*HEADER    OXIDOREDUCTASE                          22-MAY-02   1LUD              
*TITLE     SOLUTION STRUCTURE OF DIHYDROFOLATE REDUCTASE COMPLEXED               
*TITLE    2 WITH TRIMETHOPRIM AND NADPH, 24 STRUCTURES                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DIHYDROFOLATE REDUCTASE;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 EC: 1.5.1.3;                                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI;                            
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: NF1;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PMT702                                    
*KEYWDS    DHFR, INHIBITOR/ENZYME COMPLEX                                        
*EXPDTA    NMR, 24 STRUCTURES                                                    
*AUTHOR    V.I.POLSHAKOV, E.G.SMIRNOV, B.BIRDSALL, G.KELLY, J.FEENEY             
*REVDAT   1   18-DEC-02 1LUD    0                                                

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assign (resid 113 and name hn  ) (resid 158 and name hn  )  4.5  4.5  0.0 !3D 3937
assign (resid 113 and name hn  ) (resid 160 and name hn  )  5.5  5.5  0.0 !3D 3886
assign (resid 115 and name hn  ) (resid 156 and name hn  )  4.5  4.5  0.0 !3D 4066
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assign (resid 137 and name hn  ) (resid 159 and name hn  )  3.5  3.5  0.0 !3D 4381
assign (resid 137 and name hn  ) (resid 161 and name hn  )  5.5  5.5  0.0 !3D 2203
assign (resid 139 and name hn  ) (resid 157 and name hn  )  5.5  5.5  0.0 !3D 4008
assign (resid 139 and name hn  ) (resid 159 and name hn  )  5.5  5.5  0.0 !3D 3925
assign (resid 140 and name hn  ) (resid 157 and name hn  )  4.5  4.5  0.0 !3D 3006
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assign (resid 144 and name hn  ) (resid 153 and name hn  )  5.5  5.5  0.0 !3D 3801
assign (resid 146 and name hn  ) (resid 152 and name hn  )  5.5  5.5  0.0 !3D 3948
!HN(i) - Ha(j)
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assign (resid   2 and name hn  ) (resid  95 and name ha  )  3.5  3.5  0.0 !3D 639 
assign (resid   2 and name ha  ) (resid 111 and name hn  )  5.5  5.5  0.0 !3D 4044
assign (resid   2 and name ha  ) (resid 112 and name hn  )  3.5  3.5  0.0 !3D 1437
assign (resid   3 and name ha  ) (resid  96 and name hn  )  3.5  3.5  0.0 !3D 127 
assign (resid   3 and name hn  ) (resid 113 and name ha  )  3.5  3.5  0.0 !3D 540 
assign (resid   4 and name hn  ) (resid  97 and name ha  )  4.5  4.5  0.0 !3D 726 
assign (resid   4 and name ha  ) (resid 114 and name hn  )  4.0  4.0  0.0 !3D 259 
assign (resid   5 and name hn  ) (resid 115 and name ha  )  3.5  3.5  0.0 !3D 326 
assign (resid   6 and name ha  ) (resid 116 and name hn  )  3.5  3.5  0.0 !3D 619 
assign (resid   7 and name hn  ) (resid 117 and name ha  )  4.5  4.5  0.0 !3D 2267
assign (resid   8 and name hn  ) (resid  13 and name ha  )  5.5  5.5  0.0 !3D 4168
assign (resid   9 and name hn  ) (resid 119 and name ha  )  5.5  5.5  0.0 !3D 4391
assign (resid   9 and name hn  ) (resid 121 and name ha  )  4.5  4.5  0.0 !3D 2875
assign (resid  11 and name ha* ) (resid 128 and name hn  )  5.5  5.5  0.0 !3D 4200
assign (resid  12 and name ha  ) (resid 128 and name hn  )  4.5  4.5  0.0 !3D 440 
assign (resid  12 and name hn  ) (resid 127 and name ha  )  5.5  5.5  0.0 !3D 3924
assign (resid  12 and name ha  ) (resid 127 and name hn  )  5.5  5.5  0.0 !3D 3836
assign (resid  13 and name hn  ) (resid 127 and name ha  )  3.5  3.5  0.0 !3D 2312
assign (resid  14 and name hn  ) (resid 127 and name ha  )  5.5  5.5  0.0 !3D 4567
assign (resid  15 and name ha  ) (resid 125 and name hn  )  4.0  4.0  0.0 !3D 2484
assign (resid  15 and name ha  ) (resid 126 and name hn  )  4.5  4.5  0.0 !3D 4325
assign (resid  36 and name hn  ) (resid  57 and name ha  )  3.5  3.5  0.0 !3D 2235
assign (resid  37 and name hn  ) (resid  57 and name ha  )  4.5  4.5  0.0 !3D 4150
assign (resid  37 and name ha  ) (resid  93 and name hn  )  4.5  4.5  0.0 !3D 969 
assign (resid  38 and name hn  ) (resid  94 and name ha  )  4.5  4.5  0.0 !3D 883 
assign (resid  35 and name ha  ) (resid  57 and name hn  )  6.5  6.5  0.0 !3D 4442
assign (resid  35 and name ha  ) (resid  57 and name hb* )  4.5  4.5  0.0 !2D 2465
assign (resid  38 and name ha  ) (resid  58 and name hn  )  5.5  5.5  0.0 !3D 919 
assign (resid  39 and name ha  ) (resid  95 and name hn  )  4.5  4.5  0.0 !3D 234 
assign (resid  40 and name ha  ) (resid  60 and name hn  )  3.5  3.5  0.0 !3D 388 
assign (resid  40 and name hn  ) (resid  96 and name ha  )  3.5  3.5  0.0 !3D 4592
assign (resid  41 and name hn  ) (resid  61 and name ha  )  4.0  4.0  0.0 !3D 482 
assign (resid  41 and name ha  ) (resid  97 and name hn  )  5.5  5.5  0.0 !3D 3839
assign (resid  41 and name ha  ) (resid  98 and name hn  )  5.5  5.5  0.0 !3D 4587
assign (resid  41 and name ha  ) (resid  99 and name hn  )  5.5  5.5  0.0 !3D 4616
assign (resid  42 and name ha* ) (resid  62 and name hn  )  3.5  3.5  0.0 !3D 1525
assign (resid  42 and name ha* ) (resid 102 and name hn  )  5.5  5.5  0.0 !3D 3943
assign (resid  43 and name hn  ) (resid  63 and name ha  )  5.5  5.5  0.0 !3D 4188
assign (resid  61 and name hn  ) (resid  75 and name ha  )  4.0  4.0  0.0 !3D 695 
assign (resid  63 and name hn  ) (resid  77 and name ha  )  3.5  3.5  0.0 !3D 1158
assign (resid  60 and name ha  ) (resid  75 and name hn  )  6.0  6.0  0.0 !3D 3847
assign (resid  98 and name ha* ) (resid 103 and name hn  )  5.5  5.5  0.0 !3D 4088
assign (resid 111 and name ha  ) (resid 160 and name hn  )  4.5  4.5  0.0 !3D 3887
assign (resid 112 and name ha  ) (resid 158 and name hn  )  5.5  5.5  0.0 !3D 3855
assign (resid 113 and name hn  ) (resid 157 and name ha  )  5.5  5.5  0.0 !3D 4604
assign (resid 114 and name ha  ) (resid 158 and name hn  )  5.5  5.5  0.0 !3D 3854
assign (resid 115 and name hn  ) (resid 157 and name ha  )  5.5  5.5  0.0 !3D 4065
assign (resid 116 and name ha  ) (resid 156 and name hn  )  4.5  4.5  0.0 !3D 158 
assign (resid 117 and name hn  ) (resid 155 and name ha  )  5.5  5.5  0.0 !3D 330 
assign (resid 118 and name ha  ) (resid 154 and name hn  )  4.5  4.5  0.0 !3D 2462
assign (resid 119 and name hn  ) (resid 153 and name ha  )  4.5  4.5  0.0 !3D 4116
assign (resid 120 and name hn  ) (resid 150 and name ha  )  4.5  4.5  0.0 !3D 2665
assign (resid 121 and name hn  ) (resid 150 and name ha  )  5.5  5.5  0.0 !3D 3788
assign (resid 136 and name ha  ) (resid 161 and name hn  )  3.5  3.5  0.0 !3D 774 
assign (resid 137 and name hn  ) (resid 158 and name ha  )  5.5  5.5  0.0 !3D 4380
assign (resid 137 and name hn  ) (resid 160 and name ha  )  4.5  4.5  0.0 !3D 2209
assign (resid 138 and name ha  ) (resid 159 and name hn  )  4.5  4.5  0.0 !3D 215 
assign (resid 138 and name hn  ) (resid 158 and name ha  )  5.5  5.5  0.0 !3D 3806
assign (resid 139 and name hn  ) (resid 158 and name ha  )  4.0  4.0  0.0 !3D 368 
assign (resid 140 and name hn  ) (resid 156 and name ha  )  5.5  5.5  0.0 !3D 3000
assign (resid 140 and name hn  ) (resid 158 and name ha  )  5.5  5.5  0.0 !3D 4437
assign (resid 142 and name hn  ) (resid 154 and name ha  )  6.0  6.0  0.0 !3D 3927
assign (resid 143 and name hn  ) (resid 154 and name ha  )  6.5  6.5  0.0 !3D 3957
assign (resid 144 and name hn  ) (resid 154 and name ha  )  4.5  4.5  0.0 !3D 3815
assign (resid 146 and name hn  ) (resid 152 and name ha  )  3.5  3.5  0.0 !3D 1077
assign (resid 145 and name ha  ) (resid 153 and name hn  )  4.5  4.5  0.0 !3D 3798
assign (resid 143 and name ha  ) (resid 155 and name hn  )  5.0  5.0  0.0 !3D 438 
!Ha(i) - Ha(j)
assign (resid   2 and name ha  ) (resid 112 and name ha  )  5.5  5.5  0.0 !2D 1254
assign (resid   4 and name ha  ) (resid 114 and name ha  )  5.5  5.5  0.0 !2D 5795
assign (resid   6 and name ha  ) (resid 115 and name ha  )  5.5  5.5  0.0 !2D 5805
assign (resid   6 and name ha  ) (resid 116 and name ha  )  5.5  5.5  0.0 !2D 5806
assign (resid   7 and name ha  ) (resid  13 and name ha  )  3.5  3.5  0.0 !2D 4169
assign (resid  12 and name ha  ) (resid 127 and name ha  )  3.0  3.0  0.0 !2D 1367
assign (resid  41 and name ha  ) (resid  96 and name ha  )  6.0  6.0  0.0 !2D 5779
assign (resid  62 and name ha  ) (resid  77 and name ha  )  4.5  4.5  0.0 !2D 1183
assign (resid 118 and name ha  ) (resid 153 and name ha  )  3.5  3.5  0.0 !2D 1199
assign (resid 119 and name ha  ) (resid 153 and name ha  )  6.5  6.5  0.0 !2D 5775
assign (resid 136 and name ha  ) (resid 160 and name ha  )  3.0  3.0  0.0 !2D 1333
assign (resid 138 and name ha  ) (resid 158 and name ha  )  2.5  2.5  0.0 !2D 1147
!Water NOEs
! Other long-range NOEs
assign (resid   1 and name hg2*) (resid  83 and name he* )  4.5  4.5  0.0 !2D 263 
assign (resid   1 and name hg2*) (resid  96 and name hn  )  5.5  5.5  0.0 !3D 3843
assign (resid   1 and name hg2*) (resid  83 and name hd* )  5.5  5.5  0.0 !2D 290 
assign (resid   1 and name hg2*) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5567
assign (resid   1 and name hg2*) (resid 106 and name hd* )  4.5  4.5  0.0 !2D 192 
assign (resid   1 and name hb  ) (resid 110 and name ha  )  3.5  3.5  0.0 !2D 2269
assign (resid   1 and name hb  ) (resid 111 and name hn  )  4.5  4.5  0.0 !3D 792 
assign (resid   1 and name hg2*) (resid 111 and name hn  )  5.5  5.5  0.0 !3D 800 
assign (resid   2 and name hn  ) (resid  93 and name hb1 )  6.0  6.0  0.0 !3D 3802
assign (resid   2 and name hn  ) (resid  94 and name hg  )  5.5  5.5  0.0 !3D 3803
assign (resid   2 and name hn  ) (resid  95 and name hg* )  4.5  4.5  0.0 !3D 3666
assign (resid   2 and name ha  ) (resid 110 and name hg1*)  4.5  4.5  0.0 !2D 1122
assign (resid   2 and name hb* ) (resid 112 and name ha  )  5.5  5.5  0.0 !2D 1247
assign (resid   2 and name ha  ) (resid 112 and name hg2*)  5.5  5.5  0.0 !2D 1119
assign (resid   2 and name hb* ) (resid 112 and name hn  )  4.5  4.5  0.0 !3D 1446
assign (resid   2 and name ha  ) (resid 112 and name hb  )  3.5  3.5  0.0 !2D 1117
assign (resid   2 and name ha  ) (resid 113 and name hg  )  6.5  6.5  0.0 !2D 5762
assign (resid   2 and name ha  ) (resid 113 and name hd2*)  5.5  5.5  0.0 !2D 5761
assign (resid   2 and name ha  ) (resid 114 and name hd1*)  5.5  5.5  0.0 !2D 1120
assign (resid   3 and name hd* ) (resid  96 and name hb  )  4.5  4.5  0.0 !2D 811 
assign (resid   3 and name ha  ) (resid  96 and name hb  )  3.5  3.5  0.0 !2D 1159
assign (resid   3 and name ha  ) (resid  96 and name hg1*)  4.0  4.0  0.0 !2D 5842
assign (resid   3 and name ha  ) (resid  96 and name hg2*)  4.5  4.5  0.0 !2D 1161
assign (resid   3 and name ha  ) (resid  96 and name hd1*)  6.5  6.5  0.0 !2D 5840
assign (resid   3 and name hd* ) (resid  96 and name hg1*)  4.5  4.5  0.0 !2D 821 
assign (resid   3 and name hd* ) (resid  96 and name hg2*)  4.5  4.5  0.0 !2D 815 
assign (resid   3 and name hd* ) (resid  96 and name hn  )  4.5  4.5  0.0 !3D 126 
assign (resid   3 and name hd* ) (resid  96 and name hd1*)  5.5  5.5  0.0 !2D 824 
assign (resid   3 and name he* ) (resid  96 and name hd1*)  5.5  5.5  0.0 !2D 595 
assign (resid   3 and name hb1 ) (resid 103 and name he* )  4.0  4.0  0.0 !2D 728 
assign (resid   3 and name hz  ) (resid 104 and name ha  )  5.5  5.5  0.0 !2D 5821
assign (resid   3 and name hz  ) (resid 106 and name hb1 )  4.5  4.5  0.0 !2D 217 
assign (resid   3 and name he* ) (resid 106 and name hn  )  5.5  5.5  0.0 !3D 3782
assign (resid   3 and name hz  ) (resid 106 and name hb2 )  3.5  3.5  0.0 !2D 225 
assign (resid   3 and name hz  ) (resid 107 and name ha  )  3.5  3.5  0.0 !2D 224 
assign (resid   3 and name he* ) (resid 107 and name hn  )  5.5  5.5  0.0 !3D 4155
assign (resid   3 and name he* ) (resid 107 and name ha  )  4.5  4.5  0.0 !2D 584 
assign (resid   3 and name hn  ) (resid 110 and name hg1*)  3.5  3.5  0.0 !3D 553 
assign (resid   3 and name hb* ) (resid 110 and name hg1*)  4.5  4.5  0.0 !2D 5273
assign (resid   3 and name hd* ) (resid 110 and name hb  )  6.0  6.0  0.0 !2D 822 
assign (resid   3 and name hz  ) (resid 110 and name hg2*)  4.5  4.5  0.0 !2D 228 
assign (resid   3 and name hn  ) (resid 112 and name hb  )  4.5  4.5  0.0 !3D 4079
assign (resid   3 and name hn  ) (resid 112 and name hg2*)  5.5  5.5  0.0 !3D 4078
assign (resid   3 and name ha  ) (resid 113 and name hd2*)  5.5  5.5  0.0 !2D 1157
assign (resid   3 and name hb1 ) (resid 113 and name hd2*)  4.5  4.5  0.0 !2D 5400
assign (resid   3 and name hb2 ) (resid 113 and name hd2*)  3.0  3.0  0.0 !2D 5399
assign (resid   3 and name hb2 ) (resid 113 and name ha  )  5.5  5.5  0.0 !2D 2789
assign (resid   3 and name hn  ) (resid 113 and name hg  )  6.0  6.0  0.0 !3D 4077
assign (resid   3 and name hn  ) (resid 113 and name hd2*)  3.5  3.5  0.0 !3D 554 
assign (resid   3 and name hb1 ) (resid 114 and name hn  )  5.5  5.5  0.0 !3D 3909
assign (resid   3 and name hb2 ) (resid 114 and name hn  )  3.5  3.5  0.0 !3D 3909
assign (resid   3 and name ha  ) (resid 128 and name he* )  6.5  6.5  0.0 !2D 5841
assign (resid   3 and name hb1 ) (resid 128 and name he* )  5.5  5.5  0.0 !2D 5605
assign (resid   3 and name hb2 ) (resid 128 and name he* )  5.5  5.5  0.0 !2D 5604
assign (resid   3 and name he* ) (resid 128 and name he* )  3.5  3.5  0.0 !2D 586 
assign (resid   3 and name hd* ) (resid 128 and name he* )  3.5  3.5  0.0 !2D 825 
assign (resid   3 and name hd* ) (resid 129 and name hd1*)  4.5  4.5  0.0 !2D 5889
assign (resid   3 and name hd* ) (resid 131 and name hb**)  5.5  5.5  0.0 !2D 5890
assign (resid   3 and name hd* ) (resid 131 and name hd1*)  4.5  4.5  0.0 !2D 5498
assign (resid   3 and name he* ) (resid 131 and name hd1*)  5.5  5.5  0.0 !2D 5497
assign (resid   4 and name hd1*) (resid  29 and name hd* )  4.5  4.5  0.0 !2D 795 
assign (resid   4 and name hd1*) (resid  29 and name he* )  3.5  3.5  0.0 !2D 886 
assign (resid   4 and name hg  ) (resid  30 and name hd* )  3.5  3.5  0.0 !2D 666 
assign (resid   4 and name hd2*) (resid  30 and name hd* )  3.5  3.5  0.0 !2D 668 
assign (resid   4 and name hg  ) (resid  30 and name he* )  3.5  3.5  0.0 !2D 483 
assign (resid   4 and name hd1*) (resid  30 and name he* )  5.0  5.0  0.0 !2D 486 
assign (resid   4 and name hd1*) (resid  30 and name hd* )  4.0  4.0  0.0 !2D 679 
assign (resid   4 and name hd1*) (resid  33 and name hb1 )  5.5  5.5  0.0 !3D 4131
assign (resid   4 and name hd2*) (resid  34 and name hn  )  5.5  5.5  0.0 !3D 4569
assign (resid   4 and name hn  ) (resid  95 and name hg* )  5.5  5.5  0.0 !3D 760 
assign (resid   4 and name hn  ) (resid  96 and name hb  )  4.5  4.5  0.0 !3D 3715
assign (resid   4 and name hb2 ) (resid  97 and name ha  )  5.5  5.5  0.0 !2D 5799
assign (resid   4 and name hd2*) (resid  97 and name ha  )  4.5  4.5  0.0 !2D 1241
assign (resid   4 and name hb1 ) (resid  97 and name ha  )  3.5  3.5  0.0 !2D 1239
assign (resid   4 and name hg  ) (resid  97 and name ha  )  4.5  4.5  0.0 !2D 1242
assign (resid   4 and name hn  ) (resid 103 and name hz  )  4.5  4.5  0.0 !3D 3930
assign (resid   4 and name hn  ) (resid 103 and name he* )  3.5  3.5  0.0 !3D 749 
assign (resid   4 and name ha  ) (resid 114 and name hg  )  5.0  5.0  0.0 !2D 1090
assign (resid   4 and name ha  ) (resid 114 and name hb2 )  3.5  3.5  0.0 !2D 1096
assign (resid   4 and name ha  ) (resid 114 and name hd1*)  3.5  3.5  0.0 !2D 1098
assign (resid   4 and name ha  ) (resid 114 and name hb1 )  4.0  4.0  0.0 !2D 1087
assign (resid   5 and name ha  ) (resid  13 and name hd1*)  6.5  6.5  0.0 !2D 5770
assign (resid   5 and name he1 ) (resid  13 and name hg2*)  4.5  4.5  0.0 !2D 70  
assign (resid   5 and name hd1 ) (resid  13 and name hg2*)  3.0  3.0  0.0 !2D 713 
assign (resid   5 and name hz3 ) (resid 113 and name hd1*)  5.5  5.5  0.0 !2D 854 
assign (resid   5 and name ha  ) (resid 103 and name hz  )  5.5  5.5  0.0 !2D 202 
assign (resid   5 and name hb1 ) (resid 103 and name hz  )  3.5  3.5  0.0 !2D 201 
assign (resid   5 and name hh2 ) (resid 113 and name hd1*)  4.0  4.0  0.0 !2D 922 
assign (resid   5 and name he3 ) (resid 113 and name ha  )  5.5  5.5  0.0 !2D 491 
assign (resid   5 and name hz3 ) (resid 113 and name hb2 )  5.0  5.0  0.0 !2D 852 
assign (resid   5 and name hz3 ) (resid 113 and name hb1 )  3.5  3.5  0.0 !2D 839 
assign (resid   5 and name hz3 ) (resid 113 and name ha  )  3.5  3.5  0.0 !2D 848 
assign (resid   5 and name hz2 ) (resid 113 and name hd1*)  5.5  5.5  0.0 !2D 364 
assign (resid   5 and name hz3 ) (resid 114 and name hn  )  4.5  4.5  0.0 !3D 258 
assign (resid   5 and name hn  ) (resid 114 and name hb* )  5.5  5.5  0.0 !3D 327 
assign (resid   5 and name he3 ) (resid 114 and name hn  )  5.5  5.5  0.0 !3D 3908
assign (resid   5 and name he3 ) (resid 115 and name ha  )  4.5  4.5  0.0 !2D 498 
assign (resid   5 and name hz2 ) (resid 115 and name hg2*)  3.5  3.5  0.0 !2D 357 
assign (resid   5 and name hd1 ) (resid 115 and name hg2*)  5.5  5.5  0.0 !2D 5516
assign (resid   5 and name hz2 ) (resid 115 and name hg1*)  5.5  5.5  0.0 !2D 356 
assign (resid   5 and name hh2 ) (resid 115 and name hb  )  3.5  3.5  0.0 !2D 925 
assign (resid   5 and name hh2 ) (resid 115 and name hg2*)  4.5  4.5  0.0 !2D 5503
assign (resid   5 and name hz3 ) (resid 115 and name hg2*)  5.5  5.5  0.0 !2D 5502
assign (resid   5 and name he1 ) (resid 115 and name hg2*)  3.5  3.5  0.0 !2D 75  
assign (resid   5 and name hz3 ) (resid 128 and name he* )  4.5  4.5  0.0 !2D 862 
assign (resid   5 and name hd1 ) (resid 128 and name hb2 )  4.0  4.0  0.0 !2D 710 
assign (resid   5 and name hd1 ) (resid 128 and name hg1 )  4.5  4.5  0.0 !2D 708 
assign (resid   5 and name hb* ) (resid 128 and name he* )  5.5  5.5  0.0 !2D 5736
assign (resid   5 and name hh2 ) (resid 128 and name he* )  4.5  4.5  0.0 !2D 921 
assign (resid   5 and name hz2 ) (resid 128 and name he* )  4.5  4.5  0.0 !2D 358 
assign (resid   5 and name hz2 ) (resid 128 and name hg1 )  5.0  5.0  0.0 !2D 355 
assign (resid   5 and name he1 ) (resid 128 and name hb2 )  3.5  3.5  0.0 !2D 61  
assign (resid   5 and name he1 ) (resid 128 and name hb1 )  4.5  4.5  0.0 !2D 62  
assign (resid   5 and name he1 ) (resid 128 and name hg1 )  3.5  3.5  0.0 !2D 59  
assign (resid   5 and name he3 ) (resid 128 and name he* )  4.5  4.5  0.0 !2D 503 
assign (resid   5 and name hz2 ) (resid 128 and name hb2 )  6.0  6.0  0.0 !2D 344 
assign (resid   5 and name he1 ) (resid 128 and name he* )  4.5  4.5  0.0 !2D 76  
assign (resid   5 and name hz2 ) (resid 131 and name hb2 )  5.5  5.5  0.0 !2D 346 
assign (resid   5 and name he1 ) (resid 133 and name hz2 )  5.5  5.5  0.0 !2D 12  
assign (resid   6 and name hn  ) (resid  13 and name hg2*)  5.5  5.5  0.0 !3D 4337
assign (resid   6 and name hb* ) (resid  13 and name ha  )  6.5  6.5  0.0 !3D 1307
assign (resid   6 and name hb* ) (resid  21 and name hh2 )  4.5  4.5  0.0 !2D 237 
assign (resid   6 and name hb* ) (resid  21 and name he1 )  4.5  4.5  0.0 !2D 66  
assign (resid   6 and name hb* ) (resid  21 and name hz2 )  3.5  3.5  0.0 !2D 576 
assign (resid   6 and name ha  ) (resid 115 and name hg2*)  4.5  4.5  0.0 !2D 1274
assign (resid   6 and name ha  ) (resid 116 and name hg2*)  4.5  4.5  0.0 !2D 1273
assign (resid   6 and name ha  ) (resid 116 and name hb  )  3.0  3.0  0.0 !2D 1271
assign (resid   6 and name hb* ) (resid 116 and name hn  )  5.5  5.5  0.0 !3D 627 
assign (resid   6 and name hb* ) (resid 116 and name hg2*)  4.5  4.5  0.0 !3D 5191
assign (resid   6 and name hb* ) (resid 118 and name hd1*)  4.5  4.5  0.0 !2D 5624
assign (resid   6 and name ha  ) (resid 118 and name hd1*)  5.5  5.5  0.0 !2D 1275
assign (resid   7 and name hn  ) (resid  13 and name hg2*)  5.5  5.5  0.0 !3D 4408
assign (resid   7 and name ha  ) (resid  13 and name hg2*)  3.5  3.5  0.0 !2D 1057
assign (resid   7 and name ha  ) (resid  21 and name hh2 )  3.5  3.5  0.0 !2D 235 
assign (resid   7 and name hn  ) (resid 115 and name hg1*)  6.0  6.0  0.0 !3D 4407
assign (resid   7 and name hn  ) (resid 115 and name hg2*)  4.5  4.5  0.0 !3D 4406
assign (resid   7 and name hn  ) (resid 116 and name hb  )  4.5  4.5  0.0 !3D 2268
assign (resid   7 and name ha  ) (resid 118 and name hd1*)  4.5  4.5  0.0 !2D 1051
assign (resid   7 and name hn  ) (resid 118 and name hd1*)  4.5  4.5  0.0 !3D 2272
assign (resid   7 and name hg* ) (resid 118 and name hn  )  5.5  5.5  0.0 !3D 3823
assign (resid   7 and name hb* ) (resid 118 and name hn  )  5.5  5.5  0.0 !3D 3822
assign (resid   8 and name hn  ) (resid  13 and name hg2*)  5.5  5.5  0.0 !3D 4158
assign (resid   8 and name hn  ) (resid  21 and name hz3 )  5.0  5.0  0.0 !3D 882 
assign (resid   8 and name hn  ) (resid  21 and name hh2 )  4.5  4.5  0.0 !3D 913 
assign (resid   8 and name hb1 ) (resid 122 and name hn  )  5.5  5.5  0.0 !3D 132 
assign (resid   8 and name hb1 ) (resid 122 and name hd* )  3.5  3.5  0.0 !2D 210 
assign (resid   8 and name hb2 ) (resid 122 and name he* )  4.0  4.0  0.0 !2D 459 
assign (resid   9 and name hn  ) (resid 117 and name hb* )  6.5  6.5  0.0 !3D 4388
assign (resid   9 and name hn  ) (resid 118 and name hb1 )  5.5  5.5  0.0 !3D 4387
assign (resid   9 and name hg1 ) (resid 121 and name ha  )  4.5  4.5  0.0 !2D 1380
assign (resid  12 and name hd2*) (resid  21 and name he3 )  4.5  4.5  0.0 !2D 1116
assign (resid  12 and name hb* ) (resid  21 and name hz3 )  4.5  4.5  0.0 !2D 909 
assign (resid  12 and name hd1*) (resid  21 and name hz3 )  5.5  5.5  0.0 !2D 912 
assign (resid  12 and name hd2*) (resid 122 and name hn  )  5.0  5.0  0.0 !3D 139 
assign (resid  12 and name hd2*) (resid 123 and name hn  )  4.5  4.5  0.0 !3D 1116
assign (resid  12 and name hd2*) (resid 124 and name hn  )  3.5  3.5  0.0 !3D 2571
assign (resid  12 and name hb* ) (resid 124 and name hn  )  5.5  5.5  0.0 !3D 4559
assign (resid  12 and name hd1*) (resid 124 and name hn  )  3.5  3.5  0.0 !3D 2570
assign (resid  12 and name hd1*) (resid 125 and name hn  )  3.5  3.5  0.0 !3D 2487
assign (resid  12 and name hb* ) (resid 125 and name hn  )  6.5  6.5  0.0 !3D 2486
assign (resid  12 and name hd2*) (resid 125 and name hn  )  4.5  4.5  0.0 !3D 4382
assign (resid  12 and name hg  ) (resid 126 and name hn  )  5.5  5.5  0.0 !3D 4336
assign (resid  12 and name hd1*) (resid 126 and name hn  )  4.5  4.5  0.0 !3D 4333
assign (resid  12 and name hd2*) (resid 126 and name hn  )  5.5  5.5  0.0 !3D 4334
assign (resid  12 and name hd1*) (resid 128 and name hn  )  5.5  5.5  0.0 !3D 4194
assign (resid  13 and name ha  ) (resid  21 and name hh2 )  3.5  3.5  0.0 !2D 236 
assign (resid  13 and name ha  ) (resid  21 and name hz3 )  4.5  4.5  0.0 !2D 1303
assign (resid  13 and name hg2*) (resid  21 and name hh2 )  4.5  4.5  0.0 !2D 5822
assign (resid  13 and name hb  ) (resid  21 and name hh2 )  5.5  5.5  0.0 !2D 5823
assign (resid  13 and name hd1*) (resid 100 and name hn  )  4.5  4.5  0.0 !3D 2054
assign (resid  13 and name hd1*) (resid 103 and name hd* )  5.5  5.5  0.0 !3D 1173
assign (resid  13 and name hn  ) (resid 126 and name hb  )  5.5  5.5  0.0 !3D 4449
assign (resid  13 and name hg1*) (resid 126 and name hb  )  4.5  4.5  0.0 !2D 2523
assign (resid  13 and name hg2*) (resid 127 and name ha  )  4.0  4.0  0.0 !2D 4170
assign (resid  13 and name hd1*) (resid 128 and name ha  )  4.5  4.5  0.0 !2D 4852
assign (resid  13 and name hd1*) (resid 128 and name hn  )  5.5  5.5  0.0 !3D 4193
assign (resid  13 and name hg1*) (resid 128 and name hn  )  5.5  5.5  0.0 !3D 4195
assign (resid  14 and name hn  ) (resid 126 and name hb  )  3.5  3.5  0.0 !3D 2827
assign (resid  15 and name hn  ) (resid  20 and name hd1 )  5.5  5.5  0.0 !3D 4027
assign (resid  15 and name hn  ) (resid  20 and name hg1 )  4.5  4.5  0.0 !3D 664 
assign (resid  15 and name hg* ) (resid 124 and name hn  )  5.5  5.5  0.0 !3D 4561
assign (resid  15 and name hg* ) (resid 124 and name ha1 )  4.5  4.5  0.0 !2D 2031
assign (resid  15 and name hg* ) (resid 124 and name ha2 )  4.5  4.5  0.0 !2D 2200
assign (resid  15 and name hg* ) (resid 125 and name hn  )  4.5  4.5  0.0 !3D 4383
assign (resid  15 and name hn  ) (resid 126 and name hb  )  6.0  6.0  0.0 !3D 4028
assign (resid  18 and name ha  ) (resid  48 and name hb* )  6.5  6.5  0.0 !2D 5843
assign (resid  20 and name hb* ) (resid 122 and name hd* )  4.5  4.5  0.0 !2D 214 
assign (resid  20 and name hb* ) (resid 122 and name hb1 )  3.5  3.5  0.0 !2D 3053
assign (resid  20 and name hb1 ) (resid 123 and name hn  )  5.5  5.5  0.0 !2D 4215
assign (resid  20 and name hb2 ) (resid 123 and name hn  )  5.5  5.5  0.0 !2D 4214
assign (resid  21 and name hd1 ) (resid  26 and name hb* )  5.5  5.5  0.0 !2D 5886
assign (resid  21 and name hb1 ) (resid 118 and name hd2*)  5.5  5.5  0.0 !2D 5648
assign (resid  21 and name hd1 ) (resid 118 and name hd2*)  4.5  4.5  0.0 !2D 1017
assign (resid  21 and name hd1 ) (resid 118 and name hd1*)  6.0  6.0  0.0 !2D 1016
assign (resid  21 and name he1 ) (resid 118 and name hd2*)  4.5  4.5  0.0 !2D 113 
assign (resid  21 and name he3 ) (resid 118 and name hd2*)  4.5  4.5  0.0 !2D 1112
assign (resid  21 and name he1 ) (resid 118 and name hd1*)  4.5  4.5  0.0 !2D 112 
assign (resid  21 and name he3 ) (resid 118 and name hd1*)  6.5  6.5  0.0 !2D 5696
assign (resid  21 and name hz2 ) (resid 118 and name hd2*)  4.5  4.5  0.0 !2D 5682
assign (resid  21 and name he3 ) (resid 122 and name hb2 )  4.5  4.5  0.0 !2D 1114
assign (resid  21 and name he3 ) (resid 122 and name hd* )  3.5  3.5  0.0 !2D 205 
assign (resid  21 and name he3 ) (resid 122 and name he* )  4.5  4.5  0.0 !2D 463 
assign (resid  21 and name he3 ) (resid 122 and name hb* )  3.5  3.5  0.0 !2D 1106
assign (resid  21 and name hb1 ) (resid 122 and name hz  )  3.5  3.5  0.0 !2D 547 
assign (resid  21 and name hz3 ) (resid 122 and name hb2 )  5.5  5.5  0.0 !2D 5846
assign (resid  21 and name hb2 ) (resid 151 and name hd2*)  3.5  3.5  0.0 !2D 3477
assign (resid  21 and name hd1 ) (resid 151 and name hd1*)  6.5  6.5  0.0 !2D 5693
assign (resid  21 and name hd1 ) (resid 151 and name hd2*)  4.5  4.5  0.0 !2D 1012
assign (resid  22 and name hn  ) (resid 151 and name hd2*)  4.5  4.5  0.0 !3D 4597
assign (resid  23 and name hd2*) (resid 118 and name hd2*)  3.5  3.5  0.0 !2D 5655
assign (resid  23 and name hd1*) (resid 153 and name hd2 )  6.0  6.0  0.0 !2D 5763
assign (resid  23 and name hd1*) (resid 153 and name he1 )  3.5  3.5  0.0 !2D 19  
assign (resid  23 and name hd2*) (resid 153 and name he1 )  4.5  4.5  0.0 !2D 21  
assign (resid  23 and name hd2*) (resid 153 and name hd2 )  4.5  4.5  0.0 !2D 1131
assign (resid  23 and name hd2*) (resid 153 and name ha  )  5.5  5.5  0.0 !2D 1207
assign (resid  23 and name hd2*) (resid 153 and name hb1 )  3.5  3.5  0.0 !2D 3537
assign (resid  25 and name hb* ) (resid 153 and name he1 )  3.5  3.5  0.0 !2D 14  
assign (resid  26 and name ha  ) (resid 116 and name hg2*)  4.5  4.5  0.0 !2D 1328
assign (resid  26 and name ha  ) (resid 155 and name he* )  4.0  4.0  0.0 !2D 961 
assign (resid  26 and name hb2 ) (resid 153 and name hd2 )  5.5  5.5  0.0 !2D 1133
assign (resid  26 and name hb2 ) (resid 155 and name he* )  5.5  5.5  0.0 !2D 970 
assign (resid  29 and name he* ) (resid 114 and name hb2 )  5.0  5.0  0.0 !2D 877 
assign (resid  29 and name he* ) (resid 114 and name hd2*)  4.5  4.5  0.0 !2D 878 
assign (resid  29 and name hd* ) (resid 116 and name hb  )  5.5  5.5  0.0 !2D 5702
assign (resid  29 and name he* ) (resid 155 and name ha  )  5.5  5.5  0.0 !2D 881 
assign (resid  29 and name he* ) (resid 155 and name hb2 )  4.5  4.5  0.0 !2D 882 
assign (resid  29 and name he* ) (resid 155 and name hb1 )  3.5  3.5  0.0 !2D 883 
assign (resid  30 and name hz  ) (resid  41 and name hg* )  5.5  5.5  0.0 !2D 5817
assign (resid  30 and name hz  ) (resid  49 and name hz  )  4.5  4.5  0.0 !2D 295 
assign (resid  30 and name he* ) (resid  54 and name hd1*)  4.5  4.5  0.0 !2D 474 
assign (resid  30 and name he* ) (resid  54 and name hd2*)  4.5  4.5  0.0 !2D 488 
assign (resid  30 and name hz  ) (resid  54 and name hd1*)  5.0  5.0  0.0 !2D 331 
assign (resid  30 and name hz  ) (resid  97 and name hb* )  3.5  3.5  0.0 !2D 330 
assign (resid  30 and name he* ) (resid  97 and name ha  )  4.5  4.5  0.0 !2D 478 
assign (resid  30 and name he* ) (resid  97 and name hb* )  3.5  3.5  0.0 !2D 472 
assign (resid  34 and name hb  ) (resid  39 and name hb2 )  5.5  5.5  0.0 !2D 2491
assign (resid  34 and name hb  ) (resid  54 and name hd1*)  5.5  5.5  0.0 !2D 5367
assign (resid  34 and name hg1 ) (resid  54 and name hd1*)  5.5  5.5  0.0 !2D 2602
assign (resid  35 and name hg* ) (resid  57 and name he  )  5.5  5.5  0.0 !3D 2098
assign (resid  35 and name ha  ) (resid  57 and name he  )  5.5  5.5  0.0 !3D 4286
assign (resid  35 and name hg* ) (resid  57 and name hn  )  6.5  6.5  0.0 !3D 4439
assign (resid  36 and name hn  ) (resid  57 and name hb2 )  5.0  5.0  0.0 !3D 2241
assign (resid  37 and name hn  ) (resid  57 and name hb2 )  6.5  6.5  0.0 !3D 1366
assign (resid  37 and name hn  ) (resid  57 and name hb1 )  5.0  5.0  0.0 !3D 1361
assign (resid  37 and name hb1 ) (resid  93 and name hn  )  4.5  4.5  0.0 !3D 977 
assign (resid  37 and name hb2 ) (resid  93 and name hn  )  6.0  6.0  0.0 !3D 4039
assign (resid  37 and name hg* ) (resid  93 and name hn  )  3.5  3.5  0.0 !3D 983 
assign (resid  38 and name hn  ) (resid  58 and name hb  )  4.5  4.5  0.0 !3D 4362
assign (resid  38 and name ha  ) (resid  60 and name hg2*)  4.5  4.5  0.0 !3D 5388
assign (resid  38 and name hg2*) (resid  85 and name hd* )  3.5  3.5  0.0 !2D 639 
assign (resid  38 and name hd1*) (resid  85 and name he* )  3.5  3.5  0.0 !2D 950 
assign (resid  38 and name hg1*) (resid  85 and name he* )  3.5  3.5  0.0 !2D 5698
assign (resid  38 and name hd1*) (resid  85 and name hd* )  3.5  3.5  0.0 !2D 638 
assign (resid  38 and name hd1*) (resid  89 and name hn  )  4.5  4.5  0.0 !3D 4319
assign (resid  38 and name hd1*) (resid  86 and name ha  )  4.5  4.5  0.0 !2D 2257
assign (resid  38 and name hd1*) (resid  89 and name hb2 )  3.5  3.5  0.0 !2D 2688
assign (resid  38 and name ha  ) (resid  92 and name he2*)  5.5  5.5  0.0 !3D 4553
assign (resid  38 and name hd1*) (resid  92 and name he2*)  5.5  5.5  0.0 !3D 4555
assign (resid  38 and name hd1*) (resid  92 and name hn  )  5.5  5.5  0.0 !3D 4218
assign (resid  38 and name hn  ) (resid  95 and name hg* )  4.5  4.5  0.0 !3D 878 
assign (resid  38 and name hn  ) (resid  94 and name hd* )  5.5  5.5  0.0 !3D 892 
assign (resid  38 and name hb  ) (resid  94 and name ha  )  3.5  3.5  0.0 !2D 1463
assign (resid  39 and name he* ) (resid  54 and name hn  )  5.0  5.0  0.0 !3D 178 
assign (resid  39 and name hn  ) (resid  58 and name hg2*)  5.5  5.5  0.0 !3D 3677
assign (resid  39 and name he* ) (resid  59 and name hd2*)  4.5  4.5  0.0 !3D 2708
assign (resid  39 and name hn  ) (resid  60 and name hb  )  6.0  6.0  0.0 !3D 3832
assign (resid  39 and name hn  ) (resid  60 and name hg2*)  5.5  5.5  0.0 !3D 3679
assign (resid  39 and name hb* ) (resid  97 and name hn  )  6.0  6.0  0.0 !3D 3841
assign (resid  40 and name ha  ) (resid  60 and name hg2*)  4.5  4.5  0.0 !3D 5386
assign (resid  40 and name hn  ) (resid  94 and name hd* )  5.5  5.5  0.0 !3D 3827
assign (resid  40 and name hn  ) (resid  95 and name hb  )  5.5  5.5  0.0 !3D 3830
assign (resid  40 and name ha  ) (resid  60 and name hb  )  3.5  3.5  0.0 !2D 1516
assign (resid  40 and name hn  ) (resid  96 and name hd1*)  4.5  4.5  0.0 !3D 3671
assign (resid  40 and name hb  ) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5565
assign (resid  40 and name hn  ) (resid  97 and name hb2 )  4.5  4.5  0.0 !3D 4598
assign (resid  41 and name hg* ) (resid  46 and name hn  )  4.5  4.5  0.0 !3D 943 
assign (resid  41 and name hb  ) (resid  46 and name hn  )  4.5  4.5  0.0 !3D 4037
assign (resid  41 and name hg* ) (resid  49 and name he* )  3.5  3.5  0.0 !2D 1039
assign (resid  41 and name hg* ) (resid  49 and name hz  )  3.5  3.5  0.0 !2D 879 
assign (resid  41 and name hg* ) (resid  61 and name hg2*)  5.5  5.5  0.0 !3D 5876
assign (resid  41 and name hg* ) (resid  62 and name hn  )  4.5  4.5  0.0 !3D 3861
assign (resid  41 and name ha  ) (resid  62 and name hd2*)  6.5  6.5  0.0 !2D 5803
assign (resid  41 and name ha  ) (resid  97 and name hb* )  4.5  4.5  0.0 !2D 1260
assign (resid  41 and name hg* ) (resid  98 and name hn  )  5.5  5.5  0.0 !3D 4584
assign (resid  41 and name ha  ) (resid 102 and name hd1*)  5.5  5.5  0.0 !2D 5742
assign (resid  41 and name ha  ) (resid 102 and name hg1*)  4.5  4.5  0.0 !2D 1263
assign (resid  41 and name ha  ) (resid 102 and name hg2*)  4.5  4.5  0.0 !2D 1264
assign (resid  42 and name ha* ) (resid 102 and name hd1*)  3.5  3.5  0.0 !2D 5475
assign (resid  42 and name hn  ) (resid 102 and name hd1*)  4.5  4.5  0.0 !3D 4556
assign (resid  42 and name hn  ) (resid 102 and name hg2*)  4.5  4.5  0.0 !3D 2293
assign (resid  43 and name hn  ) (resid  61 and name hg1*)  5.5  5.5  0.0 !3D 1733
assign (resid  43 and name hn  ) (resid  62 and name hb* )  4.5  4.5  0.0 !3D 1732
assign (resid  43 and name hn  ) (resid  63 and name hb  )  4.5  4.5  0.0 !3D 1728
assign (resid  43 and name ha  ) (resid  63 and name hb  )  5.0  5.0  0.0 !2D 5861
assign (resid  43 and name hb* ) (resid  63 and name ha  )  3.5  3.5  0.0 !3D 3680
assign (resid  43 and name hb* ) (resid  63 and name hg1 )  4.5  4.5  0.0 !2D 2514
assign (resid  43 and name hg* ) (resid  63 and name hg1 )  4.5  4.5  0.0 !2D Nrej
assign (resid  43 and name hg* ) (resid  63 and name ha  )  5.5  5.5  0.0 !2D 4101
assign (resid  43 and name hd* ) (resid  63 and name hg1 )  5.5  5.5  0.0 !2D Nrej
assign (resid  43 and name he  ) (resid  63 and name hg1 )  3.5  3.5  0.0 !2D Nrej
assign (resid  43 and name he  ) (resid  65 and name he2*)  3.5  3.5  0.0 !3D 312 
assign (resid  43 and name hd* ) (resid  65 and name he2*)  5.0  5.0  0.0 !3D 4420
assign (resid  43 and name hg* ) (resid  68 and name hd* )  4.5  4.5  0.0 !2D 761 
assign (resid  43 and name hd* ) (resid  68 and name he* )  3.5  3.5  0.0 !2D 838 
assign (resid  43 and name hb* ) (resid  68 and name hd* )  5.5  5.5  0.0 !2D 755 
assign (resid  43 and name he  ) (resid  68 and name he* )  5.5  5.5  0.0 !3D 4212
assign (resid  43 and name hn  ) (resid 102 and name hd1*)  4.5  4.5  0.0 !3D 1734
assign (resid  43 and name hn  ) (resid 102 and name hg* )  5.5  5.5  0.0 !3D 4187
assign (resid  45 and name hg1 ) (resid  99 and name hn  )  4.5  4.5  0.0 !3D 2782
assign (resid  46 and name hd* ) (resid  52 and name he  )  4.5  4.5  0.0 !3D 4257
assign (resid  46 and name hb2 ) (resid  61 and name hg1*)  3.5  3.5  0.0 !2D 5355
assign (resid  46 and name hb2 ) (resid  61 and name hg2*)  3.5  3.5  0.0 !2D 5582
assign (resid  46 and name hb1 ) (resid  61 and name hg2*)  4.5  4.5  0.0 !2D 5581
assign (resid  46 and name hn  ) (resid  61 and name hg1*)  4.5  4.5  0.0 !3D 4031
assign (resid  46 and name hn  ) (resid  61 and name hg2*)  6.0  6.0  0.0 !3D 4032
assign (resid  46 and name hb1 ) (resid  61 and name hg1*)  3.5  3.5  0.0 !2D 5354
assign (resid  46 and name hd* ) (resid  61 and name hg2*)  3.5  3.5  0.0 !3D 5578
assign (resid  47 and name ha  ) (resid  52 and name he  )  5.5  5.5  0.0 !3D 4256
assign (resid  49 and name he* ) (resid  54 and name hd1*)  3.5  3.5  0.0 !2D 1041
assign (resid  49 and name he* ) (resid  54 and name hd2*)  4.5  4.5  0.0 !2D 1043
assign (resid  49 and name he* ) (resid  54 and name hg  )  5.5  5.5  0.0 !2D 1037
assign (resid  53 and name hb* ) (resid  59 and name hb2 )  5.5  5.5  0.0 !3D 2928
assign (resid  53 and name hg1 ) (resid  72 and name ha1 )  4.0  4.0  0.0 !3D 1956
assign (resid  53 and name hb* ) (resid  73 and name hn  )  5.5  5.5  0.0 !3D 3984
assign (resid  53 and name hg* ) (resid  73 and name hn  )  5.5  5.5  0.0 !3D 3982
assign (resid  49 and name he* ) (resid  54 and name hn  )  6.5  6.5  0.0 !3D 1041
assign (resid  54 and name hn  ) (resid  59 and name hd2*)  3.5  3.5  0.0 !3D 172 
assign (resid  35 and name ha  ) (resid  57 and name ha  )  4.5  4.5  0.0 !2D 1708
assign (resid  36 and name ha2 ) (resid  57 and name ha  )  4.5  4.5  0.0 !2D 1707
assign (resid  35 and name ha  ) (resid  57 and name hb1 )  4.5  4.5  0.0 !2D 2465
assign (resid  35 and name ha  ) (resid  57 and name hb2 )  5.5  5.5  0.0 !2D 3268
assign (resid  35 and name ha  ) (resid  57 and name hg1 )  4.5  4.5  0.0 !2D 4556
assign (resid  35 and name ha  ) (resid  57 and name hg2 )  3.5  3.5  0.0 !2D 4044
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assign (resid  58 and name hg2*) (resid  85 and name hd* )  4.5  4.5  0.0 !2D 645 
assign (resid  58 and name hn  ) (resid  92 and name he2*)  5.5  5.5  0.0 !3D 4554
assign (resid  59 and name hb1 ) (resid  74 and name hn  )  6.0  6.0  0.0 !3D 3973
assign (resid  59 and name hn  ) (resid  74 and name hg2*)  5.5  5.5  0.0 !3D 3867
assign (resid  60 and name hg2*) (resid  74 and name hn  )  4.5  4.5  0.0 !3D 584 
assign (resid  60 and name hg2*) (resid  85 and name he* )  5.5  5.5  0.0 !2D 957 
assign (resid  61 and name hg2*) (resid  68 and name he* )  4.5  4.5  0.0 !2D 844 
assign (resid  61 and name hg1*) (resid  68 and name he* )  3.5  3.5  0.0 !2D 843 
assign (resid  61 and name hg2*) (resid  68 and name hd* )  5.5  5.5  0.0 !2D 760 
assign (resid  61 and name hg2*) (resid  73 and name hn  )  5.5  5.5  0.0 !3D 3986
assign (resid  61 and name hn  ) (resid  73 and name hb* )  4.5  4.5  0.0 !3D 3912
assign (resid  61 and name hg2*) (resid  73 and name hb* )  3.5  3.5  0.0 !2D 5584
assign (resid  61 and name hn  ) (resid  74 and name hb  )  5.5  5.5  0.0 !3D 4600
assign (resid  61 and name hn  ) (resid  75 and name hg2*)  5.5  5.5  0.0 !3D 3911
assign (resid  61 and name hg2*) (resid  75 and name hg2*)  4.5  4.5  0.0 !3D 5585
assign (resid  61 and name hg1*) (resid  75 and name ha  )  5.5  5.5  0.0 !2D 5352
assign (resid  61 and name hg2*) (resid  75 and name ha  )  5.5  5.5  0.0 !2D 5880
assign (resid  61 and name hg1*) (resid  76 and name hn  )  5.5  5.5  0.0 !3D 702 
assign (resid  61 and name hn  ) (resid  76 and name hg1*)  6.0  6.0  0.0 !3D 3910
assign (resid  61 and name hb  ) (resid  76 and name hn  )  4.5  4.5  0.0 !3D 3800
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assign (resid  62 and name hd2*) (resid  77 and name ha  )  5.5  5.5  0.0 !2D 1181
assign (resid  62 and name hd2*) (resid  78 and name ha  )  5.5  5.5  0.0 !2D 5539
assign (resid  62 and name hd1*) (resid  78 and name hn  )  4.5  4.5  0.0 !3D 3087
assign (resid  62 and name hd2*) (resid  78 and name hn  )  5.5  5.5  0.0 !3D 3086
assign (resid  62 and name hd1*) (resid  79 and name ha  )  5.5  5.5  0.0 !2D 5542
assign (resid  62 and name hd2*) (resid  79 and name ha  )  4.5  4.5  0.0 !2D 5426
assign (resid  62 and name hd1*) (resid  79 and name hn  )  6.5  6.5  0.0 !3D 4259
assign (resid  62 and name hd2*) (resid  79 and name hn  )  5.5  5.5  0.0 !3D 4258
assign (resid  62 and name hd1*) (resid  82 and name hg2*)  3.5  3.5  0.0 !2D 5544
assign (resid  62 and name hd2*) (resid  82 and name hg2*)  4.5  4.5  0.0 !2D 5432
assign (resid  62 and name hd1*) (resid  82 and name hn  )  5.5  5.5  0.0 !3D 4177
assign (resid  62 and name hd2*) (resid 102 and name ha  )  5.5  5.5  0.0 !2D 5541
assign (resid  62 and name hd2*) (resid 102 and name hg1*)  4.5  4.5  0.0 !2D 5427
assign (resid  62 and name hn  ) (resid 102 and name hd1*)  5.5  5.5  0.0 !3D 3860
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assign (resid  62 and name hd2*) (resid 106 and name hz  )  5.5  5.5  0.0 !2D 5537
assign (resid  63 and name hg1 ) (resid  68 and name hb* )  5.5  5.5  0.0 !2D Nrej
assign (resid  63 and name hg2*) (resid  68 and name hn  )  4.5  4.5  0.0 !2D 2871
assign (resid  63 and name hg2*) (resid  68 and name hd* )  3.5  3.5  0.0 !2D 757 
assign (resid  63 and name hg2*) (resid  68 and name hb2 )  4.5  4.5  0.0 !2D 3151
assign (resid  63 and name hn  ) (resid  75 and name hg1*)  5.5  5.5  0.0 !3D 4298
assign (resid  63 and name hg2*) (resid  77 and name ha  )  4.5  4.5  0.0 !2D 1178
assign (resid  63 and name hb  ) (resid  68 and name hd1 )  5.5  5.5  0.0 !2D 3848
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assign (resid  63 and name hb  ) (resid  68 and name he* )  6.0  6.0  0.0 !2D 5849
assign (resid  68 and name hn  ) (resid  75 and name hg1*)  5.0  5.0  0.0 !3D 1880
assign (resid  68 and name he* ) (resid  75 and name hg1*)  4.5  4.5  0.0 !2D 842 
assign (resid  68 and name he* ) (resid  75 and name hg2*)  4.5  4.5  0.0 !2D 841 
assign (resid  68 and name hd* ) (resid  75 and name hg1*)  3.5  3.5  0.0 !2D 759 
assign (resid  68 and name hd* ) (resid  75 and name hg2*)  3.5  3.5  0.0 !2D 758 
assign (resid  68 and name hn  ) (resid  75 and name hb  )  7.5  7.5  0.0 !3D 4071
assign (resid  68 and name hn  ) (resid  77 and name he1 )  5.5  5.5  0.0 !3D 1862
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assign (resid  74 and name hg1*) (resid  85 and name he* )  6.5  6.5  0.0 !2D 952 
assign (resid  74 and name hg2*) (resid  85 and name he* )  4.5  4.5  0.0 !2D 956 
assign (resid  74 and name hg1*) (resid  85 and name hd* )  4.5  4.5  0.0 !2D 640 
assign (resid  76 and name hg2*) (resid  81 and name hn  )  5.5  5.5  0.0 !3D 4090
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assign (resid  79 and name hg2*) (resid 106 and name hd* )  5.5  5.5  0.0 !2D 5714
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assign (resid  82 and name hg2*) (resid 106 and name hz  )  3.5  3.5  0.0 !2D 787 
assign (resid  82 and name hb  ) (resid 106 and name hz  )  3.5  3.5  0.0 !2D 786 
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assign (resid  83 and name he* ) (resid 106 and name ha  )  4.5  4.5  0.0 !2D 266 
assign (resid  83 and name he* ) (resid 106 and name hb* )  5.5  5.5  0.0 !2D 266 
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assign (resid  96 and name hd1*) (resid 106 and name hz  )  5.5  5.5  0.0 !2D 5561
assign (resid  96 and name hd1*) (resid 106 and name hb* )  5.5  5.5  0.0 !2D 5734
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assign (resid 118 and name hd1*) (resid 153 and name hb1 )  4.5  4.5  0.0 !2D 5622
assign (resid 118 and name hd2*) (resid 153 and name hb2 )  5.5  5.5  0.0 !2D 5642
assign (resid 118 and name hd2*) (resid 153 and name hb1 )  4.5  4.5  0.0 !2D 5643
assign (resid 118 and name hg  ) (resid 154 and name hn  )  5.5  5.5  0.0 !3D 4347
assign (resid 119 and name hb* ) (resid 152 and name hn  )  4.5  4.5  0.0 !3D 1716
assign (resid 119 and name hn  ) (resid 152 and name hb  )  4.5  4.5  0.0 !3D 4098
assign (resid 119 and name hb1 ) (resid 152 and name hg2*)  3.5  3.5  0.0 !2D 2044
assign (resid 119 and name hn  ) (resid 153 and name hb1 )  5.5  5.5  0.0 !3D 4094
assign (resid 119 and name hn  ) (resid 153 and name hb2 )  5.5  5.5  0.0 !3D 4116
assign (resid 120 and name hn  ) (resid 152 and name hb  )  5.0  5.0  0.0 !3D 2664
assign (resid 121 and name hn  ) (resid 150 and name hb* )  4.5  4.5  0.0 !3D 2944
assign (resid 122 and name he* ) (resid 150 and name hb* )  4.5  4.5  0.0 !2D 461 
assign (resid 122 and name he* ) (resid 150 and name ha  )  5.5  5.5  0.0 !2D 5825
assign (resid 122 and name hz  ) (resid 151 and name ha  )  4.5  4.5  0.0 !2D 630 
assign (resid 131 and name hd2*) (resid 136 and name he* )  4.5  4.5  0.0 !2D 719 
assign (resid 131 and name hd2*) (resid 136 and name hd* )  5.5  5.5  0.0 !2D 670 
assign (resid 133 and name he3 ) (resid 158 and name hh2 )  5.5  5.5  0.0 !2D 477 
assign (resid 133 and name he3 ) (resid 158 and name he3 )  4.5  4.5  0.0 !2D 242 
assign (resid 133 and name hz3 ) (resid 158 and name he1 )  4.5  4.5  0.0 !2D 36  
assign (resid 133 and name hz3 ) (resid 158 and name hd1 )  4.5  4.5  0.0 !2D 543 
assign (resid 133 and name he3 ) (resid 158 and name hz3 )  4.5  4.5  0.0 !2D 256 
assign (resid 136 and name hn  ) (resid 158 and name he3 )  5.5  5.5  0.0 !3D 4268
assign (resid 136 and name hb2 ) (resid 158 and name he3 )  3.5  3.5  0.0 !2D 247 
assign (resid 136 and name hb1 ) (resid 158 and name he3 )  3.5  3.5  0.0 !2D 246 
assign (resid 136 and name ha  ) (resid 158 and name he3 )  5.5  5.5  0.0 !2D 239 
assign (resid 136 and name hd* ) (resid 159 and name hn  )  5.5  5.5  0.0 !3D 4135
assign (resid 136 and name he* ) (resid 160 and name hn  )  4.5  4.5  0.0 !3D 566 
assign (resid 136 and name hd* ) (resid 160 and name hn  )  3.5  3.5  0.0 !3D 565 
assign (resid 136 and name he* ) (resid 160 and name hg* )  3.5  3.5  0.0 !2D 732 
assign (resid 136 and name he* ) (resid 160 and name hb1 )  4.5  4.5  0.0 !2D 731 
assign (resid 136 and name ha  ) (resid 160 and name hb1 )  6.0  6.0  0.0 !2D 5809
assign (resid 136 and name hd* ) (resid 160 and name ha  )  3.5  3.5  0.0 !2D 655 
assign (resid 136 and name ha  ) (resid 161 and name hg* )  4.5  4.5  0.0 !2D 1335
assign (resid 136 and name ha  ) (resid 161 and name hd* )  5.5  5.5  0.0 !2D 1337
assign (resid 136 and name hn  ) (resid 161 and name hg* )  5.5  5.5  0.0 !3D 4262
assign (resid 136 and name ha  ) (resid 161 and name hb2 )  5.5  5.5  0.0 !2D 5810
assign (resid 137 and name hn  ) (resid 158 and name he3 )  4.5  4.5  0.0 !3D 2204
assign (resid 137 and name hn  ) (resid 158 and name hb2 )  5.5  5.5  0.0 !3D 4379
assign (resid 137 and name hg2*) (resid 158 and name ha  )  5.5  5.5  0.0 !2D 1150
assign (resid 137 and name ha  ) (resid 158 and name hz3 )  3.5  3.5  0.0 !2D 257 
assign (resid 137 and name ha  ) (resid 158 and name he3 )  3.5  3.5  0.0 !2D 243 
assign (resid 137 and name hg2*) (resid 159 and name hn  )  5.5  5.5  0.0 !3D 220 
assign (resid 137 and name hn  ) (resid 159 and name hb1 )  6.0  6.0  0.0 !3D 4378
assign (resid 137 and name hb  ) (resid 159 and name hn  )  5.5  5.5  0.0 !3D 4134
assign (resid 137 and name hn  ) (resid 159 and name hb2 )  6.0  6.0  0.0 !3D 4612
assign (resid 138 and name hg* ) (resid 156 and name hb2 )  4.5  4.5  0.0 !2D 5739
assign (resid 138 and name hg* ) (resid 156 and name ha  )  4.5  4.5  0.0 !2D 1293
assign (resid 138 and name hg* ) (resid 157 and name hn  )  5.5  5.5  0.0 !3D 4003
assign (resid 138 and name hb* ) (resid 158 and name hh2 )  4.5  4.5  0.0 !2D 468 
assign (resid 138 and name hg* ) (resid 158 and name he1 )  5.5  5.5  0.0 !2D 78  
assign (resid 138 and name hg* ) (resid 158 and name hd1 )  5.5  5.5  0.0 !2D 559 
assign (resid 138 and name hg* ) (resid 158 and name ha  )  4.5  4.5  0.0 !2D 5764
assign (resid 138 and name hb2 ) (resid 158 and name ha  )  6.5  6.5  0.0 !2D 5766
assign (resid 138 and name hb1 ) (resid 158 and name hz2 )  5.0  5.0  0.0 !2D 442 
assign (resid 138 and name hb1 ) (resid 158 and name hz3 )  5.5  5.5  0.0 !2D 258 
assign (resid 138 and name hb1 ) (resid 158 and name hh2 )  5.0  5.0  0.0 !2D 489 
assign (resid 138 and name ha  ) (resid 158 and name he3 )  4.5  4.5  0.0 !2D 244 
assign (resid 138 and name ha  ) (resid 158 and name hd1 )  5.5  5.5  0.0 !2D 544 
assign (resid 139 and name hg* ) (resid 159 and name he2*)  3.5  3.5  0.0 !3D 3067
assign (resid 140 and name hb* ) (resid 157 and name hn  )  4.5  4.5  0.0 !3D 4007
assign (resid 140 and name hn  ) (resid 157 and name hb  )  4.0  4.0  0.0 !3D 3006
assign (resid 141 and name hb1 ) (resid 156 and name ha  )  4.5  4.5  0.0 !2D 1288
assign (resid 141 and name hb2 ) (resid 156 and name ha  )  4.5  4.5  0.0 !2D 1287
assign (resid 142 and name hn  ) (resid 154 and name hg2*)  4.5  4.5  0.0 !3D 822 
assign (resid 142 and name hn  ) (resid 155 and name hb1 )  4.5  4.5  0.0 !3D 814 
assign (resid 142 and name hb2 ) (resid 155 and name hd* )  4.5  4.5  0.0 !2D 5719
assign (resid 142 and name hg2 ) (resid 155 and name hd* )  4.5  4.5  0.0 !2D 972 
assign (resid 142 and name hn  ) (resid 155 and name hb2 )  5.5  5.5  0.0 !3D 3929
assign (resid 142 and name hb1 ) (resid 155 and name hn  )  4.5  4.5  0.0 !3D 3939
assign (resid 143 and name hn  ) (resid 154 and name hg2*)  5.0  5.0  0.0 !3D 3959
assign (resid 144 and name hn  ) (resid 152 and name hg2*)  5.5  5.5  0.0 !3D 3816
assign (resid 144 and name hb  ) (resid 153 and name he1 )  6.0  6.0  0.0 !2D 108 
assign (resid 144 and name hg* ) (resid 153 and name he1 )  3.5  3.5  0.0 !2D 106 
assign (resid 144 and name hg* ) (resid 153 and name hd2 )  3.5  3.5  0.0 !2D 1127
assign (resid 144 and name hb  ) (resid 153 and name hd2 )  6.5  6.5  0.0 !2D 1129
assign (resid 144 and name hn  ) (resid 154 and name hg2*)  6.5  6.5  0.0 !3D 4613
assign (resid 144 and name hg* ) (resid 155 and name hn  )  5.5  5.5  0.0 !3D 3938
assign (resid 145 and name hn  ) (resid 152 and name hg2*)  5.5  5.5  0.0 !3D 3901
assign (resid 145 and name ha  ) (resid 152 and name hg2*)  4.5  4.5  0.0 !2D 1841
assign (resid 146 and name hb1 ) (resid 151 and name hn  )  4.5  4.5  0.0 !3D 2636
assign (resid 146 and name hb2 ) (resid 151 and name hn  )  5.5  5.5  0.0 !3D 2635
assign (resid 146 and name hb* ) (resid 152 and name hn  )  5.5  5.5  0.0 !3D 1715
assign (resid 146 and name hn  ) (resid 152 and name hg1 )  5.5  5.5  0.0 !3D 3917
assign (resid 146 and name hb1 ) (resid 153 and name he1 )  5.5  5.5  0.0 !2D 98  
assign (resid 146 and name hb2 ) (resid 153 and name he1 )  4.5  4.5  0.0 !2D 90  
!Medium-range NOEs
!HN(i) - HN(i+4)
assign (resid   8 and name hn  ) (resid  12 and name hn  )  3.5  3.5  0.0 !3D 893 
!HN(i) - HN(i+3)
assign (resid   8 and name hn  ) (resid  11 and name hn  )  5.5  5.5  0.0 !3D 4169
assign (resid  15 and name hn  ) (resid  18 and name hn  )  5.5  5.5  0.0 !3D 4310
assign (resid  78 and name hn  ) (resid  81 and name hn  )  5.5  5.5  0.0 !3D 4103
assign (resid  99 and name hn  ) (resid 102 and name hn  )  4.5  4.5  0.0 !3D 4506
assign (resid 148 and name hn  ) (resid 151 and name hn  )  5.5  5.5  0.0 !3D 4452
!HN(i) - HN(i+2)
assign (resid   9 and name hn  ) (resid  11 and name hn  )  4.5  4.5  0.0 !3D 4566
assign (resid  10 and name hn  ) (resid  12 and name hn  )  4.5  4.5  0.0 !3D 871 
assign (resid  15 and name hn  ) (resid  17 and name hn  )  5.5  5.5  0.0 !3D 4029
assign (resid  16 and name hn  ) (resid  18 and name hn  )  6.0  6.0  0.0 !3D 4305
assign (resid  26 and name hn  ) (resid  28 and name hn  )  5.5  5.5  0.0 !3D 4051
assign (resid  27 and name hn  ) (resid  29 and name hn  )  5.5  5.5  0.0 !3D 3941
assign (resid  29 and name hn  ) (resid  31 and name hn  )  5.5  5.5  0.0 !3D 3942
assign (resid  30 and name hn  ) (resid  32 and name hn  )  5.5  5.5  0.0 !3D 4057
assign (resid  32 and name hn  ) (resid  34 and name hn  )  4.5  4.5  0.0 !3D 4571
assign (resid  33 and name hn  ) (resid  35 and name hn  )  5.5  5.5  0.0 !3D 4454
assign (resid  46 and name hn  ) (resid  48 and name hn  )  5.5  5.5  0.0 !3D 4360
assign (resid  66 and name hn  ) (resid  68 and name hn  )  5.5  5.5  0.0 !3D 4069
assign (resid  80 and name hn  ) (resid  82 and name hn  )  5.5  5.5  0.0 !3D 4602
assign (resid  81 and name hn  ) (resid  83 and name hn  )  5.5  5.5  0.0 !3D 4323
assign (resid  82 and name hn  ) (resid  84 and name hn  )  4.5  4.5  0.0 !3D 1428
assign (resid  85 and name hn  ) (resid  87 and name hn  )  4.5  4.5  0.0 !3D 4186
assign (resid  86 and name hn  ) (resid  88 and name hn  )  5.5  5.5  0.0 !3D 4373
assign (resid  87 and name hn  ) (resid  89 and name hn  )  5.5  5.5  0.0 !3D 4293
assign (resid 100 and name hn  ) (resid 102 and name hn  )  5.5  5.5  0.0 !3D 3946
assign (resid 101 and name hn  ) (resid 103 and name hn  )  5.5  5.5  0.0 !3D 4130
assign (resid 103 and name hn  ) (resid 105 and name hn  )  5.5  5.5  0.0 !3D 4000
assign (resid 104 and name hn  ) (resid 106 and name hn  )  5.5  5.5  0.0 !3D 4367
assign (resid 107 and name hn  ) (resid 109 and name hn  )  5.5  5.5  0.0 !3D 4281
assign (resid 108 and name hn  ) (resid 110 and name hn  )  6.5  6.5  0.0 !3D 4341
assign (resid 150 and name hn  ) (resid 152 and name hn  )  4.5  4.5  0.0 !3D 3949
!Ha(i) - HN(i+4)
assign (resid  15 and name hn  ) (resid  19 and name ha  )  4.5  4.5  0.0 !3D 4026
assign (resid  24 and name ha  ) (resid  28 and name hn  )  5.5  5.5  0.0 !3D 4047
assign (resid  26 and name ha  ) (resid  30 and name hn  )  5.5  5.5  0.0 !3D 4192
assign (resid  27 and name ha  ) (resid  31 and name hn  )  5.0  5.0  0.0 !3D 1409
assign (resid  28 and name ha  ) (resid  32 and name hn  )  5.0  5.0  0.0 !3D 4056
assign (resid  29 and name ha  ) (resid  33 and name hn  )  5.5  5.5  0.0 !3D 4457
assign (resid  31 and name ha  ) (resid  35 and name hn  )  5.5  5.5  0.0 !3D 4121
assign (resid  45 and name ha  ) (resid  49 and name hn  )  5.5  5.5  0.0 !3D 3990
assign (resid  81 and name ha  ) (resid  85 and name hn  )  5.5  5.5  0.0 !3D 4183
assign (resid  82 and name ha  ) (resid  86 and name hn  )  5.0  5.0  0.0 !3D 606 
assign (resid  83 and name ha  ) (resid  87 and name hn  )  5.0  5.0  0.0 !3D 1140
assign (resid  84 and name ha  ) (resid  88 and name hn  )  5.5  5.5  0.0 !3D 4370
assign (resid 102 and name ha  ) (resid 106 and name hn  )  5.0  5.0  0.0 !3D 2956
!Ha(i) - HN(i+3)
assign (resid  24 and name ha  ) (resid  27 and name hn  )  4.5  4.5  0.0 !3D 1740
assign (resid  26 and name ha  ) (resid  29 and name hn  )  3.5  3.5  0.0 !3D 1062
assign (resid  27 and name ha  ) (resid  30 and name hn  )  3.5  3.5  0.0 !3D 287 
assign (resid  28 and name ha  ) (resid  31 and name hn  )  4.5  4.5  0.0 !3D 1407
assign (resid  29 and name ha  ) (resid  32 and name hn  )  4.5  4.5  0.0 !3D 1331
assign (resid  30 and name ha  ) (resid  33 and name hn  )  4.5  4.5  0.0 !3D 2740
assign (resid  31 and name ha  ) (resid  34 and name hn  )  4.5  4.5  0.0 !3D 3285
assign (resid  32 and name ha  ) (resid  35 and name hn  )  5.5  5.5  0.0 !3D 1504
assign (resid  43 and name ha  ) (resid  46 and name hn  )  4.5  4.5  0.0 !3D 941 
assign (resid  44 and name ha  ) (resid  47 and name hn  )  4.5  4.5  0.0 !3D 3175
assign (resid  45 and name ha  ) (resid  48 and name hn  )  3.5  3.5  0.0 !3D 2981
assign (resid  65 and name ha  ) (resid  68 and name hn  )  6.5  6.5  0.0 !3D 4072
assign (resid  79 and name ha  ) (resid  82 and name hn  )  4.5  4.5  0.0 !3D 1426
assign (resid  80 and name ha  ) (resid  83 and name hn  )  4.5  4.5  0.0 !3D 1572
assign (resid  82 and name ha  ) (resid  85 and name hn  )  4.5  4.5  0.0 !3D 1310
assign (resid  83 and name ha  ) (resid  86 and name hn  )  4.5  4.5  0.0 !3D 603 
assign (resid  84 and name ha  ) (resid  87 and name hn  )  4.5  4.5  0.0 !3D 1141
assign (resid  86 and name ha  ) (resid  89 and name hn  )  4.5  4.5  0.0 !3D 1611
assign (resid 100 and name ha  ) (resid 103 and name hn  )  4.5  4.5  0.0 !3D 855 
assign (resid 101 and name ha  ) (resid 104 and name hn  )  4.5  4.5  0.0 !3D 2608
assign (resid 103 and name ha  ) (resid 106 and name hn  )  4.5  4.5  0.0 !3D 2954
assign (resid 104 and name ha  ) (resid 107 and name hn  )  4.5  4.5  0.0 !3D 4148
assign (resid 107 and name ha  ) (resid 110 and name hn  )  6.5  6.5  0.0 !3D 3345
assign (resid 133 and name ha  ) (resid 136 and name hn  )  3.5  3.5  0.0 !3D 1025
assign (resid 149 and name ha  ) (resid 152 and name hn  )  4.5  4.5  0.0 !3D 1712
!Ha(i) - HN(i+2)
assign (resid  12 and name ha  ) (resid  14 and name hn  )  5.0  5.0  0.0 !3D 2825
assign (resid  19 and name ha  ) (resid  21 and name hn  )  5.5  5.5  0.0 !3D 4539
assign (resid  23 and name ha  ) (resid  25 and name hn  )  5.5  5.5  0.0 !3D 4405
assign (resid  26 and name ha  ) (resid  28 and name hn  )  5.5  5.5  0.0 !3D 4052
assign (resid  31 and name ha  ) (resid  33 and name hn  )  5.5  5.5  0.0 !3D 4459
assign (resid  33 and name ha  ) (resid  35 and name hn  )  5.5  5.5  0.0 !3D 4122
assign (resid  35 and name ha  ) (resid  37 and name hn  )  4.0  4.0  0.0 !3D 1360
assign (resid  43 and name ha  ) (resid  45 and name hn  )  5.5  5.5  0.0 !3D 4204
assign (resid  47 and name ha  ) (resid  49 and name hn  )  4.5  4.5  0.0 !3D 1914
assign (resid  49 and name ha  ) (resid  51 and name hn  )  5.0  5.0  0.0 !3D 3158
assign (resid  52 and name ha  ) (resid  54 and name hn  )  4.5  4.5  0.0 !3D 4011
assign (resid  55 and name ha  ) (resid  57 and name hn  )  5.0  5.0  0.0 !3D 2879
assign (resid  63 and name ha  ) (resid  65 and name hn  )  5.5  5.5  0.0 !3D 3971
assign (resid  65 and name ha  ) (resid  67 and name hn  )  4.5  4.5  0.0 !3D 2474
assign (resid  66 and name ha  ) (resid  68 and name hn  )  4.5  4.5  0.0 !3D 1875
assign (resid  67 and name ha  ) (resid  69 and name hn  )  6.0  6.0  0.0 !3D 1406
assign (resid  71 and name ha  ) (resid  73 and name hn  )  4.5  4.5  0.0 !3D 1250
assign (resid  76 and name ha  ) (resid  78 and name hn  )  5.5  5.5  0.0 !3D 3079
assign (resid  78 and name ha  ) (resid  80 and name hn  )  4.5  4.5  0.0 !3D 967 
assign (resid  79 and name ha  ) (resid  81 and name hn  )  5.5  5.5  0.0 !3D 4095
assign (resid  82 and name ha  ) (resid  84 and name hn  )  4.5  4.5  0.0 !3D 4017
assign (resid  83 and name ha  ) (resid  85 and name hn  )  5.5  5.5  0.0 !3D 4184
assign (resid  84 and name ha  ) (resid  86 and name hn  )  5.5  5.5  0.0 !3D 3972
assign (resid  86 and name ha  ) (resid  88 and name hn  )  4.5  4.5  0.0 !3D 3246
assign (resid  89 and name ha  ) (resid  91 and name hn  )  4.5  4.5  0.0 !3D 2357
assign (resid  96 and name ha  ) (resid  98 and name hn  )  4.5  4.5  0.0 !3D 4586
assign (resid 106 and name ha  ) (resid 108 and name hn  )  4.5  4.5  0.0 !3D 678 
assign (resid 107 and name ha  ) (resid 109 and name hn  )  4.5  4.5  0.0 !3D 1204
assign (resid 118 and name ha  ) (resid 120 and name hn  )  5.0  5.0  0.0 !3D 4577
assign (resid 132 and name ha  ) (resid 134 and name hn  )  3.5  3.5  0.0 !3D 2591
assign (resid 133 and name ha  ) (resid 135 and name hn  )  4.5  4.5  0.0 !3D 1205
assign (resid 134 and name ha  ) (resid 136 and name hn  )  4.5  4.5  0.0 !3D 1021
assign (resid 138 and name ha  ) (resid 140 and name hn  )  4.5  4.5  0.0 !3D 3004
assign (resid 146 and name ha  ) (resid 148 and name hn  )  5.5  5.5  0.0 !3D 4024
assign (resid 148 and name ha  ) (resid 150 and name hn  )  4.5  4.5  0.0 !3D 1475
assign (resid 149 and name ha  ) (resid 151 and name hn  )  5.5  5.5  0.0 !3D 2630
assign (resid 150 and name ha  ) (resid 152 and name hn  )  4.5  4.5  0.0 !3D 3947
!HN(i) - Hb(i-2,3,4)
assign (resid   8 and name hn  ) (resid  12 and name hb1 )  4.5  4.5  0.0 !3D 888 
assign (resid   7 and name hb2 ) (resid  11 and name hn  )  4.5  4.5  0.0 !3D 2732
assign (resid  10 and name hb2 ) (resid  12 and name hn  )  5.5  5.5  0.0 !3D 3921
assign (resid  10 and name hb1 ) (resid  12 and name hn  )  5.5  5.5  0.0 !3D 3711
assign (resid  19 and name hb2 ) (resid  21 and name hn  )  4.5  4.5  0.0 !3D 3657
assign (resid  19 and name hb1 ) (resid  21 and name hn  )  3.5  3.5  0.0 !3D 3658
assign (resid  23 and name hb2 ) (resid  26 and name hn  )  5.5  5.5  0.0 !3D 3353
assign (resid  28 and name hb1 ) (resid  32 and name hn  )  5.5  5.5  0.0 !3D 1333
assign (resid  38 and name hg2*) (resid  40 and name hn  )  5.5  5.5  0.0 !3D 3826
assign (resid  42 and name hn  ) (resid  45 and name hb  )  3.5  3.5  0.0 !3D 2287
assign (resid  41 and name hb  ) (resid  45 and name hn  )  5.0  5.0  0.0 !3D 4208
assign (resid  49 and name hb* ) (resid  51 and name hn  )  4.0  4.0  0.0 !3D 3163
assign (resid  49 and name hb* ) (resid  52 and name hn  )  5.5  5.5  0.0 !3D 4104
assign (resid  49 and name hn  ) (resid  52 and name hb* )  6.0  6.0  0.0 !3D 3988
assign (resid  53 and name hb* ) (resid  57 and name hn  )  5.5  5.5  0.0 !3D 4440
assign (resid  63 and name hb  ) (resid  65 and name hn  )  5.5  5.5  0.0 !3D 3970
assign (resid  65 and name hn  ) (resid  68 and name hb* )  6.5  6.5  0.0 !3D 3968
assign (resid  65 and name hb* ) (resid  67 and name hn  )  3.5  3.5  0.0 !3D 2478
assign (resid  67 and name hb1 ) (resid  69 and name hn  )  5.5  5.5  0.0 !3D 3702
assign (resid  74 and name hb  ) (resid  76 and name hn  )  6.0  6.0  0.0 !3D 4154
assign (resid  77 and name hn  ) (resid  81 and name hb* )  4.5  4.5  0.0 !3D 2436
assign (resid  76 and name hb  ) (resid  78 and name hn  )  3.5  3.5  0.0 !3D 3082
assign (resid  78 and name hn  ) (resid  81 and name hb* )  3.5  3.5  0.0 !3D 3083
assign (resid  78 and name hb* ) (resid  80 and name hn  )  3.5  3.5  0.0 !3D 974 
assign (resid  78 and name hb* ) (resid  81 and name hn  )  4.5  4.5  0.0 !3D 4097
assign (resid  79 and name hb  ) (resid  81 and name hn  )  5.5  5.5  0.0 !3D 4091
assign (resid  80 and name hb* ) (resid  82 and name hn  )  5.5  5.5  0.0 !3D 4176
assign (resid  83 and name hn  ) (resid  86 and name hb* )  5.5  5.5  0.0 !3D 4320
assign (resid  84 and name hn  ) (resid  86 and name hb* )  5.5  5.5  0.0 !3D 4015
assign (resid  84 and name hb* ) (resid  86 and name hn  )  5.5  5.5  0.0 !3D 3975
assign (resid  84 and name hb* ) (resid  87 and name hn  )  5.5  5.5  0.0 !3D 1131
assign (resid  84 and name hb* ) (resid  88 and name hn  )  5.5  5.5  0.0 !3D 4369
assign (resid  86 and name hb* ) (resid  89 and name hn  )  5.5  5.5  0.0 !3D 1616
assign (resid  89 and name hb2 ) (resid  92 and name hn  )  4.5  4.5  0.0 !3D 4222
assign (resid  89 and name hb1 ) (resid  92 and name hn  )  5.5  5.5  0.0 !3D 4221
assign (resid  99 and name hn  ) (resid 102 and name hb  )  4.5  4.5  0.0 !3D 2787
assign (resid 103 and name hb* ) (resid 105 and name hn  )  5.5  5.5  0.0 !3D 3998
assign (resid 105 and name hb* ) (resid 107 and name hn  )  5.5  5.5  0.0 !3D 1603
assign (resid 107 and name hn  ) (resid 109 and name hb* )  6.5  6.5  0.0 !3D 4147
assign (resid 110 and name hb  ) (resid 112 and name hn  )  5.5  5.5  0.0 !3D 4314
assign (resid 118 and name hb1 ) (resid 120 and name hn  )  4.5  4.5  0.0 !3D 2669
assign (resid 118 and name hb2 ) (resid 120 and name hn  )  4.5  4.5  0.0 !3D 2667
assign (resid 131 and name hb1 ) (resid 133 and name hn  )  5.5  5.5  0.0 !3D 3961
assign (resid 131 and name hb2 ) (resid 133 and name hn  )  5.5  5.5  0.0 !3D 3960
assign (resid 132 and name hb1 ) (resid 135 and name hn  )  4.5  4.5  0.0 !3D 1185
assign (resid 133 and name hb1 ) (resid 136 and name hn  )  5.5  5.5  0.0 !3D 1027
assign (resid 146 and name hb2 ) (resid 148 and name hn  )  4.5  4.5  0.0 !3D 53  
assign (resid 146 and name hb1 ) (resid 148 and name hn  )  3.5  3.5  0.0 !3D 55  
assign (resid 148 and name hn  ) (resid 151 and name hb2 )  5.5  5.5  0.0 !3D 4022
assign (resid 148 and name hb2 ) (resid 150 and name hn  )  5.5  5.5  0.0 !3D 4223
assign (resid 148 and name hb2 ) (resid 151 and name hn  )  4.5  4.5  0.0 !3D 2634
assign (resid 148 and name hb1 ) (resid 151 and name hn  )  3.5  3.5  0.0 !3D 4452
!Ha(i) - Hb(i+2,3,4)
assign (resid  25 and name ha  ) (resid  28 and name hb2 )  4.0  4.0  0.0 !2D 1827
assign (resid  26 and name ha  ) (resid  29 and name hb1 )  4.0  4.0  0.0 !2D 1327
assign (resid  26 and name ha  ) (resid  29 and name hb2 )  3.5  3.5  0.0 !2D 1326
assign (resid  27 and name ha  ) (resid  30 and name hb1 )  3.5  3.5  0.0 !2D 2000
assign (resid  27 and name ha  ) (resid  30 and name hb2 )  3.5  3.5  0.0 !2D 2009
assign (resid  28 and name ha  ) (resid  31 and name hb1 )  3.5  3.5  0.0 !2D 1759
assign (resid  28 and name ha  ) (resid  31 and name hb2 )  5.5  5.5  0.0 !2D 1757
assign (resid  29 and name ha  ) (resid  32 and name hb* )  4.5  4.5  0.0 !2D 4097
assign (resid  41 and name ha  ) (resid  45 and name hb  )  4.5  4.5  0.0 !2D 1258
assign (resid  43 and name ha  ) (resid  46 and name hb1 )  3.5  3.5  0.0 !2D 2598
assign (resid  45 and name ha  ) (resid  48 and name hb* )  3.5  3.5  0.0 !2D 2684
assign (resid  79 and name ha  ) (resid  82 and name hb  )  3.5  3.5  0.0 !2D 2718
assign (resid  83 and name ha  ) (resid  86 and name hb* )  3.5  3.5  0.0 !2D 3793
assign (resid 100 and name ha  ) (resid 103 and name hb2 )  3.5  3.5  0.0 !2D 2718
! Other medium-range NOEs
assign (resid   3 and name hb1 ) (resid   5 and name hz3 )  3.5  3.5  0.0 !2D 850 
assign (resid   3 and name hb1 ) (resid   5 and name he3 )  4.5  4.5  0.0 !2D 500 
assign (resid   3 and name ha  ) (resid   5 and name he3 )  4.5  4.5  0.0 !2D 497 
assign (resid   3 and name hb2 ) (resid   5 and name hz3 )  3.5  3.5  0.0 !2D 849 
assign (resid   5 and name he1 ) (resid   7 and name hb1 )  3.5  3.5  0.0 !2D 57  
assign (resid   5 and name he1 ) (resid   7 and name hg2 )  3.5  3.5  0.0 !2D 60  
assign (resid   5 and name hd1 ) (resid   7 and name hn  )  5.5  5.5  0.0 !3D 4409
assign (resid   5 and name hd1 ) (resid   7 and name hb1 )  3.5  3.5  0.0 !2D 706 
assign (resid   5 and name he1 ) (resid   7 and name ha  )  5.5  5.5  0.0 !2D 190 
assign (resid   5 and name he1 ) (resid   7 and name hn  )  5.0  5.0  0.0 !2D 11  
assign (resid   5 and name he1 ) (resid   7 and name hg1 )  4.5  4.5  0.0 !2D 58  
assign (resid   7 and name he2*) (resid  11 and name hn  )  4.5  4.5  0.0 !3D 4565
assign (resid   7 and name he2*) (resid  11 and name ha* )  4.5  4.5  0.0 !3D 4498
assign (resid   8 and name hn  ) (resid  11 and name ha* )  5.5  5.5  0.0 !3D 4161
assign (resid   9 and name hd2 ) (resid  11 and name hn  )  5.5  5.5  0.0 !3D 4564
assign (resid  12 and name hd2*) (resid  14 and name hn  )  5.5  5.5  0.0 !3D 2831
assign (resid  12 and name hg  ) (resid  14 and name hn  )  3.5  3.5  0.0 !3D 2828
assign (resid  12 and name hd1*) (resid  14 and name hn  )  3.5  3.5  0.0 !3D 2830
assign (resid  15 and name hb1 ) (resid  18 and name he1 )  5.5  5.5  0.0 !2D 5847
assign (resid  15 and name hb2 ) (resid  18 and name he1 )  6.0  6.0  0.0 !2D 63  
assign (resid  15 and name hg* ) (resid  18 and name he1 )  5.5  5.5  0.0 !2D 64  
assign (resid  15 and name hd* ) (resid  18 and name he1 )  4.5  4.5  0.0 !2D 62  
assign (resid  16 and name hb1 ) (resid  18 and name hd2 )  4.5  4.5  0.0 !2D 406 
assign (resid  16 and name hb2 ) (resid  18 and name hd2 )  4.5  4.5  0.0 !2D 405 
assign (resid  16 and name hb2 ) (resid  18 and name he1 )  5.5  5.5  0.0 !2D 57  
assign (resid  19 and name hd2*) (resid  21 and name hd1 )  5.5  5.5  0.0 !2D 1014
assign (resid  19 and name hd2*) (resid  21 and name hn  )  5.5  5.5  0.0 !3D 4535
assign (resid  19 and name hb1 ) (resid  21 and name hd1 )  5.5  5.5  0.0 !2D 5685
assign (resid  19 and name hb1 ) (resid  21 and name he1 )  4.5  4.5  0.0 !2D 82  
assign (resid  19 and name hd1*) (resid  21 and name hn  )  5.5  5.5  0.0 !3D 4536
assign (resid  19 and name hb1 ) (resid  21 and name he3 )  5.5  5.5  0.0 !2D 1111
assign (resid  19 and name hd1*) (resid  21 and name he1 )  3.5  3.5  0.0 !2D 80  
assign (resid  19 and name hd2*) (resid  21 and name he1 )  3.5  3.5  0.0 !2D 81  
assign (resid  21 and name hd1 ) (resid  23 and name hn  )  4.5  4.5  0.0 !3D 537 
assign (resid  21 and name hd1 ) (resid  23 and name ha  )  4.5  4.5  0.0 !2D 1008
assign (resid  21 and name hd1 ) (resid  23 and name hd2*)  4.5  4.5  0.0 !2D 1015
assign (resid  21 and name he1 ) (resid  23 and name hb1 )  4.5  4.5  0.0 !2D 79  
assign (resid  21 and name hd1 ) (resid  23 and name hd1*)  4.5  4.5  0.0 !2D 1013
assign (resid  21 and name hd1 ) (resid  23 and name hb1 )  3.5  3.5  0.0 !2D 1011
assign (resid  21 and name he1 ) (resid  23 and name hd2*)  4.5  4.5  0.0 !2D 111 
assign (resid  21 and name hd1 ) (resid  23 and name hb2 )  3.5  3.5  0.0 !2D 1010
assign (resid  22 and name hd2 ) (resid  24 and name hd1 )  5.5  5.5  0.0 !2D 609 
assign (resid  23 and name hd1*) (resid  25 and name hn  )  4.5  4.5  0.0 !3D 4400
assign (resid  23 and name hg  ) (resid  25 and name hn  )  4.5  4.5  0.0 !3D 4401
assign (resid  23 and name hd2*) (resid  26 and name ha  )  4.5  4.5  0.0 !2D 1329
assign (resid  23 and name hd1*) (resid  26 and name hn  )  4.5  4.5  0.0 !3D 3362
assign (resid  23 and name hd2*) (resid  26 and name hn  )  3.5  3.5  0.0 !3D 3354
assign (resid  23 and name hg  ) (resid  26 and name hn  )  2.5  2.5  0.0 !3D 3361
assign (resid  23 and name hd2*) (resid  26 and name hb1 )  3.5  3.5  0.0 !2D 5492
assign (resid  23 and name hd2*) (resid  26 and name hb2 )  3.5  3.5  0.0 !2D 5491
assign (resid  24 and name hd* ) (resid  27 and name hn  )  5.5  5.5  0.0 !3D 4242
assign (resid  25 and name ha  ) (resid  28 and name hd2 )  3.5  3.5  0.0 !2D 528 
assign (resid  25 and name hb* ) (resid  28 and name hd2 )  5.0  5.0  0.0 !2D 5830
assign (resid  26 and name ha  ) (resid  29 and name hd* )  5.5  5.5  0.0 !2D 781 
assign (resid  27 and name hd2*) (resid  30 and name hn  )  5.5  5.5  0.0 !3D 4189
assign (resid  27 and name ha  ) (resid  30 and name hd* )  5.5  5.5  0.0 !2D 674 
assign (resid  29 and name he1 ) (resid  33 and name hg1 )  4.5  4.5  0.0 !2D 885 
assign (resid  30 and name he* ) (resid  34 and name hg2*)  3.5  3.5  0.0 !2D 473 
assign (resid  30 and name ha  ) (resid  34 and name hg2*)  4.5  4.5  0.0 !2D 2457
assign (resid  30 and name hd1*) (resid  34 and name hg2*)  4.5  4.5  0.0 !2D     
assign (resid  30 and name hz  ) (resid  34 and name hg2*)  4.5  4.5  0.0 !2D 315 
assign (resid  30 and name he* ) (resid  34 and name hb  )  5.5  5.5  0.0 !2D 480 
assign (resid  31 and name hn  ) (resid  34 and name hg1 )  5.5  5.5  0.0 !2D 4107
assign (resid  34 and name ha  ) (resid  37 and name hb2 )  3.5  3.5  0.0 !2D 2062
assign (resid  35 and name hg* ) (resid  37 and name hn  )  5.0  5.0  0.0 !3D 1369
assign (resid  42 and name hn  ) (resid  45 and name hg1 )  5.5  5.5  0.0 !3D 4557
assign (resid  43 and name hd* ) (resid  47 and name hn  )  5.5  5.5  0.0 !3D 4530
assign (resid  45 and name hg2*) (resid  48 and name hn  )  5.5  5.5  0.0 !3D 4355
assign (resid  45 and name hg2*) (resid  49 and name he* )  4.5  4.5  0.0 !2D 1040
assign (resid  49 and name hn  ) (resid  52 and name hd* )  5.5  5.5  0.0 !3D 1916
assign (resid  49 and name he* ) (resid  52 and name hg* )  6.0  6.0  0.0 !2D 1038
assign (resid  49 and name hb* ) (resid  52 and name he  )  5.5  5.5  0.0 !3D 4255
assign (resid  49 and name hb* ) (resid  52 and name hg2 )  3.5  3.5  0.0 !2D 3033
assign (resid  49 and name hn  ) (resid  52 and name he  )  5.5  5.5  0.0 !3D 3993
assign (resid  51 and name hn  ) (resid  54 and name hd2*)  5.0  5.0  0.0 !3D 3170
assign (resid  54 and name hb1 ) (resid  57 and name hb2 )  3.5  3.5  0.0 !2D 3272
assign (resid  54 and name hd1*) (resid  57 and name hb2 )  5.5  5.5  0.0 !2D 5853
assign (resid  54 and name hd1*) (resid  57 and name hd* )  4.5  4.5  0.0 !2D 5368
assign (resid  54 and name hb2 ) (resid  57 and name hg* )  5.5  5.5  0.0 !2D 4057
assign (resid  54 and name hb2 ) (resid  57 and name hd* )  5.5  5.5  0.0 !2D 2939
assign (resid  54 and name hb1 ) (resid  57 and name hg* )  4.5  4.5  0.0 !2D 3273
assign (resid  54 and name hb2 ) (resid  57 and name hb2 )  3.5  3.5  0.0 !2D 5104
assign (resid  57 and name hg* ) (resid  59 and name hd2*)  4.5  4.5  0.0 !2D 3451
assign (resid  57 and name he  ) (resid  59 and name hd2*)  6.5  6.5  0.0 !3D 4290
assign (resid  57 and name hn  ) (resid  59 and name hd2*)  4.5  4.5  0.0 !3D 4444
assign (resid  58 and name hg2*) (resid  60 and name hn  )  5.5  5.5  0.0 !3D 3899
assign (resid  59 and name hb2 ) (resid  61 and name hg2*)  5.5  5.5  0.0 !2D 5733
assign (resid  59 and name hb1 ) (resid  61 and name hg2*)  5.5  5.5  0.0 !2D 5735
assign (resid  61 and name hg1*) (resid  63 and name hb  )  4.5  4.5  0.0 !2D 5353
assign (resid  61 and name hg1*) (resid  63 and name hn  )  5.5  5.5  0.0 !3D 4297
assign (resid  63 and name hg2*) (resid  65 and name hn  )  3.5  3.5  0.0 !3D 3733
assign (resid  63 and name hg1 ) (resid  65 and name hn  )  4.5  4.5  0.0 !3D 3966
assign (resid  63 and name hg1 ) (resid  65 and name hb* )  4.5  4.5  0.0 !2D Nrej
assign (resid  63 and name hg1 ) (resid  65 and name hg* )  4.5  4.5  0.0 !2D Nrej
assign (resid  65 and name hg* ) (resid  67 and name hn  )  4.5  4.5  0.0 !3D 4349
assign (resid  65 and name hg* ) (resid  68 and name hd* )  4.5  4.5  0.0 !2D 754 
assign (resid  65 and name hg* ) (resid  68 and name hb1 )  6.5  6.5  0.0 !2D 2671
assign (resid  65 and name hg* ) (resid  68 and name hb2 )  5.5  5.5  0.0 !2D 3153
assign (resid  65 and name he2*) (resid  68 and name hd* )  4.5  4.5  0.0 !3D 3342
assign (resid  65 and name hb* ) (resid  68 and name hd* )  5.5  5.5  0.0 !2D 753 
assign (resid  65 and name hg* ) (resid  68 and name hn  )  5.5  5.5  0.0 !3D 1885
assign (resid  65 and name he2*) (resid  68 and name he* )  5.5  5.5  0.0 !3D 4416
assign (resid  67 and name ha  ) (resid  69 and name he2*)  4.5  4.5  0.0 !3D 4428
assign (resid  68 and name hd* ) (resid  70 and name ha  )  5.5  5.5  0.0 !2D 749 
assign (resid  68 and name he* ) (resid  70 and name hb* )  2.5  2.5  0.0 !2D 840 
assign (resid  68 and name hd* ) (resid  70 and name hb* )  3.5  3.5  0.0 !2D 756 
assign (resid  68 and name he* ) (resid  70 and name ha  )  5.5  5.5  0.0 !2D 837 
assign (resid  69 and name hb1 ) (resid  71 and name hg1 )  5.5  5.5  0.0 !2D 3388
assign (resid  73 and name hn  ) (resid  75 and name hg2*)  5.5  5.5  0.0 !3D 3980
assign (resid  76 and name hg2*) (resid  78 and name hn  )  3.5  3.5  0.0 !3D 3085
assign (resid  76 and name hg1*) (resid  78 and name hn  )  4.5  4.5  0.0 !3D 3084
assign (resid  78 and name hn  ) (resid  82 and name hg2*)  4.5  4.5  0.0 !3D 4412
assign (resid  79 and name hg1*) (resid  82 and name hn  )  4.5  4.5  0.0 !3D 1450
assign (resid  79 and name ha  ) (resid  82 and name hg2*)  3.5  3.5  0.0 !2D 2721
assign (resid  79 and name hg1*) (resid  82 and name hb  )  3.5  3.5  0.0 !3D 5188
assign (resid  79 and name hg2*) (resid  83 and name hd* )  5.5  5.5  0.0 !2D 5712
assign (resid  79 and name hg1*) (resid  83 and name hn  )  5.5  5.5  0.0 !3D 4317
assign (resid  79 and name hg1*) (resid  83 and name hd* )  3.5  3.5  0.0 !2D 292 
assign (resid  79 and name hb  ) (resid  83 and name hd* )  4.5  4.5  0.0 !2D 298 
assign (resid  79 and name hg1*) (resid  83 and name he* )  4.5  4.5  0.0 !2D 264 
assign (resid  80 and name hb* ) (resid  83 and name hd* )  4.5  4.5  0.0 !2D 299 
assign (resid  80 and name ha  ) (resid  83 and name hd* )  3.5  3.5  0.0 !2D 286 
assign (resid  82 and name hg1*) (resid  85 and name hn  )  5.5  5.5  0.0 !3D 4172
assign (resid  82 and name hg2*) (resid  85 and name hn  )  6.5  6.5  0.0 !3D 4171
assign (resid  82 and name hg1*) (resid  86 and name hn  )  4.5  4.5  0.0 !3D 610 
assign (resid  82 and name hg2*) (resid  86 and name hn  )  6.5  6.5  0.0 !3D 3974
assign (resid  83 and name hd* ) (resid  86 and name hb* )  4.5  4.5  0.0 !2D 5818
assign (resid  84 and name hb* ) (resid  88 and name he2*)  4.5  4.5  0.0 !3D 3235
assign (resid  85 and name ha  ) (resid  88 and name he2*)  4.5  4.5  0.0 !3D 3233
assign (resid  85 and name hd* ) (resid  89 and name hb2 )  4.5  4.5  0.0 !2D 5701
assign (resid  85 and name ha  ) (resid  89 and name hd2 )  4.5  4.5  0.0 !2D 946 
assign (resid  86 and name ha  ) (resid  89 and name hd2 )  5.5  5.5  0.0 !2D 940 
assign (resid  87 and name hb* ) (resid  89 and name hn  )  5.5  5.5  0.0 !3D 4321
assign (resid  94 and name hg  ) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5566
assign (resid  94 and name hd* ) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5569
assign (resid  96 and name hg2*) (resid  98 and name hn  )  3.5  3.5  0.0 !3D 3637
assign (resid  98 and name ha* ) (resid 101 and name hn  )  5.5  5.5  0.0 !3D 4128
assign (resid  98 and name ha* ) (resid 102 and name hn  )  5.5  5.5  0.0 !3D 3944
assign (resid  99 and name ha* ) (resid 101 and name hn  )  5.5  5.5  0.0 !3D 4127
assign (resid  99 and name hn  ) (resid 102 and name hg1*)  4.5  4.5  0.0 !3D 2788
assign (resid  99 and name ha* ) (resid 103 and name he* )  4.0  4.0  0.0 !2D 694 
assign (resid 100 and name ha  ) (resid 103 and name he* )  4.5  4.5  0.0 !2D 736 
assign (resid 100 and name ha  ) (resid 103 and name hd1 )  4.5  4.5  0.0 !2D 1168
assign (resid 102 and name hg2*) (resid 104 and name hn  )  5.5  5.5  0.0 !3D 4365
assign (resid 102 and name hd1*) (resid 105 and name hn  )  5.5  5.5  0.0 !3D 3997
assign (resid 102 and name hg2*) (resid 105 and name hn  )  5.5  5.5  0.0 !3D 3996
assign (resid 102 and name hg2*) (resid 106 and name hn  )  5.5  5.5  0.0 !3D 2959
assign (resid 102 and name hd1*) (resid 105 and name hb* )  5.5  5.5  0.0 !2D 5479
assign (resid 102 and name hd1*) (resid 106 and name he* )  4.5  4.5  0.0 !2D 5473
assign (resid 102 and name hg2*) (resid 106 and name hd* )  3.5  3.5  0.0 !2D 189 
assign (resid 102 and name ha  ) (resid 106 and name hd* )  4.5  4.5  0.0 !2D 179 
assign (resid 102 and name hd1*) (resid 106 and name hd* )  5.5  5.5  0.0 !2D 5743
assign (resid 103 and name ha  ) (resid 106 and name hd* )  4.5  4.5  0.0 !2D 177 
assign (resid 106 and name hd* ) (resid 109 and name hb1 )  5.5  5.5  0.0 !2D 182 
assign (resid 106 and name hd* ) (resid 109 and name hb2 )  4.5  4.5  0.0 !2D 180 
assign (resid 108 and name hn  ) (resid 110 and name hg2*)  5.5  5.5  0.0 !3D 4271
assign (resid 110 and name hg1*) (resid 112 and name ha  )  4.5  4.5  0.0 !2D 5802
assign (resid 110 and name hg1*) (resid 112 and name hn  )  3.0  3.0  0.0 !3D 1452
assign (resid 113 and name hd1*) (resid 115 and name hg1*)  5.5  5.5  0.0 !2D 5725
assign (resid 115 and name hg1*) (resid 117 and name he  )  4.5  4.5  0.0 !3D 4166
assign (resid 115 and name hg2*) (resid 117 and name hn  )  5.5  5.5  0.0 !3D 3883
assign (resid 115 and name hg2*) (resid 117 and name hb* )  5.5  5.5  0.0 !2D 5543
assign (resid 116 and name hg2*) (resid 118 and name hd1*)  3.5  3.5  0.0 !2D 5627
assign (resid 116 and name hb  ) (resid 118 and name hd1*)  4.5  4.5  0.0 !2D 5628
assign (resid 116 and name hg2*) (resid 118 and name hn  )  5.5  5.5  0.0 !3D 3824
assign (resid 118 and name hd2*) (resid 120 and name hn  )  4.5  4.5  0.0 !3D 2670
assign (resid 118 and name hd1*) (resid 122 and name he* )  4.5  4.5  0.0 !2D 456 
assign (resid 118 and name hd2*) (resid 122 and name he* )  3.5  3.5  0.0 !2D 462 
assign (resid 118 and name hd2*) (resid 122 and name hd* )  5.5  5.5  0.0 !2D 216 
assign (resid 118 and name hb2 ) (resid 122 and name he* )  3.5  3.5  0.0 !2D 460 
assign (resid 118 and name hd2*) (resid 122 and name hz  )  3.5  3.5  0.0 !2D 626 
assign (resid 120 and name hn  ) (resid 122 and name he* )  4.5  4.5  0.0 !3D 2663
assign (resid 120 and name hn  ) (resid 122 and name hd* )  6.0  6.0  0.0 !3D 4580
assign (resid 120 and name hn  ) (resid 122 and name hz  )  5.5  5.5  0.0 !3D 4579
assign (resid 120 and name ha* ) (resid 122 and name he* )  3.5  3.5  0.0 !2D 5826
assign (resid 124 and name ha* ) (resid 126 and name hn  )  4.5  4.5  0.0 !3D 4324
assign (resid 128 and name he* ) (resid 131 and name hg  )  4.5  4.5  0.0 !2D 5737
assign (resid 128 and name he* ) (resid 131 and name hd2*)  4.0  4.0  0.0 !2D 5616
assign (resid 128 and name he* ) (resid 131 and name hd1*)  3.5  3.5  0.0 !2D 5619
assign (resid 131 and name hn  ) (resid 133 and name he1 )  3.5  3.5  0.0 !3D 4594
assign (resid 131 and name hd1*) (resid 133 and name he1 )  4.5  4.5  0.0 !2D 110 
assign (resid 131 and name hb2 ) (resid 133 and name he1 )  3.5  3.5  0.0 !2D 85  
assign (resid 131 and name hb1 ) (resid 133 and name he1 )  4.5  4.5  0.0 !2D 84  
assign (resid 131 and name hg  ) (resid 133 and name he1 )  5.5  5.5  0.0 !2D 69  
assign (resid 131 and name hd1*) (resid 133 and name hd1 )  6.0  6.0  0.0 !2D 5815
assign (resid 131 and name hb1 ) (resid 133 and name hd1 )  5.0  5.0  0.0 !2D 277 
assign (resid 131 and name hb2 ) (resid 133 and name hd1 )  5.0  5.0  0.0 !2D 278 
assign (resid 132 and name hd2*) (resid 135 and name hn  )  4.5  4.5  0.0 !3D 1200
assign (resid 132 and name hd2*) (resid 135 and name hb2 )  5.5  5.5  0.0 !3D 4466
assign (resid 133 and name he3 ) (resid 136 and name hb1 )  5.5  5.5  0.0 !2D 1217
assign (resid 134 and name hn  ) (resid 136 and name hd* )  5.5  5.5  0.0 !3D 4398
assign (resid 137 and name hn  ) (resid 139 and name hg* )  5.5  5.5  0.0 !3D 4377
assign (resid 138 and name hd* ) (resid 140 and name hn  )  3.5  3.5  0.0 !3D 3009
assign (resid 138 and name he* ) (resid 140 and name hn  )  5.5  5.5  0.0 !3D 4436
assign (resid 138 and name hg* ) (resid 141 and name ha  )  5.5  5.5  0.0 !2D 1320
assign (resid 144 and name hg* ) (resid 146 and name hn  )  5.5  5.5  0.0 !3D 3913
assign (resid 148 and name hd2*) (resid 150 and name hb* )  4.5  4.5  0.0 !3D 3264
assign (resid 148 and name hd2*) (resid 150 and name hn  )  4.5  4.5  0.0 !3D 1474
assign (resid 148 and name hd2*) (resid 151 and name hd1*)  4.0  4.0  0.0 !3D 3265
assign (resid 148 and name hn  ) (resid 151 and name hd1*)  4.5  4.5  0.0 !3D 56  
assign (resid 148 and name hd2*) (resid 151 and name hg  )  4.5  4.5  0.0 !3D 4527
assign (resid 148 and name ha  ) (resid 151 and name hd1*)  5.5  5.5  0.0 !2D 5812
assign (resid 154 and name hg2*) (resid 156 and name ha  )  4.5  4.5  0.0 !2D 1292
assign (resid 154 and name hg2*) (resid 156 and name hn  )  5.5  5.5  0.0 !3D 3954
assign (resid 156 and name hb* ) (resid 158 and name ha  )  6.0  6.0  0.0 !2D 5789
assign (resid 156 and name hb2 ) (resid 158 and name he1 )  3.5  3.5  0.0 !2D 64  
assign (resid 156 and name ha  ) (resid 158 and name he1 )  5.5  5.5  0.0 !2D 38  
assign (resid 156 and name hb2 ) (resid 158 and name hd1 )  4.5  4.5  0.0 !2D 547 
assign (resid 156 and name hb1 ) (resid 158 and name hd1 )  4.5  4.5  0.0 !2D 548 
assign (resid 133 and name ha  ) (resid 158 and name he3 )  5.5  5.5  0.0 !2D 5813
!Sequential NOEs
!HN(i) - HN(i+1)
assign (resid   3 and name hn  ) (resid   4 and name hn  )  5.5  5.5  0.0 !3D 4083
assign (resid   4 and name hn  ) (resid   5 and name hn  )  5.5  5.5  0.0 !3D 4595
assign (resid   7 and name hn  ) (resid   8 and name hn  )  5.5  5.5  0.0 !3D 4411
assign (resid  10 and name hn  ) (resid  11 and name hn  )  5.5  5.5  0.0 !3D 3793
assign (resid  11 and name hn  ) (resid  12 and name hn  )  5.5  5.5  0.0 !3D 4563
assign (resid  13 and name hn  ) (resid  14 and name hn  )  4.5  4.5  0.0 !3D 2836
assign (resid  15 and name hn  ) (resid  16 and name hn  )  4.5  4.5  0.0 !3D 4596
assign (resid  16 and name hn  ) (resid  17 and name hn  )  5.5  5.5  0.0 !3D 4575
assign (resid  17 and name hn  ) (resid  18 and name hn  )  4.5  4.5  0.0 !3D 4311
assign (resid  25 and name hn  ) (resid  26 and name hn  )  5.5  5.5  0.0 !3D 4354
assign (resid  26 and name hn  ) (resid  27 and name hn  )  4.5  4.5  0.0 !3D 4352
assign (resid  27 and name hn  ) (resid  28 and name hn  )  3.5  3.5  0.0 !3D 1735
assign (resid  29 and name hn  ) (resid  30 and name hn  )  3.5  3.5  0.0 !3D 1056
assign (resid  30 and name hn  ) (resid  31 and name hn  )  4.5  4.5  0.0 !3D 4108
assign (resid  32 and name hn  ) (resid  33 and name hn  )  3.5  3.5  0.0 !3D 4460
assign (resid  33 and name hn  ) (resid  34 and name hn  )  5.5  5.5  0.0 !3D 4570
assign (resid  34 and name hn  ) (resid  35 and name hn  )  3.5  3.5  0.0 !3D 3288
assign (resid  35 and name hn  ) (resid  36 and name hn  )  5.5  5.5  0.0 !3D 4125
assign (resid  36 and name hn  ) (resid  37 and name hn  )  3.5  3.5  0.0 !3D 3745
assign (resid  38 and name hn  ) (resid  39 and name hn  )  5.5  5.5  0.0 !3D 3678
assign (resid  43 and name hn  ) (resid  44 and name hn  )  4.5  4.5  0.0 !3D 4438
assign (resid  44 and name hn  ) (resid  45 and name hn  )  3.5  3.5  0.0 !3D 4434
assign (resid  45 and name hn  ) (resid  46 and name hn  )  3.5  3.5  0.0 !3D 1618
assign (resid  46 and name hn  ) (resid  47 and name hn  )  4.5  4.5  0.0 !3D 4533
assign (resid  47 and name hn  ) (resid  48 and name hn  )  3.5  3.5  0.0 !3D 3172
assign (resid  48 and name hn  ) (resid  49 and name hn  )  4.5  4.5  0.0 !3D 4357
assign (resid  51 and name hn  ) (resid  52 and name hn  )  4.5  4.5  0.0 !3D 3153
assign (resid  56 and name hn  ) (resid  57 and name hn  )  4.5  4.5  0.0 !3D 3781
assign (resid  60 and name hn  ) (resid  61 and name hn  )  6.0  6.0  0.0 !3D 4599
assign (resid  61 and name hn  ) (resid  62 and name hn  )  5.5  5.5  0.0 !3D 3690
assign (resid  62 and name hn  ) (resid  63 and name hn  )  5.5  5.5  0.0 !3D 3864
assign (resid  63 and name hn  ) (resid  64 and name hn  )  4.5  4.5  0.0 !3D 12  
assign (resid  64 and name hn  ) (resid  65 and name hn  )  5.5  5.5  0.0 !3D 3969
assign (resid  66 and name hn  ) (resid  67 and name hn  )  3.5  3.5  0.0 !3D 3695
assign (resid  67 and name hn  ) (resid  68 and name hn  )  5.5  5.5  0.0 !3D 4351
assign (resid  68 and name hn  ) (resid  69 and name hn  )  5.5  5.5  0.0 !3D 3701
assign (resid  72 and name hn  ) (resid  73 and name hn  )  3.5  3.5  0.0 !3D 4470
assign (resid  77 and name hn  ) (resid  78 and name hn  )  5.5  5.5  0.0 !3D 3777
assign (resid  78 and name hn  ) (resid  79 and name hn  )  4.5  4.5  0.0 !3D 4266
assign (resid  81 and name hn  ) (resid  82 and name hn  )  3.5  3.5  0.0 !3D 4181
assign (resid  82 and name hn  ) (resid  83 and name hn  )  3.5  3.5  0.0 !3D 1579
assign (resid  83 and name hn  ) (resid  84 and name hn  )  4.5  4.5  0.0 !3D 1577
assign (resid  84 and name hn  ) (resid  85 and name hn  )  4.5  4.5  0.0 !3D 4182
assign (resid  85 and name hn  ) (resid  86 and name hn  )  4.5  4.5  0.0 !3D 1313
assign (resid  86 and name hn  ) (resid  87 and name hn  )  3.5  3.5  0.0 !3D 1144
assign (resid  87 and name hn  ) (resid  88 and name hn  )  3.5  3.5  0.0 !3D 3249
assign (resid  88 and name hn  ) (resid  89 and name hn  )  5.5  5.5  0.0 !3D 4372
assign (resid  91 and name hn  ) (resid  92 and name hn  )  3.5  3.5  0.0 !3D 2356
assign (resid  92 and name hn  ) (resid  93 and name hn  )  5.5  5.5  0.0 !3D 1346
assign (resid  94 and name hn  ) (resid  95 and name hn  )  5.0  5.0  0.0 !3D 3726
assign (resid  97 and name hn  ) (resid  98 and name hn  )  4.5  4.5  0.0 !3D 3636
assign (resid  99 and name hn  ) (resid 100 and name hn  )  4.5  4.5  0.0 !3D 2009
assign (resid 100 and name hn  ) (resid 101 and name hn  )  3.5  3.5  0.0 !3D 3735
assign (resid 101 and name hn  ) (resid 102 and name hn  )  4.5  4.5  0.0 !3D 3720
assign (resid 102 and name hn  ) (resid 103 and name hn  )  5.5  5.5  0.0 !3D 4086
assign (resid 103 and name hn  ) (resid 104 and name hn  )  3.5  3.5  0.0 !3D 4113
assign (resid 104 and name hn  ) (resid 105 and name hn  )  5.5  5.5  0.0 !3D 4366
assign (resid 105 and name hn  ) (resid 106 and name hn  )  3.5  3.5  0.0 !3D 4448
assign (resid 107 and name hn  ) (resid 108 and name hn  )  3.5  3.5  0.0 !3D 1580
assign (resid 108 and name hn  ) (resid 109 and name hn  )  4.5  4.5  0.0 !3D 4280
assign (resid 109 and name hn  ) (resid 110 and name hn  )  4.5  4.5  0.0 !3D 4343
assign (resid 110 and name hn  ) (resid 111 and name hn  )  5.5  5.5  0.0 !3D 4339
assign (resid 111 and name hn  ) (resid 112 and name hn  )  5.5  5.5  0.0 !3D 3764
assign (resid 112 and name hn  ) (resid 113 and name hn  )  5.5  5.5  0.0 !3D 4315
assign (resid 114 and name hn  ) (resid 115 and name hn  )  6.0  6.0  0.0 !3D 4606
assign (resid 115 and name hn  ) (resid 116 and name hn  )  5.5  5.5  0.0 !3D 4068
assign (resid 119 and name hn  ) (resid 120 and name hn  )  3.5  3.5  0.0 !3D 4114
assign (resid 120 and name hn  ) (resid 121 and name hn  )  5.5  5.5  0.0 !3D 2920
assign (resid 121 and name hn  ) (resid 122 and name hn  )  5.5  5.5  0.0 !3D 3787
assign (resid 122 and name hn  ) (resid 123 and name hn  )  5.5  5.5  0.0 !3D 4610
assign (resid 123 and name hn  ) (resid 124 and name hn  )  5.5  5.5  0.0 !3D 4609
assign (resid 125 and name hn  ) (resid 126 and name hn  )  5.5  5.5  0.0 !3D 4331
assign (resid 132 and name hn  ) (resid 133 and name hn  )  5.5  5.5  0.0 !3D 4246
assign (resid 133 and name hn  ) (resid 134 and name hn  )  5.5  5.5  0.0 !3D 4397
assign (resid 134 and name hn  ) (resid 135 and name hn  )  3.5  3.5  0.0 !3D 2589
assign (resid 135 and name hn  ) (resid 136 and name hn  )  3.0  3.0  0.0 !3D 4309
assign (resid 137 and name hn  ) (resid 138 and name hn  )  5.5  5.5  0.0 !3D 3804
assign (resid 138 and name hn  ) (resid 139 and name hn  )  5.5  5.5  0.0 !3D 3923
assign (resid 139 and name hn  ) (resid 140 and name hn  )  3.5  3.5  0.0 !3D 3007
assign (resid 140 and name hn  ) (resid 141 and name hn  )  5.5  5.5  0.0 !3D 4375
assign (resid 141 and name hn  ) (resid 142 and name hn  )  5.5  5.5  0.0 !3D 4376
assign (resid 142 and name hn  ) (resid 143 and name hn  )  5.0  5.0  0.0 !3D 3724
assign (resid 147 and name hn  ) (resid 148 and name hn  )  3.5  3.5  0.0 !3D 1254
assign (resid 150 and name hn  ) (resid 151 and name hn  )  3.5  3.5  0.0 !3D 2639
assign (resid 154 and name hn  ) (resid 155 and name hn  )  6.0  6.0  0.0 !3D 4614
assign (resid 156 and name hn  ) (resid 157 and name hn  )  6.0  6.0  0.0 !3D 4615
assign (resid 157 and name hn  ) (resid 158 and name hn  )  5.5  5.5  0.0 !3D 4009
assign (resid 161 and name hn  ) (resid 162 and name hn  )  5.5  5.5  0.0 !3D 1277
!Ha(i) - HN(i+1)
assign (resid   1 and name ha  ) (resid   2 and name hn  )  2.5  2.5  0.0 !3D 641 
assign (resid   2 and name ha  ) (resid   3 and name hn  )  2.5  2.5  0.0 !3D 538 
assign (resid   3 and name ha  ) (resid   4 and name hn  )  3.0  3.0  0.0 !3D 751 
assign (resid   4 and name ha  ) (resid   5 and name hn  )  2.5  2.5  0.0 !3D 323 
assign (resid   5 and name ha  ) (resid   6 and name hn  )  3.5  3.5  0.0 !3D 4   
assign (resid   6 and name ha  ) (resid   7 and name hn  )  2.5  2.5  0.0 !3D 2266
assign (resid   7 and name ha  ) (resid   8 and name hn  )  3.5  3.5  0.0 !3D 914 
assign (resid   8 and name ha  ) (resid   9 and name hn  )  3.5  3.5  0.0 !3D 2876
assign (resid  10 and name hn  ) (resid  11 and name ha* )  5.5  5.5  0.0 !3D 4240
assign (resid  11 and name ha* ) (resid  12 and name hn  )  4.5  4.5  0.0 !3D 4240
assign (resid  12 and name ha  ) (resid  13 and name hn  )  2.5  2.5  0.0 !3D 2313
assign (resid  14 and name ha* ) (resid  15 and name hn  )  2.5  2.5  0.0 !3D 661 
assign (resid  18 and name ha  ) (resid  19 and name hn  )  4.0  4.0  0.0 !3D 3740
assign (resid  16 and name ha  ) (resid  17 and name hn  )  3.5  3.5  0.0 !3D 2332
assign (resid  17 and name ha* ) (resid  18 and name hn  )  3.5  3.5  0.0 !3D 4306
assign (resid  20 and name ha  ) (resid  21 and name hn  )  4.0  4.0  0.0 !3D 3655
assign (resid  22 and name ha  ) (resid  23 and name hn  )  3.5  3.5  0.0 !3D 541 
assign (resid  26 and name ha  ) (resid  27 and name hn  )  5.5  5.5  0.0 !3D 4243
assign (resid  27 and name ha  ) (resid  28 and name hn  )  4.5  4.5  0.0 !3D 1007
assign (resid  28 and name ha  ) (resid  29 and name hn  )  4.5  4.5  0.0 !3D 1063
assign (resid  32 and name ha  ) (resid  33 and name hn  )  4.5  4.5  0.0 !3D 2739
assign (resid  33 and name ha  ) (resid  34 and name hn  )  4.0  4.0  0.0 !3D 3282
assign (resid  34 and name ha  ) (resid  35 and name hn  )  4.0  4.0  0.0 !3D 1503
assign (resid  35 and name ha  ) (resid  36 and name hn  )  2.5  2.5  0.0 !3D 2238
assign (resid  36 and name ha* ) (resid  37 and name hn  )  3.5  3.5  0.0 !3D 1359
assign (resid  37 and name ha  ) (resid  38 and name hn  )  3.5  3.5  0.0 !3D 884 
assign (resid  39 and name ha  ) (resid  40 and name hn  )  2.5  2.5  0.0 !3D 412 
assign (resid  40 and name ha  ) (resid  41 and name hn  )  2.5  2.5  0.0 !3D 481 
assign (resid  41 and name ha  ) (resid  42 and name hn  )  3.0  3.0  0.0 !3D 2284
assign (resid  42 and name ha* ) (resid  43 and name hn  )  2.5  2.5  0.0 !3D 1726
assign (resid  44 and name ha  ) (resid  45 and name hn  )  4.5  4.5  0.0 !3D 1643
assign (resid  45 and name ha  ) (resid  46 and name hn  )  4.5  4.5  0.0 !3D 3737
assign (resid  47 and name ha  ) (resid  48 and name hn  )  4.0  4.0  0.0 !3D 2980
assign (resid  48 and name ha  ) (resid  49 and name hn  )  4.5  4.5  0.0 !3D 1911
assign (resid  50 and name ha  ) (resid  51 and name hn  )  4.0  4.0  0.0 !3D 3161
assign (resid  51 and name ha  ) (resid  52 and name hn  )  2.5  2.5  0.0 !3D 1102
assign (resid  53 and name ha  ) (resid  54 and name hn  )  3.5  3.5  0.0 !3D 174 
assign (resid  55 and name ha  ) (resid  56 and name hn  )  3.5  3.5  0.0 !3D 2276
assign (resid  56 and name ha  ) (resid  57 and name hn  )  3.5  3.5  0.0 !3D 2881
assign (resid  57 and name ha  ) (resid  58 and name hn  )  3.0  3.0  0.0 !3D 915 
assign (resid  57 and name hn  ) (resid  58 and name ha  )  5.5  5.5  0.0 !3D 4443
assign (resid  58 and name ha  ) (resid  59 and name hn  )  2.5  2.5  0.0 !3D 100 
assign (resid  59 and name ha  ) (resid  60 and name hn  )  2.5  2.5  0.0 !3D 387 
assign (resid  60 and name ha  ) (resid  61 and name hn  )  2.5  2.5  0.0 !3D 680 
assign (resid  61 and name ha  ) (resid  62 and name hn  )  2.5  2.5  0.0 !3D 1524
assign (resid  62 and name ha  ) (resid  63 and name hn  )  2.5  2.5  0.0 !3D 1160
assign (resid  63 and name ha  ) (resid  64 and name hn  )  3.5  3.5  0.0 !3D 14  
assign (resid  64 and name ha  ) (resid  65 and name hn  )  4.5  4.5  0.0 !3D 3731
assign (resid  65 and name ha  ) (resid  66 and name hn  )  3.0  3.0  0.0 !3D 546 
assign (resid  66 and name ha  ) (resid  67 and name hn  )  4.5  4.5  0.0 !3D 2475
assign (resid  67 and name ha  ) (resid  68 and name hn  )  3.5  3.5  0.0 !3D 1873
assign (resid  67 and name hn  ) (resid  68 and name ha  )  6.5  6.5  0.0 !3D 4601
assign (resid  68 and name ha  ) (resid  69 and name hn  )  2.5  2.5  0.0 !3D 1410
assign (resid  69 and name ha  ) (resid  70 and name hn  )  2.5  2.5  0.0 !3D 831 
assign (resid  70 and name ha  ) (resid  71 and name hn  )  2.5  2.5  0.0 !3D 728 
assign (resid  71 and name ha  ) (resid  72 and name hn  )  3.5  3.5  0.0 !3D 2374
assign (resid  72 and name ha* ) (resid  73 and name hn  )  3.5  3.5  0.0 !3D 1251
assign (resid  74 and name ha  ) (resid  75 and name hn  )  3.0  2.0  0.0 !3D 995 
assign (resid  75 and name ha  ) (resid  76 and name hn  )  2.5  2.5  0.0 !3D 696 
assign (resid  76 and name ha  ) (resid  77 and name hn  )  3.0  3.0  0.0 !3D 2432
assign (resid  77 and name ha  ) (resid  78 and name hn  )  3.5  3.5  0.0 !3D 3077
assign (resid  78 and name ha  ) (resid  79 and name hn  )  2.5  2.5  0.0 !3D 852 
assign (resid  79 and name ha  ) (resid  80 and name hn  )  4.5  4.5  0.0 !3D 972 
assign (resid  85 and name ha  ) (resid  86 and name hn  )  4.5  4.5  0.0 !3D 604 
assign (resid  88 and name ha  ) (resid  89 and name hn  )  4.5  4.5  0.0 !3D 1610
assign (resid  91 and name ha  ) (resid  92 and name hn  )  4.5  4.5  0.0 !3D 1357
assign (resid  92 and name ha  ) (resid  93 and name hn  )  3.5  3.5  0.0 !3D 968 
assign (resid  93 and name ha  ) (resid  94 and name hn  )  3.5  3.5  0.0 !3D 812 
assign (resid  94 and name ha  ) (resid  95 and name hn  )  2.5  2.5  0.0 !3D 235 
assign (resid  95 and name ha  ) (resid  96 and name hn  )  2.5  2.5  0.0 !3D 129 
assign (resid  96 and name ha  ) (resid  97 and name hn  )  2.5  2.5  0.0 !3D 390 
assign (resid  98 and name ha* ) (resid  99 and name hn  )  4.5  4.5  0.0 !3D 4502
assign (resid  98 and name hn  ) (resid  99 and name ha* )  5.5  5.5  0.0 !3D 4585
assign (resid  99 and name ha* ) (resid 100 and name hn  )  2.5  2.5  0.0 !3D 2050
assign (resid 102 and name ha  ) (resid 103 and name hn  )  4.0  4.0  0.0 !3D 856 
assign (resid 106 and name ha  ) (resid 107 and name hn  )  3.5  3.5  0.0 !3D 1597
assign (resid 107 and name ha  ) (resid 108 and name hn  )  4.5  4.5  0.0 !3D 681 
assign (resid 108 and name ha  ) (resid 109 and name hn  )  4.5  4.5  0.0 !3D 4280
assign (resid 109 and name ha  ) (resid 110 and name hn  )  3.5  3.5  0.0 !3D 3344
assign (resid 110 and name ha  ) (resid 111 and name hn  )  2.5  2.5  0.0 !3D 793 
assign (resid 112 and name ha  ) (resid 113 and name hn  )  2.5  2.5  0.0 !3D 185 
assign (resid 113 and name ha  ) (resid 114 and name hn  )  2.5  2.5  0.0 !3D 261 
assign (resid 114 and name ha  ) (resid 115 and name hn  )  2.5  2.5  0.0 !3D 1235
assign (resid 115 and name ha  ) (resid 116 and name hn  )  2.5  2.5  0.0 !3D 624 
assign (resid 116 and name ha  ) (resid 117 and name hn  )  2.5  2.5  0.0 !3D 331 
assign (resid 118 and name ha  ) (resid 119 and name hn  )  3.0  3.0  0.0 !3D 1022
assign (resid 119 and name ha  ) (resid 120 and name hn  )  4.5  4.5  0.0 !3D 4576
assign (resid 119 and name hn  ) (resid 120 and name ha1 )  5.5  5.5  0.0 !3D 4098
assign (resid 120 and name ha* ) (resid 121 and name hn  )  2.5  2.5  0.0 !3D 2943
assign (resid 121 and name ha  ) (resid 122 and name hn  )  2.5  2.5  0.0 !3D 128 
assign (resid 122 and name ha  ) (resid 123 and name hn  )  2.5  2.5  0.0 !3D 1111
assign (resid 123 and name ha  ) (resid 124 and name hn  )  2.5  2.5  0.0 !3D 3790
assign (resid 124 and name ha* ) (resid 125 and name hn  )  3.5  3.5  0.0 !3D 2485
assign (resid 124 and name hn  ) (resid 125 and name ha  )  6.0  6.0  0.0 !3D 4611
assign (resid 126 and name ha  ) (resid 127 and name hn  )  2.5  2.5  0.0 !3D 463 
assign (resid 127 and name ha  ) (resid 128 and name hn  )  3.0  3.0  0.0 !3D 436 
assign (resid 128 and name ha  ) (resid 129 and name hn  )  2.5  2.5  0.0 !3D 1846
assign (resid 130 and name ha  ) (resid 131 and name hn  )  2.5  2.5  0.0 !3D 1684
assign (resid 131 and name ha  ) (resid 132 and name hn  )  3.0  3.0  0.0 !3D 572 
assign (resid 132 and name ha  ) (resid 133 and name hn  )  3.0  3.0  0.0 !3D 1387
assign (resid 134 and name ha  ) (resid 135 and name hn  )  4.0  4.0  0.0 !3D 1203
assign (resid 136 and name ha  ) (resid 137 and name hn  )  3.0  3.0  0.0 !3D 2206
assign (resid 137 and name ha  ) (resid 138 and name hn  )  2.5  2.5  0.0 !3D 752 
assign (resid 138 and name ha  ) (resid 139 and name hn  )  2.5  2.5  0.0 !3D 369 
assign (resid 140 and name ha  ) (resid 141 and name hn  )  3.0  3.0  0.0 !3D 2693
assign (resid 142 and name ha  ) (resid 143 and name hn  )  2.5  2.5  0.0 !3D 439 
assign (resid 143 and name ha  ) (resid 144 and name hn  )  2.5  2.5  0.0 !3D 403 
assign (resid 144 and name ha  ) (resid 145 and name hn  )  2.5  2.5  0.0 !3D 783 
assign (resid 145 and name ha  ) (resid 146 and name hn  )  2.5  2.5  0.0 !3D 1076
assign (resid 146 and name ha  ) (resid 147 and name hn  )  3.0  3.0  0.0 !3D 1266
assign (resid 147 and name ha  ) (resid 148 and name hn  )  4.5  4.5  0.0 !3D 75  
assign (resid 149 and name ha  ) (resid 150 and name hn  )  4.5  4.5  0.0 !3D 1477
assign (resid 152 and name ha  ) (resid 153 and name hn  )  2.5  2.5  0.0 !3D 768 
assign (resid 153 and name ha  ) (resid 154 and name hn  )  3.0  3.0  0.0 !3D 2460
assign (resid 154 and name ha  ) (resid 155 and name hn  )  2.5  2.5  0.0 !3D 437 
assign (resid 155 and name ha  ) (resid 156 and name hn  )  2.5  2.5  0.0 !3D 144 
assign (resid 156 and name ha  ) (resid 157 and name hn  )  2.5  2.5  0.0 !3D 1201
assign (resid 157 and name ha  ) (resid 158 and name hn  )  2.5  2.5  0.0 !3D 39  
assign (resid 158 and name ha  ) (resid 159 and name hn  )  2.5  2.5  0.0 !3D 213 
assign (resid 159 and name ha  ) (resid 160 and name hn  )  2.5  2.5  0.0 !3D 567 
assign (resid 160 and name ha  ) (resid 161 and name hn  )  2.5  2.5  0.0 !3D 776 
assign (resid 161 and name ha  ) (resid 162 and name hn  )  3.0  3.0  0.0 !3D 1308
!Hb(i) - HN(i+1)
assign (resid   2 and name hb* ) (resid   3 and name hn  )  3.5  3.5  0.0 !3D 552 
assign (resid   3 and name hb1 ) (resid   4 and name hn  )  4.5  4.5  0.0 !3D 733 
assign (resid   3 and name hb2 ) (resid   4 and name hn  )  5.0  5.0  0.0 !3D 3714
assign (resid   4 and name hb* ) (resid   5 and name hn  )  4.5  4.5  0.0 !3D 3880
assign (resid   5 and name hb1 ) (resid   6 and name hn  )  4.5  4.5  0.0 !3D 7   
assign (resid   5 and name hb2 ) (resid   6 and name hn  )  3.5  3.5  0.0 !3D 6   
assign (resid   6 and name hb* ) (resid   7 and name hn  )  4.5  4.5  0.0 !3D 2271
assign (resid   7 and name hb2 ) (resid   8 and name hn  )  3.5  3.5  0.0 !3D 922 
assign (resid   7 and name hb1 ) (resid   8 and name hn  )  5.5  5.5  0.0 !3D 4160
assign (resid   8 and name hb* ) (resid   9 and name hn  )  3.5  3.5  0.0 !3D 2882
assign (resid   9 and name hb2 ) (resid  10 and name hn  )  4.5  4.5  0.0 !3D 3759
assign (resid   9 and name hb1 ) (resid  10 and name hn  )  5.5  5.5  0.0 !3D 3760
assign (resid  10 and name hb* ) (resid  11 and name hn  )  3.5  3.5  0.0 !3D 3793
assign (resid  11 and name hn  ) (resid  12 and name hb2 )  5.5  5.5  0.0 !3D 4563
assign (resid  12 and name hb1 ) (resid  13 and name hn  )  4.5  4.5  0.0 !3D 3783
assign (resid  15 and name hb1 ) (resid  16 and name hn  )  5.5  5.5  0.0 !3D 3669
assign (resid  18 and name hb* ) (resid  19 and name hn  )  4.5  4.5  0.0 !3D 494 
assign (resid  20 and name hb2 ) (resid  21 and name hn  )  3.5  3.5  0.0 !3D 3656
assign (resid  21 and name hb1 ) (resid  22 and name hn  )  4.5  4.5  0.0 !3D 626 
assign (resid  21 and name hb2 ) (resid  22 and name hn  )  5.5  5.5  0.0 !3D 3749
assign (resid  24 and name hb* ) (resid  25 and name hn  )  3.5  3.5  0.0 !3D 2405
assign (resid  25 and name hb1 ) (resid  26 and name hn  )  4.5  4.5  0.0 !3D 3771
assign (resid  26 and name hb2 ) (resid  27 and name hn  )  4.5  4.5  0.0 !3D 1730
assign (resid  26 and name hb1 ) (resid  27 and name hn  )  4.5  4.5  0.0 !3D 4241
assign (resid  27 and name hb1 ) (resid  28 and name hn  )  4.5  4.5  0.0 !3D 3739
assign (resid  27 and name hb2 ) (resid  28 and name hn  )  4.5  4.5  0.0 !3D 1009
assign (resid  28 and name hb2 ) (resid  29 and name hn  )  3.5  3.5  0.0 !3D 1065
assign (resid  29 and name hb1 ) (resid  30 and name hn  )  4.5  4.5  0.0 !3D 290 
assign (resid  30 and name hb1 ) (resid  31 and name hn  )  3.5  3.5  0.0 !3D 1413
assign (resid  31 and name hb2 ) (resid  32 and name hn  )  4.5  4.5  0.0 !3D 1334
assign (resid  31 and name hb1 ) (resid  32 and name hn  )  4.5  4.5  0.0 !3D 1335
assign (resid  31 and name hn  ) (resid  32 and name hb* )  5.5  5.5  0.0 !3D 1420
assign (resid  35 and name hb  ) (resid  36 and name hn  )  4.5  4.5  0.0 !3D 2240
assign (resid  37 and name hb1 ) (resid  38 and name hn  )  3.5  3.5  0.0 !3D 886 
assign (resid  37 and name hb2 ) (resid  38 and name hn  )  4.5  4.5  0.0 !3D 889 
assign (resid  39 and name hb1 ) (resid  40 and name hn  )  4.5  4.5  0.0 !3D 415 
assign (resid  41 and name hb  ) (resid  42 and name hn  )  3.5  3.5  0.0 !3D 2288
assign (resid  44 and name hb* ) (resid  45 and name hn  )  3.5  3.5  0.0 !3D 1641
assign (resid  46 and name hb1 ) (resid  47 and name hn  )  3.5  3.5  0.0 !3D 4531
assign (resid  45 and name hb  ) (resid  46 and name hn  )  3.5  3.5  0.0 !3D 940 
assign (resid  47 and name hb2 ) (resid  48 and name hn  )  4.5  4.5  0.0 !3D 4356
assign (resid  47 and name hb1 ) (resid  48 and name hn  )  4.5  4.5  0.0 !3D 2982
assign (resid  48 and name hb* ) (resid  49 and name hn  )  4.5  4.5  0.0 !3D 1913
assign (resid  51 and name hb* ) (resid  52 and name hn  )  4.0  4.0  0.0 !3D 1103
assign (resid  53 and name hb* ) (resid  54 and name hn  )  3.5  3.5  0.0 !3D 177 
assign (resid  55 and name hb* ) (resid  56 and name hn  )  4.5  4.5  0.0 !3D 2279
assign (resid  57 and name hb1 ) (resid  58 and name hn  )  4.5  4.5  0.0 !3D 921 
assign (resid  59 and name hb2 ) (resid  60 and name hn  )  4.5  4.5  0.0 !3D 391 
assign (resid  59 and name hb1 ) (resid  60 and name hn  )  3.5  3.5  0.0 !3D 391 
assign (resid  60 and name hb  ) (resid  61 and name hn  )  4.5  4.5  0.0 !3D 697 
assign (resid  61 and name hb  ) (resid  62 and name hn  )  4.5  4.5  0.0 !3D 3862
assign (resid  64 and name hn  ) (resid  65 and name hb* )  5.5  5.5  0.0 !3D 3851
assign (resid  65 and name hb* ) (resid  66 and name hn  )  3.5  3.5  0.0 !3D 550 
assign (resid  66 and name hb* ) (resid  67 and name hn  )  4.5  4.5  0.0 !3D 2479
assign (resid  67 and name hb* ) (resid  68 and name hn  )  4.0  4.0  0.0 !3D 1877
assign (resid  68 and name hb1 ) (resid  69 and name hn  )  5.5  5.5  0.0 !3D 3703
assign (resid  69 and name hb1 ) (resid  70 and name hn  )  4.5  4.5  0.0 !3D 3683
assign (resid  69 and name hb2 ) (resid  70 and name hn  )  5.0  5.0  0.0 !3D 832 
assign (resid  70 and name hb* ) (resid  71 and name hn  )  4.5  4.5  0.0 !3D 739 
assign (resid  71 and name hb* ) (resid  72 and name hn  )  4.5  4.5  0.0 !3D 3786
assign (resid  73 and name hb* ) (resid  74 and name hn  )  3.0  3.0  0.0 !3D 580 
assign (resid  74 and name hb  ) (resid  75 and name hn  )  4.5  4.5  0.0 !3D 3684
assign (resid  75 and name hb  ) (resid  76 and name hn  )  4.5  4.5  0.0 !3D 3796
assign (resid  76 and name hb  ) (resid  77 and name hn  )  3.5  3.5  0.0 !3D 2435
assign (resid  78 and name hb* ) (resid  79 and name hn  )  4.5  4.5  0.0 !3D 859 
assign (resid  79 and name hb  ) (resid  80 and name hn  )  3.5  3.5  0.0 !3D 978 
assign (resid  79 and name hn  ) (resid  80 and name hb* )  5.5  5.5  0.0 !3D 4261
assign (resid  80 and name hb* ) (resid  81 and name hn  )  3.5  3.5  0.0 !3D 924 
assign (resid  80 and name hn  ) (resid  81 and name hb* )  4.5  4.5  0.0 !3D 980 
assign (resid  82 and name hb  ) (resid  83 and name hn  )  3.5  3.5  0.0 !3D 1576
assign (resid  83 and name hb1 ) (resid  84 and name hn  )  4.5  4.5  0.0 !3D 734 
assign (resid  83 and name hb2 ) (resid  84 and name hn  )  3.5  3.5  0.0 !3D 732 
assign (resid  84 and name hn  ) (resid  85 and name hb2 )  5.5  5.5  0.0 !3D 4016
assign (resid  85 and name hb1 ) (resid  86 and name hn  )  3.5  3.5  0.0 !3D 3979
assign (resid  85 and name hb2 ) (resid  86 and name hn  )  4.5  4.5  0.0 !3D 607 
assign (resid  87 and name hn  ) (resid  88 and name hb* )  5.5  5.5  0.0 !3D 4292
assign (resid  87 and name hb1 ) (resid  88 and name hn  )  3.5  3.5  0.0 !3D 3249
assign (resid  88 and name hb* ) (resid  89 and name hn  )  3.5  3.5  0.0 !3D 1615
assign (resid  90 and name hb* ) (resid  91 and name hn  )  4.5  4.5  0.0 !3D 2362
assign (resid  92 and name hb1 ) (resid  93 and name hn  )  4.5  4.5  0.0 !3D 976 
assign (resid  93 and name hb1 ) (resid  94 and name hn  )  3.0  3.0  0.0 !3D 818 
assign (resid  93 and name hb2 ) (resid  94 and name hn  )  4.5  4.5  0.0 !3D 816 
assign (resid  94 and name hb* ) (resid  95 and name hn  )  4.5  4.5  0.0 !3D 238 
assign (resid  95 and name hb  ) (resid  96 and name hn  )  5.5  5.5  0.0 !3D 3845
assign (resid 100 and name hb* ) (resid 101 and name hn  )  3.5  3.5  0.0 !3D 108 
assign (resid 101 and name hn  ) (resid 102 and name hb  )  5.5  5.5  0.0 !3D 4126
assign (resid 101 and name hb1 ) (resid 102 and name hn  )  5.5  5.5  0.0 !3D 4126
assign (resid 103 and name hb2 ) (resid 104 and name hn  )  4.5  4.5  0.0 !3D 2611
assign (resid 103 and name hb1 ) (resid 104 and name hn  )  4.0  4.0  0.0 !3D 2610
assign (resid 104 and name hb  ) (resid 105 and name hn  )  3.5  3.5  0.0 !3D 1458
assign (resid 106 and name hb2 ) (resid 107 and name hn  )  5.5  5.5  0.0 !3D 4149
assign (resid 106 and name hb1 ) (resid 107 and name hn  )  4.5  4.5  0.0 !3D 1599
assign (resid 106 and name hn  ) (resid 107 and name hb2 )  6.0  6.0  0.0 !3D 4447
assign (resid 106 and name hn  ) (resid 107 and name hb1 )  5.5  5.5  0.0 !3D 4446
assign (resid 107 and name hb2 ) (resid 108 and name hn  )  4.5  4.5  0.0 !3D 684 
assign (resid 107 and name hb1 ) (resid 108 and name hn  )  4.5  4.5  0.0 !3D 4270
assign (resid 108 and name hn  ) (resid 109 and name hb2 )  5.5  5.5  0.0 !3D 4274
assign (resid 108 and name hn  ) (resid 109 and name hb1 )  6.5  6.5  0.0 !3D 4273
assign (resid 112 and name hb  ) (resid 113 and name hn  )  5.5  5.5  0.0 !3D 3936
assign (resid 113 and name hb2 ) (resid 114 and name hn  )  4.5  4.5  0.0 !3D 265 
assign (resid 114 and name hb1 ) (resid 115 and name hn  )  5.5  5.5  0.0 !3D 4064
assign (resid 114 and name hb2 ) (resid 115 and name hn  )  5.0  5.0  0.0 !3D 4061
assign (resid 116 and name hb  ) (resid 117 and name hn  )  5.5  5.5  0.0 !3D 3874
assign (resid 117 and name hb1 ) (resid 118 and name hn  )  4.5  4.5  0.0 !3D 3820
assign (resid 117 and name hb2 ) (resid 118 and name hn  )  5.5  5.5  0.0 !3D 3819
assign (resid 118 and name hb1 ) (resid 119 and name hn  )  4.5  4.5  0.0 !3D 1029
assign (resid 119 and name hb* ) (resid 120 and name hn  )  3.5  3.5  0.0 !3D 2668
assign (resid 121 and name hb* ) (resid 122 and name hn  )  4.5  4.5  0.0 !3D 133 
assign (resid 122 and name hb1 ) (resid 123 and name hn  )  3.5  3.5  0.0 !3D 1113
assign (resid 122 and name hb2 ) (resid 123 and name hn  )  4.0  4.0  0.0 !3D 1112
assign (resid 123 and name hb* ) (resid 124 and name hn  )  3.5  3.5  0.0 !3D 2569
assign (resid 125 and name hn  ) (resid 126 and name hb  )  5.5  5.5  0.0 !3D 4386
assign (resid 126 and name hb  ) (resid 127 and name hn  )  4.5  4.5  0.0 !3D 3837
assign (resid 127 and name hb2 ) (resid 128 and name hn  )  4.0  4.0  0.0 !3D 4197
assign (resid 127 and name hb1 ) (resid 128 and name hn  )  4.5  4.5  0.0 !3D 449 
assign (resid 128 and name hb1 ) (resid 129 and name hn  )  4.5  4.5  0.0 !3D 1850
assign (resid 130 and name hb* ) (resid 131 and name hn  )  4.5  4.5  0.0 !3D 1687
assign (resid 131 and name hb1 ) (resid 132 and name hn  )  4.5  4.5  0.0 !3D 594 
assign (resid 131 and name hb2 ) (resid 132 and name hn  )  4.5  4.5  0.0 !3D 585 
assign (resid 132 and name hb1 ) (resid 133 and name hn  )  5.5  5.5  0.0 !3D 3962
assign (resid 132 and name hb2 ) (resid 133 and name hn  )  5.5  5.5  0.0 !3D 1391
assign (resid 134 and name hb2 ) (resid 135 and name hn  )  4.5  4.5  0.0 !3D 1207
assign (resid 135 and name hb1 ) (resid 136 and name hn  )  4.5  4.5  0.0 !3D 1028
assign (resid 135 and name hb2 ) (resid 136 and name hn  )  4.5  4.5  0.0 !3D 4264
assign (resid 136 and name hb2 ) (resid 137 and name hn  )  4.5  4.5  0.0 !3D 2210
assign (resid 137 and name hb  ) (resid 138 and name hn  )  4.5  4.5  0.0 !3D 754 
assign (resid 140 and name hb* ) (resid 141 and name hn  )  3.5  3.5  0.0 !3D 2694
assign (resid 141 and name hb2 ) (resid 142 and name hn  )  5.5  5.5  0.0 !3D 3712
assign (resid 141 and name hb1 ) (resid 142 and name hn  )  4.5  4.5  0.0 !3D 813 
assign (resid 142 and name hb* ) (resid 143 and name hn  )  4.5  4.5  0.0 !3D 447 
assign (resid 143 and name hb  ) (resid 144 and name hn  )  4.5  4.5  0.0 !3D 3670
assign (resid 144 and name hb  ) (resid 145 and name hn  )  4.5  4.5  0.0 !3D 3700
assign (resid 145 and name hb* ) (resid 146 and name hn  )  3.5  3.5  0.0 !3D 1080
assign (resid 146 and name hb1 ) (resid 147 and name hn  )  4.5  4.5  0.0 !3D 1272
assign (resid 146 and name hb2 ) (resid 147 and name hn  )  4.5  4.5  0.0 !3D 1270
assign (resid 147 and name hb  ) (resid 148 and name hn  )  4.0  4.0  0.0 !3D 74  
assign (resid 149 and name hb* ) (resid 150 and name hn  )  3.5  3.5  0.0 !3D 1482
assign (resid 151 and name hb2 ) (resid 152 and name hn  )  5.5  5.5  0.0 !3D 3722
assign (resid 151 and name hn  ) (resid 152 and name hb  )  5.5  5.5  0.0 !3D 2632
assign (resid 153 and name hb1 ) (resid 154 and name hn  )  4.5  4.5  0.0 !3D 2464
assign (resid 153 and name hb2 ) (resid 154 and name hn  )  3.5  3.5  0.0 !3D 4350
assign (resid 154 and name hb  ) (resid 155 and name hn  )  4.5  4.5  0.0 !3D 443 
assign (resid 155 and name hb2 ) (resid 156 and name hn  )  5.5  5.5  0.0 !3D 3723
assign (resid 155 and name hb1 ) (resid 156 and name hn  )  5.5  5.5  0.0 !3D 3955
assign (resid 156 and name hb1 ) (resid 157 and name hn  )  3.5  3.5  0.0 !3D 1211
assign (resid 156 and name hb2 ) (resid 157 and name hn  )  5.0  5.0  0.0 !3D 4005
assign (resid 157 and name hb  ) (resid 158 and name hn  )  5.5  5.5  0.0 !3D 3858
assign (resid 158 and name hb2 ) (resid 159 and name hn  )  4.5  4.5  0.0 !3D 216 
assign (resid 158 and name hb1 ) (resid 159 and name hn  )  4.5  4.5  0.0 !3D 217 
assign (resid 159 and name hb2 ) (resid 160 and name hn  )  4.5  4.5  0.0 !3D 3691
assign (resid 159 and name hb1 ) (resid 160 and name hn  )  4.5  4.5  0.0 !3D 577 
assign (resid 160 and name hb* ) (resid 161 and name hn  )  4.5  4.5  0.0 !3D 3698
assign (resid 161 and name hb1 ) (resid 162 and name hn  )  3.5  3.5  0.0 !3D 1314
assign (resid 161 and name hb2 ) (resid 162 and name hn  )  4.5  4.5  0.0 !3D 1312
!Other sequential NOEs
assign (resid   1 and name hg2*) (resid   2 and name ha  )  4.5  4.5  0.0 !2D 1121
assign (resid   1 and name hg2*) (resid   2 and name hn  )  3.5  3.5  0.0 !3D 643 
assign (resid   2 and name hb* ) (resid   3 and name ha  )  5.5  5.5  0.0 !2D 1160
assign (resid   3 and name hd* ) (resid   4 and name hn  )  4.5  4.5  0.0 !3D 725 
assign (resid   4 and name hn  ) (resid   5 and name he3 )  4.5  4.5  0.0 !3D 3713
assign (resid   4 and name hd1*) (resid   5 and name ha  )  4.5  4.5  0.0 !2D 1194
assign (resid   4 and name hd2*) (resid   5 and name ha  )  5.5  5.5  0.0 !2D 5769
assign (resid   4 and name hg  ) (resid   5 and name ha  )  4.5  4.5  0.0 !2D 1192
assign (resid   4 and name hg  ) (resid   5 and name hn  )  4.5  4.5  0.0 !3D 3881
assign (resid   4 and name ha  ) (resid   5 and name he3 )  3.5  3.5  0.0 !2D 496 
assign (resid   4 and name hd1*) (resid   5 and name hn  )  3.5  3.5  0.0 !3D 328 
assign (resid   5 and name hd1 ) (resid   6 and name hn  )  4.5  4.5  0.0 !3D 3   
assign (resid   5 and name ha  ) (resid   6 and name hb* )  4.5  4.5  0.0 !2D 1193
assign (resid   7 and name hg* ) (resid   8 and name hn  )  4.5  4.5  0.0 !3D 885 
assign (resid   9 and name hg* ) (resid  10 and name hn  )  3.5  3.5  0.0 !3D 877 
assign (resid  12 and name hg  ) (resid  13 and name hn  )  3.5  3.5  0.0 !3D 2314
assign (resid  12 and name hg  ) (resid  13 and name ha  )  4.5  4.5  0.0 !2D 5808
assign (resid  12 and name hb* ) (resid  13 and name ha  )  5.5  5.5  0.0 !2D 1305
assign (resid  12 and name hd1*) (resid  13 and name hn  )  3.5  3.5  0.0 !3D 2316
assign (resid  12 and name hn  ) (resid  13 and name hg2*)  5.5  5.5  0.0 !3D 3919
assign (resid  13 and name hg1*) (resid  14 and name hn  )  3.5  3.5  0.0 !3D 2832
assign (resid  15 and name hg* ) (resid  16 and name hn  )  4.5  4.5  0.0 !3D 29  
assign (resid  17 and name ha1 ) (resid  18 and name hd2 )  5.0  5.0  0.0 !3D 379 
assign (resid  18 and name ha  ) (resid  19 and name hg  )  5.5  5.5  0.0 !2D 1346
assign (resid  19 and name ha  ) (resid  20 and name hd2 )  3.5  3.5  0.0 !2D 5845
assign (resid  19 and name ha  ) (resid  20 and name hd1 )  3.5  3.5  0.0 !2D 2805
assign (resid  19 and name hd2*) (resid  20 and name hd* )  3.5  3.5  0.0 !2D     
assign (resid  19 and name hb1 ) (resid  20 and name hd* )  3.5  3.5  0.0 !2D 5744
assign (resid  19 and name hb1 ) (resid  20 and name ha  )  5.5  5.5  0.0 !2D 5883
assign (resid  20 and name hd* ) (resid  21 and name hn  )  4.5  4.5  0.0 !3D 4538
assign (resid  20 and name hd* ) (resid  21 and name he3 )  4.5  4.5  0.0 !2D 1115
assign (resid  20 and name hb* ) (resid  21 and name he3 )  3.5  3.5  0.0 !2D 1107
assign (resid  20 and name ha  ) (resid  21 and name he3 )  5.5  5.5  0.0 !2D 5797
assign (resid  21 and name hd1 ) (resid  22 and name ha  )  4.5  4.5  0.0 !2D 1007
assign (resid  24 and name hg* ) (resid  25 and name hn  )  4.5  4.5  0.0 !3D 4402
assign (resid  24 and name hd* ) (resid  25 and name hn  )  5.5  5.5  0.0 !3D 4404
assign (resid  27 and name hg  ) (resid  28 and name hn  )  5.5  5.5  0.0 !3D 4046
assign (resid  27 and name hb* ) (resid  28 and name he1 )  5.5  5.5  0.0 !2D 5833
assign (resid  27 and name hd1*) (resid  28 and name he1 )  5.5  5.5  0.0 !2D 5834
assign (resid  27 and name hd1*) (resid  28 and name hn  )  5.5  5.5  0.0 !3D 4045
assign (resid  29 and name hd* ) (resid  30 and name hn  )  4.5  4.5  0.0 !3D 286 
assign (resid  30 and name hd* ) (resid  31 and name ha  )  4.5  4.5  0.0 !2D 870 
assign (resid  30 and name hb1 ) (resid  31 and name hb2 )  4.5  4.5  0.0 !2D 5850
assign (resid  31 and name hg* ) (resid  32 and name hn  )  4.5  4.5  0.0 !3D 1336
assign (resid  31 and name hd* ) (resid  32 and name hn  )  5.5  5.5  0.0 !3D 4055
assign (resid  33 and name hn  ) (resid  34 and name hg1 )  5.0  5.0  0.0 !3D 4458
assign (resid  33 and name hn  ) (resid  34 and name hg2*)  5.5  5.5  0.0 !3D 4456
assign (resid  34 and name hn  ) (resid  35 and name hg2*)  5.5  5.5  0.0 !3D 3744
assign (resid  34 and name hg2*) (resid  35 and name hn  )  5.5  5.5  0.0 !3D 3744
assign (resid  34 and name hg1 ) (resid  35 and name hn  )  4.5  4.5  0.0 !3D 1506
assign (resid  35 and name hg* ) (resid  36 and name hn  )  4.4  4.4  0.0 !3D 2242
assign (resid  37 and name hg* ) (resid  38 and name hn  )  4.5  4.5  0.0 !3D 890 
assign (resid  40 and name ha  ) (resid  41 and name ha  )  5.0  5.0  0.0 !2D 1265
assign (resid  41 and name hg* ) (resid  42 and name hn  )  4.5  4.5  0.0 !3D 2291
assign (resid  41 and name ha  ) (resid  42 and name ha* )  4.5  4.5  0.0 !2D 1257
assign (resid  43 and name hd* ) (resid  44 and name ha* )  4.5  4.5  0.0 !2D 2313
assign (resid  43 and name hd* ) (resid  44 and name ha* )  5.0  5.0  0.0 !2D 2889
assign (resid  43 and name hb1 ) (resid  44 and name hg2 )  5.5  5.5  0.0 !2D 3694
assign (resid  44 and name hn  ) (resid  45 and name hg1 )  5.5  5.5  0.0 !3D 4433
assign (resid  45 and name hg2*) (resid  46 and name hn  )  4.5  4.5  0.0 !3D 944 
assign (resid  49 and name hd* ) (resid  50 and name hd* )  4.5  4.5  0.0 !2D 700 
assign (resid  49 and name ha* ) (resid  50 and name hd1 )  2.5  2.5  0.0 !2D 2285
assign (resid  49 and name ha* ) (resid  50 and name hd2 )  3.5  3.5  0.0 !2D 1999
assign (resid  50 and name hg* ) (resid  51 and name hn  )  3.5  3.5  0.0 !3D 3166
assign (resid  50 and name hd* ) (resid  51 and name hn  )  4.5  4.5  0.0 !3D 4353
assign (resid  52 and name hb1 ) (resid  53 and name ha  )  3.5  3.5  0.0 !2D 1889
assign (resid  52 and name ha  ) (resid  53 and name ha  )  2.5  2.5  0.0 !2D 1754
assign (resid  52 and name hb2 ) (resid  53 and name ha  )  4.5  4.5  0.0 !2D 1749
assign (resid  52 and name hg2 ) (resid  53 and name ha  )  5.0  5.0  0.0 !2D 1755
assign (resid  54 and name ha  ) (resid  55 and name hd1 )  2.5  2.5  0.0 !2D 1802
assign (resid  54 and name ha  ) (resid  55 and name hd2 )  3.5  3.5  0.0 !2D 1799
assign (resid  54 and name hd1*) (resid  55 and name hd* )  5.5  5.5  0.0 !2D 5867
assign (resid  54 and name hd2*) (resid  55 and name hd* )  3.5  3.5  0.0 !2D 5144
assign (resid  56 and name hb2 ) (resid  57 and name hg* )  5.0  5.0  0.0 !2D 4057
assign (resid  57 and name hg* ) (resid  58 and name hn  )  5.5  5.5  0.0 !2D 4232
assign (resid  58 and name hg2*) (resid  59 and name hn  )  3.5  3.5  0.0 !3D 109 
assign (resid  58 and name ha  ) (resid  59 and name hd2*)  4.5  4.5  0.0 !3D 3448
assign (resid  60 and name hg1*) (resid  61 and name hn  )  3.5  3.5  0.0 !3D 700 
assign (resid  61 and name hg1*) (resid  62 and name hn  )  3.5  3.5  0.0 !3D 1527
assign (resid  61 and name hg2*) (resid  62 and name hn  )  4.5  4.5  0.0 !3D 1529
assign (resid  62 and name hd1*) (resid  63 and name hn  )  5.5  5.5  0.0 !3D 1164
assign (resid  62 and name hd2*) (resid  63 and name hn  )  5.5  5.5  0.0 !3D 1163
assign (resid  62 and name hg  ) (resid  63 and name hn  )  4.5  4.5  0.0 !3D 1162
assign (resid  63 and name hg1 ) (resid  64 and name hn  )  4.5  4.5  0.0 !2D Nrej
assign (resid  63 and name hg2*) (resid  64 and name hn  )  5.5  5.5  0.0 !3D 3852
assign (resid  65 and name hg* ) (resid  66 and name hn  )  5.5  5.5  0.0 !3D 3894
assign (resid  68 and name hd* ) (resid  69 and name hn  )  4.5  4.5  0.0 !3D 1405
assign (resid  68 and name hd* ) (resid  69 and name ha  )  5.5  5.5  0.0 !2D 5706
assign (resid  68 and name he* ) (resid  69 and name hn  )  6.0  6.0  0.0 !3D 3896
assign (resid  69 and name hg* ) (resid  70 and name hn  )  5.5  5.5  0.0 !3D 3682
assign (resid  71 and name hg* ) (resid  72 and name hn  )  4.5  4.5  0.0 !3D 2376
assign (resid  74 and name hg1*) (resid  75 and name hn  )  3.5  3.5  0.0 !3D 1001
assign (resid  74 and name hg2*) (resid  75 and name hn  )  4.5  4.5  0.0 !3D 1000
assign (resid  75 and name hg1*) (resid  76 and name hn  )  3.5  3.5  0.0 !3D 698 
assign (resid  75 and name hg2*) (resid  76 and name hn  )  4.5  4.5  0.0 !3D 3799
assign (resid  76 and name hg1*) (resid  77 and name hn  )  4.5  4.5  0.0 !3D 2437
assign (resid  76 and name hg2*) (resid  77 and name hn  )  4.5  4.5  0.0 !3D 2438
assign (resid  79 and name hg1*) (resid  80 and name hn  )  4.5  4.5  0.0 !3D 985 
assign (resid  79 and name hg2*) (resid  80 and name hn  )  4.5  4.5  0.0 !3D 984 
assign (resid  81 and name hn  ) (resid  82 and name hg1*)  6.0  6.0  0.0 !3D 4089
assign (resid  81 and name hn  ) (resid  82 and name hg2*)  5.5  5.5  0.0 !3D 926 
assign (resid  82 and name hg1*) (resid  83 and name hd* )  5.0  5.0  0.0 !2D 300 
assign (resid  83 and name hd* ) (resid  84 and name hn  )  5.5  5.5  0.0 !3D 4013
assign (resid  85 and name hd* ) (resid  86 and name ha  )  4.5  4.5  0.0 !2D 641 
assign (resid  85 and name hd* ) (resid  86 and name hn  )  4.5  4.5  0.0 !3D 602 
assign (resid  87 and name hg* ) (resid  88 and name he2*)  5.5  5.5  0.0 !3D 4484
assign (resid  87 and name hb* ) (resid  88 and name he2*)  5.5  5.5  0.0 !3D 4479
assign (resid  88 and name hg* ) (resid  89 and name hn  )  5.0  5.0  0.0 !3D 1640
assign (resid  88 and name hg* ) (resid  89 and name hd2 )  5.5  5.5  0.0 !2D 949 
assign (resid  89 and name ha  ) (resid  90 and name hd2 )  3.5  3.5  0.0 !2D 1558
assign (resid  89 and name ha  ) (resid  90 and name hd1 )  3.5  3.5  0.0 !2D 1535
assign (resid  90 and name hg* ) (resid  91 and name hn  )  4.5  4.5  0.0 !3D 2364
assign (resid  88 and name hb* ) (resid  89 and name hd2 )  4.0  4.0  0.0 !2D 943 
assign (resid  90 and name hd* ) (resid  91 and name hn  )  4.5  4.5  0.0 !3D 4345
assign (resid  93 and name hg* ) (resid  94 and name hn  )  4.0  4.0  0.0 !3D 815 
assign (resid  94 and name hg* ) (resid  95 and name hn  )  3.5  3.5  0.0 !3D 4593
assign (resid  96 and name ha  ) (resid  97 and name ha  )  5.5  5.5  0.0 !2D 5798
assign (resid  96 and name hd1*) (resid  97 and name hn  )  5.5  5.5  0.0 !3D 3681
assign (resid  96 and name hg2*) (resid  97 and name hn  )  3.5  3.5  0.0 !3D 395 
assign (resid  96 and name hg1*) (resid  97 and name hn  )  5.5  5.5  0.0 !3D 3680
assign (resid 101 and name hb2 ) (resid 102 and name hd1*)  4.5  4.5  0.0 !2D 5477
assign (resid 101 and name hb1 ) (resid 102 and name hd1*)  4.5  4.5  0.0 !2D 5478
assign (resid 101 and name hn  ) (resid 102 and name hd1*)  5.5  5.5  0.0 !3D 4152
assign (resid 102 and name hg2*) (resid 103 and name hn  )  4.5  4.5  0.0 !3D 868 
assign (resid 104 and name hg2*) (resid 105 and name hn  )  4.5  4.5  0.0 !3D 1462
assign (resid 105 and name hb* ) (resid 106 and name hd* )  3.5  3.5  0.0 !2D 184 
assign (resid 105 and name hn  ) (resid 106 and name hd* )  4.5  4.5  0.0 !3D 3734
assign (resid 107 and name hg* ) (resid 108 and name hn  )  3.5  3.5  0.0 !3D 686 
assign (resid 109 and name hn  ) (resid 110 and name hg2*)  5.5  5.5  0.0 !3D 1213
assign (resid 110 and name hg1*) (resid 111 and name hn  )  3.5  3.5  0.0 !3D 796 
assign (resid 112 and name hg2*) (resid 113 and name hn  )  3.5  3.5  0.0 !3D 189 
assign (resid 112 and name ha  ) (resid 113 and name hg  )  4.5  4.5  0.0 !2D 5801
assign (resid 112 and name ha  ) (resid 113 and name hd2*)  5.5  5.5  0.0 !2D 5800
assign (resid 113 and name hd2*) (resid 114 and name hn  )  4.5  4.5  0.0 !3D 267 
assign (resid 114 and name hg  ) (resid 115 and name hn  )  5.5  5.5  0.0 !3D 4062
assign (resid 114 and name hd2*) (resid 115 and name hn  )  4.5  4.5  0.0 !3D 4060
assign (resid 114 and name ha  ) (resid 115 and name hg1*)  4.5  4.5  0.0 !2D 1280
assign (resid 115 and name hg2*) (resid 116 and name hn  )  3.5  3.5  0.0 !3D 629 
assign (resid 115 and name hg1*) (resid 116 and name hn  )  4.5  4.5  0.0 !3D 628 
assign (resid 117 and name hn  ) (resid 118 and name hd1*)  6.0  6.0  0.0 !3D 4606
assign (resid 116 and name hg2*) (resid 117 and name hn  )  3.5  3.5  0.0 !3D 334 
assign (resid 118 and name hd2*) (resid 119 and name hn  )  4.5  4.5  0.0 !3D 4110
assign (resid 118 and name hg  ) (resid 119 and name hn  )  4.5  4.5  0.0 !3D 1032
assign (resid 118 and name hd1*) (resid 119 and name hn  )  5.5  5.5  0.0 !3D 4109
assign (resid 121 and name ha  ) (resid 122 and name hd* )  4.0  4.0  0.0 !2D 207 
assign (resid 122 and name hd* ) (resid 123 and name hn  )  4.5  4.5  0.0 !3D 4217
assign (resid 123 and name hg* ) (resid 124 and name hn  )  4.5  4.5  0.0 !3D 2568
assign (resid 128 and name he* ) (resid 129 and name hn  )  4.5  4.5  0.0 !3D 1853
assign (resid 128 and name hg1 ) (resid 129 and name hn  )  4.5  4.5  0.0 !3D 1848
assign (resid 128 and name he* ) (resid 129 and name hg1*)  3.5  3.5  0.0 !2D 5615
assign (resid 128 and name he* ) (resid 129 and name hd1*)  3.5  3.5  0.0 !2D 5614
assign (resid 131 and name hd1*) (resid 132 and name hn  )  5.5  5.5  0.0 !3D 4244
assign (resid 131 and name hd2*) (resid 132 and name hn  )  3.5  3.5  0.0 !3D 582 
assign (resid 132 and name ha  ) (resid 133 and name hd1 )  4.5  4.5  0.0 !2D 273 
assign (resid 135 and name hb1 ) (resid 136 and name he* )  4.0  4.0  0.0 !2D 729 
assign (resid 135 and name hb2 ) (resid 136 and name he* )  5.0  5.0  0.0 !2D 730 
assign (resid 135 and name hb1 ) (resid 136 and name hd* )  3.5  3.5  0.0 !2D 657 
assign (resid 135 and name hn  ) (resid 136 and name hd* )  4.5  4.5  0.0 !3D 4308
assign (resid 136 and name hd* ) (resid 137 and name hn  )  4.5  4.5  0.0 !3D 2205
assign (resid 137 and name hg2*) (resid 138 and name hb1 )  4.5  4.5  0.0 !2D 5661
assign (resid 137 and name hg2*) (resid 138 and name hn  )  3.5  3.5  0.0 !3D 758 
assign (resid 138 and name hg1 ) (resid 139 and name hn  )  5.5  5.5  0.0 !3D 372 
assign (resid 142 and name hg* ) (resid 143 and name hn  )  5.5  5.5  0.0 !3D 3958
assign (resid 144 and name hg* ) (resid 145 and name hn  )  3.5  3.5  0.0 !3D 787 
assign (resid 145 and name hg* ) (resid 146 and name hn  )  4.5  4.5  0.0 !3D 3915
assign (resid 147 and name hg2*) (resid 148 and name hn  )  4.5  4.5  0.0 !3D 77  
assign (resid 148 and name ha  ) (resid 149 and name hg* )  4.5  4.5  0.0 !2D 1341
assign (resid 148 and name ha  ) (resid 149 and name hd* )  2.5  2.5  0.0 !2D 1340
assign (resid 148 and name hd2*) (resid 149 and name hd* )  5.5  5.5  0.0 !3D 4528
assign (resid 149 and name hg* ) (resid 150 and name hn  )  4.5  4.5  0.0 !3D 1481
assign (resid 149 and name hd* ) (resid 150 and name hn  )  4.5  4.5  0.0 !3D 1479
assign (resid 150 and name hn  ) (resid 151 and name hg  )  4.5  4.5  0.0 !3D 4219
assign (resid 150 and name hn  ) (resid 151 and name hd* )  6.5  6.5  0.0 !3D 4225
assign (resid 151 and name hd1*) (resid 152 and name hn  )  5.5  5.5  0.0 !3D 1717
assign (resid 151 and name hd2*) (resid 152 and name hn  )  5.5  5.5  0.0 !3D 3950
assign (resid 152 and name hg2*) (resid 153 and name ha  )  4.5  4.5  0.0 !2D 1203
assign (resid 152 and name ha  ) (resid 153 and name ha  )  5.5  5.5  0.0 !2D 5774
assign (resid 152 and name ha  ) (resid 153 and name he1 )  5.5  5.5  0.0 !2D 11  
assign (resid 152 and name hg2*) (resid 153 and name hn  )  2.5  2.5  0.0 !3D 769 
assign (resid 153 and name ha  ) (resid 154 and name hg2*)  5.5  5.5  0.0 !2D 5773
assign (resid 153 and name ha  ) (resid 154 and name hb  )  5.5  5.5  0.0 !2D 5776
assign (resid 154 and name hg2*) (resid 155 and name hn  )  3.5  3.5  0.0 !3D 452 
assign (resid 155 and name hd* ) (resid 156 and name hn  )  4.5  4.5  0.0 !3D 3956
assign (resid 156 and name hg* ) (resid 157 and name hn  )  4.5  4.5  0.0 !3D 4004
assign (resid 157 and name hg* ) (resid 158 and name hn  )  3.5  3.5  0.0 !3D 42  
assign (resid 157 and name ha  ) (resid 158 and name hd1 )  3.5  3.5  0.0 !2D 542 
assign (resid 158 and name he3 ) (resid 159 and name hn  )  5.5  5.5  0.0 !3D 4136
assign (resid 159 and name hg* ) (resid 160 and name hn  )  5.5  5.5  0.0 !3D 3890
assign (resid 160 and name hg* ) (resid 161 and name hn  )  3.5  3.5  0.0 !3D 3699
assign (resid 161 and name hd* ) (resid 162 and name hn  )  4.5  4.5  0.0 !3D 1318
assign (resid 161 and name hg* ) (resid 162 and name hn  )  4.5  4.5  0.0 !3D 1316
!Intra-residue NOEs
!Ha(i) - HN(i)
assign (resid   2 and name ha  ) (resid   2 and name hn  )  3.5  3.5  0.0 !3D 638 
assign (resid   3 and name ha  ) (resid   3 and name hn  )  4.5  4.5  0.0 !3D 539 
assign (resid   4 and name ha  ) (resid   4 and name hn  )  3.5  3.5  0.0 !3D 750 
assign (resid   5 and name ha  ) (resid   5 and name hn  )  3.5  3.5  0.0 !3D 324 
assign (resid   6 and name ha  ) (resid   6 and name hn  )  4.5  4.5  0.0 !3D 5   
assign (resid   7 and name ha  ) (resid   7 and name hn  )  3.5  3.5  0.0 !3D 2265
assign (resid   8 and name ha  ) (resid   8 and name hn  )  3.5  3.5  0.0 !3D 3753
assign (resid  12 and name ha  ) (resid  12 and name hn  )  3.5  3.5  0.0 !3D 3709
assign (resid  13 and name ha  ) (resid  13 and name hn  )  3.5  3.5  0.0 !3D 2311
assign (resid  15 and name ha  ) (resid  15 and name hn  )  3.5  3.5  0.0 !3D 662 
assign (resid  18 and name ha  ) (resid  18 and name hn  )  3.5  3.5  0.0 !3D 4303
assign (resid  19 and name ha  ) (resid  19 and name hn  )  5.5  5.5  0.0 !3D 4076
assign (resid  21 and name ha  ) (resid  21 and name hn  )  3.5  3.5  0.0 !3D 3654
assign (resid  22 and name ha  ) (resid  22 and name hn  )  4.5  4.5  0.0 !3D 3746
assign (resid  23 and name ha  ) (resid  23 and name hn  )  4.5  4.5  0.0 !3D 557 
assign (resid  26 and name ha  ) (resid  26 and name hn  )  3.5  3.5  0.0 !3D 3352
assign (resid  27 and name ha  ) (resid  27 and name hn  )  3.5  3.5  0.0 !3D 1739
assign (resid  28 and name ha  ) (resid  28 and name hn  )  3.5  3.5  0.0 !3D 1006
assign (resid  29 and name ha  ) (resid  29 and name hn  )  3.5  3.5  0.0 !3D 1064
assign (resid  30 and name ha  ) (resid  30 and name hn  )  3.5  3.5  0.0 !3D 288 
assign (resid  32 and name ha  ) (resid  32 and name hn  )  3.5  3.5  0.0 !3D 1332
assign (resid  33 and name ha  ) (resid  33 and name hn  )  3.5  3.5  0.0 !3D 2738
assign (resid  34 and name ha  ) (resid  34 and name hn  )  3.5  3.5  0.0 !3D 3281
assign (resid  35 and name ha  ) (resid  35 and name hn  )  3.5  3.5  0.0 !3D 1505
assign (resid  37 and name ha  ) (resid  37 and name hn  )  3.5  3.5  0.0 !3D 1356
assign (resid  40 and name ha  ) (resid  40 and name hn  )  3.5  3.5  0.0 !3D 413 
assign (resid  41 and name ha  ) (resid  41 and name hn  )  3.5  3.5  0.0 !3D 480 
assign (resid  43 and name ha  ) (resid  43 and name hn  )  3.5  3.5  0.0 !3D 1729
assign (resid  44 and name ha  ) (resid  44 and name hn  )  3.5  3.5  0.0 !3D 3385
assign (resid  45 and name ha  ) (resid  45 and name hn  )  3.5  3.5  0.0 !3D 1638
assign (resid  46 and name ha  ) (resid  46 and name hn  )  4.5  4.5  0.0 !3D 4043
assign (resid  47 and name ha  ) (resid  47 and name hn  )  3.5  3.5  0.0 !3D 3176
assign (resid  48 and name ha  ) (resid  48 and name hn  )  3.5  3.5  0.0 !3D 2977
assign (resid  49 and name ha  ) (resid  49 and name hn  )  3.5  3.5  0.0 !3D 1909
assign (resid  51 and name ha  ) (resid  51 and name hn  )  3.5  3.5  0.0 !3D 3769
assign (resid  54 and name ha  ) (resid  54 and name hn  )  3.5  3.5  0.0 !3D 4010
assign (resid  56 and name ha  ) (resid  56 and name hn  )  2.5  2.5  0.0 !3D 2277
assign (resid  57 and name ha  ) (resid  57 and name hn  )  3.5  3.5  0.0 !3D 2878
assign (resid  58 and name ha  ) (resid  58 and name hn  )  3.5  3.5  0.0 !3D 916 
assign (resid  59 and name ha  ) (resid  59 and name hn  )  4.5  4.5  0.0 !3D 3865
assign (resid  60 and name ha  ) (resid  60 and name hn  )  3.5  3.5  0.0 !3D 389 
assign (resid  61 and name ha  ) (resid  61 and name hn  )  3.5  3.5  0.0 !3D 694 
assign (resid  63 and name ha  ) (resid  63 and name hn  )  3.5  3.5  0.0 !3D 1159
assign (resid  65 and name ha  ) (resid  65 and name hn  )  3.5  3.5  0.0 !3D 3732
assign (resid  66 and name ha  ) (resid  66 and name hn  )  3.5  3.5  0.0 !3D 548 
assign (resid  67 and name ha  ) (resid  67 and name hn  )  3.5  3.5  0.0 !3D 2473
assign (resid  68 and name ha  ) (resid  68 and name hn  )  3.5  3.5  0.0 !3D 1874
assign (resid  69 and name ha  ) (resid  69 and name hn  )  3.5  3.5  0.0 !3D 1408
assign (resid  70 and name ha  ) (resid  70 and name hn  )  3.5  3.5  0.0 !3D 830 
assign (resid  71 and name ha  ) (resid  71 and name hn  )  3.5  3.5  0.0 !3D 731 
assign (resid  72 and name ha* ) (resid  72 and name hn  )  3.5  3.5  0.0 !3D 2375
assign (resid  73 and name ha  ) (resid  73 and name hn  )  3.5  3.5  0.0 !3D 3728
assign (resid  74 and name ha  ) (resid  74 and name hn  )  3.5  3.5  0.0 !3D 573 
assign (resid  75 and name ha  ) (resid  75 and name hn  )  3.5  3.5  0.0 !3D 994 
assign (resid  77 and name ha  ) (resid  77 and name hn  )  3.5  3.5  0.0 !3D 2431
assign (resid  78 and name ha  ) (resid  78 and name hn  )  3.5  3.5  0.0 !3D 3078
assign (resid  79 and name ha  ) (resid  79 and name hn  )  3.5  3.5  0.0 !3D 857 
assign (resid  80 and name ha  ) (resid  80 and name hn  )  3.5  3.5  0.0 !3D 971 
assign (resid  81 and name ha  ) (resid  81 and name hn  )  3.5  3.5  0.0 !3D 917 
assign (resid  82 and name ha  ) (resid  82 and name hn  )  3.5  3.5  0.0 !3D 4180
assign (resid  83 and name ha  ) (resid  83 and name hn  )  3.5  3.5  0.0 !3D 1571
assign (resid  84 and name ha  ) (resid  84 and name hn  )  3.5  3.5  0.0 !3D 730 
assign (resid  85 and name ha  ) (resid  85 and name hn  )  3.5  3.5  0.0 !3D 3755
assign (resid  86 and name ha  ) (resid  86 and name hn  )  3.5  3.5  0.0 !3D 605 
assign (resid  87 and name ha  ) (resid  87 and name hn  )  3.5  3.5  0.0 !3D 1142
assign (resid  88 and name ha  ) (resid  88 and name hn  )  3.5  3.5  0.0 !3D 3245
assign (resid  89 and name ha  ) (resid  89 and name hn  )  3.5  3.5  0.0 !3D 1609
assign (resid  91 and name ha  ) (resid  91 and name hn  )  3.5  3.5  0.0 !3D 2359
assign (resid  92 and name ha  ) (resid  92 and name hn  )  3.5  3.5  0.0 !3D 1355
assign (resid  93 and name ha  ) (resid  93 and name hn  )  3.5  3.5  0.0 !3D 970 
assign (resid  94 and name ha  ) (resid  94 and name hn  )  3.5  3.5  0.0 !3D 810 
assign (resid  95 and name ha  ) (resid  95 and name hn  )  3.5  3.5  0.0 !3D 236 
assign (resid  96 and name ha  ) (resid  96 and name hn  )  4.5  4.5  0.0 !3D 131 
assign (resid  97 and name ha  ) (resid  97 and name hn  )  3.5  3.5  0.0 !3D 386 
assign (resid 100 and name ha  ) (resid 100 and name hn  )  3.5  3.5  0.0 !3D 2049
assign (resid 101 and name ha  ) (resid 101 and name hn  )  3.5  3.5  0.0 !3D 101 
assign (resid 102 and name ha  ) (resid 102 and name hn  )  3.5  3.5  0.0 !3D 1831
assign (resid 103 and name ha  ) (resid 103 and name hn  )  3.5  3.5  0.0 !3D 854 
assign (resid 104 and name ha  ) (resid 104 and name hn  )  3.5  3.5  0.0 !3D 2609
assign (resid 105 and name ha  ) (resid 105 and name hn  )  3.5  3.5  0.0 !3D 1459
assign (resid 106 and name ha  ) (resid 106 and name hn  )  3.5  3.5  0.0 !3D 2953
assign (resid 107 and name ha  ) (resid 107 and name hn  )  3.5  3.5  0.0 !3D 1598
assign (resid 108 and name ha  ) (resid 108 and name hn  )  3.5  3.5  0.0 !3D 679 
assign (resid 109 and name ha  ) (resid 109 and name hn  )  3.5  3.5  0.0 !3D 1202
assign (resid 110 and name ha  ) (resid 110 and name hn  )  3.5  3.5  0.0 !3D 3346
assign (resid 111 and name ha  ) (resid 111 and name hn  )  3.5  3.5  0.0 !3D 790 
assign (resid 112 and name ha  ) (resid 112 and name hn  )  3.5  3.5  0.0 !3D 1438
assign (resid 113 and name ha  ) (resid 113 and name hn  )  3.5  3.5  0.0 !3D 186 
assign (resid 114 and name ha  ) (resid 114 and name hn  )  3.5  3.5  0.0 !3D 260 
assign (resid 115 and name ha  ) (resid 115 and name hn  )  3.5  3.5  0.0 !3D 1237
assign (resid 116 and name ha  ) (resid 116 and name hn  )  3.5  3.5  0.0 !3D 620 
assign (resid 117 and name ha  ) (resid 117 and name hn  )  4.5  4.5  0.0 !3D 3875
assign (resid 118 and name ha  ) (resid 118 and name hn  )  3.5  3.5  0.0 !3D 343 
assign (resid 119 and name ha  ) (resid 119 and name hn  )  3.5  3.5  0.0 !3D 1024
assign (resid 121 and name ha  ) (resid 121 and name hn  )  3.5  3.5  0.0 !3D 2941
assign (resid 122 and name ha  ) (resid 122 and name hn  )  3.5  3.5  0.0 !3D 130 
assign (resid 123 and name ha  ) (resid 123 and name hn  )  3.5  3.5  0.0 !3D 4216
assign (resid 125 and name ha  ) (resid 125 and name hn  )  3.5  3.5  0.0 !3D 2483
assign (resid 126 and name ha  ) (resid 126 and name hn  )  3.5  3.5  0.0 !3D 4327
assign (resid 127 and name ha  ) (resid 127 and name hn  )  3.5  3.5  0.0 !3D 462 
assign (resid 128 and name ha  ) (resid 128 and name hn  )  3.5  3.5  0.0 !3D 441 
assign (resid 129 and name ha  ) (resid 129 and name hn  )  3.5  3.5  0.0 !3D 3761
assign (resid 131 and name ha  ) (resid 131 and name hn  )  3.5  3.5  0.0 !3D 1685
assign (resid 132 and name ha  ) (resid 132 and name hn  )  3.5  3.5  0.0 !3D 569 
assign (resid 133 and name ha  ) (resid 133 and name hn  )  3.5  3.5  0.0 !3D 1388
assign (resid 134 and name ha  ) (resid 134 and name hn  )  3.5  3.5  0.0 !3D 2592
assign (resid 136 and name ha  ) (resid 136 and name hn  )  3.5  3.5  0.0 !3D 1020
assign (resid 137 and name ha  ) (resid 137 and name hn  )  3.5  3.5  0.0 !3D 2207
assign (resid 138 and name ha  ) (resid 138 and name hn  )  3.5  3.5  0.0 !3D 755 
assign (resid 139 and name ha  ) (resid 139 and name hn  )  3.5  3.5  0.0 !3D 3708
assign (resid 140 and name ha  ) (resid 140 and name hn  )  3.5  3.5  0.0 !3D 3001
assign (resid 141 and name ha  ) (resid 141 and name hn  )  3.5  3.5  0.0 !3D 2691
assign (resid 142 and name ha  ) (resid 142 and name hn  )  3.5  3.5  0.0 !3D 811 
assign (resid 144 and name ha  ) (resid 144 and name hn  )  3.5  3.5  0.0 !3D 404 
assign (resid 145 and name ha  ) (resid 145 and name hn  )  3.5  3.5  0.0 !3D 782 
assign (resid 146 and name ha  ) (resid 146 and name hn  )  3.5  3.5  0.0 !3D 3705
assign (resid 147 and name ha  ) (resid 147 and name hn  )  3.5  3.5  0.0 !3D 1269
assign (resid 148 and name ha  ) (resid 148 and name hn  )  3.5  3.5  0.0 !3D 52  
assign (resid 150 and name ha  ) (resid 150 and name hn  )  3.5  3.5  0.0 !3D 1480
assign (resid 151 and name ha  ) (resid 151 and name hn  )  3.5  3.5  0.0 !3D 2631
assign (resid 153 and name ha  ) (resid 153 and name hn  )  3.5  3.5  0.0 !3D 766 
assign (resid 154 and name ha  ) (resid 154 and name hn  )  3.5  3.5  0.0 !3D 2461
assign (resid 156 and name ha  ) (resid 156 and name hn  )  3.5  3.5  0.0 !3D 143 
assign (resid 158 and name ha  ) (resid 158 and name hn  )  3.5  3.5  0.0 !3D 38  
assign (resid 159 and name ha  ) (resid 159 and name hn  )  3.5  3.5  0.0 !3D 214 
assign (resid 160 and name ha  ) (resid 160 and name hn  )  3.5  3.5  0.0 !3D 574 
assign (resid 161 and name ha  ) (resid 161 and name hn  )  3.5  3.5  0.0 !3D 775 
assign (resid   3 and name hb1 ) (resid   3 and name hn  )  4.5  4.5  0.0 !3D 549 
assign (resid   3 and name hb2 ) (resid   3 and name hn  )  3.5  3.5  0.0 !3D 3742
assign (resid   4 and name hb2 ) (resid   4 and name hn  )  4.5  4.5  0.0 !3D 757 
assign (resid   4 and name hb1 ) (resid   4 and name hn  )  3.5  3.5  0.0 !3D 756 
assign (resid   5 and name hb2 ) (resid   5 and name hn  )  4.5  4.5  0.0 !3D 3884
!Hb(i) - HN(i)
assign (resid   6 and name hb* ) (resid   6 and name hn  )  3.5  3.5  0.0 !3D 8   
assign (resid   7 and name hb1 ) (resid   7 and name hn  )  3.5  3.5  0.0 !3D 2269
assign (resid   7 and name hb2 ) (resid   7 and name hn  )  4.5  4.5  0.0 !3D 3775
assign (resid   8 and name hb2 ) (resid   8 and name hn  )  4.5  4.5  0.0 !3D 920 
assign (resid   8 and name hb1 ) (resid   8 and name hn  )  3.5  3.5  0.0 !3D 918 
assign (resid   9 and name hb1 ) (resid   9 and name hn  )  3.5  3.5  0.0 !3D 2885
assign (resid  10 and name hb2 ) (resid  10 and name hn  )  3.5  3.5  0.0 !3D 3758
assign (resid  10 and name hb1 ) (resid  10 and name hn  )  4.5  4.5  0.0 !3D 876 
assign (resid  12 and name hb1 ) (resid  12 and name hn  )  3.5  3.5  0.0 !3D 366 
assign (resid  12 and name hb2 ) (resid  12 and name hn  )  3.5  3.5  0.0 !3D 346 
assign (resid  15 and name hb1 ) (resid  15 and name hn  )  3.5  3.5  0.0 !3D 665 
assign (resid  15 and name hb2 ) (resid  15 and name hn  )  3.5  3.5  0.0 !3D 666 
assign (resid  16 and name hb1 ) (resid  16 and name hn  )  4.5  4.5  0.0 !3D 27  
assign (resid  16 and name hb2 ) (resid  16 and name hn  )  4.5  4.5  0.0 !3D 20  
assign (resid  18 and name hb1 ) (resid  18 and name hn  )  3.5  3.5  0.0 !3D 4299
assign (resid  19 and name hb2 ) (resid  19 and name hn  )  3.5  3.5  0.0 !3D 495 
assign (resid  19 and name hb1 ) (resid  19 and name hn  )  4.5  4.5  0.0 !3D 497 
assign (resid  21 and name hb1 ) (resid  21 and name hn  )  4.5  4.5  0.0 !3D 3789
assign (resid  21 and name hb2 ) (resid  21 and name hn  )  4.5  4.5  0.0 !3D 3656
assign (resid  22 and name hb2 ) (resid  22 and name hn  )  5.5  5.5  0.0 !3D 3747
assign (resid  22 and name hb1 ) (resid  22 and name hn  )  5.5  5.5  0.0 !3D 3748
assign (resid  23 and name hb2 ) (resid  23 and name hn  )  5.5  5.5  0.0 !3D 3707
assign (resid  23 and name hb1 ) (resid  23 and name hn  )  5.5  5.5  0.0 !3D 3918
assign (resid  25 and name hb* ) (resid  25 and name hn  )  3.5  3.5  0.0 !3D 2404
assign (resid  26 and name hb2 ) (resid  26 and name hn  )  3.5  3.5  0.0 !3D 3359
assign (resid  26 and name hb1 ) (resid  26 and name hn  )  3.5  3.5  0.0 !3D 3360
assign (resid  27 and name hb2 ) (resid  27 and name hn  )  3.5  3.5  0.0 !3D 1743
assign (resid  27 and name hb1 ) (resid  27 and name hn  )  4.5  4.5  0.0 !3D 1741
assign (resid  28 and name hb2 ) (resid  28 and name hn  )  3.0  3.0  0.0 !3D 1008
assign (resid  29 and name hb1 ) (resid  29 and name hn  )  3.5  3.5  0.0 !3D 1066
assign (resid  30 and name hb1 ) (resid  30 and name hn  )  3.5  3.5  0.0 !3D 291 
assign (resid  31 and name hb1 ) (resid  31 and name hn  )  3.5  3.5  0.0 !3D 1416
assign (resid  31 and name hb2 ) (resid  31 and name hn  )  4.5  4.5  0.0 !3D 1415
assign (resid  32 and name hb* ) (resid  32 and name hn  )  2.5  2.5  0.0 !3D 1338
assign (resid  33 and name hb1 ) (resid  33 and name hn  )  4.0  4.0  0.0 !3D 2743
assign (resid  33 and name hb2 ) (resid  33 and name hn  )  3.0  3.0  0.0 !3D 2741
assign (resid  34 and name hb  ) (resid  34 and name hn  )  4.5  4.5  0.0 !3D 3283
assign (resid  35 and name hb  ) (resid  35 and name hn  )  4.5  4.5  0.0 !3D 1507
assign (resid  37 and name hb2 ) (resid  37 and name hn  )  3.5  3.5  0.0 !3D 1367
assign (resid  37 and name hb1 ) (resid  37 and name hn  )  4.5  4.5  0.0 !3D 1364
assign (resid  38 and name hb  ) (resid  38 and name hn  )  3.5  3.5  0.0 !3D 887 
assign (resid  39 and name hb1 ) (resid  39 and name hn  )  4.5  4.5  0.0 !3D 3674
assign (resid  39 and name hb2 ) (resid  39 and name hn  )  3.5  3.5  0.0 !3D 3673
assign (resid  41 and name hb  ) (resid  41 and name hn  )  4.5  4.5  0.0 !3D 483 
assign (resid  43 and name hb* ) (resid  43 and name hn  )  3.0  3.0  0.0 !3D 1731
assign (resid  44 and name hb* ) (resid  44 and name hn  )  2.5  2.5  0.0 !3D 3386
assign (resid  45 and name hb  ) (resid  45 and name hn  )  3.5  3.5  0.0 !3D 1637
assign (resid  46 and name hb2 ) (resid  46 and name hn  )  3.5  3.5  0.0 !3D 942 
assign (resid  47 and name hb2 ) (resid  47 and name hn  )  3.5  3.5  0.0 !3D 3179
assign (resid  47 and name hb1 ) (resid  47 and name hn  )  4.0  4.0  0.0 !3D 3180
assign (resid  48 and name hb* ) (resid  48 and name hn  )  3.5  3.5  0.0 !3D 2979
assign (resid  49 and name hb* ) (resid  49 and name hn  )  3.5  3.5  0.0 !3D 3991
assign (resid  51 and name hb* ) (resid  51 and name hn  )  3.5  3.5  0.0 !3D 3168
assign (resid  52 and name hb* ) (resid  52 and name hn  )  3.5  3.5  0.0 !3D 1105
assign (resid  54 and name hb2 ) (resid  54 and name hn  )  3.5  3.5  0.0 !3D 4361
assign (resid  54 and name hb1 ) (resid  54 and name hn  )  4.5  4.5  0.0 !3D 180 
assign (resid  56 and name hb2 ) (resid  56 and name hn  )  4.0  4.0  0.0 !3D 2278
assign (resid  57 and name hb2 ) (resid  57 and name hn  )  4.5  4.5  0.0 !3D 2852
assign (resid  58 and name hb  ) (resid  58 and name hn  )  3.5  3.5  0.0 !3D 4362
assign (resid  59 and name hb2 ) (resid  59 and name hn  )  4.5  4.5  0.0 !3D 3866
assign (resid  59 and name hb1 ) (resid  59 and name hn  )  4.5  4.5  0.0 !3D 103 
assign (resid  60 and name hb  ) (resid  60 and name hn  )  3.5  3.5  0.0 !3D 393 
assign (resid  61 and name hb  ) (resid  61 and name hn  )  3.5  3.5  0.0 !3D 687 
assign (resid  62 and name hb* ) (resid  62 and name hn  )  3.5  3.5  0.0 !3D 1526
assign (resid  63 and name hb  ) (resid  63 and name hn  )  4.5  4.5  0.0 !3D 3762
assign (resid  64 and name hb* ) (resid  64 and name hn  )  3.5  3.5  0.0 !3D 17  
assign (resid  65 and name hb* ) (resid  65 and name hn  )  3.5  3.5  0.0 !3D 303 
assign (resid  66 and name hb* ) (resid  66 and name hn  )  3.0  3.0  0.0 !3D 551 
assign (resid  67 and name hb2 ) (resid  67 and name hn  )  3.5  3.5  0.0 !3D 2476
assign (resid  68 and name hb1 ) (resid  68 and name hn  )  3.5  3.5  0.0 !3D 1876
assign (resid  69 and name hb2 ) (resid  69 and name hn  )  4.5  4.5  0.0 !3D 1417
assign (resid  69 and name hb* ) (resid  69 and name hn  )  3.5  3.5  0.0 !3D 1418
assign (resid  70 and name hb* ) (resid  70 and name hn  )  3.5  3.5  0.0 !3D 833 
assign (resid  71 and name hb* ) (resid  71 and name hn  )  2.5  2.5  0.0 !3D 737 
assign (resid  73 and name hb* ) (resid  73 and name hn  )  3.5  3.5  0.0 !3D 1253
assign (resid  74 and name hb  ) (resid  74 and name hn  )  3.0  3.0  0.0 !3D 3727
assign (resid  75 and name hb  ) (resid  75 and name hn  )  3.5  3.5  0.0 !3D 996 
assign (resid  76 and name hb  ) (resid  76 and name hn  )  4.5  4.5  0.0 !3D 736 
assign (resid  77 and name hb1 ) (resid  77 and name hn  )  4.5  4.5  0.0 !3D 2434
assign (resid  77 and name hb2 ) (resid  77 and name hn  )  4.0  4.0  0.0 !3D 2433
assign (resid  78 and name hb* ) (resid  78 and name hn  )  4.5  4.5  0.0 !3D 3080
assign (resid  79 and name hb  ) (resid  79 and name hn  )  3.5  3.5  0.0 !3D 864 
assign (resid  80 and name hb* ) (resid  80 and name hn  )  2.5  2.5  0.0 !3D 981 
assign (resid  81 and name hb* ) (resid  81 and name hn  )  2.5  2.5  0.0 !3D 923 
assign (resid  82 and name hb  ) (resid  82 and name hn  )  3.5  3.5  0.0 !3D 4178
assign (resid  83 and name hb1 ) (resid  83 and name hn  )  4.0  4.0  0.0 !3D 1575
assign (resid  83 and name hb2 ) (resid  83 and name hn  )  3.5  3.5  0.0 !3D 1574
assign (resid  84 and name hb* ) (resid  84 and name hn  )  2.5  2.5  0.0 !3D 738 
assign (resid  85 and name hb2 ) (resid  85 and name hn  )  2.5  2.5  0.0 !3D 1311
assign (resid  86 and name hb* ) (resid  86 and name hn  )  2.5  2.5  0.0 !3D 608 
assign (resid  87 and name hb* ) (resid  87 and name hn  )  2.5  2.5  0.0 !3D 1143
assign (resid  88 and name hb* ) (resid  88 and name hn  )  2.5  2.5  0.0 !3D 3250
assign (resid  89 and name hb1 ) (resid  89 and name hn  )  4.5  4.5  0.0 !3D 1614
assign (resid  89 and name hb2 ) (resid  89 and name hn  )  3.5  3.5  0.0 !3D 1612
assign (resid  91 and name hb* ) (resid  91 and name hn  )  3.5  3.5  0.0 !3D 2361
assign (resid  92 and name hb2 ) (resid  92 and name hn  )  4.5  4.5  0.0 !3D 1365
assign (resid  92 and name hb1 ) (resid  92 and name hn  )  3.5  3.5  0.0 !3D 1363
assign (resid  93 and name hb1 ) (resid  93 and name hn  )  4.5  4.5  0.0 !3D 979 
assign (resid  94 and name hb* ) (resid  94 and name hn  )  3.5  3.5  0.0 !3D 820 
assign (resid  95 and name hb  ) (resid  95 and name hn  )  3.5  3.5  0.0 !3D 237 
assign (resid  96 and name hb  ) (resid  96 and name hn  )  3.5  3.5  0.0 !3D 136 
assign (resid  97 and name hb* ) (resid  97 and name hn  )  3.0  3.0  0.0 !3D 394 
assign (resid 100 and name hb* ) (resid 100 and name hn  )  2.5  2.5  0.0 !3D 2052
assign (resid 101 and name hb1 ) (resid 101 and name hn  )  3.5  3.5  0.0 !3D 106 
assign (resid 101 and name hb2 ) (resid 101 and name hn  )  3.5  3.5  0.0 !3D 104 
assign (resid 102 and name hb  ) (resid 102 and name hn  )  3.0  3.0  0.0 !3D 1834
assign (resid 103 and name hb2 ) (resid 103 and name hn  )  3.5  3.5  0.0 !3D 863 
assign (resid 103 and name hb1 ) (resid 103 and name hn  )  4.0  4.0  0.0 !3D 862 
assign (resid 104 and name hb  ) (resid 104 and name hn  )  3.0  3.0  0.0 !3D 2607
assign (resid 105 and name hb* ) (resid 105 and name hn  )  2.5  2.5  0.0 !3D 1461
assign (resid 106 and name hb2 ) (resid 106 and name hn  )  3.0  3.0  0.0 !3D 2957
assign (resid 106 and name hb1 ) (resid 106 and name hn  )  4.5  4.5  0.0 !3D 2955
assign (resid 107 and name hb1 ) (resid 107 and name hn  )  3.5  3.5  0.0 !3D 1601
assign (resid 107 and name hb2 ) (resid 107 and name hn  )  4.0  4.0  0.0 !3D 1600
assign (resid 108 and name hb1 ) (resid 108 and name hn  )  3.0  3.0  0.0 !3D 683 
assign (resid 108 and name hb2 ) (resid 108 and name hn  )  3.5  3.5  0.0 !3D 682 
assign (resid 109 and name hb1 ) (resid 109 and name hn  )  4.5  4.5  0.0 !3D 1209
assign (resid 109 and name hb2 ) (resid 109 and name hn  )  3.5  3.5  0.0 !3D 1206
assign (resid 110 and name hb  ) (resid 110 and name hn  )  3.5  3.5  0.0 !3D 3349
assign (resid 111 and name hb1 ) (resid 111 and name hn  )  4.5  4.5  0.0 !3D 795 
assign (resid 111 and name hb2 ) (resid 111 and name hn  )  3.5  3.5  0.0 !3D 794 
assign (resid 112 and name hb  ) (resid 112 and name hn  )  3.5  3.5  0.0 !3D 1442
assign (resid 113 and name hb1 ) (resid 113 and name hn  )  4.5  4.5  0.0 !3D 188 
assign (resid 114 and name hb2 ) (resid 114 and name hn  )  3.5  3.5  0.0 !3D 264 
assign (resid 114 and name hb1 ) (resid 114 and name hn  )  4.5  4.5  0.0 !3D 262 
assign (resid 116 and name hb  ) (resid 116 and name hn  )  3.5  3.5  0.0 !3D 625 
assign (resid 117 and name hb1 ) (resid 117 and name hn  )  4.5  4.5  0.0 !3D 333 
assign (resid 117 and name hb2 ) (resid 117 and name hn  )  3.5  3.5  0.0 !3D 332 
assign (resid 118 and name hb1 ) (resid 118 and name hn  )  4.5  4.5  0.0 !3D 347 
assign (resid 118 and name hb2 ) (resid 118 and name hn  )  3.5  3.5  0.0 !3D 345 
assign (resid 119 and name hb* ) (resid 119 and name hn  )  3.5  3.5  0.0 !3D 1030
assign (resid 122 and name hb1 ) (resid 122 and name hn  )  4.5  4.5  0.0 !3D 135 
assign (resid 122 and name hb2 ) (resid 122 and name hn  )  4.5  4.5  0.0 !3D 134 
assign (resid 123 and name hb* ) (resid 123 and name hn  )  3.5  3.5  0.0 !3D 4226
assign (resid 125 and name hb1 ) (resid 125 and name hn  )  4.5  4.5  0.0 !3D 4385
assign (resid 125 and name hb2 ) (resid 125 and name hn  )  4.5  4.5  0.0 !3D 4384
assign (resid 126 and name hb  ) (resid 126 and name hn  )  3.5  3.5  0.0 !3D 4285
assign (resid 127 and name hb1 ) (resid 127 and name hn  )  4.5  4.5  0.0 !3D 465 
assign (resid 127 and name hb2 ) (resid 127 and name hn  )  3.5  3.5  0.0 !3D 464 
assign (resid 128 and name hb1 ) (resid 128 and name hn  )  3.5  3.5  0.0 !3D 451 
assign (resid 128 and name hb2 ) (resid 128 and name hn  )  3.5  3.5  0.0 !3D 446 
assign (resid 129 and name hb  ) (resid 129 and name hn  )  4.5  4.5  0.0 !3D 1849
assign (resid 131 and name hb2 ) (resid 131 and name hn  )  3.5  3.5  0.0 !3D 1691
assign (resid 131 and name hb1 ) (resid 131 and name hn  )  4.5  4.5  0.0 !3D 1689
assign (resid 132 and name hb2 ) (resid 132 and name hn  )  3.5  3.5  0.0 !3D 576 
assign (resid 132 and name hb1 ) (resid 132 and name hn  )  3.5  3.5  0.0 !3D 575 
assign (resid 133 and name hb1 ) (resid 133 and name hn  )  4.5  4.5  0.0 !3D 1390
assign (resid 133 and name hb2 ) (resid 133 and name hn  )  3.5  3.5  0.0 !3D 1389
assign (resid 134 and name hb1 ) (resid 134 and name hn  )  3.5  3.5  0.0 !3D 2598
assign (resid 134 and name hb2 ) (resid 134 and name hn  )  3.5  3.5  0.0 !3D 2597
assign (resid 135 and name hb2 ) (resid 135 and name hn  )  3.5  3.5  0.0 !3D 1210
assign (resid 136 and name hb2 ) (resid 136 and name hn  )  3.5  3.5  0.0 !3D 4265
assign (resid 136 and name hb1 ) (resid 136 and name hn  )  4.5  4.5  0.0 !3D 1026
assign (resid 137 and name hb  ) (resid 137 and name hn  )  3.5  3.5  0.0 !3D 2208
assign (resid 138 and name hb1 ) (resid 138 and name hn  )  3.5  3.5  0.0 !3D 761 
assign (resid 138 and name hb2 ) (resid 138 and name hn  )  3.5  3.5  0.0 !3D 759 
assign (resid 139 and name hb  ) (resid 139 and name hn  )  4.5  4.5  0.0 !3D 370 
assign (resid 141 and name hb1 ) (resid 141 and name hn  )  4.5  4.5  0.0 !3D 2697
assign (resid 141 and name hb2 ) (resid 141 and name hn  )  3.5  3.5  0.0 !3D 2696
assign (resid 142 and name hb* ) (resid 142 and name hn  )  3.5  3.5  0.0 !3D 817 
assign (resid 143 and name hb  ) (resid 143 and name hn  )  3.5  3.5  0.0 !3D 442 
assign (resid 144 and name hb  ) (resid 144 and name hn  )  3.5  3.5  0.0 !3D 406 
assign (resid 145 and name hb* ) (resid 145 and name hn  )  3.5  3.5  0.0 !3D 786 
assign (resid 146 and name hb1 ) (resid 146 and name hn  )  3.5  3.5  0.0 !3D 1079
assign (resid 146 and name hb2 ) (resid 146 and name hn  )  3.5  3.5  0.0 !3D 1078
assign (resid 147 and name hb  ) (resid 147 and name hn  )  4.5  4.5  0.0 !3D 1268
assign (resid 148 and name hb1 ) (resid 148 and name hn  )  3.5  3.5  0.0 !3D 54  
assign (resid 148 and name hb2 ) (resid 148 and name hn  )  3.5  3.5  0.0 !3D 76  
assign (resid 150 and name hb* ) (resid 150 and name hn  )  2.5  2.5  0.0 !3D 1483
assign (resid 151 and name hb2 ) (resid 151 and name hn  )  3.5  3.5  0.0 !3D 2637
assign (resid 152 and name hb  ) (resid 152 and name hn  )  3.5  3.5  0.0 !3D 1713
assign (resid 153 and name hb1 ) (resid 153 and name hn  )  4.5  4.5  0.0 !3D 3751
assign (resid 154 and name hb  ) (resid 154 and name hn  )  3.5  3.5  0.0 !3D 2463
assign (resid 155 and name hb1 ) (resid 155 and name hn  )  4.5  4.5  0.0 !3D 445 
assign (resid 155 and name hb2 ) (resid 155 and name hn  )  3.5  3.5  0.0 !3D 444 
assign (resid 156 and name hb2 ) (resid 156 and name hn  )  4.5  4.5  0.0 !3D 146 
assign (resid 156 and name hb1 ) (resid 156 and name hn  )  4.5  4.5  0.0 !3D 160 
assign (resid 158 and name hb1 ) (resid 158 and name hn  )  4.5  4.5  0.0 !3D 40  
assign (resid 158 and name hb2 ) (resid 158 and name hn  )  4.5  4.5  0.0 !3D 3688
assign (resid 159 and name hb1 ) (resid 159 and name hn  )  4.5  4.5  0.0 !3D 219 
assign (resid 159 and name hb2 ) (resid 159 and name hn  )  4.5  4.5  0.0 !3D 218 
assign (resid 160 and name hb1 ) (resid 160 and name hn  )  3.5  3.5  0.0 !3D 579 
assign (resid 160 and name hb2 ) (resid 160 and name hn  )  3.5  3.5  0.0 !3D 578 
assign (resid 161 and name hb1 ) (resid 161 and name hn  )  4.5  4.5  0.0 !3D 777 
assign (resid 162 and name hb* ) (resid 162 and name hn  )  3.5  3.5  0.0 !3D 1317
!Ha(i) - Hb(i)
assign (resid   2 and name ha  ) (resid   2 and name hb* )  2.5  2.5  0.0 !2D 3935
assign (resid   3 and name ha  ) (resid   3 and name hb1 )  3.5  3.5  0.0 !2D 1155
assign (resid   4 and name ha  ) (resid   4 and name hb2 )  2.5  2.5  0.0 !2D 1097
assign (resid   4 and name ha  ) (resid   4 and name hb1 )  3.5  3.5  0.0 !2D 1089
assign (resid   5 and name ha  ) (resid   5 and name hb1 )  3.5  3.5  0.0 !2D 1191
assign (resid   5 and name ha  ) (resid   5 and name hb2 )  3.5  3.5  0.0 !2D 1190
assign (resid   6 and name ha  ) (resid   6 and name hb* )  3.5  3.5  0.0 !2D 3964
assign (resid   7 and name ha  ) (resid   7 and name hb1 )  4.5  4.5  0.0 !2D 1053
assign (resid   7 and name ha  ) (resid   7 and name hb2 )  3.5  3.5  0.0 !2D 1056
assign (resid  13 and name ha  ) (resid  13 and name hb  )  3.5  3.5  0.0 !2D 3250
assign (resid  19 and name ha  ) (resid  19 and name hb1 )  3.5  3.5  0.0 !2D 5456
assign (resid  26 and name ha  ) (resid  26 and name hb2 )  3.5  3.5  0.0 !2D 1322
assign (resid  26 and name ha  ) (resid  26 and name hb1 )  3.5  3.5  0.0 !2D 1323
assign (resid  41 and name ha  ) (resid  41 and name hb  )  3.5  3.5  0.0 !2D 1259
assign (resid  77 and name ha  ) (resid  77 and name hb1 )  3.5  3.5  0.0 !2D 1180
assign (resid  80 and name ha  ) (resid  80 and name hb* )  2.5  2.5  0.0 !2D 3929
assign (resid 112 and name ha  ) (resid 112 and name hb  )  3.5  3.5  0.0 !2D 1246
assign (resid 114 and name ha  ) (resid 114 and name hb2 )  3.5  3.5  0.0 !2D 1278
assign (resid 114 and name ha  ) (resid 114 and name hb1 )  3.5  3.5  0.0 !2D 1282
assign (resid 136 and name ha  ) (resid 136 and name hb1 )  3.5  3.5  0.0 !2D 1334
assign (resid 136 and name ha  ) (resid 136 and name hb2 )  3.5  3.5  0.0 !2D 1338
assign (resid 138 and name ha  ) (resid 138 and name hb1 )  3.5  3.5  0.0 !2D 5665
assign (resid 141 and name ha  ) (resid 141 and name hb2 )  3.5  3.5  0.0 !2D 1318
assign (resid 153 and name ha  ) (resid 153 and name hb2 )  3.5  3.5  0.0 !2D 1200
assign (resid 153 and name ha  ) (resid 153 and name hb1 )  3.5  3.5  0.0 !2D 1201
assign (resid 156 and name ha  ) (resid 156 and name hb2 )  3.5  3.5  0.0 !2D 5807
assign (resid 156 and name ha  ) (resid 156 and name hb1 )  3.5  3.5  0.0 !2D 1289
assign (resid 157 and name ha  ) (resid 157 and name hb  )  3.5  3.5  0.0 !2D 1313
assign (resid 158 and name ha  ) (resid 158 and name hb1 )  3.5  3.5  0.0 !2D 1149
assign (resid 158 and name ha  ) (resid 158 and name hb2 )  3.5  3.5  0.0 !2D 1148
!Other intra-residue NOEs
assign (resid   3 and name hb1 ) (resid   3 and name hd* )  3.5  3.5  0.0 !2D 810 
assign (resid   3 and name ha  ) (resid   3 and name hd* )  3.0  3.0  0.0 !2D 818 
assign (resid   3 and name hn  ) (resid   3 and name hd* )  4.5  4.5  0.0 !3D 4081
assign (resid   4 and name hg  ) (resid   4 and name ha  )  3.5  3.5  0.0 !2D 1088
assign (resid   4 and name hn  ) (resid   4 and name hd1*)  5.5  5.5  0.0 !3D 3931
assign (resid   4 and name hd1*) (resid   4 and name ha  )  3.5  3.5  0.0 !2D 1091
assign (resid   4 and name hd2*) (resid   4 and name ha  )  4.5  4.5  0.0 !2D 1099
assign (resid   5 and name hd1 ) (resid   5 and name he1 )  3.5  3.5  0.0 !2D 14  
assign (resid   5 and name hz2 ) (resid   5 and name he1 )  3.5  3.5  0.0 !2D 13  
assign (resid   5 and name hh2 ) (resid   5 and name he1 )  5.5  5.5  0.0 !2D 15  
assign (resid   5 and name hb1 ) (resid   5 and name hd1 )  4.5  4.5  0.0 !2D 704 
assign (resid   5 and name hb2 ) (resid   5 and name hd1 )  3.5  3.5  0.0 !2D 5700
assign (resid   5 and name hn  ) (resid   5 and name he3 )  3.5  3.5  0.0 !3D 322 
assign (resid   5 and name ha  ) (resid   5 and name he3 )  4.5  4.5  0.0 !2D 490 
assign (resid   7 and name hg2 ) (resid   7 and name ha  )  4.5  4.5  0.0 !2D 1055
assign (resid   7 and name he2*) (resid   7 and name hb2 )  5.5  5.5  0.0 !3D 4495
assign (resid   7 and name hn  ) (resid   7 and name hg* )  3.5  3.5  0.0 !3D 2270
assign (resid   7 and name he2*) (resid   7 and name hg* )  3.5  3.5  0.0 !3D 3152
assign (resid   7 and name he2*) (resid   7 and name hb* )  3.5  3.5  0.0 !3D 3151
assign (resid   7 and name hg1 ) (resid   7 and name ha  )  4.5  4.5  0.0 !2D 1054
assign (resid   9 and name hn  ) (resid   9 and name hg* )  3.5  3.5  0.0 !3D 2886
assign (resid   9 and name he  ) (resid   9 and name hg* )  5.5  5.5  0.0 !3D 4157
assign (resid   9 and name he  ) (resid   9 and name hd* )  4.5  4.5  0.0 !3D 1823
assign (resid   9 and name hn  ) (resid   9 and name hd* )  4.5  4.5  0.0 !3D 4389
assign (resid  12 and name hn  ) (resid  12 and name hd2*)  4.5  4.5  0.0 !3D 3920
assign (resid  13 and name ha  ) (resid  13 and name hg2*)  3.5  3.5  0.0 !2D 4158
assign (resid  13 and name hb  ) (resid  13 and name hd1*)  3.5  3.5  0.0 !2D 4853
assign (resid  13 and name hn  ) (resid  13 and name hg1*)  3.5  3.5  0.0 !3D 2317
assign (resid  13 and name hb  ) (resid  13 and name hg2*)  2.5  2.5  0.0 !2D 5757
assign (resid  13 and name hn  ) (resid  13 and name hg2*)  3.5  3.5  0.0 !3D 2315
assign (resid  13 and name ha  ) (resid  13 and name hd1*)  4.5  4.5  0.0 !2D 4850
assign (resid  13 and name hg1*) (resid  13 and name ha  )  4.5  4.5  0.0 !2D 1306
assign (resid  13 and name hn  ) (resid  13 and name hd1*)  4.5  4.5  0.0 !3D 3785
assign (resid  18 and name hn  ) (resid  18 and name hd2 )  4.5  4.5  0.0 !3D 4312
assign (resid  19 and name hg  ) (resid  19 and name hd2*)  3.5  3.5  0.0 !2D 5293
assign (resid  19 and name hb2 ) (resid  19 and name hb1 )  2.5  2.5  0.0 !2D 5459
assign (resid  19 and name hn  ) (resid  19 and name hd1*)  5.5  5.5  0.0 !3D 4075
assign (resid  19 and name hg  ) (resid  19 and name hb1 )  3.5  3.5  0.0 !2D 5460
assign (resid  19 and name hn  ) (resid  19 and name hg  )  3.5  3.5  0.0 !3D 496 
assign (resid  19 and name hd1*) (resid  19 and name hd2*)  3.5  3.5  0.0 !2D 5746
assign (resid  19 and name hb2 ) (resid  19 and name hd2*)  3.5  3.5  0.0 !2D 5292
assign (resid  19 and name hn  ) (resid  19 and name hd2*)  5.5  5.5  0.0 !3D 4074
assign (resid  21 and name hb2 ) (resid  21 and name he1 )  5.5  5.5  0.0 !2D 65  
assign (resid  21 and name hb1 ) (resid  21 and name he3 )  3.5  3.5  0.0 !2D 1108
assign (resid  21 and name hb2 ) (resid  21 and name he3 )  4.5  4.5  0.0 !2D 1109
assign (resid  21 and name hh2 ) (resid  21 and name he1 )  5.5  5.5  0.0 !2D 19  
assign (resid  21 and name ha  ) (resid  21 and name hd1 )  5.5  5.5  0.0 !2D 5753
assign (resid  21 and name hn  ) (resid  21 and name hd1 )  5.5  5.5  0.0 !3D 4541
assign (resid  21 and name hz2 ) (resid  21 and name he1 )  3.5  3.5  0.0 !2D 18  
assign (resid  21 and name hd1 ) (resid  21 and name he1 )  3.5  3.5  0.0 !2D 20  
assign (resid  21 and name hn  ) (resid  21 and name he3 )  5.5  5.5  0.0 !3D 4540
assign (resid  21 and name hb2 ) (resid  21 and name hd1 )  4.5  4.5  0.0 !2D 5694
assign (resid  21 and name ha  ) (resid  21 and name he3 )  5.5  5.5  0.0 !2D 5796
assign (resid  21 and name hb1 ) (resid  21 and name hd1 )  4.5  4.5  0.0 !2D 1009
assign (resid  27 and name ha  ) (resid  27 and name hd2*)  3.5  3.5  0.0 !2D 5125
assign (resid  27 and name hn  ) (resid  27 and name hd2*)  4.5  4.5  0.0 !3D 1745
assign (resid  27 and name hn  ) (resid  27 and name hg  )  3.0  3.0  0.0 !3D 1742
assign (resid  27 and name hn  ) (resid  27 and name hd1*)  4.5  4.5  0.0 !3D 1744
assign (resid  28 and name hb2 ) (resid  28 and name hd2 )  3.5  3.5  0.0 !2D 529 
assign (resid  28 and name ha  ) (resid  28 and name hd2 )  5.5  5.5  0.0 !2D 527 
assign (resid  29 and name hb1 ) (resid  29 and name hd* )  3.5  3.5  0.0 !2D 785 
assign (resid  29 and name ha  ) (resid  29 and name hd* )  3.5  3.5  0.0 !2D 782 
assign (resid  29 and name hb2 ) (resid  29 and name hd* )  3.5  3.5  0.0 !2D 784 
assign (resid  29 and name hn  ) (resid  29 and name hd* )  4.5  4.5  0.0 !3D 1061
assign (resid  30 and name hn  ) (resid  30 and name hd* )  4.5  4.5  0.0 !3D 285 
assign (resid  30 and name hb2 ) (resid  30 and name hd* )  3.5  3.5  0.0 !2D 664 
assign (resid  30 and name hb1 ) (resid  30 and name hd* )  3.5  3.5  0.0 !2D 676 
assign (resid  31 and name he  ) (resid  31 and name hd* )  5.5  5.5  0.0 !3D 4249
assign (resid  31 and name hn  ) (resid  31 and name hg* )  4.5  4.5  0.0 !3D 1419
assign (resid  31 and name he  ) (resid  31 and name hg* )  5.5  5.5  0.0 !3D 4250
assign (resid  33 and name hn  ) (resid  33 and name hg* )  4.5  4.5  0.0 !3D 2742
assign (resid  33 and name he2*) (resid  33 and name hg* )  3.5  3.5  0.0 !3D 3621
assign (resid  33 and name he2*) (resid  33 and name hb1 )  3.5  3.5  0.0 !3D 3595
assign (resid  34 and name hn  ) (resid  34 and name hg1 )  3.0  3.0  0.0 !3D 3284
assign (resid  34 and name hn  ) (resid  34 and name hg2*)  3.5  3.5  0.0 !3D 3289
assign (resid  35 and name hn  ) (resid  35 and name hg* )  2.5  2.5  0.0 !3D 1508
assign (resid  37 and name hn  ) (resid  37 and name hg* )  3.5  3.5  0.0 !3D 1368
assign (resid  39 and name hn  ) (resid  39 and name he* )  5.5  5.5  0.0 !3D 3675
assign (resid  40 and name hn  ) (resid  40 and name hg* )  3.5  3.5  0.0 !3D 417 
assign (resid  41 and name hg* ) (resid  41 and name ha  )  3.5  3.5  0.0 !2D 1262
assign (resid  41 and name hn  ) (resid  41 and name hg* )  3.5  3.5  0.0 !3D 486 
assign (resid  43 and name he  ) (resid  43 and name hd* )  4.5  4.5  0.0 !3D 316 
assign (resid  43 and name he  ) (resid  43 and name hb* )  3.5  3.5  0.0 !3D 317 
assign (resid  43 and name he  ) (resid  43 and name hg* )  4.5  4.5  0.0 !3D 4210
assign (resid  44 and name hn  ) (resid  44 and name hg* )  3.5  3.5  0.0 !3D 3387
assign (resid  45 and name hg2*) (resid  45 and name hg1 )  3.5  3.5  0.0 !2D 123 
assign (resid  45 and name hn  ) (resid  45 and name hg2*)  4.5  4.5  0.0 !3D 1644
assign (resid  45 and name ha  ) (resid  45 and name hg1 )  3.5  3.5  0.0 !2D 155 
assign (resid  45 and name hn  ) (resid  45 and name hg1 )  3.5  3.5  0.0 !3D 1642
assign (resid  45 and name hb  ) (resid  45 and name hg1 )  3.5  3.5  0.0 !2D 157 
assign (resid  46 and name hn  ) (resid  46 and name hd* )  4.5  4.5  0.0 !3D 939 
assign (resid  46 and name hb1 ) (resid  46 and name hd* )  2.5  2.5  0.0 !2D 597 
assign (resid  46 and name hb2 ) (resid  46 and name hd* )  3.5  3.5  0.0 !2D 598 
assign (resid  49 and name ha  ) (resid  49 and name hd* )  3.5  3.5  0.0 !2D 693 
assign (resid  49 and name hn  ) (resid  49 and name he* )  5.5  5.5  0.0 !3D 3994
assign (resid  49 and name hb* ) (resid  49 and name hd* )  3.5  3.5  0.0 !2D 695 
assign (resid  49 and name hn  ) (resid  49 and name hd* )  3.5  3.5  0.0 !3D 3992
assign (resid  51 and name hn  ) (resid  51 and name hg* )  4.5  4.5  0.0 !3D 3169
assign (resid  52 and name he  ) (resid  52 and name hg* )  4.5  4.5  0.0 !3D 4254
assign (resid  52 and name hn  ) (resid  52 and name hg* )  3.5  3.5  0.0 !3D 1106
assign (resid  52 and name he  ) (resid  52 and name hb* )  5.5  5.5  0.0 !3D 4251
assign (resid  52 and name he  ) (resid  52 and name hd* )  3.5  3.5  0.0 !3D 2075
assign (resid  54 and name hn  ) (resid  54 and name hd2*)  4.5  4.5  0.0 !3D 181 
assign (resid  54 and name hn  ) (resid  54 and name hg  )  3.0  3.0  0.0 !3D 179 
assign (resid  54 and name hn  ) (resid  54 and name hd1*)  4.5  4.5  0.0 !3D 182 
assign (resid  57 and name he  ) (resid  57 and name hb2 )  4.5  4.5  0.0 !3D 3765
assign (resid  57 and name hn  ) (resid  57 and name hg* )  4.5  4.5  0.0 !3D 2887
assign (resid  57 and name he  ) (resid  57 and name hg* )  4.5  4.5  0.0 !3D 2096
assign (resid  57 and name hn  ) (resid  57 and name hd* )  4.5  4.5  0.0 !3D 2883
assign (resid  57 and name hn  ) (resid  57 and name he  )  5.0  5.5  0.0 !3D 2874
assign (resid  57 and name he  ) (resid  57 and name hd* )  3.5  3.5  0.0 !3D 2095
assign (resid  58 and name hn  ) (resid  58 and name hg2*)  4.5  4.5  0.0 !3D 4231
assign (resid  59 and name hd2*) (resid  59 and name hb1 )  4.5  4.5  0.0 !3D 3458
assign (resid  59 and name hd2*) (resid  59 and name hb2 )  5.5  5.5  0.0 !3D 4473
assign (resid  59 and name hn  ) (resid  59 and name hd2*)  3.5  3.5  0.0 !3D 96  
assign (resid  59 and name hd2*) (resid  59 and name ha  )  5.5  5.5  0.0 !3D 4480
assign (resid  60 and name hn  ) (resid  60 and name hg2*)  3.5  3.5  0.0 !3D 396 
assign (resid  60 and name hn  ) (resid  60 and name hg1*)  4.5  4.5  0.0 !3D 376 
assign (resid  61 and name hn  ) (resid  61 and name hg2*)  3.5  3.5  0.0 !3D 688 
assign (resid  61 and name hg1*) (resid  61 and name hg2*)  3.5  3.5  0.0 !2D 5586
assign (resid  61 and name hn  ) (resid  61 and name hg1*)  4.5  4.5  0.0 !3D 703 
assign (resid  61 and name hb  ) (resid  61 and name hg2*)  3.5  3.5  0.0 !2D 5583
assign (resid  62 and name hn  ) (resid  62 and name hd2*)  5.5  5.5  0.0 !3D 1528
assign (resid  62 and name hg  ) (resid  62 and name hd1*)  2.5  2.5  0.0 !2D 5546
assign (resid  62 and name hn  ) (resid  62 and name hd1*)  4.5  4.5  0.0 !3D 3859
assign (resid  63 and name hn  ) (resid  63 and name hg2*)  3.5  3.5  0.0 !3D 1161
assign (resid  63 and name ha  ) (resid  63 and name hg1 )  4.5  4.5  0.0 !2D Nrej
assign (resid  64 and name hb* ) (resid  64 and name hd2 )  3.5  3.5  0.0 !2D 454 
assign (resid  64 and name ha  ) (resid  64 and name hd2 )  5.0  5.0  0.0 !2D 452 
assign (resid  65 and name hn  ) (resid  65 and name hg* )  4.0  4.0  0.0 !3D 304 
assign (resid  65 and name hn  ) (resid  65 and name he2*)  5.5  5.5  0.0 !3D 3967
assign (resid  65 and name he2*) (resid  65 and name hg* )  3.5  3.5  0.0 !3D 3347
assign (resid  65 and name he2*) (resid  65 and name hb* )  3.5  3.5  0.0 !3D 2534
assign (resid  68 and name hb1 ) (resid  68 and name hd* )  3.5  3.5  0.0 !2D 751 
assign (resid  68 and name hb2 ) (resid  68 and name hd* )  3.5  3.5  0.0 !2D 752 
assign (resid  68 and name ha  ) (resid  68 and name hd* )  3.5  3.5  0.0 !2D 750 
assign (resid  68 and name hn  ) (resid  68 and name hd* )  4.5  4.5  0.0 !3D 4073
assign (resid  69 and name hn  ) (resid  69 and name hg* )  3.5  3.5  0.0 !3D 1414
assign (resid  69 and name he2*) (resid  69 and name hg* )  3.5  3.5  0.0 !3D 3565
assign (resid  69 and name he2*) (resid  69 and name ha  )  4.5  4.5  0.0 !3D 3148
assign (resid  71 and name hn  ) (resid  71 and name hg* )  3.5  3.5  0.0 !3D 735 
assign (resid  71 and name he2*) (resid  71 and name hg* )  5.5  5.5  0.0 !3D 4481
assign (resid  74 and name hn  ) (resid  74 and name hg1*)  4.5  4.5  0.0 !3D 583 
assign (resid  74 and name hn  ) (resid  74 and name hg2*)  3.5  3.5  0.0 !3D 581 
assign (resid  75 and name hn  ) (resid  75 and name hg1*)  4.5  4.5  0.0 !3D 999 
assign (resid  75 and name hn  ) (resid  75 and name hg2*)  3.5  3.5  0.0 !3D 998 
assign (resid  76 and name hn  ) (resid  76 and name hg2*)  2.5  2.5  0.0 !3D 701 
assign (resid  76 and name hn  ) (resid  76 and name hg1*)  3.5  3.5  0.0 !3D 699 
assign (resid  79 and name hn  ) (resid  79 and name hg1*)  4.5  4.5  0.0 !3D 4260
assign (resid  79 and name hn  ) (resid  79 and name hg2*)  2.5  2.5  0.0 !3D 867 
assign (resid  82 and name hn  ) (resid  82 and name hg1*)  4.5  4.5  0.0 !3D 4174
assign (resid  82 and name hn  ) (resid  82 and name hg2*)  3.5  3.5  0.0 !3D 4175
assign (resid  83 and name hb2 ) (resid  83 and name hd* )  3.5  3.5  0.0 !2D 287 
assign (resid  83 and name hb1 ) (resid  83 and name hd* )  3.5  3.5  0.0 !2D 289 
assign (resid  83 and name ha  ) (resid  83 and name hd* )  3.5  3.5  0.0 !2D 285 
assign (resid  85 and name hn  ) (resid  85 and name hd* )  4.5  4.5  0.0 !3D 1306
assign (resid  85 and name hb2 ) (resid  85 and name he* )  5.0  5.0  0.0 !2D 948 
assign (resid  85 and name hb2 ) (resid  85 and name hd* )  3.0  3.0  0.0 !2D 637 
assign (resid  85 and name hb1 ) (resid  85 and name hd* )  3.5  3.5  0.0 !2D 642 
assign (resid  85 and name ha  ) (resid  85 and name hd* )  3.5  3.5  0.0 !2D 636 
assign (resid  88 and name hn  ) (resid  88 and name hg* )  4.5  4.5  0.0 !3D 3247
assign (resid  88 and name he2*) (resid  88 and name hg* )  4.5  4.5  0.0 !3D 3234
assign (resid  88 and name he2*) (resid  88 and name hb* )  5.5  5.5  0.0 !3D 4478
assign (resid  89 and name hn  ) (resid  89 and name hd2 )  4.5  4.5  0.0 !3D 1608
assign (resid  89 and name hb1 ) (resid  89 and name hd2 )  4.5  4.5  0.0 !2D 942 
assign (resid  89 and name ha  ) (resid  89 and name hd2 )  5.5  5.5  0.0 !2D 939 
assign (resid  92 and name hn  ) (resid  92 and name hg* )  4.5  4.5  0.0 !3D 1362
assign (resid  92 and name he2*) (resid  92 and name hg* )  4.5  4.5  0.0 !3D 4551
assign (resid  92 and name he2*) (resid  92 and name hb1 )  3.5  3.5  0.0 !3D 3371
assign (resid  92 and name he2*) (resid  92 and name hb2 )  4.5  4.5  0.0 !3D 4550
assign (resid  93 and name hn  ) (resid  93 and name hg1 )  4.0  4.0  0.0 !3D 975 
assign (resid  94 and name hn  ) (resid  94 and name hd* )  4.5  4.5  0.0 !3D 823 
assign (resid  94 and name hn  ) (resid  94 and name hg  )  5.5  5.5  0.0 !3D 821 
assign (resid  96 and name hg1*) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5568
assign (resid  96 and name hb  ) (resid  96 and name hd1*)  4.5  4.5  0.0 !2D 5564
assign (resid  96 and name ha  ) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5563
assign (resid  96 and name hn  ) (resid  96 and name hg2*)  4.5  4.5  0.0 !3D 140 
assign (resid  96 and name hn  ) (resid  96 and name hg1*)  3.5  3.5  0.0 !3D 138 
assign (resid  96 and name hg2*) (resid  96 and name hd1*)  3.5  3.5  0.0 !2D 5572
assign (resid  96 and name hn  ) (resid  96 and name hd1*)  4.5  4.5  0.0 !3D 141 
assign (resid 101 and name he2*) (resid 101 and name hg* )  3.5  3.5  0.0 !3D 3400
assign (resid 101 and name hn  ) (resid 101 and name hg* )  4.5  4.5  0.0 !3D 105 
assign (resid 102 and name hn  ) (resid 102 and name hg1*)  4.5  4.5  0.0 !3D 3721
assign (resid 102 and name hg1*) (resid 102 and name hd1*)  3.5  3.5  0.0 !2D 5480
assign (resid 102 and name hn  ) (resid 102 and name hd1*)  3.5  3.5  0.0 !3D 1836
assign (resid 102 and name hn  ) (resid 102 and name hg2*)  4.5  4.5  0.0 !3D 1835
assign (resid 102 and name hg2*) (resid 102 and name hd1*)  3.5  3.5  0.0 !2D 5481
assign (resid 102 and name ha  ) (resid 102 and name hd1*)  3.5  3.5  0.0 !2D 5476
assign (resid 103 and name hb1 ) (resid 103 and name hd* )  3.5  3.5  0.0 !2D 1169
assign (resid 103 and name ha  ) (resid 103 and name hd* )  2.5  2.5  0.0 !2D 1167
assign (resid 104 and name hn  ) (resid 104 and name hg2*)  4.5  4.5  0.0 !3D 2612
assign (resid 106 and name hb2 ) (resid 106 and name hd* )  3.5  3.5  0.0 !2D 178 
assign (resid 106 and name hb1 ) (resid 106 and name hd* )  3.5  3.5  0.0 !2D 181 
assign (resid 106 and name ha  ) (resid 106 and name hd* )  3.5  3.5  0.0 !2D 176 
assign (resid 107 and name hn  ) (resid 107 and name hg* )  3.5  3.5  0.0 !3D 1602
assign (resid 107 and name hn  ) (resid 107 and name hd* )  5.5  5.5  0.0 !3D 4146
assign (resid 110 and name hn  ) (resid 110 and name hg2*)  4.5  4.5  0.0 !3D 3350
assign (resid 110 and name ha  ) (resid 110 and name hg1*)  3.5  3.5  0.0 !2D 5279
assign (resid 110 and name ha  ) (resid 110 and name hg2*)  3.5  3.5  0.0 !2D 5319
assign (resid 112 and name hn  ) (resid 112 and name hg2*)  4.5  4.5  0.0 !3D 1447
assign (resid 112 and name hg2*) (resid 112 and name ha  )  3.5  3.5  0.0 !2D 1252
assign (resid 113 and name hn  ) (resid 113 and name hd2*)  4.5  4.5  0.0 !3D 191 
assign (resid 113 and name hn  ) (resid 113 and name hg  )  3.5  3.5  0.0 !3D 190 
assign (resid 113 and name hn  ) (resid 113 and name hd1*)  4.5  4.5  0.0 !3D 3716
assign (resid 113 and name hg  ) (resid 113 and name hd1*)  3.5  3.5  0.0 !2D 5678
assign (resid 113 and name hd2*) (resid 113 and name hd1*)  3.5  3.5  0.0 !2D 5679
assign (resid 113 and name hb1 ) (resid 113 and name hd1*)  3.5  3.5  0.0 !2D 5676
assign (resid 113 and name hb2 ) (resid 113 and name hd1*)  3.5  3.5  0.0 !2D 5677
assign (resid 114 and name hn  ) (resid 114 and name hd1*)  4.5  4.5  0.0 !3D 266 
assign (resid 114 and name hn  ) (resid 114 and name hg  )  3.5  3.5  0.0 !3D 263 
assign (resid 114 and name hg  ) (resid 114 and name ha  )  3.5  3.5  0.0 !2D 1283
assign (resid 114 and name ha  ) (resid 114 and name hd2*)  2.5  2.5  0.0 !2D 1284
assign (resid 115 and name hn  ) (resid 115 and name hg2*)  4.5  4.5  0.0 !3D 1239
assign (resid 115 and name hn  ) (resid 115 and name hg1*)  2.5  2.5  0.0 !3D 1238
assign (resid 116 and name hn  ) (resid 116 and name hg1 )  5.5  5.5  0.0 !3D 3932
assign (resid 117 and name he  ) (resid 117 and name hb1 )  4.5  4.5  0.0 !3D 4163
assign (resid 117 and name he  ) (resid 117 and name hd* )  3.5  3.5  0.0 !3D 861 
assign (resid 117 and name he  ) (resid 117 and name hb2 )  4.5  4.5  0.0 !3D 4162
assign (resid 118 and name hn  ) (resid 118 and name hd1*)  3.5  3.5  0.0 !3D 349 
assign (resid 118 and name hn  ) (resid 118 and name hg  )  4.5  4.5  0.0 !3D 348 
assign (resid 118 and name hg  ) (resid 118 and name hd1*)  3.5  3.5  0.0 !2D 5626
assign (resid 118 and name hg  ) (resid 118 and name hd2*)  3.5  3.5  0.0 !2D 5644
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assign (resid 118 and name hb2 ) (resid 118 and name hd1*)  4.5  4.5  0.0 !2D 5623
assign (resid 118 and name hb1 ) (resid 118 and name hd1*)  4.5  4.5  0.0 !2D 5625
assign (resid 118 and name hn  ) (resid 118 and name hd2*)  5.5  5.5  0.0 !3D 3817
assign (resid 118 and name hb2 ) (resid 118 and name hd2*)  3.5  3.5  0.0 !2D 5649
assign (resid 118 and name hb1 ) (resid 118 and name hd2*)  3.5  3.5  0.0 !2D 5653
assign (resid 118 and name ha  ) (resid 118 and name hd1*)  3.5  3.5  0.0 !2D 5620
assign (resid 118 and name ha  ) (resid 118 and name hd2*)  4.5  4.5  0.0 !2D 5640
assign (resid 122 and name hb* ) (resid 122 and name hd* )  2.5  2.5  0.0 !2D 213 
assign (resid 122 and name hn  ) (resid 122 and name hd* )  3.5  3.5  0.0 !3D 125 
assign (resid 122 and name ha  ) (resid 122 and name hd* )  3.5  3.5  0.0 !2D 209 
assign (resid 122 and name hn  ) (resid 122 and name he* )  5.5  5.5  0.0 !3D 3903
assign (resid 123 and name hn  ) (resid 123 and name hg* )  4.5  4.5  0.0 !3D 1115
assign (resid 126 and name hn  ) (resid 126 and name hg2*)  4.5  4.5  0.0 !3D 4335
assign (resid 127 and name hn  ) (resid 127 and name hg1 )  3.5  3.5  0.0 !3D 467 
assign (resid 128 and name hg1 ) (resid 128 and name he* )  3.5  3.5  0.0 !2D 5609
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assign (resid 128 and name hb1 ) (resid 128 and name he* )  4.5  4.5  0.0 !2D 5611
assign (resid 129 and name hn  ) (resid 129 and name hg1*)  2.5  2.5  0.0 !3D 1852
assign (resid 129 and name hn  ) (resid 129 and name hg2*)  3.5  3.5  0.0 !3D 1851
assign (resid 131 and name hd2*) (resid 131 and name hd1*)  3.5  3.5  0.0 !2D 5507
assign (resid 131 and name hn  ) (resid 131 and name hd1*)  4.5  4.5  0.0 !3D 1692
assign (resid 131 and name hn  ) (resid 131 and name hd2*)  4.5  4.5  0.0 !3D 1690
assign (resid 131 and name hn  ) (resid 131 and name hg  )  3.5  3.5  0.0 !3D 1688
assign (resid 132 and name hn  ) (resid 132 and name hd2*)  5.0  5.0  0.0 !3D 4245
assign (resid 132 and name hd2*) (resid 132 and name hb2 )  3.5  3.5  0.0 !3D 3443
assign (resid 132 and name hd2*) (resid 132 and name hb1 )  3.5  3.5  0.0 !3D 3442
assign (resid 133 and name hn  ) (resid 133 and name hd1 )  3.5  3.5  0.0 !3D 1386
assign (resid 133 and name he3 ) (resid 133 and name hz2 )  5.5  5.5  0.0 !2D 5724
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assign (resid 133 and name hb1 ) (resid 133 and name he3 )  4.5  4.5  0.0 !2D 1219
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assign (resid 133 and name hb1 ) (resid 133 and name hd1 )  4.5  4.5  0.0 !2D 276 
assign (resid 133 and name ha  ) (resid 133 and name he3 )  3.5  3.5  0.0 !2D 1216
assign (resid 133 and name ha  ) (resid 133 and name hd1 )  4.5  4.5  0.0 !2D 274 
assign (resid 133 and name hn  ) (resid 133 and name he1 )  5.5  5.5  0.0 !3D 3963
assign (resid 133 and name hh2 ) (resid 133 and name he1 )  5.5  5.5  0.0 !2D 31  
assign (resid 133 and name hd1 ) (resid 133 and name he1 )  3.5  3.5  0.0 !2D 24  
assign (resid 133 and name hz2 ) (resid 133 and name he1 )  3.5  3.5  0.0 !2D 21  
assign (resid 136 and name hn  ) (resid 136 and name he* )  5.5  5.5  0.0 !3D 1018
assign (resid 136 and name hn  ) (resid 136 and name hd* )  3.5  3.5  0.0 !3D 1017
assign (resid 136 and name ha  ) (resid 136 and name hd* )  3.5  3.5  0.0 !2D 653 
assign (resid 137 and name hn  ) (resid 137 and name hg2*)  4.5  4.5  0.0 !3D 3772
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assign (resid 138 and name he2 ) (resid 138 and name hb1 )  5.5  5.5  0.0 !2D 5663
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assign (resid 138 and name ha  ) (resid 138 and name hg2 )  3.5  3.5  0.0 !2D 5468
assign (resid 138 and name hn  ) (resid 138 and name hd2 )  5.5  5.5  0.0 !3D 3808
assign (resid 138 and name hn  ) (resid 138 and name hd1 )  6.0  6.0  0.0 !3D 3807
assign (resid 138 and name hn  ) (resid 138 and name hg1 )  5.5  5.5  0.0 !3D 3667
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assign (resid 143 and name hn  ) (resid 143 and name hg2*)  4.5  4.5  0.0 !3D 453 
assign (resid 144 and name hn  ) (resid 144 and name hg* )  3.0  3.0  0.0 !3D 405 
assign (resid 145 and name hn  ) (resid 145 and name hg* )  3.5  3.5  0.0 !3D 785 
assign (resid 147 and name hn  ) (resid 147 and name hg2*)  4.5  4.5  0.0 !3D 1274
assign (resid 148 and name hd2*) (resid 148 and name ha  )  4.5  4.5  0.0 !3D 4523
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assign (resid 151 and name hn  ) (resid 151 and name hg  )  3.5  3.5  0.0 !3D 2638
assign (resid 153 and name hd2 ) (resid 153 and name ha  )  5.5  5.5  0.0 !2D 1208
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assign (resid 154 and name hn  ) (resid 154 and name hg2*)  4.5  4.5  0.0 !3D 2466
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assign (resid 155 and name ha  ) (resid 155 and name hd* )  3.5  3.5  0.0 !2D 962 
assign (resid 155 and name hn  ) (resid 155 and name hd* )  3.5  3.5  0.0 !3D 435 
assign (resid 156 and name hg* ) (resid 156 and name ha  )  3.5  3.5  0.0 !2D 1290
assign (resid 156 and name hn  ) (resid 156 and name hg* )  3.5  3.5  0.0 !3D 159 
assign (resid 157 and name hg* ) (resid 157 and name ha  )  2.5  2.5  0.0 !2D 1316
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assign (resid 158 and name hb2 ) (resid 158 and name he3 )  4.5  4.5  0.0 !2D 245 
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assign (resid 158 and name hb1 ) (resid 158 and name hd1 )  4.5  4.5  0.0 !2D 546 
assign (resid 158 and name ha  ) (resid 158 and name he3 )  4.5  4.5  0.0 !2D 241 
assign (resid 158 and name ha  ) (resid 158 and name hd1 )  4.5  4.5  0.0 !2D 541 
assign (resid 158 and name hn  ) (resid 158 and name hd1 )  3.5  3.5  0.0 !3D 3853
assign (resid 158 and name hz2 ) (resid 158 and name he1 )  3.5  3.5  0.0 !2D 17  
assign (resid 158 and name hb1 ) (resid 158 and name he3 )  3.5  3.5  0.0 !2D 248 
assign (resid 158 and name hd1 ) (resid 158 and name he1 )  3.5  3.5  0.0 !2D 16  
assign (resid 159 and name he2*) (resid 159 and name hg* )  3.5  3.5  0.0 !3D 4490
assign (resid 159 and name hn  ) (resid 159 and name hg* )  4.5  4.5  0.0 !3D 4133
assign (resid 159 and name hg* ) (resid 159 and name ha  )  3.5  3.5  0.0 !2D 1226
assign (resid 160 and name hn  ) (resid 160 and name hg* )  4.5  4.5  0.0 !3D 3892
assign (resid 160 and name hn  ) (resid 160 and name hd* )  5.0  5.0  0.0 !3D 3891
assign (resid 161 and name hn  ) (resid 161 and name hg* )  3.5  3.5  0.0 !3D 779 
!NADPH/DHFR NOEs
assign (resid   6 and name hb* ) (resid 168 and name h7#n)  3.5  3.5  0.0 !2D 118 
assign (resid   6 and name hn  ) (resid 168 and name h7#n)  4.5  4.5  0.0 !3D 2   
assign (resid  13 and name hd1*) (resid 168 and name h41n)  5.0  5.0  0.0 !2D 5759
assign (resid  13 and name hd1*) (resid 168 and name h2n )  4.5  4.5  0.0 !2D 4848
assign (resid  13 and name hb  ) (resid 168 and name h2n )  3.5  3.5  0.0 !2D 380 
assign (resid  13 and name hb  ) (resid 168 and name h7#n)  3.5  3.5  0.0 !2D Nrej
assign (resid  13 and name ha  ) (resid 168 and name h7#n)  3.5  3.5  0.0 !2D Nrej
assign (resid  13 and name ha  ) (resid 168 and name h2n )  5.5  5.5  0.0 !2D 1301
assign (resid  13 and name hb  ) (resid 168 and name h1'n)  4.5  4.5  0.0 !2D 3245
assign (resid  13 and name hd1*) (resid 168 and name h42n)  5.5  5.5  0.0 !2D 5758
assign (resid  13 and name hg1*) (resid 168 and name h2n )  4.5  4.5  0.0 !2D 382 
assign (resid  13 and name hg2*) (resid 168 and name h2n )  5.5  5.5  0.0 !2D 407 
assign (resid  14 and name hn  ) (resid 168 and name h1'n)  5.5  5.5  0.0 !3D 4568
assign (resid  14 and name ha* ) (resid 168 and name h1'n)  3.5  3.5  0.0 !2D 1776
assign (resid  15 and name hn  ) (resid 168 and name ho2n)  3.5  3.5  0.0 !3D 4030
assign (resid  17 and name hn  ) (resid 168 and name h4'n)  5.5  5.5  0.0 !3D 4572
assign (resid  17 and name hn  ) (resid 168 and name ho2n)  3.5  3.5  0.0 !3D 2330
assign (resid  18 and name hn  ) (resid 168 and name ho2n)  5.5  5.5  0.0 !3D 4313
assign (resid  19 and name hd* ) (resid 168 and name h7* )  3.5  3.5  0.0 !2D 122 
assign (resid  21 and name hz2 ) (resid 168 and name h7* )  4.5  4.5  0.0 !2D 51  
assign (resid  43 and name hn  ) (resid 168 and name h4'a)  3.5  3.5  0.0 !3D 1725
assign (resid  43 and name hn  ) (resid 168 and name h1'a)  3.5  3.5  0.0 !3D 1723
assign (resid  43 and name hb* ) (resid 168 and name h1'a)  3.5  3.5  0.0 !2D 812 
assign (resid  44 and name hn  ) (resid 168 and name h51a)  4.5  4.5  0.0 !3D 3384
assign (resid  44 and name hn  ) (resid 168 and name h4'a)  2.5  2.5  0.0 !3D 3383
assign (resid  45 and name hg1 ) (resid 168 and name h6n )  3.5  3.5  0.0 !2D 202 
assign (resid  45 and name hg1 ) (resid 168 and name h3'n)  4.5  4.5  0.0 !2D 158 
assign (resid  45 and name hg1 ) (resid 168 and name h51n)  4.0  4.0  0.0 !2D 156 
assign (resid  45 and name ha  ) (resid 168 and name h6n )  4.0  4.0  0.0 !2D 2685
assign (resid  45 and name hn  ) (resid 168 and name h51n)  5.5  5.5  0.0 !3D 4205
assign (resid  45 and name ha  ) (resid 168 and name h3'n)  4.5  4.5  0.0 !2D 5760
assign (resid  45 and name hn  ) (resid 168 and name h52n)  5.5  5.5  0.0 !3D 4206
assign (resid  45 and name hg2*) (resid 168 and name h5n )  3.5  3.5  0.0 !2D 1235
assign (resid  45 and name hn  ) (resid 168 and name h4'a)  5.5  5.5  0.0 !3D 4207
assign (resid  45 and name hb  ) (resid 168 and name h5n )  4.5  4.5  0.0 !2D 1231
assign (resid  62 and name ha  ) (resid 168 and name h2a )  5.0  5.0  0.0 !2D 353 
assign (resid  62 and name hd* ) (resid 168 and name h8a )  5.5  5.5  0.0 !2D 5866
assign (resid  62 and name hd2*) (resid 168 and name h1'a)  5.5  5.5  0.0 !2D 5423
assign (resid  63 and name ha  ) (resid 168 and name h2a )  5.5  5.5  0.0 !2D 341 
assign (resid  63 and name hn  ) (resid 168 and name h1'a)  5.5  5.5  0.0 !3D 4296
assign (resid  63 and name hn  ) (resid 168 and name h2a )  4.5  4.5  0.0 !3D 4294
assign (resid  63 and name hg1 ) (resid 168 and name h1'a)  5.5  5.5  0.0 !2D Nrej
assign (resid  64 and name hn  ) (resid 168 and name h1'a)  4.5  4.5  0.0 !3D 13  
assign (resid  64 and name ha  ) (resid 168 and name h2a )  3.5  3.5  0.0 !2D 342 
assign (resid  64 and name hd2 ) (resid 168 and name h3'a)  5.5  5.5  0.0 !2D 458 
assign (resid  64 and name hd2 ) (resid 168 and name h2'a)  3.5  3.5  0.0 !2D 453 
assign (resid  77 and name hb2 ) (resid 168 and name h2a )  5.5  5.5  0.0 !2D 339 
assign (resid  77 and name hb1 ) (resid 168 and name h2a )  3.5  3.5  0.0 !2D 336 
assign (resid  77 and name ha  ) (resid 168 and name h2a )  3.5  3.5  0.0 !2D 340 
assign (resid  77 and name hn  ) (resid 168 and name h2a )  6.0  6.0  0.0 !3D 4423
assign (resid  78 and name ha  ) (resid 168 and name h2a )  5.5  5.5  0.0 !2D 343 
assign (resid  79 and name hg1*) (resid 168 and name h6#a)  5.0  5.0  0.0 !2D 180 
assign (resid  79 and name hn  ) (resid 168 and name h6#a)  4.5  4.5  0.0 !3D 4267
assign (resid  98 and name ha* ) (resid 168 and name h5n )  3.5  3.5  0.0 !2D 1230
assign (resid  99 and name hn  ) (resid 168 and name h6n )  5.0  5.0  0.0 !3D 2781
assign (resid  99 and name hn  ) (resid 168 and name h51n)  5.5  5.5  0.0 !3D 4503
assign (resid  99 and name ha* ) (resid 168 and name h6n )  3.5  3.5  0.0 !2D 774 
assign (resid 100 and name hn  ) (resid 168 and name h5#n)  5.5  5.5  0.0 !3D 4018
assign (resid 101 and name hn  ) (resid 168 and name h3'a)  6.5  6.5  0.0 !3D 4617
assign (resid 101 and name he2*) (resid 168 and name h52a)  5.5  5.5  0.0 !3D 4547
assign (resid 101 and name he2*) (resid 168 and name h51a)  5.5  5.5  0.0 !3D 4546
assign (resid 101 and name he2*) (resid 168 and name h3'a)  5.5  5.5  0.0 !3D 4544
assign (resid 101 and name hn  ) (resid 168 and name h8a )  5.5  5.5  0.0 !3D 4129
assign (resid 101 and name hg2 ) (resid 168 and name h8a )  5.5  5.5  0.0 !2D 128 
assign (resid 101 and name hg1 ) (resid 168 and name h8a )  5.5  5.5  0.0 !2D 125 
assign (resid 101 and name hb* ) (resid 168 and name h8a )  3.5  3.5  0.0 !2D 124 
assign (resid 102 and name ha  ) (resid 168 and name h8a )  5.5  5.5  0.0 !2D 5867
assign (resid 102 and name hd1*) (resid 168 and name h51a)  4.5  4.5  0.0 !2D 5484
assign (resid 102 and name hd1*) (resid 168 and name h52a)  5.5  5.5  0.0 !2D 5740
assign (resid 102 and name hd1*) (resid 168 and name h3'a)  5.0  5.0  0.0 !2D 5741
assign (resid 102 and name hg1*) (resid 168 and name h8a )  4.5  4.5  0.0 !2D 129 
assign (resid 102 and name hg2*) (resid 168 and name h8a )  5.5  5.5  0.0 !2D 5718
assign (resid 102 and name hd1*) (resid 168 and name h8a )  3.5  3.5  0.0 !2D 5471
assign (resid 102 and name hd1*) (resid 168 and name h1'a)  4.5  4.5  0.0 !2D 5472
assign (resid 105 and name hb* ) (resid 168 and name h61a)  4.0  4.0  0.0 !2D 130 
!NADPH/NADPH
assign (resid 168 and name h62a) (resid 168 and name h61a)  2.5  2.5  0.0 !2D 174 
assign (resid 168 and name h2n ) (resid 168 and name h7* )  2.5  2.5  0.0 !2D 50  
assign (resid 168 and name h2'a) (resid 168 and name h8a )  5.5  5.5  0.0 !2D 5717
assign (resid 168 and name h1'a) (resid 168 and name h8a )  4.5  4.5  0.0 !2D 120 
assign (resid 168 and name h3'a) (resid 168 and name h8a )  3.0  3.0  0.0 !2D 121 
assign (resid 168 and name h52a) (resid 168 and name h8a )  4.0  2.0  0.0 !2D 5716
assign (resid 168 and name h51a) (resid 168 and name h8a )  4.5  2.0  0.0 !2D 123 
assign (resid 168 and name h5n ) (resid 168 and name h6n )  3.5  3.5  0.0 !2D 773 
assign (resid 168 and name h5#n) (resid 168 and name h6n )  4.0  1.5  0.0 !2D 775 
assign (resid 168 and name h4'n) (resid 168 and name h6n )  4.5  4.5  0.0 !2D 776 
assign (resid 168 and name h42n) (resid 168 and name h5n )  3.5  3.5  0.0 !2D 1232
assign (resid 168 and name h41n) (resid 168 and name h5n )  3.5  3.5  0.0 !2D 1233
assign (resid 168 and name h4'a) (resid 168 and name h1'a)  4.5  4.5  0.0 !2D 807 
assign (resid 168 and name h3'n) (resid 168 and name h6n )  2.5  2.5  0.0 !2D 777 
assign (resid 168 and name h1'n) (resid 168 and name h2n )  2.5  2.5  0.0 !2D 378 
assign (resid 168 and name h3'n) (resid 168 and name h2n )  5.5  5.5  0.0 !2D 402 
!TMP/DHFR NOEs
assign (resid   4 and name hg  ) (resid 170 and name hn42)  3.5  3.5  0.0 !2D 134 
assign (resid   4 and name hg  ) (resid 170 and name hn41)  5.5  5.5  0.0 !2D 96  
assign (resid   4 and name hd2*) (resid 170 and name hn41)  5.5  5.5  0.0 !2D 196 
assign (resid   4 and name hd1*) (resid 170 and name hn21)  4.5  4.5  0.0 !2D 68  
assign (resid   5 and name hb1 ) (resid 170 and name hn4*)  4.5  4.5  0.0 !2D 137 
assign (resid   5 and name ha  ) (resid 170 and name hn4*)  3.5  3.5  0.0 !2D 39  
assign (resid   6 and name hb* ) (resid 170 and name h1  )  3.5  3.5  0.0 !2D 8   
assign (resid   6 and name hb* ) (resid 170 and name h6  )  4.5  4.5  0.0 !2D 1059
assign (resid   6 and name hb* ) (resid 170 and name hn21)  3.5  3.5  0.0 !2D 67  
assign (resid  18 and name ha  ) (resid 170 and name hw3*)  3.5  3.5  0.0 !2D 1347
assign (resid  19 and name hg  ) (resid 170 and name hw3*)  4.5  4.5  0.0 !13C SEL
assign (resid  19 and name hd1*) (resid 170 and name h6  )  4.5  4.5  0.0 !2D 1068
assign (resid  19 and name hd1*) (resid 170 and name hw3*)  4.5  4.5  0.0 !13C SEL
assign (resid  19 and name hd2*) (resid 170 and name h6  )  4.5  4.5  0.0 !2D 1070
assign (resid  19 and name hd2*) (resid 170 and name h1  )  5.5  5.5  0.0 !2D 10  
assign (resid  27 and name hg  ) (resid 170 and name h6  )  5.5  5.5  0.0 !2D 5697
assign (resid  27 and name hd2*) (resid 170 and name h6  )  3.5  3.5  0.0 !2D 1069
assign (resid  27 and name hd1*) (resid 170 and name h6  )  6.0  6.0  0.0 !2D 1060
assign (resid  27 and name hd1*) (resid 170 and name hw3*)  6.5  6.5  0.0 !13C SEL
assign (resid  27 and name ha  ) (resid 170 and name h6  )  4.5  4.5  0.0 !2D 1062
assign (resid  27 and name hd2*) (resid 170 and name h1  )  4.5  4.5  0.0 !2D 9   
assign (resid  29 and name hd* ) (resid 170 and name hn21)  4.5  4.5  0.0 !2D 191 
assign (resid  30 and name hd* ) (resid 170 and name h6  )  5.5  5.5  0.0 !2D 1072
assign (resid  30 and name ha  ) (resid 170 and name h6  )  6.5  6.5  0.0 !2D 1058
assign (resid  30 and name hb1 ) (resid 170 and name h6  )  5.5  5.5  0.0 !2D 1067
assign (resid  30 and name hd* ) (resid 170 and name h1  )  5.5  5.5  0.0 !2D 3   
assign (resid  30 and name he* ) (resid 170 and name hn4*)  3.5  3.5  0.0 !2D 28  
assign (resid  30 and name hd* ) (resid 170 and name hw5*)  5.5  5.5  0.0 !13C SEL
assign (resid  30 and name he* ) (resid 170 and name hw5*)  4.5  4.5  0.0 !13C SEL
assign (resid  30 and name hz  ) (resid 170 and name hw5*)  5.5  5.5  0.0 !13C SEL
assign (resid  30 and name hb2 ) (resid 170 and name h6  )  4.5  4.5  0.0 !2D 1065
assign (resid  30 and name hz  ) (resid 170 and name h16 )  4.5  4.5  0.0 !2D 327 
assign (resid  49 and name he* ) (resid 170 and name hw5*)  3.5  3.5  0.0 !2D 1035
assign (resid  49 and name he* ) (resid 170 and name h71 )  5.5  5.5  0.0 !2D 5755
assign (resid  30 and name hb2 ) (resid 170 and name h1  )  4.5  4.5  0.0 !2D 7   
assign (resid  49 and name he* ) (resid 170 and name h16 )  4.5  4.5  0.0 !2D 1033
assign (resid  97 and name hb* ) (resid 170 and name hn42)  3.5  3.5  0.0 !2D 127 
assign (resid  54 and name hd1*) (resid 170 and name hw5*)  5.5  5.5  0.0 !13C SE?
assign (resid  97 and name hb* ) (resid 170 and name hn41)  3.5  3.5  0.0 !2D 97  
assign (resid  97 and name ha  ) (resid 170 and name hn4*)  3.5  3.5  0.0 !2D 40  
assign (resid 116 and name hg2*) (resid 170 and name hn21)  5.5  5.5  0.0 !2D 192 
assign (resid 116 and name hg1 ) (resid 170 and name hn21)  3.5  3.5  0.0 !2D 33  
assign (resid 116 and name hg1 ) (resid 170 and name h1  )  5.5  5.5  0.0 !2D 6   
!TMP/NADPH NOEs
assign (resid 168 and name h5n ) (resid 170 and name h71 )  5.0  5.0  0.0 !2D 5792
assign (resid 168 and name h5n ) (resid 170 and name h12 )  5.5  5.5  0.0 !2D 1229
assign (resid 168 and name h4#n) (resid 170 and name hn4*)  3.5  3.5  0.0 !2D 40  
!TMP/TMP NOEs
assign (resid 170 and name h71 ) (resid 170 and name hn41)  4.0  4.0  0.0 !2D 88  
assign (resid 170 and name h72 ) (resid 170 and name hn41)  4.0  4.0  0.0 !2D 87  
assign (resid 170 and name hw5*) (resid 170 and name h6  )  5.5  5.5  0.0 !13C SEL
assign (resid 170 and name h72 ) (resid 170 and name h6  )  4.5  4.5  0.0 !2D 1064
assign (resid 170 and name h71 ) (resid 170 and name h6  )  3.5  3.5  0.0 !2D 1066
assign (resid 170 and name h71 ) (resid 170 and name h12 )  3.5  3.5  0.0 !2D 936 
assign (resid 170 and name h72 ) (resid 170 and name h12 )  4.5  4.5  0.0 !2D 941 
assign (resid 170 and name h16 ) (resid 170 and name h6  )  3.5  3.5  0.0 !2D 1061
assign (resid 170 and name h12 ) (resid 170 and name h6  )  3.5  3.5  0.0 !       
!ambigues NOEs  
assign (resid  29 and name hb2 ) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 966      
assign (resid  29 and name hb1 ) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 967      
assign (resid  29 and name ha  ) (resid 155 and (name hd* or name he* ))  4.5  4.5  0.0 !2D 984      
assign (resid 116 and name hg2*) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 978      
assign (resid 116 and name hb  ) (resid 155 and (name hd* or name he* ))  4.5  4.5  0.0 !2D 964      
assign (resid 116 and name ha  ) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 963      
assign (resid 142 and name hg* ) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 972      
assign (resid 142 and name hb* ) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 971      
assign (resid 144 and name hg* ) (resid 155 and (name hd* or name he* ))  2.5  2.5  0.0 !2D 975      
assign (resid 144 and name hb  ) (resid 155 and (name hd* or name he* ))  3.5  3.5  0.0 !2D 977      
assign (resid 153 and name hd2 ) (resid 155 and (name hd* or name he* ))  4.5  4.5  0.0 !2D 960   
assign (resid 154 and name hg2*) (resid 155 and (name hd* or name he* ))  4.5  4.5  0.0 !2D 974     
!  
assign ((resid   1 and name ha  ) or (resid 103 and name ha  ))  (resid  96 and name hd1*)  5.5  5.5  0.0 !2D 5881 
assign ((resid   2 and name hb* ) or (resid  94 and name hb1 ))  (resid   2 and name hn  )  3.5  3.5  0.0 !3D 642  
assign ((resid   5 and name hn  ) or (resid   7 and name hn  ))  (resid   6 and name hn  )  4.5  4.5  0.0 !3D 3953 
assign ((resid   8 and name hn  ) or (resid  10 and name hn  ))  (resid   9 and name hn  )  3.5  3.5  0.0 !3D 2855 
assign ((resid   8 and name ha  ) or (resid 117 and name ha  ))  (resid 118 and name hn  )  3.5  3.5  0.0 !3D 702  
assign ((resid   9 and name ha  ) or (resid   8 and name hb1 ))  (resid   9 and name hn  )  4.5  4.5  0.0 !3D 2880  
assign ((resid   9 and name hb2 ) or (resid 118 and name hb2 ))  (resid   9 and name hn  )  3.5  3.5  0.0 !3D 2884  
assign ((resid  10 and name ha  ) or (resid 121 and name ha  ))  (resid  10 and name hn  )  3.5  3.5  0.0 !3D 875   
assign ((resid  12 and name hg  ) or (resid  14 and name ha  ))  (resid  14 and name hn  )  3.5  3.5  0.0           
assign ((resid  14 and name hn  ) or (resid  20 and name hd2*))  (resid 126 and name hg2*)  4.5  4.5  0.0  
assign ((resid  15 and name ha  ) or (resid  16 and name ha  ))  (resid  16 and name hn  )  4.5  4.5  0.0 !3D 36  
assign ((resid  24 and name ha  ) or (resid  26 and name hb1 ))  (resid  27 and name hn  )  3.5  3.5  0.0 !3D 1740
assign ((resid  38 and name ha  ) or (resid  58 and name hb  ))  (resid  39 and name hn  )  3.5  3.5  0.0 !3D 520  
assign ((resid  38 and name hn  ) or (resid  58 and name hn  ))  (resid  37 and name hn  )  3.5  3.5  0.0 !3D 1345 
assign ((resid  38 and name hg1*) or (resid  94 and name hd* ))  (resid  38 and name hn  )  3.5  3.5  0.0 !3D 892  
assign ((resid  39 and name ha  ) or (resid  59 and name ha  ))  (resid  39 and name hn  )  3.5  3.5  0.0 !3D 519  
assign ((resid  40 and name hb  ) or (resid  60 and name hb  ))  (resid  41 and name hn  )  3.5  3.5  0.0 !3D 4196
assign ((resid  40 and name hg1 ) or (resid  62 and name hb2 ))  (resid  41 and name hn  )  4.5  4.5  0.0 !3D 487 
assign ((resid  41 and name hg* ) or (resid  95 and name hg1*))  (resid  40 and name hn  )  4.5  4.5  0.0 !3D 3828
assign ((resid  41 and name hg* ) or (resid  75 and name hg2*))  (resid  61 and name hg2*)  3.5  3.5  0.0  
assign ((resid  43 and name ha  ) or (resid  46 and name hb1 ))  (resid  61 and name hg1*)  3.5  3.5  0.0 !  
assign ((resid  45 and name hg2*) or (resid 102 and name hg1*))  (resid  42 and name hn  )  4.5  4.5  0.0 !3D 2292
assign ((resid  50 and name hb2 ) or (resid  52 and name hd2 ))  (resid  51 and name hn  )  3.5  3.5  0.0 !3D 3165
assign ((resid  57 and name hb1 ) or (resid  57 and name hd1 ))  (resid  36 and name hn  )  4.5  4.5  0.0 !3D 2239
assign ((resid  57 and name hb1 ) or (resid  57 and name hd1 ))  (resid  36 and name ha  )  3.5  3.5  0.0 !2D 2467
assign ((resid  60 and name ha  ) or (resid  73 and name ha  ))  (resid  74 and name hn  )  3.5  3.5  0.0 !3D 570  
assign ((resid  65 and name hn  ) or (resid  38 and name hg1*))  (resid  85 and name hd* )  3.5  3.5  0.0 !3D 644  
assign ((resid  70 and name hb* ) or (resid  73 and name hb* ))  (resid  61 and name hg1*)  4.5  4.5  0.0  
assign ((resid  70 and name hb* ) or (resid  73 and name hb* ))  (resid  61 and name hg2*)  2.5  2.5  0.0  
assign ((resid  73 and name hb* ) or (resid  70 and name hb* ))  (resid  75 and name hn  )  4.5  4.5  0.0 !3D 997  
assign ((resid  90 and name hb2 ) or (resid  90 and name hg2 ))  (resid  91 and name hn  )  3.5  3.5  0.0          
assign ((resid  92 and name hb1 ) or (resid  92 and name hg2 ))  (resid  38 and name hn  )  3.5  3.5  0.0 !3D 4228 
assign ((resid  95 and name hg* ) or (resid  96 and name hg1*))  (resid   2 and name ha  )  5.5  5.5  0.0  
assign ((resid  96 and name hg2*) or (resid 110 and name hg* ))  (resid   3 and name ha  )  4.5  4.5  0.0  
assign ((resid 102 and name hb  ) or (resid 102 and name hg1 ))  (resid 103 and name hn  )  3.5  3.5  0.0 !3D 865  
assign ((resid 102 and name ha  ) or (resid 104 and name ha  ))  (resid 105 and name hn  )  3.5  3.5  0.0 !3D 1460 
assign ((resid 105 and name hb* ) or (resid 107 and name hg2 ))  (resid 106 and name hn  )  3.0  3.0  0.0 !3D 2958 
assign ((resid 110 and name ha  ) or (resid 112 and name hb  ))  (resid 113 and name hd2*)  5.5  5.5  0.0 !2D 5398 
assign ((resid 112 and name hg2 ) or (resid 113 and name hb2 ))  (resid 158 and name hn  )  3.5  3.5  0.0 !3D 41   
assign ((resid 113 and name hg  ) or (resid 139 and name hg* ))  (resid 159 and name hn  )  3.5  3.5  0.0 !3D 221  
assign ((resid 115 and name hg2*) or (resid 131 and name hd1*))  (resid   5 and name hz2 )  3.5  3.5  0.0  
assign ((resid 115 and name hg2*) or (resid 131 and name hd1*))  (resid 133 and name he3 )  5.5  5.5  0.0  
assign ((resid 115 and name hg2*) or (resid 131 and name hd1*))  (resid 133 and name hh2 )  2.5  2.5  0.0  
assign ((resid 115 and name hg2*) or (resid 131 and name hd1*))  (resid 133 and name hz2 )  3.5  3.5  0.0  
assign ((resid 118 and name hb1 ) or (resid 152 and name hg2*))  (resid 119 and name hn  )  3.5  3.5  0.0 !3D 1031
assign ((resid 120 and name hn  ) or (resid 151 and name hn  ))  (resid 152 and name hn  )  3.5  3.5  0.0 !3D 1694
assign ((resid 133 and name ha  ) or (resid 160 and name ha  ))  (resid 136 and name he* )  4.5  4.5  0.0 !3D 342  
assign ((resid 134 and name hb1 ) or (resid 135 and name hb1 ))  (resid 135 and name hn  )  3.5  3.5  0.0 !3D 1208 
assign ((resid 138 and name hd1 ) or (resid 138 and name hg2 ))  (resid 139 and name hn  )  4.5  4.5  0.0 !3D 373  
assign ((resid 138 and name hd2 ) or (resid 139 and name hg1 ))  (resid 139 and name hn  )  4.5  4.5  0.0          
assign ((resid 141 and name ha  ) or (resid 156 and name ha  ))  (resid 142 and name hn  )  3.5  3.5  0.0 !3D 809   
assign ((resid 141 and name ha  ) or (resid 157 and name ha  ))  (resid 156 and name hg* )  3.5  3.5  0.0 !2D 1319  
assign ((resid 144 and name ha  ) or (resid 153 and name hn  ))  (resid 145 and name hn  )  4.5  4.5  0.0 !3D 401   
assign ((resid 145 and name hn  ) or (resid 153 and name hn  ))  (resid 146 and name hn  )  4.5  4.5  0.0 !3D 3706  
assign ((resid 151 and name hd1*) or (resid 152 and name hg2*))  (resid 146 and name hn  )  4.5  4.5  0.0 !3D 1081  
assign ((resid 153 and name hb1 ) or (resid 156 and name hg1 ))  (resid 117 and name hn  )  3.5  3.5  0.0 !3D 3882  
assign ((resid 158 and name he3 ) or (resid 158 and name hz3 ))  (resid 138 and name hn  )  3.5  3.5  0.0 !3D 748   
!  
assign ((resid  27 and name hd2*) or (resid  54 and name hd2*))  (resid 170 and name hw5*)  3.5  3.5  0.0   !13C SE  
assign ((resid 170 and name hw2*) or (resid 153 and name ha  ))  (resid 116 and name hg2*)  3.5  3.5  0.0   !2D1205  
!  
assign ((resid   3 and name ha  ) or (resid 158  and name ha  ))  
       ((resid  96 and name hg1*) or (resid 113 and name hd2* ))  3.5  3.5  0.0  !2D 1156  
assign ((resid  29 and name he* ) or (resid  49  and name hz  ))  
       ((resid 114 and name hb2*) or (resid  97 and name hb*  ))  3.5  3.5  0.0  !2D 877  
assign ((resid  29 and name hb2 ) or (resid  79  and name ha  ))  
       ((resid 106 and name hz  ) or (resid 129 and name hd*  ))  4.5  4.5  0.0  !3D 784  
assign ((resid  79 and name ha  ) or (resid  29  and name hb2 ))  
       ((resid 106 and name hz  ) or (resid  29 and name hd1  ))  3.5  3.5  0.0           
assign ((resid  27 and name ha  ) or (resid  50  and name hd2 ))  
       ((resid  30 and name hb1 ) or (resid  49 and name hb1  ))  3.5  3.5  0.0  !2D 2000 
assign ((resid  69 and name ha  ) or (resid  81  and name ha  ))  
       ((resid  71 and name hn  ) or (resid  84 and name hn   ))  4.5  4.5  0.0  !3D 729  
assign ((resid  43 and name ha  ) or (resid  34  and name hg1 ))  
       ((resid  61 and name hg1*) or (resid  54 and name hd1  ))  4.5  4.5  0.0  !2D 2602  
assign ((resid  54 and name hd1*) or (resid  61  and name hg1*))  
       ((resid  68 and name hd* ) or (resid  59 and name hd2* ))  4.5  4.5  0.0  !2D 762  
assign ((resid  69 and name ha  ) or (resid  81  and name ha  ))  
       ((resid  71 and name hn  ) or (resid  84 and name hn   ))  3.5  3.5  0.0  !2D 762  
!ssign ((resid   5 and name hb2 ) or (resid  34  and name hg2*))  
!      ((resid   5 and name he3 ) or (resid  30 and name he1  ))  4.5  4.5  0.0  !3D   
assign ((resid  85 and name hd* ) or (resid 136  and name hd* ))  
       ((resid  60 and name hg2*) or (resid 113 and name hd2* ))  3.5  3.5  0.0  !2D 647  
assign ((resid  76 and name hg2*) or (resid  34  and name hg2*))  
       ((resid  85 and name hd* ) or (resid  30 and name hd*  ))  4.5  4.5  0.0  !2D 669  
assign ((resid   3 and name hz  ) or (resid 122  and name hd* ))  
       ((resid 107 and name hg2 ) or (resid 150 and name hb   ))  3.5  3.5  0.0  !2D 220  
assign ((resid   3 and name ha  ) or (resid 158  and name ha  ))  
       ((resid 139 and name hg* ) or (resid  96 and name hg1* ))  3.5  3.5  0.0  !2D 1151  
!  
assign ((resid 115 and name hg1*) or (resid  27  and name hd2*))  
       ((resid 158 and name hd1*) or (resid 170 and name hw4* ))  3.5  3.5  0.0  !2D 553  
! All donors (nh) in protein are found from slow H->D exchange rate constants
!b-sheet's h-bonds
!class hbonds
assign (resid   2 and name hn )   (resid  94 and name o )   2.20  0.80  0.20
assign (resid   2 and name n )    (resid  94 and name o )   3.20  0.70  0.20
assign (resid   3 and name hn )   (resid 112 and name o )   2.20  0.80  0.20
assign (resid   3 and name n )    (resid 112 and name o )   3.20  0.70  0.20
assign (resid   4 and name hn )   (resid  96 and name o )   2.20  0.80  0.20
assign (resid   4 and name n )    (resid  96 and name o )   3.20  0.70  0.20
assign (resid   5 and name hn )   (resid 114 and name o )   2.20  0.80  0.20
assign (resid   5 and name n )    (resid 114 and name o )   3.20  0.70  0.20
assign (resid   7 and name hn )   (resid 116 and name o )   2.20  0.80  0.20
assign (resid   7 and name n )    (resid 116 and name o )   3.20  0.70  0.20
assign (resid  38 and name hn )   (resid  93 and name o )   2.20  0.80  0.20
assign (resid  38 and name n )    (resid  93 and name o )   3.20  0.70  0.20
assign (resid  39 and name hn )   (resid  58 and name o )   2.20  0.80  0.20
assign (resid  39 and name n )    (resid  58 and name o )   3.20  0.70  0.20
assign (resid  40 and name hn )   (resid  95 and name o )   2.20  0.80  0.20
assign (resid  40 and name n )    (resid  95 and name o )   3.20  0.70  0.20
assign (resid  41 and name hn )   (resid  60 and name o )   2.20  0.80  0.20
assign (resid  41 and name n )    (resid  60 and name o )   3.20  0.70  0.20
assign (resid  42 and name hn )   (resid  98 and name o )   2.20  0.80  0.20
assign (resid  42 and name n )    (resid  98 and name o )   3.20  0.70  0.20
assign (resid  60 and name hn )   (resid  39 and name o )   2.20  0.80  0.20
assign (resid  60 and name n )    (resid  39 and name o )   3.20  0.70  0.20
assign (resid  61 and name hn )   (resid  74 and name o )   2.20  0.80  0.20
assign (resid  61 and name n )    (resid  74 and name o )   3.20  0.70  0.20
assign (resid  62 and name hn )   (resid  41 and name o )   2.20  0.80  0.20
assign (resid  62 and name n )    (resid  41 and name o )   3.20  0.70  0.20
assign (resid  63 and name hn )   (resid  76 and name o )   2.20  0.80  0.20
assign (resid  63 and name n )    (resid  76 and name o )   3.20  0.70  0.20
assign (resid  74 and name hn )   (resid  59 and name o )   2.20  0.80  0.20
assign (resid  74 and name n )    (resid  59 and name o )   3.20  0.70  0.20
assign (resid  76 and name hn )   (resid  61 and name o )   2.20  0.80  0.20
assign (resid  76 and name n )    (resid  61 and name o )   3.20  0.70  0.20
assign (resid  95 and name hn )   (resid  38 and name o )   2.20  0.80  0.20
assign (resid  95 and name n )    (resid  38 and name o )   3.20  0.70  0.20
assign (resid  96 and name hn )   (resid   2 and name o )   2.20  0.80  0.20
assign (resid  96 and name n )    (resid   2 and name o )   3.20  0.70  0.20
assign (resid  97 and name hn )   (resid  40 and name o )   2.20  0.80  0.20
assign (resid  97 and name n )    (resid  40 and name o )   3.20  0.70  0.20
assign (resid 112 and name hn )   (resid   1 and name o )   2.20  0.80  0.20
assign (resid 112 and name n )    (resid   1 and name o )   3.20  0.70  0.20
assign (resid 113 and name hn )   (resid 158 and name o )   2.20  0.80  0.20
assign (resid 113 and name n )    (resid 158 and name o )   3.20  0.70  0.20
assign (resid 114 and name hn )   (resid   3 and name o )   2.20  0.80  0.20
assign (resid 114 and name n )    (resid   3 and name o )   3.20  0.70  0.20
assign (resid 115 and name hn )   (resid 156 and name o )   2.20  0.80  0.20
assign (resid 115 and name n )    (resid 156 and name o )   3.20  0.70  0.20
assign (resid 116 and name hn )   (resid   5 and name o )   2.20  0.80  0.20
assign (resid 116 and name n )    (resid   5 and name o )   3.20  0.70  0.20
assign (resid 117 and name hn )   (resid 154 and name o )   2.20  0.80  0.20
assign (resid 117 and name n )    (resid 154 and name o )   3.20  0.70  0.20
assign (resid 118 and name hn )   (resid   7 and name o )   2.40  0.80  0.20
assign (resid 118 and name n )    (resid   7 and name o )   3.40  0.70  0.20
assign (resid 119 and name hn )   (resid 152 and name o )   2.20  0.80  0.20
assign (resid 119 and name n )    (resid 152 and name o )   3.20  0.70  0.20
assign (resid 120 and name hn )   (resid 150 and name o )   2.40  0.80  0.20
assign (resid 120 and name n )    (resid 150 and name o )   3.40  0.70  0.20
assign (resid 137 and name hn )   (resid 159 and name o )   2.20  0.80  0.20
assign (resid 137 and name n )    (resid 159 and name o )   3.20  0.70  0.20
assign (resid 139 and name hn )   (resid 157 and name o )   2.20  0.80  0.20
assign (resid 139 and name n )    (resid 157 and name o )   3.20  0.70  0.20
assign (resid 142 and name hn )   (resid 155 and name o )   2.20  0.80  0.20
assign (resid 142 and name n )    (resid 155 and name o )   3.20  0.70  0.20
assign (resid 144 and name hn )   (resid 153 and name o )   2.20  0.80  0.20
assign (resid 144 and name n )    (resid 153 and name o )   3.20  0.70  0.20
assign (resid 153 and name hn )   (resid 144 and name o )   2.20  0.80  0.20
assign (resid 153 and name n )    (resid 144 and name o )   3.20  0.70  0.20
assign (resid 154 and name hn )   (resid 117 and name o )   2.20  0.80  0.20
assign (resid 154 and name n )    (resid 117 and name o )   3.20  0.70  0.20
assign (resid 155 and name hn )   (resid 142 and name o )   2.20  0.80  0.20
assign (resid 155 and name n )    (resid 142 and name o )   3.20  0.70  0.20
assign (resid 156 and name hn )   (resid 115 and name o )   2.20  0.80  0.20
assign (resid 156 and name n )    (resid 115 and name o )   3.20  0.70  0.20
assign (resid 157 and name hn )   (resid 140 and name o )   2.20  0.80  0.20
assign (resid 157 and name n )    (resid 140 and name o )   3.20  0.70  0.20
assign (resid 158 and name hn )   (resid 113 and name o )   2.20  0.80  0.20
assign (resid 158 and name n )    (resid 113 and name o )   3.20  0.70  0.20
assign (resid 159 and name hn )   (resid 137 and name o )   2.20  0.80  0.20
assign (resid 159 and name n )    (resid 137 and name o )   3.20  0.70  0.20
assign (resid 160 and name hn )   (resid 111 and name o )   2.20  0.80  0.20
assign (resid 160 and name n )    (resid 111 and name o )   3.20  0.70  0.20
!
!a-helical h-bonds 
assign (resid  26 and name hn )   (resid  23 and name o )   2.30  0.80  0.20
assign (resid  26 and name n  )   (resid  23 and name o )   3.30  0.70  0.20
assign (resid  27 and name hn )   (resid  23 and name o )   2.30  0.80  0.20
assign (resid  27 and name n  )   (resid  23 and name o )   3.30  0.70  0.20
assign (resid  28 and name hn )   (resid  24 and name o )   2.30  0.80  0.20
assign (resid  28 and name n  )   (resid  24 and name o )   3.30  0.70  0.20
assign (resid  29 and name hn )   (resid  25 and name o )   2.30  0.80  0.20
assign (resid  29 and name n  )   (resid  25 and name o )   3.30  0.70  0.20
assign (resid  30 and name hn )   (resid  26 and name o )   2.30  0.80  0.20
assign (resid  30 and name n  )   (resid  26 and name o )   3.30  0.70  0.20
assign (resid  32 and name hn )   (resid  28 and name o )   2.30  0.80  0.20
assign (resid  32 and name n  )   (resid  28 and name o )   3.30  0.70  0.20
assign (resid  33 and name hn )   (resid  29 and name o )   2.30  0.80  0.20
assign (resid  33 and name n  )   (resid  29 and name o )   3.30  0.70  0.20
assign (resid  46 and name hn )   (resid  42 and name o )   2.30  0.80  0.20
assign (resid  46 and name n  )   (resid  42 and name o )   3.30  0.70  0.20
assign (resid  47 and name hn )   (resid  43 and name o )   2.30  0.80  0.20
assign (resid  47 and name n  )   (resid  43 and name o )   3.30  0.70  0.20
assign (resid  48 and name hn )   (resid  44 and name o )   2.30  0.80  0.20
assign (resid  48 and name n  )   (resid  44 and name o )   3.30  0.70  0.20
assign (resid  49 and name hn )   (resid  45 and name o )   2.30  0.80  0.20
assign (resid  49 and name n  )   (resid  45 and name o )   3.30  0.70  0.20
assign (resid  81 and name hn )   (resid  78 and name o )   2.30  0.80  0.20
assign (resid  81 and name n  )   (resid  78 and name o )   3.30  0.70  0.20
assign (resid  82 and name hn )   (resid  78 and name o )   2.30  0.80  0.20
assign (resid  82 and name n  )   (resid  78 and name o )   3.30  0.70  0.20
assign (resid  83 and name hn )   (resid  79 and name o )   2.30  0.80  0.20
assign (resid  83 and name n  )   (resid  79 and name o )   3.30  0.70  0.20
assign (resid  84 and name hn )   (resid  80 and name o )   2.30  0.80  0.20
assign (resid  84 and name n  )   (resid  80 and name o )   3.30  0.70  0.20
assign (resid  85 and name hn )   (resid  81 and name o )   2.30  0.80  0.20
assign (resid  85 and name n  )   (resid  81 and name o )   3.30  0.70  0.20
assign (resid  86 and name hn )   (resid  82 and name o )   2.30  0.80  0.20
assign (resid  86 and name n  )   (resid  82 and name o )   3.30  0.70  0.20
assign (resid  87 and name hn )   (resid  83 and name o )   2.30  0.80  0.20
assign (resid  87 and name n  )   (resid  83 and name o )   3.30  0.70  0.20
assign (resid  88 and name hn )   (resid  84 and name o )   2.30  0.80  0.20
assign (resid  88 and name n  )   (resid  84 and name o )   3.30  0.70  0.20
assign (resid  89 and name hn )   (resid  85 and name o )   2.30  0.80  0.20
assign (resid  89 and name n  )   (resid  85 and name o )   3.30  0.70  0.20
assign (resid 102 and name hn )   (resid  99 and name o )   2.30  0.80  0.20
assign (resid 102 and name n  )   (resid  99 and name o )   3.30  0.70  0.20
assign (resid 103 and name hn )   (resid  99 and name o )   2.30  0.80  0.20
assign (resid 103 and name n  )   (resid  99 and name o )   3.30  0.70  0.20
assign (resid 104 and name hn )   (resid 100 and name o )   2.30  0.80  0.20
assign (resid 104 and name n  )   (resid 100 and name o )   3.30  0.70  0.20
assign (resid 105 and name hn )   (resid 101 and name o )   2.30  0.80  0.20
assign (resid 105 and name n  )   (resid 101 and name o )   3.30  0.70  0.20
assign (resid 106 and name hn )   (resid 102 and name o )   2.30  0.80  0.20
assign (resid 106 and name n  )   (resid 102 and name o )   3.30  0.70  0.20
assign (resid 107 and name hn )   (resid 103 and name o )   2.30  0.80  0.20
assign (resid 107 and name n  )   (resid 103 and name o )   3.30  0.70  0.20
! turns
assign (resid   8 and name hn )   (resid  12 and name o )   2.40  0.80  0.50
assign (resid   8 and name n )    (resid  12 and name o )   3.40  0.70  0.50
assign (resid   9 and name hn )   ((resid 118 and name o ) or (resid 120 and name o ))  2.40  0.80  0.50
assign (resid   9 and name n )    ((resid 118 and name o ) or (resid 120 and name o ))  3.40  0.70  0.50
assign (resid  11 and name hn )   (resid   8 and name o )   2.40  0.80  0.50
assign (resid  11 and name n )    (resid   8 and name o )   3.40  0.70  0.50
assign (resid  12 and name hn )   (resid   8 and name od*)   2.40  0.80  0.50
assign (resid  12 and name n )    (resid   8 and name od*)   3.40  0.70  0.50
assign (resid  13 and name hn )   (resid 126 and name o )   2.40  0.80  0.50
assign (resid  13 and name n )    (resid 126 and name o )   3.40  0.70  0.50
assign (resid  14 and name hn )   (resid 126 and name o )   2.40  0.80  0.50
assign (resid  14 and name n )    (resid 126 and name o )   3.40  0.70  0.50
assign (resid  15 and name hn )   (resid  18 and name o )   2.40  0.80  0.50
assign (resid  15 and name n )    (resid  18 and name o )   3.40  0.70  0.50
assign (resid  34 and name hn )   ((resid  31 and name o ) or (resid  32 and name o ))  2.40  0.80  0.50
assign (resid  34 and name n )    ((resid  31 and name o ) or (resid  32 and name o ))  3.40  0.70  0.50
assign (resid  35 and name hn )   ((resid  31 and name o ) or (resid  32 and name o ))  2.40  0.80  0.50
assign (resid  35 and name n )    ((resid  31 and name o ) or (resid  32 and name o ))  3.40  0.70  0.50
assign (resid  37 and name hn )   (resid  34 and name o )   2.40  0.80  0.50
assign (resid  37 and name n )    (resid  34 and name o )   3.40  0.70  0.50
assign (resid  57 and name hn )   (resid  54 and name o )   2.50  0.80  0.50
assign (resid  57 and name n )    (resid  54 and name o )   3.50  0.70  0.50
assign (resid  73 and name hn )   (resid  70 and name o )   2.40  0.80  0.50
assign (resid  73 and name n )    (resid  70 and name o )   3.40  0.70  0.50
assign (resid  92 and name hn )   (resid  89 and name o )   2.40  0.80  0.50
assign (resid  92 and name n )    (resid  89 and name o )   3.40  0.70  0.50
assign (resid  98 and name hn )   (resid  40 and name o )   2.40  0.80  0.50
assign (resid  98 and name n )    (resid  40 and name o )   3.40  0.70  0.50
assign (resid 128 and name hn )   (resid  11 and name o )   2.40  0.80  0.50
assign (resid 128 and name n  )   (resid  11 and name o )   3.40  0.70  0.50
assign (resid 133 and name hn )   (resid 131 and name o )   2.40  0.80  0.50
assign (resid 133 and name n  )   (resid 131 and name o )   3.40  0.70  0.50
assign (resid 135 and name hn )   (resid 132 and name o )   2.40  0.80  0.50
assign (resid 135 and name n  )   (resid 132 and name o )   3.40  0.70  0.50
assign (resid 136 and name hn )   (resid 132 and name o )   2.40  0.80  0.50
assign (resid 136 and name n  )   (resid 132 and name o )   3.40  0.70  0.50
assign (resid 140 and name hn )   (resid 157 and name o )   2.40  0.80  0.50
assign (resid 140 and name n  )   (resid 157 and name o )   3.40  0.70  0.50
assign (resid 151 and name hn )   (resid 148 and name o )   2.40  0.80  0.50
assign (resid 151 and name n  )   (resid 148 and name o )   3.40  0.70  0.50
assign (resid 152 and name hn )   (resid 149 and name o )   2.40  0.80  0.50
assign (resid 152 and name n  )   (resid 149 and name o )   3.40  0.70  0.50
!
assign (resid  34 and name hg1)   (resid  30 and name o )   2.40  0.80  0.20
assign (resid  34 and name og1)   (resid  30 and name o )   3.40  0.70  0.20
assign (resid 116 and name hg1)   (resid  26 and name od2)  2.40  0.80  0.20
assign (resid 116 and name og1)   (resid  26 and name od2)  3.40  0.70  0.20
!
!Constraints below are included at the very last stage of refinement 
!
!Constraints for Asp-26 - TMP interaction
!Polshakov et al., Theochem - J. Mol. Struct., 357, 207-217(1995)
assign (resid 170 and name h1 )  (resid  26 and name od1 )  2.00  0.20  0.20
assign (resid 170 and name n1)   (resid  26 and name od1 )  3.00  0.20  0.20
assign (resid 170 and name hn2*) (resid  26 and name od2 )  2.00  0.20  0.20
assign (resid 170 and name n2 )  (resid  26 and name od2 )  3.00  0.20  0.20
!Constraints for DHFR - NADPH interaction
!Polshakov et al., J. Mol. Struct., 602/603, 257-267(2002)
assign (resid   6 and name hn )  (resid 168 and name o7n)  2.40  0.80  0.50
assign (resid   6 and name n )   (resid 168 and name o7n)  3.40  0.70  0.50
!Gargaro et al., Eur. J. Biochem., 238, 435-439(1996)
assign (resid  43 and name hn )  ((resid  62 and name o ) or (resid 168 and name o4'a))  2.40  0.80  0.50
assign (resid  43 and name n )   ((resid  62 and name o ) or (resid 168 and name o4'a))  3.40  0.70  0.50
assign (resid  43 and name he  ) (resid 168 and name op#a)  2.00  0.20  0.20
assign (resid  43 and name ne  ) (resid 168 and name op#a)  3.00  0.20  0.20
assign (resid  43 and name hh11) (resid 168 and name op#a)  2.00  0.20  0.20
assign (resid  43 and name nh1 ) (resid 168 and name op#a)  3.00  0.20  0.20
! H-bonds detected on comparison between complexes with/without NADPH
assign (resid  45 and name hn )  (resid 168 and name o#a)   2.40  0.80  0.50
assign (resid  45 and name n )   (resid 168 and name o#a)   3.40  0.70  0.50
assign (resid  63 and name hg1)  (resid 168 and name op#a)  2.40  0.80  0.20
assign (resid  63 and name og1)  (resid 168 and name op#a)  3.40  0.70  0.20
assign (resid  65 and name he2#) (resid 168 and name op#a)  2.40  0.80  0.20
assign (resid  65 and name ne2)  (resid 168 and name op#a)  3.40  0.70  0.20
! Torsion angle restraints
! Phi restraints (126)
assign (resid   1 and name c) (resid   2 and name n)
       (resid   2 and name ca)(resid   2 and name c) 1.0 -120.0 40.0 2   
assign (resid   2 and name c) (resid   3 and name n)
       (resid   3 and name ca)(resid   3 and name c) 1.0 -100.0 40.0 2   
assign (resid   3 and name c) (resid   4 and name n)                     
       (resid   4 and name ca)(resid   4 and name c) 1.0 -140.0 40.0 2   
assign (resid   4 and name c) (resid   5 and name n)                     
       (resid   5 and name ca)(resid   5 and name c) 1.0 -140.0 30.0 2   
assign (resid   5 and name c) (resid   6 and name n)                     
       (resid   6 and name ca)(resid   6 and name c) 1.0 -120.0 40.0 2   
assign (resid   7 and name c) (resid   8 and name n)                     
       (resid   8 and name ca)(resid   8 and name c) 1.0 -120.0 50.0 2   
assign (resid   8 and name c) (resid   9 and name n)                    
       (resid   9 and name ca)(resid   9 and name c) 1.0 -60.0 50.0 2  
assign (resid   9 and name c) (resid  10 and name n)
       (resid  10 and name ca)(resid  10 and name c) 1.0 -111.0 50.0 2
assign (resid  11 and name c) (resid  12 and name n)
       (resid  12 and name ca)(resid  12 and name c) 1.0 -90.0 40.0 2
assign (resid  12 and name c) (resid  13 and name n)
       (resid  13 and name ca)(resid  13 and name c) 1.0 -120.0 30.0 2
assign (resid  14 and name c) (resid  15 and name n)
       (resid  15 and name ca)(resid  15 and name c) 1.0 -140.0 40.0 2
assign (resid  15 and name c) (resid  16 and name n)
       (resid  16 and name ca)(resid  16 and name c) 1.0  60.0 30.0 2
assign (resid  17 and name c) (resid  18 and name n)
       (resid  18 and name ca)(resid  18 and name c) 1.0 -87.0 50.0 2
assign (resid  22 and name c) (resid  23 and name n)
       (resid  23 and name ca)(resid  23 and name c) 1.0 -120.0 40.0 2
assign (resid  24 and name c) (resid  25 and name n)
       (resid  25 and name ca)(resid  25 and name c) 1.0 -60.0 30.0 2    
assign (resid  25 and name c) (resid  26 and name n)                     
       (resid  26 and name ca)(resid  26 and name c) 1.0 -87.0 40.0 2    
assign (resid  26 and name c) (resid  27 and name n)                     
       (resid  27 and name ca)(resid  27 and name c) 1.0 -66.0 30.0 2    
assign (resid  27 and name c) (resid  28 and name n)                     
       (resid  28 and name ca)(resid  28 and name c) 1.0 -60.0 40.0 2    
assign (resid  28 and name c) (resid  29 and name n)                     
       (resid  29 and name ca)(resid  29 and name c) 1.0 -69.0 40.0 2    
assign (resid  29 and name c) (resid  30 and name n)                     
       (resid  30 and name ca)(resid  30 and name c) 1.0 -69.0 30.0 2    
assign (resid  30 and name c) (resid  31 and name n)                     
       (resid  31 and name ca)(resid  31 and name c) 1.0 -60.0 30.0 2    
assign (resid  31 and name c) (resid  32 and name n)                     
       (resid  32 and name ca)(resid  32 and name c) 1.0 -60.0 40.0 2    
assign (resid  32 and name c) (resid  33 and name n)                     
       (resid  33 and name ca)(resid  33 and name c) 1.0 -87.0 40.0 2    
assign (resid  33 and name c) (resid  34 and name n)
       (resid  34 and name ca)(resid  34 and name c) 1.0 -120.0 40.0 2
assign (resid  34 and name c) (resid  35 and name n)
       (resid  35 and name ca)(resid  35 and name c) 1.0 -60.0 30.0 2
assign (resid  36 and name c) (resid  37 and name n)
       (resid  37 and name ca)(resid  37 and name c) 1.0 -140.0 30.0 2
assign (resid  37 and name c) (resid  38 and name n)
       (resid  38 and name ca)(resid  38 and name c) 1.0 -110.0 40.0 2
assign (resid  38 and name c) (resid  39 and name n)
       (resid  39 and name ca)(resid  39 and name c) 1.0  -93.0 50.0 2
assign (resid  39 and name c) (resid  40 and name n)
       (resid  40 and name ca)(resid  40 and name c) 1.0 -123.0 30.0 2
assign (resid  40 and name c) (resid  41 and name n)
       (resid  41 and name ca)(resid  41 and name c) 1.0 -120.0 30.0 2
assign (resid  42 and name c) (resid  43 and name n)                     
       (resid  43 and name ca)(resid  43 and name c) 1.0 -69.0 30.0 2    
assign (resid  43 and name c) (resid  44 and name n)                     
       (resid  44 and name ca)(resid  44 and name c) 1.0 -69.0 30.0 2    
assign (resid  44 and name c) (resid  45 and name n)                     
       (resid  45 and name ca)(resid  45 and name c) 1.0 -69.0 30.0 2    
assign (resid  46 and name c) (resid  47 and name n)                     
       (resid  47 and name ca)(resid  47 and name c) 1.0 -75.0 30.0 2    
assign (resid  47 and name c) (resid  48 and name n)                     
       (resid  48 and name ca)(resid  48 and name c) 1.0 -69.0 30.0 2    
assign (resid  48 and name c) (resid  49 and name n)                     
       (resid  49 and name ca)(resid  49 and name c) 1.0 -69.0 30.0 2    
assign (resid  50 and name c) (resid  51 and name n)
       (resid  51 and name ca)(resid  51 and name c) 1.0 -120.0 40.0 2
assign (resid  51 and name c) (resid  52 and name n)
       (resid  52 and name ca)(resid  52 and name c) 1.0 -110.0 40.0 2
assign (resid  53 and name c) (resid  54 and name n)
       (resid  54 and name ca)(resid  54 and name c) 1.0 -75.0 40.0 2
assign (resid  55 and name c) (resid  56 and name n)
       (resid  56 and name ca)(resid  56 and name c) 1.0  60.0 40.0 2
assign (resid  56 and name c) (resid  57 and name n)
       (resid  57 and name ca)(resid  57 and name c) 1.0 -141.0 50.0 2
assign (resid  57 and name c) (resid  58 and name n)
       (resid  58 and name ca)(resid  58 and name c) 1.0 -108.0 40.0 2
assign (resid  59 and name c) (resid  60 and name n)
       (resid  60 and name ca)(resid  60 and name c) 1.0 -120.0 30.0 2
assign (resid  60 and name c) (resid  61 and name n)
       (resid  61 and name ca)(resid  61 and name c) 1.0 -100.0 40.0 2
assign (resid  61 and name c) (resid  62 and name n)
       (resid  62 and name ca)(resid  62 and name c) 1.0 -120.0 50.0 2
assign (resid  62 and name c) (resid  63 and name n)
       (resid  63 and name ca)(resid  63 and name c) 1.0 -120.0 50.0 2
assign (resid  63 and name c) (resid  64 and name n)
       (resid  64 and name ca)(resid  64 and name c) 1.0 -100.0 50.0 2
assign (resid  64 and name c) (resid  65 and name n)
       (resid  65 and name ca)(resid  65 and name c) 1.0 -120.0 50.0 2
assign (resid  66 and name c) (resid  67 and name n)
       (resid  67 and name ca)(resid  67 and name c) 1.0 -110.0 40.0 2
assign (resid  67 and name c) (resid  68 and name n)
       (resid  68 and name ca)(resid  68 and name c) 1.0 -90.0 40.0 2
assign (resid  68 and name c) (resid  69 and name n)
       (resid  69 and name ca)(resid  69 and name c) 1.0 -120.0 40.0 2
assign (resid  69 and name c) (resid  70 and name n)
       (resid  70 and name ca)(resid  70 and name c) 1.0 -110.0 30.0 2
assign (resid  70 and name c) (resid  71 and name n)
       (resid  71 and name ca)(resid  71 and name c) 1.0  -69.0 40.0 2
assign (resid  72 and name c) (resid  73 and name n)
       (resid  73 and name ca)(resid  73 and name c) 1.0 -120.0 40.0 2
assign (resid  73 and name c) (resid  74 and name n)
       (resid  74 and name ca)(resid  74 and name c) 1.0 -110.0 50.0 2
assign (resid  74 and name c) (resid  75 and name n)
       (resid  75 and name ca)(resid  75 and name c) 1.0 -110.0 50.0 2
assign (resid  75 and name c) (resid  76 and name n)
       (resid  76 and name ca)(resid  76 and name c) 1.0 -120.0 40.0 2
assign (resid  76 and name c) (resid  77 and name n)
       (resid  77 and name ca)(resid  77 and name c) 1.0 -120.0 40.0 2
assign (resid  77 and name c) (resid  78 and name n)                   
       (resid  78 and name ca)(resid  78 and name c) 1.0 -140.0 40.0 2
assign (resid  78 and name c) (resid  79 and name n)                      
       (resid  79 and name ca)(resid  79 and name c) 1.0 -60.0 30.0 2    
assign (resid  79 and name c) (resid  80 and name n)                     
       (resid  80 and name ca)(resid  80 and name c) 1.0 -60.0 30.0 2    
assign (resid  80 and name c) (resid  81 and name n)                     
       (resid  81 and name ca)(resid  81 and name c) 1.0 -60.0 30.0 2    
assign (resid  81 and name c) (resid  82 and name n)                     
       (resid  82 and name ca)(resid  82 and name c) 1.0 -60.0 30.0 2    
assign (resid  82 and name c) (resid  83 and name n)                     
       (resid  83 and name ca)(resid  83 and name c) 1.0 -60.0 30.0 2    
assign (resid  83 and name c) (resid  84 and name n)                     
       (resid  84 and name ca)(resid  84 and name c) 1.0 -60.0 30.0 2    
assign (resid  84 and name c) (resid  85 and name n)                     
       (resid  85 and name ca)(resid  85 and name c) 1.0 -60.0 40.0 2    
assign (resid  85 and name c) (resid  86 and name n)                     
       (resid  86 and name ca)(resid  86 and name c) 1.0 -69.0 30.0 2    
assign (resid  86 and name c) (resid  87 and name n)                     
       (resid  87 and name ca)(resid  87 and name c) 1.0 -69.0 30.0 2    
assign (resid  88 and name c) (resid  89 and name n)                     
       (resid  89 and name ca)(resid  89 and name c) 1.0 -120.0 30.0 2
assign (resid  91 and name c) (resid  92 and name n)     
       (resid  92 and name ca)(resid  92 and name c) 1.0 -120.0 40.0 2
assign (resid  92 and name c) (resid  93 and name n)     
       (resid  93 and name ca)(resid  93 and name c) 1.0 -120.0 40.0 2
assign (resid  95 and name c) (resid  96 and name n)
       (resid  96 and name ca)(resid  96 and name c) 1.0 -120.0 50.0 2
assign (resid  96 and name c) (resid  97 and name n)
       (resid  97 and name ca)(resid  97 and name c) 1.0 -100.0 50.0 2
assign (resid  98 and name c) (resid  99 and name n)
       (resid  99 and name ca)(resid  99 and name c) 1.0 -60.0 40.0 2
assign (resid  99 and name c) (resid 100 and name n)                     
       (resid 100 and name ca)(resid 100 and name c) 1.0 -60.0 40.0 2    
assign (resid 100 and name c) (resid 101 and name n)                     
       (resid 101 and name ca)(resid 101 and name c) 1.0 -69.0 30.0 2    
assign (resid 101 and name c) (resid 102 and name n)                     
       (resid 102 and name ca)(resid 102 and name c) 1.0 -78.0 30.0 2    
assign (resid 102 and name c) (resid 103 and name n)                     
       (resid 103 and name ca)(resid 103 and name c) 1.0 -51.0 30.0 2    
assign (resid 104 and name c) (resid 105 and name n)                     
       (resid 105 and name ca)(resid 105 and name c) 1.0 -63.0 30.0 2    
assign (resid 105 and name c) (resid 106 and name n)                  
       (resid 106 and name ca)(resid 106 and name c) 1.0 -120.0 40.0 2  
assign (resid 106 and name c) (resid 107 and name n)                   
       (resid 107 and name ca)(resid 107 and name c) 1.0  -78.0 40.0 2
assign (resid 107 and name c) (resid 108 and name n)       
       (resid 108 and name ca)(resid 108 and name c) 1.0 -93.0 30.0 2
assign (resid 108 and name c) (resid 109 and name n)
       (resid 109 and name ca)(resid 109 and name c) 1.0 -120.0 40.0 2
assign (resid 109 and name c) (resid 110 and name n)
       (resid 110 and name ca)(resid 110 and name c) 1.0 -111.0 50.0 2
assign (resid 110 and name c) (resid 111 and name n)
       (resid 111 and name ca)(resid 111 and name c) 1.0 -120.0 30.0 2
assign (resid 111 and name c) (resid 112 and name n)
       (resid 112 and name ca)(resid 112 and name c) 1.0 -120.0 40.0 2
assign (resid 112 and name c) (resid 113 and name n)
       (resid 113 and name ca)(resid 113 and name c) 1.0 -120.0 30.0 2
assign (resid 113 and name c) (resid 114 and name n)
       (resid 114 and name ca)(resid 114 and name c) 1.0 -120.0 50.0 2
assign (resid 115 and name c) (resid 116 and name n)
       (resid 116 and name ca)(resid 116 and name c) 1.0 -120.0 30.0 2
assign (resid 116 and name c) (resid 117 and name n)
       (resid 117 and name ca)(resid 117 and name c) 1.0 -120.0 40.0 2
assign (resid 117 and name c) (resid 118 and name n)
       (resid 118 and name ca)(resid 118 and name c) 1.0 -93.0 40.0 2
assign (resid 120 and name c) (resid 121 and name n)
       (resid 121 and name ca)(resid 121 and name c) 1.0 -100.0 40.0 2
assign (resid 121 and name c) (resid 122 and name n)
       (resid 122 and name ca)(resid 122 and name c) 1.0 -120.0 30.0 2
assign (resid 124 and name c) (resid 125 and name n)
       (resid 125 and name ca)(resid 125 and name c) 1.0 -120.0 30 2 
assign (resid 125 and name c) (resid 126 and name n)
       (resid 126 and name ca)(resid 126 and name c) 1.0 -110.0 50.0 2
assign (resid 126 and name c) (resid 127 and name n)
       (resid 127 and name ca)(resid 127 and name c) 1.0 -120.0 30.0 2 
assign (resid 127 and name c) (resid 128 and name n)
       (resid 128 and name ca)(resid 128 and name c) 1.0 -90.0 40.0 2 
assign (resid 128 and name c) (resid 129 and name n)
       (resid 129 and name ca)(resid 129 and name c) 1.0 -60.0 40.0 2 
assign (resid 130 and name c) (resid 131 and name n)
       (resid 131 and name ca)(resid 131 and name c) 1.0 -100.0 40.0 2
assign (resid 131 and name c) (resid 132 and name n)
       (resid 132 and name ca)(resid 132 and name c) 1.0 -100.0 40.0 2
assign (resid 132 and name c) (resid 133 and name n)
       (resid 133 and name ca)(resid 133 and name c) 1.0 -60.0 30.0 2
assign (resid 133 and name c) (resid 134 and name n)
       (resid 134 and name ca)(resid 134 and name c) 1.0 -75.0 30.0 2
assign (resid 135 and name c) (resid 136 and name n)
       (resid 136 and name ca)(resid 136 and name c) 1.0 -120.0 50.0 2
assign (resid 136 and name c) (resid 137 and name n)
       (resid 137 and name ca)(resid 137 and name c) 1.0 -120.0 40.0 2
assign (resid 137 and name c) (resid 138 and name n)
       (resid 138 and name ca)(resid 138 and name c) 1.0 -90.0 40.0 2
assign (resid 138 and name c) (resid 139 and name n)
       (resid 139 and name ca)(resid 139 and name c) 1.0 -120.0 30.0 2
assign (resid 140 and name c) (resid 141 and name n)
       (resid 141 and name ca)(resid 141 and name c) 1.0 -140.0 30.0 2
assign (resid 141 and name c) (resid 142 and name n)
       (resid 142 and name ca)(resid 142 and name c) 1.0 -120.0 40.0 2
assign (resid 142 and name c) (resid 143 and name n)
       (resid 143 and name ca)(resid 143 and name c) 1.0 -90.0 50.0 2
assign (resid 143 and name c) (resid 144 and name n)
       (resid 144 and name ca)(resid 144 and name c) 1.0 -140.0 30.0 2
assign (resid 144 and name c) (resid 145 and name n)
       (resid 145 and name ca)(resid 145 and name c) 1.0 -120.0 30.0 2
assign (resid 145 and name c) (resid 146 and name n)
       (resid 146 and name ca)(resid 146 and name c) 1.0 -120.0 40.0 2
assign (resid 146 and name c) (resid 147 and name n)
       (resid 147 and name ca)(resid 147 and name c) 1.0 -78.0 40.0 2
assign (resid 147 and name c) (resid 148 and name n)
       (resid 148 and name ca)(resid 148 and name c) 1.0 -90.0 50.0 2
assign (resid 149 and name c) (resid 150 and name n)
       (resid 150 and name ca)(resid 150 and name c) 1.0 -69.0 30.0 2
assign (resid 150 and name c) (resid 151 and name n)
       (resid 151 and name ca)(resid 151 and name c) 1.0 -110.0 40.0 2
assign (resid 151 and name c) (resid 152 and name n)
       (resid 152 and name ca)(resid 152 and name c) 1.0 -63.0 30.0 2
assign (resid 152 and name c) (resid 153 and name n)
       (resid 153 and name ca)(resid 153 and name c) 1.0 -120.0 60.0 2
assign (resid 153 and name c) (resid 154 and name n)
       (resid 154 and name ca)(resid 154 and name c) 1.0 -120.0 30.0 2
assign (resid 154 and name c) (resid 155 and name n)
       (resid 155 and name ca)(resid 155 and name c) 1.0 -110.0 40.0 2
assign (resid 155 and name c) (resid 156 and name n)
       (resid 156 and name ca)(resid 156 and name c) 1.0 -110.0 40.0 2
assign (resid 157 and name c) (resid 158 and name n)
       (resid 158 and name ca)(resid 158 and name c) 1.0 -120.0 30.0 2
assign (resid 158 and name c) (resid 159 and name n)
       (resid 159 and name ca)(resid 159 and name c) 1.0 -120.0 30.0 2
assign (resid 159 and name c) (resid 160 and name n)
       (resid 160 and name ca)(resid 160 and name c) 1.0 -69.0 30.0 2
assign (resid 160 and name c) (resid 161 and name n)
       (resid 161 and name ca)(resid 161 and name c) 1.0 -120.0 60.0 2
assign (resid 161 and name c) (resid 162 and name n)
       (resid 162 and name ca)(resid 162 and name c) 1.0 -120.0 60.0 2
! Psi restraints  (121)
assign (resid   2 and name n) (resid   2 and name ca) 
       (resid   2 and name c) (resid   3 and name n) 1.0 135.0 40.0 2 
assign (resid   3 and name n) (resid   3 and name ca)
       (resid   3 and name c) (resid   4 and name n) 1.0 120.0 50.0 2
assign (resid   4 and name n) (resid   4 and name ca)
       (resid   4 and name c) (resid   5 and name n) 1.0 120.0 40.0 2
assign (resid   5 and name n) (resid   5 and name ca)
       (resid   5 and name c) (resid   6 and name n) 1.0 140.0 40.0 2
assign (resid   6 and name n) (resid   6 and name ca)
       (resid   6 and name c) (resid   7 and name n) 1.0 120.0 40.0 2
assign (resid   7 and name n) (resid   7 and name ca)
       (resid   7 and name c) (resid   8 and name n) 1.0 140.0 40.0 2
assign (resid   8 and name n) (resid   8 and name ca)
       (resid   8 and name c) (resid   9 and name n) 1.0 140.0 60.0 3 
assign (resid   9 and name n) (resid   9 and name ca)
       (resid   9 and name c) (resid  10 and name n) 1.0 -30.0 50.0 3 
assign (resid  10 and name n) (resid  10 and name ca)
       (resid  10 and name c) (resid  11 and name n) 1.0 -18.0 50.0 2
assign (resid  12 and name n) (resid  12 and name ca)
       (resid  12 and name c) (resid  13 and name n) 1.0 135.0 50.0 2
assign (resid  13 and name n) (resid  13 and name ca)
       (resid  13 and name c) (resid  14 and name n) 1.0 -18.0 50.0 2
assign (resid  15 and name n) (resid  15 and name ca)
       (resid  15 and name c) (resid  16 and name n) 1.0 123.0 50.0 2
assign (resid  16 and name n) (resid  16 and name ca)
       (resid  16 and name c) (resid  17 and name n) 1.0  60.0 60.0 2
assign (resid  18 and name n) (resid  18 and name ca)
       (resid  18 and name c) (resid  19 and name n) 1.0 144.0 50.0 2
assign (resid  21 and name n) (resid  21 and name ca)
       (resid  21 and name c) (resid  22 and name n) 1.0 160.0 40.0 2
assign (resid  22 and name n) (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name n) 1.0 120.0 40.0 2
assign (resid  25 and name n) (resid  25 and name ca)
       (resid  25 and name c) (resid  26 and name n) 1.0 -60.0 40.0 2
assign (resid  26 and name n) (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name n) 1.0 -30.0 40.0 2
assign (resid  27 and name n) (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name n) 1.0 -60.0 40.0 2
assign (resid  28 and name n) (resid  28 and name ca)
       (resid  28 and name c) (resid  29 and name n) 1.0 -39.0 40.0 2 
assign (resid  29 and name n) (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name n) 1.0 -39.0 40.0 2
assign (resid  30 and name n) (resid  30 and name ca)
       (resid  30 and name c) (resid  31 and name n) 1.0 -60.0 40.0 2
assign (resid  31 and name n) (resid  31 and name ca)
       (resid  31 and name c) (resid  32 and name n) 1.0 -30.0 40.0 2
assign (resid  32 and name n) (resid  32 and name ca)
       (resid  32 and name c) (resid  33 and name n) 1.0 -39.0 40.0 2
assign (resid  33 and name n) (resid  33 and name ca)
       (resid  33 and name c) (resid  34 and name n) 1.0  25.0 50.0 2
assign (resid  34 and name n) (resid  34 and name ca)
       (resid  34 and name c) (resid  35 and name n) 1.0 3.0 40.0 2
assign (resid  35 and name n) (resid  35 and name ca)
       (resid  35 and name c) (resid  36 and name n) 1.0 140.0 40.0 2
assign (resid  38 and name n) (resid  38 and name ca)
       (resid  38 and name c) (resid  39 and name n) 1.0 117.0 40.0 2
assign (resid  39 and name n) (resid  39 and name ca)
       (resid  39 and name c) (resid  40 and name n) 1.0 120.0 50.0 2
assign (resid  40 and name n) (resid  40 and name ca)
       (resid  40 and name c) (resid  41 and name n) 1.0 120.0 40.0 2
assign (resid  41 and name n) (resid  41 and name ca)
       (resid  41 and name c) (resid  42 and name n) 1.0 155.0 40.0 2
assign (resid  43 and name n) (resid  43 and name ca)
       (resid  43 and name c) (resid  44 and name n) 1.0 -39.0 40.0 2
assign (resid  44 and name n) (resid  44 and name ca)
       (resid  44 and name c) (resid  45 and name n) 1.0 -60.0 30.0 2 
assign (resid  45 and name n) (resid  45 and name ca)
       (resid  45 and name c) (resid  46 and name n) 1.0 -50.0 40.0 2
assign (resid  46 and name n) (resid  46 and name ca)
       (resid  46 and name c) (resid  47 and name n) 1.0 -40.0 40.0 2
assign (resid  47 and name n) (resid  47 and name ca)
       (resid  47 and name c) (resid  48 and name n) 1.0 -30.0 40.0 2 
assign (resid  48 and name n) (resid  48 and name ca)
       (resid  48 and name c) (resid  49 and name n) 1.0 -30.0 40.0 2
assign (resid  51 and name n) (resid  51 and name ca)
       (resid  51 and name c) (resid  52 and name n) 1.0 120.0 50.0 2
assign (resid  52 and name n) (resid  52 and name ca)
       (resid  52 and name c) (resid  53 and name n) 1.0 140.0 40.0 2
assign (resid  56 and name n) (resid  56 and name ca)
       (resid  56 and name c) (resid  57 and name n) 1.0 51.0 40.0 2
assign (resid  57 and name n) (resid  57 and name ca)
       (resid  57 and name c) (resid  58 and name n) 1.0 151.0 40.0 2
assign (resid  58 and name n) (resid  58 and name ca)
       (resid  58 and name c) (resid  59 and name n) 1.0 120.0 40.0 2
assign (resid  59 and name n) (resid  59 and name ca)
       (resid  59 and name c) (resid  60 and name n) 1.0 120.0 40.0 2
assign (resid  60 and name n) (resid  60 and name ca)
       (resid  60 and name c) (resid  61 and name n) 1.0 120.0 40.0 2
assign (resid  61 and name n) (resid  61 and name ca)
       (resid  61 and name c) (resid  62 and name n) 1.0 140.0 40.0 2
assign (resid  62 and name n) (resid  62 and name ca)
       (resid  62 and name c) (resid  63 and name n) 1.0 120.0 40.0 2
assign (resid  65 and name n) (resid  65 and name ca)
       (resid  65 and name c) (resid  66 and name n) 1.0 141.0 40.0 2
assign (resid  67 and name n) (resid  67 and name ca)
       (resid  67 and name c) (resid  68 and name n) 1.0  10.0 60.0 2
assign (resid  69 and name n) (resid  69 and name ca)
       (resid  69 and name c) (resid  70 and name n) 1.0 120.0 50.0 2
assign (resid  70 and name n) (resid  70 and name ca)
       (resid  70 and name c) (resid  71 and name n) 1.0 120.0 50.0 2
assign (resid  71 and name n) (resid  71 and name ca)
       (resid  71 and name c) (resid  72 and name n) 1.0 120.0 40.0 2
assign (resid  73 and name n) (resid  73 and name ca)
       (resid  73 and name c) (resid  74 and name n) 1.0 135.0 40.0 2
assign (resid  74 and name n) (resid  74 and name ca)
       (resid  74 and name c) (resid  75 and name n) 1.0 123.0 40.0 2
assign (resid  75 and name n) (resid  75 and name ca)
       (resid  75 and name c) (resid  76 and name n) 1.0 111.0 40.0 2
assign (resid  76 and name n) (resid  76 and name ca)
       (resid  76 and name c) (resid  77 and name n) 1.0 147.0 40.0 2
assign (resid  77 and name n) (resid  77 and name ca)
       (resid  77 and name c) (resid  78 and name n) 1.0 30.0 30.0 2
assign (resid  80 and name n) (resid  80 and name ca)
       (resid  80 and name c) (resid  81 and name n) 1.0 -45.0 30.0 2
assign (resid  81 and name n) (resid  81 and name ca)
       (resid  81 and name c) (resid  82 and name n) 1.0 -45.0 30.0 2
assign (resid  82 and name n) (resid  82 and name ca)
       (resid  82 and name c) (resid  83 and name n) 1.0 -51.0 30.0 2
assign (resid  83 and name n) (resid  83 and name ca)
       (resid  83 and name c) (resid  84 and name n) 1.0 -51.0 30.0 2 
assign (resid  84 and name n) (resid  84 and name ca)
       (resid  84 and name c) (resid  85 and name n) 1.0 -45.0 30.0 2
assign (resid  86 and name n) (resid  86 and name ca)
       (resid  86 and name c) (resid  87 and name n) 1.0 -45.0 30.0 2
assign (resid  87 and name n) (resid  87 and name ca)
       (resid  87 and name c) (resid  88 and name n) 1.0 -51.0 40.0 2
assign (resid  88 and name n) (resid  88 and name ca)
       (resid  88 and name c) (resid  89 and name n) 1.0  -15.0 50.0 2
assign (resid  91 and name n) (resid  91 and name ca)
       (resid  91 and name c) (resid  92 and name n) 1.0 -24.0 40.0 2
assign (resid  92 and name n) (resid  92 and name ca)
       (resid  92 and name c) (resid  93 and name n) 1.0 140.0 40.0 2
assign (resid  93 and name n) (resid  93 and name ca)
       (resid  93 and name c) (resid  94 and name n) 1.0 162.0 40.0 2
assign (resid  94 and name n) (resid  94 and name ca)
       (resid  94 and name c) (resid  95 and name n) 1.0 120.0 40.0 2
assign (resid  95 and name n) (resid  95 and name ca)
       (resid  95 and name c) (resid  96 and name n) 1.0 120.0 40.0 2
assign (resid  96 and name n) (resid  96 and name ca)
       (resid  96 and name c) (resid  97 and name n) 1.0 120.0 50.0 2
assign (resid  97 and name n) (resid  97 and name ca)
       (resid  97 and name c) (resid  98 and name n) 1.0 -36.0 40.0 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name c) (resid 101 and name n) 1.0 -36.0 40.0 2
assign (resid 101 and name n) (resid 101 and name ca)
       (resid 101 and name c) (resid 102 and name n) 1.0 -36.0 30.0 2
assign (resid 102 and name n) (resid 102 and name ca)
       (resid 102 and name c) (resid 103 and name n) 1.0 -54.0 30.0 2
assign (resid 103 and name n) (resid 103 and name ca)
       (resid 103 and name c) (resid 104 and name n) 1.0 -60.0 40.0 2
assign (resid 104 and name n) (resid 104 and name ca)
       (resid 104 and name c) (resid 105 and name n) 1.0 -39.0 30.0 2
assign (resid 105 and name n) (resid 105 and name ca)
       (resid 105 and name c) (resid 106 and name n) 1.0 -45.0 30.0 2
assign (resid 106 and name n) (resid 106 and name ca)
       (resid 106 and name c) (resid 107 and name n) 1.0  12.0 40.0 2
assign (resid 107 and name n) (resid 107 and name ca)
       (resid 107 and name c) (resid 108 and name n) 1.0 -30.0 50.0 2
assign (resid 109 and name n) (resid 109 and name ca)
       (resid 109 and name c) (resid 110 and name n) 1.0 33.0 50.0 2
assign (resid 110 and name n) (resid 110 and name ca)
       (resid 110 and name c) (resid 111 and name n) 1.0 140.0 50.0 2
assign (resid 111 and name n) (resid 111 and name ca)
       (resid 111 and name c) (resid 112 and name n) 1.0 -30.0 50.0 2
assign (resid 112 and name n) (resid 112 and name ca)
       (resid 112 and name c) (resid 113 and name n) 1.0 147.0 40.0 2
assign (resid 113 and name n) (resid 113 and name ca)
       (resid 113 and name c) (resid 114 and name n) 1.0 120.0 50.0 2
assign (resid 114 and name n) (resid 114 and name ca)
       (resid 114 and name c) (resid 115 and name n) 1.0 120.0 60.0 2
assign (resid 115 and name n) (resid 115 and name ca)
       (resid 115 and name c) (resid 116 and name n) 1.0 140.0 50.0 2
assign (resid 116 and name n) (resid 116 and name ca)
       (resid 116 and name c) (resid 117 and name n) 1.0 120.0 40.0 2
assign (resid 117 and name n) (resid 117 and name ca)
       (resid 117 and name c) (resid 118 and name n) 1.0 135.0 40.0 2
assign (resid 118 and name n) (resid 118 and name ca)
       (resid 118 and name c) (resid 119 and name n) 1.0 144.0 50.0 2
assign (resid 122 and name n) (resid 122 and name ca)
       (resid 122 and name c) (resid 123 and name n) 1.0 120.0 40.0 2
assign (resid 123 and name n) (resid 123 and name ca)
       (resid 123 and name c) (resid 124 and name n) 1.0 140.0 40.0 2
assign (resid 125 and name n) (resid 125 and name ca)
       (resid 125 and name c) (resid 126 and name n) 1.0 -30.0 40.0 2
assign (resid 126 and name n) (resid 126 and name ca)
       (resid 126 and name c) (resid 127 and name n) 1.0 135.0 50.0 2
assign (resid 127 and name n) (resid 127 and name ca)
       (resid 127 and name c) (resid 128 and name n) 1.0 140.0 40.0 2
assign (resid 131 and name n) (resid 131 and name ca) 
       (resid 131 and name c) (resid 132 and name n) 1.0 153.0 30.0 2
assign (resid 132 and name n) (resid 132 and name ca)
       (resid 132 and name c) (resid 133 and name n) 1.0 112.0 50.0 2
assign (resid 133 and name n) (resid 133 and name ca)
       (resid 133 and name c) (resid 134 and name n) 1.0 -30.0 40.0 2
assign (resid 134 and name n) (resid 134 and name ca)
       (resid 134 and name c) (resid 135 and name n) 1.0 -30.0 40.0 2
assign (resid 136 and name n) (resid 136 and name ca)
       (resid 136 and name c) (resid 137 and name n) 1.0 140.0 40.0 2
assign (resid 137 and name n) (resid 137 and name ca)
       (resid 137 and name c) (resid 138 and name n) 1.0 140.0 40.0 2
assign (resid 138 and name n) (resid 138 and name ca)
       (resid 138 and name c) (resid 139 and name n) 1.0 120.0 40.0 2
assign (resid 139 and name n) (resid 139 and name ca)
       (resid 139 and name c) (resid 140 and name n) 1.0 -60.0 40.0 2
assign (resid 140 and name n) (resid 140 and name ca)
       (resid 140 and name c) (resid 141 and name n) 1.0 158.0 40.0 2
assign (resid 141 and name n) (resid 141 and name ca)
       (resid 141 and name c) (resid 142 and name n) 1.0 120.0 40.0 2
assign (resid 142 and name n) (resid 142 and name ca)
       (resid 142 and name c) (resid 143 and name n) 1.0 120.0 40.0 2
assign (resid 144 and name n) (resid 144 and name ca)
       (resid 144 and name c) (resid 145 and name n) 1.0 140.0 40.0 2
assign (resid 145 and name n) (resid 145 and name ca)
       (resid 145 and name c) (resid 146 and name n) 1.0 120.0 40.0 2
assign (resid 146 and name n) (resid 146 and name ca)
       (resid 146 and name c) (resid 147 and name n) 1.0 140.0 60.0 2
assign (resid 147 and name n) (resid 147 and name ca)
       (resid 147 and name c) (resid 148 and name n) 1.0 -45.0 30.0 2
assign (resid 148 and name n) (resid 148 and name ca)
       (resid 148 and name c) (resid 149 and name n) 1.0 140.0 40.0 2
assign (resid 150 and name n) (resid 150 and name ca)
       (resid 150 and name c) (resid 151 and name n) 1.0 -21.0 40.0 2
assign (resid 151 and name n) (resid 151 and name ca)
       (resid 151 and name c) (resid 152 and name n) 1.0   3.0 30.0 2
assign (resid 152 and name n) (resid 152 and name ca)
       (resid 152 and name c) (resid 153 and name n) 1.0 120.0 40.0 2
assign (resid 153 and name n) (resid 153 and name ca)
       (resid 153 and name c) (resid 154 and name n) 1.0 155.0 40.0 2
assign (resid 154 and name n) (resid 154 and name ca)
       (resid 154 and name c) (resid 155 and name n) 1.0 120.0 40.0 2 
assign (resid 155 and name n) (resid 155 and name ca)
       (resid 155 and name c) (resid 156 and name n) 1.0 120.0 50.0 2 
assign (resid 156 and name n) (resid 156 and name ca)
       (resid 156 and name c) (resid 157 and name n) 1.0 120.0 30.0 2 
assign (resid 158 and name n) (resid 158 and name ca)
       (resid 158 and name c) (resid 159 and name n) 1.0 140.0 40.0 2
assign (resid 159 and name n) (resid 159 and name ca)
       (resid 159 and name c) (resid 160 and name n) 1.0 140.0 40.0 2
assign (resid 160 and name n) (resid 160 and name ca)
       (resid 160 and name c) (resid 161 and name n) 1.0 120.0 30.0 2
assign (resid 161 and name n) (resid 161 and name ca)
       (resid 161 and name c) (resid 162 and name n) 1.0 140.0 50.0 2
! Chi-1 restraints   (87)
assign (resid   3 and name n)  (resid   3 and name ca)
       (resid   3 and name cb) (resid   3 and name cg) 1.0 -93.0 30.0 2
assign (resid   4 and name n)  (resid   4 and name ca)
       (resid   4 and name cb) (resid   4 and name cg) 1.0 180.0 40.0 2
assign (resid   5 and name n)  (resid   5 and name ca)
       (resid   5 and name cb) (resid   5 and name cg) 1.0 75.0 30.0 2 
assign (resid   7 and name n)  (resid   7 and name ca)
       (resid   7 and name cb) (resid   7 and name cg) 1.0 60.0 30.0 2
assign (resid   8 and name n)  (resid   8 and name ca)
       (resid   8 and name cb) (resid   8 and name cg) 1.0 60.0 30.0 2 
assign (resid   9 and name n)  (resid   9 and name ca)
       (resid   9 and name cb) (resid   9 and name cg) 1.0 60.0 30.0 2 
assign (resid  10 and name n)  (resid  10 and name ca)
       (resid  10 and name cb) (resid  10 and name cg) 1.0 -75.0 30.0 2
assign (resid  12 and name n)  (resid  12 and name ca)
       (resid  12 and name cb) (resid  12 and name cg) 1.0 180.0 40.0 2
assign (resid  13 and name n)  (resid  13 and name ca)
       (resid  13 and name cb) (resid  13 and name cg1) 1.0 60.0 30.0 2
assign (resid  15 and name n)  (resid  15 and name ca)
       (resid  15 and name cb) (resid  15 and name cg) 1.0 180.0 30.0 2
assign (resid  16 and name n)  (resid  16 and name ca)
       (resid  16 and name cb) (resid  16 and name cg) 1.0 -75.0 40.0 2
assign (resid  18 and name n)  (resid  18 and name ca)
       (resid  18 and name cb) (resid  18 and name cg) 1.0 60.0 30.0 2
assign (resid  19 and name n)  (resid  19 and name ca)
       (resid  19 and name cb) (resid  19 and name cg) 1.0 -60.0 40.0 2
assign (resid  21 and name n)  (resid  21 and name ca)
       (resid  21 and name cb) (resid  21 and name cg) 1.0 60.0 30.0 2
assign (resid  22 and name n)  (resid  22 and name ca)
       (resid  22 and name cb) (resid  22 and name cg) 1.0 180.0 30.0 2
assign (resid  23 and name n)  (resid  23 and name ca)
       (resid  23 and name cb) (resid  23 and name cg) 1.0 180.0 40.0 2
assign (resid  25 and name n)  (resid  25 and name ca)
       (resid  25 and name cb) (resid  25 and name cg) 1.0 180.0 40.0 2
assign (resid  26 and name n)  (resid  26 and name ca)
       (resid  26 and name cb) (resid  26 and name cg) 1.0 180.0 30.0 2
assign (resid  27 and name n)  (resid  27 and name ca)
       (resid  27 and name cb) (resid  27 and name cg) 1.0 -75.0 30.0 2 
assign (resid  28 and name n)  (resid  28 and name ca)
       (resid  28 and name cb) (resid  28 and name cg) 1.0 -60.0 40.0 2
assign (resid  29 and name n)  (resid  29 and name ca)
       (resid  29 and name cb) (resid  29 and name cg) 1.0 180.0 30.0 2
assign (resid  30 and name n)  (resid  30 and name ca)
       (resid  30 and name cb) (resid  30 and name cg) 1.0 180.0 30.0 2
assign (resid  31 and name n)  (resid  31 and name ca)
       (resid  31 and name cb) (resid  31 and name cg) 1.0 180.0 40.0 2
assign (resid  33 and name n)  (resid  33 and name ca)
       (resid  33 and name cb) (resid  33 and name cg) 1.0 -75.0 30.0 2
assign (resid  34 and name n)  (resid  34 and name ca)
       (resid  34 and name cb) (resid  34 and name og1) 1.0 60.0 30.0 2
assign (resid  35 and name n)  (resid  35 and name ca)
       (resid  35 and name cb) (resid  35 and name cg1) 1.0 -60.0  30.0 2 
assign (resid  37 and name n)  (resid  37 and name ca)
       (resid  37 and name cb) (resid  37 and name cg)  1.0 -60.0 40.0 2
assign (resid  38 and name n)  (resid  38 and name ca)
       (resid  38 and name cb) (resid  38 and name cg1) 1.0 -60.0 30.0 2
assign (resid  39 and name n)  (resid  39 and name ca)
       (resid  39 and name cb) (resid  39 and name cg) 1.0 180.0 30.0 2 
assign (resid  40 and name n)  (resid  40 and name ca)
       (resid  40 and name cb) (resid  40 and name cg1) 1.0 180.0 30.0 2
assign (resid  41 and name n)  (resid  41 and name ca)
       (resid  41 and name cb) (resid  41 and name cg1) 1.0 -60.0  30.0 2 
assign (resid  43 and name n)  (resid  43 and name ca)
       (resid  43 and name cb) (resid  43 and name cg)  1.0 180.0  30.0 2 
assign (resid  45 and name n)  (resid  45 and name ca)
       (resid  45 and name cb) (resid  45 and name og1) 1.0 -63.0 30.0 2
assign (resid  46 and name n)  (resid  46 and name ca)
       (resid  46 and name cb) (resid  46 and name cg)  1.0 180.0 30.0 2
assign (resid  47 and name n)  (resid  47 and name ca)
       (resid  47 and name cb) (resid  47 and name cg) 1.0 -66.0 30.0 2
assign (resid  54 and name n)  (resid  54 and name ca)
       (resid  54 and name cb) (resid  54 and name cg) 1.0 -60.0 30.0 2
assign (resid  56 and name n)  (resid  56 and name ca)
       (resid  56 and name cb) (resid  56 and name cg) 1.0 -60.0 40.0 2 
assign (resid  57 and name n)  (resid  57 and name ca)
       (resid  57 and name cb) (resid  57 and name cg) 1.0  -60.0 40.0 2 
assign (resid  58 and name n)  (resid  58 and name ca)
       (resid  58 and name cb) (resid  58 and name og1) 1.0 -60.0 40.0 2 
assign (resid  59 and name n)  (resid  59 and name ca)
       (resid  59 and name cb) (resid  59 and name cg) 1.0 -60.0 40.0 2
assign (resid  60 and name n)  (resid  60 and name ca)
       (resid  60 and name cb) (resid  60 and name cg1) 1.0 180.0 30.0 2 
assign (resid  61 and name n)  (resid  61 and name ca)
       (resid  61 and name cb) (resid  61 and name cg1) 1.0 180.0 30.0 2 
assign (resid  68 and name n)  (resid  68 and name ca)
       (resid  68 and name cb) (resid  68 and name cg) 1.0 180.0 40.0 2
assign (resid  69 and name n)  (resid  69 and name ca)
       (resid  69 and name cb) (resid  69 and name cg) 1.0 -60.0 40.0 2
assign (resid  71 and name n)  (resid  71 and name ca)
       (resid  71 and name cb) (resid  71 and name cg)  1.0 -60.0 30.0 2
assign (resid  74 and name n)  (resid  74 and name ca)
       (resid  74 and name cb) (resid  74 and name cg1) 1.0 180.0 30.0 2
assign (resid  75 and name n)  (resid  75 and name ca)
       (resid  75 and name cb) (resid  75 and name cg1) 1.0 180.0 30.0 2 
assign (resid  76 and name n)  (resid  76 and name ca)
       (resid  76 and name cb) (resid  76 and name cg1) 1.0 -60.0 30.0 2 
assign (resid  77 and name n)  (resid  77 and name ca)
       (resid  77 and name cb) (resid  77 and name cg) 1.0 -60.0 30.0 2
assign (resid  79 and name n)  (resid  79 and name ca)
       (resid  79 and name cb) (resid  79 and name cg1) 1.0 180.0 30.0 2 
assign (resid  82 and name n)  (resid  82 and name ca)
       (resid  82 and name cb) (resid  82 and name cg1) 1.0 180.0 40.0 2 
assign (resid  83 and name n)  (resid  83 and name ca)
       (resid  83 and name cb) (resid  83 and name cg) 1.0 -60.0 30.0 2
assign (resid  85 and name n)  (resid  85 and name ca)
       (resid  85 and name cb) (resid  85 and name cg) 1.0 180.0 30.0 2
assign (resid  89 and name n)  (resid  89 and name ca)
       (resid  89 and name cb) (resid  89 and name cg) 1.0 -66.0 30.0 2
assign (resid  93 and name n)  (resid  93 and name ca)
       (resid  93 and name cb) (resid  93 and name cg)  1.0 -60.0 30.0 2
assign (resid  94 and name n)  (resid  94 and name ca)
       (resid  94 and name cb) (resid  94 and name cg)  1.0 180.0 40.0 2
assign (resid  95 and name n)  (resid  95 and name ca)
       (resid  95 and name cb) (resid  95 and name cg1) 1.0 180.0 30.0 2
assign (resid  96 and name n)  (resid  96 and name ca)
       (resid  96 and name cb) (resid  96 and name cg1) 1.0 -60.0 30.0 2
assign (resid 103 and name n)  (resid 103 and name ca)
       (resid 103 and name cb) (resid 103 and name cg) 1.0 -60.0 30.0 2
assign (resid 108 and name n)  (resid 108 and name ca)
       (resid 108 and name cb) (resid 108 and name cg) 1.0 180.0 40.0 2
assign (resid 112 and name n)  (resid 112 and name ca)
       (resid 112 and name cb) (resid 112 and name og1) 1.0 -60.0 40.0 2
assign (resid 113 and name n)  (resid 113 and name ca)
       (resid 113 and name cb) (resid 113 and name cg) 1.0 -60.0 30.0 2
assign (resid 114 and name n)  (resid 114 and name ca)
       (resid 114 and name cb) (resid 114 and name cg) 1.0 -60.0 30.0 2
assign (resid 116 and name n)  (resid 116 and name ca)
       (resid 116 and name cb) (resid 116 and name og1) 1.0 -39.0 30.0 2
assign (resid 118 and name n)  (resid 118 and name ca)
       (resid 118 and name cb) (resid 118 and name cg) 1.0 -80.0 30.0 2
assign (resid 122 and name n)  (resid 122 and name ca)
       (resid 122 and name cb) (resid 122 and name cg) 1.0 -60.0 30.0 2
assign (resid 126 and name n)  (resid 126 and name ca)
       (resid 126 and name cb) (resid 126 and name og1) 1.0 -60.0 30.0 2
assign (resid 127 and name n)  (resid 127 and name ca)
       (resid 127 and name cb) (resid 127 and name cg) 1.0 -60.0 30.0 2
assign (resid 128 and name n)  (resid 128 and name ca)
       (resid 128 and name cb) (resid 128 and name cg) 1.0 180.0 40.0 2
assign (resid 129 and name n)  (resid 129 and name ca)
       (resid 129 and name cb) (resid 129 and name cg1) 1.0 63.0 30.0 2
assign (resid 131 and name n)  (resid 131 and name ca)
       (resid 131 and name cb) (resid 131 and name cg) 1.0 -75.0 30.0 2
assign (resid 133 and name n)  (resid 133 and name ca)
       (resid 133 and name cb) (resid 133 and name cg) 1.0 -60.0 30.0 2
assign (resid 136 and name n)  (resid 136 and name ca)
       (resid 136 and name cb) (resid 136 and name cg) 1.0 -60.0 30.0 2
assign (resid 137 and name n)  (resid 137 and name ca)
       (resid 137 and name cb) (resid 137 and name og1) 1.0 -60.0 30.0 2
assign (resid 138 and name n)  (resid 138 and name ca)
       (resid 138 and name cb) (resid 138 and name cg) 1.0 -165.0 30.0 2
assign (resid 139 and name n)  (resid 139 and name ca)
       (resid 139 and name cb) (resid 139 and name cg1) 1.0 -60.0 40.0 2
assign (resid 142 and name n)  (resid 142 and name ca)
       (resid 142 and name cb) (resid 142 and name cg) 1.0 180.0 40.0 2
assign (resid 143 and name n)  (resid 143 and name ca)
       (resid 143 and name cb) (resid 143 and name og1) 1.0 -60.0 40.0 2
assign (resid 147 and name n)  (resid 147 and name ca)
       (resid 147 and name cb) (resid 147 and name og1) 1.0 60.0 30.0 2
assign (resid 151 and name n)  (resid 151 and name ca)
       (resid 151 and name cb) (resid 151 and name cg) 1.0 -60.0 30.0 2
assign (resid 153 and name n)  (resid 153 and name ca)
       (resid 153 and name cb) (resid 153 and name cg) 1.0 60.0 30.0 2
assign (resid 155 and name n)  (resid 155 and name ca)
       (resid 155 and name cb) (resid 155 and name cg) 1.0 -60.0 30.0 2
assign (resid 156 and name n)  (resid 156 and name ca)
       (resid 156 and name cb) (resid 156 and name cg) 1.0 -60.0 30.0 2
assign (resid 157 and name n)  (resid 157 and name ca)
       (resid 157 and name cb) (resid 157 and name cg1) 1.0 180.0 30.0 2
assign (resid 158 and name n)  (resid 158 and name ca)
       (resid 158 and name cb) (resid 158 and name cg) 1.0 -60.0 30.0 2
assign (resid 159 and name n)  (resid 159 and name ca)
       (resid 159 and name cb) (resid 159 and name cg) 1.0 -60.0 30.0 2
assign (resid 160 and name n)  (resid 160 and name ca)
       (resid 160 and name cb) (resid 160 and name cg) 1.0 180.0 30.0 2
!Chi-2 constraints
assign (resid  19 and name ca)  (resid  19 and name cb)
       (resid  19 and name cg)  (resid  19 and name cd1) 1.0 180.0 40.0 2
assign (resid 102 and name ca)  (resid 102 and name cb)
       (resid 102 and name cg1) (resid 102 and name cd1) 1.0 -60.0 40.0 2
!Chi-3 constraints
assign (resid  43 and name cb)  (resid  43 and name cg)
       (resid  43 and name cd)  (resid  43 and name ne ) 1.0   0.0 90.0 2
!Constraints to specify planarity of the drug
assign (resid 170 and name cw5) (resid 170 and name o15)
       (resid 170 and name c15) (resid 170 and name c14)  1.0 180.0 20.0 2
assign (resid 170 and name cw3) (resid 170 and name o13)
       (resid 170 and name c13) (resid 170 and name c14)  1.0 180.0 20.0 2
! Constraints below are included at the very last stage of refinement 
! Constraints to specifiy geometry TMP/Asp-26 interaction
! Polshakov et al., Theochem - J. Mol. Struct., 357, 207-217(1995)
assign (resid  26 and name od2) (resid  26 and name cg )
       (resid  26 and name od1) (resid 170 and name n1 )  1.0   0.0 30.0 2
assign (resid  26 and name od1) (resid  26 and name cg )
       (resid  26 and name od2) (resid 170 and name n2 )  1.0   0.0 30.0 2
assign (resid 170 and name n2 ) (resid 170 and name c2 )
       (resid 170 and name n1 ) (resid  26 and name od1)  1.0   0.0 30.0 2
assign (resid 170 and name n1 ) (resid 170 and name c2 )
       (resid 170 and name n2 ) (resid  26 and name od2)  1.0   0.0 30.0 2
! Constraints to specify orientation of phosphate groups
! Gerothanassis et al., Eur.J.Biochem.,204,173-177(1992)
assign (resid 168 and name pa  ) (resid 168 and name o5'a)
       (resid 168 and name c5'a) (resid 168 and name c4'a) 1.0 180.0 20.0 2
assign (resid 168 and name pn  ) (resid 168 and name o5'n)
       (resid 168 and name c5'n) (resid 168 and name c4'n) 1.0 120.0 20.0 2
!
!
! Residual dipolar couplings measured in 5% DMPC/DHPC (3:1)
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )  -0.42  0.68

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  7.02  0.48

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  11.58  1.20

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  5.09  0.66

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  0.53  0.76

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  1.87  0.38

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  -5.97 0.62

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  -6.26 0.43

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  16.70 0.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  -9.77 1.03

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  -13.28 0.79

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  -10.58 0.69

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  -15.09 0.65

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  -9.59 1.36

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  -2.95 0.58

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  -14.44 2.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  11.60  0.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )  16.50  2.12

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  17.01  3.14

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  12.80  0.60

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  10.04  0.65

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  ) 7.84  0.38

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  6.40  0.56

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  12.52  0.53

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  13.15  0.35

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  3.60  0.62

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  1.10  0.46

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  17.78  0.41

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -1.28  0.55

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  6.91  0.54

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  -3.11  0.52

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  7.69  0.32

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  15.23  0.33

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  17.39  0.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )   0.96  0.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -9.86  0.52

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -3.03  0.58

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -5.87  0.43

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  -4.07  0.64

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  10.50  0.48

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  2.80  0.41

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  -11.56  0.75

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )  7.81  0.89

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )  4.00  0.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  3.55  0.68

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  15.34  0.52

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  12.63  0.43

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )  17.89  0.75

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )  10.07  0.57

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N   )
       ( resid 64   and name HN  )  8.17  0.75

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )  10.13  0.59

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )  -6.54  0.33

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  -0.90  0.51

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N   )
       ( resid 70   and name HN  )  10.58  0.32

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )  14.28  0.73

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )  3.15  0.61

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )  16.32  0.44

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )  9.38  0.26

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )  17.43  0.38

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )  10.31  0.55

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N   )
       ( resid 78   and name HN  )  -15.21  0.24

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )  -10.27  0.42

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )  -8.35  0.44

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )  -13.68  0.97

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )  -15.08  0.60

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )  -7.13  1.34

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 86   and name N   )
       ( resid 86   and name HN  )  -14.50  0.64

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 87   and name N   )
       ( resid 87   and name HN  )  -10.80  0.55

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 88   and name N   )
       ( resid 88   and name HN  )  -4.97  0.51

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )  -13.36  0.34

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 91   and name N   )
       ( resid 91   and name HN  )  9.58  0.63

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )  6.92  0.36

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 93   and name N   )
       ( resid 93   and name HN  )  15.58  0.47

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )  -3.70  0.35

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 95   and name N   )
       ( resid 95   and name HN  )  3.85  0.63

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 96   and name N   )
       ( resid 96   and name HN  )  4.37  0.49

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 97   and name N   )
       ( resid 97   and name HN  )  14.34  0.58

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 98   and name N   )
       ( resid 98   and name HN  )  7.33  0.62

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 99   and name N   )
       ( resid 99   and name HN  )  9.84  0.46

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 100  and name N   )
       ( resid 100  and name HN  )  -0.04  0.59

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 101  and name N   )
       ( resid 101  and name HN  )  -3.71  0.79

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 102  and name N   )
       ( resid 102  and name HN  )  -1.09  0.37

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )  2.82  0.42

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 104  and name N   )
       ( resid 104  and name HN  )  -2.87  0.48

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  -5.38  0.41

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 106  and name N   )
       ( resid 106  and name HN  )  5.58  0.34

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 107  and name N   )
       ( resid 107  and name HN  )  -3.36  0.48

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 108  and name N   )
       ( resid 108  and name HN  )  8.90  1.39

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  )  -0.42  0.64

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 110  and name N   )
       ( resid 110  and name HN  )  -11.11  0.54

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 111  and name N   )
       ( resid 111  and name HN  )  -5.79  0.73

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 112  and name N   )
       ( resid 112  and name HN  )  8.86  0.42

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 113  and name N   )
       ( resid 113  and name HN  )  5.84  0.58

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 114  and name N   )
       ( resid 114  and name HN  )  10.29  0.73

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 115  and name N   )
       ( resid 115  and name HN  )  3.10  0.46

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 116  and name N   )
       ( resid 116  and name HN  )  7.93  1.51

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 118  and name N   )
       ( resid 118  and name HN  )  3.63  0.76

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 120  and name N   )
       ( resid 120  and name HN  )  -10.17  0.40

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 121  and name N   )
       ( resid 121  and name HN  )  10.34  0.27

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 122  and name N   )
       ( resid 122  and name HN  )  4.44  0.61

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 123  and name N   )
       ( resid 123  and name HN  )  -9.02  0.38

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 125  and name N   )
       ( resid 125  and name HN  )  -11.90  0.93

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 126  and name N   )
       ( resid 126  and name HN  )  -5.47  0.41

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 127  and name N   )
       ( resid 127  and name HN  )  -3.42  1.07

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 129  and name N   )
       ( resid 129  and name HN  )  -8.47  0.71

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 131  and name N   )
       ( resid 131  and name HN  )  14.13  0.53

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 132  and name N   )
       ( resid 132  and name HN  )  11.80  0.34

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 133  and name N   )
       ( resid 133  and name HN  )  -3.95  0.53

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 134  and name N   )
       ( resid 134  and name HN  )  -9.42  0.44

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 135  and name N   )
       ( resid 135  and name HN  )  -0.78  0.58

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 136  and name N   )
       ( resid 136  and name HN  )  2.01  0.61

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 137  and name N   )
       ( resid 137  and name HN  )  7.11  0.58

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 138  and name N   )
       ( resid 138  and name HN  )  0.12  0.46

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 139  and name N   )
       ( resid 139  and name HN  )  12.36  0.39

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 140  and name N   )
       ( resid 140  and name HN  )  -3.96  0.41

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 141  and name N   )
       ( resid 141  and name HN  )  -2.67  0.40

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 142  and name N   )
       ( resid 142  and name HN  )  4.49  1.30

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 143  and name N   )
       ( resid 143  and name HN  )  3.37  1.52

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 144  and name N   )
       ( resid 144  and name HN  )  -7.85  0.43

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 145  and name N   )
       ( resid 145  and name HN  )  -9.57  0.49

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 146  and name N   )
       ( resid 146  and name HN  )  -11.18  0.65

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 147  and name N   )
       ( resid 147  and name HN  )  -0.23  0.40

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 148  and name N   )
       ( resid 148  and name HN  )  10.52  0.50

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 150  and name N   )
       ( resid 150  and name HN  )  -2.12  0.37

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 151  and name N   )
       ( resid 151  and name HN  )  8.06  0.33

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 152  and name N   )
       ( resid 152  and name HN  )  2.81  0.43

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 153  and name N   )
       ( resid 153  and name HN  )  -13.69  0.65

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 154  and name N   )
       ( resid 154  and name HN  )  -11.45  0.56

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 155  and name N   )
       ( resid 155  and name HN  )  0.15  0.41

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 156  and name N   )
       ( resid 156  and name HN  )  2.84  0.56

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 157  and name N   )
       ( resid 157  and name HN  )  12.08  0.47

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 158  and name N   )
       ( resid 158  and name HN  )  8.22  0.72

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 160  and name N   )
       ( resid 160  and name HN  )  5.02  0.55

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 161  and name N   )
       ( resid 161  and name HN  )  -7.23  0.72

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 162  and name N   )
       ( resid 162  and name HN  )  1.69  0.81


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid   9  and name NE  )
       ( resid   9  and name HE  )  -2.16 1.07

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  31  and name NE  )
       ( resid  31  and name HE  )  -0.28 1.44

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  43  and name NE  )
       ( resid  43  and name HE  )  1.34 1.09

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  52  and name NE  )
       ( resid  52  and name HE  )  11.50 0.66

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid  57  and name NE  )
       ( resid  57  and name HE  )  -1.14 1.01

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 117  and name NE  )
       ( resid 117  and name HE  )  -5.92 1.11
!
! Residual dipolar couplings measured in 5% solution of C12E5 in hehanol
assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  -15.73  0.96

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  -15.87  2.17

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  -0.87  2.42

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  -1.80  3.26

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  -1.12  2.92

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )   7.27  1.22

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )   12.05  1.57

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )   13.41  2.68

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )   4.56  1.53

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  -4.20  3.33

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )   -0.10  3.5

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )   -3.65  2.59

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  -7.48  1.89

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  2.26  2.41

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -0.61  2.71

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -8.77  2.97

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -0.75  3.18

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )    -6.77  2.11

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )   -7.39  1.26

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )   9.98  2.12


assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )  -15.22  1.34

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )  -16.52  1.83

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )  -10.23  1.18

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )   -2.42  1.70

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )   -5.55  3.86

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )   4.57  1.53

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )  5.05  2.22

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 73   and name N   )
       ( resid 73   and name HN  )   -8.52  2.66

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )   -14.32  1.11

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )   -3.66  1.30

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )   -6.20  2.30

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 78   and name N   )
       ( resid 78   and name HN  )   18.10  1.44

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )   17.72  2.43

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 80   and name N   )
       ( resid 80   and name HN  )   10.57  1.50

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )   10.06  1.00

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )   19.39  1.21

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 86   and name N   )
       ( resid 86   and name HN  )   18.66  1.60

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 87   and name N   )
       ( resid 87   and name HN  )   12.02  1.00

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 88   and name N   )
       ( resid 88   and name HN  )   6.28  1.33

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 91   and name N   )
       ( resid 91   and name HN  )   -11.67  2.60

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )   -3.36  2.33

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )   -8.01  1.49

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 97   and name N   )
       ( resid 97   and name HN  )   -12.66  2.21

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 102  and name N   )
       ( resid 102  and name HN  )    1.06  2.33

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 103  and name N   )
       ( resid 103  and name HN  )    -0.74  2.30

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 104  and name N   )
       ( resid 104  and name HN  )   -8.70  3.08

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 105  and name N   )
       ( resid 105  and name HN  )  -3.49  1.83

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 107  and name N   )
       ( resid 107  and name HN  )  -1.01  2.12

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 108  and name N   )
       ( resid 108  and name HN  )  -13.39  1.20

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 109  and name N   )
       ( resid 109  and name HN  )  -8.93  1.94

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 112  and name N   )
       ( resid 112  and name HN  )   -14.84  1.72

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 114  and name N   )
       ( resid 114  and name HN  )   -13.50  3.04

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 115  and name N   )
       ( resid 115  and name HN  )   -11.54  2.53

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 118  and name N   )
       ( resid 118  and name HN  )   -1.26  2.23

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 119  and name N   )
       ( resid 119  and name HN  )    19.41  1.50

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 120  and name N   )
       ( resid 120  and name HN  )    12.15  1.39

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 121  and name N   )
       ( resid 121  and name HN  )    -4.63  1.86

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 122  and name N   )
       ( resid 122  and name HN  )    -1.13  2.88

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 124  and name N   )
       ( resid 124  and name HN  )   10.70  1.51

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 125  and name N   )
       ( resid 125  and name HN  )    15.06  1.91

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 126  and name N   )
       ( resid 126  and name HN  )   5.48  2.54

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 127  and name N   )
       ( resid 127  and name HN  )   8.29  1.74

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 128  and name N   )
       ( resid 128  and name HN  )   -13.93  1.48

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 129  and name N   )
       ( resid 129  and name HN  )   11.80  3.03

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 131  and name N   )
       ( resid 131  and name HN  )   -7.40  2.09

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 132  and name N   )
       ( resid 132  and name HN  )   -7.07  2.36

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 133  and name N   )
       ( resid 133  and name HN  )    4.93  3.11

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 135  and name N   )
       ( resid 135  and name HN  )   -5.45  2.28 

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 136  and name N   )
       ( resid 136  and name HN  )   7.92  1.30

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 137  and name N   )
       ( resid 137  and name HN  )  -4.37  2.66

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 138  and name N   )
       ( resid 138  and name HN  )   3.34  1.85

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 140  and name N   )
       ( resid 140  and name HN  )   4.96  1.95

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 142  and name N   )
       ( resid 142  and name HN  )   -7.76  1.94

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 143  and name N   )
       ( resid 143  and name HN  )   -4.18  3.23

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 144  and name N   )
       ( resid 144  and name HN  )    9.31  1.28

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 146  and name N   )
       ( resid 146  and name HN  )   13.12  1.20 

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 147  and name N   )
       ( resid 147  and name HN  )   1.90  2.32

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 148  and name N   )
       ( resid 148  and name HN  )  -2.58  2.52

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 151  and name N   )
       ( resid 151  and name HN  )  -4.35  2.73

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 152  and name N   )
       ( resid 152  and name HN  )   6.20  1.97

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 153  and name N   )
       ( resid 153  and name HN  )   16.25  1.82

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 155  and name N   )
       ( resid 155  and name HN  )  0.24  2.36

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 156  and name N   )
       ( resid 156  and name HN  )  -6.32  1.84

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 157  and name N   )
       ( resid 157  and name HN  )  -14.30  1.64

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 158  and name N   )
       ( resid 158  and name HN  )  -16.28  2.69

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 159  and name N   )
       ( resid 159  and name HN  )   -10.07  1.49

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 160  and name N   )
       ( resid 160  and name HN  )   -8.00  2.55

assign ( resid 501  and name OO  )
       ( resid 501  and name Z   )
       ( resid 501  and name X   )
       ( resid 501  and name Y   )
       ( resid 162  and name N   )
       ( resid 162  and name HN  )   -0.13  1.23
!
! 3-bond HN,Ha coupling constants measured in HNHA experiment
assign (resid   1 and name c )  (resid   2 and name n )
       (resid   2 and name ca)  (resid   2 and name c ) 10.00 2.00 !XEASY peaks 2/3
assign (resid   2 and name c )  (resid   3 and name n )
       (resid   3 and name ca)  (resid   3 and name c )  9.89 2.00 !XEASY peaks 139/140
assign (resid   3 and name c )  (resid   4 and name n )
       (resid   4 and name ca)  (resid   4 and name c )  9.50 3.00 !XEASY peaks 74/75
assign (resid   4 and name c )  (resid   5 and name n )
       (resid   5 and name ca)  (resid   5 and name c ) 10.00 3.00 !XEASY peaks 16/17
assign (resid   5 and name c )  (resid   6 and name n )
       (resid   6 and name ca)  (resid   6 and name c )  8.99 3.00 !XEASY peaks 88/89
assign (resid   6 and name c )  (resid   7 and name n )
       (resid   7 and name ca)  (resid   7 and name c )  8.96 3.00 !XEASY peaks 248/249
assign (resid  12 and name c )  (resid  13 and name n )
       (resid  13 and name ca)  (resid  13 and name c ) 10.00 2.00 !XEASY peaks 266/267
assign (resid  14 and name c )  (resid  15 and name n )
       (resid  15 and name ca)  (resid  15 and name c ) 10.00 2.00 !XEASY peaks 124/125
assign (resid  15 and name c )  (resid  16 and name n )
       (resid  16 and name ca)  (resid  16 and name c )  7.10 2.00 !XEASY peaks 8/9
assign (resid  20 and name c )  (resid  21 and name n )
       (resid  21 and name ca)  (resid  21 and name c )  9.47 2.00 !XEASY peaks 278/279
assign (resid  28 and name c )  (resid  29 and name n )
       (resid  29 and name ca)  (resid  29 and name c )  4.15 2.00 !XEASY peaks 82/83
assign (resid  30 and name c )  (resid  31 and name n )
       (resid  31 and name ca)  (resid  31 and name c )  4.72 3.00 !XEASY peaks 150/152
assign (resid  33 and name c )  (resid  34 and name n )
       (resid  34 and name ca)  (resid  34 and name c ) 10.00 2.00 !XEASY peaks 291/292
assign (resid  36 and name c )  (resid  37 and name n )
       (resid  37 and name ca)  (resid  37 and name c ) 10.00 2.00 !XEASY peaks 163/164
assign (resid  38 and name c )  (resid  39 and name n )
       (resid  39 and name ca)  (resid  39 and name c )  9.17 3.00 !XEASY peaks 21/22
assign (resid  40 and name c )  (resid  41 and name n )
       (resid  41 and name ca)  (resid  41 and name c ) 10.00 2.00 !XEASY peaks 171/172
assign (resid  43 and name c )  (resid  44 and name n )
       (resid  44 and name ca)  (resid  44 and name c )  6.47 2.00 !XEASY peaks 256/257
assign (resid  44 and name c )  (resid  45 and name n )
       (resid  45 and name ca)  (resid  45 and name c )  5.82 2.00 !XEASY peaks 169/170
assign (resid  50 and name c )  (resid  51 and name n )
       (resid  51 and name ca)  (resid  51 and name c ) 10.00 2.00 !XEASY peaks 220/221
assign (resid  51 and name c )  (resid  52 and name n )
       (resid  52 and name ca)  (resid  52 and name c )  9.46 2.00 !XEASY peaks 147/148
assign (resid  58 and name c )  (resid  59 and name n )
       (resid  59 and name ca)  (resid  59 and name c )  9.26 2.00 !XEASY peaks 42/43
assign (resid  59 and name c )  (resid  60 and name n )
       (resid  60 and name ca)  (resid  60 and name c ) 10.00 3.00 !XEASY peaks 58/59
assign (resid  60 and name c )  (resid  61 and name n )
       (resid  61 and name ca)  (resid  61 and name c ) 10.00 2.00 !XEASY peaks 60/61
assign (resid  61 and name c )  (resid  62 and name n )
       (resid  62 and name ca)  (resid  62 and name c ) 10.00 2.00 !XEASY peaks 46/47
assign (resid  62 and name c )  (resid  63 and name n )
       (resid  63 and name ca)  (resid  63 and name c )  8.10 2.00 !XEASY peaks 214/215
assign (resid  63 and name c )  (resid  64 and name n )
       (resid  64 and name ca)  (resid  64 and name c )  8.73 2.00 !XEASY peaks 33/37
assign (resid  67 and name c )  (resid  68 and name n )
       (resid  68 and name ca)  (resid  68 and name c )  4.05 2.00 !XEASY peaks 137/138
assign (resid  68 and name c )  (resid  69 and name n )
       (resid  69 and name ca)  (resid  69 and name c )  8.79 2.00 !XEASY peaks 52/53
assign (resid  72 and name c )  (resid  73 and name n )
       (resid  73 and name ca)  (resid  73 and name c ) 10.00 2.00 !XEASY peaks 100/101
assign (resid  76 and name c )  (resid  77 and name n )
       (resid  77 and name ca)  (resid  77 and name c )  8.95 2.00 !XEASY peaks 252/253
assign (resid  77 and name c )  (resid  78 and name n )
       (resid  78 and name ca)  (resid  78 and name c )  6.50 2.00 !XEASY peaks 250/251
assign (resid  79 and name c )  (resid  80 and name n )
       (resid  80 and name ca)  (resid  80 and name c )  3.74 2.00 !XEASY peaks 120/121
assign (resid  80 and name c )  (resid  81 and name n )
       (resid  81 and name ca)  (resid  81 and name c )  4.85 2.00 !XEASY peaks 143/144
assign (resid  86 and name c )  (resid  87 and name n )
       (resid  87 and name ca)  (resid  87 and name c )  4.44 2.00 !XEASY peaks 216/217
assign (resid  90 and name c )  (resid  91 and name n )
       (resid  91 and name ca)  (resid  91 and name c )  9.35 2.00 !XEASY peaks 232/233
assign (resid  91 and name c )  (resid  92 and name n )
       (resid  92 and name ca)  (resid  92 and name c )  9.04 3.00 !XEASY peaks 189/192
assign (resid  93 and name c )  (resid  94 and name n )
       (resid  94 and name ca)  (resid  94 and name c )  8.49 3.00 !XEASY peaks 106/107
assign (resid  94 and name c )  (resid  95 and name n )
       (resid  95 and name ca)  (resid  95 and name c ) 10.00 2.00 !XEASY peaks 44/45
assign (resid  96 and name c )  (resid  97 and name n )
       (resid  97 and name ca)  (resid  97 and name c ) 10.00 2.00 !XEASY peaks 23/24
assign (resid  99 and name c )  (resid 100 and name n )
       (resid 100 and name ca)  (resid 100 and name c )  5.10 2.00 !XEASY peaks 122/123
assign (resid 100 and name c )  (resid 101 and name n )
       (resid 101 and name ca)  (resid 101 and name c )  4.58 2.00 !XEASY peaks 159/161
assign (resid 101 and name c )  (resid 102 and name n )
       (resid 102 and name ca)  (resid 102 and name c )  7.14 2.00 !XEASY peaks 86/87
assign (resid 104 and name c )  (resid 105 and name n )
       (resid 105 and name ca)  (resid 105 and name c )  4.41 2.00 !XEASY peaks 116/117
assign (resid 108 and name c )  (resid 109 and name n )
       (resid 109 and name ca)  (resid 109 and name c ) 10.00 2.00 !XEASY peaks 201/202
assign (resid 110 and name c )  (resid 111 and name n )
       (resid 111 and name ca)  (resid 111 and name c ) 10.00 2.00 !XEASY peaks 131/132
assign (resid 113 and name c )  (resid 114 and name n )
       (resid 114 and name ca)  (resid 114 and name c ) 10.00 2.00 !XEASY peaks 66/67
assign (resid 114 and name c )  (resid 115 and name n )
       (resid 115 and name ca)  (resid 115 and name c ) 10.00 2.00 !XEASY peaks 133/134
assign (resid 115 and name c )  (resid 116 and name n )
       (resid 116 and name ca)  (resid 116 and name c ) 10.00 2.00 !XEASY peaks 72/73
assign (resid 117 and name c )  (resid 118 and name n )
       (resid 118 and name ca)  (resid 118 and name c )  7.48 2.00 !XEASY peaks 10/11
assign (resid 120 and name c )  (resid 121 and name n )
       (resid 121 and name ca)  (resid 121 and name c ) 10.00 2.00 !XEASY peaks 271/272
assign (resid 121 and name c )  (resid 122 and name n )
       (resid 122 and name ca)  (resid 122 and name c ) 10.00 2.00 !XEASY peaks 64/65
assign (resid 122 and name c )  (resid 123 and name n )
       (resid 123 and name ca)  (resid 123 and name c )  8.95 3.00 !XEASY peaks 187/188
assign (resid 124 and name c )  (resid 125 and name n )
       (resid 125 and name ca)  (resid 125 and name c ) 10.00 2.00 !XEASY peaks 236/237
assign (resid 125 and name c )  (resid 126 and name n )
       (resid 126 and name ca)  (resid 126 and name c ) 10.00 2.00 !XEASY peaks 222/223
assign (resid 126 and name c )  (resid 127 and name n )
       (resid 127 and name ca)  (resid 127 and name c ) 10.00 2.00 !XEASY peaks 25/26
assign (resid 127 and name c )  (resid 128 and name n )
       (resid 128 and name ca)  (resid 128 and name c )  4.81 2.00 !XEASY peaks 173/174
assign (resid 128 and name c )  (resid 129 and name n )
       (resid 129 and name ca)  (resid 129 and name c )  6.27 2.00 !XEASY peaks 204/205
assign (resid 130 and name c )  (resid 131 and name n )
       (resid 131 and name ca)  (resid 131 and name c )  8.50 2.00 !XEASY peaks 104/105
assign (resid 132 and name c )  (resid 133 and name n )
       (resid 133 and name ca)  (resid 133 and name c )  3.40 2.00 !XEASY peaks 96/97
assign (resid 133 and name c )  (resid 134 and name n )
       (resid 134 and name ca)  (resid 134 and name c )  4.33 2.00 !XEASY peaks 238/239
assign (resid 135 and name c )  (resid 136 and name n )
       (resid 136 and name ca)  (resid 136 and name c ) 10.00 2.00 !XEASY peaks 183/184
assign (resid 136 and name c )  (resid 137 and name n )
       (resid 137 and name ca)  (resid 137 and name c ) 10.00 2.00 !XEASY peaks 234/235
assign (resid 137 and name c )  (resid 138 and name n )
       (resid 138 and name ca)  (resid 138 and name c )  6.43 2.00 !XEASY peaks 4/5
assign (resid 139 and name c )  (resid 140 and name n )
       (resid 140 and name ca)  (resid 140 and name c )  8.14 2.00 !XEASY peaks 254/255
assign (resid 140 and name c )  (resid 141 and name n )
       (resid 141 and name ca)  (resid 141 and name c )  8.77 2.00 !XEASY peaks 240/241
assign (resid 141 and name c )  (resid 142 and name n )
       (resid 142 and name ca)  (resid 142 and name c )  9.70 2.00 !XEASY peaks 70/71
assign (resid 142 and name c )  (resid 143 and name n )
       (resid 143 and name ca)  (resid 143 and name c )  9.27 2.00 !XEASY peaks 92/93
assign (resid 143 and name c )  (resid 144 and name n )
       (resid 144 and name ca)  (resid 144 and name c ) 10.00 2.00 !XEASY peaks 12/13
assign (resid 145 and name c )  (resid 146 and name n )
       (resid 146 and name ca)  (resid 146 and name c ) 10.00 2.00 !XEASY peaks 62/63
assign (resid 149 and name c )  (resid 150 and name n )
       (resid 150 and name ca)  (resid 150 and name c )  7.30 2.00 !XEASY peaks 193/194
assign (resid 153 and name c )  (resid 154 and name n )
       (resid 154 and name ca)  (resid 154 and name c ) 10.00 2.00 !XEASY peaks 228/229
assign (resid 154 and name c )  (resid 155 and name n )
       (resid 155 and name ca)  (resid 155 and name c ) 10.00 2.00 !XEASY peaks 80/81
assign (resid 155 and name c )  (resid 156 and name n )
       (resid 156 and name ca)  (resid 156 and name c ) 10.00 2.00 !XEASY peaks 90/91
assign (resid 156 and name c )  (resid 157 and name n )
       (resid 157 and name ca)  (resid 157 and name c ) 10.00 2.00 !XEASY peaks 114/115
assign (resid 157 and name c )  (resid 158 and name n )
       (resid 158 and name ca)  (resid 158 and name c ) 10.00 2.00 !XEASY peaks 34/36
assign (resid 158 and name c )  (resid 159 and name n )
       (resid 159 and name ca)  (resid 159 and name c ) 10.00 2.00 !XEASY peaks 160/162
!
! Chemical shifts of methyl groups
OBSE  (resid    1 and name Hg2* )      1.22
OBSE  (resid    2 and name Hb*  )      1.52
OBSE  (resid    4 and name Hd1* )      1.19
OBSE  (resid    4 and name Hd2* )      0.80
OBSE  (resid    6 and name Hb*  )      1.51
OBSE  (resid   12 and name Hd1* )      0.93
OBSE  (resid   12 and name Hd2* )      0.81
OBSE  (resid   13 and name Hg2* )      1.29
OBSE  (resid   13 and name Hd1* )      0.84
OBSE  (resid   19 and name Hd1* )      0.70
OBSE  (resid   19 and name Hd2* )      0.40
OBSE  (resid   23 and name Hd1* )      0.75
OBSE  (resid   23 and name Hd2* )     -0.03
OBSE  (resid   27 and name Hd1* )      0.95
OBSE  (resid   27 and name Hd2* )      0.60
OBSE  (resid   32 and name Hb*  )      1.34
OBSE  (resid   34 and name Hg2* )      0.45
OBSE  (resid   35 and name Hg2* )      0.95
OBSE  (resid   38 and name Hg2* )      0.67
OBSE  (resid   38 and name Hd1* )      1.00
OBSE  (resid   39 and name He*  )      2.04
OBSE  (resid   40 and name Hg*  )      0.51
OBSE  (resid   41 and name Hg1* )      0.895
OBSE  (resid   41 and name Hg2* )      0.930
OBSE  (resid   45 and name Hg2* )      0.69
OBSE  (resid   54 and name Hd1* )      0.32
OBSE  (resid   54 and name Hd2* )      0.59
OBSE  (resid   58 and name Hg2* )      1.11
OBSE  (resid   60 and name Hg1* )      0.523
OBSE  (resid   60 and name Hg2* )      0.293
OBSE  (resid   61 and name Hg1* )      0.336
OBSE  (resid   61 and name Hg2* )     -0.21
OBSE  (resid   62 and name Hd1* )     -0.06
OBSE  (resid   62 and name Hd2* )      0.22
OBSE  (resid   63 and name Hg2* )      0.94
OBSE  (resid   70 and name Hb*  )      1.19
OBSE  (resid   73 and name Hb*  )      1.18
OBSE  (resid   74 and name Hg1* )      0.386
OBSE  (resid   74 and name Hg2* )      0.875
OBSE  (resid   75 and name Hg1* )      0.742
OBSE  (resid   75 and name Hg2* )      0.875
OBSE  (resid   76 and name Hg1* )      0.452
OBSE  (resid   76 and name Hg2* )      0.626
OBSE  (resid   79 and name Hg1* )      0.545
OBSE  (resid   79 and name Hg2* )      0.627
OBSE  (resid   80 and name Hb*  )      1.536
OBSE  (resid   81 and name Hb*  )      1.65
OBSE  (resid   82 and name Hg2* )      1.00
OBSE  (resid   82 and name Hg3* )      1.00
OBSE  (resid   84 and name Hb*  )      1.57
OBSE  (resid   86 and name Hb*  )      1.71
OBSE  (resid   94 and name Hd1* )      0.76
OBSE  (resid   94 and name Hd2* )      0.76
OBSE  (resid   95 and name Hg2* )      0.90
OBSE  (resid   96 and name Hg2* )      0.45
OBSE  (resid   96 and name Hd1* )     -0.14
OBSE  (resid   97 and name Hb*  )      1.68
OBSE  (resid  100 and name Hb*  )      1.48
OBSE  (resid  102 and name Hg2* )      0.46
OBSE  (resid  102 and name Hd1* )      0.08
OBSE  (resid  104 and name Hg2* )      1.26
OBSE  (resid  105 and name Hb*  )      1.35
OBSE  (resid  110 and name Hg1* )      0.389
OBSE  (resid  110 and name Hg2* )      0.439
OBSE  (resid  112 and name Hg2* )      1.40
OBSE  (resid  113 and name Hd1* )     -0.96
OBSE  (resid  113 and name Hd2* )      0.29
OBSE  (resid  114 and name Hd1* )      0.99
OBSE  (resid  114 and name Hd2* )      1.06
OBSE  (resid  115 and name Hg2* )     -0.04
OBSE  (resid  116 and name Hg2* )      0.54
OBSE  (resid  118 and name Hd1* )     -0.32
OBSE  (resid  118 and name Hd2* )     -0.61
OBSE  (resid  119 and name Hb*  )      1.36
OBSE  (resid  126 and name Hg2* )      1.23
OBSE  (resid  128 and name He*  )     -0.31
OBSE  (resid  129 and name Hg2* )      1.11
OBSE  (resid  129 and name Hd1* )      0.77
OBSE  (resid  131 and name Hd1* )     -0.04
OBSE  (resid  131 and name Hd2* )      0.39
OBSE  (resid  137 and name Hg2* )      1.20
OBSE  (resid  139 and name Hg1* )      0.906
OBSE  (resid  139 and name Hg2* )      0.910
OBSE  (resid  143 and name Hg2* )      0.88
OBSE  (resid  144 and name Hg1* )      0.912
OBSE  (resid  144 and name Hg2* )      0.829
OBSE  (resid  147 and name Hg2* )      1.27
OBSE  (resid  150 and name Hb*  )      1.37
OBSE  (resid  151 and name Hd1* )      1.15
OBSE  (resid  151 and name Hd2* )      0.80
OBSE  (resid  152 and name Hg2* )      1.11
OBSE  (resid  154 and name Hg2* )      1.04
OBSE  (resid  157 and name Hg1* )      0.940
OBSE  (resid  157 and name Hg2* )      0.939
OBSE  (resid  162 and name Hb*  )      1.31
! chemical shifts of methylene protons with
! unusual chemical shift values
OBSE  (resid   20 and name hb1  )      2.495
OBSE  (resid   20 and name hb2  )      1.654
OBSE  (resid   20 and name hd1  )      3.237
OBSE  (resid   20 and name hd2  )      1.225
OBSE  (resid  138 and name hb1  )      1.101
OBSE  (resid  138 and name hb2  )     -0.766



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR   1          1H        THR   1  -5.269   9.606   4.838
    2   2H    THR   1          2H        THR   1  -6.856   9.485   4.243
    3   3H    THR   1          3H        THR   1  -5.940  10.886   3.949
    4    HA   THR   1           HA       THR   1  -5.830   8.276   2.648
    5    HB   THR   1           HB       THR   1  -4.899  10.765   1.349
    6    HG1  THR   1           HG1      THR   1  -7.592  10.379   2.151
    7   1HG2  THR   1          1HG2      THR   1  -7.075   9.539   0.025
    8   2HG2  THR   1          2HG2      THR   1  -6.105   8.225   0.693
    9   3HG2  THR   1          3HG2      THR   1  -5.364   9.408  -0.383
   10    H    ALA   2           HN       ALA   2  -4.017   7.111   2.965
   11    HA   ALA   2           HA       ALA   2  -1.409   8.559   2.841
   12   1HB   ALA   2          1HB       ALA   2  -0.530   7.041   4.566
   13   2HB   ALA   2          2HB       ALA   2  -2.104   6.256   4.688
   14   3HB   ALA   2          3HB       ALA   2  -1.917   7.937   5.185
   15    H    PHE   3           HN       PHE   3   0.352   7.235   2.032
   16    HA   PHE   3           HA       PHE   3  -0.610   4.999   0.298
   17   1HB   PHE   3          2HB       PHE   3   1.617   7.003   0.071
   18   2HB   PHE   3          1HB       PHE   3   1.778   5.441  -0.730
   19    HD1  PHE   3           HD1      PHE   3  -1.197   7.658  -0.181
   20    HD2  PHE   3           HD2      PHE   3   1.400   5.737  -2.991
   21    HE1  PHE   3           HE1      PHE   3  -2.632   8.438  -2.044
   22    HE2  PHE   3           HE2      PHE   3  -0.030   6.511  -4.855
   23    HZ   PHE   3           HZ       PHE   3  -2.046   7.861  -4.380
   24    H    LEU   4           HN       LEU   4   0.163   2.930   0.749
   25    HA   LEU   4           HA       LEU   4   2.529   2.743   2.562
   26   1HB   LEU   4          2HB       LEU   4   0.567   2.396   3.950
   27   2HB   LEU   4          1HB       LEU   4  -0.105   1.256   2.787
   28    HG   LEU   4           HG       LEU   4   1.812  -0.263   3.180
   29   1HD1  LEU   4          1HD1      LEU   4   3.518   1.347   3.799
   30   2HD1  LEU   4          2HD1      LEU   4   3.285   0.242   5.154
   31   3HD1  LEU   4          3HD1      LEU   4   2.582   1.859   5.204
   32   1HD2  LEU   4          1HD2      LEU   4   0.056  -0.910   4.543
   33   2HD2  LEU   4          2HD2      LEU   4   0.001   0.639   5.384
   34   3HD2  LEU   4          3HD2      LEU   4   1.261  -0.532   5.774
   35    H    TRP   5           HN       TRP   5   3.926   2.028   0.903
   36    HA   TRP   5           HA       TRP   5   3.269  -0.672  -0.169
   37   1HB   TRP   5          2HB       TRP   5   3.942  -0.112  -2.382
   38   2HB   TRP   5          1HB       TRP   5   2.816   1.143  -1.878
   39    HD1  TRP   5           HD1      TRP   5   6.308   0.598  -3.068
   40    HE1  TRP   5           HE1      TRP   5   7.556   2.851  -3.182
   41    HE3  TRP   5           HE3      TRP   5   3.021   3.562  -0.512
   42    HZ2  TRP   5           HZ2      TRP   5   7.207   5.544  -2.305
   43    HZ3  TRP   5           HZ3      TRP   5   3.515   5.967  -0.164
   44    HH2  TRP   5           HH2      TRP   5   5.599   6.961  -1.057
   45    H    ALA   6           HN       ALA   6   5.377  -1.518  -1.331
   46    HA   ALA   6           HA       ALA   6   7.770  -0.757   0.283
   47   1HB   ALA   6          1HB       ALA   6   7.521  -3.622  -0.407
   48   2HB   ALA   6          2HB       ALA   6   6.354  -3.046   0.783
   49   3HB   ALA   6          3HB       ALA   6   8.082  -2.870   1.086
   50    H    GLN   7           HN       GLN   7   9.644  -0.666  -0.942
   51    HA   GLN   7           HA       GLN   7   9.615  -1.911  -3.633
   52   1HB   GLN   7          2HB       GLN   7  10.493   0.260  -4.598
   53   2HB   GLN   7          1HB       GLN   7   8.798   0.298  -4.115
   54   1HG   GLN   7          2HG       GLN   7   9.194   1.686  -2.321
   55   2HG   GLN   7          1HG       GLN   7  10.821   1.058  -2.058
   56   1HE2  GLN   7          1HE2      GLN   7  12.575   1.983  -3.323
   57   2HE2  GLN   7          2HE2      GLN   7  12.370   3.409  -4.221
   58    H    ASP   8           HN       ASP   8  11.742  -2.134  -4.558
   59    HA   ASP   8           HA       ASP   8  13.805  -2.473  -2.509
   60   1HB   ASP   8          2HB       ASP   8  15.137  -3.446  -4.360
   61   2HB   ASP   8          1HB       ASP   8  13.536  -4.172  -4.252
   62    H    ARG   9           HN       ARG   9  16.131  -1.888  -3.884
   63    HA   ARG   9           HA       ARG   9  16.463   0.879  -3.353
   64   1HB   ARG   9          2HB       ARG   9  18.627   0.657  -4.604
   65   2HB   ARG   9          1HB       ARG   9  18.390  -0.569  -3.362
   66   1HG   ARG   9          2HG       ARG   9  18.715  -2.150  -4.927
   67   2HG   ARG   9          1HG       ARG   9  17.231  -1.623  -5.714
   68   1HD   ARG   9          2HD       ARG   9  18.441  -0.888  -7.462
   69   2HD   ARG   9          1HD       ARG   9  19.255   0.260  -6.402
   70    HE   ARG   9           HE       ARG   9  20.323  -2.325  -7.302
   71   1HH1  ARG   9          1HH1      ARG   9  20.499   0.288  -5.014
   72   2HH1  ARG   9          2HH1      ARG   9  22.139  -0.050  -4.585
   73   1HH2  ARG   9          1HH2      ARG   9  22.448  -2.751  -6.726
   74   2HH2  ARG   9          2HH2      ARG   9  23.237  -1.759  -5.545
   75    H    ASP  10           HN       ASP  10  15.857  -0.759  -6.482
   76    HA   ASP  10           HA       ASP  10  16.061   1.685  -8.017
   77   1HB   ASP  10          2HB       ASP  10  14.940  -1.060  -8.574
   78   2HB   ASP  10          1HB       ASP  10  14.795   0.247  -9.749
   79    H    GLY  11           HN       GLY  11  13.429   0.020  -6.395
   80   1HA   GLY  11          2HA       GLY  11  11.536   1.435  -5.607
   81   2HA   GLY  11          1HA       GLY  11  11.658   2.325  -7.122
   82    H    LEU  12           HN       LEU  12  11.749  -1.189  -6.707
   83    HA   LEU  12           HA       LEU  12   9.586  -1.481  -8.693
   84   1HB   LEU  12          2HB       LEU  12  11.608  -2.938  -8.741
   85   2HB   LEU  12          1HB       LEU  12  11.179  -3.552  -7.147
   86    HG   LEU  12           HG       LEU  12   9.034  -4.401  -8.072
   87   1HD1  LEU  12          1HD1      LEU  12   8.383  -3.287  -9.947
   88   2HD1  LEU  12          2HD1      LEU  12   9.360  -4.496 -10.779
   89   3HD1  LEU  12          3HD1      LEU  12  10.038  -2.907 -10.419
   90   1HD2  LEU  12          1HD2      LEU  12  10.472  -6.174  -8.121
   91   2HD2  LEU  12          2HD2      LEU  12  11.729  -5.262  -8.953
   92   3HD2  LEU  12          3HD2      LEU  12  10.381  -5.944  -9.866
   93    H    ILE  13           HN       ILE  13   7.719  -3.020  -8.107
   94    HA   ILE  13           HA       ILE  13   7.155  -2.951  -5.187
   95    HB   ILE  13           HB       ILE  13   4.674  -2.617  -5.895
   96   1HG1  ILE  13          2HG1      ILE  13   5.681  -0.925  -8.101
   97   2HG1  ILE  13          1HG1      ILE  13   5.675  -2.653  -8.432
   98   1HG2  ILE  13          1HG2      ILE  13   5.504  -0.893  -4.608
   99   2HG2  ILE  13          2HG2      ILE  13   5.271  -0.033  -6.128
  100   3HG2  ILE  13          3HG2      ILE  13   6.874  -0.613  -5.679
  101   1HD1  ILE  13          1HD1      ILE  13   3.405  -0.800  -8.068
  102   2HD1  ILE  13          2HD1      ILE  13   3.239  -2.336  -7.219
  103   3HD1  ILE  13          3HD1      ILE  13   3.483  -2.316  -8.966
  104    H    GLY  14           HN       GLY  14   5.523  -4.235  -8.147
  105   1HA   GLY  14          2HA       GLY  14   5.994  -6.969  -7.124
  106   2HA   GLY  14          1HA       GLY  14   4.313  -6.455  -7.241
  107    H    LYS  15           HN       LYS  15   5.987  -8.504  -8.797
  108    HA   LYS  15           HA       LYS  15   5.371  -7.417 -11.516
  109   1HB   LYS  15          2HB       LYS  15   7.813  -7.784 -11.071
  110   2HB   LYS  15          1HB       LYS  15   7.464  -9.492 -10.803
  111   1HG   LYS  15          2HG       LYS  15   6.208  -8.978 -13.221
  112   2HG   LYS  15          1HG       LYS  15   7.677  -8.008 -13.324
  113   1HD   LYS  15          2HD       LYS  15   8.680 -10.317 -12.283
  114   2HD   LYS  15          1HD       LYS  15   7.359 -10.951 -13.265
  115   1HE   LYS  15          2HE       LYS  15   8.289 -10.203 -15.250
  116   2HE   LYS  15          1HE       LYS  15   9.145  -8.874 -14.469
  117   1HZ   LYS  15          1HE       LYS  15  10.798 -10.406 -14.988
  118   2HZ   LYS  15          2HE       LYS  15   9.856 -11.741 -14.523
  119   3HZ   LYS  15          3HE       LYS  15  10.493 -10.696 -13.345
  120    H    ASP  16           HN       ASP  16   3.876  -8.560 -12.649
  121    HA   ASP  16           HA       ASP  16   2.292 -10.196 -13.125
  122   1HB   ASP  16          2HB       ASP  16   4.703 -11.862 -12.377
  123   2HB   ASP  16          1HB       ASP  16   3.235 -12.542 -13.081
  124    H    GLY  17           HN       GLY  17   1.556  -9.208 -10.717
  125   1HA   GLY  17          2HA       GLY  17   0.104  -9.858  -9.007
  126   2HA   GLY  17          1HA       GLY  17   0.369 -11.533  -9.466
  127    H    HIS  18           HN       HIS  18   2.300 -12.598  -8.608
  128    HA   HIS  18           HA       HIS  18   2.644 -12.101  -5.821
  129   1HB   HIS  18          2HB       HIS  18   4.421 -13.849  -5.971
  130   2HB   HIS  18          1HB       HIS  18   2.903 -14.332  -6.728
  131    HD1  HIS  18           HD1      HIS  18   6.346 -13.020  -7.634
  132    HD2  HIS  18           HD2      HIS  18   3.087 -14.862  -9.468
  133    HE1  HIS  18           HE1      HIS  18   7.083 -13.602  -9.986
  134    H    LEU  19           HN       LEU  19   4.161 -11.027  -4.668
  135    HA   LEU  19           HA       LEU  19   5.730  -8.950  -5.766
  136   1HB   LEU  19          2HB       LEU  19   5.636 -10.400  -3.168
  137   2HB   LEU  19          1HB       LEU  19   7.124  -9.519  -3.510
  138    HG   LEU  19           HG       LEU  19   4.627  -8.043  -4.107
  139   1HD1  LEU  19          1HD1      LEU  19   3.843  -7.790  -1.952
  140   2HD1  LEU  19          2HD1      LEU  19   5.420  -8.111  -1.229
  141   3HD1  LEU  19          3HD1      LEU  19   4.437  -9.446  -1.835
  142   1HD2  LEU  19          1HD2      LEU  19   5.920  -6.218  -3.092
  143   2HD2  LEU  19          2HD2      LEU  19   6.914  -7.078  -4.266
  144   3HD2  LEU  19          3HD2      LEU  19   7.139  -7.367  -2.542
  145    HA   PRO  20           HA       PRO  20   9.345 -11.048  -7.297
  146   1HB   PRO  20          2HB       PRO  20  11.134  -8.909  -6.905
  147   2HB   PRO  20          1HB       PRO  20  10.119  -9.182  -8.330
  148   1HG   PRO  20          2HG       PRO  20   9.904  -7.073  -6.459
  149   2HG   PRO  20          1HG       PRO  20   8.787  -7.452  -7.777
  150   1HD   PRO  20          2HD       PRO  20   8.546  -8.031  -4.884
  151   2HD   PRO  20          1HD       PRO  20   7.279  -7.863  -6.116
  152    H    TRP  21           HN       TRP  21   9.655  -9.394  -4.171
  153    HA   TRP  21           HA       TRP  21  11.834 -11.311  -3.455
  154   1HB   TRP  21          2HB       TRP  21  12.452  -9.593  -1.728
  155   2HB   TRP  21          1HB       TRP  21  12.603  -9.003  -3.384
  156    HD1  TRP  21           HD1      TRP  21  10.138  -8.883  -0.422
  157    HE1  TRP  21           HE1      TRP  21   8.725  -6.736  -0.629
  158    HE3  TRP  21           HE3      TRP  21  11.872  -7.120  -4.891
  159    HZ2  TRP  21           HZ2      TRP  21   8.384  -4.554  -2.447
  160    HZ3  TRP  21           HZ3      TRP  21  10.987  -5.005  -5.835
  161    HH2  TRP  21           HH2      TRP  21   9.247  -3.724  -4.619
  162    H    HIS  22           HN       HIS  22  11.535 -12.577  -1.648
  163    HA   HIS  22           HA       HIS  22   8.855 -12.499  -0.392
  164   1HB   HIS  22          2HB       HIS  22   9.978 -14.651  -1.199
  165   2HB   HIS  22          1HB       HIS  22  11.087 -14.469   0.160
  166    HD1  HIS  22           HD1      HIS  22  10.342 -15.774   2.136
  167    HD2  HIS  22           HD2      HIS  22   7.093 -14.365  -0.064
  168    HE1  HIS  22           HE1      HIS  22   8.262 -16.579   3.336
  169    H    LEU  23           HN       LEU  23   8.919 -10.765   1.070
  170    HA   LEU  23           HA       LEU  23  11.041 -10.919   3.174
  171   1HB   LEU  23          2HB       LEU  23  10.961  -8.843   1.632
  172   2HB   LEU  23          1HB       LEU  23   9.490  -8.417   2.505
  173    HG   LEU  23           HG       LEU  23  10.827  -8.674   4.655
  174   1HD1  LEU  23          1HD1      LEU  23  12.660  -9.934   3.205
  175   2HD1  LEU  23          2HD1      LEU  23  13.119  -8.979   4.612
  176   3HD1  LEU  23          3HD1      LEU  23  13.284  -8.300   2.993
  177   1HD2  LEU  23          1HD2      LEU  23  12.348  -6.531   3.547
  178   2HD2  LEU  23          2HD2      LEU  23  10.865  -6.424   4.493
  179   3HD2  LEU  23          3HD2      LEU  23  10.783  -6.531   2.735
  180    HA   PRO  24           HA       PRO  24   7.285 -12.015   5.505
  181   1HB   PRO  24          2HB       PRO  24   8.982 -12.755   7.686
  182   2HB   PRO  24          1HB       PRO  24   8.092 -13.822   6.592
  183   1HG   PRO  24          2HG       PRO  24  10.898 -13.416   6.720
  184   2HG   PRO  24          1HG       PRO  24   9.997 -14.414   5.572
  185   1HD   PRO  24          2HD       PRO  24  11.290 -11.865   5.122
  186   2HD   PRO  24          1HD       PRO  24  10.534 -12.948   3.944
  187    H    ASP  25           HN       ASP  25  10.136 -10.251   6.676
  188    HA   ASP  25           HA       ASP  25   8.842  -9.027   8.929
  189   1HB   ASP  25          2HB       ASP  25  11.410  -9.151   8.076
  190   2HB   ASP  25          1HB       ASP  25  10.995  -7.520   7.546
  191    H    ASP  26           HN       ASP  26   8.821  -8.327   5.508
  192    HA   ASP  26           HA       ASP  26   7.919  -5.574   5.794
  193   1HB   ASP  26          2HB       ASP  26   9.045  -6.238   3.749
  194   2HB   ASP  26          1HB       ASP  26   7.854  -7.499   3.451
  195    H    LEU  27           HN       LEU  27   6.315  -8.712   5.165
  196    HA   LEU  27           HA       LEU  27   3.686  -7.782   4.774
  197   1HB   LEU  27          2HB       LEU  27   4.595 -10.269   6.258
  198   2HB   LEU  27          1HB       LEU  27   2.961  -9.988   5.656
  199    HG   LEU  27           HG       LEU  27   5.332  -9.814   3.804
  200   1HD1  LEU  27          1HD1      LEU  27   3.789 -12.294   4.623
  201   2HD1  LEU  27          2HD1      LEU  27   5.517 -12.010   4.823
  202   3HD1  LEU  27          3HD1      LEU  27   4.838 -12.205   3.208
  203   1HD2  LEU  27          1HD2      LEU  27   3.147  -8.956   3.038
  204   2HD2  LEU  27          2HD2      LEU  27   2.399 -10.505   3.428
  205   3HD2  LEU  27          3HD2      LEU  27   3.597 -10.404   2.138
  206    H    HIS  28           HN       HIS  28   5.292  -8.628   7.860
  207    HA   HIS  28           HA       HIS  28   3.140  -7.964   9.585
  208   1HB   HIS  28          2HB       HIS  28   6.130  -7.695  10.033
  209   2HB   HIS  28          1HB       HIS  28   4.917  -7.589  11.308
  210    HD1  HIS  28           HD1      HIS  28   3.058  -9.855  10.737
  211    HD2  HIS  28           HD2      HIS  28   7.180 -10.240  10.251
  212    HE1  HIS  28           HE1      HIS  28   3.564 -12.334  10.851
  213    H    TYR  29           HN       TYR  29   5.638  -5.943   8.099
  214    HA   TYR  29           HA       TYR  29   4.991  -3.514   9.486
  215   1HB   TYR  29          2HB       TYR  29   7.073  -3.908   8.119
  216   2HB   TYR  29          1HB       TYR  29   6.079  -3.781   6.667
  217    HD1  TYR  29           HD1      TYR  29   7.122  -1.944   9.741
  218    HD2  TYR  29           HD2      TYR  29   5.451  -1.668   5.794
  219    HE1  TYR  29           HE1      TYR  29   7.279   0.529   9.848
  220    HE2  TYR  29           HE2      TYR  29   5.608   0.804   5.900
  221    HH   TYR  29           HH       TYR  29   5.780   2.569   7.486
  222    H    PHE  30           HN       PHE  30   3.745  -5.039   6.554
  223    HA   PHE  30           HA       PHE  30   2.091  -2.833   5.717
  224   1HB   PHE  30          2HB       PHE  30   2.730  -4.735   4.234
  225   2HB   PHE  30          1HB       PHE  30   1.703  -5.798   5.196
  226    HD1  PHE  30           HD1      PHE  30   1.405  -2.380   3.653
  227    HD2  PHE  30           HD2      PHE  30  -0.375  -6.241   4.261
  228    HE1  PHE  30           HE1      PHE  30  -0.568  -1.681   2.322
  229    HE2  PHE  30           HE2      PHE  30  -2.348  -5.543   2.933
  230    HZ   PHE  30           HZ       PHE  30  -2.444  -3.264   1.961
  231    H    ARG  31           HN       ARG  31   1.368  -5.809   7.561
  232    HA   ARG  31           HA       ARG  31  -1.388  -5.198   8.035
  233   1HB   ARG  31          2HB       ARG  31  -0.251  -7.438   8.348
  234   2HB   ARG  31          1HB       ARG  31   0.460  -6.796   9.827
  235   1HG   ARG  31          2HG       ARG  31  -1.973  -6.200  10.493
  236   2HG   ARG  31          1HG       ARG  31  -2.444  -7.323   9.215
  237   1HD   ARG  31          2HD       ARG  31  -2.336  -8.595  11.256
  238   2HD   ARG  31          1HD       ARG  31  -0.926  -9.034  10.297
  239    HE   ARG  31           HE       ARG  31  -0.697  -6.951  12.419
  240   1HH1  ARG  31          1HH2      ARG  31   0.217 -10.005  11.017
  241   2HH1  ARG  31          2HH2      ARG  31   1.593 -10.191  12.047
  242   1HH2  ARG  31          1HH1      ARG  31   1.090  -7.224  13.752
  243   2HH2  ARG  31          2HH1      ARG  31   2.084  -8.632  13.583
  244    H    ALA  32           HN       ALA  32   1.354  -4.995  10.319
  245    HA   ALA  32           HA       ALA  32   0.109  -3.633  12.407
  246   1HB   ALA  32          1HB       ALA  32   2.533  -2.466  12.519
  247   2HB   ALA  32          2HB       ALA  32   2.898  -3.766  11.384
  248   3HB   ALA  32          3HB       ALA  32   2.266  -4.146  12.986
  249    H    GLN  33           HN       GLN  33   1.439  -2.238   9.422
  250    HA   GLN  33           HA       GLN  33   1.020   0.506  10.212
  251   1HB   GLN  33          2HB       GLN  33   1.637  -0.913   7.647
  252   2HB   GLN  33          1HB       GLN  33   1.155   0.782   7.597
  253   1HG   GLN  33          2HG       GLN  33   3.131   0.255   9.689
  254   2HG   GLN  33          1HG       GLN  33   3.727  -0.165   8.082
  255   1HE2  GLN  33          1HE2      GLN  33   1.850   2.517   9.623
  256   2HE2  GLN  33          2HE2      GLN  33   2.634   3.750   8.758
  257    H    THR  34           HN       THR  34  -1.140  -1.916   8.995
  258    HA   THR  34           HA       THR  34  -3.146   0.244   8.452
  259    HB   THR  34           HB       THR  34  -4.278  -1.494   6.980
  260    HG1  THR  34           HG1      THR  34  -2.445  -3.033   8.028
  261   1HG2  THR  34          1HG2      THR  34  -1.482  -0.796   6.079
  262   2HG2  THR  34          2HG2      THR  34  -2.754   0.417   6.228
  263   3HG2  THR  34          3HG2      THR  34  -2.942  -0.924   5.097
  264    H    VAL  35           HN       VAL  35  -2.574  -1.102  11.039
  265    HA   VAL  35           HA       VAL  35  -4.833  -2.917  11.477
  266    HB   VAL  35           HB       VAL  35  -4.126  -2.764  13.876
  267   1HG1  VAL  35          1HG1      VAL  35  -1.644  -3.187  12.257
  268   2HG1  VAL  35          2HG1      VAL  35  -3.041  -4.216  11.947
  269   3HG1  VAL  35          3HG1      VAL  35  -2.312  -4.178  13.554
  270   1HG2  VAL  35          1HG2      VAL  35  -2.826  -0.401  12.878
  271   2HG2  VAL  35          2HG2      VAL  35  -1.597  -1.498  13.508
  272   3HG2  VAL  35          3HG2      VAL  35  -2.925  -0.976  14.543
  273    H    GLY  36           HN       GLY  36  -6.869  -2.136  11.652
  274   1HA   GLY  36          2HA       GLY  36  -8.634  -0.839  12.541
  275   2HA   GLY  36          1HA       GLY  36  -7.443   0.106  13.433
  276    H    LYS  37           HN       LYS  37  -6.699  -0.178  10.098
  277    HA   LYS  37           HA       LYS  37  -7.883   2.533   9.621
  278   1HB   LYS  37          2HB       LYS  37  -5.196   1.382   8.876
  279   2HB   LYS  37          1HB       LYS  37  -5.884   2.737   7.981
  280   1HG   LYS  37          2HG       LYS  37  -5.844   4.160   9.850
  281   2HG   LYS  37          1HG       LYS  37  -5.742   2.815  10.987
  282   1HD   LYS  37          2HD       LYS  37  -3.520   3.025   9.030
  283   2HD   LYS  37          1HD       LYS  37  -3.593   4.294  10.253
  284   1HE   LYS  37          2HE       LYS  37  -3.935   2.309  11.924
  285   2HE   LYS  37          1HE       LYS  37  -3.249   1.329  10.628
  286   1HZ   LYS  37          1HE       LYS  37  -1.927   3.811  11.526
  287   2HZ   LYS  37          2HE       LYS  37  -1.258   2.490  10.692
  288   3HZ   LYS  37          3HE       LYS  37  -1.666   2.343  12.335
  289    H    ILE  38           HN       ILE  38  -8.339   2.979   7.280
  290    HA   ILE  38           HA       ILE  38  -9.652   0.667   6.065
  291    HB   ILE  38           HB       ILE  38  -9.277   3.495   5.026
  292   1HG1  ILE  38          2HG1      ILE  38 -11.639   2.197   6.428
  293   2HG1  ILE  38          1HG1      ILE  38 -10.515   3.322   7.192
  294   1HG2  ILE  38          1HG2      ILE  38 -11.510   2.632   3.836
  295   2HG2  ILE  38          2HG2      ILE  38 -10.709   1.073   4.034
  296   3HG2  ILE  38          3HG2      ILE  38  -9.920   2.361   3.124
  297   1HD1  ILE  38          1HD1      ILE  38 -12.575   4.468   6.410
  298   2HD1  ILE  38          2HD1      ILE  38 -12.219   3.950   4.761
  299   3HD1  ILE  38          3HD1      ILE  38 -11.135   5.070   5.587
  300    H    MET  39           HN       MET  39  -8.677  -0.709   4.653
  301    HA   MET  39           HA       MET  39  -6.078   0.124   3.453
  302   1HB   MET  39          2HB       MET  39  -6.358  -2.031   4.849
  303   2HB   MET  39          1HB       MET  39  -7.218  -2.670   3.448
  304   1HG   MET  39          2HG       MET  39  -5.213  -2.035   2.043
  305   2HG   MET  39          1HG       MET  39  -4.361  -1.668   3.543
  306   1HE   MET  39          1HE       MET  39  -6.489  -3.993   1.656
  307   2HE   MET  39          2HE       MET  39  -7.011  -4.796   3.135
  308   3HE   MET  39          3HE       MET  39  -5.951  -5.641   2.009
  309    H    VAL  40           HN       VAL  40  -6.358   0.988   1.438
  310    HA   VAL  40           HA       VAL  40  -8.578   0.039  -0.262
  311    HB   VAL  40           HB       VAL  40  -6.500   2.169  -0.837
  312   1HG1  VAL  40          1HG1      VAL  40  -7.923   1.096  -2.708
  313   2HG1  VAL  40          2HG1      VAL  40  -7.939   2.855  -2.584
  314   3HG1  VAL  40          3HG1      VAL  40  -9.289   1.914  -1.952
  315   1HG2  VAL  40          1HG2      VAL  40  -7.678   2.801   1.175
  316   2HG2  VAL  40          2HG2      VAL  40  -9.226   2.316   0.483
  317   3HG2  VAL  40          3HG2      VAL  40  -8.379   3.725  -0.154
  318    H    VAL  41           HN       VAL  41  -8.236  -1.686  -1.529
  319    HA   VAL  41           HA       VAL  41  -5.590  -1.970  -2.884
  320    HB   VAL  41           HB       VAL  41  -6.047  -4.496  -2.750
  321   1HG1  VAL  41          1HG1      VAL  41  -5.607  -3.234  -0.047
  322   2HG1  VAL  41          2HG1      VAL  41  -4.417  -3.065  -1.337
  323   3HG1  VAL  41          3HG1      VAL  41  -4.838  -4.666  -0.731
  324   1HG2  VAL  41          1HG2      VAL  41  -7.833  -3.596  -0.470
  325   2HG2  VAL  41          2HG2      VAL  41  -7.511  -5.254  -0.976
  326   3HG2  VAL  41          3HG2      VAL  41  -8.440  -4.178  -2.020
  327    H    GLY  42           HN       GLY  42  -5.817  -2.089  -5.074
  328   1HA   GLY  42          2HA       GLY  42  -8.399  -1.888  -6.307
  329   2HA   GLY  42          1HA       GLY  42  -6.882  -2.140  -7.156
  330    H    ARG  43           HN       ARG  43  -9.365  -3.385  -7.818
  331    HA   ARG  43           HA       ARG  43  -9.858  -5.953  -6.874
  332   1HB   ARG  43          2HB       ARG  43 -11.089  -4.664  -8.698
  333   2HB   ARG  43          1HB       ARG  43  -9.859  -5.255  -9.815
  334   1HG   ARG  43          2HG       ARG  43 -10.833  -7.447  -8.212
  335   2HG   ARG  43          1HG       ARG  43 -12.195  -6.610  -8.957
  336   1HD   ARG  43          2HD       ARG  43  -9.735  -7.581 -10.442
  337   2HD   ARG  43          1HD       ARG  43 -11.292  -8.407 -10.420
  338    HE   ARG  43           HE       ARG  43 -11.588  -5.664 -11.285
  339   1HH1  ARG  43          1HH2      ARG  43 -10.577  -8.839 -12.257
  340   2HH1  ARG  43          2HH2      ARG  43 -10.905  -8.560 -13.933
  341   1HH2  ARG  43          1HH1      ARG  43 -12.009  -5.314 -13.473
  342   2HH2  ARG  43          2HH1      ARG  43 -11.715  -6.578 -14.618
  343    H    ARG  44           HN       ARG  44  -7.072  -4.911  -8.757
  344    HA   ARG  44           HA       ARG  44  -6.360  -7.576  -9.656
  345   1HB   ARG  44          2HB       ARG  44  -5.074  -4.881  -9.633
  346   2HB   ARG  44          1HB       ARG  44  -4.023  -6.285  -9.815
  347   1HG   ARG  44          2HG       ARG  44  -5.023  -6.930 -11.835
  348   2HG   ARG  44          1HG       ARG  44  -6.505  -6.033 -11.498
  349   1HD   ARG  44          2HD       ARG  44  -5.052  -3.918 -11.602
  350   2HD   ARG  44          1HD       ARG  44  -3.814  -4.935 -12.327
  351    HE   ARG  44           HE       ARG  44  -6.431  -4.246 -13.552
  352   1HH1  ARG  44          1HH1      ARG  44  -3.357  -5.870 -13.700
  353   2HH1  ARG  44          2HH1      ARG  44  -3.433  -6.089 -15.413
  354   1HH2  ARG  44          1HH2      ARG  44  -6.501  -4.530 -15.772
  355   2HH2  ARG  44          2HH2      ARG  44  -5.199  -5.338 -16.580
  356    H    THR  45           HN       THR  45  -5.222  -5.457  -7.007
  357    HA   THR  45           HA       THR  45  -3.372  -7.416  -5.964
  358    HB   THR  45           HB       THR  45  -4.646  -5.230  -4.323
  359    HG1  THR  45           HG1      THR  45  -2.731  -5.056  -6.393
  360   1HG2  THR  45          1HG2      THR  45  -2.914  -7.025  -3.503
  361   2HG2  THR  45          2HG2      THR  45  -2.689  -5.334  -3.055
  362   3HG2  THR  45          3HG2      THR  45  -1.752  -6.028  -4.377
  363    H    TYR  46           HN       TYR  46  -6.603  -6.349  -4.820
  364    HA   TYR  46           HA       TYR  46  -6.881  -8.116  -2.659
  365   1HB   TYR  46          2HB       TYR  46  -8.517  -6.307  -3.405
  366   2HB   TYR  46          1HB       TYR  46  -9.139  -7.478  -4.569
  367    HD1  TYR  46           HD1      TYR  46 -10.487  -9.346  -3.875
  368    HD2  TYR  46           HD2      TYR  46  -8.661  -6.777  -0.958
  369    HE1  TYR  46           HE1      TYR  46 -11.857 -10.394  -2.092
  370    HE2  TYR  46           HE2      TYR  46 -10.030  -7.823   0.824
  371    HH   TYR  46           HH       TYR  46 -12.674  -9.375   0.435
  372    H    GLU  47           HN       GLU  47  -7.170  -8.782  -6.105
  373    HA   GLU  47           HA       GLU  47  -8.222 -11.484  -5.657
  374   1HB   GLU  47          2HB       GLU  47  -7.544  -9.789  -8.007
  375   2HB   GLU  47          1HB       GLU  47  -7.439 -11.535  -8.236
  376   1HG   GLU  47          HG2       GLU  47  -9.810 -11.314  -6.879
  377   2HG   GLU  47          HG1       GLU  47  -9.816  -9.831  -7.833
  378    H    SER  48           HN       SER  48  -5.112  -9.983  -5.787
  379    HA   SER  48           HA       SER  48  -3.773 -12.580  -6.326
  380   1HB   SER  48          2HB       SER  48  -3.049  -9.749  -6.624
  381   2HB   SER  48          1HB       SER  48  -1.768 -10.728  -5.916
  382    HG   SER  48           HG       SER  48  -1.611 -11.848  -7.724
  383    H    PHE  49           HN       PHE  49  -4.559 -10.433  -3.710
  384    HA   PHE  49           HA       PHE  49  -2.559 -10.874  -1.819
  385   1HB   PHE  49          2HB       PHE  49  -5.398 -10.206  -1.761
  386   2HB   PHE  49          1HB       PHE  49  -4.923 -11.160  -0.360
  387    HD1  PHE  49           HD1      PHE  49  -3.276 -10.336   1.240
  388    HD2  PHE  49           HD2      PHE  49  -4.455  -7.980  -2.148
  389    HE1  PHE  49           HE1      PHE  49  -2.236  -8.345   2.268
  390    HE2  PHE  49           HE2      PHE  49  -3.410  -5.980  -1.115
  391    HZ   PHE  49           HZ       PHE  49  -2.299  -6.164   1.093
  392    HA   PRO  50           HA       PRO  50  -2.710 -15.226  -0.845
  393   1HB   PRO  50          2HB       PRO  50  -1.533 -15.003   1.683
  394   2HB   PRO  50          1HB       PRO  50  -0.668 -15.124   0.144
  395   1HG   PRO  50          2HG       PRO  50  -0.791 -12.887   1.910
  396   2HG   PRO  50          1HG       PRO  50   0.035 -12.999   0.349
  397   1HD   PRO  50          2HD       PRO  50  -2.537 -11.741   1.005
  398   2HD   PRO  50          1HD       PRO  50  -1.488 -11.484  -0.399
  399    H    LYS  51           HN       LYS  51  -3.411 -13.274   2.101
  400    HA   LYS  51           HA       LYS  51  -5.684 -15.154   2.629
  401   1HB   LYS  51          2HB       LYS  51  -3.848 -13.713   4.558
  402   2HB   LYS  51          1HB       LYS  51  -5.330 -14.529   5.056
  403   1HG   LYS  51          2HG       LYS  51  -4.326 -16.565   3.736
  404   2HG   LYS  51          1HG       LYS  51  -2.797 -15.714   3.960
  405   1HD   LYS  51          2HD       LYS  51  -2.742 -16.802   5.958
  406   2HD   LYS  51          1HD       LYS  51  -3.866 -15.543   6.472
  407   1HE   LYS  51          2HE       LYS  51  -4.865 -18.060   5.148
  408   2HE   LYS  51          1HE       LYS  51  -4.544 -18.015   6.881
  409   1HZ   LYS  51          1HE       LYS  51  -6.650 -16.733   5.351
  410   2HZ   LYS  51          2HE       LYS  51  -5.955 -15.777   6.572
  411   3HZ   LYS  51          3HE       LYS  51  -6.651 -17.278   6.957
  412    H    ARG  52           HN       ARG  52  -7.435 -13.994   1.869
  413    HA   ARG  52           HA       ARG  52  -7.770 -11.223   2.955
  414   1HB   ARG  52          2HB       ARG  52  -9.202 -12.214   0.496
  415   2HB   ARG  52          1HB       ARG  52  -8.857 -10.554   0.979
  416   1HG   ARG  52          2HG       ARG  52  -7.114 -10.689  -0.463
  417   2HG   ARG  52          1HG       ARG  52  -6.334 -11.642   0.800
  418   1HD   ARG  52          2HD       ARG  52  -6.224 -12.889  -1.282
  419   2HD   ARG  52          1HD       ARG  52  -7.354 -13.702  -0.200
  420    HE   ARG  52           HE       ARG  52  -8.897 -11.928  -1.736
  421   1HH1  ARG  52          1HH1      ARG  52  -6.791 -14.640  -2.237
  422   2HH1  ARG  52          2HH1      ARG  52  -7.615 -15.166  -3.665
  423   1HH2  ARG  52          1HH2      ARG  52  -9.962 -12.620  -3.593
  424   2HH2  ARG  52          2HH2      ARG  52  -9.402 -14.029  -4.430
  425    HA   PRO  53           HA       PRO  53  -9.057  -9.821   3.396
  426   1HB   PRO  53          2HB       PRO  53 -10.618  -8.893   5.488
  427   2HB   PRO  53          1HB       PRO  53 -11.072  -8.813   3.779
  428   1HG   PRO  53          2HG       PRO  53 -12.261 -10.393   5.866
  429   2HG   PRO  53          1HG       PRO  53 -12.755 -10.255   4.172
  430   1HD   PRO  53          2HD       PRO  53 -11.216 -12.387   5.482
  431   2HD   PRO  53          1HD       PRO  53 -12.057 -12.405   3.921
  432    H    LEU  54           HN       LEU  54  -8.202  -8.458   5.361
  433    HA   LEU  54           HA       LEU  54  -6.489 -10.207   6.942
  434   1HB   LEU  54          2HB       LEU  54  -6.883  -7.204   6.903
  435   2HB   LEU  54          1HB       LEU  54  -5.720  -8.011   7.956
  436    HG   LEU  54           HG       LEU  54  -5.647  -8.767   5.082
  437   1HD1  LEU  54          1HD1      LEU  54  -4.529  -6.798   4.355
  438   2HD1  LEU  54          2HD1      LEU  54  -4.377  -6.183   6.002
  439   3HD1  LEU  54          3HD1      LEU  54  -5.956  -6.220   5.215
  440   1HD2  LEU  54          1HD2      LEU  54  -3.109  -8.095   6.058
  441   2HD2  LEU  54          2HD2      LEU  54  -3.794  -9.717   5.966
  442   3HD2  LEU  54          3HD2      LEU  54  -3.944  -8.780   7.452
  443    HA   PRO  55           HA       PRO  55  -8.956 -10.512  10.612
  444   1HB   PRO  55          2HB       PRO  55  -6.794 -10.752  12.404
  445   2HB   PRO  55          1HB       PRO  55  -7.626 -12.071  11.570
  446   1HG   PRO  55          2HG       PRO  55  -4.962 -11.137  11.159
  447   2HG   PRO  55          1HG       PRO  55  -5.806 -12.440  10.311
  448   1HD   PRO  55          2HD       PRO  55  -5.224  -9.733   9.394
  449   2HD   PRO  55          1HD       PRO  55  -5.794 -11.130   8.468
  450    H    GLU  56           HN       GLU  56  -9.856  -9.036  11.974
  451    HA   GLU  56           HA       GLU  56 -10.202  -6.965  13.034
  452   1HB   GLU  56          2HB       GLU  56  -7.432  -7.786  13.907
  453   2HB   GLU  56          1HB       GLU  56  -8.214  -6.336  14.538
  454   1HG   GLU  56          HG2       GLU  56  -9.983  -7.578  15.513
  455   2HG   GLU  56          HG1       GLU  56  -9.595  -9.020  14.574
  456    H    ARG  57           HN       ARG  57  -9.360  -6.694  10.297
  457    HA   ARG  57           HA       ARG  57  -8.087  -4.011  10.504
  458   1HB   ARG  57          2HB       ARG  57  -7.040  -6.370   9.012
  459   2HB   ARG  57          1HB       ARG  57  -6.958  -4.807   8.199
  460   1HG   ARG  57          2HG       ARG  57  -5.123  -4.326   9.405
  461   2HG   ARG  57          1HG       ARG  57  -6.123  -4.333  10.856
  462   1HD   ARG  57          2HD       ARG  57  -5.658  -7.048  10.220
  463   2HD   ARG  57          1HD       ARG  57  -4.106  -6.232  10.041
  464    HE   ARG  57           HE       ARG  57  -5.074  -5.264  12.444
  465   1HH1  ARG  57          1HH2      ARG  57  -4.553  -8.416  11.082
  466   2HH1  ARG  57          2HH2      ARG  57  -4.220  -9.149  12.614
  467   1HH2  ARG  57          1HH1      ARG  57  -4.641  -6.230  14.426
  468   2HH2  ARG  57          2HH1      ARG  57  -4.268  -7.920  14.497
  469    H    THR  58           HN       THR  58  -8.956  -2.527   9.075
  470    HA   THR  58           HA       THR  58 -11.394  -3.328   7.662
  471    HB   THR  58           HB       THR  58 -10.101  -0.615   7.466
  472    HG1  THR  58           HG1      THR  58 -10.276  -0.430   9.530
  473   1HG2  THR  58          1HG2      THR  58 -12.078  -0.868   6.144
  474   2HG2  THR  58          2HG2      THR  58 -12.559   0.029   7.585
  475   3HG2  THR  58          3HG2      THR  58 -12.925  -1.692   7.453
  476    H    ASN  59           HN       ASN  59 -11.377  -4.044   5.591
  477    HA   ASN  59           HA       ASN  59  -9.142  -3.139   3.815
  478   1HB   ASN  59          2HB       ASN  59 -10.580  -5.788   3.554
  479   2HB   ASN  59          1HB       ASN  59  -9.058  -5.300   2.809
  480   1HD2  ASN  59          1HD2      ASN  59  -7.800  -4.139   5.126
  481   2HD2  ASN  59          2HD2      ASN  59  -7.493  -5.384   6.239
  482    H    VAL  60           HN       VAL  60  -9.788  -2.219   1.891
  483    HA   VAL  60           HA       VAL  60 -12.662  -2.529   1.123
  484    HB   VAL  60           HB       VAL  60 -10.907  -0.067   0.831
  485   1HG1  VAL  60          1HG1      VAL  60 -13.481   0.730   0.382
  486   2HG1  VAL  60          2HG1      VAL  60 -13.503  -0.887  -0.323
  487   3HG1  VAL  60          3HG1      VAL  60 -12.342   0.310  -0.897
  488   1HG2  VAL  60          1HG2      VAL  60 -11.969  -0.822   3.144
  489   2HG2  VAL  60          2HG2      VAL  60 -13.440  -0.164   2.427
  490   3HG2  VAL  60          3HG2      VAL  60 -12.030   0.864   2.634
  491    H    VAL  61           HN       VAL  61 -12.997  -3.106  -1.011
  492    HA   VAL  61           HA       VAL  61 -10.555  -3.463  -2.676
  493    HB   VAL  61           HB       VAL  61 -13.314  -4.575  -3.228
  494   1HG1  VAL  61          1HG1      VAL  61 -10.583  -5.652  -3.964
  495   2HG1  VAL  61          2HG1      VAL  61 -11.479  -4.540  -4.999
  496   3HG1  VAL  61          3HG1      VAL  61 -12.147  -6.128  -4.625
  497   1HG2  VAL  61          1HG2      VAL  61 -11.073  -5.758  -1.555
  498   2HG2  VAL  61          2HG2      VAL  61 -12.475  -6.665  -2.124
  499   3HG2  VAL  61          3HG2      VAL  61 -12.689  -5.327  -0.994
  500    H    LEU  62           HN       LEU  62 -10.524  -2.696  -4.848
  501    HA   LEU  62           HA       LEU  62 -12.629  -0.662  -5.481
  502   1HB   LEU  62          2HB       LEU  62  -9.743  -0.408  -5.311
  503   2HB   LEU  62          1HB       LEU  62 -10.300  -0.019  -6.938
  504    HG   LEU  62           HG       LEU  62 -12.149   1.355  -5.647
  505   1HD1  LEU  62          1HD1      LEU  62 -11.798   1.776  -3.446
  506   2HD1  LEU  62          2HD1      LEU  62 -10.063   1.968  -3.674
  507   3HD1  LEU  62          3HD1      LEU  62 -10.753   0.356  -3.486
  508   1HD2  LEU  62          1HD2      LEU  62 -10.904   2.815  -6.869
  509   2HD2  LEU  62          2HD2      LEU  62  -9.396   1.979  -6.499
  510   3HD2  LEU  62          3HD2      LEU  62 -10.067   3.139  -5.352
  511    H    THR  63           HN       THR  63 -13.725  -1.106  -7.326
  512    HA   THR  63           HA       THR  63 -12.355  -2.516  -9.538
  513    HB   THR  63           HB       THR  63 -13.253  -4.347  -8.180
  514    HG1  THR  63           HG1      THR  63 -13.408  -4.398 -10.499
  515   1HG2  THR  63          1HG2      THR  63 -15.876  -4.400  -8.124
  516   2HG2  THR  63          2HG2      THR  63 -15.728  -2.652  -8.297
  517   3HG2  THR  63          3HG2      THR  63 -15.003  -3.464  -6.910
  518    H    HIS  64           HN       HIS  64 -13.640  -2.475 -11.541
  519    HA   HIS  64           HA       HIS  64 -15.381  -0.068 -11.637
  520   1HB   HIS  64          2HB       HIS  64 -13.504  -1.370 -13.466
  521   2HB   HIS  64          1HB       HIS  64 -15.040  -0.996 -14.243
  522    HD1  HIS  64           HD1      HIS  64 -15.683   1.492 -14.502
  523    HD2  HIS  64           HD2      HIS  64 -12.026   0.918 -12.585
  524    HE1  HIS  64           HE1      HIS  64 -14.560   3.760 -14.409
  525    H    GLN  65           HN       GLN  65 -15.850  -3.272 -11.123
  526    HA   GLN  65           HA       GLN  65 -18.080  -3.670 -13.004
  527   1HB   GLN  65          2HB       GLN  65 -16.777  -5.338 -10.860
  528   2HB   GLN  65          1HB       GLN  65 -18.338  -5.807 -11.534
  529   1HG   GLN  65          2HG       GLN  65 -16.608  -6.921 -12.807
  530   2HG   GLN  65          1HG       GLN  65 -17.312  -5.665 -13.826
  531   1HE2  GLN  65          1HE2      GLN  65 -14.567  -6.156 -11.540
  532   2HE2  GLN  65          2HE2      GLN  65 -13.511  -5.103 -12.351
  533    H    GLU  66           HN       GLU  66 -20.168  -4.586 -11.883
  534    HA   GLU  66           HA       GLU  66 -20.842  -2.778  -9.597
  535   1HB   GLU  66          2HB       GLU  66 -21.948  -2.737 -12.131
  536   2HB   GLU  66          1HB       GLU  66 -23.099  -3.718 -11.224
  537   1HG   GLU  66          HG2       GLU  66 -23.264  -1.961  -9.508
  538   2HG   GLU  66          HG1       GLU  66 -22.096  -0.979 -10.393
  539    H    ASP  67           HN       ASP  67 -20.585  -6.013 -10.638
  540    HA   ASP  67           HA       ASP  67 -22.502  -6.925  -8.541
  541   1HB   ASP  67          2HB       ASP  67 -21.380  -8.227 -11.017
  542   2HB   ASP  67          1HB       ASP  67 -22.080  -9.198  -9.722
  543    H    TYR  68           HN       TYR  68 -19.601  -5.951  -8.230
  544    HA   TYR  68           HA       TYR  68 -17.945  -8.194  -7.589
  545   1HB   TYR  68          2HB       TYR  68 -17.360  -5.648  -7.765
  546   2HB   TYR  68          1HB       TYR  68 -17.811  -5.603  -6.062
  547    HD1  TYR  68           HD1      TYR  68 -15.476  -7.070  -8.532
  548    HD2  TYR  68           HD2      TYR  68 -16.446  -6.656  -4.368
  549    HE1  TYR  68           HE1      TYR  68 -13.262  -8.005  -7.922
  550    HE2  TYR  68           HE2      TYR  68 -14.232  -7.590  -3.759
  551    HH   TYR  68           HH       TYR  68 -12.514  -9.227  -5.038
  552    H    GLN  69           HN       GLN  69 -18.624  -9.755  -6.178
  553    HA   GLN  69           HA       GLN  69 -20.178  -8.911  -3.781
  554   1HB   GLN  69          2HB       GLN  69 -19.811 -11.588  -5.142
  555   2HB   GLN  69          1HB       GLN  69 -20.612 -11.407  -3.581
  556   1HG   GLN  69          2HG       GLN  69 -21.529  -9.588  -5.744
  557   2HG   GLN  69          1HG       GLN  69 -21.946 -11.292  -5.928
  558   1HE2  GLN  69          1HE2      GLN  69 -23.209  -8.495  -4.722
  559   2HE2  GLN  69          2HE2      GLN  69 -24.159  -9.120  -3.461
  560    H    ALA  70           HN       ALA  70 -18.892  -8.522  -2.049
  561    HA   ALA  70           HA       ALA  70 -16.852 -10.571  -1.347
  562   1HB   ALA  70          1HB       ALA  70 -16.401  -7.652  -1.816
  563   2HB   ALA  70          2HB       ALA  70 -15.337  -9.017  -2.152
  564   3HB   ALA  70          3HB       ALA  70 -15.516  -8.424  -0.501
  565    H    GLN  71           HN       GLN  71 -18.296 -11.282   0.299
  566    HA   GLN  71           HA       GLN  71 -19.409  -9.407   2.233
  567   1HB   GLN  71          2HB       GLN  71 -19.183 -12.432   2.313
  568   2HB   GLN  71          1HB       GLN  71 -20.147 -11.451   3.418
  569   1HG   GLN  71          2HG       GLN  71 -21.788 -11.102   1.880
  570   2HG   GLN  71          1HG       GLN  71 -20.638 -10.915   0.555
  571   1HE2  GLN  71          1HE2      GLN  71 -20.468 -12.662  -0.869
  572   2HE2  GLN  71          2HE2      GLN  71 -21.059 -14.223  -0.558
  573    H    GLY  72           HN       GLY  72 -18.408  -8.664   4.035
  574   1HA   GLY  72          2HA       GLY  72 -17.061  -9.092   6.048
  575   2HA   GLY  72          1HA       GLY  72 -16.071 -10.194   5.088
  576    H    ALA  73           HN       ALA  73 -15.912  -8.422   2.772
  577    HA   ALA  73           HA       ALA  73 -14.054  -6.385   3.921
  578   1HB   ALA  73          1HB       ALA  73 -13.362  -6.597   1.271
  579   2HB   ALA  73          2HB       ALA  73 -13.873  -8.244   1.640
  580   3HB   ALA  73          3HB       ALA  73 -12.587  -7.489   2.580
  581    H    VAL  74           HN       VAL  74 -14.232  -4.285   3.244
  582    HA   VAL  74           HA       VAL  74 -16.758  -3.310   2.312
  583    HB   VAL  74           HB       VAL  74 -14.095  -1.883   2.123
  584   1HG1  VAL  74          1HG1      VAL  74 -16.956  -1.102   1.911
  585   2HG1  VAL  74          2HG1      VAL  74 -15.540  -0.408   1.123
  586   3HG1  VAL  74          3HG1      VAL  74 -15.903  -0.004   2.802
  587   1HG2  VAL  74          1HG2      VAL  74 -14.234  -2.639   4.376
  588   2HG2  VAL  74          2HG2      VAL  74 -15.968  -2.331   4.451
  589   3HG2  VAL  74          3HG2      VAL  74 -14.834  -0.981   4.412
  590    H    VAL  75           HN       VAL  75 -17.146  -2.146   0.195
  591    HA   VAL  75           HA       VAL  75 -15.341  -2.932  -2.010
  592    HB   VAL  75           HB       VAL  75 -18.300  -3.619  -1.963
  593   1HG1  VAL  75          1HG1      VAL  75 -17.311  -4.893  -4.119
  594   2HG1  VAL  75          2HG1      VAL  75 -16.219  -3.508  -4.091
  595   3HG1  VAL  75          3HG1      VAL  75 -17.961  -3.256  -4.207
  596   1HG2  VAL  75          1HG2      VAL  75 -15.786  -5.200  -1.549
  597   2HG2  VAL  75          2HG2      VAL  75 -17.146  -5.968  -2.368
  598   3HG2  VAL  75          3HG2      VAL  75 -17.343  -5.344  -0.730
  599    H    VAL  76           HN       VAL  76 -15.192  -1.222  -3.423
  600    HA   VAL  76           HA       VAL  76 -17.481   0.663  -3.637
  601    HB   VAL  76           HB       VAL  76 -15.902   2.594  -3.424
  602   1HG1  VAL  76          1HG1      VAL  76 -15.433   1.307  -0.842
  603   2HG1  VAL  76          2HG1      VAL  76 -17.086   1.075  -1.408
  604   3HG1  VAL  76          3HG1      VAL  76 -16.436   2.704  -1.231
  605   1HG2  VAL  76          1HG2      VAL  76 -13.681   2.230  -3.392
  606   2HG2  VAL  76          2HG2      VAL  76 -13.980   0.500  -3.549
  607   3HG2  VAL  76          3HG2      VAL  76 -13.839   1.229  -1.949
  608    H    HIS  77           HN       HIS  77 -17.229   2.109  -5.559
  609    HA   HIS  77           HA       HIS  77 -15.281   1.075  -7.571
  610   1HB   HIS  77          2HB       HIS  77 -18.111   1.768  -8.350
  611   2HB   HIS  77          1HB       HIS  77 -16.927   0.813  -9.240
  612    HD1  HIS  77           HD1      HIS  77 -16.077  -1.170  -7.043
  613    HD2  HIS  77           HD2      HIS  77 -20.045  -0.151  -7.810
  614    HE1  HIS  77           HE1      HIS  77 -17.490  -3.079  -6.162
  615    H    ASP  78           HN       ASP  78 -15.376   3.547  -5.913
  616    HA   ASP  78           HA       ASP  78 -14.807   5.438  -8.026
  617   1HB   ASP  78          2HB       ASP  78 -17.471   5.298  -7.535
  618   2HB   ASP  78          1HB       ASP  78 -17.000   6.501  -6.334
  619    H    VAL  79           HN       VAL  79 -12.956   6.164  -7.083
  620    HA   VAL  79           HA       VAL  79 -12.161   6.236  -4.454
  621    HB   VAL  79           HB       VAL  79 -11.671   8.420  -6.499
  622   1HG1  VAL  79          1HG1      VAL  79  -9.431   8.358  -5.029
  623   2HG1  VAL  79          2HG1      VAL  79 -10.573   7.831  -3.790
  624   3HG1  VAL  79          3HG1      VAL  79 -10.802   9.382  -4.600
  625   1HG2  VAL  79          1HG2      VAL  79 -10.976   5.684  -6.529
  626   2HG2  VAL  79          2HG2      VAL  79  -9.511   6.542  -6.056
  627   3HG2  VAL  79          3HG2      VAL  79 -10.326   6.956  -7.562
  628    H    ALA  80           HN       ALA  80 -14.443   8.459  -5.965
  629    HA   ALA  80           HA       ALA  80 -14.470  10.496  -3.985
  630   1HB   ALA  80          1HB       ALA  80 -16.020   9.785  -6.268
  631   2HB   ALA  80          2HB       ALA  80 -16.019  11.317  -5.395
  632   3HB   ALA  80          3HB       ALA  80 -17.140  10.038  -4.929
  633    H    ALA  81           HN       ALA  81 -16.327   7.460  -4.189
  634    HA   ALA  81           HA       ALA  81 -17.821   7.875  -1.774
  635   1HB   ALA  81          1HB       ALA  81 -18.771   6.163  -2.983
  636   2HB   ALA  81          2HB       ALA  81 -17.752   5.190  -1.923
  637   3HB   ALA  81          3HB       ALA  81 -17.214   5.568  -3.559
  638    H    VAL  82           HN       VAL  82 -14.788   6.094  -2.419
  639    HA   VAL  82           HA       VAL  82 -14.334   5.129   0.199
  640    HB   VAL  82           HB       VAL  82 -12.139   6.133  -1.626
  641   1HG1  VAL  82          1HG1      VAL  82 -11.362   3.728  -0.602
  642   2HG1  VAL  82          2HG1      VAL  82 -12.370   4.333   0.713
  643   3HG1  VAL  82          3HG1      VAL  82 -10.993   5.280   0.149
  644   1HG2  VAL  82          1HG2      VAL  82 -12.669   3.358  -2.046
  645   2HG2  VAL  82          2HG2      VAL  82 -12.785   4.674  -3.213
  646   3HG2  VAL  82          3HG2      VAL  82 -14.190   4.226  -2.249
  647    H    PHE  83           HN       PHE  83 -13.416   8.256  -1.254
  648    HA   PHE  83           HA       PHE  83 -11.976   9.281   0.971
  649   1HB   PHE  83          2HB       PHE  83 -13.373  10.458  -1.382
  650   2HB   PHE  83          1HB       PHE  83 -13.017  11.544  -0.040
  651    HD1  PHE  83           HD1      PHE  83 -11.718  10.150  -3.008
  652    HD2  PHE  83           HD2      PHE  83 -10.573  11.269   0.974
  653    HE1  PHE  83           HE1      PHE  83  -9.347  10.298  -3.726
  654    HE2  PHE  83           HE2      PHE  83  -8.209  11.414   0.255
  655    HZ   PHE  83           HZ       PHE  83  -7.598  10.922  -2.093
  656    H    ALA  84           HN       ALA  84 -15.435   9.065   0.360
  657    HA   ALA  84           HA       ALA  84 -16.264  10.890   2.421
  658   1HB   ALA  84          1HB       ALA  84 -17.912   8.490   1.691
  659   2HB   ALA  84          2HB       ALA  84 -17.625   9.736   0.475
  660   3HB   ALA  84          3HB       ALA  84 -18.429  10.150   1.989
  661    H    TYR  85           HN       TYR  85 -16.191   7.302   2.423
  662    HA   TYR  85           HA       TYR  85 -16.921   6.767   5.022
  663   1HB   TYR  85          2HB       TYR  85 -16.000   5.234   3.050
  664   2HB   TYR  85          1HB       TYR  85 -14.519   5.314   4.004
  665    HD1  TYR  85           HD1      TYR  85 -18.209   4.826   4.517
  666    HD2  TYR  85           HD2      TYR  85 -14.222   3.721   5.676
  667    HE1  TYR  85           HE1      TYR  85 -19.132   3.146   6.091
  668    HE2  TYR  85           HE2      TYR  85 -15.145   2.041   7.251
  669    HH   TYR  85           HH       TYR  85 -17.132   0.787   7.645
  670    H    ALA  86           HN       ALA  86 -13.494   7.320   4.064
  671    HA   ALA  86           HA       ALA  86 -12.413   7.251   6.675
  672   1HB   ALA  86          1HB       ALA  86 -10.842   7.275   4.925
  673   2HB   ALA  86          2HB       ALA  86 -10.660   8.867   5.661
  674   3HB   ALA  86          3HB       ALA  86 -11.575   8.686   4.164
  675    H    LYS  87           HN       LYS  87 -13.735  10.032   4.879
  676    HA   LYS  87           HA       LYS  87 -13.175  11.987   6.899
  677   1HB   LYS  87          2HB       LYS  87 -14.693  11.840   4.413
  678   2HB   LYS  87          1HB       LYS  87 -15.532  12.807   5.626
  679   1HG   LYS  87          2HG       LYS  87 -12.589  13.215   5.157
  680   2HG   LYS  87          1HG       LYS  87 -13.766  13.966   4.078
  681   1HD   LYS  87          2HD       LYS  87 -14.911  14.757   6.294
  682   2HD   LYS  87          1HD       LYS  87 -13.336  14.431   7.019
  683   1HE   LYS  87          2HE       LYS  87 -12.341  16.194   5.967
  684   2HE   LYS  87          1HE       LYS  87 -13.268  15.961   4.484
  685   1HZ   LYS  87          1HE       LYS  87 -15.096  17.082   5.368
  686   2HZ   LYS  87          2HE       LYS  87 -13.765  18.020   5.851
  687   3HZ   LYS  87          3HE       LYS  87 -14.521  16.979   6.960
  688    H    GLN  88           HN       GLN  88 -15.667   9.575   6.553
  689    HA   GLN  88           HA       GLN  88 -17.307  10.785   8.688
  690   1HB   GLN  88          2HB       GLN  88 -17.772   8.965   6.519
  691   2HB   GLN  88          1HB       GLN  88 -18.251   8.185   8.026
  692   1HG   GLN  88          2HG       GLN  88 -20.193   9.356   7.443
  693   2HG   GLN  88          1HG       GLN  88 -19.400  10.480   8.547
  694   1HE2  GLN  88          1HE2      GLN  88 -19.406   9.709   5.014
  695   2HE2  GLN  88          2HE2      GLN  88 -19.293  11.328   4.516
  696    H    HIS  89           HN       HIS  89 -14.809   8.340   8.409
  697    HA   HIS  89           HA       HIS  89 -15.617   7.134  10.987
  698   1HB   HIS  89          2HB       HIS  89 -13.807   6.405   8.748
  699   2HB   HIS  89          1HB       HIS  89 -13.298   5.891  10.356
  700    HD1  HIS  89           HD1      HIS  89 -14.198   3.665  10.992
  701    HD2  HIS  89           HD2      HIS  89 -16.783   5.662   8.403
  702    HE1  HIS  89           HE1      HIS  89 -16.150   2.105  10.586
  703    HA   PRO  90           HA       PRO  90 -12.693   9.957  12.975
  704   1HB   PRO  90          2HB       PRO  90 -13.617   9.350  15.522
  705   2HB   PRO  90          1HB       PRO  90 -14.274  10.615  14.473
  706   1HG   PRO  90          2HG       PRO  90 -15.509   8.146  15.296
  707   2HG   PRO  90          1HG       PRO  90 -16.203   9.467  14.346
  708   1HD   PRO  90          2HD       PRO  90 -15.193   6.888  13.430
  709   2HD   PRO  90          1HD       PRO  90 -16.139   8.097  12.545
  710    H    ASP  91           HN       ASP  91 -12.694   6.653  12.830
  711    HA   ASP  91           HA       ASP  91 -10.194   6.504  14.429
  712   1HB   ASP  91          2HB       ASP  91 -12.497   5.549  15.512
  713   2HB   ASP  91          1HB       ASP  91 -11.959   4.127  14.617
  714    H    GLN  92           HN       GLN  92 -11.408   6.291  11.502
  715    HA   GLN  92           HA       GLN  92  -9.493   4.205  10.652
  716   1HB   GLN  92          2HB       GLN  92 -12.254   3.673  10.816
  717   2HB   GLN  92          1HB       GLN  92 -11.957   4.004   9.111
  718   1HG   GLN  92          2HG       GLN  92 -11.009   1.982   8.858
  719   2HG   GLN  92          1HG       GLN  92  -9.829   2.354  10.113
  720   1HE2  GLN  92          1HE2      GLN  92 -13.204   1.179   9.701
  721   2HE2  GLN  92          2HE2      GLN  92 -13.216   0.253  11.123
  722    H    GLU  93           HN       GLU  93  -8.220   5.691   9.492
  723    HA   GLU  93           HA       GLU  93  -9.563   7.729   7.857
  724   1HB   GLU  93          2HB       GLU  93  -6.693   7.111   8.547
  725   2HB   GLU  93          1HB       GLU  93  -7.101   8.284   7.296
  726   1HG   GLU  93          HG2       GLU  93  -7.994   9.785   8.791
  727   2HG   GLU  93          HG1       GLU  93  -8.532   8.521   9.898
  728    H    LEU  94           HN       LEU  94  -7.819   7.901   5.716
  729    HA   LEU  94           HA       LEU  94  -8.607   5.491   4.155
  730   1HB   LEU  94          2HB       LEU  94  -9.069   8.073   3.568
  731   2HB   LEU  94          1HB       LEU  94  -7.481   7.907   2.827
  732    HG   LEU  94           HG       LEU  94  -8.570   5.660   1.881
  733   1HD1  LEU  94          1HD1      LEU  94 -10.794   7.192   2.987
  734   2HD1  LEU  94          2HD1      LEU  94 -10.771   5.538   2.381
  735   3HD1  LEU  94          3HD1      LEU  94 -11.004   6.884   1.266
  736   1HD2  LEU  94          1HD2      LEU  94  -9.539   7.394   0.023
  737   2HD2  LEU  94          2HD2      LEU  94  -7.825   7.015   0.190
  738   3HD2  LEU  94          3HD2      LEU  94  -8.482   8.472   0.936
  739    H    VAL  95           HN       VAL  95  -7.000   4.007   3.903
  740    HA   VAL  95           HA       VAL  95  -4.200   5.033   3.633
  741    HB   VAL  95           HB       VAL  95  -5.018   2.342   4.768
  742   1HG1  VAL  95          1HG1      VAL  95  -2.399   3.449   5.445
  743   2HG1  VAL  95          2HG1      VAL  95  -2.603   3.222   3.708
  744   3HG1  VAL  95          3HG1      VAL  95  -2.813   1.859   4.807
  745   1HG2  VAL  95          1HG2      VAL  95  -5.746   3.902   6.393
  746   2HG2  VAL  95          2HG2      VAL  95  -4.384   4.981   6.088
  747   3HG2  VAL  95          3HG2      VAL  95  -4.128   3.452   6.929
  748    H    ILE  96           HN       ILE  96  -3.242   4.484   1.728
  749    HA   ILE  96           HA       ILE  96  -4.752   2.789  -0.139
  750    HB   ILE  96           HB       ILE  96  -2.068   4.095  -0.626
  751   1HG1  ILE  96          2HG1      ILE  96  -3.663   5.803   0.191
  752   2HG1  ILE  96          1HG1      ILE  96  -3.333   6.023  -1.525
  753   1HG2  ILE  96          1HG2      ILE  96  -3.911   4.045  -2.839
  754   2HG2  ILE  96          2HG2      ILE  96  -3.775   2.425  -2.154
  755   3HG2  ILE  96          3HG2      ILE  96  -2.334   3.275  -2.698
  756   1HD1  ILE  96          1HD1      ILE  96  -5.738   4.586  -0.366
  757   2HD1  ILE  96          2HD1      ILE  96  -5.408   4.827  -2.082
  758   3HD1  ILE  96          3HD1      ILE  96  -5.746   6.216  -1.045
  759    H    ALA  97           HN       ALA  97  -4.010   0.829  -0.990
  760    HA   ALA  97           HA       ALA  97  -1.570  -0.322   0.291
  761   1HB   ALA  97          1HB       ALA  97  -2.865  -2.556   0.085
  762   2HB   ALA  97          2HB       ALA  97  -4.302  -1.546  -0.071
  763   3HB   ALA  97          3HB       ALA  97  -3.321  -1.463   1.392
  764    H    GLY  98           HN       GLY  98  -2.970   0.651  -2.545
  765   1HA   GLY  98          2HA       GLY  98  -1.822   0.448  -4.647
  766   2HA   GLY  98          1HA       GLY  98  -1.127  -1.073  -4.099
  767    H    GLY  99           HN       GLY  99  -3.486  -2.394  -6.453
  768   1HA   GLY  99          2HA       GLY  99  -0.730  -2.090  -5.663
  769   2HA   GLY  99          1HA       GLY  99  -1.306  -2.634  -7.233
  770    H    ALA 100           HN       ALA 100  -0.074  -1.379  -8.575
  771    HA   ALA 100           HA       ALA 100   0.639   1.351  -8.128
  772   1HB   ALA 100          1HB       ALA 100   0.332   0.441 -10.938
  773   2HB   ALA 100          2HB       ALA 100   1.410  -0.517  -9.923
  774   3HB   ALA 100          3HB       ALA 100   1.709   1.207 -10.145
  775    H    GLN 101           HN       GLN 101  -2.082  -0.098  -9.897
  776    HA   GLN 101           HA       GLN 101  -3.092   2.254 -11.075
  777   1HB   GLN 101          2HB       GLN 101  -4.167  -0.399 -10.373
  778   2HB   GLN 101          1HB       GLN 101  -5.383   0.878 -10.447
  779   1HG   GLN 101          2HG       GLN 101  -3.360   0.755 -12.643
  780   2HG   GLN 101          1HG       GLN 101  -4.643  -0.455 -12.637
  781   1HE2  GLN 101          1HE2      GLN 101  -6.875   0.307 -12.886
  782   2HE2  GLN 101          2HE2      GLN 101  -7.211   1.872 -13.450
  783    H    ILE 102           HN       ILE 102  -3.607   1.001  -7.737
  784    HA   ILE 102           HA       ILE 102  -5.499   3.111  -7.127
  785    HB   ILE 102           HB       ILE 102  -3.921   1.358  -5.225
  786   1HG1  ILE 102          2HG1      ILE 102  -5.138  -0.018  -6.858
  787   2HG1  ILE 102          1HG1      ILE 102  -5.929  -0.109  -5.285
  788   1HG2  ILE 102          1HG2      ILE 102  -6.672   2.485  -4.770
  789   2HG2  ILE 102          2HG2      ILE 102  -5.252   3.483  -4.464
  790   3HG2  ILE 102          3HG2      ILE 102  -5.472   1.971  -3.585
  791   1HD1  ILE 102          1HD1      ILE 102  -6.774   1.654  -7.603
  792   2HD1  ILE 102          2HD1      ILE 102  -7.540   1.634  -6.015
  793   3HD1  ILE 102          3HD1      ILE 102  -7.607   0.205  -7.044
  794    H    PHE 103           HN       PHE 103  -1.985   2.833  -6.969
  795    HA   PHE 103           HA       PHE 103  -1.653   5.018  -5.091
  796   1HB   PHE 103          2HB       PHE 103   0.244   3.781  -7.113
  797   2HB   PHE 103          1HB       PHE 103   0.714   5.023  -5.958
  798    HD1  PHE 103           HD1      PHE 103   1.416   1.863  -6.386
  799    HD2  PHE 103           HD2      PHE 103  -0.834   4.181  -3.556
  800    HE1  PHE 103           HE1      PHE 103   1.797   0.124  -4.659
  801    HE2  PHE 103           HE2      PHE 103  -0.458   2.441  -1.831
  802    HZ   PHE 103           HZ       PHE 103   0.858   0.413  -2.381
  803    H    THR 104           HN       THR 104  -2.249   4.776  -8.512
  804    HA   THR 104           HA       THR 104  -1.273   7.463  -9.122
  805    HB   THR 104           HB       THR 104  -3.180   5.991 -10.904
  806    HG1  THR 104           HG1      THR 104  -0.726   5.085 -10.007
  807   1HG2  THR 104          1HG2      THR 104  -2.423   8.033 -11.802
  808   2HG2  THR 104          2HG2      THR 104  -1.378   6.829 -12.557
  809   3HG2  THR 104          3HG2      THR 104  -0.782   7.789 -11.203
  810    H    ALA 105           HN       ALA 105  -4.528   5.958  -8.931
  811    HA   ALA 105           HA       ALA 105  -5.983   8.340  -9.437
  812   1HB   ALA 105          1HB       ALA 105  -7.275   6.588  -7.479
  813   2HB   ALA 105          2HB       ALA 105  -6.626   5.700  -8.858
  814   3HB   ALA 105          3HB       ALA 105  -7.781   7.007  -9.116
  815    H    PHE 106           HN       PHE 106  -4.492   7.155  -6.469
  816    HA   PHE 106           HA       PHE 106  -5.729   9.389  -4.949
  817   1HB   PHE 106          2HB       PHE 106  -4.102   6.987  -4.086
  818   2HB   PHE 106          1HB       PHE 106  -4.655   8.242  -2.978
  819    HD1  PHE 106           HD1      PHE 106  -6.817   8.152  -2.065
  820    HD2  PHE 106           HD2      PHE 106  -5.896   5.820  -5.546
  821    HE1  PHE 106           HE1      PHE 106  -9.028   7.046  -1.910
  822    HE2  PHE 106           HE2      PHE 106  -8.105   4.712  -5.392
  823    HZ   PHE 106           HZ       PHE 106  -9.673   5.326  -3.574
  824    H    LYS 107           HN       LYS 107  -2.904   8.900  -6.736
  825    HA   LYS 107           HA       LYS 107  -0.864   9.921  -5.108
  826   1HB   LYS 107          2HB       LYS 107   0.343  10.458  -7.083
  827   2HB   LYS 107          1HB       LYS 107  -0.650   9.066  -7.496
  828   1HG   LYS 107          2HG       LYS 107  -2.029  10.294  -8.892
  829   2HG   LYS 107          1HG       LYS 107  -1.781  11.792  -8.009
  830   1HD   LYS 107          2HD       LYS 107  -0.201  12.397  -9.478
  831   2HD   LYS 107          1HD       LYS 107   0.753  10.985  -9.023
  832   1HE   LYS 107          2HE       LYS 107  -0.157   9.662 -10.743
  833   2HE   LYS 107          1HE       LYS 107  -1.549  10.725 -10.950
  834   1HZ   LYS 107          1HE       LYS 107   0.129  12.465 -11.642
  835   2HZ   LYS 107          2HE       LYS 107  -0.138  11.193 -12.737
  836   3HZ   LYS 107          3HE       LYS 107   1.255  11.202 -11.764
  837    H    ASP 108           HN       ASP 108  -3.383  11.809  -6.832
  838    HA   ASP 108           HA       ASP 108  -2.204  14.363  -6.215
  839   1HB   ASP 108          2HB       ASP 108  -4.205  13.565  -7.852
  840   2HB   ASP 108          1HB       ASP 108  -5.154  14.172  -6.495
  841    H    ASP 109           HN       ASP 109  -4.618  12.342  -4.566
  842    HA   ASP 109           HA       ASP 109  -4.761  14.339  -2.366
  843   1HB   ASP 109          2HB       ASP 109  -6.464  12.009  -3.220
  844   2HB   ASP 109          1HB       ASP 109  -6.584  12.643  -1.579
  845    H    VAL 110           HN       VAL 110  -2.668  13.857  -1.413
  846    HA   VAL 110           HA       VAL 110  -2.576  11.174  -0.093
  847    HB   VAL 110           HB       VAL 110  -0.183  12.824  -0.945
  848   1HG1  VAL 110          1HG1      VAL 110   1.107  10.935  -0.318
  849   2HG1  VAL 110          2HG1      VAL 110  -0.312   9.891  -0.236
  850   3HG1  VAL 110          3HG1      VAL 110  -0.058  11.132   0.990
  851   1HG2  VAL 110          1HG2      VAL 110  -0.408  11.998  -3.025
  852   2HG2  VAL 110          2HG2      VAL 110  -1.941  11.253  -2.561
  853   3HG2  VAL 110          3HG2      VAL 110  -0.435  10.358  -2.382
  854    H    ASP 111           HN       ASP 111  -1.785  11.170   2.070
  855    HA   ASP 111           HA       ASP 111  -1.394  13.858   3.313
  856   1HB   ASP 111          2HB       ASP 111  -3.673  12.339   3.656
  857   2HB   ASP 111          1HB       ASP 111  -2.691  11.858   5.039
  858    H    THR 112           HN       THR 112  -0.817  10.372   3.446
  859    HA   THR 112           HA       THR 112   1.688  10.916   4.958
  860    HB   THR 112           HB       THR 112  -0.167   8.633   5.668
  861    HG1  THR 112           HG1      THR 112   0.195  11.124   6.964
  862   1HG2  THR 112          1HG2      THR 112   1.569   9.448   7.771
  863   2HG2  THR 112          2HG2      THR 112   2.541   9.285   6.307
  864   3HG2  THR 112          3HG2      THR 112   1.578   7.924   6.882
  865    H    LEU 113           HN       LEU 113   3.385   9.745   4.138
  866    HA   LEU 113           HA       LEU 113   2.706   7.615   2.142
  867   1HB   LEU 113          2HB       LEU 113   5.139   9.421   2.222
  868   2HB   LEU 113          1HB       LEU 113   4.808   8.193   1.002
  869    HG   LEU 113           HG       LEU 113   2.755  10.311   1.561
  870   1HD1  LEU 113          1HD1      LEU 113   3.783  11.743  -0.149
  871   2HD1  LEU 113          2HD1      LEU 113   5.127  10.612  -0.308
  872   3HD1  LEU 113          3HD1      LEU 113   4.899  11.505   1.196
  873   1HD2  LEU 113          1HD2      LEU 113   1.799   8.973  -0.008
  874   2HD2  LEU 113          2HD2      LEU 113   3.341   8.240  -0.454
  875   3HD2  LEU 113          3HD2      LEU 113   2.871   9.795  -1.142
  876    H    LEU 114           HN       LEU 114   3.456   5.597   2.567
  877    HA   LEU 114           HA       LEU 114   5.665   5.312   4.559
  878   1HB   LEU 114          2HB       LEU 114   3.346   3.394   4.232
  879   2HB   LEU 114          1HB       LEU 114   4.555   3.406   5.516
  880    HG   LEU 114           HG       LEU 114   2.891   5.863   5.096
  881   1HD1  LEU 114          1HD1      LEU 114   1.481   3.641   5.182
  882   2HD1  LEU 114          2HD1      LEU 114   1.006   5.023   6.168
  883   3HD1  LEU 114          3HD1      LEU 114   1.891   3.684   6.896
  884   1HD2  LEU 114          1HD2      LEU 114   3.177   5.985   7.558
  885   2HD2  LEU 114          2HD2      LEU 114   4.728   5.869   6.726
  886   3HD2  LEU 114          3HD2      LEU 114   4.046   4.451   7.521
  887    H    VAL 115           HN       VAL 115   7.317   4.780   3.236
  888    HA   VAL 115           HA       VAL 115   6.860   2.554   1.276
  889    HB   VAL 115           HB       VAL 115   7.350   4.712   0.187
  890   1HG1  VAL 115          1HG1      VAL 115  10.055   4.521   1.527
  891   2HG1  VAL 115          2HG1      VAL 115   8.763   5.582   2.086
  892   3HG1  VAL 115          3HG1      VAL 115   9.469   5.818   0.487
  893   1HG2  VAL 115          1HG2      VAL 115   9.631   2.722  -0.017
  894   2HG2  VAL 115          2HG2      VAL 115   9.164   3.895  -1.248
  895   3HG2  VAL 115          3HG2      VAL 115   8.077   2.567  -0.839
  896    H    THR 116           HN       THR 116   8.245   0.837   1.261
  897    HA   THR 116           HA       THR 116  10.346   0.781   3.386
  898    HB   THR 116           HB       THR 116   9.434  -1.713   2.007
  899    HG1  THR 116           HG1      THR 116   7.644  -1.839   3.371
  900   1HG2  THR 116          1HG2      THR 116   9.530  -2.299   4.610
  901   2HG2  THR 116          2HG2      THR 116  10.553  -0.862   4.634
  902   3HG2  THR 116          3HG2      THR 116  10.988  -2.236   3.618
  903    H    ARG 117           HN       ARG 117  12.338   1.177   2.499
  904    HA   ARG 117           HA       ARG 117  12.829   0.362  -0.313
  905   1HB   ARG 117          2HB       ARG 117  14.258   2.200   1.606
  906   2HB   ARG 117          1HB       ARG 117  15.022   1.658   0.111
  907   1HG   ARG 117          2HG       ARG 117  12.951   2.471  -1.116
  908   2HG   ARG 117          1HG       ARG 117  12.447   3.226   0.396
  909   1HD   ARG 117          2HD       ARG 117  15.039   4.094   0.196
  910   2HD   ARG 117          1HD       ARG 117  14.559   4.040  -1.498
  911    HE   ARG 117           HE       ARG 117  13.499   5.861   0.540
  912   1HH1  ARG 117          1HH2      ARG 117  13.027   4.331  -2.543
  913   2HH1  ARG 117          2HH2      ARG 117  11.922   5.539  -3.102
  914   1HH2  ARG 117          1HH1      ARG 117  12.063   7.422  -0.202
  915   2HH2  ARG 117          2HH1      ARG 117  11.379   7.278  -1.787
  916    H    LEU 118           HN       LEU 118  13.632  -1.650  -0.576
  917    HA   LEU 118           HA       LEU 118  15.061  -3.001   1.608
  918   1HB   LEU 118          2HB       LEU 118  14.259  -3.857  -1.185
  919   2HB   LEU 118          1HB       LEU 118  15.192  -4.887  -0.102
  920    HG   LEU 118           HG       LEU 118  13.351  -4.611   1.607
  921   1HD1  LEU 118          1HD1      LEU 118  12.122  -3.172  -0.740
  922   2HD1  LEU 118          2HD1      LEU 118  12.210  -2.656   0.945
  923   3HD1  LEU 118          3HD1      LEU 118  11.112  -3.953   0.476
  924   1HD2  LEU 118          1HD2      LEU 118  12.141  -5.748  -0.893
  925   2HD2  LEU 118          2HD2      LEU 118  12.158  -6.412   0.741
  926   3HD2  LEU 118          3HD2      LEU 118  13.613  -6.479  -0.252
  927    H    ALA 119           HN       ALA 119  17.219  -3.944   1.287
  928    HA   ALA 119           HA       ALA 119  19.003  -2.060  -0.082
  929   1HB   ALA 119          1HB       ALA 119  19.684  -2.907   2.097
  930   2HB   ALA 119          2HB       ALA 119  20.807  -3.510   0.878
  931   3HB   ALA 119          3HB       ALA 119  19.557  -4.571   1.527
  932    H    GLY 120           HN       GLY 120  17.706  -5.282  -0.619
  933   1HA   GLY 120          2HA       GLY 120  19.624  -6.005  -2.679
  934   2HA   GLY 120          1HA       GLY 120  18.093  -6.823  -2.358
  935    H    SER 121           HN       SER 121  18.819  -6.407  -4.994
  936    HA   SER 121           HA       SER 121  16.939  -4.228  -5.814
  937   1HB   SER 121          2HB       SER 121  18.352  -3.912  -7.822
  938   2HB   SER 121          1HB       SER 121  19.251  -3.605  -6.340
  939    HG   SER 121           HG       SER 121  20.427  -4.943  -7.754
  940    H    PHE 122           HN       PHE 122  15.185  -5.083  -6.772
  941    HA   PHE 122           HA       PHE 122  15.481  -7.686  -8.213
  942   1HB   PHE 122          2HB       PHE 122  12.947  -6.506  -7.043
  943   2HB   PHE 122          1HB       PHE 122  13.169  -8.139  -7.675
  944    HD1  PHE 122           HD1      PHE 122  14.152  -9.868  -6.344
  945    HD2  PHE 122           HD2      PHE 122  14.199  -5.796  -4.983
  946    HE1  PHE 122           HE1      PHE 122  14.950 -10.620  -4.119
  947    HE2  PHE 122           HE2      PHE 122  14.993  -6.546  -2.757
  948    HZ   PHE 122           HZ       PHE 122  15.370  -8.959  -2.325
  949    H    GLU 123           HN       GLU 123  14.008  -7.943 -10.108
  950    HA   GLU 123           HA       GLU 123  13.608  -5.324 -11.505
  951   1HB   GLU 123          2HB       GLU 123  13.923  -6.661 -13.627
  952   2HB   GLU 123          1HB       GLU 123  15.365  -6.545 -12.618
  953   1HG   GLU 123          HG2       GLU 123  15.352  -8.768 -12.113
  954   2HG   GLU 123          HG1       GLU 123  13.592  -8.837 -12.016
  955    H    GLY 124           HN       GLY 124  11.837  -5.425 -13.195
  956   1HA   GLY 124          2HA       GLY 124   9.865  -7.471 -13.263
  957   2HA   GLY 124          1HA       GLY 124   9.374  -6.288 -12.049
  958    H    ASP 125           HN       ASP 125   7.554  -5.566 -13.373
  959    HA   ASP 125           HA       ASP 125   8.410  -3.747 -15.556
  960   1HB   ASP 125          2HB       ASP 125   6.866  -6.167 -15.870
  961   2HB   ASP 125          1HB       ASP 125   5.860  -4.773 -16.263
  962    H    THR 126           HN       THR 126   6.524  -4.431 -12.794
  963    HA   THR 126           HA       THR 126   4.900  -1.952 -13.189
  964    HB   THR 126           HB       THR 126   4.381  -4.106 -11.129
  965    HG1  THR 126           HG1      THR 126   2.745  -4.749 -12.712
  966   1HG2  THR 126          1HG2      THR 126   2.357  -3.032 -10.777
  967   2HG2  THR 126          2HG2      THR 126   2.324  -2.341 -12.400
  968   3HG2  THR 126          3HG2      THR 126   3.386  -1.654 -11.170
  969    H    LYS 127           HN       LYS 127   5.617  -0.246 -12.033
  970    HA   LYS 127           HA       LYS 127   7.066  -0.791  -9.476
  971   1HB   LYS 127          2HB       LYS 127   7.739   1.319 -11.548
  972   2HB   LYS 127          1HB       LYS 127   8.535   1.136  -9.985
  973   1HG   LYS 127          2HG       LYS 127   9.241  -1.144 -10.607
  974   2HG   LYS 127          1HG       LYS 127   8.450  -0.963 -12.172
  975   1HD   LYS 127          2HD       LYS 127   9.987   0.671 -12.897
  976   2HD   LYS 127          1HD       LYS 127  10.533   1.014 -11.254
  977   1HE   LYS 127          2HE       LYS 127  12.279  -0.335 -11.863
  978   2HE   LYS 127          1HE       LYS 127  11.158  -1.615 -11.401
  979   1HZ   LYS 127          1HE       LYS 127  11.985  -0.737 -14.061
  980   2HZ   LYS 127          2HE       LYS 127  10.382  -1.268 -13.881
  981   3HZ   LYS 127          3HE       LYS 127  11.672  -2.301 -13.485
  982    H    MET 128           HN       MET 128   7.072   1.175  -8.033
  983    HA   MET 128           HA       MET 128   4.403   2.103  -7.616
  984   1HB   MET 128          2HB       MET 128   6.603   2.008  -6.063
  985   2HB   MET 128          1HB       MET 128   6.653   3.711  -6.522
  986   1HG   MET 128          2HG       MET 128   3.979   2.710  -5.763
  987   2HG   MET 128          1HG       MET 128   5.159   2.733  -4.458
  988   1HE   MET 128          1HE       MET 128   3.529   5.089  -3.177
  989   2HE   MET 128          2HE       MET 128   2.788   3.904  -4.251
  990   3HE   MET 128          3HE       MET 128   2.525   5.623  -4.533
  991    H    ILE 129           HN       ILE 129   3.605   4.306  -7.787
  992    HA   ILE 129           HA       ILE 129   4.337   5.559 -10.300
  993    HB   ILE 129           HB       ILE 129   2.585   7.220  -9.640
  994   1HG1  ILE 129          2HG1      ILE 129   1.613   5.734  -7.349
  995   2HG1  ILE 129          1HG1      ILE 129   3.245   6.325  -7.046
  996   1HG2  ILE 129          1HG2      ILE 129   2.296   4.574 -10.370
  997   2HG2  ILE 129          2HG2      ILE 129   0.999   5.766 -10.339
  998   3HG2  ILE 129          3HG2      ILE 129   1.246   4.697  -8.958
  999   1HD1  ILE 129          1HD1      ILE 129   0.816   7.804  -6.961
 1000   2HD1  ILE 129          2HD1      ILE 129   1.736   8.401  -8.340
 1001   3HD1  ILE 129          3HD1      ILE 129   2.455   8.408  -6.731
 1002    HA   PRO 130           HA       PRO 130   7.100   8.742  -8.943
 1003   1HB   PRO 130          2HB       PRO 130   6.002  10.918 -10.366
 1004   2HB   PRO 130          1HB       PRO 130   7.231   9.785 -10.946
 1005   1HG   PRO 130          2HG       PRO 130   4.544  10.054 -11.845
 1006   2HG   PRO 130          1HG       PRO 130   5.756   8.880 -12.377
 1007   1HD   PRO 130          2HD       PRO 130   3.474   8.498 -10.593
 1008   2HD   PRO 130          1HD       PRO 130   4.473   7.284 -11.407
 1009    H    LEU 131           HN       LEU 131   6.706   9.176  -6.757
 1010    HA   LEU 131           HA       LEU 131   4.426  10.907  -6.020
 1011   1HB   LEU 131          2HB       LEU 131   6.391   9.201  -4.542
 1012   2HB   LEU 131          1HB       LEU 131   5.634  10.541  -3.678
 1013    HG   LEU 131           HG       LEU 131   4.011   8.575  -5.291
 1014   1HD1  LEU 131          1HD1      LEU 131   4.413   8.395  -2.305
 1015   2HD1  LEU 131          2HD1      LEU 131   5.458   7.517  -3.423
 1016   3HD1  LEU 131          3HD1      LEU 131   3.724   7.193  -3.396
 1017   1HD2  LEU 131          1HD2      LEU 131   3.407  10.496  -3.022
 1018   2HD2  LEU 131          2HD2      LEU 131   2.237   9.377  -3.719
 1019   3HD2  LEU 131          3HD2      LEU 131   2.912  10.672  -4.705
 1020    H    ASN 132           HN       ASN 132   4.797  12.886  -4.754
 1021    HA   ASN 132           HA       ASN 132   7.172  14.339  -5.755
 1022   1HB   ASN 132          2HB       ASN 132   4.455  15.012  -5.235
 1023   2HB   ASN 132          1HB       ASN 132   5.447  15.978  -4.148
 1024   1HD2  ASN 132          1HD2      ASN 132   7.299  17.214  -5.227
 1025   2HD2  ASN 132          2HD2      ASN 132   7.070  17.761  -6.818
 1026    H    TRP 133           HN       TRP 133   8.414  12.866  -4.136
 1027    HA   TRP 133           HA       TRP 133   8.291  13.092  -1.347
 1028   1HB   TRP 133          2HB       TRP 133  10.808  13.004  -3.038
 1029   2HB   TRP 133          1HB       TRP 133  10.693  12.565  -1.333
 1030    HD1  TRP 133           HD1      TRP 133  10.120  11.240  -4.788
 1031    HE1  TRP 133           HE1      TRP 133   9.211   8.832  -4.659
 1032    HE3  TRP 133           HE3      TRP 133   9.134  10.936   0.211
 1033    HZ2  TRP 133           HZ2      TRP 133   8.205   7.022  -2.697
 1034    HZ3  TRP 133           HZ3      TRP 133   8.201   8.857   1.182
 1035    HH2  TRP 133           HH2      TRP 133   7.735   6.900  -0.263
 1036    H    ASP 134           HN       ASP 134   9.547  15.424  -3.666
 1037    HA   ASP 134           HA       ASP 134  10.932  17.091  -1.791
 1038   1HB   ASP 134          2HB       ASP 134  10.356  17.128  -4.574
 1039   2HB   ASP 134          1HB       ASP 134   9.816  18.672  -3.914
 1040    H    ASP 135           HN       ASP 135   7.523  16.794  -2.596
 1041    HA   ASP 135           HA       ASP 135   6.860  19.314  -1.208
 1042   1HB   ASP 135          2HB       ASP 135   5.468  17.404  -2.961
 1043   2HB   ASP 135          1HB       ASP 135   4.468  18.026  -1.651
 1044    H    PHE 136           HN       PHE 136   7.360  16.058  -0.372
 1045    HA   PHE 136           HA       PHE 136   5.766  16.414   2.139
 1046   1HB   PHE 136          2HB       PHE 136   6.633  13.890   0.705
 1047   2HB   PHE 136          1HB       PHE 136   5.919  13.901   2.316
 1048    HD1  PHE 136           HD1      PHE 136   5.311  14.830  -1.234
 1049    HD2  PHE 136           HD2      PHE 136   3.570  14.120   2.623
 1050    HE1  PHE 136           HE1      PHE 136   3.052  14.880  -2.248
 1051    HE2  PHE 136           HE2      PHE 136   1.308  14.168   1.608
 1052    HZ   PHE 136           HZ       PHE 136   1.049  14.549  -0.826
 1053    H    THR 137           HN       THR 137   6.806  15.279   4.061
 1054    HA   THR 137           HA       THR 137   9.779  15.244   3.868
 1055    HB   THR 137           HB       THR 137   8.385  16.507   6.228
 1056    HG1  THR 137           HG1      THR 137   8.120  18.260   5.124
 1057   1HG2  THR 137          1HG2      THR 137  10.773  17.707   6.016
 1058   2HG2  THR 137          2HG2      THR 137  11.162  16.196   5.195
 1059   3HG2  THR 137          3HG2      THR 137  10.571  16.170   6.856
 1060    H    LYS 138           HN       LYS 138  10.632  13.489   4.912
 1061    HA   LYS 138           HA       LYS 138   8.858  11.518   6.047
 1062   1HB   LYS 138          2HB       LYS 138  11.216  11.259   4.897
 1063   2HB   LYS 138          1HB       LYS 138  11.817  11.474   6.542
 1064   1HG   LYS 138          2HG       LYS 138   9.842   9.682   7.003
 1065   2HG   LYS 138          1HG       LYS 138  10.294   9.214   5.364
 1066   1HD   LYS 138          2HD       LYS 138  12.359   9.641   7.522
 1067   2HD   LYS 138          1HD       LYS 138  11.561   8.085   7.295
 1068   1HE   LYS 138          2HE       LYS 138  12.834   7.608   5.499
 1069   2HE   LYS 138          1HE       LYS 138  12.488   9.170   4.761
 1070   1HZ   LYS 138          1HE       LYS 138  14.557   8.575   6.802
 1071   2HZ   LYS 138          2HE       LYS 138  14.154  10.143   6.286
 1072   3HZ   LYS 138          3HE       LYS 138  14.815   9.027   5.188
 1073    H    VAL 139           HN       VAL 139   8.031  11.569   8.057
 1074    HA   VAL 139           HA       VAL 139   9.299  13.301  10.101
 1075    HB   VAL 139           HB       VAL 139   7.195  12.867  11.380
 1076   1HG1  VAL 139          1HG1      VAL 139   7.078  14.830  10.109
 1077   2HG1  VAL 139          2HG1      VAL 139   5.674  13.931   9.533
 1078   3HG1  VAL 139          3HG1      VAL 139   7.155  13.960   8.577
 1079   1HG2  VAL 139          1HG2      VAL 139   5.623  11.810   9.223
 1080   2HG2  VAL 139          2HG2      VAL 139   5.887  11.118  10.823
 1081   3HG2  VAL 139          3HG2      VAL 139   6.986  10.725   9.501
 1082    H    SER 140           HN       SER 140   8.836   9.922   9.343
 1083    HA   SER 140           HA       SER 140  10.433   9.240  11.750
 1084   1HB   SER 140          2HB       SER 140   7.806   7.903  11.036
 1085   2HB   SER 140          1HB       SER 140   8.904   7.376  12.309
 1086    HG   SER 140           HG       SER 140   7.065   9.372  12.308
 1087    H    SER 141           HN       SER 141  11.848   7.570  11.372
 1088    HA   SER 141           HA       SER 141  11.460   5.833   9.007
 1089   1HB   SER 141          2HB       SER 141  14.201   6.600   8.968
 1090   2HB   SER 141          1HB       SER 141  12.983   6.893   7.733
 1091    HG   SER 141           HG       SER 141  13.460   8.498  10.031
 1092    H    ARG 142           HN       ARG 142  12.142   3.773   9.479
 1093    HA   ARG 142           HA       ARG 142  14.055   3.432  11.747
 1094   1HB   ARG 142          2HB       ARG 142  11.434   2.876  12.036
 1095   2HB   ARG 142          1HB       ARG 142  11.955   1.363  11.294
 1096   1HG   ARG 142          2HG       ARG 142  13.574   0.974  13.026
 1097   2HG   ARG 142          1HG       ARG 142  13.345   2.595  13.685
 1098   1HD   ARG 142          2HD       ARG 142  11.259   2.077  14.595
 1099   2HD   ARG 142          1HD       ARG 142  10.994   0.741  13.474
 1100    HE   ARG 142           HE       ARG 142  13.219   0.366  15.363
 1101   1HH1  ARG 142          1HH2      ARG 142   9.861  -0.138  14.617
 1102   2HH1  ARG 142          2HH2      ARG 142   9.708  -1.485  15.690
 1103   1HH2  ARG 142          1HH1      ARG 142  12.998  -1.380  16.758
 1104   2HH2  ARG 142          2HH1      ARG 142  11.470  -2.184  16.896
 1105    H    THR 143           HN       THR 143  15.765   2.107  11.177
 1106    HA   THR 143           HA       THR 143  15.487   0.586   8.622
 1107    HB   THR 143           HB       THR 143  18.096   1.291   9.969
 1108    HG1  THR 143           HG1      THR 143  17.360   3.268   9.633
 1109   1HG2  THR 143          1HG2      THR 143  17.283  -0.079   7.572
 1110   2HG2  THR 143          2HG2      THR 143  18.910   0.162   8.205
 1111   3HG2  THR 143          3HG2      THR 143  18.192   1.368   7.138
 1112    H    VAL 144           HN       VAL 144  15.667  -1.618   8.720
 1113    HA   VAL 144           HA       VAL 144  16.704  -2.785  11.267
 1114    HB   VAL 144           HB       VAL 144  14.268  -2.948  11.272
 1115   1HG1  VAL 144          1HG1      VAL 144  14.728  -3.651   8.453
 1116   2HG1  VAL 144          2HG1      VAL 144  13.309  -2.944   9.221
 1117   3HG1  VAL 144          3HG1      VAL 144  13.556  -4.690   9.263
 1118   1HG2  VAL 144          1HG2      VAL 144  14.683  -4.928  12.273
 1119   2HG2  VAL 144          2HG2      VAL 144  16.049  -5.249  11.208
 1120   3HG2  VAL 144          3HG2      VAL 144  14.418  -5.696  10.709
 1121    H    GLU 145           HN       GLU 145  18.249  -4.303  10.971
 1122    HA   GLU 145           HA       GLU 145  18.981  -5.044   8.215
 1123   1HB   GLU 145          2HB       GLU 145  20.962  -6.092   9.302
 1124   2HB   GLU 145          1HB       GLU 145  20.775  -4.398   9.753
 1125   1HG   GLU 145          HG2       GLU 145  19.268  -5.713  11.672
 1126   2HG   GLU 145          HG1       GLU 145  20.634  -6.800  11.431
 1127    H    ASP 146           HN       ASP 146  19.381  -7.351   7.681
 1128    HA   ASP 146           HA       ASP 146  17.808  -9.265   9.327
 1129   1HB   ASP 146          2HB       ASP 146  16.765  -8.111   7.028
 1130   2HB   ASP 146          1HB       ASP 146  17.400  -9.652   6.452
 1131    H    THR 147           HN       THR 147  18.321 -11.520   8.830
 1132    HA   THR 147           HA       THR 147  21.089 -12.039   8.480
 1133    HB   THR 147           HB       THR 147  20.214 -14.444   8.033
 1134    HG1  THR 147           HG1      THR 147  18.174 -14.400   7.548
 1135   1HG2  THR 147          1HG2      THR 147  19.547 -12.856  10.522
 1136   2HG2  THR 147          2HG2      THR 147  20.997 -13.813  10.218
 1137   3HG2  THR 147          3HG2      THR 147  19.442 -14.615  10.438
 1138    H    ASN 148           HN       ASN 148  18.707 -11.337   6.145
 1139    HA   ASN 148           HA       ASN 148  20.408 -12.515   3.987
 1140   1HB   ASN 148          2HB       ASN 148  17.779 -12.969   4.310
 1141   2HB   ASN 148          1HB       ASN 148  17.694 -11.499   3.340
 1142   1HD2  ASN 148          1HD2      ASN 148  18.067 -11.704   1.107
 1143   2HD2  ASN 148          2HD2      ASN 148  18.637 -13.119   0.362
 1144    HA   PRO 149           HA       PRO 149  21.955  -8.401   3.216
 1145   1HB   PRO 149          2HB       PRO 149  22.344  -9.199   0.449
 1146   2HB   PRO 149          1HB       PRO 149  23.557  -8.862   1.689
 1147   1HG   PRO 149          2HG       PRO 149  22.706 -11.404   0.683
 1148   2HG   PRO 149          1HG       PRO 149  23.950 -11.061   1.893
 1149   1HD   PRO 149          2HD       PRO 149  21.470 -12.290   2.364
 1150   2HD   PRO 149          1HD       PRO 149  22.582 -11.663   3.591
 1151    H    ALA 150           HN       ALA 150  19.848  -9.953   0.774
 1152    HA   ALA 150           HA       ALA 150  18.940  -7.366  -0.228
 1153   1HB   ALA 150          1HB       ALA 150  18.174 -10.227  -0.793
 1154   2HB   ALA 150          2HB       ALA 150  18.977  -9.074  -1.859
 1155   3HB   ALA 150          3HB       ALA 150  17.266  -8.880  -1.478
 1156    H    LEU 151           HN       LEU 151  17.644  -9.829   1.990
 1157    HA   LEU 151           HA       LEU 151  15.011  -8.672   2.125
 1158   1HB   LEU 151          2HB       LEU 151  16.447 -10.394   4.162
 1159   2HB   LEU 151          1HB       LEU 151  14.718 -10.073   4.129
 1160    HG   LEU 151           HG       LEU 151  16.286 -11.452   1.926
 1161   1HD1  LEU 151          1HD1      LEU 151  14.157 -12.649   3.698
 1162   2HD1  LEU 151          2HD1      LEU 151  15.861 -12.683   4.152
 1163   3HD1  LEU 151          3HD1      LEU 151  15.325 -13.484   2.674
 1164   1HD2  LEU 151          1HD2      LEU 151  14.086 -10.024   1.466
 1165   2HD2  LEU 151          2HD2      LEU 151  13.296 -11.448   2.137
 1166   3HD2  LEU 151          3HD2      LEU 151  14.313 -11.597   0.706
 1167    H    THR 152           HN       THR 152  17.892  -7.335   3.116
 1168    HA   THR 152           HA       THR 152  17.035  -6.182   5.652
 1169    HB   THR 152           HB       THR 152  19.169  -5.163   3.746
 1170    HG1  THR 152           HG1      THR 152  19.598  -7.297   4.247
 1171   1HG2  THR 152          1HG2      THR 152  19.306  -3.539   5.305
 1172   2HG2  THR 152          2HG2      THR 152  19.953  -4.773   6.387
 1173   3HG2  THR 152          3HG2      THR 152  18.229  -4.401   6.403
 1174    H    HIS 153           HN       HIS 153  16.299  -3.921   5.910
 1175    HA   HIS 153           HA       HIS 153  15.866  -2.261   3.585
 1176   1HB   HIS 153          2HB       HIS 153  13.363  -2.418   3.570
 1177   2HB   HIS 153          1HB       HIS 153  14.175  -3.879   3.016
 1178    HD1  HIS 153           HD1      HIS 153  14.498  -5.786   4.957
 1179    HD2  HIS 153           HD2      HIS 153  11.602  -2.871   5.661
 1180    HE1  HIS 153           HE1      HIS 153  12.987  -6.702   6.771
 1181    H    THR 154           HN       THR 154  14.201  -0.473   4.122
 1182    HA   THR 154           HA       THR 154  14.272   0.187   7.033
 1183    HB   THR 154           HB       THR 154  14.817   2.165   4.800
 1184    HG1  THR 154           HG1      THR 154  16.594   0.953   4.795
 1185   1HG2  THR 154          1HG2      THR 154  15.681   3.525   6.717
 1186   2HG2  THR 154          2HG2      THR 154  15.088   2.277   7.811
 1187   3HG2  THR 154          3HG2      THR 154  13.953   3.190   6.820
 1188    H    TYR 155           HN       TYR 155  12.546   1.679   7.665
 1189    HA   TYR 155           HA       TYR 155  10.253   1.645   5.743
 1190   1HB   TYR 155          2HB       TYR 155  10.201   1.951   8.763
 1191   2HB   TYR 155          1HB       TYR 155   8.798   1.812   7.705
 1192    HD1  TYR 155           HD1      TYR 155   8.498  -0.322   6.344
 1193    HD2  TYR 155           HD2      TYR 155  11.333   0.026   9.551
 1194    HE1  TYR 155           HE1      TYR 155   8.616  -2.794   6.508
 1195    HE2  TYR 155           HE2      TYR 155  11.453  -2.445   9.715
 1196    HH   TYR 155           HH       TYR 155  11.017  -4.398   8.400
 1197    H    GLU 156           HN       GLU 156   9.658   3.637   4.938
 1198    HA   GLU 156           HA       GLU 156  10.637   6.037   6.429
 1199   1HB   GLU 156          2HB       GLU 156  10.154   5.648   3.461
 1200   2HB   GLU 156          1HB       GLU 156  10.623   7.172   4.214
 1201   1HG   GLU 156          HG2       GLU 156  12.724   6.410   3.690
 1202   2HG   GLU 156          HG1       GLU 156  12.541   5.602   5.246
 1203    H    VAL 157           HN       VAL 157   9.039   7.244   7.315
 1204    HA   VAL 157           HA       VAL 157   6.293   7.067   6.132
 1205    HB   VAL 157           HB       VAL 157   7.064   7.866   8.955
 1206   1HG1  VAL 157          1HG1      VAL 157   4.450   6.894   8.880
 1207   2HG1  VAL 157          2HG1      VAL 157   4.586   7.863   7.412
 1208   3HG1  VAL 157          3HG1      VAL 157   4.926   8.589   8.983
 1209   1HG2  VAL 157          1HG2      VAL 157   6.273   5.204   7.761
 1210   2HG2  VAL 157          2HG2      VAL 157   6.048   5.558   9.474
 1211   3HG2  VAL 157          3HG2      VAL 157   7.667   5.573   8.775
 1212    H    TRP 158           HN       TRP 158   5.565   8.960   5.195
 1213    HA   TRP 158           HA       TRP 158   6.989  11.478   5.964
 1214   1HB   TRP 158          2HB       TRP 158   5.678  10.771   3.329
 1215   2HB   TRP 158          1HB       TRP 158   6.460  12.304   3.699
 1216    HD1  TRP 158           HD1      TRP 158   7.447   8.559   3.927
 1217    HE1  TRP 158           HE1      TRP 158   9.881   8.336   3.111
 1218    HE3  TRP 158           HE3      TRP 158   8.490  13.444   2.895
 1219    HZ2  TRP 158           HZ2      TRP 158  11.996  10.006   2.157
 1220    HZ3  TRP 158           HZ3      TRP 158  10.718  14.104   2.037
 1221    HH2  TRP 158           HH2      TRP 158  12.472  12.391   1.667
 1222    H    GLN 159           HN       GLN 159   5.684  13.469   5.671
 1223    HA   GLN 159           HA       GLN 159   2.751  13.089   6.003
 1224   1HB   GLN 159          2HB       GLN 159   4.634  14.519   7.890
 1225   2HB   GLN 159          1HB       GLN 159   2.928  14.956   7.796
 1226   1HG   GLN 159          2HG       GLN 159   3.460  12.054   8.014
 1227   2HG   GLN 159          1HG       GLN 159   3.907  13.003   9.432
 1228   1HE2  GLN 159          1HE2      GLN 159   2.180  12.709  10.875
 1229   2HE2  GLN 159          2HE2      GLN 159   0.548  12.950  10.478
 1230    H    LYS 160           HN       LYS 160   1.559  14.892   5.076
 1231    HA   LYS 160           HA       LYS 160   3.126  16.507   3.221
 1232   1HB   LYS 160          2HB       LYS 160   0.776  15.469   2.865
 1233   2HB   LYS 160          1HB       LYS 160   0.189  16.845   3.796
 1234   1HG   LYS 160          2HG       LYS 160   1.457  18.343   2.193
 1235   2HG   LYS 160          1HG       LYS 160   1.735  16.914   1.195
 1236   1HD   LYS 160          2HD       LYS 160  -0.841  16.582   1.354
 1237   2HD   LYS 160          1HD       LYS 160  -0.871  18.276   1.847
 1238   1HE   LYS 160          2HE       LYS 160   0.766  18.442  -0.310
 1239   2HE   LYS 160          1HE       LYS 160  -0.253  17.089  -0.799
 1240   1HZ   LYS 160          1HE       LYS 160  -1.104  19.331  -1.429
 1241   2HZ   LYS 160          2HE       LYS 160  -1.329  19.655   0.224
 1242   3HZ   LYS 160          3HE       LYS 160  -2.191  18.395  -0.523
 1243    H    LYS 161           HN       LYS 161   3.757  18.587   3.520
 1244    HA   LYS 161           HA       LYS 161   3.225  19.888   6.093
 1245   1HB   LYS 161          2HB       LYS 161   4.682  21.005   3.679
 1246   2HB   LYS 161          1HB       LYS 161   4.793  21.575   5.344
 1247   1HG   LYS 161          2HG       LYS 161   5.489  18.726   4.655
 1248   2HG   LYS 161          1HG       LYS 161   6.674  20.015   4.448
 1249   1HD   LYS 161          2HD       LYS 161   7.167  19.688   6.633
 1250   2HD   LYS 161          1HD       LYS 161   5.656  20.535   6.966
 1251   1HE   LYS 161          2HE       LYS 161   4.606  18.132   6.579
 1252   2HE   LYS 161          1HE       LYS 161   6.230  17.595   7.006
 1253   1HZ   LYS 161          1HE       LYS 161   4.260  19.037   8.633
 1254   2HZ   LYS 161          2HE       LYS 161   5.912  19.291   8.938
 1255   3HZ   LYS 161          3HE       LYS 161   5.255  17.729   9.053
 1256    H    ALA 162           HN       ALA 162   2.362  22.125   6.177
 1257    HA   ALA 162           HA       ALA 162   0.410  22.655   3.967
 1258   1HB   ALA 162          1HB       ALA 162  -1.240  23.298   5.540
 1259   2HB   ALA 162          2HB       ALA 162  -0.065  23.416   6.850
 1260   3HB   ALA 162          3HB       ALA 162  -0.535  21.834   6.226
 1261   AH51  NDP 168          AH51      NDP 168  -5.849  -0.725  -9.534
 1262   AH52  NDP 168          AH52      NDP 168  -6.064  -1.976  -8.302
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.602  -3.194  -9.897
 1264   AH3*  NDP 168          AH3*      NDP 168  -7.143  -0.765 -11.637
 1265   AHO3  NDP 168          AHO3      NDP 168  -6.163  -2.772 -12.215
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.436  -0.923 -12.297
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.440  -1.362  -9.759
 1268   AH8   NDP 168          AH8       NDP 168  -7.461   1.033 -10.271
 1269   AH61  NDP 168          AH61      NDP 168 -11.771   5.482  -9.931
 1270   AH62  NDP 168          AH62      NDP 168 -10.058   5.145  -9.889
 1271   AH2   NDP 168          AH2       NDP 168 -13.861   1.516  -9.813
 1272   NH51  NDP 168          NH51      NDP 168  -1.435  -4.978  -9.756
 1273   NH52  NDP 168          NH52      NDP 168  -1.341  -4.020  -8.273
 1274   NH4*  NDP 168          NH4*      NDP 168   0.969  -5.485  -9.639
 1275   NH3*  NDP 168          NH3*      NDP 168  -0.554  -6.137  -7.103
 1276   NHO3  NDP 168          NHO3      NDP 168  -1.003  -7.329  -9.044
 1277   NH2*  NDP 168          NH2*      NDP 168   1.508  -7.037  -6.250
 1278   NHO2  NDP 168          NHO2      NDP 168   2.720  -8.059  -7.621
 1279   NH1*  NDP 168          NH1*      NDP 168   3.099  -4.952  -7.160
 1280   NH2   NDP 168          NH2       NDP 168   3.541  -3.627  -5.220
 1281   NH71  NDP 168          NH71      NDP 168   4.909  -3.029  -4.401
 1282   NH72  NDP 168          NH72      NDP 168   5.259  -1.936  -3.083
 1283   NH41  NDP 168          NH41      NDP 168   0.335  -2.472  -3.173
 1284   NH42  NDP 168          NH42      NDP 168   0.846  -3.956  -2.301
 1285   NH5   NDP 168          NH5       NDP 168  -1.144  -4.394  -3.719
 1286   NH6   NDP 168          NH6       NDP 168  -0.362  -5.468  -5.888
 1287    H1   TRR 170           H1       TRR 170   4.813  -5.113   1.880
 1288   1H2   TRR 170          1H2       TRR 170   4.699  -1.679   2.790
 1289   2H2   TRR 170          2H2       TRR 170   5.610  -3.121   2.911
 1290   1H4   TRR 170          1H4       TRR 170  -0.012  -3.094  -0.357
 1291   2H4   TRR 170          2H4       TRR 170   0.553  -1.667   0.379
 1292    H6   TRR 170           H6       TRR 170   3.215  -6.381   0.588
 1293   1H7   TRR 170          1H7       TRR 170   1.080  -5.157  -1.519
 1294   2H7   TRR 170          2H7       TRR 170  -0.069  -5.012  -0.190
 1295    H12  TRR 170           H12      TRR 170   1.480  -7.260  -2.324
 1296    H16  TRR 170           H16      TRR 170   0.401  -6.754   1.825
 1297   1H17  TRR 170          1H17      TRR 170   2.735  -8.695  -3.439
 1298   2H17  TRR 170          2H17      TRR 170   1.035  -8.781  -3.872
 1299   3H17  TRR 170          3H17      TRR 170   2.103 -10.129  -4.233
 1300   1H18  TRR 170          1H18      TRR 170   2.375 -12.472  -0.230
 1301   2H18  TRR 170          2H18      TRR 170   2.338 -12.004   1.464
 1302   3H18  TRR 170          3H18      TRR 170   3.066 -10.936   0.272
 1303   1H19  TRR 170          1H19      TRR 170   0.075  -9.085   4.423
 1304   2H19  TRR 170          2H19      TRR 170  -0.875  -8.052   3.371
 1305   3H19  TRR 170          3H19      TRR 170   0.838  -7.741   3.587
  Start of MODEL    2
    1   1H    THR   1          1H        THR   1  -4.913  10.457   4.290
    2   2H    THR   1          2H        THR   1  -6.147   9.372   4.720
    3   3H    THR   1          3H        THR   1  -6.425  10.551   3.529
    4    HA   THR   1           HA       THR   1  -5.732   7.998   3.032
    5    HB   THR   1           HB       THR   1  -4.837  10.166   1.165
    6    HG1  THR   1           HG1      THR   1  -6.667  11.113   1.633
    7   1HG2  THR   1          1HG2      THR   1  -5.018   8.471  -0.301
    8   2HG2  THR   1          2HG2      THR   1  -6.720   8.275   0.118
    9   3HG2  THR   1          3HG2      THR   1  -5.483   7.395   1.016
   10    H    ALA   2           HN       ALA   2  -3.906   6.810   3.246
   11    HA   ALA   2           HA       ALA   2  -1.283   8.228   3.031
   12   1HB   ALA   2          1HB       ALA   2  -2.258   6.278   5.104
   13   2HB   ALA   2          2HB       ALA   2  -1.364   7.780   5.329
   14   3HB   ALA   2          3HB       ALA   2  -0.540   6.348   4.710
   15    H    PHE   3           HN       PHE   3   0.434   6.924   2.128
   16    HA   PHE   3           HA       PHE   3  -0.588   4.637   0.501
   17   1HB   PHE   3          2HB       PHE   3   1.660   6.607   0.171
   18   2HB   PHE   3          1HB       PHE   3   1.774   5.032  -0.607
   19    HD1  PHE   3           HD1      PHE   3  -1.371   6.946  -0.024
   20    HD2  PHE   3           HD2      PHE   3   1.566   5.678  -2.884
   21    HE1  PHE   3           HE1      PHE   3  -2.817   7.747  -1.866
   22    HE2  PHE   3           HE2      PHE   3   0.117   6.479  -4.726
   23    HZ   PHE   3           HZ       PHE   3  -2.074   7.512  -4.218
   24    H    LEU   4           HN       LEU   4   0.242   2.573   0.897
   25    HA   LEU   4           HA       LEU   4   2.639   2.411   2.668
   26   1HB   LEU   4          2HB       LEU   4   0.731   2.029   4.113
   27   2HB   LEU   4          1HB       LEU   4   0.027   0.897   2.960
   28    HG   LEU   4           HG       LEU   4   1.892  -0.649   3.290
   29   1HD1  LEU   4          1HD1      LEU   4   2.926   1.559   5.086
   30   2HD1  LEU   4          2HD1      LEU   4   3.735   0.824   3.702
   31   3HD1  LEU   4          3HD1      LEU   4   3.515  -0.100   5.188
   32   1HD2  LEU   4          1HD2      LEU   4   0.082  -0.999   4.810
   33   2HD2  LEU   4          2HD2      LEU   4   0.546   0.389   5.793
   34   3HD2  LEU   4          3HD2      LEU   4   1.544  -1.065   5.793
   35    H    TRP   5           HN       TRP   5   3.863   1.878   0.756
   36    HA   TRP   5           HA       TRP   5   3.341  -0.900  -0.199
   37   1HB   TRP   5          2HB       TRP   5   3.676  -0.316  -2.465
   38   2HB   TRP   5          1HB       TRP   5   2.647   0.970  -1.844
   39    HD1  TRP   5           HD1      TRP   5   6.003   0.315  -3.364
   40    HE1  TRP   5           HE1      TRP   5   7.304   2.526  -3.610
   41    HE3  TRP   5           HE3      TRP   5   3.011   3.411  -0.615
   42    HZ2  TRP   5           HZ2      TRP   5   7.103   5.248  -2.758
   43    HZ3  TRP   5           HZ3      TRP   5   3.590   5.807  -0.352
   44    HH2  TRP   5           HH2      TRP   5   5.629   6.728  -1.419
   45    H    ALA   6           HN       ALA   6   5.180  -2.169  -0.404
   46    HA   ALA   6           HA       ALA   6   7.710  -0.948   0.564
   47   1HB   ALA   6          1HB       ALA   6   8.436  -3.386   0.682
   48   2HB   ALA   6          2HB       ALA   6   6.781  -3.815   0.252
   49   3HB   ALA   6          3HB       ALA   6   7.105  -2.948   1.753
   50    H    GLN   7           HN       GLN   7   9.402  -0.631  -0.824
   51    HA   GLN   7           HA       GLN   7   9.291  -2.003  -3.475
   52   1HB   GLN   7          2HB       GLN   7   9.957   0.069  -4.592
   53   2HB   GLN   7          1HB       GLN   7   8.460   0.326  -3.699
   54   1HG   GLN   7          2HG       GLN   7   9.680   1.366  -1.862
   55   2HG   GLN   7          1HG       GLN   7  11.220   1.015  -2.648
   56   1HE2  GLN   7          1HE2      GLN   7  12.046   2.751  -3.809
   57   2HE2  GLN   7          2HE2      GLN   7  11.119   3.986  -4.514
   58    H    ASP   8           HN       ASP   8  11.392  -2.121  -4.573
   59    HA   ASP   8           HA       ASP   8  13.549  -2.562  -2.623
   60   1HB   ASP   8          2HB       ASP   8  14.722  -3.663  -4.412
   61   2HB   ASP   8          1HB       ASP   8  13.036  -4.167  -4.513
   62    H    ARG   9           HN       ARG   9  15.819  -1.972  -4.097
   63    HA   ARG   9           HA       ARG   9  16.195   0.787  -3.573
   64   1HB   ARG   9          2HB       ARG   9  18.274   0.542  -4.962
   65   2HB   ARG   9          1HB       ARG   9  18.103  -0.691  -3.714
   66   1HG   ARG   9          2HG       ARG   9  18.550  -2.106  -5.456
   67   2HG   ARG   9          1HG       ARG   9  16.822  -1.930  -5.753
   68   1HD   ARG   9          2HD       ARG   9  17.218  -0.935  -7.730
   69   2HD   ARG   9          1HD       ARG   9  18.239   0.277  -6.959
   70    HE   ARG   9           HE       ARG   9  19.163  -2.155  -8.316
   71   1HH1  ARG   9          1HH1      ARG   9  19.873   0.387  -6.053
   72   2HH1  ARG   9          2HH1      ARG   9  21.585   0.223  -6.234
   73   1HH2  ARG   9          1HH2      ARG   9  21.388  -2.352  -8.536
   74   2HH2  ARG   9          2HH2      ARG   9  22.439  -1.317  -7.628
   75    H    ASP  10           HN       ASP  10  15.496  -0.856  -6.680
   76    HA   ASP  10           HA       ASP  10  15.556   1.598  -8.206
   77   1HB   ASP  10          2HB       ASP  10  14.847  -1.238  -8.685
   78   2HB   ASP  10          1HB       ASP  10  14.023  -0.068  -9.716
   79    H    GLY  11           HN       GLY  11  13.112  -0.035  -6.315
   80   1HA   GLY  11          2HA       GLY  11  11.201   1.256  -5.490
   81   2HA   GLY  11          1HA       GLY  11  11.239   2.188  -6.986
   82    H    LEU  12           HN       LEU  12  11.384  -1.351  -6.636
   83    HA   LEU  12           HA       LEU  12   9.209  -1.632  -8.596
   84   1HB   LEU  12          2HB       LEU  12  11.327  -3.134  -8.324
   85   2HB   LEU  12          1HB       LEU  12  10.427  -3.889  -7.009
   86    HG   LEU  12           HG       LEU  12   8.513  -4.188  -8.664
   87   1HD1  LEU  12          1HD1      LEU  12  10.047  -2.529 -10.240
   88   2HD1  LEU  12          2HD1      LEU  12   8.736  -3.550 -10.827
   89   3HD1  LEU  12          3HD1      LEU  12  10.402  -4.119 -10.917
   90   1HD2  LEU  12          1HD2      LEU  12   9.326  -6.278  -9.263
   91   2HD2  LEU  12          2HD2      LEU  12  10.456  -5.856  -7.975
   92   3HD2  LEU  12          3HD2      LEU  12  10.926  -5.653  -9.662
   93    H    ILE  13           HN       ILE  13   7.247  -3.006  -8.030
   94    HA   ILE  13           HA       ILE  13   6.625  -2.886  -5.118
   95    HB   ILE  13           HB       ILE  13   4.229  -2.326  -5.850
   96   1HG1  ILE  13          2HG1      ILE  13   5.381  -0.977  -8.231
   97   2HG1  ILE  13          1HG1      ILE  13   5.174  -2.724  -8.366
   98   1HG2  ILE  13          1HG2      ILE  13   5.993  -0.032  -6.540
   99   2HG2  ILE  13          2HG2      ILE  13   6.249  -0.791  -4.968
  100   3HG2  ILE  13          3HG2      ILE  13   4.668  -0.127  -5.379
  101   1HD1  ILE  13          1HD1      ILE  13   2.797  -2.212  -7.329
  102   2HD1  ILE  13          2HD1      ILE  13   3.078  -1.988  -9.056
  103   3HD1  ILE  13          3HD1      ILE  13   3.097  -0.597  -7.972
  104    H    GLY  14           HN       GLY  14   6.584  -4.717  -8.042
  105   1HA   GLY  14          2HA       GLY  14   6.141  -7.188  -7.051
  106   2HA   GLY  14          1HA       GLY  14   4.498  -6.559  -7.034
  107    H    LYS  15           HN       LYS  15   5.927  -8.708  -8.669
  108    HA   LYS  15           HA       LYS  15   5.012  -7.720 -11.341
  109   1HB   LYS  15          2HB       LYS  15   7.522  -7.944 -11.150
  110   2HB   LYS  15          1HB       LYS  15   7.286  -9.668 -10.865
  111   1HG   LYS  15          2HG       LYS  15   5.744  -8.928 -13.163
  112   2HG   LYS  15          1HG       LYS  15   7.377  -8.297 -13.369
  113   1HD   LYS  15          2HD       LYS  15   7.126 -11.081 -12.336
  114   2HD   LYS  15          1HD       LYS  15   6.730 -10.816 -14.035
  115   1HE   LYS  15          2HE       LYS  15   8.999 -11.134 -14.259
  116   2HE   LYS  15          1HE       LYS  15   9.005  -9.401 -13.933
  117   1HZ   LYS  15          1HE       LYS  15  10.533 -10.245 -12.433
  118   2HZ   LYS  15          2HE       LYS  15   9.606 -11.628 -12.095
  119   3HZ   LYS  15          3HE       LYS  15   9.127 -10.113 -11.494
  120    H    ASP  16           HN       ASP  16   3.542  -9.048 -12.330
  121    HA   ASP  16           HA       ASP  16   2.143 -10.881 -12.708
  122   1HB   ASP  16          2HB       ASP  16   4.496 -12.271 -11.419
  123   2HB   ASP  16          1HB       ASP  16   3.053 -13.152 -11.915
  124    H    GLY  17           HN       GLY  17   2.176  -9.265 -10.153
  125   1HA   GLY  17          2HA       GLY  17   0.461  -9.230  -8.470
  126   2HA   GLY  17          1HA       GLY  17   0.205 -10.952  -8.734
  127    H    HIS  18           HN       HIS  18   2.250 -12.320  -8.081
  128    HA   HIS  18           HA       HIS  18   2.692 -11.868  -5.275
  129   1HB   HIS  18          2HB       HIS  18   4.367 -13.741  -5.509
  130   2HB   HIS  18          1HB       HIS  18   2.757 -14.131  -6.112
  131    HD1  HIS  18           HD1      HIS  18   6.098 -12.869  -7.452
  132    HD2  HIS  18           HD2      HIS  18   2.746 -14.983  -8.745
  133    HE1  HIS  18           HE1      HIS  18   6.604 -13.642  -9.810
  134    H    LEU  19           HN       LEU  19   4.351 -10.838  -4.232
  135    HA   LEU  19           HA       LEU  19   5.904  -8.867  -5.465
  136   1HB   LEU  19          2HB       LEU  19   6.379 -10.440  -2.927
  137   2HB   LEU  19          1HB       LEU  19   7.423  -9.104  -3.418
  138    HG   LEU  19           HG       LEU  19   4.448  -8.707  -3.363
  139   1HD1  LEU  19          1HD1      LEU  19   4.739  -7.870  -0.997
  140   2HD1  LEU  19          2HD1      LEU  19   6.327  -8.639  -0.986
  141   3HD1  LEU  19          3HD1      LEU  19   4.872  -9.621  -1.169
  142   1HD2  LEU  19          1HD2      LEU  19   4.994  -6.489  -3.488
  143   2HD2  LEU  19          2HD2      LEU  19   6.510  -7.116  -4.134
  144   3HD2  LEU  19          3HD2      LEU  19   6.395  -6.670  -2.432
  145    HA   PRO  20           HA       PRO  20   9.306 -10.948  -7.399
  146   1HB   PRO  20          2HB       PRO  20  11.156  -8.863  -7.160
  147   2HB   PRO  20          1HB       PRO  20   9.936  -9.026  -8.431
  148   1HG   PRO  20          2HG       PRO  20  10.062  -7.055  -6.376
  149   2HG   PRO  20          1HG       PRO  20   8.809  -7.261  -7.609
  150   1HD   PRO  20          2HD       PRO  20   8.776  -8.047  -4.769
  151   2HD   PRO  20          1HD       PRO  20   7.424  -7.796  -5.885
  152    H    TRP  21           HN       TRP  21   9.838  -9.592  -4.186
  153    HA   TRP  21           HA       TRP  21  12.218 -11.374  -3.890
  154   1HB   TRP  21          2HB       TRP  21  12.820  -9.844  -1.984
  155   2HB   TRP  21          1HB       TRP  21  12.790  -9.036  -3.550
  156    HD1  TRP  21           HD1      TRP  21  10.598  -9.498  -0.411
  157    HE1  TRP  21           HE1      TRP  21   9.004  -7.480  -0.238
  158    HE3  TRP  21           HE3      TRP  21  11.739  -7.096  -4.772
  159    HZ2  TRP  21           HZ2      TRP  21   8.306  -5.152  -1.749
  160    HZ3  TRP  21           HZ3      TRP  21  10.597  -4.983  -5.379
  161    HH2  TRP  21           HH2      TRP  21   8.883  -4.008  -3.875
  162    H    HIS  22           HN       HIS  22  12.238 -11.251  -1.042
  163    HA   HIS  22           HA       HIS  22   9.636 -12.360  -0.172
  164   1HB   HIS  22          2HB       HIS  22  11.234 -14.211  -1.080
  165   2HB   HIS  22          1HB       HIS  22  12.148 -13.925   0.402
  166    HD1  HIS  22           HD1      HIS  22   8.458 -14.432  -0.478
  167    HD2  HIS  22           HD2      HIS  22  11.232 -15.547   2.427
  168    HE1  HIS  22           HE1      HIS  22   7.227 -15.934   1.149
  169    H    LEU  23           HN       LEU  23   9.514 -10.549   1.229
  170    HA   LEU  23           HA       LEU  23  11.562 -10.522   3.410
  171   1HB   LEU  23          2HB       LEU  23  11.318  -8.488   1.760
  172   2HB   LEU  23          1HB       LEU  23   9.898  -8.115   2.736
  173    HG   LEU  23           HG       LEU  23  11.414  -8.344   4.781
  174   1HD1  LEU  23          1HD1      LEU  23  13.870  -7.745   3.973
  175   2HD1  LEU  23          2HD1      LEU  23  13.365  -8.619   2.530
  176   3HD1  LEU  23          3HD1      LEU  23  13.346  -9.423   4.100
  177   1HD2  LEU  23          1HD2      LEU  23  12.708  -6.091   3.684
  178   2HD2  LEU  23          2HD2      LEU  23  11.215  -6.099   4.620
  179   3HD2  LEU  23          3HD2      LEU  23  11.151  -6.181   2.860
  180    HA   PRO  24           HA       PRO  24   7.737 -11.758   5.572
  181   1HB   PRO  24          2HB       PRO  24   9.334 -12.561   7.791
  182   2HB   PRO  24          1HB       PRO  24   8.548 -13.600   6.597
  183   1HG   PRO  24          2HG       PRO  24  11.329 -13.116   6.920
  184   2HG   PRO  24          1HG       PRO  24  10.533 -14.094   5.680
  185   1HD   PRO  24          2HD       PRO  24  11.747 -11.471   5.423
  186   2HD   PRO  24          1HD       PRO  24  11.143 -12.546   4.154
  187    H    ASP  25           HN       ASP  25  10.517  -9.956   6.840
  188    HA   ASP  25           HA       ASP  25   9.155  -8.837   9.114
  189   1HB   ASP  25          2HB       ASP  25  11.732  -8.869   8.369
  190   2HB   ASP  25          1HB       ASP  25  11.301  -7.273   7.752
  191    H    ASP  26           HN       ASP  26   9.223  -8.033   5.711
  192    HA   ASP  26           HA       ASP  26   8.179  -5.338   6.039
  193   1HB   ASP  26          2HB       ASP  26   9.358  -5.794   4.004
  194   2HB   ASP  26          1HB       ASP  26   8.377  -7.220   3.674
  195    H    LEU  27           HN       LEU  27   6.729  -8.481   5.097
  196    HA   LEU  27           HA       LEU  27   4.078  -7.678   4.723
  197   1HB   LEU  27          2HB       LEU  27   5.035 -10.200   6.115
  198   2HB   LEU  27          1HB       LEU  27   3.439  -9.963   5.404
  199    HG   LEU  27           HG       LEU  27   6.033  -9.757   3.849
  200   1HD1  LEU  27          1HD1      LEU  27   5.981 -11.988   3.481
  201   2HD1  LEU  27          2HD1      LEU  27   4.236 -11.984   3.228
  202   3HD1  LEU  27          3HD1      LEU  27   4.889 -12.076   4.863
  203   1HD2  LEU  27          1HD2      LEU  27   3.982 -10.301   2.097
  204   2HD2  LEU  27          2HD2      LEU  27   4.614  -8.688   2.427
  205   3HD2  LEU  27          3HD2      LEU  27   3.182  -9.264   3.278
  206    H    HIS  28           HN       HIS  28   5.625  -8.609   7.813
  207    HA   HIS  28           HA       HIS  28   3.364  -8.177   9.478
  208   1HB   HIS  28          2HB       HIS  28   6.305  -7.776  10.112
  209   2HB   HIS  28          1HB       HIS  28   5.016  -7.899  11.310
  210    HD1  HIS  28           HD1      HIS  28   3.379 -10.219  10.360
  211    HD2  HIS  28           HD2      HIS  28   7.543 -10.246  10.153
  212    HE1  HIS  28           HE1      HIS  28   4.075 -12.651  10.249
  213    H    TYR  29           HN       TYR  29   5.806  -5.941   8.230
  214    HA   TYR  29           HA       TYR  29   5.015  -3.653   9.771
  215   1HB   TYR  29          2HB       TYR  29   7.129  -3.916   8.354
  216   2HB   TYR  29          1HB       TYR  29   6.114  -3.580   6.951
  217    HD1  TYR  29           HD1      TYR  29   6.912  -2.212  10.351
  218    HD2  TYR  29           HD2      TYR  29   5.767  -1.363   6.298
  219    HE1  TYR  29           HE1      TYR  29   7.073   0.219  10.814
  220    HE2  TYR  29           HE2      TYR  29   5.928   1.067   6.762
  221    HH   TYR  29           HH       TYR  29   7.357   2.297   9.648
  222    H    PHE  30           HN       PHE  30   3.839  -5.084   6.785
  223    HA   PHE  30           HA       PHE  30   2.148  -2.910   5.971
  224   1HB   PHE  30          2HB       PHE  30   2.814  -4.825   4.502
  225   2HB   PHE  30          1HB       PHE  30   1.756  -5.871   5.449
  226    HD1  PHE  30           HD1      PHE  30   1.543  -2.460   3.883
  227    HD2  PHE  30           HD2      PHE  30  -0.319  -6.274   4.504
  228    HE1  PHE  30           HE1      PHE  30  -0.399  -1.733   2.522
  229    HE2  PHE  30           HE2      PHE  30  -2.260  -5.554   3.141
  230    HZ   PHE  30           HZ       PHE  30  -2.300  -3.283   2.151
  231    H    ARG  31           HN       ARG  31   1.478  -5.871   7.857
  232    HA   ARG  31           HA       ARG  31  -1.291  -5.310   8.310
  233   1HB   ARG  31          2HB       ARG  31  -0.215  -7.531   8.684
  234   2HB   ARG  31          1HB       ARG  31   0.629  -6.858  10.078
  235   1HG   ARG  31          2HG       ARG  31  -1.533  -6.336  11.143
  236   2HG   ARG  31          1HG       ARG  31  -2.383  -7.000   9.748
  237   1HD   ARG  31          2HD       ARG  31  -2.264  -9.041  10.684
  238   2HD   ARG  31          1HD       ARG  31  -0.507  -8.967  10.570
  239    HE   ARG  31           HE       ARG  31  -1.007  -7.526  12.849
  240   1HH1  ARG  31          1HH2      ARG  31  -2.038 -10.637  11.692
  241   2HH1  ARG  31          2HH2      ARG  31  -2.196 -11.302  13.281
  242   1HH2  ARG  31          1HH1      ARG  31  -1.210  -8.408  14.905
  243   2HH2  ARG  31          2HH1      ARG  31  -1.730 -10.050  15.090
  244    H    ALA  32           HN       ALA  32   1.419  -5.010  10.623
  245    HA   ALA  32           HA       ALA  32   0.121  -3.623  12.657
  246   1HB   ALA  32          1HB       ALA  32   2.209  -3.221  13.512
  247   2HB   ALA  32          2HB       ALA  32   2.841  -2.635  11.973
  248   3HB   ALA  32          3HB       ALA  32   2.680  -4.368  12.258
  249    H    GLN  33           HN       GLN  33   1.413  -2.265   9.633
  250    HA   GLN  33           HA       GLN  33   0.915   0.480  10.411
  251   1HB   GLN  33          2HB       GLN  33   1.508  -0.882   7.784
  252   2HB   GLN  33          1HB       GLN  33   1.177   0.848   7.877
  253   1HG   GLN  33          2HG       GLN  33   3.103  -0.037   9.900
  254   2HG   GLN  33          1HG       GLN  33   3.658  -0.345   8.254
  255   1HE2  GLN  33          1HE2      GLN  33   2.186   2.302  10.219
  256   2HE2  GLN  33          2HE2      GLN  33   3.000   3.552   9.408
  257    H    THR  34           HN       THR  34  -1.124  -2.038   9.203
  258    HA   THR  34           HA       THR  34  -3.215   0.022   8.588
  259    HB   THR  34           HB       THR  34  -4.245  -1.759   7.120
  260    HG1  THR  34           HG1      THR  34  -2.395  -3.235   8.266
  261   1HG2  THR  34          1HG2      THR  34  -1.684  -0.338   6.657
  262   2HG2  THR  34          2HG2      THR  34  -3.206  -0.238   5.772
  263   3HG2  THR  34          3HG2      THR  34  -2.104  -1.584   5.483
  264    H    VAL  35           HN       VAL  35  -2.642  -1.288  11.227
  265    HA   VAL  35           HA       VAL  35  -4.881  -3.153  11.588
  266    HB   VAL  35           HB       VAL  35  -4.234  -3.013  14.023
  267   1HG1  VAL  35          1HG1      VAL  35  -2.315  -4.381  13.745
  268   2HG1  VAL  35          2HG1      VAL  35  -1.833  -3.545  12.269
  269   3HG1  VAL  35          3HG1      VAL  35  -3.242  -4.606  12.262
  270   1HG2  VAL  35          1HG2      VAL  35  -1.855  -1.439  13.032
  271   2HG2  VAL  35          2HG2      VAL  35  -2.326  -1.762  14.697
  272   3HG2  VAL  35          3HG2      VAL  35  -3.269  -0.645  13.715
  273    H    GLY  36           HN       GLY  36  -6.933  -2.457  11.853
  274   1HA   GLY  36          2HA       GLY  36  -8.722  -1.194  12.714
  275   2HA   GLY  36          1HA       GLY  36  -7.557  -0.247  13.634
  276    H    LYS  37           HN       LYS  37  -6.806  -0.423  10.283
  277    HA   LYS  37           HA       LYS  37  -8.053   2.273   9.890
  278   1HB   LYS  37          2HB       LYS  37  -5.376   1.220   8.941
  279   2HB   LYS  37          1HB       LYS  37  -6.092   2.726   8.367
  280   1HG   LYS  37          2HG       LYS  37  -5.912   3.763  10.462
  281   2HG   LYS  37          1HG       LYS  37  -5.795   2.226  11.319
  282   1HD   LYS  37          2HD       LYS  37  -3.598   1.959   9.854
  283   2HD   LYS  37          1HD       LYS  37  -3.684   3.720   9.810
  284   1HE   LYS  37          2HE       LYS  37  -3.143   3.926  12.010
  285   2HE   LYS  37          1HE       LYS  37  -4.134   2.545  12.480
  286   1HZ   LYS  37          1HE       LYS  37  -2.242   1.282  11.161
  287   2HZ   LYS  37          2HE       LYS  37  -2.097   1.653  12.813
  288   3HZ   LYS  37          3HE       LYS  37  -1.338   2.632  11.650
  289    H    ILE  38           HN       ILE  38  -8.304   2.797   7.463
  290    HA   ILE  38           HA       ILE  38  -9.635   0.499   6.180
  291    HB   ILE  38           HB       ILE  38  -9.329   3.361   5.221
  292   1HG1  ILE  38          2HG1      ILE  38 -11.638   2.035   6.683
  293   2HG1  ILE  38          1HG1      ILE  38 -10.511   3.187   7.401
  294   1HG2  ILE  38          1HG2      ILE  38 -10.275   2.597   3.332
  295   2HG2  ILE  38          2HG2      ILE  38 -11.695   2.131   4.269
  296   3HG2  ILE  38          3HG2      ILE  38 -10.391   0.973   4.009
  297   1HD1  ILE  38          1HD1      ILE  38 -11.188   4.869   5.696
  298   2HD1  ILE  38          2HD1      ILE  38 -12.540   4.363   6.709
  299   3HD1  ILE  38          3HD1      ILE  38 -12.375   3.725   5.073
  300    H    MET  39           HN       MET  39  -8.580  -0.785   4.720
  301    HA   MET  39           HA       MET  39  -6.078   0.281   3.482
  302   1HB   MET  39          2HB       MET  39  -5.899  -1.810   4.843
  303   2HB   MET  39          1HB       MET  39  -7.007  -2.596   3.718
  304   1HG   MET  39          2HG       MET  39  -5.317  -1.783   1.890
  305   2HG   MET  39          1HG       MET  39  -4.194  -1.641   3.243
  306   1HE   MET  39          1HE       MET  39  -7.061  -4.701   2.941
  307   2HE   MET  39          2HE       MET  39  -6.276  -5.203   1.446
  308   3HE   MET  39          3HE       MET  39  -6.832  -3.541   1.626
  309    H    VAL  40           HN       VAL  40  -6.391   1.014   1.421
  310    HA   VAL  40           HA       VAL  40  -8.634  -0.068  -0.173
  311    HB   VAL  40           HB       VAL  40  -6.687   2.152  -0.856
  312   1HG1  VAL  40          1HG1      VAL  40  -9.042   0.918  -2.170
  313   2HG1  VAL  40          2HG1      VAL  40  -7.677   1.776  -2.883
  314   3HG1  VAL  40          3HG1      VAL  40  -9.010   2.682  -2.167
  315   1HG2  VAL  40          1HG2      VAL  40  -7.794   2.957   1.051
  316   2HG2  VAL  40          2HG2      VAL  40  -9.281   2.088   0.671
  317   3HG2  VAL  40          3HG2      VAL  40  -8.838   3.522  -0.254
  318    H    VAL  41           HN       VAL  41  -8.289  -1.756  -1.481
  319    HA   VAL  41           HA       VAL  41  -5.635  -2.017  -2.835
  320    HB   VAL  41           HB       VAL  41  -6.036  -4.525  -2.706
  321   1HG1  VAL  41          1HG1      VAL  41  -5.712  -2.955  -0.133
  322   2HG1  VAL  41          2HG1      VAL  41  -4.423  -3.447  -1.231
  323   3HG1  VAL  41          3HG1      VAL  41  -5.316  -4.662  -0.316
  324   1HG2  VAL  41          1HG2      VAL  41  -8.551  -3.780  -1.856
  325   2HG2  VAL  41          2HG2      VAL  41  -7.758  -4.187  -0.336
  326   3HG2  VAL  41          3HG2      VAL  41  -7.849  -5.381  -1.630
  327    H    GLY  42           HN       GLY  42  -5.873  -1.977  -5.024
  328   1HA   GLY  42          2HA       GLY  42  -8.412  -1.800  -6.301
  329   2HA   GLY  42          1HA       GLY  42  -6.884  -2.070  -7.132
  330    H    ARG  43           HN       ARG  43  -9.464  -3.290  -7.721
  331    HA   ARG  43           HA       ARG  43  -9.920  -5.866  -6.802
  332   1HB   ARG  43          2HB       ARG  43 -11.281  -4.668  -8.519
  333   2HB   ARG  43          1HB       ARG  43 -10.027  -5.014  -9.709
  334   1HG   ARG  43          2HG       ARG  43 -10.830  -7.409  -8.240
  335   2HG   ARG  43          1HG       ARG  43 -12.188  -6.661  -9.081
  336   1HD   ARG  43          2HD       ARG  43  -9.525  -7.349 -10.360
  337   2HD   ARG  43          1HD       ARG  43 -10.998  -8.306 -10.515
  338    HE   ARG  43           HE       ARG  43 -11.393  -5.537 -11.303
  339   1HH1  ARG  43          1HH2      ARG  43 -10.244  -8.660 -12.291
  340   2HH1  ARG  43          2HH2      ARG  43 -10.518  -8.359 -13.972
  341   1HH2  ARG  43          1HH1      ARG  43 -11.743  -5.159 -13.500
  342   2HH2  ARG  43          2HH1      ARG  43 -11.361  -6.391 -14.653
  343    H    ARG  44           HN       ARG  44  -7.180  -4.807  -8.735
  344    HA   ARG  44           HA       ARG  44  -6.488  -7.473  -9.660
  345   1HB   ARG  44          2HB       ARG  44  -5.250  -4.765  -9.721
  346   2HB   ARG  44          1HB       ARG  44  -4.159  -6.143  -9.867
  347   1HG   ARG  44          2HG       ARG  44  -6.666  -5.947 -11.535
  348   2HG   ARG  44          1HG       ARG  44  -5.162  -5.182 -12.049
  349   1HD   ARG  44          2HD       ARG  44  -4.950  -8.005 -11.151
  350   2HD   ARG  44          1HD       ARG  44  -5.795  -7.737 -12.674
  351    HE   ARG  44           HE       ARG  44  -2.937  -7.331 -12.193
  352   1HH1  ARG  44          1HH1      ARG  44  -5.706  -6.531 -14.135
  353   2HH1  ARG  44          2HH1      ARG  44  -4.756  -6.088 -15.511
  354   1HH2  ARG  44          1HH2      ARG  44  -1.719  -6.749 -13.989
  355   2HH2  ARG  44          2HH2      ARG  44  -2.513  -6.208 -15.430
  356    H    THR  45           HN       THR  45  -5.320  -5.346  -7.031
  357    HA   THR  45           HA       THR  45  -3.416  -7.285  -6.041
  358    HB   THR  45           HB       THR  45  -4.702  -5.090  -4.407
  359    HG1  THR  45           HG1      THR  45  -2.627  -4.961  -6.331
  360   1HG2  THR  45          1HG2      THR  45  -2.684  -5.153  -3.151
  361   2HG2  THR  45          2HG2      THR  45  -1.856  -6.099  -4.387
  362   3HG2  THR  45          3HG2      THR  45  -3.117  -6.843  -3.405
  363    H    TYR  46           HN       TYR  46  -6.687  -6.308  -4.916
  364    HA   TYR  46           HA       TYR  46  -6.908  -8.088  -2.747
  365   1HB   TYR  46          2HB       TYR  46  -8.568  -6.312  -3.360
  366   2HB   TYR  46          1HB       TYR  46  -9.122  -7.342  -4.680
  367    HD1  TYR  46           HD1      TYR  46 -10.421  -9.345  -4.261
  368    HD2  TYR  46           HD2      TYR  46  -8.923  -6.974  -1.008
  369    HE1  TYR  46           HE1      TYR  46 -11.897 -10.569  -2.689
  370    HE2  TYR  46           HE2      TYR  46 -10.399  -8.199   0.564
  371    HH   TYR  46           HH       TYR  46 -12.932 -10.220  -0.492
  372    H    GLU  47           HN       GLU  47  -7.243  -8.691  -6.202
  373    HA   GLU  47           HA       GLU  47  -8.261 -11.407  -5.826
  374   1HB   GLU  47          2HB       GLU  47  -7.377  -9.754  -8.177
  375   2HB   GLU  47          1HB       GLU  47  -7.566 -11.499  -8.359
  376   1HG   GLU  47          HG2       GLU  47  -9.873 -10.927  -7.065
  377   2HG   GLU  47          HG1       GLU  47  -9.631  -9.408  -7.929
  378    H    SER  48           HN       SER  48  -5.160  -9.887  -5.860
  379    HA   SER  48           HA       SER  48  -3.784 -12.466  -6.395
  380   1HB   SER  48          2HB       SER  48  -3.091 -10.164  -7.404
  381   2HB   SER  48          1HB       SER  48  -2.398  -9.856  -5.814
  382    HG   SER  48           HG       SER  48  -1.307 -11.928  -6.099
  383    H    PHE  49           HN       PHE  49  -4.740 -10.422  -3.778
  384    HA   PHE  49           HA       PHE  49  -2.778 -10.869  -1.823
  385   1HB   PHE  49          2HB       PHE  49  -5.638 -10.223  -1.856
  386   2HB   PHE  49          1HB       PHE  49  -5.169 -11.141  -0.427
  387    HD1  PHE  49           HD1      PHE  49  -3.225 -10.305   0.984
  388    HD2  PHE  49           HD2      PHE  49  -5.069  -7.928  -2.078
  389    HE1  PHE  49           HE1      PHE  49  -2.253  -8.264   1.989
  390    HE2  PHE  49           HE2      PHE  49  -4.090  -5.883  -1.075
  391    HZ   PHE  49           HZ       PHE  49  -2.680  -6.049   0.958
  392    HA   PRO  50           HA       PRO  50  -3.012 -15.277  -1.089
  393   1HB   PRO  50          2HB       PRO  50  -1.637 -15.184   1.354
  394   2HB   PRO  50          1HB       PRO  50  -0.901 -15.327  -0.248
  395   1HG   PRO  50          2HG       PRO  50  -0.746 -13.126   1.555
  396   2HG   PRO  50          1HG       PRO  50  -0.058 -13.252  -0.071
  397   1HD   PRO  50          2HD       PRO  50  -2.477 -11.846   0.816
  398   2HD   PRO  50          1HD       PRO  50  -1.538 -11.637  -0.671
  399    H    LYS  51           HN       LYS  51  -3.477 -13.256   1.845
  400    HA   LYS  51           HA       LYS  51  -5.683 -15.120   2.628
  401   1HB   LYS  51          2HB       LYS  51  -3.547 -13.747   4.162
  402   2HB   LYS  51          1HB       LYS  51  -5.142 -13.748   4.914
  403   1HG   LYS  51          2HG       LYS  51  -4.599 -16.359   3.812
  404   2HG   LYS  51          1HG       LYS  51  -3.266 -15.871   4.859
  405   1HD   LYS  51          2HD       LYS  51  -5.347 -15.088   6.395
  406   2HD   LYS  51          1HD       LYS  51  -6.101 -16.437   5.545
  407   1HE   LYS  51          2HE       LYS  51  -3.387 -16.703   6.840
  408   2HE   LYS  51          1HE       LYS  51  -4.875 -16.986   7.743
  409   1HZ   LYS  51          1HE       LYS  51  -4.472 -18.304   5.145
  410   2HZ   LYS  51          2HE       LYS  51  -5.415 -18.801   6.469
  411   3HZ   LYS  51          3HE       LYS  51  -3.722 -18.939   6.528
  412    H    ARG  52           HN       ARG  52  -7.649 -14.227   2.269
  413    HA   ARG  52           HA       ARG  52  -7.997 -11.319   2.843
  414   1HB   ARG  52          2HB       ARG  52  -9.360 -12.695   0.519
  415   2HB   ARG  52          1HB       ARG  52  -9.294 -10.969   0.865
  416   1HG   ARG  52          2HG       ARG  52  -7.421 -10.786  -0.359
  417   2HG   ARG  52          1HG       ARG  52  -6.607 -11.935   0.699
  418   1HD   ARG  52          2HD       ARG  52  -6.552 -12.796  -1.573
  419   2HD   ARG  52          1HD       ARG  52  -7.638 -13.801  -0.615
  420    HE   ARG  52           HE       ARG  52  -9.276 -11.845  -1.746
  421   1HH1  ARG  52          1HH1      ARG  52  -7.050 -14.259  -2.868
  422   2HH1  ARG  52          2HH1      ARG  52  -7.882 -14.500  -4.365
  423   1HH2  ARG  52          1HH2      ARG  52 -10.350 -12.165  -3.697
  424   2HH2  ARG  52          2HH2      ARG  52  -9.742 -13.321  -4.834
  425    HA   PRO  53           HA       PRO  53  -9.229  -9.954   3.346
  426   1HB   PRO  53          2HB       PRO  53 -10.696  -8.953   5.470
  427   2HB   PRO  53          1HB       PRO  53 -11.236  -8.948   3.785
  428   1HG   PRO  53          2HG       PRO  53 -12.301 -10.451   5.994
  429   2HG   PRO  53          1HG       PRO  53 -12.884 -10.383   4.324
  430   1HD   PRO  53          2HD       PRO  53 -11.261 -12.450   5.634
  431   2HD   PRO  53          1HD       PRO  53 -12.179 -12.536   4.121
  432    H    LEU  54           HN       LEU  54  -8.315  -8.508   5.254
  433    HA   LEU  54           HA       LEU  54  -6.490 -10.179   6.784
  434   1HB   LEU  54          2HB       LEU  54  -7.030  -7.196   6.810
  435   2HB   LEU  54          1HB       LEU  54  -5.769  -7.969   7.772
  436    HG   LEU  54           HG       LEU  54  -5.834  -8.666   4.883
  437   1HD1  LEU  54          1HD1      LEU  54  -4.493  -6.566   4.393
  438   2HD1  LEU  54          2HD1      LEU  54  -5.063  -5.934   5.937
  439   3HD1  LEU  54          3HD1      LEU  54  -6.217  -6.307   4.656
  440   1HD2  LEU  54          1HD2      LEU  54  -3.976  -8.590   7.145
  441   2HD2  LEU  54          2HD2      LEU  54  -3.277  -7.904   5.679
  442   3HD2  LEU  54          3HD2      LEU  54  -3.904  -9.552   5.668
  443    HA   PRO  55           HA       PRO  55  -8.861 -10.657  10.495
  444   1HB   PRO  55          2HB       PRO  55  -6.667 -10.778  12.257
  445   2HB   PRO  55          1HB       PRO  55  -7.427 -12.139  11.422
  446   1HG   PRO  55          2HG       PRO  55  -4.833 -11.019  10.979
  447   2HG   PRO  55          1HG       PRO  55  -5.590 -12.391  10.159
  448   1HD   PRO  55          2HD       PRO  55  -5.197  -9.680   9.187
  449   2HD   PRO  55          1HD       PRO  55  -5.733 -11.116   8.301
  450    H    GLU  56           HN       GLU  56  -9.843  -9.228  11.854
  451    HA   GLU  56           HA       GLU  56 -10.290  -7.181  12.925
  452   1HB   GLU  56          2HB       GLU  56  -7.449  -7.787  13.772
  453   2HB   GLU  56          1HB       GLU  56  -8.386  -6.455  14.451
  454   1HG   GLU  56          HG2       GLU  56 -10.072  -7.971  15.282
  455   2HG   GLU  56          HG1       GLU  56  -9.338  -9.331  14.432
  456    H    ARG  57           HN       ARG  57  -9.536  -6.858  10.196
  457    HA   ARG  57           HA       ARG  57  -8.383  -4.126  10.359
  458   1HB   ARG  57          2HB       ARG  57  -7.222  -6.453   8.887
  459   2HB   ARG  57          1HB       ARG  57  -7.159  -4.873   8.108
  460   1HG   ARG  57          2HG       ARG  57  -5.435  -4.274   9.417
  461   2HG   ARG  57          1HG       ARG  57  -6.419  -4.540  10.855
  462   1HD   ARG  57          2HD       ARG  57  -5.728  -7.112   9.953
  463   2HD   ARG  57          1HD       ARG  57  -4.256  -6.156   9.796
  464    HE   ARG  57           HE       ARG  57  -5.217  -5.506  12.318
  465   1HH1  ARG  57          1HH2      ARG  57  -4.418  -8.428  10.625
  466   2HH1  ARG  57          2HH2      ARG  57  -3.947  -9.271  12.061
  467   1HH2  ARG  57          1HH1      ARG  57  -4.603  -6.611  14.179
  468   2HH2  ARG  57          2HH1      ARG  57  -4.050  -8.249  14.063
  469    H    THR  58           HN       THR  58  -9.531  -2.732   9.100
  470    HA   THR  58           HA       THR  58 -11.748  -3.780   7.496
  471    HB   THR  58           HB       THR  58 -10.878  -0.891   7.654
  472    HG1  THR  58           HG1      THR  58 -11.088  -1.257   9.737
  473   1HG2  THR  58          1HG2      THR  58 -12.973  -2.219   6.362
  474   2HG2  THR  58          2HG2      THR  58 -12.860  -0.485   6.662
  475   3HG2  THR  58          3HG2      THR  58 -13.714  -1.523   7.804
  476    H    ASN  59           HN       ASN  59 -11.563  -4.251   5.363
  477    HA   ASN  59           HA       ASN  59  -9.398  -2.884   3.810
  478   1HB   ASN  59          2HB       ASN  59 -10.433  -5.655   3.193
  479   2HB   ASN  59          1HB       ASN  59  -8.943  -4.897   2.635
  480   1HD2  ASN  59          1HD2      ASN  59  -8.182  -3.825   5.287
  481   2HD2  ASN  59          2HD2      ASN  59  -7.730  -5.158   6.237
  482    H    VAL  60           HN       VAL  60 -10.012  -2.064   1.791
  483    HA   VAL  60           HA       VAL  60 -12.855  -2.531   0.992
  484    HB   VAL  60           HB       VAL  60 -11.264   0.037   0.702
  485   1HG1  VAL  60          1HG1      VAL  60 -13.739   0.832   0.291
  486   2HG1  VAL  60          2HG1      VAL  60 -14.008  -0.862  -0.119
  487   3HG1  VAL  60          3HG1      VAL  60 -12.831   0.086  -1.025
  488   1HG2  VAL  60          1HG2      VAL  60 -12.770  -1.059   2.922
  489   2HG2  VAL  60          2HG2      VAL  60 -13.543   0.411   2.328
  490   3HG2  VAL  60          3HG2      VAL  60 -11.858   0.444   2.837
  491    H    VAL  61           HN       VAL  61 -13.138  -3.079  -1.150
  492    HA   VAL  61           HA       VAL  61 -10.670  -3.325  -2.787
  493    HB   VAL  61           HB       VAL  61 -13.418  -4.430  -3.419
  494   1HG1  VAL  61          1HG1      VAL  61 -12.344  -5.706  -5.037
  495   2HG1  VAL  61          2HG1      VAL  61 -10.792  -5.647  -4.202
  496   3HG1  VAL  61          3HG1      VAL  61 -11.370  -4.237  -5.088
  497   1HG2  VAL  61          1HG2      VAL  61 -11.251  -5.428  -1.593
  498   2HG2  VAL  61          2HG2      VAL  61 -12.201  -6.594  -2.514
  499   3HG2  VAL  61          3HG2      VAL  61 -13.001  -5.499  -1.386
  500    H    LEU  62           HN       LEU  62 -10.549  -2.446  -4.882
  501    HA   LEU  62           HA       LEU  62 -12.600  -0.354  -5.499
  502   1HB   LEU  62          2HB       LEU  62  -9.896   0.003  -5.002
  503   2HB   LEU  62          1HB       LEU  62  -9.962  -0.049  -6.763
  504    HG   LEU  62           HG       LEU  62 -11.816   1.656  -6.667
  505   1HD1  LEU  62          1HD1      LEU  62 -12.298   2.795  -4.627
  506   2HD1  LEU  62          2HD1      LEU  62 -10.933   2.045  -3.801
  507   3HD1  LEU  62          3HD1      LEU  62 -12.345   1.079  -4.224
  508   1HD2  LEU  62          1HD2      LEU  62  -9.777   2.640  -7.219
  509   2HD2  LEU  62          2HD2      LEU  62  -9.017   2.153  -5.705
  510   3HD2  LEU  62          3HD2      LEU  62 -10.157   3.499  -5.727
  511    H    THR  63           HN       THR  63 -13.744  -0.812  -7.336
  512    HA   THR  63           HA       THR  63 -12.340  -2.060  -9.618
  513    HB   THR  63           HB       THR  63 -13.167  -4.002  -8.371
  514    HG1  THR  63           HG1      THR  63 -13.448  -3.722 -10.763
  515   1HG2  THR  63          1HG2      THR  63 -15.972  -2.967  -8.720
  516   2HG2  THR  63          2HG2      THR  63 -15.032  -2.554  -7.287
  517   3HG2  THR  63          3HG2      THR  63 -15.392  -4.242  -7.649
  518    H    HIS  64           HN       HIS  64 -13.594  -1.878 -11.615
  519    HA   HIS  64           HA       HIS  64 -15.428   0.453 -11.527
  520   1HB   HIS  64          2HB       HIS  64 -13.571  -0.711 -13.494
  521   2HB   HIS  64          1HB       HIS  64 -15.107  -0.195 -14.187
  522    HD1  HIS  64           HD1      HIS  64 -15.846   2.355 -13.392
  523    HD2  HIS  64           HD2      HIS  64 -11.800   1.381 -13.149
  524    HE1  HIS  64           HE1      HIS  64 -14.588   4.549 -13.262
  525    H    GLN  65           HN       GLN  65 -15.810  -2.784 -11.225
  526    HA   GLN  65           HA       GLN  65 -18.027  -3.134 -13.125
  527   1HB   GLN  65          2HB       GLN  65 -16.747  -4.877 -11.018
  528   2HB   GLN  65          1HB       GLN  65 -18.252  -5.349 -11.808
  529   1HG   GLN  65          2HG       GLN  65 -16.463  -6.344 -13.070
  530   2HG   GLN  65          1HG       GLN  65 -17.077  -4.995 -14.027
  531   1HE2  GLN  65          1HE2      GLN  65 -14.386  -5.998 -11.910
  532   2HE2  GLN  65          2HE2      GLN  65 -13.316  -4.783 -12.419
  533    H    GLU  66           HN       GLU  66 -20.179  -3.904 -12.223
  534    HA   GLU  66           HA       GLU  66 -20.858  -2.305  -9.789
  535   1HB   GLU  66          2HB       GLU  66 -22.110  -2.571 -12.420
  536   2HB   GLU  66          1HB       GLU  66 -23.248  -2.860 -11.104
  537   1HG   GLU  66          HG2       GLU  66 -23.401  -0.557 -11.251
  538   2HG   GLU  66          HG1       GLU  66 -22.081  -0.695 -10.089
  539    H    ASP  67           HN       ASP  67 -20.631  -5.478 -11.025
  540    HA   ASP  67           HA       ASP  67 -22.609  -6.487  -9.036
  541   1HB   ASP  67          2HB       ASP  67 -21.743  -7.363 -11.684
  542   2HB   ASP  67          1HB       ASP  67 -21.682  -8.670 -10.501
  543    H    TYR  68           HN       TYR  68 -19.680  -5.559  -8.607
  544    HA   TYR  68           HA       TYR  68 -18.101  -7.857  -7.979
  545   1HB   TYR  68          2HB       TYR  68 -17.457  -5.312  -8.047
  546   2HB   TYR  68          1HB       TYR  68 -17.936  -5.335  -6.350
  547    HD1  TYR  68           HD1      TYR  68 -15.674  -6.912  -8.849
  548    HD2  TYR  68           HD2      TYR  68 -16.556  -6.341  -4.685
  549    HE1  TYR  68           HE1      TYR  68 -13.500  -7.941  -8.248
  550    HE2  TYR  68           HE2      TYR  68 -14.381  -7.369  -4.083
  551    HH   TYR  68           HH       TYR  68 -12.747  -9.217  -5.580
  552    H    GLN  69           HN       GLN  69 -18.812  -9.439  -6.621
  553    HA   GLN  69           HA       GLN  69 -20.421  -8.648  -4.241
  554   1HB   GLN  69          2HB       GLN  69 -19.978 -11.362  -5.522
  555   2HB   GLN  69          1HB       GLN  69 -20.982 -11.068  -4.102
  556   1HG   GLN  69          2HG       GLN  69 -21.439  -9.572  -6.682
  557   2HG   GLN  69          1HG       GLN  69 -22.172 -11.150  -6.393
  558   1HE2  GLN  69          1HE2      GLN  69 -24.330 -10.107  -6.344
  559   2HE2  GLN  69          2HE2      GLN  69 -24.825  -9.229  -4.977
  560    H    ALA  70           HN       ALA  70 -19.200  -8.335  -2.448
  561    HA   ALA  70           HA       ALA  70 -17.107 -10.358  -1.817
  562   1HB   ALA  70          1HB       ALA  70 -16.652  -7.424  -1.281
  563   2HB   ALA  70          2HB       ALA  70 -16.165  -8.158  -2.809
  564   3HB   ALA  70          3HB       ALA  70 -15.471  -8.734  -1.293
  565    H    GLN  71           HN       GLN  71 -18.565 -11.225  -0.254
  566    HA   GLN  71           HA       GLN  71 -19.841  -9.568   1.747
  567   1HB   GLN  71          2HB       GLN  71 -19.349 -12.536   1.486
  568   2HB   GLN  71          1HB       GLN  71 -20.099 -11.849   2.927
  569   1HG   GLN  71          2HG       GLN  71 -21.934 -10.971   1.667
  570   2HG   GLN  71          1HG       GLN  71 -21.121 -11.293   0.135
  571   1HE2  GLN  71          1HE2      GLN  71 -22.826 -12.834   2.844
  572   2HE2  GLN  71          2HE2      GLN  71 -23.062 -14.326   2.070
  573    H    GLY  72           HN       GLY  72 -18.812  -8.608   3.419
  574   1HA   GLY  72          2HA       GLY  72 -17.492  -8.856   5.474
  575   2HA   GLY  72          1HA       GLY  72 -16.467 -10.008   4.620
  576    H    ALA  73           HN       ALA  73 -16.274  -8.330   2.181
  577    HA   ALA  73           HA       ALA  73 -14.354  -6.334   3.283
  578   1HB   ALA  73          1HB       ALA  73 -13.307  -6.433   1.030
  579   2HB   ALA  73          2HB       ALA  73 -14.514  -7.623   0.543
  580   3HB   ALA  73          3HB       ALA  73 -13.353  -8.013   1.812
  581    H    VAL  74           HN       VAL  74 -14.529  -4.206   2.748
  582    HA   VAL  74           HA       VAL  74 -17.061  -3.167   1.861
  583    HB   VAL  74           HB       VAL  74 -14.397  -1.733   1.982
  584   1HG1  VAL  74          1HG1      VAL  74 -15.546   0.139   1.479
  585   2HG1  VAL  74          2HG1      VAL  74 -16.768  -0.219   2.699
  586   3HG1  VAL  74          3HG1      VAL  74 -16.920  -0.889   1.075
  587   1HG2  VAL  74          1HG2      VAL  74 -15.476  -3.039   4.075
  588   2HG2  VAL  74          2HG2      VAL  74 -16.405  -1.544   4.175
  589   3HG2  VAL  74          3HG2      VAL  74 -14.644  -1.495   4.257
  590    H    VAL  75           HN       VAL  75 -17.785  -2.913  -0.188
  591    HA   VAL  75           HA       VAL  75 -15.783  -3.007  -2.411
  592    HB   VAL  75           HB       VAL  75 -18.752  -3.609  -2.516
  593   1HG1  VAL  75          1HG1      VAL  75 -17.472  -2.840  -4.618
  594   2HG1  VAL  75          2HG1      VAL  75 -18.362  -4.358  -4.729
  595   3HG1  VAL  75          3HG1      VAL  75 -16.613  -4.376  -4.504
  596   1HG2  VAL  75          1HG2      VAL  75 -17.501  -5.979  -2.964
  597   2HG2  VAL  75          2HG2      VAL  75 -18.070  -5.472  -1.374
  598   3HG2  VAL  75          3HG2      VAL  75 -16.378  -5.248  -1.818
  599    H    VAL  76           HN       VAL  76 -15.577  -1.212  -3.690
  600    HA   VAL  76           HA       VAL  76 -17.839   0.705  -3.862
  601    HB   VAL  76           HB       VAL  76 -16.274   2.614  -3.472
  602   1HG1  VAL  76          1HG1      VAL  76 -16.077   0.874  -1.043
  603   2HG1  VAL  76          2HG1      VAL  76 -17.680   1.275  -1.659
  604   3HG1  VAL  76          3HG1      VAL  76 -16.575   2.561  -1.174
  605   1HG2  VAL  76          1HG2      VAL  76 -14.049   2.320  -3.043
  606   2HG2  VAL  76          2HG2      VAL  76 -14.293   0.781  -3.869
  607   3HG2  VAL  76          3HG2      VAL  76 -14.323   0.851  -2.107
  608    H    HIS  77           HN       HIS  77 -17.528   2.248  -5.692
  609    HA   HIS  77           HA       HIS  77 -15.526   1.310  -7.699
  610   1HB   HIS  77          2HB       HIS  77 -18.377   2.005  -8.432
  611   2HB   HIS  77          1HB       HIS  77 -17.161   1.214  -9.433
  612    HD1  HIS  77           HD1      HIS  77 -16.195  -1.098  -7.976
  613    HD2  HIS  77           HD2      HIS  77 -20.164   0.101  -7.566
  614    HE1  HIS  77           HE1      HIS  77 -17.471  -3.121  -7.139
  615    H    ASP  78           HN       ASP  78 -15.558   3.701  -5.968
  616    HA   ASP  78           HA       ASP  78 -15.027   5.673  -8.021
  617   1HB   ASP  78          2HB       ASP  78 -17.697   5.528  -7.152
  618   2HB   ASP  78          1HB       ASP  78 -17.012   6.909  -6.296
  619    H    VAL  79           HN       VAL  79 -13.097   6.263  -7.103
  620    HA   VAL  79           HA       VAL  79 -12.277   6.229  -4.470
  621    HB   VAL  79           HB       VAL  79 -11.638   8.359  -6.533
  622   1HG1  VAL  79          1HG1      VAL  79 -10.374   7.648  -3.879
  623   2HG1  VAL  79          2HG1      VAL  79 -10.935   9.229  -4.426
  624   3HG1  VAL  79          3HG1      VAL  79  -9.491   8.510  -5.140
  625   1HG2  VAL  79          1HG2      VAL  79 -10.175   6.877  -7.446
  626   2HG2  VAL  79          2HG2      VAL  79 -11.144   5.651  -6.628
  627   3HG2  VAL  79          3HG2      VAL  79  -9.674   6.263  -5.870
  628    H    ALA  80           HN       ALA  80 -14.413   8.608  -5.951
  629    HA   ALA  80           HA       ALA  80 -14.326  10.614  -3.934
  630   1HB   ALA  80          1HB       ALA  80 -15.754  10.221  -6.274
  631   2HB   ALA  80          2HB       ALA  80 -15.987  11.562  -5.153
  632   3HB   ALA  80          3HB       ALA  80 -17.005  10.127  -5.034
  633    H    ALA  81           HN       ALA  81 -16.222   7.631  -4.180
  634    HA   ALA  81           HA       ALA  81 -17.794   8.053  -1.811
  635   1HB   ALA  81          1HB       ALA  81 -17.863   5.421  -1.933
  636   2HB   ALA  81          2HB       ALA  81 -17.079   5.671  -3.493
  637   3HB   ALA  81          3HB       ALA  81 -18.665   6.377  -3.179
  638    H    VAL  82           HN       VAL  82 -14.739   6.270  -2.378
  639    HA   VAL  82           HA       VAL  82 -14.383   5.306   0.265
  640    HB   VAL  82           HB       VAL  82 -12.104   6.273  -1.471
  641   1HG1  VAL  82          1HG1      VAL  82 -11.684   3.713  -0.317
  642   2HG1  VAL  82          2HG1      VAL  82 -12.371   4.732   0.947
  643   3HG1  VAL  82          3HG1      VAL  82 -10.899   5.231   0.116
  644   1HG2  VAL  82          1HG2      VAL  82 -12.563   3.555  -2.026
  645   2HG2  VAL  82          2HG2      VAL  82 -12.835   4.913  -3.118
  646   3HG2  VAL  82          3HG2      VAL  82 -14.154   4.312  -2.116
  647    H    PHE  83           HN       PHE  83 -13.487   8.425  -1.188
  648    HA   PHE  83           HA       PHE  83 -12.086   9.472   1.073
  649   1HB   PHE  83          2HB       PHE  83 -13.422  10.622  -1.340
  650   2HB   PHE  83          1HB       PHE  83 -13.049  11.719  -0.011
  651    HD1  PHE  83           HD1      PHE  83 -11.786  10.303  -2.962
  652    HD2  PHE  83           HD2      PHE  83 -10.599  11.353   1.029
  653    HE1  PHE  83           HE1      PHE  83  -9.417  10.389  -3.689
  654    HE2  PHE  83           HE2      PHE  83  -8.230  11.438   0.302
  655    HZ   PHE  83           HZ       PHE  83  -7.639  10.956  -2.057
  656    H    ALA  84           HN       ALA  84 -15.498   9.146   0.356
  657    HA   ALA  84           HA       ALA  84 -16.360  11.017   2.420
  658   1HB   ALA  84          1HB       ALA  84 -18.621   9.965   1.979
  659   2HB   ALA  84          2HB       ALA  84 -17.827   8.918   0.803
  660   3HB   ALA  84          3HB       ALA  84 -17.845  10.665   0.559
  661    H    TYR  85           HN       TYR  85 -15.405   7.665   2.372
  662    HA   TYR  85           HA       TYR  85 -16.883   6.941   4.782
  663   1HB   TYR  85          2HB       TYR  85 -15.874   5.424   2.854
  664   2HB   TYR  85          1HB       TYR  85 -14.435   5.469   3.873
  665    HD1  TYR  85           HD1      TYR  85 -18.144   4.951   4.163
  666    HD2  TYR  85           HD2      TYR  85 -14.231   3.894   5.574
  667    HE1  TYR  85           HE1      TYR  85 -19.144   3.243   5.659
  668    HE2  TYR  85           HE2      TYR  85 -15.224   2.187   7.069
  669    HH   TYR  85           HH       TYR  85 -17.793   0.812   6.832
  670    H    ALA  86           HN       ALA  86 -13.412   7.458   4.058
  671    HA   ALA  86           HA       ALA  86 -12.454   7.349   6.712
  672   1HB   ALA  86          1HB       ALA  86 -10.502   8.460   5.918
  673   2HB   ALA  86          2HB       ALA  86 -11.400   9.288   4.646
  674   3HB   ALA  86          3HB       ALA  86 -11.110   7.553   4.532
  675    H    LYS  87           HN       LYS  87 -13.843  10.068   4.905
  676    HA   LYS  87           HA       LYS  87 -13.418  12.058   6.929
  677   1HB   LYS  87          2HB       LYS  87 -14.265  12.200   4.391
  678   2HB   LYS  87          1HB       LYS  87 -15.839  12.201   5.186
  679   1HG   LYS  87          2HG       LYS  87 -14.277  13.975   6.699
  680   2HG   LYS  87          1HG       LYS  87 -13.868  14.332   5.021
  681   1HD   LYS  87          2HD       LYS  87 -16.032  14.970   4.482
  682   2HD   LYS  87          1HD       LYS  87 -16.752  13.962   5.738
  683   1HE   LYS  87          2HE       LYS  87 -16.269  15.504   7.436
  684   2HE   LYS  87          1HE       LYS  87 -14.999  16.286   6.496
  685   1HZ   LYS  87          1HE       LYS  87 -17.903  16.619   6.342
  686   2HZ   LYS  87          2HE       LYS  87 -17.008  16.782   4.907
  687   3HZ   LYS  87          3HE       LYS  87 -16.674  17.783   6.239
  688    H    GLN  88           HN       GLN  88 -15.834   9.555   6.478
  689    HA   GLN  88           HA       GLN  88 -17.595  10.681   8.548
  690   1HB   GLN  88          2HB       GLN  88 -17.702   8.429   6.616
  691   2HB   GLN  88          1HB       GLN  88 -18.594   8.207   8.122
  692   1HG   GLN  88          2HG       GLN  88 -20.040   9.967   7.690
  693   2HG   GLN  88          1HG       GLN  88 -18.873  10.811   6.672
  694   1HE2  GLN  88          1HE2      GLN  88 -19.114  10.547   4.436
  695   2HE2  GLN  88          2HE2      GLN  88 -20.085   9.362   3.706
  696    H    HIS  89           HN       HIS  89 -15.062   8.220   8.335
  697    HA   HIS  89           HA       HIS  89 -15.771   7.173  11.004
  698   1HB   HIS  89          2HB       HIS  89 -13.967   6.364   8.784
  699   2HB   HIS  89          1HB       HIS  89 -13.458   5.922  10.414
  700    HD1  HIS  89           HD1      HIS  89 -14.500   3.855  11.352
  701    HD2  HIS  89           HD2      HIS  89 -16.788   5.461   8.260
  702    HE1  HIS  89           HE1      HIS  89 -16.410   2.239  10.962
  703    HA   PRO  90           HA       PRO  90 -12.848  10.145  12.787
  704   1HB   PRO  90          2HB       PRO  90 -13.867   9.816  15.346
  705   2HB   PRO  90          1HB       PRO  90 -14.462  10.985  14.157
  706   1HG   PRO  90          2HG       PRO  90 -15.781   8.637  15.180
  707   2HG   PRO  90          1HG       PRO  90 -16.414   9.873  14.082
  708   1HD   PRO  90          2HD       PRO  90 -15.433   7.195  13.456
  709   2HD   PRO  90          1HD       PRO  90 -16.335   8.324  12.432
  710    H    ASP  91           HN       ASP  91 -12.951   6.849  12.950
  711    HA   ASP  91           HA       ASP  91 -10.556   6.774  14.726
  712   1HB   ASP  91          2HB       ASP  91 -13.061   5.125  14.939
  713   2HB   ASP  91          1HB       ASP  91 -11.514   4.436  15.434
  714    H    GLN  92           HN       GLN  92 -11.636   6.336  11.713
  715    HA   GLN  92           HA       GLN  92  -9.568   4.306  11.106
  716   1HB   GLN  92          2HB       GLN  92 -12.173   3.491  11.281
  717   2HB   GLN  92          1HB       GLN  92 -12.101   3.991   9.591
  718   1HG   GLN  92          2HG       GLN  92 -10.467   2.410   9.057
  719   2HG   GLN  92          1HG       GLN  92  -9.921   2.270  10.722
  720   1HE2  GLN  92          1HE2      GLN  92 -12.812   1.579   8.688
  721   2HE2  GLN  92          2HE2      GLN  92 -13.291   0.212   9.574
  722    H    GLU  93           HN       GLU  93  -8.285   5.690   9.800
  723    HA   GLU  93           HA       GLU  93  -9.643   7.609   8.046
  724   1HB   GLU  93          2HB       GLU  93  -6.746   7.012   8.687
  725   2HB   GLU  93          1HB       GLU  93  -7.219   8.180   7.455
  726   1HG   GLU  93          HG2       GLU  93  -8.489   9.460   9.109
  727   2HG   GLU  93          HG1       GLU  93  -8.101   8.271  10.353
  728    H    LEU  94           HN       LEU  94  -7.755   7.552   5.913
  729    HA   LEU  94           HA       LEU  94  -8.585   5.017   4.575
  730   1HB   LEU  94          2HB       LEU  94  -9.158   7.513   3.754
  731   2HB   LEU  94          1HB       LEU  94  -7.585   7.321   2.980
  732    HG   LEU  94           HG       LEU  94  -8.481   5.041   2.159
  733   1HD1  LEU  94          1HD1      LEU  94 -10.648   4.493   2.527
  734   2HD1  LEU  94          2HD1      LEU  94 -11.208   6.123   2.158
  735   3HD1  LEU  94          3HD1      LEU  94 -10.623   5.737   3.776
  736   1HD2  LEU  94          1HD2      LEU  94 -10.045   7.290   0.952
  737   2HD2  LEU  94          2HD2      LEU  94  -9.080   6.047   0.157
  738   3HD2  LEU  94          3HD2      LEU  94  -8.286   7.407   0.953
  739    H    VAL  95           HN       VAL  95  -6.962   3.581   4.286
  740    HA   VAL  95           HA       VAL  95  -4.184   4.654   3.978
  741    HB   VAL  95           HB       VAL  95  -4.980   1.933   5.066
  742   1HG1  VAL  95          1HG1      VAL  95  -2.315   3.350   5.229
  743   2HG1  VAL  95          2HG1      VAL  95  -2.723   2.268   3.898
  744   3HG1  VAL  95          3HG1      VAL  95  -2.663   1.652   5.549
  745   1HG2  VAL  95          1HG2      VAL  95  -5.656   3.598   6.676
  746   2HG2  VAL  95          2HG2      VAL  95  -4.154   4.497   6.456
  747   3HG2  VAL  95          3HG2      VAL  95  -4.131   2.918   7.242
  748    H    ILE  96           HN       ILE  96  -3.318   4.244   2.004
  749    HA   ILE  96           HA       ILE  96  -4.811   2.543   0.137
  750    HB   ILE  96           HB       ILE  96  -2.202   3.980  -0.387
  751   1HG1  ILE  96          2HG1      ILE  96  -3.795   5.605   0.527
  752   2HG1  ILE  96          1HG1      ILE  96  -3.626   5.857  -1.208
  753   1HG2  ILE  96          1HG2      ILE  96  -4.036   2.376  -1.943
  754   2HG2  ILE  96          2HG2      ILE  96  -2.486   3.065  -2.423
  755   3HG2  ILE  96          3HG2      ILE  96  -3.962   4.013  -2.597
  756   1HD1  ILE  96          1HD1      ILE  96  -5.858   4.316   0.144
  757   2HD1  ILE  96          2HD1      ILE  96  -5.680   4.538  -1.596
  758   3HD1  ILE  96          3HD1      ILE  96  -5.995   5.929  -0.558
  759    H    ALA  97           HN       ALA  97  -4.001   0.679  -0.851
  760    HA   ALA  97           HA       ALA  97  -1.512  -0.467   0.339
  761   1HB   ALA  97          1HB       ALA  97  -2.797  -2.718  -0.053
  762   2HB   ALA  97          2HB       ALA  97  -4.234  -1.696  -0.011
  763   3HB   ALA  97          3HB       ALA  97  -3.159  -1.761   1.383
  764    H    GLY  98           HN       GLY  98  -2.998   0.631  -2.409
  765   1HA   GLY  98          2HA       GLY  98  -1.907   0.598  -4.546
  766   2HA   GLY  98          1HA       GLY  98  -1.118  -0.911  -4.097
  767    H    GLY  99           HN       GLY  99  -3.434  -2.329  -6.403
  768   1HA   GLY  99          2HA       GLY  99  -0.700  -2.005  -5.545
  769   2HA   GLY  99          1HA       GLY  99  -1.232  -2.569  -7.123
  770    H    ALA 100           HN       ALA 100   0.020  -1.327  -8.453
  771    HA   ALA 100           HA       ALA 100   0.721   1.407  -8.022
  772   1HB   ALA 100          1HB       ALA 100   0.444   0.290 -10.793
  773   2HB   ALA 100          2HB       ALA 100   1.662  -0.383  -9.708
  774   3HB   ALA 100          3HB       ALA 100   1.706   1.329 -10.131
  775    H    GLN 101           HN       GLN 101  -1.950  -0.060  -9.858
  776    HA   GLN 101           HA       GLN 101  -2.945   2.295 -11.049
  777   1HB   GLN 101          2HB       GLN 101  -3.740  -0.333 -10.986
  778   2HB   GLN 101          1HB       GLN 101  -5.028   0.454 -10.074
  779   1HG   GLN 101          2HG       GLN 101  -5.826   1.550 -11.901
  780   2HG   GLN 101          1HG       GLN 101  -4.210   1.892 -12.520
  781   1HE2  GLN 101          1HE2      GLN 101  -3.067  -0.511 -13.020
  782   2HE2  GLN 101          2HE2      GLN 101  -4.014  -1.459 -14.062
  783    H    ILE 102           HN       ILE 102  -3.511   1.027  -7.739
  784    HA   ILE 102           HA       ILE 102  -5.453   3.113  -7.162
  785    HB   ILE 102           HB       ILE 102  -3.933   1.310  -5.257
  786   1HG1  ILE 102          2HG1      ILE 102  -5.189  -0.003  -6.908
  787   2HG1  ILE 102          1HG1      ILE 102  -5.996  -0.080  -5.343
  788   1HG2  ILE 102          1HG2      ILE 102  -5.883   1.776  -3.771
  789   2HG2  ILE 102          2HG2      ILE 102  -6.483   2.929  -4.963
  790   3HG2  ILE 102          3HG2      ILE 102  -4.953   3.228  -4.138
  791   1HD1  ILE 102          1HD1      ILE 102  -7.163   2.143  -6.465
  792   2HD1  ILE 102          2HD1      ILE 102  -7.859   0.524  -6.493
  793   3HD1  ILE 102          3HD1      ILE 102  -6.926   1.106  -7.872
  794    H    PHE 103           HN       PHE 103  -1.949   2.834  -6.931
  795    HA   PHE 103           HA       PHE 103  -1.652   5.002  -5.027
  796   1HB   PHE 103          2HB       PHE 103   0.287   3.803  -7.032
  797   2HB   PHE 103          1HB       PHE 103   0.731   4.986  -5.806
  798    HD1  PHE 103           HD1      PHE 103   1.537   1.915  -6.303
  799    HD2  PHE 103           HD2      PHE 103  -1.041   3.972  -3.547
  800    HE1  PHE 103           HE1      PHE 103   1.835   0.085  -4.657
  801    HE2  PHE 103           HE2      PHE 103  -0.743   2.142  -1.904
  802    HZ   PHE 103           HZ       PHE 103   0.694   0.198  -2.457
  803    H    THR 104           HN       THR 104  -2.200   4.767  -8.442
  804    HA   THR 104           HA       THR 104  -1.206   7.435  -9.081
  805    HB   THR 104           HB       THR 104  -3.188   5.984 -10.800
  806    HG1  THR 104           HG1      THR 104  -0.649   5.192 -11.263
  807   1HG2  THR 104          1HG2      THR 104  -0.573   7.189 -11.651
  808   2HG2  THR 104          2HG2      THR 104  -1.923   8.248 -11.243
  809   3HG2  THR 104          3HG2      THR 104  -2.089   7.070 -12.544
  810    H    ALA 105           HN       ALA 105  -4.482   5.984  -8.843
  811    HA   ALA 105           HA       ALA 105  -5.893   8.425  -9.271
  812   1HB   ALA 105          1HB       ALA 105  -6.566   5.779  -8.050
  813   2HB   ALA 105          2HB       ALA 105  -7.291   6.591  -9.437
  814   3HB   ALA 105          3HB       ALA 105  -7.680   7.123  -7.801
  815    H    PHE 106           HN       PHE 106  -4.396   7.116  -6.368
  816    HA   PHE 106           HA       PHE 106  -5.654   9.267  -4.740
  817   1HB   PHE 106          2HB       PHE 106  -4.093   6.780  -4.027
  818   2HB   PHE 106          1HB       PHE 106  -4.507   8.013  -2.837
  819    HD1  PHE 106           HD1      PHE 106  -6.713   8.201  -1.956
  820    HD2  PHE 106           HD2      PHE 106  -5.936   5.595  -5.277
  821    HE1  PHE 106           HE1      PHE 106  -8.970   7.208  -1.706
  822    HE2  PHE 106           HE2      PHE 106  -8.191   4.601  -5.028
  823    HZ   PHE 106           HZ       PHE 106  -9.709   5.407  -3.241
  824    H    LYS 107           HN       LYS 107  -2.871   8.861  -6.554
  825    HA   LYS 107           HA       LYS 107  -0.807   9.819  -4.878
  826   1HB   LYS 107          2HB       LYS 107   0.413  10.319  -6.850
  827   2HB   LYS 107          1HB       LYS 107  -0.626   8.969  -7.290
  828   1HG   LYS 107          2HG       LYS 107  -2.298  10.683  -8.151
  829   2HG   LYS 107          1HG       LYS 107  -1.033  11.894  -7.943
  830   1HD   LYS 107          2HD       LYS 107   0.104   9.652  -9.315
  831   2HD   LYS 107          1HD       LYS 107  -1.397  10.091 -10.130
  832   1HE   LYS 107          2HE       LYS 107  -0.069  11.626 -11.176
  833   2HE   LYS 107          1HE       LYS 107  -0.341  12.559  -9.704
  834   1HZ   LYS 107          1HE       LYS 107   1.931  10.698 -10.146
  835   2HZ   LYS 107          2HE       LYS 107   1.680  11.671  -8.776
  836   3HZ   LYS 107          3HE       LYS 107   2.017  12.387 -10.280
  837    H    ASP 108           HN       ASP 108  -3.292  11.682  -6.655
  838    HA   ASP 108           HA       ASP 108  -2.134  14.251  -6.127
  839   1HB   ASP 108          2HB       ASP 108  -4.121  13.409  -7.721
  840   2HB   ASP 108          1HB       ASP 108  -5.089  13.987  -6.364
  841    H    ASP 109           HN       ASP 109  -4.472  12.278  -4.305
  842    HA   ASP 109           HA       ASP 109  -4.471  14.404  -2.201
  843   1HB   ASP 109          2HB       ASP 109  -6.465  12.289  -2.982
  844   2HB   ASP 109          1HB       ASP 109  -6.493  12.985  -1.361
  845    H    VAL 110           HN       VAL 110  -2.409  13.647  -1.305
  846    HA   VAL 110           HA       VAL 110  -2.662  11.027   0.115
  847    HB   VAL 110           HB       VAL 110  -0.052  12.436  -0.447
  848   1HG1  VAL 110          1HG1      VAL 110   0.623  10.733   0.875
  849   2HG1  VAL 110          2HG1      VAL 110   0.277   9.679  -0.496
  850   3HG1  VAL 110          3HG1      VAL 110  -0.938   9.921   0.759
  851   1HG2  VAL 110          1HG2      VAL 110  -0.069  10.476  -2.300
  852   2HG2  VAL 110          2HG2      VAL 110  -0.599  12.118  -2.654
  853   3HG2  VAL 110          3HG2      VAL 110  -1.789  10.866  -2.290
  854    H    ASP 111           HN       ASP 111  -1.897  10.974   2.304
  855    HA   ASP 111           HA       ASP 111  -1.622  13.669   3.579
  856   1HB   ASP 111          2HB       ASP 111  -3.741  11.972   3.950
  857   2HB   ASP 111          1HB       ASP 111  -2.671  11.475   5.260
  858    H    THR 112           HN       THR 112  -0.745  10.250   3.637
  859    HA   THR 112           HA       THR 112   1.834  10.974   4.896
  860    HB   THR 112           HB       THR 112   0.169   8.732   6.061
  861    HG1  THR 112           HG1      THR 112   0.551  11.340   7.099
  862   1HG2  THR 112          1HG2      THR 112   2.795   9.015   6.227
  863   2HG2  THR 112          2HG2      THR 112   1.855   8.535   7.640
  864   3HG2  THR 112          3HG2      THR 112   2.369  10.211   7.452
  865    H    LEU 113           HN       LEU 113   3.449   9.826   3.921
  866    HA   LEU 113           HA       LEU 113   2.630   7.505   2.230
  867   1HB   LEU 113          2HB       LEU 113   5.124   9.224   2.081
  868   2HB   LEU 113          1HB       LEU 113   4.703   7.922   0.970
  869    HG   LEU 113           HG       LEU 113   2.756  10.160   1.437
  870   1HD1  LEU 113          1HD1      LEU 113   3.800  11.578  -0.114
  871   2HD1  LEU 113          2HD1      LEU 113   4.812  10.286  -0.758
  872   3HD1  LEU 113          3HD1      LEU 113   5.164  10.975   0.827
  873   1HD2  LEU 113          1HD2      LEU 113   2.545   9.527  -1.142
  874   2HD2  LEU 113          2HD2      LEU 113   1.771   8.544   0.101
  875   3HD2  LEU 113          3HD2      LEU 113   3.308   8.033  -0.596
  876    H    LEU 114           HN       LEU 114   3.437   5.505   2.673
  877    HA   LEU 114           HA       LEU 114   5.671   5.300   4.648
  878   1HB   LEU 114          2HB       LEU 114   3.298   3.417   4.464
  879   2HB   LEU 114          1HB       LEU 114   4.575   3.400   5.681
  880    HG   LEU 114           HG       LEU 114   3.035   5.935   5.345
  881   1HD1  LEU 114          1HD1      LEU 114   1.917   3.343   6.354
  882   2HD1  LEU 114          2HD1      LEU 114   1.120   4.622   5.439
  883   3HD1  LEU 114          3HD1      LEU 114   1.453   4.843   7.157
  884   1HD2  LEU 114          1HD2      LEU 114   4.887   5.777   6.946
  885   2HD2  LEU 114          2HD2      LEU 114   4.128   4.382   7.712
  886   3HD2  LEU 114          3HD2      LEU 114   3.362   5.967   7.810
  887    H    VAL 115           HN       VAL 115   7.195   4.908   3.001
  888    HA   VAL 115           HA       VAL 115   6.685   2.500   1.304
  889    HB   VAL 115           HB       VAL 115   7.059   4.589   0.046
  890   1HG1  VAL 115          1HG1      VAL 115   8.417   5.836   1.601
  891   2HG1  VAL 115          2HG1      VAL 115   9.379   5.587   0.144
  892   3HG1  VAL 115          3HG1      VAL 115   9.674   4.600   1.575
  893   1HG2  VAL 115          1HG2      VAL 115   9.300   2.549  -0.081
  894   2HG2  VAL 115          2HG2      VAL 115   9.022   3.778  -1.315
  895   3HG2  VAL 115          3HG2      VAL 115   7.802   2.540  -1.012
  896    H    THR 116           HN       THR 116   8.202   0.853   1.238
  897    HA   THR 116           HA       THR 116  10.363   0.990   3.301
  898    HB   THR 116           HB       THR 116   9.381  -1.576   2.073
  899    HG1  THR 116           HG1      THR 116   7.769  -1.662   3.610
  900   1HG2  THR 116          1HG2      THR 116   9.844  -2.137   4.629
  901   2HG2  THR 116          2HG2      THR 116  10.827  -0.676   4.526
  902   3HG2  THR 116          3HG2      THR 116  11.164  -2.042   3.463
  903    H    ARG 117           HN       ARG 117  12.390   1.167   2.449
  904    HA   ARG 117           HA       ARG 117  12.782   0.411  -0.405
  905   1HB   ARG 117          2HB       ARG 117  14.140   2.308   1.479
  906   2HB   ARG 117          1HB       ARG 117  15.060   1.650   0.126
  907   1HG   ARG 117          2HG       ARG 117  13.134   2.375  -1.377
  908   2HG   ARG 117          1HG       ARG 117  12.503   3.264   0.010
  909   1HD   ARG 117          2HD       ARG 117  15.085   4.100   0.046
  910   2HD   ARG 117          1HD       ARG 117  14.869   3.840  -1.684
  911    HE   ARG 117           HE       ARG 117  13.496   5.867  -0.047
  912   1HH1  ARG 117          1HH2      ARG 117  13.654   4.087  -3.030
  913   2HH1  ARG 117          2HH2      ARG 117  12.749   5.266  -3.913
  914   1HH2  ARG 117          1HH1      ARG 117  12.312   7.382  -1.210
  915   2HH2  ARG 117          2HH1      ARG 117  11.992   7.118  -2.892
  916    H    LEU 118           HN       LEU 118  13.621  -1.586  -0.725
  917    HA   LEU 118           HA       LEU 118  15.088  -2.955   1.420
  918   1HB   LEU 118          2HB       LEU 118  14.208  -3.742  -1.358
  919   2HB   LEU 118          1HB       LEU 118  15.296  -4.761  -0.419
  920    HG   LEU 118           HG       LEU 118  13.601  -4.698   1.452
  921   1HD1  LEU 118          1HD1      LEU 118  12.327  -2.749   0.932
  922   2HD1  LEU 118          2HD1      LEU 118  11.245  -4.110   0.635
  923   3HD1  LEU 118          3HD1      LEU 118  12.030  -3.295  -0.719
  924   1HD2  LEU 118          1HD2      LEU 118  13.823  -6.497  -0.407
  925   2HD2  LEU 118          2HD2      LEU 118  12.359  -5.778  -1.079
  926   3HD2  LEU 118          3HD2      LEU 118  12.337  -6.476   0.541
  927    H    ALA 119           HN       ALA 119  17.274  -3.814   1.090
  928    HA   ALA 119           HA       ALA 119  18.993  -1.843  -0.245
  929   1HB   ALA 119          1HB       ALA 119  19.420  -2.995   2.036
  930   2HB   ALA 119          2HB       ALA 119  20.783  -2.840   0.927
  931   3HB   ALA 119          3HB       ALA 119  19.941  -4.382   1.078
  932    H    GLY 120           HN       GLY 120  17.889  -5.138  -0.801
  933   1HA   GLY 120          2HA       GLY 120  19.873  -5.695  -2.863
  934   2HA   GLY 120          1HA       GLY 120  18.443  -6.667  -2.512
  935    H    SER 121           HN       SER 121  18.959  -6.338  -5.135
  936    HA   SER 121           HA       SER 121  16.964  -4.279  -5.990
  937   1HB   SER 121          2HB       SER 121  19.281  -3.678  -6.676
  938   2HB   SER 121          1HB       SER 121  19.407  -5.214  -7.528
  939    HG   SER 121           HG       SER 121  17.725  -4.561  -8.865
  940    H    PHE 122           HN       PHE 122  15.167  -5.362  -6.637
  941    HA   PHE 122           HA       PHE 122  15.517  -8.022  -7.949
  942   1HB   PHE 122          2HB       PHE 122  13.015  -6.829  -6.718
  943   2HB   PHE 122          1HB       PHE 122  13.215  -8.482  -7.300
  944    HD1  PHE 122           HD1      PHE 122  14.506 -10.119  -6.046
  945    HD2  PHE 122           HD2      PHE 122  14.133  -6.069  -4.664
  946    HE1  PHE 122           HE1      PHE 122  15.400 -10.792  -3.832
  947    HE2  PHE 122           HE2      PHE 122  15.027  -6.742  -2.450
  948    HZ   PHE 122           HZ       PHE 122  15.660  -9.103  -2.035
  949    H    GLU 123           HN       GLU 123  14.028  -8.475  -9.780
  950    HA   GLU 123           HA       GLU 123  13.459  -5.978 -11.325
  951   1HB   GLU 123          2HB       GLU 123  13.674  -7.457 -13.353
  952   2HB   GLU 123          1HB       GLU 123  15.167  -7.281 -12.431
  953   1HG   GLU 123          HG2       GLU 123  14.798  -9.428 -11.339
  954   2HG   GLU 123          HG1       GLU 123  13.230  -9.594 -12.130
  955    H    GLY 124           HN       GLY 124  11.529  -5.978 -12.641
  956   1HA   GLY 124          2HA       GLY 124   9.584  -8.115 -12.523
  957   2HA   GLY 124          1HA       GLY 124   9.161  -6.804 -11.418
  958    H    ASP 125           HN       ASP 125   7.256  -6.365 -12.842
  959    HA   ASP 125           HA       ASP 125   8.074  -4.735 -15.198
  960   1HB   ASP 125          2HB       ASP 125   6.559  -7.162 -15.229
  961   2HB   ASP 125          1HB       ASP 125   5.469  -5.838 -15.639
  962    H    THR 126           HN       THR 126   6.498  -4.873 -12.241
  963    HA   THR 126           HA       THR 126   4.739  -2.560 -12.950
  964    HB   THR 126           HB       THR 126   4.357  -4.051 -10.392
  965    HG1  THR 126           HG1      THR 126   3.376  -4.982 -12.880
  966   1HG2  THR 126          1HG2      THR 126   2.215  -3.217 -10.535
  967   2HG2  THR 126          2HG2      THR 126   2.189  -3.296 -12.297
  968   3HG2  THR 126          3HG2      THR 126   3.058  -1.994 -11.485
  969    H    LYS 127           HN       LYS 127   5.562  -0.665 -12.240
  970    HA   LYS 127           HA       LYS 127   7.268  -0.711  -9.782
  971   1HB   LYS 127          2HB       LYS 127   7.425   0.988 -12.279
  972   2HB   LYS 127          1HB       LYS 127   8.253   1.431 -10.785
  973   1HG   LYS 127          2HG       LYS 127   9.450  -0.716 -10.793
  974   2HG   LYS 127          1HG       LYS 127   8.606  -1.193 -12.266
  975   1HD   LYS 127          2HD       LYS 127   9.978   1.431 -12.381
  976   2HD   LYS 127          1HD       LYS 127  11.038   0.027 -12.258
  977   1HE   LYS 127          2HE       LYS 127   9.609  -0.990 -14.150
  978   2HE   LYS 127          1HE       LYS 127   8.994   0.645 -14.393
  979   1HZ   LYS 127          1HE       LYS 127  11.668  -0.428 -14.870
  980   2HZ   LYS 127          2HE       LYS 127  11.561   1.177 -14.323
  981   3HZ   LYS 127          3HE       LYS 127  10.784   0.712 -15.760
  982    H    MET 128           HN       MET 128   7.022   1.100  -8.338
  983    HA   MET 128           HA       MET 128   4.316   1.955  -7.965
  984   1HB   MET 128          2HB       MET 128   6.391   1.846  -6.309
  985   2HB   MET 128          1HB       MET 128   6.577   3.530  -6.798
  986   1HG   MET 128          2HG       MET 128   3.805   2.740  -6.155
  987   2HG   MET 128          1HG       MET 128   4.917   2.686  -4.789
  988   1HE   MET 128          1HE       MET 128   3.011   3.996  -4.167
  989   2HE   MET 128          2HE       MET 128   2.621   5.650  -4.631
  990   3HE   MET 128          3HE       MET 128   3.865   5.353  -3.420
  991    H    ILE 129           HN       ILE 129   3.523   4.188  -8.041
  992    HA   ILE 129           HA       ILE 129   4.232   5.503 -10.533
  993    HB   ILE 129           HB       ILE 129   2.499   7.148  -9.852
  994   1HG1  ILE 129          2HG1      ILE 129   1.770   5.590  -7.439
  995   2HG1  ILE 129          1HG1      ILE 129   3.242   6.551  -7.289
  996   1HG2  ILE 129          1HG2      ILE 129   0.618   5.571  -9.790
  997   2HG2  ILE 129          2HG2      ILE 129   1.709   4.267  -9.325
  998   3HG2  ILE 129          3HG2      ILE 129   1.848   5.007 -10.920
  999   1HD1  ILE 129          1HD1      ILE 129   0.964   7.676  -6.707
 1000   2HD1  ILE 129          2HD1      ILE 129   0.743   7.763  -8.454
 1001   3HD1  ILE 129          3HD1      ILE 129   2.115   8.573  -7.698
 1002    HA   PRO 130           HA       PRO 130   7.059   8.593  -9.070
 1003   1HB   PRO 130          2HB       PRO 130   6.082  10.777 -10.562
 1004   2HB   PRO 130          1HB       PRO 130   7.297   9.603 -11.085
 1005   1HG   PRO 130          2HG       PRO 130   4.654   9.941 -12.088
 1006   2HG   PRO 130          1HG       PRO 130   5.850   8.726 -12.561
 1007   1HD   PRO 130          2HD       PRO 130   3.494   8.429 -10.852
 1008   2HD   PRO 130          1HD       PRO 130   4.480   7.179 -11.627
 1009    H    LEU 131           HN       LEU 131   6.655   9.144  -6.932
 1010    HA   LEU 131           HA       LEU 131   4.321  10.855  -6.303
 1011   1HB   LEU 131          2HB       LEU 131   6.234   9.185  -4.719
 1012   2HB   LEU 131          1HB       LEU 131   5.431  10.533  -3.910
 1013    HG   LEU 131           HG       LEU 131   3.946   8.443  -5.518
 1014   1HD1  LEU 131          1HD1      LEU 131   3.278   7.557  -3.253
 1015   2HD1  LEU 131          2HD1      LEU 131   4.522   8.588  -2.546
 1016   3HD1  LEU 131          3HD1      LEU 131   4.974   7.294  -3.656
 1017   1HD2  LEU 131          1HD2      LEU 131   2.644   9.945  -3.333
 1018   2HD2  LEU 131          2HD2      LEU 131   2.058   9.591  -4.958
 1019   3HD2  LEU 131          3HD2      LEU 131   3.162  10.940  -4.694
 1020    H    ASN 132           HN       ASN 132   4.674  12.814  -4.949
 1021    HA   ASN 132           HA       ASN 132   7.069  14.275  -5.914
 1022   1HB   ASN 132          2HB       ASN 132   4.448  15.019  -5.819
 1023   2HB   ASN 132          1HB       ASN 132   5.041  15.716  -4.311
 1024   1HD2  ASN 132          1HD2      ASN 132   5.178  17.925  -4.952
 1025   2HD2  ASN 132          2HD2      ASN 132   6.180  18.468  -6.210
 1026    H    TRP 133           HN       TRP 133   8.289  12.856  -4.274
 1027    HA   TRP 133           HA       TRP 133   8.058  13.070  -1.482
 1028   1HB   TRP 133          2HB       TRP 133  10.653  13.045  -3.054
 1029   2HB   TRP 133          1HB       TRP 133  10.450  12.564  -1.369
 1030    HD1  TRP 133           HD1      TRP 133  10.090  11.316  -4.885
 1031    HE1  TRP 133           HE1      TRP 133   9.256   8.876  -4.862
 1032    HE3  TRP 133           HE3      TRP 133   8.869  10.847   0.050
 1033    HZ2  TRP 133           HZ2      TRP 133   8.211   6.978  -2.996
 1034    HZ3  TRP 133           HZ3      TRP 133   7.958   8.715   0.923
 1035    HH2  TRP 133           HH2      TRP 133   7.627   6.782  -0.592
 1036    H    ASP 134           HN       ASP 134   9.219  15.442  -3.783
 1037    HA   ASP 134           HA       ASP 134  10.600  17.162  -1.965
 1038   1HB   ASP 134          2HB       ASP 134   9.527  17.331  -4.703
 1039   2HB   ASP 134          1HB       ASP 134   9.556  18.874  -3.849
 1040    H    ASP 135           HN       ASP 135   7.178  16.706  -2.624
 1041    HA   ASP 135           HA       ASP 135   6.455  19.156  -1.143
 1042   1HB   ASP 135          2HB       ASP 135   5.158  17.380  -3.030
 1043   2HB   ASP 135          1HB       ASP 135   4.148  17.598  -1.601
 1044    H    PHE 136           HN       PHE 136   7.241  15.972  -0.365
 1045    HA   PHE 136           HA       PHE 136   5.627  16.130   2.151
 1046   1HB   PHE 136          2HB       PHE 136   6.624  13.736   0.592
 1047   2HB   PHE 136          1HB       PHE 136   6.004  13.616   2.238
 1048    HD1  PHE 136           HD1      PHE 136   5.115  14.843  -1.178
 1049    HD2  PHE 136           HD2      PHE 136   3.684  13.504   2.644
 1050    HE1  PHE 136           HE1      PHE 136   2.796  14.822  -2.053
 1051    HE2  PHE 136           HE2      PHE 136   1.365  13.483   1.768
 1052    HZ   PHE 136           HZ       PHE 136   0.921  14.142  -0.581
 1053    H    THR 137           HN       THR 137   6.737  15.119   4.061
 1054    HA   THR 137           HA       THR 137   9.710  15.291   3.887
 1055    HB   THR 137           HB       THR 137   8.181  16.436   6.224
 1056    HG1  THR 137           HG1      THR 137   8.492  18.459   5.200
 1057   1HG2  THR 137          1HG2      THR 137  10.476  17.828   6.031
 1058   2HG2  THR 137          2HG2      THR 137  10.993  16.327   5.264
 1059   3HG2  THR 137          3HG2      THR 137  10.364  16.305   6.912
 1060    H    LYS 138           HN       LYS 138  10.704  13.615   4.951
 1061    HA   LYS 138           HA       LYS 138   9.091  11.514   6.114
 1062   1HB   LYS 138          2HB       LYS 138  11.339  11.286   4.891
 1063   2HB   LYS 138          1HB       LYS 138  12.085  11.827   6.393
 1064   1HG   LYS 138          2HG       LYS 138  10.085   9.659   6.673
 1065   2HG   LYS 138          1HG       LYS 138  11.573   9.219   5.835
 1066   1HD   LYS 138          2HD       LYS 138  11.493  10.620   8.521
 1067   2HD   LYS 138          1HD       LYS 138  11.688   8.879   8.320
 1068   1HE   LYS 138          2HE       LYS 138  13.845   9.070   7.596
 1069   2HE   LYS 138          1HE       LYS 138  13.521  10.556   6.705
 1070   1HZ   LYS 138          1HE       LYS 138  13.557  11.799   8.724
 1071   2HZ   LYS 138          2HE       LYS 138  14.972  10.859   8.667
 1072   3HZ   LYS 138          3HE       LYS 138  13.677  10.392   9.663
 1073    H    VAL 139           HN       VAL 139   8.278  11.584   8.151
 1074    HA   VAL 139           HA       VAL 139   9.598  13.338  10.157
 1075    HB   VAL 139           HB       VAL 139   7.476  12.989  11.451
 1076   1HG1  VAL 139          1HG1      VAL 139   6.594  13.854   8.740
 1077   2HG1  VAL 139          2HG1      VAL 139   7.965  14.712   9.442
 1078   3HG1  VAL 139          3HG1      VAL 139   6.421  14.672  10.293
 1079   1HG2  VAL 139          1HG2      VAL 139   6.151  11.897   9.024
 1080   2HG2  VAL 139          2HG2      VAL 139   5.812  11.587  10.727
 1081   3HG2  VAL 139          3HG2      VAL 139   7.155  10.766   9.931
 1082    H    SER 140           HN       SER 140   8.993   9.973   9.444
 1083    HA   SER 140           HA       SER 140  10.540   9.257  11.878
 1084   1HB   SER 140          2HB       SER 140   7.712   8.568  11.330
 1085   2HB   SER 140          1HB       SER 140   8.725   7.228  11.858
 1086    HG   SER 140           HG       SER 140   8.359   9.736  13.144
 1087    H    SER 141           HN       SER 141  11.943   7.579  11.506
 1088    HA   SER 141           HA       SER 141  11.510   5.783   9.207
 1089   1HB   SER 141          2HB       SER 141  13.422   8.007   9.192
 1090   2HB   SER 141          1HB       SER 141  14.169   6.452   8.836
 1091    HG   SER 141           HG       SER 141  13.397   7.225   6.922
 1092    H    ARG 142           HN       ARG 142  12.350   3.764   9.624
 1093    HA   ARG 142           HA       ARG 142  14.318   3.508  11.856
 1094   1HB   ARG 142          2HB       ARG 142  11.804   2.888  12.352
 1095   2HB   ARG 142          1HB       ARG 142  12.175   1.443  11.411
 1096   1HG   ARG 142          2HG       ARG 142  12.966   0.584  13.350
 1097   2HG   ARG 142          1HG       ARG 142  14.358   1.636  13.096
 1098   1HD   ARG 142          2HD       ARG 142  13.434   1.978  15.347
 1099   2HD   ARG 142          1HD       ARG 142  13.221   3.431  14.370
 1100    HE   ARG 142           HE       ARG 142  10.901   1.738  14.158
 1101   1HH1  ARG 142          1HH2      ARG 142  12.576   3.925  16.269
 1102   2HH1  ARG 142          2HH2      ARG 142  11.138   4.410  17.101
 1103   1HH2  ARG 142          1HH1      ARG 142   9.037   2.376  15.245
 1104   2HH2  ARG 142          2HH1      ARG 142   9.144   3.538  16.525
 1105    H    THR 143           HN       THR 143  16.048   2.173  11.286
 1106    HA   THR 143           HA       THR 143  15.783   0.726   8.688
 1107    HB   THR 143           HB       THR 143  18.392   1.365  10.058
 1108    HG1  THR 143           HG1      THR 143  18.364   3.271   8.722
 1109   1HG2  THR 143          1HG2      THR 143  19.055   0.182   8.245
 1110   2HG2  THR 143          2HG2      THR 143  18.659   1.634   7.325
 1111   3HG2  THR 143          3HG2      THR 143  17.479   0.331   7.466
 1112    H    VAL 144           HN       VAL 144  15.941  -1.478   8.712
 1113    HA   VAL 144           HA       VAL 144  16.995  -2.745  11.205
 1114    HB   VAL 144           HB       VAL 144  14.536  -2.926  11.119
 1115   1HG1  VAL 144          1HG1      VAL 144  13.395  -3.982   9.307
 1116   2HG1  VAL 144          2HG1      VAL 144  14.908  -4.528   8.582
 1117   3HG1  VAL 144          3HG1      VAL 144  14.492  -2.815   8.568
 1118   1HG2  VAL 144          1HG2      VAL 144  14.965  -4.889  12.148
 1119   2HG2  VAL 144          2HG2      VAL 144  16.403  -5.152  11.162
 1120   3HG2  VAL 144          3HG2      VAL 144  14.824  -5.674  10.576
 1121    H    GLU 145           HN       GLU 145  18.618  -4.148  10.837
 1122    HA   GLU 145           HA       GLU 145  19.329  -4.824   8.058
 1123   1HB   GLU 145          2HB       GLU 145  21.411  -5.684   9.028
 1124   2HB   GLU 145          1HB       GLU 145  21.080  -4.071   9.657
 1125   1HG   GLU 145          HG2       GLU 145  19.804  -5.499  11.538
 1126   2HG   GLU 145          HG1       GLU 145  20.995  -6.705  11.053
 1127    H    ASP 146           HN       ASP 146  19.884  -7.108   7.528
 1128    HA   ASP 146           HA       ASP 146  18.444  -9.118   9.179
 1129   1HB   ASP 146          2HB       ASP 146  17.317  -8.055   6.871
 1130   2HB   ASP 146          1HB       ASP 146  18.062  -9.551   6.306
 1131    H    THR 147           HN       THR 147  19.126 -11.339   8.659
 1132    HA   THR 147           HA       THR 147  21.942 -11.602   8.290
 1133    HB   THR 147           HB       THR 147  21.331 -14.072   7.868
 1134    HG1  THR 147           HG1      THR 147  19.312 -14.175   7.251
 1135   1HG2  THR 147          1HG2      THR 147  20.117 -12.867  10.360
 1136   2HG2  THR 147          2HG2      THR 147  21.860 -12.955  10.103
 1137   3HG2  THR 147          3HG2      THR 147  20.905 -14.436  10.186
 1138    H    ASN 148           HN       ASN 148  19.286 -11.514   6.049
 1139    HA   ASN 148           HA       ASN 148  20.984 -12.395   3.790
 1140   1HB   ASN 148          2HB       ASN 148  18.393 -12.860   4.219
 1141   2HB   ASN 148          1HB       ASN 148  18.233 -11.318   3.382
 1142   1HD2  ASN 148          1HD2      ASN 148  20.151 -14.358   2.982
 1143   2HD2  ASN 148          2HD2      ASN 148  19.938 -14.437   1.300
 1144    HA   PRO 149           HA       PRO 149  22.500  -8.230   3.127
 1145   1HB   PRO 149          2HB       PRO 149  22.954  -8.958   0.359
 1146   2HB   PRO 149          1HB       PRO 149  24.140  -8.661   1.636
 1147   1HG   PRO 149          2HG       PRO 149  23.303 -11.170   0.529
 1148   2HG   PRO 149          1HG       PRO 149  24.537 -10.865   1.759
 1149   1HD   PRO 149          2HD       PRO 149  22.051 -12.108   2.168
 1150   2HD   PRO 149          1HD       PRO 149  23.158 -11.531   3.422
 1151    H    ALA 150           HN       ALA 150  20.451  -9.789   0.641
 1152    HA   ALA 150           HA       ALA 150  19.539  -7.223  -0.387
 1153   1HB   ALA 150          1HB       ALA 150  19.076 -10.085  -0.999
 1154   2HB   ALA 150          2HB       ALA 150  19.351  -8.727  -2.091
 1155   3HB   ALA 150          3HB       ALA 150  17.751  -8.992  -1.400
 1156    H    LEU 151           HN       LEU 151  18.326  -9.507   2.025
 1157    HA   LEU 151           HA       LEU 151  15.653  -8.382   2.053
 1158   1HB   LEU 151          2HB       LEU 151  17.086 -10.034   4.148
 1159   2HB   LEU 151          1HB       LEU 151  15.360  -9.678   4.131
 1160    HG   LEU 151           HG       LEU 151  16.863 -11.160   1.950
 1161   1HD1  LEU 151          1HD1      LEU 151  14.799 -12.719   3.123
 1162   2HD1  LEU 151          2HD1      LEU 151  15.735 -12.036   4.452
 1163   3HD1  LEU 151          3HD1      LEU 151  16.538 -12.996   3.210
 1164   1HD2  LEU 151          1HD2      LEU 151  13.923 -10.499   2.321
 1165   2HD2  LEU 151          2HD2      LEU 151  14.544 -11.615   1.106
 1166   3HD2  LEU 151          3HD2      LEU 151  14.980  -9.908   1.039
 1167    H    THR 152           HN       THR 152  18.509  -6.956   2.942
 1168    HA   THR 152           HA       THR 152  17.752  -5.764   5.472
 1169    HB   THR 152           HB       THR 152  19.651  -4.668   3.369
 1170    HG1  THR 152           HG1      THR 152  20.428  -6.633   3.870
 1171   1HG2  THR 152          1HG2      THR 152  18.737  -3.395   5.564
 1172   2HG2  THR 152          2HG2      THR 152  20.378  -3.184   4.953
 1173   3HG2  THR 152          3HG2      THR 152  20.069  -4.297   6.286
 1174    H    HIS 153           HN       HIS 153  16.710  -3.692   5.785
 1175    HA   HIS 153           HA       HIS 153  16.047  -2.044   3.482
 1176   1HB   HIS 153          2HB       HIS 153  13.562  -2.379   3.655
 1177   2HB   HIS 153          1HB       HIS 153  14.433  -3.777   3.026
 1178    HD1  HIS 153           HD1      HIS 153  15.143  -5.570   5.045
 1179    HD2  HIS 153           HD2      HIS 153  11.898  -3.049   5.746
 1180    HE1  HIS 153           HE1      HIS 153  13.813  -6.622   6.926
 1181    H    THR 154           HN       THR 154  14.460  -0.287   4.104
 1182    HA   THR 154           HA       THR 154  14.557   0.315   7.025
 1183    HB   THR 154           HB       THR 154  15.072   2.359   4.848
 1184    HG1  THR 154           HG1      THR 154  16.750   0.851   4.872
 1185   1HG2  THR 154          1HG2      THR 154  15.751   3.784   6.645
 1186   2HG2  THR 154          2HG2      THR 154  15.729   2.449   7.795
 1187   3HG2  THR 154          3HG2      THR 154  14.218   3.066   7.135
 1188    H    TYR 155           HN       TYR 155  12.839   1.801   7.697
 1189    HA   TYR 155           HA       TYR 155  10.522   1.771   5.807
 1190   1HB   TYR 155          2HB       TYR 155  10.595   1.979   8.836
 1191   2HB   TYR 155          1HB       TYR 155   9.129   2.029   7.858
 1192    HD1  TYR 155           HD1      TYR 155   8.599   0.027   6.358
 1193    HD2  TYR 155           HD2      TYR 155  11.574  -0.084   9.454
 1194    HE1  TYR 155           HE1      TYR 155   8.518  -2.451   6.346
 1195    HE2  TYR 155           HE2      TYR 155  11.494  -2.563   9.442
 1196    HH   TYR 155           HH       TYR 155  10.846  -4.372   7.739
 1197    H    GLU 156           HN       GLU 156   9.937   3.761   4.988
 1198    HA   GLU 156           HA       GLU 156  10.878   6.168   6.492
 1199   1HB   GLU 156          2HB       GLU 156  10.352   5.876   3.519
 1200   2HB   GLU 156          1HB       GLU 156  10.947   7.326   4.328
 1201   1HG   GLU 156          HG2       GLU 156  13.003   6.264   4.927
 1202   2HG   GLU 156          HG1       GLU 156  12.387   4.671   4.486
 1203    H    VAL 157           HN       VAL 157   9.267   7.358   7.355
 1204    HA   VAL 157           HA       VAL 157   6.520   7.092   6.196
 1205    HB   VAL 157           HB       VAL 157   7.275   8.095   8.957
 1206   1HG1  VAL 157          1HG1      VAL 157   4.769   7.693   7.438
 1207   2HG1  VAL 157          2HG1      VAL 157   5.106   8.774   8.789
 1208   3HG1  VAL 157          3HG1      VAL 157   4.745   7.075   9.090
 1209   1HG2  VAL 157          1HG2      VAL 157   6.354   5.324   8.125
 1210   2HG2  VAL 157          2HG2      VAL 157   6.649   5.865   9.777
 1211   3HG2  VAL 157          3HG2      VAL 157   7.990   5.737   8.638
 1212    H    TRP 158           HN       TRP 158   5.753   8.900   5.158
 1213    HA   TRP 158           HA       TRP 158   7.115  11.495   5.767
 1214   1HB   TRP 158          2HB       TRP 158   5.796  10.598   3.189
 1215   2HB   TRP 158          1HB       TRP 158   6.543  12.169   3.462
 1216    HD1  TRP 158           HD1      TRP 158   7.545   8.434   3.625
 1217    HE1  TRP 158           HE1      TRP 158  10.004   8.237   2.877
 1218    HE3  TRP 158           HE3      TRP 158   8.650  13.368   2.915
 1219    HZ2  TRP 158           HZ2      TRP 158  12.156   9.947   2.084
 1220    HZ3  TRP 158           HZ3      TRP 158  10.908  14.056   2.163
 1221    HH2  TRP 158           HH2      TRP 158  12.662  12.353   1.747
 1222    H    GLN 159           HN       GLN 159   5.739  13.419   5.483
 1223    HA   GLN 159           HA       GLN 159   2.818  12.926   5.796
 1224   1HB   GLN 159          2HB       GLN 159   4.630  14.475   7.659
 1225   2HB   GLN 159          1HB       GLN 159   2.904  14.824   7.557
 1226   1HG   GLN 159          2HG       GLN 159   3.611  11.959   7.838
 1227   2HG   GLN 159          1HG       GLN 159   3.953  12.969   9.243
 1228   1HE2  GLN 159          1HE2      GLN 159   2.213  13.107  10.655
 1229   2HE2  GLN 159          2HE2      GLN 159   0.578  13.008  10.207
 1230    H    LYS 160           HN       LYS 160   1.571  14.584   4.758
 1231    HA   LYS 160           HA       LYS 160   3.049  16.272   2.913
 1232   1HB   LYS 160          2HB       LYS 160   0.692  15.146   2.652
 1233   2HB   LYS 160          1HB       LYS 160   0.116  16.587   3.490
 1234   1HG   LYS 160          2HG       LYS 160   1.999  17.337   1.427
 1235   2HG   LYS 160          1HG       LYS 160   0.719  16.337   0.740
 1236   1HD   LYS 160          2HD       LYS 160  -0.705  18.005   2.400
 1237   2HD   LYS 160          1HD       LYS 160   0.582  19.069   1.834
 1238   1HE   LYS 160          2HE       LYS 160  -0.639  17.384  -0.264
 1239   2HE   LYS 160          1HE       LYS 160  -1.719  18.585   0.443
 1240   1HZ   LYS 160          1HE       LYS 160   0.745  18.970  -1.090
 1241   2HZ   LYS 160          2HE       LYS 160   0.372  20.106   0.117
 1242   3HZ   LYS 160          3HE       LYS 160  -0.716  19.829  -1.158
 1243    H    LYS 161           HN       LYS 161   3.653  18.360   3.237
 1244    HA   LYS 161           HA       LYS 161   3.061  19.615   5.826
 1245   1HB   LYS 161          2HB       LYS 161   4.671  20.626   3.462
 1246   2HB   LYS 161          1HB       LYS 161   4.622  21.365   5.062
 1247   1HG   LYS 161          2HG       LYS 161   5.235  18.507   5.181
 1248   2HG   LYS 161          1HG       LYS 161   6.416  19.407   4.230
 1249   1HD   LYS 161          2HD       LYS 161   7.300  19.669   6.361
 1250   2HD   LYS 161          1HD       LYS 161   6.282  21.105   6.254
 1251   1HE   LYS 161          2HE       LYS 161   4.490  19.243   7.164
 1252   2HE   LYS 161          1HE       LYS 161   5.977  18.706   7.945
 1253   1HZ   LYS 161          1HE       LYS 161   4.527  21.237   8.246
 1254   2HZ   LYS 161          2HE       LYS 161   6.214  21.240   8.447
 1255   3HZ   LYS 161          3HE       LYS 161   5.239  20.255   9.430
 1256    H    ALA 162           HN       ALA 162   2.299  21.904   5.883
 1257    HA   ALA 162           HA       ALA 162   0.031  22.247   4.004
 1258   1HB   ALA 162          1HB       ALA 162  -0.847  22.697   6.074
 1259   2HB   ALA 162          2HB       ALA 162  -0.233  24.313   5.726
 1260   3HB   ALA 162          3HB       ALA 162   0.705  23.211   6.734
 1261   AH51  NDP 168          AH51      NDP 168  -5.817  -0.851  -9.470
 1262   AH52  NDP 168          AH52      NDP 168  -6.127  -2.268  -8.457
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.527  -3.235 -10.305
 1264   AH3*  NDP 168          AH3*      NDP 168  -6.888  -0.632 -11.708
 1265   AHO3  NDP 168          AHO3      NDP 168  -5.878  -2.583 -12.420
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.115  -0.673 -12.582
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.347  -1.374 -10.208
 1268   AH8   NDP 168          AH8       NDP 168  -7.318   1.027 -10.393
 1269   AH61  NDP 168          AH61      NDP 168 -11.587   5.456  -9.572
 1270   AH62  NDP 168          AH62      NDP 168  -9.875   5.118  -9.676
 1271   AH2   NDP 168          AH2       NDP 168 -13.708   1.510  -9.808
 1272   NH51  NDP 168          NH51      NDP 168  -1.548  -4.883  -9.571
 1273   NH52  NDP 168          NH52      NDP 168  -1.370  -3.888  -8.120
 1274   NH4*  NDP 168          NH4*      NDP 168   0.798  -5.618  -9.403
 1275   NH3*  NDP 168          NH3*      NDP 168  -0.813  -6.018  -6.870
 1276   NHO3  NDP 168          NHO3      NDP 168   0.048  -7.615  -9.082
 1277   NH2*  NDP 168          NH2*      NDP 168   1.134  -7.089  -5.958
 1278   NHO2  NDP 168          NHO2      NDP 168   3.019  -7.403  -7.348
 1279   NH1*  NDP 168          NH1*      NDP 168   2.939  -5.210  -6.921
 1280   NH2   NDP 168          NH2       NDP 168   3.459  -3.749  -5.087
 1281   NH71  NDP 168          NH71      NDP 168   4.828  -3.012  -4.424
 1282   NH72  NDP 168          NH72      NDP 168   5.351  -2.269  -2.931
 1283   NH41  NDP 168          NH41      NDP 168   0.380  -2.540  -2.878
 1284   NH42  NDP 168          NH42      NDP 168   0.890  -4.054  -2.056
 1285   NH5   NDP 168          NH5       NDP 168  -1.178  -4.402  -3.396
 1286   NH6   NDP 168          NH6       NDP 168  -0.529  -5.456  -5.613
 1287    H1   TRR 170           H1       TRR 170   4.744  -5.372   2.080
 1288   1H2   TRR 170          1H2       TRR 170   4.580  -1.913   2.914
 1289   2H2   TRR 170          2H2       TRR 170   5.506  -3.340   3.075
 1290   1H4   TRR 170          1H4       TRR 170  -0.084  -3.430  -0.241
 1291   2H4   TRR 170          2H4       TRR 170   0.467  -1.984   0.473
 1292    H6   TRR 170           H6       TRR 170   3.163  -6.678   0.798
 1293   1H7   TRR 170          1H7       TRR 170   1.081  -5.582  -1.359
 1294   2H7   TRR 170          2H7       TRR 170  -0.121  -5.310  -0.094
 1295    H12  TRR 170           H12      TRR 170   1.523  -7.766  -1.955
 1296    H16  TRR 170           H16      TRR 170   0.145  -6.906   2.044
 1297   1H17  TRR 170          1H17      TRR 170   2.398 -10.778  -3.494
 1298   2H17  TRR 170          2H17      TRR 170   2.689  -9.177  -2.833
 1299   3H17  TRR 170          3H17      TRR 170   1.107  -9.585  -3.475
 1300   1H18  TRR 170          1H18      TRR 170   2.271 -11.364   2.276
 1301   2H18  TRR 170          2H18      TRR 170   2.749 -11.800   0.642
 1302   3H18  TRR 170          3H18      TRR 170   1.785 -12.913   1.602
 1303   1H19  TRR 170          1H19      TRR 170   0.507  -8.071   4.254
 1304   2H19  TRR 170          2H19      TRR 170  -0.924  -9.030   4.602
 1305   3H19  TRR 170          3H19      TRR 170  -0.990  -7.762   3.388
  Start of MODEL    3
    1   1H    THR   1          1H        THR   1  -6.662  10.450   2.961
    2   2H    THR   1          2H        THR   1  -5.063  10.759   3.445
    3   3H    THR   1          3H        THR   1  -6.001   9.614   4.280
    4    HA   THR   1           HA       THR   1  -5.798   8.030   2.668
    5    HB   THR   1           HB       THR   1  -4.891  10.036   0.622
    6    HG1  THR   1           HG1      THR   1  -6.815  10.873   1.031
    7   1HG2  THR   1          1HG2      THR   1  -4.884   8.212  -0.692
    8   2HG2  THR   1          2HG2      THR   1  -6.575   7.902  -0.306
    9   3HG2  THR   1          3HG2      THR   1  -5.303   7.227   0.709
   10    H    ALA   2           HN       ALA   2  -3.981   6.827   2.835
   11    HA   ALA   2           HA       ALA   2  -1.364   8.267   2.756
   12   1HB   ALA   2          1HB       ALA   2  -2.128   5.955   4.564
   13   2HB   ALA   2          2HB       ALA   2  -1.943   7.632   5.074
   14   3HB   ALA   2          3HB       ALA   2  -0.544   6.726   4.496
   15    H    PHE   3           HN       PHE   3   0.414   6.986   1.945
   16    HA   PHE   3           HA       PHE   3  -0.489   4.739   0.191
   17   1HB   PHE   3          2HB       PHE   3   1.704   6.787  -0.011
   18   2HB   PHE   3          1HB       PHE   3   1.880   5.245  -0.843
   19    HD1  PHE   3           HD1      PHE   3  -1.260   7.195  -0.256
   20    HD2  PHE   3           HD2      PHE   3   1.632   5.826  -3.101
   21    HE1  PHE   3           HE1      PHE   3  -2.691   8.012  -2.101
   22    HE2  PHE   3           HE2      PHE   3   0.203   6.641  -4.952
   23    HZ   PHE   3           HZ       PHE   3  -1.960   7.736  -4.451
   24    H    LEU   4           HN       LEU   4   0.325   2.683   0.654
   25    HA   LEU   4           HA       LEU   4   2.691   2.563   2.479
   26   1HB   LEU   4          2HB       LEU   4   0.806   2.145   3.903
   27   2HB   LEU   4          1HB       LEU   4   0.053   1.094   2.707
   28    HG   LEU   4           HG       LEU   4   1.887  -0.539   2.983
   29   1HD1  LEU   4          1HD1      LEU   4   3.174   1.690   4.227
   30   2HD1  LEU   4          2HD1      LEU   4   3.844   0.096   3.895
   31   3HD1  LEU   4          3HD1      LEU   4   3.031   0.409   5.428
   32   1HD2  LEU   4          1HD2      LEU   4   0.040  -1.006   4.373
   33   2HD2  LEU   4          2HD2      LEU   4   0.346   0.393   5.401
   34   3HD2  LEU   4          3HD2      LEU   4   1.402  -1.016   5.493
   35    H    TRP   5           HN       TRP   5   4.108   1.901   0.794
   36    HA   TRP   5           HA       TRP   5   3.520  -0.826  -0.248
   37   1HB   TRP   5          2HB       TRP   5   4.177  -0.272  -2.472
   38   2HB   TRP   5          1HB       TRP   5   3.031   0.969  -1.979
   39    HD1  TRP   5           HD1      TRP   5   6.537   0.473  -3.163
   40    HE1  TRP   5           HE1      TRP   5   7.758   2.742  -3.271
   41    HE3  TRP   5           HE3      TRP   5   3.188   3.400  -0.646
   42    HZ2  TRP   5           HZ2      TRP   5   7.366   5.441  -2.405
   43    HZ3  TRP   5           HZ3      TRP   5   3.642   5.813  -0.302
   44    HH2  TRP   5           HH2      TRP   5   5.721   6.834  -1.177
   45    H    ALA   6           HN       ALA   6   5.651  -1.636  -1.409
   46    HA   ALA   6           HA       ALA   6   8.050  -0.776   0.132
   47   1HB   ALA   6          1HB       ALA   6   6.772  -3.492   0.090
   48   2HB   ALA   6          2HB       ALA   6   7.517  -2.632   1.438
   49   3HB   ALA   6          3HB       ALA   6   8.529  -3.376   0.199
   50    H    GLN   7           HN       GLN   7   9.746  -0.540  -1.236
   51    HA   GLN   7           HA       GLN   7   9.741  -2.133  -3.762
   52   1HB   GLN   7          2HB       GLN   7  10.536  -0.122  -4.983
   53   2HB   GLN   7          1HB       GLN   7   8.924   0.109  -4.310
   54   1HG   GLN   7          2HG       GLN   7   9.946   1.250  -2.342
   55   2HG   GLN   7          1HG       GLN   7  11.527   1.098  -3.110
   56   1HE2  GLN   7          1HE2      GLN   7  12.125   2.868  -4.363
   57   2HE2  GLN   7          2HE2      GLN   7  11.047   3.976  -5.064
   58    H    ASP   8           HN       ASP   8  11.896  -2.310  -4.754
   59    HA   ASP   8           HA       ASP   8  13.946  -2.697  -2.710
   60   1HB   ASP   8          2HB       ASP   8  15.287  -3.600  -4.590
   61   2HB   ASP   8          1HB       ASP   8  13.682  -4.323  -4.519
   62    H    ARG   9           HN       ARG   9  16.293  -2.065  -4.039
   63    HA   ARG   9           HA       ARG   9  16.613   0.692  -3.437
   64   1HB   ARG   9          2HB       ARG   9  18.795   0.476  -4.665
   65   2HB   ARG   9          1HB       ARG   9  18.537  -0.769  -3.444
   66   1HG   ARG   9          2HG       ARG   9  19.103  -2.184  -5.140
   67   2HG   ARG   9          1HG       ARG   9  17.418  -1.975  -5.611
   68   1HD   ARG   9          2HD       ARG   9  18.049  -1.004  -7.536
   69   2HD   ARG   9          1HD       ARG   9  18.945   0.226  -6.649
   70    HE   ARG   9           HE       ARG   9  20.070  -2.227  -7.831
   71   1HH1  ARG   9          1HH1      ARG   9  20.466   0.483  -5.689
   72   2HH1  ARG   9          2HH1      ARG   9  22.191   0.387  -5.705
   73   1HH2  ARG   9          1HH2      ARG   9  22.314  -2.332  -7.840
   74   2HH2  ARG   9          2HH2      ARG   9  23.233  -1.194  -6.911
   75    H    ASP  10           HN       ASP  10  16.146  -0.917  -6.609
   76    HA   ASP  10           HA       ASP  10  16.313   1.547  -8.109
   77   1HB   ASP  10          2HB       ASP  10  15.514  -1.270  -8.654
   78   2HB   ASP  10          1HB       ASP  10  14.882  -0.039  -9.750
   79    H    GLY  11           HN       GLY  11  13.704  -0.217  -6.555
   80   1HA   GLY  11          2HA       GLY  11  11.792   1.122  -5.713
   81   2HA   GLY  11          1HA       GLY  11  11.912   2.097  -7.173
   82    H    LEU  12           HN       LEU  12  12.006  -1.465  -7.042
   83    HA   LEU  12           HA       LEU  12   9.704  -1.500  -8.914
   84   1HB   LEU  12          2HB       LEU  12  11.627  -2.938  -9.463
   85   2HB   LEU  12          1HB       LEU  12  11.488  -3.740  -7.900
   86    HG   LEU  12           HG       LEU  12   9.051  -4.297  -8.639
   87   1HD1  LEU  12          1HD1      LEU  12  10.076  -4.251 -11.422
   88   2HD1  LEU  12          2HD1      LEU  12   9.627  -2.688 -10.738
   89   3HD1  LEU  12          3HD1      LEU  12   8.441  -3.993 -10.813
   90   1HD2  LEU  12          1HD2      LEU  12  11.584  -5.504  -9.745
   91   2HD2  LEU  12          2HD2      LEU  12  10.010  -6.216 -10.102
   92   3HD2  LEU  12          3HD2      LEU  12  10.567  -6.095  -8.432
   93    H    ILE  13           HN       ILE  13   7.781  -2.818  -8.400
   94    HA   ILE  13           HA       ILE  13   7.528  -3.470  -5.515
   95    HB   ILE  13           HB       ILE  13   5.036  -2.654  -5.928
   96   1HG1  ILE  13          2HG1      ILE  13   6.149  -0.395  -7.421
   97   2HG1  ILE  13          1HG1      ILE  13   6.171  -1.886  -8.360
   98   1HG2  ILE  13          1HG2      ILE  13   6.808  -0.326  -5.571
   99   2HG2  ILE  13          2HG2      ILE  13   7.210  -1.712  -4.556
  100   3HG2  ILE  13          3HG2      ILE  13   5.598  -1.000  -4.479
  101   1HD1  ILE  13          1HD1      ILE  13   4.017  -0.411  -8.410
  102   2HD1  ILE  13          2HD1      ILE  13   3.704  -1.112  -6.822
  103   3HD1  ILE  13          3HD1      ILE  13   3.845  -2.158  -8.235
  104    H    GLY  14           HN       GLY  14   5.584  -3.628  -8.515
  105   1HA   GLY  14          2HA       GLY  14   4.692  -6.329  -7.768
  106   2HA   GLY  14          1HA       GLY  14   4.103  -5.386  -9.135
  107    H    LYS  15           HN       LYS  15   5.202  -8.197  -8.872
  108    HA   LYS  15           HA       LYS  15   7.029  -7.992 -11.213
  109   1HB   LYS  15          2HB       LYS  15   8.252  -8.339  -8.927
  110   2HB   LYS  15          1HB       LYS  15   7.634  -9.986  -9.043
  111   1HG   LYS  15          2HG       LYS  15   8.867  -8.932 -11.518
  112   2HG   LYS  15          1HG       LYS  15   9.978  -9.167 -10.171
  113   1HD   LYS  15          2HD       LYS  15   8.193 -11.424 -10.332
  114   2HD   LYS  15          1HD       LYS  15   8.931 -11.148 -11.910
  115   1HE   LYS  15          2HE       LYS  15  11.059 -10.794 -10.179
  116   2HE   LYS  15          1HE       LYS  15  10.156 -12.106  -9.423
  117   1HZ   LYS  15          1HE       LYS  15  11.241 -13.374 -10.890
  118   2HZ   LYS  15          2HE       LYS  15  11.629 -12.068 -11.904
  119   3HZ   LYS  15          3HE       LYS  15  10.104 -12.809 -12.015
  120    H    ASP  16           HN       ASP  16   5.215  -8.774 -12.496
  121    HA   ASP  16           HA       ASP  16   3.880 -10.422 -13.437
  122   1HB   ASP  16          2HB       ASP  16   6.044 -12.096 -12.145
  123   2HB   ASP  16          1HB       ASP  16   4.795 -12.778 -13.184
  124    H    GLY  17           HN       GLY  17   2.623  -9.463 -11.186
  125   1HA   GLY  17          2HA       GLY  17   0.757 -10.223  -9.962
  126   2HA   GLY  17          1HA       GLY  17   1.273 -11.884 -10.240
  127    H    HIS  18           HN       HIS  18   3.175 -12.626  -8.961
  128    HA   HIS  18           HA       HIS  18   2.858 -11.783  -6.178
  129   1HB   HIS  18          2HB       HIS  18   4.407 -13.666  -5.717
  130   2HB   HIS  18          1HB       HIS  18   3.052 -14.158  -6.734
  131    HD1  HIS  18           HD1      HIS  18   6.746 -13.457  -6.853
  132    HD2  HIS  18           HD2      HIS  18   3.753 -14.837  -9.405
  133    HE1  HIS  18           HE1      HIS  18   7.916 -14.335  -8.919
  134    H    LEU  19           HN       LEU  19   4.634 -11.208  -4.796
  135    HA   LEU  19           HA       LEU  19   6.288  -9.113  -5.744
  136   1HB   LEU  19          2HB       LEU  19   6.340 -10.845  -3.282
  137   2HB   LEU  19          1HB       LEU  19   7.641  -9.691  -3.576
  138    HG   LEU  19           HG       LEU  19   4.760  -8.833  -3.747
  139   1HD1  LEU  19          1HD1      LEU  19   6.442  -8.637  -1.243
  140   2HD1  LEU  19          2HD1      LEU  19   5.325  -9.974  -1.514
  141   3HD1  LEU  19          3HD1      LEU  19   4.716  -8.321  -1.423
  142   1HD2  LEU  19          1HD2      LEU  19   7.443  -7.514  -3.336
  143   2HD2  LEU  19          2HD2      LEU  19   5.942  -6.679  -2.945
  144   3HD2  LEU  19          3HD2      LEU  19   6.256  -7.200  -4.601
  145    HA   PRO  20           HA       PRO  20   9.782 -11.221  -7.514
  146   1HB   PRO  20          2HB       PRO  20  11.663  -9.205  -7.000
  147   2HB   PRO  20          1HB       PRO  20  10.599  -9.303  -8.408
  148   1HG   PRO  20          2HG       PRO  20  10.535  -7.387  -6.302
  149   2HG   PRO  20          1HG       PRO  20   9.437  -7.521  -7.680
  150   1HD   PRO  20          2HD       PRO  20   9.019  -8.335  -4.888
  151   2HD   PRO  20          1HD       PRO  20   7.827  -8.070  -6.176
  152    H    TRP  21           HN       TRP  21  10.079  -9.939  -4.242
  153    HA   TRP  21           HA       TRP  21  12.328 -11.843  -3.754
  154   1HB   TRP  21          2HB       TRP  21  12.866 -10.337  -1.816
  155   2HB   TRP  21          1HB       TRP  21  12.978  -9.532  -3.377
  156    HD1  TRP  21           HD1      TRP  21  10.510  -9.918  -0.438
  157    HE1  TRP  21           HE1      TRP  21   9.012  -7.817  -0.374
  158    HE3  TRP  21           HE3      TRP  21  12.185  -7.518  -4.620
  159    HZ2  TRP  21           HZ2      TRP  21   8.592  -5.426  -1.897
  160    HZ3  TRP  21           HZ3      TRP  21  11.228  -5.332  -5.289
  161    HH2  TRP  21           HH2      TRP  21   9.434  -4.284  -3.934
  162    H    HIS  22           HN       HIS  22  12.105 -11.645  -0.907
  163    HA   HIS  22           HA       HIS  22   9.413 -12.600  -0.197
  164   1HB   HIS  22          2HB       HIS  22  10.883 -14.580  -1.052
  165   2HB   HIS  22          1HB       HIS  22  11.755 -14.383   0.470
  166    HD1  HIS  22           HD1      HIS  22  10.898 -16.231   1.937
  167    HD2  HIS  22           HD2      HIS  22   7.804 -14.274  -0.058
  168    HE1  HIS  22           HE1      HIS  22   8.738 -17.189   2.850
  169    H    LEU  23           HN       LEU  23   9.289 -10.905   1.295
  170    HA   LEU  23           HA       LEU  23  11.262 -11.035   3.534
  171   1HB   LEU  23          2HB       LEU  23  11.571  -9.034   2.011
  172   2HB   LEU  23          1HB       LEU  23   9.965  -8.499   2.505
  173    HG   LEU  23           HG       LEU  23  10.800  -8.690   4.916
  174   1HD1  LEU  23          1HD1      LEU  23  12.824 -10.075   4.096
  175   2HD1  LEU  23          2HD1      LEU  23  13.120  -8.849   5.329
  176   3HD1  LEU  23          3HD1      LEU  23  13.528  -8.523   3.643
  177   1HD2  LEU  23          1HD2      LEU  23  11.000  -6.618   3.022
  178   2HD2  LEU  23          2HD2      LEU  23  12.555  -6.625   3.852
  179   3HD2  LEU  23          3HD2      LEU  23  11.064  -6.448   4.776
  180    HA   PRO  24           HA       PRO  24   7.248 -11.702   5.575
  181   1HB   PRO  24          2HB       PRO  24   8.625 -12.573   7.906
  182   2HB   PRO  24          1HB       PRO  24   7.812 -13.582   6.703
  183   1HG   PRO  24          2HG       PRO  24  10.604 -13.358   7.188
  184   2HG   PRO  24          1HG       PRO  24   9.791 -14.311   5.940
  185   1HD   PRO  24          2HD       PRO  24  11.265 -11.823   5.658
  186   2HD   PRO  24          1HD       PRO  24  10.654 -12.905   4.397
  187    H    ASP  25           HN       ASP  25  10.157 -10.111   6.773
  188    HA   ASP  25           HA       ASP  25   8.955  -8.753   8.995
  189   1HB   ASP  25          2HB       ASP  25  11.498  -9.009   8.130
  190   2HB   ASP  25          1HB       ASP  25  11.143  -7.402   7.495
  191    H    ASP  26           HN       ASP  26   8.982  -8.137   5.545
  192    HA   ASP  26           HA       ASP  26   8.086  -5.370   5.789
  193   1HB   ASP  26          2HB       ASP  26   9.280  -5.973   3.782
  194   2HB   ASP  26          1HB       ASP  26   8.178  -7.308   3.458
  195    H    LEU  27           HN       LEU  27   6.535  -8.503   5.021
  196    HA   LEU  27           HA       LEU  27   3.907  -7.577   4.591
  197   1HB   LEU  27          2HB       LEU  27   4.917 -10.132   5.871
  198   2HB   LEU  27          1HB       LEU  27   3.217  -9.851   5.493
  199    HG   LEU  27           HG       LEU  27   5.253  -9.399   3.343
  200   1HD1  LEU  27          1HD1      LEU  27   4.290 -12.078   4.367
  201   2HD1  LEU  27          2HD1      LEU  27   5.952 -11.558   4.087
  202   3HD1  LEU  27          3HD1      LEU  27   4.879 -11.855   2.720
  203   1HD2  LEU  27          1HD2      LEU  27   2.348  -9.841   3.640
  204   2HD2  LEU  27          2HD2      LEU  27   3.081 -10.710   2.293
  205   3HD2  LEU  27          3HD2      LEU  27   3.227  -8.956   2.394
  206    H    HIS  28           HN       HIS  28   5.545  -8.391   7.650
  207    HA   HIS  28           HA       HIS  28   3.323  -7.926   9.377
  208   1HB   HIS  28          2HB       HIS  28   6.286  -7.515   9.895
  209   2HB   HIS  28          1HB       HIS  28   5.040  -7.585  11.141
  210    HD1  HIS  28           HD1      HIS  28   3.355  -9.932  10.222
  211    HD2  HIS  28           HD2      HIS  28   7.522  -9.987  10.107
  212    HE1  HIS  28           HE1      HIS  28   4.039 -12.370  10.211
  213    H    TYR  29           HN       TYR  29   5.758  -5.749   7.999
  214    HA   TYR  29           HA       TYR  29   4.974  -3.404   9.467
  215   1HB   TYR  29          2HB       TYR  29   7.100  -3.727   8.073
  216   2HB   TYR  29          1HB       TYR  29   6.095  -3.426   6.655
  217    HD1  TYR  29           HD1      TYR  29   7.054  -1.966   9.962
  218    HD2  TYR  29           HD2      TYR  29   5.592  -1.222   5.992
  219    HE1  TYR  29           HE1      TYR  29   7.232   0.476  10.355
  220    HE2  TYR  29           HE2      TYR  29   5.769   1.221   6.385
  221    HH   TYR  29           HH       TYR  29   7.022   2.759   7.841
  222    H    PHE  30           HN       PHE  30   3.817  -4.948   6.529
  223    HA   PHE  30           HA       PHE  30   2.126  -2.792   5.644
  224   1HB   PHE  30          2HB       PHE  30   2.817  -4.639   4.157
  225   2HB   PHE  30          1HB       PHE  30   1.902  -5.778   5.145
  226    HD1  PHE  30           HD1      PHE  30   1.379  -2.471   3.436
  227    HD2  PHE  30           HD2      PHE  30  -0.235  -6.327   4.423
  228    HE1  PHE  30           HE1      PHE  30  -0.676  -1.940   2.153
  229    HE2  PHE  30           HE2      PHE  30  -2.288  -5.796   3.141
  230    HZ   PHE  30           HZ       PHE  30  -2.507  -3.606   2.004
  231    H    ARG  31           HN       ARG  31   1.432  -5.785   7.476
  232    HA   ARG  31           HA       ARG  31  -1.340  -5.199   7.918
  233   1HB   ARG  31          2HB       ARG  31  -0.147  -7.439   8.211
  234   2HB   ARG  31          1HB       ARG  31   0.454  -6.812   9.745
  235   1HG   ARG  31          2HG       ARG  31  -1.994  -6.304  10.319
  236   2HG   ARG  31          1HG       ARG  31  -2.412  -7.322   8.939
  237   1HD   ARG  31          2HD       ARG  31  -2.421  -8.777  10.833
  238   2HD   ARG  31          1HD       ARG  31  -0.915  -9.108   9.979
  239    HE   ARG  31           HE       ARG  31  -0.904  -7.181  12.250
  240   1HH1  ARG  31          1HH2      ARG  31   0.088 -10.188  10.801
  241   2HH1  ARG  31          2HH2      ARG  31   1.334 -10.466  11.966
  242   1HH2  ARG  31          1HH1      ARG  31   0.716  -7.573  13.757
  243   2HH2  ARG  31          2HH1      ARG  31   1.687  -9.001  13.627
  244    H    ALA  32           HN       ALA  32   1.412  -4.984  10.184
  245    HA   ALA  32           HA       ALA  32   0.147  -3.708  12.319
  246   1HB   ALA  32          1HB       ALA  32   2.251  -3.331  13.148
  247   2HB   ALA  32          2HB       ALA  32   2.854  -2.693  11.618
  248   3HB   ALA  32          3HB       ALA  32   2.691  -4.434  11.844
  249    H    GLN  33           HN       GLN  33   1.484  -2.184   9.388
  250    HA   GLN  33           HA       GLN  33   0.968   0.518  10.262
  251   1HB   GLN  33          2HB       GLN  33   1.616  -0.769   7.624
  252   2HB   GLN  33          1HB       GLN  33   1.177   0.936   7.700
  253   1HG   GLN  33          2HG       GLN  33   3.341  -0.280   9.431
  254   2HG   GLN  33          1HG       GLN  33   3.669   0.452   7.860
  255   1HE2  GLN  33          1HE2      GLN  33   1.920   2.676   7.926
  256   2HE2  GLN  33          2HE2      GLN  33   2.389   3.718   9.179
  257    H    THR  34           HN       THR  34  -1.105  -1.923   8.939
  258    HA   THR  34           HA       THR  34  -3.151   0.198   8.395
  259    HB   THR  34           HB       THR  34  -4.219  -1.518   6.882
  260    HG1  THR  34           HG1      THR  34  -1.707  -2.794   7.146
  261   1HG2  THR  34          1HG2      THR  34  -2.003  -1.379   5.294
  262   2HG2  THR  34          2HG2      THR  34  -1.655  -0.109   6.468
  263   3HG2  THR  34          3HG2      THR  34  -3.141  -0.050   5.518
  264    H    VAL  35           HN       VAL  35  -2.573  -1.147  10.978
  265    HA   VAL  35           HA       VAL  35  -4.788  -3.016  11.383
  266    HB   VAL  35           HB       VAL  35  -4.108  -2.963  13.755
  267   1HG1  VAL  35          1HG1      VAL  35  -2.793  -4.120  11.730
  268   2HG1  VAL  35          2HG1      VAL  35  -2.222  -4.231  13.395
  269   3HG1  VAL  35          3HG1      VAL  35  -1.514  -3.048  12.296
  270   1HG2  VAL  35          1HG2      VAL  35  -2.351  -0.706  12.767
  271   2HG2  VAL  35          2HG2      VAL  35  -1.968  -1.607  14.232
  272   3HG2  VAL  35          3HG2      VAL  35  -3.475  -0.699  14.125
  273    H    GLY  36           HN       GLY  36  -6.847  -2.311  11.577
  274   1HA   GLY  36          2HA       GLY  36  -8.652  -1.063  12.430
  275   2HA   GLY  36          1HA       GLY  36  -7.503  -0.121  13.374
  276    H    LYS  37           HN       LYS  37  -6.717  -0.306  10.033
  277    HA   LYS  37           HA       LYS  37  -7.907   2.411   9.613
  278   1HB   LYS  37          2HB       LYS  37  -5.257   1.293   8.661
  279   2HB   LYS  37          1HB       LYS  37  -5.927   2.836   8.135
  280   1HG   LYS  37          2HG       LYS  37  -5.946   3.643  10.454
  281   2HG   LYS  37          1HG       LYS  37  -5.322   2.089  11.011
  282   1HD   LYS  37          2HD       LYS  37  -3.259   2.408   9.775
  283   2HD   LYS  37          1HD       LYS  37  -3.887   3.878   9.029
  284   1HE   LYS  37          2HE       LYS  37  -3.963   5.002  11.181
  285   2HE   LYS  37          1HE       LYS  37  -3.503   3.517  12.014
  286   1HZ   LYS  37          1HE       LYS  37  -1.368   3.597  11.152
  287   2HZ   LYS  37          2HE       LYS  37  -1.693   5.229  11.499
  288   3HZ   LYS  37          3HE       LYS  37  -1.791   4.661   9.901
  289    H    ILE  38           HN       ILE  38  -8.508   2.908   7.375
  290    HA   ILE  38           HA       ILE  38  -9.732   0.660   6.010
  291    HB   ILE  38           HB       ILE  38  -9.269   3.482   4.989
  292   1HG1  ILE  38          2HG1      ILE  38 -11.734   2.362   6.352
  293   2HG1  ILE  38          1HG1      ILE  38 -10.509   3.311   7.191
  294   1HG2  ILE  38          1HG2      ILE  38  -9.880   1.937   3.216
  295   2HG2  ILE  38          2HG2      ILE  38 -11.279   2.942   3.597
  296   3HG2  ILE  38          3HG2      ILE  38 -11.196   1.284   4.192
  297   1HD1  ILE  38          1HD1      ILE  38 -10.849   5.132   5.492
  298   2HD1  ILE  38          2HD1      ILE  38 -12.264   4.823   6.499
  299   3HD1  ILE  38          3HD1      ILE  38 -12.204   4.205   4.848
  300    H    MET  39           HN       MET  39  -8.666  -0.711   4.664
  301    HA   MET  39           HA       MET  39  -6.090   0.191   3.462
  302   1HB   MET  39          2HB       MET  39  -6.201  -1.934   4.850
  303   2HB   MET  39          1HB       MET  39  -7.203  -2.624   3.572
  304   1HG   MET  39          2HG       MET  39  -5.290  -1.882   1.976
  305   2HG   MET  39          1HG       MET  39  -4.317  -1.771   3.444
  306   1HE   MET  39          1HE       MET  39  -7.031  -5.135   2.556
  307   2HE   MET  39          2HE       MET  39  -6.123  -4.887   1.068
  308   3HE   MET  39          3HE       MET  39  -6.976  -3.534   1.806
  309    H    VAL  40           HN       VAL  40  -6.409   1.042   1.438
  310    HA   VAL  40           HA       VAL  40  -8.615  -0.002  -0.230
  311    HB   VAL  40           HB       VAL  40  -6.675   2.199  -0.958
  312   1HG1  VAL  40          1HG1      VAL  40  -7.893   1.879  -2.870
  313   2HG1  VAL  40          2HG1      VAL  40  -9.099   2.835  -2.008
  314   3HG1  VAL  40          3HG1      VAL  40  -9.209   1.075  -2.016
  315   1HG2  VAL  40          1HG2      VAL  40  -8.445   3.737  -0.044
  316   2HG2  VAL  40          2HG2      VAL  40  -7.634   2.785   1.200
  317   3HG2  VAL  40          3HG2      VAL  40  -9.246   2.327   0.649
  318    H    VAL  41           HN       VAL  41  -8.243  -1.665  -1.524
  319    HA   VAL  41           HA       VAL  41  -5.628  -1.856  -2.943
  320    HB   VAL  41           HB       VAL  41  -5.871  -4.370  -2.777
  321   1HG1  VAL  41          1HG1      VAL  41  -4.361  -2.961  -1.327
  322   2HG1  VAL  41          2HG1      VAL  41  -4.850  -4.493  -0.605
  323   3HG1  VAL  41          3HG1      VAL  41  -5.621  -2.991  -0.094
  324   1HG2  VAL  41          1HG2      VAL  41  -7.346  -4.571  -0.394
  325   2HG2  VAL  41          2HG2      VAL  41  -7.831  -5.141  -1.988
  326   3HG2  VAL  41          3HG2      VAL  41  -8.315  -3.539  -1.444
  327    H    GLY  42           HN       GLY  42  -5.893  -2.161  -5.135
  328   1HA   GLY  42          2HA       GLY  42  -8.544  -2.018  -6.249
  329   2HA   GLY  42          1HA       GLY  42  -7.059  -2.233  -7.161
  330    H    ARG  43           HN       ARG  43  -9.479  -3.577  -7.741
  331    HA   ARG  43           HA       ARG  43  -9.869  -6.134  -6.712
  332   1HB   ARG  43          2HB       ARG  43 -11.199  -4.948  -8.524
  333   2HB   ARG  43          1HB       ARG  43  -9.973  -5.499  -9.666
  334   1HG   ARG  43          2HG       ARG  43 -10.784  -7.711  -8.008
  335   2HG   ARG  43          1HG       ARG  43 -12.213  -6.948  -8.701
  336   1HD   ARG  43          2HD       ARG  43  -9.778  -7.846 -10.270
  337   2HD   ARG  43          1HD       ARG  43 -11.315  -8.707 -10.192
  338    HE   ARG  43           HE       ARG  43 -11.709  -5.983 -11.059
  339   1HH1  ARG  43          1HH2      ARG  43 -10.631  -9.126 -12.044
  340   2HH1  ARG  43          2HH2      ARG  43 -11.027  -8.873 -13.710
  341   1HH2  ARG  43          1HH1      ARG  43 -12.225  -5.660 -13.234
  342   2HH2  ARG  43          2HH1      ARG  43 -11.923  -6.923 -14.381
  343    H    ARG  44           HN       ARG  44  -7.125  -5.044  -8.599
  344    HA   ARG  44           HA       ARG  44  -6.356  -7.712  -9.478
  345   1HB   ARG  44          2HB       ARG  44  -5.090  -4.991  -9.480
  346   2HB   ARG  44          1HB       ARG  44  -4.082  -6.407  -9.775
  347   1HG   ARG  44          2HG       ARG  44  -6.438  -6.718 -11.339
  348   2HG   ARG  44          1HG       ARG  44  -5.870  -5.066 -11.584
  349   1HD   ARG  44          2HD       ARG  44  -3.754  -5.786 -12.360
  350   2HD   ARG  44          1HD       ARG  44  -3.976  -7.410 -11.708
  351    HE   ARG  44           HE       ARG  44  -5.918  -6.644 -13.773
  352   1HH1  ARG  44          1HH1      ARG  44  -2.871  -8.134 -13.011
  353   2HH1  ARG  44          2HH1      ARG  44  -2.847  -9.084 -14.456
  354   1HH2  ARG  44          1HH2      ARG  44  -5.870  -7.884 -15.641
  355   2HH2  ARG  44          2HH2      ARG  44  -4.533  -8.943 -15.939
  356    H    THR  45           HN       THR  45  -5.276  -5.474  -6.913
  357    HA   THR  45           HA       THR  45  -3.346  -7.314  -5.805
  358    HB   THR  45           HB       THR  45  -4.747  -5.110  -4.283
  359    HG1  THR  45           HG1      THR  45  -2.666  -4.963  -6.199
  360   1HG2  THR  45          1HG2      THR  45  -3.081  -6.752  -3.210
  361   2HG2  THR  45          2HG2      THR  45  -2.756  -5.029  -3.000
  362   3HG2  THR  45          3HG2      THR  45  -1.853  -5.960  -4.197
  363    H    TYR  46           HN       TYR  46  -6.612  -6.336  -4.673
  364    HA   TYR  46           HA       TYR  46  -6.853  -8.063  -2.481
  365   1HB   TYR  46          2HB       TYR  46  -8.513  -6.299  -3.404
  366   2HB   TYR  46          1HB       TYR  46  -9.138  -7.610  -4.399
  367    HD1  TYR  46           HD1      TYR  46 -10.352  -9.475  -3.421
  368    HD2  TYR  46           HD2      TYR  46  -8.693  -6.388  -0.937
  369    HE1  TYR  46           HE1      TYR  46 -11.697 -10.290  -1.503
  370    HE2  TYR  46           HE2      TYR  46 -10.037  -7.202   0.976
  371    HH   TYR  46           HH       TYR  46 -11.164  -9.184   1.718
  372    H    GLU  47           HN       GLU  47  -7.192  -8.803  -5.921
  373    HA   GLU  47           HA       GLU  47  -8.153 -11.521  -5.428
  374   1HB   GLU  47          2HB       GLU  47  -7.457  -9.870  -7.813
  375   2HB   GLU  47          1HB       GLU  47  -7.382 -11.623  -7.994
  376   1HG   GLU  47          HG2       GLU  47  -9.732 -11.530  -6.780
  377   2HG   GLU  47          HG1       GLU  47  -9.747  -9.880  -7.404
  378    H    SER  48           HN       SER  48  -5.076  -9.966  -5.549
  379    HA   SER  48           HA       SER  48  -3.682 -12.540  -6.064
  380   1HB   SER  48          2HB       SER  48  -2.737  -9.674  -5.908
  381   2HB   SER  48          1HB       SER  48  -1.616 -11.031  -5.960
  382    HG   SER  48           HG       SER  48  -2.394 -11.587  -7.948
  383    H    PHE  49           HN       PHE  49  -4.575 -10.440  -3.458
  384    HA   PHE  49           HA       PHE  49  -2.571 -10.848  -1.548
  385   1HB   PHE  49          2HB       PHE  49  -5.425 -10.209  -1.508
  386   2HB   PHE  49          1HB       PHE  49  -4.924 -11.119  -0.084
  387    HD1  PHE  49           HD1      PHE  49  -4.032  -8.151  -2.163
  388    HD2  PHE  49           HD2      PHE  49  -3.756 -10.061   1.670
  389    HE1  PHE  49           HE1      PHE  49  -3.014  -6.103  -1.211
  390    HE2  PHE  49           HE2      PHE  49  -2.733  -8.018   2.618
  391    HZ   PHE  49           HZ       PHE  49  -2.364  -6.038   1.175
  392    HA   PRO  50           HA       PRO  50  -2.794 -15.137  -0.339
  393   1HB   PRO  50          2HB       PRO  50  -2.033 -14.801   2.325
  394   2HB   PRO  50          1HB       PRO  50  -0.927 -14.882   0.947
  395   1HG   PRO  50          2HG       PRO  50  -1.480 -12.636   2.627
  396   2HG   PRO  50          1HG       PRO  50  -0.388 -12.717   1.235
  397   1HD   PRO  50          2HD       PRO  50  -3.108 -11.614   1.404
  398   2HD   PRO  50          1HD       PRO  50  -1.847 -11.308   0.199
  399    H    LYS  51           HN       LYS  51  -4.004 -13.092   2.351
  400    HA   LYS  51           HA       LYS  51  -6.377 -14.904   2.512
  401   1HB   LYS  51          2HB       LYS  51  -6.355 -14.577   4.971
  402   2HB   LYS  51          1HB       LYS  51  -4.878 -15.357   4.406
  403   1HG   LYS  51          2HG       LYS  51  -4.052 -12.819   4.236
  404   2HG   LYS  51          1HG       LYS  51  -5.273 -12.603   5.490
  405   1HD   LYS  51          2HD       LYS  51  -3.611 -13.239   6.905
  406   2HD   LYS  51          1HD       LYS  51  -4.013 -14.869   6.365
  407   1HE   LYS  51          2HE       LYS  51  -1.834 -14.988   5.739
  408   2HE   LYS  51          1HE       LYS  51  -2.335 -14.006   4.362
  409   1HZ   LYS  51          1HE       LYS  51  -1.443 -12.137   5.246
  410   2HZ   LYS  51          2HE       LYS  51  -0.408 -13.265   5.983
  411   3HZ   LYS  51          3HE       LYS  51  -1.714 -12.612   6.852
  412    H    ARG  52           HN       ARG  52  -7.923 -13.589   1.591
  413    HA   ARG  52           HA       ARG  52  -8.119 -10.794   2.628
  414   1HB   ARG  52          2HB       ARG  52  -9.448 -11.844   0.123
  415   2HB   ARG  52          1HB       ARG  52  -9.156 -10.168   0.581
  416   1HG   ARG  52          2HG       ARG  52  -7.323 -10.336  -0.745
  417   2HG   ARG  52          1HG       ARG  52  -6.617 -11.193   0.626
  418   1HD   ARG  52          2HD       ARG  52  -6.343 -12.510  -1.432
  419   2HD   ARG  52          1HD       ARG  52  -7.425 -13.340  -0.312
  420    HE   ARG  52           HE       ARG  52  -9.039 -11.747  -2.005
  421   1HH1  ARG  52          1HH1      ARG  52  -6.862 -14.443  -2.182
  422   2HH1  ARG  52          2HH1      ARG  52  -7.658 -15.149  -3.546
  423   1HH2  ARG  52          1HH2      ARG  52 -10.068 -12.673  -3.783
  424   2HH2  ARG  52          2HH2      ARG  52  -9.463 -14.154  -4.449
  425    HA   PRO  53           HA       PRO  53  -9.296  -9.275   3.008
  426   1HB   PRO  53          2HB       PRO  53 -10.755  -8.203   5.104
  427   2HB   PRO  53          1HB       PRO  53 -11.204  -8.085   3.396
  428   1HG   PRO  53          2HG       PRO  53 -12.517  -9.555   5.495
  429   2HG   PRO  53          1HG       PRO  53 -13.018  -9.351   3.810
  430   1HD   PRO  53          2HD       PRO  53 -11.709 -11.644   5.077
  431   2HD   PRO  53          1HD       PRO  53 -12.519 -11.545   3.504
  432    H    LEU  54           HN       LEU  54  -8.465  -7.936   5.068
  433    HA   LEU  54           HA       LEU  54  -6.887  -9.853   6.649
  434   1HB   LEU  54          2HB       LEU  54  -6.853  -6.837   6.425
  435   2HB   LEU  54          1HB       LEU  54  -5.813  -7.728   7.537
  436    HG   LEU  54           HG       LEU  54  -5.673  -8.973   4.951
  437   1HD1  LEU  54          1HD1      LEU  54  -4.652  -6.167   4.772
  438   2HD1  LEU  54          2HD1      LEU  54  -6.362  -6.452   4.448
  439   3HD1  LEU  54          3HD1      LEU  54  -5.134  -7.269   3.481
  440   1HD2  LEU  54          1HD2      LEU  54  -4.015  -8.812   6.948
  441   2HD2  LEU  54          2HD2      LEU  54  -3.532  -7.275   6.229
  442   3HD2  LEU  54          3HD2      LEU  54  -3.352  -8.772   5.315
  443    HA   PRO  55           HA       PRO  55 -10.045 -10.015   9.859
  444   1HB   PRO  55          2HB       PRO  55  -7.970 -11.058  11.597
  445   2HB   PRO  55          1HB       PRO  55  -9.383 -11.887  10.931
  446   1HG   PRO  55          2HG       PRO  55  -6.647 -12.119  10.126
  447   2HG   PRO  55          1HG       PRO  55  -8.057 -12.975   9.488
  448   1HD   PRO  55          2HD       PRO  55  -6.543 -11.010   8.156
  449   2HD   PRO  55          1HD       PRO  55  -8.099 -11.677   7.638
  450    H    GLU  56           HN       GLU  56 -10.355  -9.026  11.961
  451    HA   GLU  56           HA       GLU  56 -10.201  -7.171  13.395
  452   1HB   GLU  56          2HB       GLU  56  -7.386  -8.243  13.263
  453   2HB   GLU  56          1HB       GLU  56  -7.796  -6.870  14.290
  454   1HG   GLU  56          HG2       GLU  56  -9.719  -9.043  14.584
  455   2HG   GLU  56          HG1       GLU  56  -8.077  -9.569  14.957
  456    H    ARG  57           HN       ARG  57  -9.736  -6.704  10.398
  457    HA   ARG  57           HA       ARG  57  -8.750  -3.932  10.728
  458   1HB   ARG  57          2HB       ARG  57  -7.565  -5.909   8.756
  459   2HB   ARG  57          1HB       ARG  57  -7.268  -4.171   8.724
  460   1HG   ARG  57          2HG       ARG  57  -6.139  -4.213  10.810
  461   2HG   ARG  57          1HG       ARG  57  -6.748  -5.818  11.200
  462   1HD   ARG  57          2HD       ARG  57  -5.360  -5.991   8.714
  463   2HD   ARG  57          1HD       ARG  57  -4.323  -5.148   9.866
  464    HE   ARG  57           HE       ARG  57  -4.996  -7.949   9.952
  465   1HH1  ARG  57          1HH2      ARG  57  -4.457  -5.143  11.924
  466   2HH1  ARG  57          2HH2      ARG  57  -3.951  -6.061  13.300
  467   1HH2  ARG  57          1HH1      ARG  57  -4.337  -9.133  11.750
  468   2HH2  ARG  57          2HH1      ARG  57  -3.882  -8.308  13.203
  469    H    THR  58           HN       THR  58  -9.601  -2.506   9.176
  470    HA   THR  58           HA       THR  58 -11.864  -3.608   7.600
  471    HB   THR  58           HB       THR  58 -11.144  -0.695   8.029
  472    HG1  THR  58           HG1      THR  58 -11.495  -1.830  10.012
  473   1HG2  THR  58          1HG2      THR  58 -13.031  -0.251   6.873
  474   2HG2  THR  58          2HG2      THR  58 -13.950  -1.459   7.773
  475   3HG2  THR  58          3HG2      THR  58 -13.000  -1.940   6.367
  476    H    ASN  59           HN       ASN  59 -11.620  -3.901   5.438
  477    HA   ASN  59           HA       ASN  59  -9.489  -2.325   4.052
  478   1HB   ASN  59          2HB       ASN  59 -10.266  -5.197   3.468
  479   2HB   ASN  59          1HB       ASN  59  -8.961  -4.284   2.709
  480   1HD2  ASN  59          1HD2      ASN  59 -10.001  -5.715   5.816
  481   2HD2  ASN  59          2HD2      ASN  59  -8.450  -5.754   6.503
  482    H    VAL  60           HN       VAL  60  -9.997  -1.647   1.915
  483    HA   VAL  60           HA       VAL  60 -12.837  -2.101   1.097
  484    HB   VAL  60           HB       VAL  60 -11.203   0.437   0.767
  485   1HG1  VAL  60          1HG1      VAL  60 -13.451   1.371   0.119
  486   2HG1  VAL  60          2HG1      VAL  60 -14.069  -0.282   0.105
  487   3HG1  VAL  60          3HG1      VAL  60 -12.801   0.195  -1.024
  488   1HG2  VAL  60          1HG2      VAL  60 -12.434   1.373   2.546
  489   2HG2  VAL  60          2HG2      VAL  60 -12.050  -0.245   3.131
  490   3HG2  VAL  60          3HG2      VAL  60 -13.655   0.106   2.491
  491    H    VAL  61           HN       VAL  61 -13.100  -2.737  -1.024
  492    HA   VAL  61           HA       VAL  61 -10.616  -2.983  -2.649
  493    HB   VAL  61           HB       VAL  61 -13.306  -4.295  -3.128
  494   1HG1  VAL  61          1HG1      VAL  61 -11.745  -5.928  -4.347
  495   2HG1  VAL  61          2HG1      VAL  61 -10.506  -4.681  -4.201
  496   3HG1  VAL  61          3HG1      VAL  61 -11.983  -4.354  -5.106
  497   1HG2  VAL  61          1HG2      VAL  61 -12.342  -4.903  -0.901
  498   2HG2  VAL  61          2HG2      VAL  61 -10.867  -5.422  -1.715
  499   3HG2  VAL  61          3HG2      VAL  61 -12.384  -6.269  -2.016
  500    H    LEU  62           HN       LEU  62 -10.655  -2.377  -4.890
  501    HA   LEU  62           HA       LEU  62 -12.791  -0.395  -5.580
  502   1HB   LEU  62          2HB       LEU  62 -10.009   0.018  -5.329
  503   2HB   LEU  62          1HB       LEU  62 -10.323  -0.019  -7.063
  504    HG   LEU  62           HG       LEU  62 -12.149   1.646  -6.736
  505   1HD1  LEU  62          1HD1      LEU  62 -11.119   2.268  -4.007
  506   2HD1  LEU  62          2HD1      LEU  62 -12.196   0.880  -4.162
  507   3HD1  LEU  62          3HD1      LEU  62 -12.738   2.480  -4.672
  508   1HD2  LEU  62          1HD2      LEU  62 -10.155   3.278  -5.530
  509   2HD2  LEU  62          2HD2      LEU  62 -10.503   3.101  -7.250
  510   3HD2  LEU  62          3HD2      LEU  62  -9.307   2.059  -6.481
  511    H    THR  63           HN       THR  63 -13.980  -1.034  -7.316
  512    HA   THR  63           HA       THR  63 -12.642  -2.579  -9.479
  513    HB   THR  63           HB       THR  63 -13.612  -4.242  -7.895
  514    HG1  THR  63           HG1      THR  63 -13.679  -4.368 -10.325
  515   1HG2  THR  63          1HG2      THR  63 -16.329  -3.236  -8.695
  516   2HG2  THR  63          2HG2      THR  63 -15.509  -2.558  -7.289
  517   3HG2  THR  63          3HG2      THR  63 -15.893  -4.279  -7.344
  518    H    HIS  64           HN       HIS  64 -13.902  -2.626 -11.470
  519    HA   HIS  64           HA       HIS  64 -15.692  -0.260 -11.704
  520   1HB   HIS  64          2HB       HIS  64 -13.829  -1.691 -13.515
  521   2HB   HIS  64          1HB       HIS  64 -15.314  -1.108 -14.261
  522    HD1  HIS  64           HD1      HIS  64 -15.853   1.543 -13.233
  523    HD2  HIS  64           HD2      HIS  64 -11.912   0.273 -13.710
  524    HE1  HIS  64           HE1      HIS  64 -14.436   3.638 -13.360
  525    H    GLN  65           HN       GLN  65 -16.027  -3.492 -11.119
  526    HA   GLN  65           HA       GLN  65 -18.078  -4.186 -13.047
  527   1HB   GLN  65          2HB       GLN  65 -17.082  -5.383 -10.469
  528   2HB   GLN  65          1HB       GLN  65 -18.547  -6.003 -11.232
  529   1HG   GLN  65          2HG       GLN  65 -16.665  -7.306 -12.035
  530   2HG   GLN  65          1HG       GLN  65 -17.243  -6.293 -13.358
  531   1HE2  GLN  65          1HE2      GLN  65 -14.574  -6.780 -11.088
  532   2HE2  GLN  65          2HE2      GLN  65 -13.521  -5.658 -11.806
  533    H    GLU  66           HN       GLU  66 -20.286  -4.995 -11.916
  534    HA   GLU  66           HA       GLU  66 -21.273  -2.662 -10.323
  535   1HB   GLU  66          2HB       GLU  66 -22.215  -3.838 -12.787
  536   2HB   GLU  66          1HB       GLU  66 -23.465  -3.970 -11.550
  537   1HG   GLU  66          HG2       GLU  66 -23.755  -1.705 -11.407
  538   2HG   GLU  66          HG1       GLU  66 -22.048  -1.365 -11.694
  539    H    ASP  67           HN       ASP  67 -21.277  -6.167 -10.684
  540    HA   ASP  67           HA       ASP  67 -22.934  -6.374  -8.211
  541   1HB   ASP  67          2HB       ASP  67 -23.282  -7.665 -10.571
  542   2HB   ASP  67          1HB       ASP  67 -22.258  -8.828  -9.729
  543    H    TYR  68           HN       TYR  68 -20.152  -5.649  -7.964
  544    HA   TYR  68           HA       TYR  68 -18.461  -7.894  -7.447
  545   1HB   TYR  68          2HB       TYR  68 -17.975  -5.276  -7.450
  546   2HB   TYR  68          1HB       TYR  68 -18.261  -5.456  -5.718
  547    HD1  TYR  68           HD1      TYR  68 -16.210  -6.678  -8.567
  548    HD2  TYR  68           HD2      TYR  68 -16.673  -6.548  -4.300
  549    HE1  TYR  68           HE1      TYR  68 -13.948  -7.650  -8.293
  550    HE2  TYR  68           HE2      TYR  68 -14.407  -7.517  -4.024
  551    HH   TYR  68           HH       TYR  68 -12.716  -8.590  -5.121
  552    H    GLN  69           HN       GLN  69 -18.980  -9.520  -6.048
  553    HA   GLN  69           HA       GLN  69 -20.568  -8.833  -3.623
  554   1HB   GLN  69          2HB       GLN  69 -20.071 -11.432  -5.087
  555   2HB   GLN  69          1HB       GLN  69 -20.824 -11.372  -3.493
  556   1HG   GLN  69          2HG       GLN  69 -21.919  -9.559  -5.596
  557   2HG   GLN  69          1HG       GLN  69 -22.279 -11.280  -5.739
  558   1HE2  GLN  69          1HE2      GLN  69 -23.506  -8.478  -4.427
  559   2HE2  GLN  69          2HE2      GLN  69 -24.399  -9.138  -3.144
  560    H    ALA  70           HN       ALA  70 -19.209  -8.339  -1.963
  561    HA   ALA  70           HA       ALA  70 -17.090 -10.323  -1.302
  562   1HB   ALA  70          1HB       ALA  70 -15.538  -8.487  -0.714
  563   2HB   ALA  70          2HB       ALA  70 -16.714  -7.312  -1.297
  564   3HB   ALA  70          3HB       ALA  70 -15.962  -8.440  -2.425
  565    H    GLN  71           HN       GLN  71 -18.609 -11.040   0.322
  566    HA   GLN  71           HA       GLN  71 -19.662  -9.209   2.308
  567   1HB   GLN  71          2HB       GLN  71 -19.453 -12.218   2.138
  568   2HB   GLN  71          1HB       GLN  71 -20.108 -11.409   3.562
  569   1HG   GLN  71          2HG       GLN  71 -22.048 -10.884   2.514
  570   2HG   GLN  71          1HG       GLN  71 -21.219 -10.402   1.034
  571   1HE2  GLN  71          1HE2      GLN  71 -21.575 -13.527   2.826
  572   2HE2  GLN  71          2HE2      GLN  71 -22.022 -14.423   1.455
  573    H    GLY  72           HN       GLY  72 -18.617  -8.430   4.066
  574   1HA   GLY  72          2HA       GLY  72 -17.206  -8.831   6.042
  575   2HA   GLY  72          1HA       GLY  72 -16.219  -9.908   5.053
  576    H    ALA  73           HN       ALA  73 -16.092  -8.163   2.730
  577    HA   ALA  73           HA       ALA  73 -14.288  -6.073   3.863
  578   1HB   ALA  73          1HB       ALA  73 -12.911  -6.308   1.963
  579   2HB   ALA  73          2HB       ALA  73 -14.180  -7.106   1.033
  580   3HB   ALA  73          3HB       ALA  73 -13.379  -7.964   2.350
  581    H    VAL  74           HN       VAL  74 -14.501  -3.989   3.192
  582    HA   VAL  74           HA       VAL  74 -17.028  -3.029   2.267
  583    HB   VAL  74           HB       VAL  74 -14.380  -1.577   2.051
  584   1HG1  VAL  74          1HG1      VAL  74 -16.957  -0.283   2.819
  585   2HG1  VAL  74          2HG1      VAL  74 -16.742  -0.731   1.128
  586   3HG1  VAL  74          3HG1      VAL  74 -15.604   0.371   1.898
  587   1HG2  VAL  74          1HG2      VAL  74 -15.858  -0.922   4.426
  588   2HG2  VAL  74          2HG2      VAL  74 -14.231  -1.589   4.298
  589   3HG2  VAL  74          3HG2      VAL  74 -15.622  -2.668   4.370
  590    H    VAL  75           HN       VAL  75 -17.616  -2.144   0.181
  591    HA   VAL  75           HA       VAL  75 -15.789  -2.849  -2.071
  592    HB   VAL  75           HB       VAL  75 -18.776  -3.387  -2.038
  593   1HG1  VAL  75          1HG1      VAL  75 -17.224  -2.893  -4.195
  594   2HG1  VAL  75          2HG1      VAL  75 -18.570  -4.032  -4.229
  595   3HG1  VAL  75          3HG1      VAL  75 -16.922  -4.620  -4.009
  596   1HG2  VAL  75          1HG2      VAL  75 -16.447  -5.329  -1.868
  597   2HG2  VAL  75          2HG2      VAL  75 -18.154  -5.764  -1.942
  598   3HG2  VAL  75          3HG2      VAL  75 -17.521  -4.917  -0.531
  599    H    VAL  76           HN       VAL  76 -15.566  -1.129  -3.450
  600    HA   VAL  76           HA       VAL  76 -17.801   0.818  -3.701
  601    HB   VAL  76           HB       VAL  76 -16.159   2.700  -3.492
  602   1HG1  VAL  76          1HG1      VAL  76 -17.005   2.783  -1.409
  603   2HG1  VAL  76          2HG1      VAL  76 -15.685   1.746  -0.873
  604   3HG1  VAL  76          3HG1      VAL  76 -17.213   1.034  -1.379
  605   1HG2  VAL  76          1HG2      VAL  76 -14.260   0.797  -3.833
  606   2HG2  VAL  76          2HG2      VAL  76 -14.245   0.929  -2.078
  607   3HG2  VAL  76          3HG2      VAL  76 -13.935   2.351  -3.069
  608    H    HIS  77           HN       HIS  77 -17.496   2.243  -5.613
  609    HA   HIS  77           HA       HIS  77 -15.511   1.224  -7.589
  610   1HB   HIS  77          2HB       HIS  77 -18.336   1.888  -8.413
  611   2HB   HIS  77          1HB       HIS  77 -17.126   0.955  -9.291
  612    HD1  HIS  77           HD1      HIS  77 -17.104  -1.535  -8.921
  613    HD2  HIS  77           HD2      HIS  77 -19.416   0.454  -6.082
  614    HE1  HIS  77           HE1      HIS  77 -18.274  -3.328  -7.567
  615    H    ASP  78           HN       ASP  78 -15.614   3.643  -5.913
  616    HA   ASP  78           HA       ASP  78 -15.070   5.585  -7.980
  617   1HB   ASP  78          2HB       ASP  78 -17.764   5.468  -6.888
  618   2HB   ASP  78          1HB       ASP  78 -17.010   7.030  -6.567
  619    H    VAL  79           HN       VAL  79 -13.231   6.323  -7.057
  620    HA   VAL  79           HA       VAL  79 -12.366   6.330  -4.455
  621    HB   VAL  79           HB       VAL  79 -11.996   8.602  -6.430
  622   1HG1  VAL  79          1HG1      VAL  79 -11.245   9.385  -4.322
  623   2HG1  VAL  79          2HG1      VAL  79  -9.789   8.808  -5.131
  624   3HG1  VAL  79          3HG1      VAL  79 -10.561   7.819  -3.890
  625   1HG2  VAL  79          1HG2      VAL  79 -10.450   7.317  -7.506
  626   2HG2  VAL  79          2HG2      VAL  79 -11.335   5.971  -6.788
  627   3HG2  VAL  79          3HG2      VAL  79  -9.876   6.582  -6.010
  628    H    ALA  80           HN       ALA  80 -14.736   8.554  -5.826
  629    HA   ALA  80           HA       ALA  80 -14.781  10.513  -3.771
  630   1HB   ALA  80          1HB       ALA  80 -16.467  11.339  -5.020
  631   2HB   ALA  80          2HB       ALA  80 -17.453   9.905  -4.734
  632   3HB   ALA  80          3HB       ALA  80 -16.297   9.930  -6.066
  633    H    ALA  81           HN       ALA  81 -16.495   7.397  -4.027
  634    HA   ALA  81           HA       ALA  81 -17.980   7.683  -1.588
  635   1HB   ALA  81          1HB       ALA  81 -18.607   6.012  -3.259
  636   2HB   ALA  81          2HB       ALA  81 -18.230   5.205  -1.737
  637   3HB   ALA  81          3HB       ALA  81 -17.058   5.193  -3.055
  638    H    VAL  82           HN       VAL  82 -14.865   6.077  -2.324
  639    HA   VAL  82           HA       VAL  82 -14.308   5.043   0.233
  640    HB   VAL  82           HB       VAL  82 -12.205   6.362  -1.497
  641   1HG1  VAL  82          1HG1      VAL  82 -11.999   5.077   0.905
  642   2HG1  VAL  82          2HG1      VAL  82 -10.710   5.127  -0.299
  643   3HG1  VAL  82          3HG1      VAL  82 -11.784   3.729  -0.213
  644   1HG2  VAL  82          1HG2      VAL  82 -13.389   5.056  -3.073
  645   2HG2  VAL  82          2HG2      VAL  82 -13.737   3.792  -1.894
  646   3HG2  VAL  82          3HG2      VAL  82 -12.101   3.982  -2.527
  647    H    PHE  83           HN       PHE  83 -13.767   8.341  -0.984
  648    HA   PHE  83           HA       PHE  83 -12.388   9.332   1.306
  649   1HB   PHE  83          2HB       PHE  83 -13.978  10.576  -0.912
  650   2HB   PHE  83          1HB       PHE  83 -13.506  11.572   0.467
  651    HD1  PHE  83           HD1      PHE  83 -12.514  10.670  -2.716
  652    HD2  PHE  83           HD2      PHE  83 -10.946  10.971   1.268
  653    HE1  PHE  83           HE1      PHE  83 -10.216  10.856  -3.632
  654    HE2  PHE  83           HE2      PHE  83  -8.653  11.159   0.352
  655    HZ   PHE  83           HZ       PHE  83  -8.290  11.095  -2.097
  656    H    ALA  84           HN       ALA  84 -15.847   9.015   0.601
  657    HA   ALA  84           HA       ALA  84 -16.864  10.573   2.738
  658   1HB   ALA  84          1HB       ALA  84 -17.948   8.069   1.425
  659   2HB   ALA  84          2HB       ALA  84 -18.395   9.741   1.085
  660   3HB   ALA  84          3HB       ALA  84 -18.853   9.000   2.618
  661    H    TYR  85           HN       TYR  85 -16.375   7.011   2.730
  662    HA   TYR  85           HA       TYR  85 -16.973   6.472   5.385
  663   1HB   TYR  85          2HB       TYR  85 -16.105   4.932   3.421
  664   2HB   TYR  85          1HB       TYR  85 -14.546   5.167   4.211
  665    HD1  TYR  85           HD1      TYR  85 -18.091   4.199   4.925
  666    HD2  TYR  85           HD2      TYR  85 -13.972   3.887   6.097
  667    HE1  TYR  85           HE1      TYR  85 -18.707   2.521   6.645
  668    HE2  TYR  85           HE2      TYR  85 -14.585   2.210   7.816
  669    HH   TYR  85           HH       TYR  85 -16.263   0.772   8.470
  670    H    ALA  86           HN       ALA  86 -13.679   7.314   4.200
  671    HA   ALA  86           HA       ALA  86 -12.381   7.328   6.701
  672   1HB   ALA  86          1HB       ALA  86 -10.658   8.561   5.659
  673   2HB   ALA  86          2HB       ALA  86 -11.785   9.392   4.586
  674   3HB   ALA  86          3HB       ALA  86 -11.414   7.691   4.326
  675    H    LYS  87           HN       LYS  87 -14.033  10.050   5.077
  676    HA   LYS  87           HA       LYS  87 -13.557  11.958   7.154
  677   1HB   LYS  87          2HB       LYS  87 -15.169  11.782   4.727
  678   2HB   LYS  87          1HB       LYS  87 -16.018  12.644   6.010
  679   1HG   LYS  87          2HG       LYS  87 -14.749  14.460   5.630
  680   2HG   LYS  87          1HG       LYS  87 -13.304  13.532   6.028
  681   1HD   LYS  87          2HD       LYS  87 -13.783  12.612   3.519
  682   2HD   LYS  87          1HD       LYS  87 -14.416  14.252   3.376
  683   1HE   LYS  87          2HE       LYS  87 -12.355  15.223   3.676
  684   2HE   LYS  87          1HE       LYS  87 -11.793  13.943   4.751
  685   1HZ   LYS  87          1HE       LYS  87 -10.779  12.998   3.045
  686   2HZ   LYS  87          2HE       LYS  87 -11.314  14.235   2.012
  687   3HZ   LYS  87          3HE       LYS  87 -12.251  12.834   2.219
  688    H    GLN  88           HN       GLN  88 -15.797   9.322   6.871
  689    HA   GLN  88           HA       GLN  88 -17.555  10.330   8.998
  690   1HB   GLN  88          2HB       GLN  88 -17.713   8.326   6.956
  691   2HB   GLN  88          1HB       GLN  88 -17.999   7.555   8.516
  692   1HG   GLN  88          2HG       GLN  88 -20.138   8.316   7.819
  693   2HG   GLN  88          1HG       GLN  88 -19.599   9.508   9.002
  694   1HE2  GLN  88          1HE2      GLN  88 -19.325   8.949   5.438
  695   2HE2  GLN  88          2HE2      GLN  88 -19.533  10.582   5.024
  696    H    HIS  89           HN       HIS  89 -14.964   7.883   8.673
  697    HA   HIS  89           HA       HIS  89 -15.347   7.037  11.460
  698   1HB   HIS  89          2HB       HIS  89 -13.707   6.172   9.131
  699   2HB   HIS  89          1HB       HIS  89 -13.061   5.825  10.735
  700    HD1  HIS  89           HD1      HIS  89 -13.667   3.481  11.309
  701    HD2  HIS  89           HD2      HIS  89 -16.801   5.442   9.386
  702    HE1  HIS  89           HE1      HIS  89 -15.605   1.853  11.261
  703    HA   PRO  90           HA       PRO  90 -12.338  10.159  12.795
  704   1HB   PRO  90          2HB       PRO  90 -13.104   9.962  15.449
  705   2HB   PRO  90          1HB       PRO  90 -13.852  11.038  14.259
  706   1HG   PRO  90          2HG       PRO  90 -14.983   8.718  15.541
  707   2HG   PRO  90          1HG       PRO  90 -15.763   9.867  14.445
  708   1HD   PRO  90          2HD       PRO  90 -14.744   7.187  13.874
  709   2HD   PRO  90          1HD       PRO  90 -15.794   8.220  12.889
  710    H    ASP  91           HN       ASP  91 -12.223   6.940  12.942
  711    HA   ASP  91           HA       ASP  91  -9.726   6.938  14.542
  712   1HB   ASP  91          2HB       ASP  91 -12.062   5.053  14.966
  713   2HB   ASP  91          1HB       ASP  91 -10.438   4.747  15.584
  714    H    GLN  92           HN       GLN  92 -11.014   6.489  11.666
  715    HA   GLN  92           HA       GLN  92  -9.063   4.403  10.903
  716   1HB   GLN  92          2HB       GLN  92 -11.514   3.490  11.333
  717   2HB   GLN  92          1HB       GLN  92 -11.839   4.223   9.764
  718   1HG   GLN  92          2HG       GLN  92 -10.041   2.913   8.748
  719   2HG   GLN  92          1HG       GLN  92  -9.632   2.231  10.311
  720   1HE2  GLN  92          1HE2      GLN  92 -11.378   0.899  11.393
  721   2HE2  GLN  92          2HE2      GLN  92 -12.473   0.052  10.411
  722    H    GLU  93           HN       GLU  93  -7.884   5.921   9.679
  723    HA   GLU  93           HA       GLU  93  -9.281   7.815   7.951
  724   1HB   GLU  93          2HB       GLU  93  -6.357   7.155   8.385
  725   2HB   GLU  93          1HB       GLU  93  -6.909   8.393   7.258
  726   1HG   GLU  93          HG2       GLU  93  -7.782   9.746   8.964
  727   2HG   GLU  93          HG1       GLU  93  -7.858   8.409  10.112
  728    H    LEU  94           HN       LEU  94  -7.538   7.781   5.732
  729    HA   LEU  94           HA       LEU  94  -8.484   5.311   4.354
  730   1HB   LEU  94          2HB       LEU  94  -8.933   7.861   3.615
  731   2HB   LEU  94          1HB       LEU  94  -7.384   7.614   2.816
  732    HG   LEU  94           HG       LEU  94  -8.437   5.393   1.960
  733   1HD1  LEU  94          1HD1      LEU  94 -10.601   5.007   2.444
  734   2HD1  LEU  94          2HD1      LEU  94 -11.062   6.591   1.822
  735   3HD1  LEU  94          3HD1      LEU  94 -10.573   6.411   3.506
  736   1HD2  LEU  94          1HD2      LEU  94  -8.691   6.489  -0.021
  737   2HD2  LEU  94          2HD2      LEU  94  -8.132   7.899   0.879
  738   3HD2  LEU  94          3HD2      LEU  94  -9.859   7.625   0.651
  739    H    VAL  95           HN       VAL  95  -6.910   3.790   4.101
  740    HA   VAL  95           HA       VAL  95  -4.097   4.758   3.764
  741    HB   VAL  95           HB       VAL  95  -5.019   2.115   4.943
  742   1HG1  VAL  95          1HG1      VAL  95  -2.468   2.352   5.703
  743   2HG1  VAL  95          2HG1      VAL  95  -2.375   3.303   4.221
  744   3HG1  VAL  95          3HG1      VAL  95  -2.904   1.622   4.159
  745   1HG2  VAL  95          1HG2      VAL  95  -3.963   3.167   7.037
  746   2HG2  VAL  95          2HG2      VAL  95  -5.534   3.804   6.542
  747   3HG2  VAL  95          3HG2      VAL  95  -4.060   4.705   6.176
  748    H    ILE  96           HN       ILE  96  -3.219   4.278   1.826
  749    HA   ILE  96           HA       ILE  96  -4.723   2.546  -0.018
  750    HB   ILE  96           HB       ILE  96  -2.157   4.070  -0.529
  751   1HG1  ILE  96          2HG1      ILE  96  -3.925   5.602   0.251
  752   2HG1  ILE  96          1HG1      ILE  96  -3.633   5.827  -1.473
  753   1HG2  ILE  96          1HG2      ILE  96  -3.167   3.978  -2.898
  754   2HG2  ILE  96          2HG2      ILE  96  -4.243   2.737  -2.256
  755   3HG2  ILE  96          3HG2      ILE  96  -2.501   2.480  -2.251
  756   1HD1  ILE  96          1HD1      ILE  96  -6.039   5.758  -1.052
  757   2HD1  ILE  96          2HD1      ILE  96  -5.874   4.205  -0.231
  758   3HD1  ILE  96          3HD1      ILE  96  -5.558   4.325  -1.962
  759    H    ALA  97           HN       ALA  97  -3.867   0.698  -0.998
  760    HA   ALA  97           HA       ALA  97  -1.336  -0.366   0.158
  761   1HB   ALA  97          1HB       ALA  97  -4.055  -1.614   0.080
  762   2HB   ALA  97          2HB       ALA  97  -2.827  -1.687   1.344
  763   3HB   ALA  97          3HB       ALA  97  -2.646  -2.658  -0.120
  764    H    GLY  98           HN       GLY  98  -2.955   0.589  -2.558
  765   1HA   GLY  98          2HA       GLY  98  -1.962   0.486  -4.739
  766   2HA   GLY  98          1HA       GLY  98  -1.120  -0.986  -4.270
  767    H    GLY  99           HN       GLY  99  -3.526  -2.497  -6.440
  768   1HA   GLY  99          2HA       GLY  99  -0.754  -2.099  -5.804
  769   2HA   GLY  99          1HA       GLY  99  -1.392  -2.624  -7.356
  770    H    ALA 100           HN       ALA 100  -0.197  -1.313  -8.693
  771    HA   ALA 100           HA       ALA 100   0.437   1.432  -8.225
  772   1HB   ALA 100          1HB       ALA 100   0.086   0.466 -11.028
  773   2HB   ALA 100          2HB       ALA 100   1.289  -0.347 -10.027
  774   3HB   ALA 100          3HB       ALA 100   1.410   1.389 -10.316
  775    H    GLN 101           HN       GLN 101  -2.278  -0.082  -9.939
  776    HA   GLN 101           HA       GLN 101  -3.397   2.243 -11.076
  777   1HB   GLN 101          2HB       GLN 101  -4.132  -0.311 -11.162
  778   2HB   GLN 101          1HB       GLN 101  -5.232   0.209  -9.886
  779   1HG   GLN 101          2HG       GLN 101  -6.566   0.772 -11.660
  780   2HG   GLN 101          1HG       GLN 101  -5.586   2.238 -11.639
  781   1HE2  GLN 101          1HE2      GLN 101  -6.034  -0.875 -13.296
  782   2HE2  GLN 101          2HE2      GLN 101  -5.097  -0.480 -14.655
  783    H    ILE 102           HN       ILE 102  -3.807   0.940  -7.740
  784    HA   ILE 102           HA       ILE 102  -5.715   3.018  -7.062
  785    HB   ILE 102           HB       ILE 102  -4.086   1.294  -5.183
  786   1HG1  ILE 102          2HG1      ILE 102  -5.250  -0.102  -6.862
  787   2HG1  ILE 102          1HG1      ILE 102  -5.979  -0.280  -5.269
  788   1HG2  ILE 102          1HG2      ILE 102  -5.193   3.026  -3.979
  789   2HG2  ILE 102          2HG2      ILE 102  -6.217   1.602  -3.801
  790   3HG2  ILE 102          3HG2      ILE 102  -6.657   2.867  -4.948
  791   1HD1  ILE 102          1HD1      ILE 102  -7.322   0.376  -7.624
  792   2HD1  ILE 102          2HD1      ILE 102  -7.194   1.907  -6.763
  793   3HD1  ILE 102          3HD1      ILE 102  -7.960   0.524  -5.987
  794    H    PHE 103           HN       PHE 103  -2.193   2.768  -6.939
  795    HA   PHE 103           HA       PHE 103  -1.867   4.911  -5.023
  796   1HB   PHE 103          2HB       PHE 103  -0.008   3.699  -7.089
  797   2HB   PHE 103          1HB       PHE 103   0.487   4.984  -5.995
  798    HD1  PHE 103           HD1      PHE 103   1.241   1.840  -6.347
  799    HD2  PHE 103           HD2      PHE 103  -0.983   4.176  -3.506
  800    HE1  PHE 103           HE1      PHE 103   1.715   0.156  -4.589
  801    HE2  PHE 103           HE2      PHE 103  -0.510   2.490  -1.752
  802    HZ   PHE 103           HZ       PHE 103   0.839   0.481  -2.292
  803    H    THR 104           HN       THR 104  -2.486   4.747  -8.447
  804    HA   THR 104           HA       THR 104  -1.596   7.482  -8.975
  805    HB   THR 104           HB       THR 104  -3.400   5.864 -10.766
  806    HG1  THR 104           HG1      THR 104  -1.339   5.069 -11.606
  807   1HG2  THR 104          1HG2      THR 104  -2.103   7.048 -12.511
  808   2HG2  THR 104          2HG2      THR 104  -1.165   7.853 -11.253
  809   3HG2  THR 104          3HG2      THR 104  -2.892   8.178 -11.410
  810    H    ALA 105           HN       ALA 105  -4.813   5.869  -8.822
  811    HA   ALA 105           HA       ALA 105  -6.330   8.225  -9.278
  812   1HB   ALA 105          1HB       ALA 105  -7.139   5.779  -9.167
  813   2HB   ALA 105          2HB       ALA 105  -8.208   7.007  -8.489
  814   3HB   ALA 105          3HB       ALA 105  -7.218   6.014  -7.420
  815    H    PHE 106           HN       PHE 106  -4.784   7.012  -6.361
  816    HA   PHE 106           HA       PHE 106  -6.038   9.192  -4.771
  817   1HB   PHE 106          2HB       PHE 106  -4.431   6.748  -3.997
  818   2HB   PHE 106          1HB       PHE 106  -4.928   7.983  -2.841
  819    HD1  PHE 106           HD1      PHE 106  -7.212   8.175  -2.115
  820    HD2  PHE 106           HD2      PHE 106  -6.142   5.403  -5.208
  821    HE1  PHE 106           HE1      PHE 106  -9.437   7.104  -1.927
  822    HE2  PHE 106           HE2      PHE 106  -8.366   4.332  -5.022
  823    HZ   PHE 106           HZ       PHE 106 -10.014   5.183  -3.380
  824    H    LYS 107           HN       LYS 107  -3.236   8.792  -6.593
  825    HA   LYS 107           HA       LYS 107  -1.221   9.784  -4.871
  826   1HB   LYS 107          2HB       LYS 107   0.044  10.381  -6.827
  827   2HB   LYS 107          1HB       LYS 107  -0.821   8.894  -7.185
  828   1HG   LYS 107          2HG       LYS 107  -2.127   9.883  -8.773
  829   2HG   LYS 107          1HG       LYS 107  -2.247  11.398  -7.891
  830   1HD   LYS 107          2HD       LYS 107   0.387  10.589  -9.069
  831   2HD   LYS 107          1HD       LYS 107  -0.848  11.295 -10.111
  832   1HE   LYS 107          2HE       LYS 107   0.347  13.179  -9.377
  833   2HE   LYS 107          1HE       LYS 107  -1.021  13.128  -8.265
  834   1HZ   LYS 107          1HE       LYS 107   1.439  11.678  -7.581
  835   2HZ   LYS 107          2HE       LYS 107   0.271  12.364  -6.556
  836   3HZ   LYS 107          3HE       LYS 107   1.388  13.359  -7.362
  837    H    ASP 108           HN       ASP 108  -3.704  11.624  -6.683
  838    HA   ASP 108           HA       ASP 108  -2.566  14.202  -6.121
  839   1HB   ASP 108          2HB       ASP 108  -4.469  13.447  -7.792
  840   2HB   ASP 108          1HB       ASP 108  -5.522  13.810  -6.424
  841    H    ASP 109           HN       ASP 109  -4.918  12.178  -4.404
  842    HA   ASP 109           HA       ASP 109  -5.040  14.216  -2.229
  843   1HB   ASP 109          2HB       ASP 109  -6.817  11.946  -3.084
  844   2HB   ASP 109          1HB       ASP 109  -6.890  12.534  -1.423
  845    H    VAL 110           HN       VAL 110  -2.932  13.672  -1.313
  846    HA   VAL 110           HA       VAL 110  -2.916  11.008   0.042
  847    HB   VAL 110           HB       VAL 110  -0.499  12.571  -0.916
  848   1HG1  VAL 110          1HG1      VAL 110  -0.561  10.750   1.066
  849   2HG1  VAL 110          2HG1      VAL 110   0.795  10.883  -0.048
  850   3HG1  VAL 110          3HG1      VAL 110  -0.444   9.656  -0.309
  851   1HG2  VAL 110          1HG2      VAL 110  -2.308  11.199  -2.511
  852   2HG2  VAL 110          2HG2      VAL 110  -1.079   9.987  -2.178
  853   3HG2  VAL 110          3HG2      VAL 110  -0.623  11.519  -2.921
  854    H    ASP 111           HN       ASP 111  -2.056  11.009   2.177
  855    HA   ASP 111           HA       ASP 111  -1.635  13.703   3.401
  856   1HB   ASP 111          2HB       ASP 111  -3.404  11.442   4.329
  857   2HB   ASP 111          1HB       ASP 111  -2.778  12.635   5.468
  858    H    THR 112           HN       THR 112  -0.953  10.243   3.445
  859    HA   THR 112           HA       THR 112   1.545  10.831   4.950
  860    HB   THR 112           HB       THR 112  -0.148   8.414   5.596
  861    HG1  THR 112           HG1      THR 112  -1.180   9.550   7.076
  862   1HG2  THR 112          1HG2      THR 112   2.382   8.660   6.134
  863   2HG2  THR 112          2HG2      THR 112   1.298   8.140   7.424
  864   3HG2  THR 112          3HG2      THR 112   1.849   9.814   7.357
  865    H    LEU 113           HN       LEU 113   3.283   9.626   4.220
  866    HA   LEU 113           HA       LEU 113   2.681   7.582   2.112
  867   1HB   LEU 113          2HB       LEU 113   5.011   9.513   2.260
  868   2HB   LEU 113          1HB       LEU 113   4.847   8.230   1.065
  869    HG   LEU 113           HG       LEU 113   2.672  10.279   1.458
  870   1HD1  LEU 113          1HD1      LEU 113   3.667  11.669  -0.225
  871   2HD1  LEU 113          2HD1      LEU 113   4.926  10.479  -0.552
  872   3HD1  LEU 113          3HD1      LEU 113   4.923  11.362   0.976
  873   1HD2  LEU 113          1HD2      LEU 113   3.245   8.026  -0.323
  874   2HD2  LEU 113          2HD2      LEU 113   2.877   9.505  -1.211
  875   3HD2  LEU 113          3HD2      LEU 113   1.722   8.869  -0.040
  876    H    LEU 114           HN       LEU 114   3.470   5.582   2.512
  877    HA   LEU 114           HA       LEU 114   5.678   5.317   4.509
  878   1HB   LEU 114          2HB       LEU 114   3.335   3.440   4.105
  879   2HB   LEU 114          1HB       LEU 114   4.610   3.268   5.311
  880    HG   LEU 114           HG       LEU 114   3.178   5.867   5.304
  881   1HD1  LEU 114          1HD1      LEU 114   1.330   4.795   6.699
  882   2HD1  LEU 114          2HD1      LEU 114   1.868   3.245   6.050
  883   3HD1  LEU 114          3HD1      LEU 114   1.253   4.489   4.963
  884   1HD2  LEU 114          1HD2      LEU 114   4.011   3.884   7.447
  885   2HD2  LEU 114          2HD2      LEU 114   3.345   5.489   7.755
  886   3HD2  LEU 114          3HD2      LEU 114   4.909   5.321   6.959
  887    H    VAL 115           HN       VAL 115   7.370   4.827   3.231
  888    HA   VAL 115           HA       VAL 115   6.984   2.672   1.181
  889    HB   VAL 115           HB       VAL 115   7.472   4.904   0.204
  890   1HG1  VAL 115          1HG1      VAL 115   9.110   5.300   2.308
  891   2HG1  VAL 115          2HG1      VAL 115   9.289   6.171   0.786
  892   3HG1  VAL 115          3HG1      VAL 115  10.296   4.762   1.119
  893   1HG2  VAL 115          1HG2      VAL 115   9.125   4.106  -1.342
  894   2HG2  VAL 115          2HG2      VAL 115   8.206   2.695  -0.817
  895   3HG2  VAL 115          3HG2      VAL 115   9.807   3.008  -0.141
  896    H    THR 116           HN       THR 116   8.359   0.953   1.194
  897    HA   THR 116           HA       THR 116  10.472   0.920   3.311
  898    HB   THR 116           HB       THR 116   9.466  -1.588   2.015
  899    HG1  THR 116           HG1      THR 116   7.727  -1.637   3.417
  900   1HG2  THR 116          1HG2      THR 116  11.216  -1.914   3.571
  901   2HG2  THR 116          2HG2      THR 116   9.752  -2.311   4.471
  902   3HG2  THR 116          3HG2      THR 116  10.535  -0.748   4.706
  903    H    ARG 117           HN       ARG 117  12.530   0.984   2.509
  904    HA   ARG 117           HA       ARG 117  12.917   0.208  -0.347
  905   1HB   ARG 117          2HB       ARG 117  14.598   1.954   1.475
  906   2HB   ARG 117          1HB       ARG 117  15.011   1.554  -0.193
  907   1HG   ARG 117          2HG       ARG 117  12.498   2.422  -0.589
  908   2HG   ARG 117          1HG       ARG 117  12.887   3.363   0.851
  909   1HD   ARG 117          2HD       ARG 117  15.132   3.845  -0.472
  910   2HD   ARG 117          1HD       ARG 117  14.130   3.465  -1.870
  911    HE   ARG 117           HE       ARG 117  13.561   5.672   0.065
  912   1HH1  ARG 117          1HH2      ARG 117  13.183   4.135  -3.038
  913   2HH1  ARG 117          2HH2      ARG 117  12.325   5.473  -3.717
  914   1HH2  ARG 117          1HH1      ARG 117  12.438   7.389  -0.840
  915   2HH2  ARG 117          2HH1      ARG 117  11.904   7.299  -2.486
  916    H    LEU 118           HN       LEU 118  13.747  -1.780  -0.615
  917    HA   LEU 118           HA       LEU 118  15.174  -3.130   1.566
  918   1HB   LEU 118          2HB       LEU 118  14.296  -3.939  -1.209
  919   2HB   LEU 118          1HB       LEU 118  15.359  -4.967  -0.250
  920    HG   LEU 118           HG       LEU 118  13.613  -4.763   1.621
  921   1HD1  LEU 118          1HD1      LEU 118  11.338  -4.195   0.905
  922   2HD1  LEU 118          2HD1      LEU 118  11.918  -3.851  -0.724
  923   3HD1  LEU 118          3HD1      LEU 118  12.412  -2.826   0.624
  924   1HD2  LEU 118          1HD2      LEU 118  13.429  -6.290  -0.923
  925   2HD2  LEU 118          2HD2      LEU 118  11.988  -6.302   0.090
  926   3HD2  LEU 118          3HD2      LEU 118  13.524  -6.878   0.737
  927    H    ALA 119           HN       ALA 119  17.354  -4.056   1.231
  928    HA   ALA 119           HA       ALA 119  19.113  -2.114  -0.093
  929   1HB   ALA 119          1HB       ALA 119  19.414  -3.572   2.167
  930   2HB   ALA 119          2HB       ALA 119  20.777  -2.954   1.235
  931   3HB   ALA 119          3HB       ALA 119  20.248  -4.622   1.021
  932    H    GLY 120           HN       GLY 120  17.922  -5.372  -0.682
  933   1HA   GLY 120          2HA       GLY 120  19.882  -6.019  -2.716
  934   2HA   GLY 120          1HA       GLY 120  18.363  -6.868  -2.444
  935    H    SER 121           HN       SER 121  19.149  -6.419  -5.045
  936    HA   SER 121           HA       SER 121  17.269  -4.262  -5.922
  937   1HB   SER 121          2HB       SER 121  18.729  -4.029  -7.941
  938   2HB   SER 121          1HB       SER 121  19.549  -3.593  -6.446
  939    HG   SER 121           HG       SER 121  19.665  -6.140  -7.703
  940    H    PHE 122           HN       PHE 122  15.505  -5.226  -6.782
  941    HA   PHE 122           HA       PHE 122  15.872  -7.804  -8.249
  942   1HB   PHE 122          2HB       PHE 122  13.285  -6.680  -7.139
  943   2HB   PHE 122          1HB       PHE 122  13.580  -8.320  -7.721
  944    HD1  PHE 122           HD1      PHE 122  14.715  -9.960  -6.351
  945    HD2  PHE 122           HD2      PHE 122  14.309  -5.901  -5.020
  946    HE1  PHE 122           HE1      PHE 122  15.443 -10.632  -4.075
  947    HE2  PHE 122           HE2      PHE 122  15.032  -6.568  -2.745
  948    HZ   PHE 122           HZ       PHE 122  15.597  -8.935  -2.267
  949    H    GLU 123           HN       GLU 123  14.432  -8.079 -10.170
  950    HA   GLU 123           HA       GLU 123  14.052  -5.461 -11.572
  951   1HB   GLU 123          2HB       GLU 123  15.622  -7.624 -12.337
  952   2HB   GLU 123          1HB       GLU 123  14.155  -7.826 -13.295
  953   1HG   GLU 123          HG2       GLU 123  14.571  -5.975 -14.548
  954   2HG   GLU 123          HG1       GLU 123  15.137  -5.048 -13.159
  955    H    GLY 124           HN       GLY 124  12.275  -5.503 -13.239
  956   1HA   GLY 124          2HA       GLY 124  10.241  -7.475 -13.334
  957   2HA   GLY 124          1HA       GLY 124   9.792  -6.317 -12.080
  958    H    ASP 125           HN       ASP 125   7.980  -5.549 -13.371
  959    HA   ASP 125           HA       ASP 125   8.828  -3.644 -15.485
  960   1HB   ASP 125          2HB       ASP 125   6.997  -5.967 -15.779
  961   2HB   ASP 125          1HB       ASP 125   6.452  -4.453 -16.501
  962    H    THR 126           HN       THR 126   6.989  -4.391 -12.730
  963    HA   THR 126           HA       THR 126   5.187  -2.047 -13.120
  964    HB   THR 126           HB       THR 126   5.017  -4.035 -10.854
  965    HG1  THR 126           HG1      THR 126   4.071  -4.269 -13.508
  966   1HG2  THR 126          1HG2      THR 126   2.600  -3.412 -11.021
  967   2HG2  THR 126          2HG2      THR 126   3.023  -2.260 -12.288
  968   3HG2  THR 126          3HG2      THR 126   3.645  -2.040 -10.652
  969    H    LYS 127           HN       LYS 127   5.975  -0.197 -12.210
  970    HA   LYS 127           HA       LYS 127   7.573  -0.490  -9.699
  971   1HB   LYS 127          2HB       LYS 127   8.009   1.251 -12.114
  972   2HB   LYS 127          1HB       LYS 127   8.623   1.750 -10.537
  973   1HG   LYS 127          2HG       LYS 127   9.912  -0.288 -10.323
  974   2HG   LYS 127          1HG       LYS 127   9.189  -0.952 -11.788
  975   1HD   LYS 127          2HD       LYS 127  10.264   1.588 -12.476
  976   2HD   LYS 127          1HD       LYS 127  11.497   0.746 -11.537
  977   1HE   LYS 127          2HE       LYS 127  11.865   0.072 -13.791
  978   2HE   LYS 127          1HE       LYS 127  11.034  -1.285 -13.032
  979   1HZ   LYS 127          1HE       LYS 127   9.028   0.345 -13.940
  980   2HZ   LYS 127          2HE       LYS 127   9.552  -1.104 -14.655
  981   3HZ   LYS 127          3HE       LYS 127  10.182   0.383 -15.183
  982    H    MET 128           HN       MET 128   7.430   1.369  -8.242
  983    HA   MET 128           HA       MET 128   4.738   2.198  -7.795
  984   1HB   MET 128          2HB       MET 128   6.979   2.155  -6.278
  985   2HB   MET 128          1HB       MET 128   6.909   3.875  -6.667
  986   1HG   MET 128          2HG       MET 128   4.353   2.584  -5.863
  987   2HG   MET 128          1HG       MET 128   5.558   2.810  -4.600
  988   1HE   MET 128          1HE       MET 128   3.714   4.790  -3.320
  989   2HE   MET 128          2HE       MET 128   2.941   3.719  -4.490
  990   3HE   MET 128          3HE       MET 128   2.639   5.454  -4.560
  991    H    ILE 129           HN       ILE 129   3.849   4.365  -7.914
  992    HA   ILE 129           HA       ILE 129   4.495   5.718 -10.388
  993    HB   ILE 129           HB       ILE 129   2.722   7.316  -9.625
  994   1HG1  ILE 129          2HG1      ILE 129   2.256   5.544  -7.253
  995   2HG1  ILE 129          1HG1      ILE 129   3.475   6.813  -7.129
  996   1HG2  ILE 129          1HG2      ILE 129   2.447   4.725 -10.464
  997   2HG2  ILE 129          2HG2      ILE 129   1.101   5.842 -10.243
  998   3HG2  ILE 129          3HG2      ILE 129   1.519   4.701  -8.965
  999   1HD1  ILE 129          1HD1      ILE 129   0.708   7.120  -6.794
 1000   2HD1  ILE 129          2HD1      ILE 129   1.049   7.816  -8.378
 1001   3HD1  ILE 129          3HD1      ILE 129   1.896   8.413  -6.951
 1002    HA   PRO 130           HA       PRO 130   7.234   8.912  -8.998
 1003   1HB   PRO 130          2HB       PRO 130   6.074  11.103 -10.345
 1004   2HB   PRO 130          1HB       PRO 130   7.312  10.009 -10.974
 1005   1HG   PRO 130          2HG       PRO 130   4.606  10.252 -11.821
 1006   2HG   PRO 130          1HG       PRO 130   5.830   9.114 -12.403
 1007   1HD   PRO 130          2HD       PRO 130   3.585   8.642 -10.592
 1008   2HD   PRO 130          1HD       PRO 130   4.593   7.469 -11.455
 1009    H    LEU 131           HN       LEU 131   6.875   9.285  -6.798
 1010    HA   LEU 131           HA       LEU 131   4.576  10.945  -5.970
 1011   1HB   LEU 131          2HB       LEU 131   6.665   9.318  -4.550
 1012   2HB   LEU 131          1HB       LEU 131   5.781  10.560  -3.661
 1013    HG   LEU 131           HG       LEU 131   4.303   8.562  -5.359
 1014   1HD1  LEU 131          1HD1      LEU 131   4.000   7.321  -3.111
 1015   2HD1  LEU 131          2HD1      LEU 131   5.446   8.187  -2.590
 1016   3HD1  LEU 131          3HD1      LEU 131   5.525   7.089  -3.967
 1017   1HD2  LEU 131          1HD2      LEU 131   2.592   9.041  -3.526
 1018   2HD2  LEU 131          2HD2      LEU 131   2.977  10.399  -4.584
 1019   3HD2  LEU 131          3HD2      LEU 131   3.680  10.312  -2.968
 1020    H    ASN 132           HN       ASN 132   4.909  12.922  -4.713
 1021    HA   ASN 132           HA       ASN 132   7.284  14.415  -5.671
 1022   1HB   ASN 132          2HB       ASN 132   4.703  15.157  -5.652
 1023   2HB   ASN 132          1HB       ASN 132   5.165  15.748  -4.055
 1024   1HD2  ASN 132          1HD2      ASN 132   6.965  15.629  -7.187
 1025   2HD2  ASN 132          2HD2      ASN 132   7.344  17.283  -7.195
 1026    H    TRP 133           HN       TRP 133   8.535  13.013  -4.044
 1027    HA   TRP 133           HA       TRP 133   8.307  13.189  -1.254
 1028   1HB   TRP 133          2HB       TRP 133  10.882  13.216  -2.862
 1029   2HB   TRP 133          1HB       TRP 133  10.728  12.752  -1.167
 1030    HD1  TRP 133           HD1      TRP 133  10.404  11.420  -4.634
 1031    HE1  TRP 133           HE1      TRP 133   9.559   8.985  -4.571
 1032    HE3  TRP 133           HE3      TRP 133   9.067  11.079   0.279
 1033    HZ2  TRP 133           HZ2      TRP 133   8.463   7.137  -2.682
 1034    HZ3  TRP 133           HZ3      TRP 133   8.127   8.974   1.184
 1035    HH2  TRP 133           HH2      TRP 133   7.824   7.004  -0.289
 1036    H    ASP 134           HN       ASP 134   9.425  15.621  -3.511
 1037    HA   ASP 134           HA       ASP 134  10.739  17.331  -1.616
 1038   1HB   ASP 134          2HB       ASP 134  10.102  17.384  -4.402
 1039   2HB   ASP 134          1HB       ASP 134   9.557  18.902  -3.690
 1040    H    ASP 135           HN       ASP 135   7.351  16.827  -2.386
 1041    HA   ASP 135           HA       ASP 135   6.558  19.293  -0.957
 1042   1HB   ASP 135          2HB       ASP 135   5.448  18.120  -3.092
 1043   2HB   ASP 135          1HB       ASP 135   4.550  17.270  -1.836
 1044    H    PHE 136           HN       PHE 136   7.165  16.024  -0.229
 1045    HA   PHE 136           HA       PHE 136   5.505  16.221   2.258
 1046   1HB   PHE 136          2HB       PHE 136   6.561  13.778   0.797
 1047   2HB   PHE 136          1HB       PHE 136   5.735  13.724   2.355
 1048    HD1  PHE 136           HD1      PHE 136   5.359  14.354  -1.250
 1049    HD2  PHE 136           HD2      PHE 136   3.342  14.209   2.534
 1050    HE1  PHE 136           HE1      PHE 136   3.173  14.369  -2.417
 1051    HE2  PHE 136           HE2      PHE 136   1.154  14.223   1.366
 1052    HZ   PHE 136           HZ       PHE 136   1.070  14.303  -1.108
 1053    H    THR 137           HN       THR 137   6.580  15.129   4.195
 1054    HA   THR 137           HA       THR 137   9.553  15.276   4.045
 1055    HB   THR 137           HB       THR 137   8.039  16.412   6.394
 1056    HG1  THR 137           HG1      THR 137   8.865  17.692   4.006
 1057   1HG2  THR 137          1HG2      THR 137  10.608  15.765   6.228
 1058   2HG2  THR 137          2HG2      THR 137  10.098  17.236   7.055
 1059   3HG2  THR 137          3HG2      THR 137  10.711  17.320   5.404
 1060    H    LYS 138           HN       LYS 138  10.515  13.577   5.088
 1061    HA   LYS 138           HA       LYS 138   8.886  11.466   6.192
 1062   1HB   LYS 138          2HB       LYS 138  11.083  11.128   5.032
 1063   2HB   LYS 138          1HB       LYS 138  11.881  11.861   6.421
 1064   1HG   LYS 138          2HG       LYS 138   9.979   9.666   7.029
 1065   2HG   LYS 138          1HG       LYS 138  11.461   9.195   6.197
 1066   1HD   LYS 138          2HD       LYS 138  11.388  10.879   8.717
 1067   2HD   LYS 138          1HD       LYS 138  11.664   9.140   8.694
 1068   1HE   LYS 138          2HE       LYS 138  13.771   9.345   7.772
 1069   2HE   LYS 138          1HE       LYS 138  13.365  10.827   6.911
 1070   1HZ   LYS 138          1HE       LYS 138  13.220  11.883   9.189
 1071   2HZ   LYS 138          2HE       LYS 138  14.776  11.482   8.637
 1072   3HZ   LYS 138          3HE       LYS 138  13.996  10.496   9.781
 1073    H    VAL 139           HN       VAL 139   8.011  11.511   8.201
 1074    HA   VAL 139           HA       VAL 139   9.228  13.259  10.263
 1075    HB   VAL 139           HB       VAL 139   7.125  12.863  11.506
 1076   1HG1  VAL 139          1HG1      VAL 139   7.457  14.511   9.446
 1077   2HG1  VAL 139          2HG1      VAL 139   5.878  14.318  10.206
 1078   3HG1  VAL 139          3HG1      VAL 139   6.246  13.462   8.709
 1079   1HG2  VAL 139          1HG2      VAL 139   6.390  11.170   9.093
 1080   2HG2  VAL 139          2HG2      VAL 139   5.314  11.578  10.428
 1081   3HG2  VAL 139          3HG2      VAL 139   6.720  10.552  10.711
 1082    H    SER 140           HN       SER 140   8.812   9.863   9.520
 1083    HA   SER 140           HA       SER 140  10.431   9.216  11.916
 1084   1HB   SER 140          2HB       SER 140   7.681   8.093  11.354
 1085   2HB   SER 140          1HB       SER 140   8.837   7.282  12.407
 1086    HG   SER 140           HG       SER 140   7.226   9.337  12.952
 1087    H    SER 141           HN       SER 141  11.735   7.407  11.609
 1088    HA   SER 141           HA       SER 141  11.288   5.694   9.248
 1089   1HB   SER 141          2HB       SER 141  14.021   6.242   9.165
 1090   2HB   SER 141          1HB       SER 141  12.816   6.814   8.017
 1091    HG   SER 141           HG       SER 141  13.654   8.079  10.422
 1092    H    ARG 142           HN       ARG 142  11.885   3.591   9.737
 1093    HA   ARG 142           HA       ARG 142  13.714   3.196  12.068
 1094   1HB   ARG 142          2HB       ARG 142  11.116   2.611  12.261
 1095   2HB   ARG 142          1HB       ARG 142  11.623   1.156  11.401
 1096   1HG   ARG 142          2HG       ARG 142  13.453   0.904  13.153
 1097   2HG   ARG 142          1HG       ARG 142  12.635   2.171  14.066
 1098   1HD   ARG 142          2HD       ARG 142  11.606   0.320  14.981
 1099   2HD   ARG 142          1HD       ARG 142  10.514   0.616  13.630
 1100    HE   ARG 142           HE       ARG 142  12.167  -1.075  12.422
 1101   1HH1  ARG 142          1HH2      ARG 142  11.048  -1.149  15.717
 1102   2HH1  ARG 142          2HH2      ARG 142  11.196  -2.866  15.844
 1103   1HH2  ARG 142          1HH1      ARG 142  12.343  -3.304  12.610
 1104   2HH2  ARG 142          2HH1      ARG 142  11.921  -4.080  14.100
 1105    H    THR 143           HN       THR 143  15.523   2.035  11.460
 1106    HA   THR 143           HA       THR 143  15.375   0.538   8.884
 1107    HB   THR 143           HB       THR 143  17.901   1.335  10.333
 1108    HG1  THR 143           HG1      THR 143  16.716   3.215   9.992
 1109   1HG2  THR 143          1HG2      THR 143  18.890   0.398   8.549
 1110   2HG2  THR 143          2HG2      THR 143  17.973   1.438   7.461
 1111   3HG2  THR 143          3HG2      THR 143  17.306  -0.114   7.969
 1112    H    VAL 144           HN       VAL 144  15.603  -1.657   8.948
 1113    HA   VAL 144           HA       VAL 144  16.721  -2.856  11.444
 1114    HB   VAL 144           HB       VAL 144  14.270  -3.074  11.476
 1115   1HG1  VAL 144          1HG1      VAL 144  13.118  -4.343   9.719
 1116   2HG1  VAL 144          2HG1      VAL 144  14.640  -4.543   8.849
 1117   3HG1  VAL 144          3HG1      VAL 144  13.929  -2.939   9.025
 1118   1HG2  VAL 144          1HG2      VAL 144  14.155  -5.543  11.657
 1119   2HG2  VAL 144          2HG2      VAL 144  15.625  -4.914  12.400
 1120   3HG2  VAL 144          3HG2      VAL 144  15.695  -5.671  10.808
 1121    H    GLU 145           HN       GLU 145  18.267  -4.361  11.080
 1122    HA   GLU 145           HA       GLU 145  18.980  -4.994   8.295
 1123   1HB   GLU 145          2HB       GLU 145  20.303  -5.377  10.975
 1124   2HB   GLU 145          1HB       GLU 145  20.905  -6.224   9.549
 1125   1HG   GLU 145          HG2       GLU 145  21.522  -4.245   8.469
 1126   2HG   GLU 145          HG1       GLU 145  20.404  -3.263   9.418
 1127    H    ASP 146           HN       ASP 146  19.449  -7.270   7.691
 1128    HA   ASP 146           HA       ASP 146  17.929  -9.282   9.272
 1129   1HB   ASP 146          2HB       ASP 146  16.987  -8.116   6.872
 1130   2HB   ASP 146          1HB       ASP 146  17.533  -9.737   6.445
 1131    H    THR 147           HN       THR 147  18.564 -11.501   8.756
 1132    HA   THR 147           HA       THR 147  21.364 -11.870   8.400
 1133    HB   THR 147           HB       THR 147  20.623 -14.316   7.958
 1134    HG1  THR 147           HG1      THR 147  18.584 -14.367   7.454
 1135   1HG2  THR 147          1HG2      THR 147  19.772 -12.833  10.459
 1136   2HG2  THR 147          2HG2      THR 147  21.362 -13.528  10.148
 1137   3HG2  THR 147          3HG2      THR 147  19.961 -14.582  10.342
 1138    H    ASN 148           HN       ASN 148  18.920 -11.307   6.095
 1139    HA   ASN 148           HA       ASN 148  20.622 -12.423   3.908
 1140   1HB   ASN 148          2HB       ASN 148  17.991 -12.859   4.259
 1141   2HB   ASN 148          1HB       ASN 148  17.908 -11.385   3.295
 1142   1HD2  ASN 148          1HD2      ASN 148  18.135 -11.641   1.056
 1143   2HD2  ASN 148          2HD2      ASN 148  18.745 -13.035   0.303
 1144    HA   PRO 149           HA       PRO 149  22.165  -8.336   3.060
 1145   1HB   PRO 149          2HB       PRO 149  22.427  -9.054   0.271
 1146   2HB   PRO 149          1HB       PRO 149  23.699  -8.842   1.481
 1147   1HG   PRO 149          2HG       PRO 149  22.639 -11.287   0.397
 1148   2HG   PRO 149          1HG       PRO 149  23.994 -11.066   1.513
 1149   1HD   PRO 149          2HD       PRO 149  21.513 -12.200   2.142
 1150   2HD   PRO 149          1HD       PRO 149  22.735 -11.651   3.301
 1151    H    ALA 150           HN       ALA 150  19.967  -9.809   0.648
 1152    HA   ALA 150           HA       ALA 150  19.029  -7.193  -0.238
 1153   1HB   ALA 150          1HB       ALA 150  18.253 -10.039  -0.865
 1154   2HB   ALA 150          2HB       ALA 150  19.001  -8.842  -1.924
 1155   3HB   ALA 150          3HB       ALA 150  17.307  -8.679  -1.467
 1156    H    LEU 151           HN       LEU 151  17.829  -9.689   1.995
 1157    HA   LEU 151           HA       LEU 151  15.184  -8.572   2.214
 1158   1HB   LEU 151          2HB       LEU 151  16.732 -10.297   4.169
 1159   2HB   LEU 151          1HB       LEU 151  15.014  -9.944   4.282
 1160    HG   LEU 151           HG       LEU 151  16.394 -11.402   2.008
 1161   1HD1  LEU 151          1HD1      LEU 151  14.503 -12.264   4.210
 1162   2HD1  LEU 151          2HD1      LEU 151  16.135 -12.853   3.905
 1163   3HD1  LEU 151          3HD1      LEU 151  14.834 -13.249   2.786
 1164   1HD2  LEU 151          1HD2      LEU 151  14.482  -9.939   1.277
 1165   2HD2  LEU 151          2HD2      LEU 151  13.440 -10.817   2.394
 1166   3HD2  LEU 151          3HD2      LEU 151  14.178 -11.657   1.032
 1167    H    THR 152           HN       THR 152  18.103  -7.236   3.152
 1168    HA   THR 152           HA       THR 152  17.333  -6.068   5.698
 1169    HB   THR 152           HB       THR 152  19.340  -4.989   3.693
 1170    HG1  THR 152           HG1      THR 152  19.772  -6.855   5.779
 1171   1HG2  THR 152          1HG2      THR 152  18.470  -3.895   6.035
 1172   2HG2  THR 152          2HG2      THR 152  20.082  -3.641   5.367
 1173   3HG2  THR 152          3HG2      THR 152  19.825  -4.872   6.602
 1174    H    HIS 153           HN       HIS 153  16.476  -3.871   6.002
 1175    HA   HIS 153           HA       HIS 153  15.978  -2.181   3.705
 1176   1HB   HIS 153          2HB       HIS 153  13.486  -2.408   3.695
 1177   2HB   HIS 153          1HB       HIS 153  14.328  -3.849   3.131
 1178    HD1  HIS 153           HD1      HIS 153  14.721  -5.738   5.089
 1179    HD2  HIS 153           HD2      HIS 153  11.728  -2.918   5.771
 1180    HE1  HIS 153           HE1      HIS 153  13.235  -6.696   6.903
 1181    H    THR 154           HN       THR 154  14.289  -0.442   4.273
 1182    HA   THR 154           HA       THR 154  14.321   0.168   7.192
 1183    HB   THR 154           HB       THR 154  14.853   2.235   5.047
 1184    HG1  THR 154           HG1      THR 154  16.685   1.203   4.892
 1185   1HG2  THR 154          1HG2      THR 154  14.277   3.424   6.932
 1186   2HG2  THR 154          2HG2      THR 154  15.993   3.192   7.260
 1187   3HG2  THR 154          3HG2      THR 154  14.800   2.145   8.026
 1188    H    TYR 155           HN       TYR 155  12.600   1.692   7.800
 1189    HA   TYR 155           HA       TYR 155  10.332   1.657   5.847
 1190   1HB   TYR 155          2HB       TYR 155  10.254   1.900   8.873
 1191   2HB   TYR 155          1HB       TYR 155   8.853   1.824   7.806
 1192    HD1  TYR 155           HD1      TYR 155   8.492  -0.260   6.396
 1193    HD2  TYR 155           HD2      TYR 155  11.363  -0.073   9.585
 1194    HE1  TYR 155           HE1      TYR 155   8.558  -2.738   6.482
 1195    HE2  TYR 155           HE2      TYR 155  11.431  -2.550   9.670
 1196    HH   TYR 155           HH       TYR 155  10.582  -4.494   7.410
 1197    H    GLU 156           HN       GLU 156   9.736   3.654   5.059
 1198    HA   GLU 156           HA       GLU 156  10.661   6.042   6.604
 1199   1HB   GLU 156          2HB       GLU 156  10.412   5.552   3.635
 1200   2HB   GLU 156          1HB       GLU 156  10.540   7.174   4.308
 1201   1HG   GLU 156          HG2       GLU 156  12.545   5.445   5.478
 1202   2HG   GLU 156          HG1       GLU 156  12.658   5.412   3.718
 1203    H    VAL 157           HN       VAL 157   9.052   7.299   7.386
 1204    HA   VAL 157           HA       VAL 157   6.341   7.077   6.131
 1205    HB   VAL 157           HB       VAL 157   6.965   7.905   8.980
 1206   1HG1  VAL 157          1HG1      VAL 157   4.534   7.586   7.320
 1207   2HG1  VAL 157          2HG1      VAL 157   4.808   8.603   8.734
 1208   3HG1  VAL 157          3HG1      VAL 157   4.434   6.892   8.938
 1209   1HG2  VAL 157          1HG2      VAL 157   6.737   5.229   7.720
 1210   2HG2  VAL 157          2HG2      VAL 157   5.796   5.453   9.195
 1211   3HG2  VAL 157          3HG2      VAL 157   7.542   5.703   9.216
 1212    H    TRP 158           HN       TRP 158   5.597   8.957   5.211
 1213    HA   TRP 158           HA       TRP 158   6.978  11.496   5.999
 1214   1HB   TRP 158          2HB       TRP 158   5.726  10.762   3.341
 1215   2HB   TRP 158          1HB       TRP 158   6.472  12.310   3.721
 1216    HD1  TRP 158           HD1      TRP 158   7.548   8.587   3.985
 1217    HE1  TRP 158           HE1      TRP 158   9.991   8.420   3.178
 1218    HE3  TRP 158           HE3      TRP 158   8.466  13.484   2.904
 1219    HZ2  TRP 158           HZ2      TRP 158  12.064  10.136   2.211
 1220    HZ3  TRP 158           HZ3      TRP 158  10.675  14.196   2.043
 1221    HH2  TRP 158           HH2      TRP 158  12.476  12.529   1.695
 1222    H    GLN 159           HN       GLN 159   5.632  13.468   5.644
 1223    HA   GLN 159           HA       GLN 159   2.703  13.018   5.980
 1224   1HB   GLN 159          2HB       GLN 159   4.537  14.660   7.748
 1225   2HB   GLN 159          1HB       GLN 159   2.799  14.952   7.676
 1226   1HG   GLN 159          2HG       GLN 159   2.737  12.299   8.051
 1227   2HG   GLN 159          1HG       GLN 159   4.287  12.636   8.823
 1228   1HE2  GLN 159          1HE2      GLN 159   3.876  12.740  11.045
 1229   2HE2  GLN 159          2HE2      GLN 159   2.611  13.622  11.754
 1230    H    LYS 160           HN       LYS 160   1.467  14.662   4.862
 1231    HA   LYS 160           HA       LYS 160   2.907  16.167   2.883
 1232   1HB   LYS 160          2HB       LYS 160   0.481  15.231   2.838
 1233   2HB   LYS 160          1HB       LYS 160   0.061  16.715   3.691
 1234   1HG   LYS 160          2HG       LYS 160   1.764  17.473   1.553
 1235   2HG   LYS 160          1HG       LYS 160   0.583  16.348   0.882
 1236   1HD   LYS 160          2HD       LYS 160  -0.294  18.582   2.703
 1237   2HD   LYS 160          1HD       LYS 160  -0.041  18.872   0.981
 1238   1HE   LYS 160          2HE       LYS 160  -1.522  16.668   0.759
 1239   2HE   LYS 160          1HE       LYS 160  -2.108  17.190   2.338
 1240   1HZ   LYS 160          1HE       LYS 160  -3.420  18.595   1.261
 1241   2HZ   LYS 160          2HE       LYS 160  -2.680  18.257  -0.230
 1242   3HZ   LYS 160          3HE       LYS 160  -2.043  19.462   0.784
 1243    H    LYS 161           HN       LYS 161   3.701  18.192   2.988
 1244    HA   LYS 161           HA       LYS 161   3.376  19.734   5.477
 1245   1HB   LYS 161          2HB       LYS 161   4.973  20.303   2.959
 1246   2HB   LYS 161          1HB       LYS 161   5.039  21.259   4.439
 1247   1HG   LYS 161          2HG       LYS 161   5.489  18.313   4.658
 1248   2HG   LYS 161          1HG       LYS 161   6.787  19.300   3.986
 1249   1HD   LYS 161          2HD       LYS 161   7.375  19.817   6.100
 1250   2HD   LYS 161          1HD       LYS 161   5.875  20.736   6.220
 1251   1HE   LYS 161          2HE       LYS 161   4.731  18.986   7.269
 1252   2HE   LYS 161          1HE       LYS 161   5.841  17.761   6.653
 1253   1HZ   LYS 161          1HE       LYS 161   6.908  19.835   8.423
 1254   2HZ   LYS 161          2HE       LYS 161   7.380  18.212   8.246
 1255   3HZ   LYS 161          3HE       LYS 161   5.974  18.601   9.117
 1256    H    ALA 162           HN       ALA 162   2.688  22.007   5.404
 1257    HA   ALA 162           HA       ALA 162   0.519  22.400   3.410
 1258   1HB   ALA 162          1HB       ALA 162   0.043  24.414   5.011
 1259   2HB   ALA 162          2HB       ALA 162   1.131  23.570   6.113
 1260   3HB   ALA 162          3HB       ALA 162  -0.344  22.782   5.555
 1261   AH51  NDP 168          AH51      NDP 168  -6.272  -2.210  -8.310
 1262   AH52  NDP 168          AH52      NDP 168  -6.082  -0.945  -9.528
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.775  -3.445  -9.920
 1264   AH3*  NDP 168          AH3*      NDP 168  -7.360  -0.991 -11.644
 1265   AHO3  NDP 168          AHO3      NDP 168  -7.543  -2.722 -13.216
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.652  -1.190 -12.309
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.648  -1.631  -9.774
 1268   AH8   NDP 168          AH8       NDP 168  -7.663   0.764 -10.154
 1269   AH61  NDP 168          AH61      NDP 168 -11.974   5.221  -9.962
 1270   AH62  NDP 168          AH62      NDP 168 -10.262   4.881  -9.916
 1271   AH2   NDP 168          AH2       NDP 168 -14.076   1.254  -9.998
 1272   NH51  NDP 168          NH51      NDP 168  -1.718  -5.055  -9.830
 1273   NH52  NDP 168          NH52      NDP 168  -1.448  -4.087  -8.375
 1274   NH4*  NDP 168          NH4*      NDP 168   0.640  -5.773  -9.846
 1275   NH3*  NDP 168          NH3*      NDP 168  -0.799  -6.271  -7.227
 1276   NHO3  NDP 168          NHO3      NDP 168  -1.239  -7.339  -9.410
 1277   NH2*  NDP 168          NH2*      NDP 168   1.209  -7.352  -6.473
 1278   NHO2  NDP 168          NHO2      NDP 168   2.856  -7.145  -8.572
 1279   NH1*  NDP 168          NH1*      NDP 168   2.943  -5.437  -7.503
 1280   NH2   NDP 168          NH2       NDP 168   3.647  -4.219  -5.571
 1281   NH71  NDP 168          NH71      NDP 168   5.132  -3.826  -4.801
 1282   NH72  NDP 168          NH72      NDP 168   5.684  -2.850  -3.459
 1283   NH41  NDP 168          NH41      NDP 168   0.720  -2.740  -3.321
 1284   NH42  NDP 168          NH42      NDP 168   1.093  -4.299  -2.512
 1285   NH5   NDP 168          NH5       NDP 168  -1.011  -4.452  -3.820
 1286   NH6   NDP 168          NH6       NDP 168  -0.484  -5.562  -6.048
 1287    H1   TRR 170           H1       TRR 170   4.837  -5.243   1.524
 1288   1H2   TRR 170          1H2       TRR 170   5.861  -3.251   2.349
 1289   2H2   TRR 170          2H2       TRR 170   5.023  -1.762   2.250
 1290   1H4   TRR 170          1H4       TRR 170  -0.095  -3.035  -0.269
 1291   2H4   TRR 170          2H4       TRR 170   0.626  -1.611   0.315
 1292    H6   TRR 170           H6       TRR 170   3.027  -6.463   0.493
 1293   1H7   TRR 170          1H7       TRR 170   0.504  -4.927  -1.339
 1294   2H7   TRR 170          2H7       TRR 170  -0.223  -5.173   0.247
 1295    H12  TRR 170           H12      TRR 170   1.614  -6.717  -2.500
 1296    H16  TRR 170           H16      TRR 170   0.108  -7.246   1.505
 1297   1H17  TRR 170          1H17      TRR 170   2.883  -8.999  -4.811
 1298   2H17  TRR 170          2H17      TRR 170   3.003  -7.653  -3.688
 1299   3H17  TRR 170          3H17      TRR 170   1.470  -8.013  -4.469
 1300   1H18  TRR 170          1H18      TRR 170  -0.535 -11.746  -1.208
 1301   2H18  TRR 170          2H18      TRR 170   0.798 -12.669  -1.884
 1302   3H18  TRR 170          3H18      TRR 170   0.311 -11.154  -2.630
 1303   1H19  TRR 170          1H19      TRR 170  -0.686 -10.112   3.289
 1304   2H19  TRR 170          2H19      TRR 170  -0.852  -8.556   2.498
 1305   3H19  TRR 170          3H19      TRR 170   0.643  -8.964   3.317
  Start of MODEL    4
    1   1H    THR   1          1H        THR   1  -6.628  10.640   3.179
    2   2H    THR   1          2H        THR   1  -5.023  11.129   3.440
    3   3H    THR   1          3H        THR   1  -5.697   9.882   4.376
    4    HA   THR   1           HA       THR   1  -5.714   8.382   2.599
    5    HB   THR   1           HB       THR   1  -4.798  10.574   0.743
    6    HG1  THR   1           HG1      THR   1  -6.749  11.316   1.077
    7   1HG2  THR   1          1HG2      THR   1  -4.674   8.868  -0.714
    8   2HG2  THR   1          2HG2      THR   1  -6.378   8.505  -0.442
    9   3HG2  THR   1          3HG2      THR   1  -5.145   7.747   0.564
   10    H    ALA   2           HN       ALA   2  -3.937   7.146   2.857
   11    HA   ALA   2           HA       ALA   2  -1.275   8.502   2.755
   12   1HB   ALA   2          1HB       ALA   2  -1.840   6.093   4.481
   13   2HB   ALA   2          2HB       ALA   2  -2.147   7.725   5.075
   14   3HB   ALA   2          3HB       ALA   2  -0.515   7.248   4.610
   15    H    PHE   3           HN       PHE   3   0.441   7.206   1.886
   16    HA   PHE   3           HA       PHE   3  -0.528   4.955   0.177
   17   1HB   PHE   3          2HB       PHE   3   1.744   6.916  -0.035
   18   2HB   PHE   3          1HB       PHE   3   1.874   5.356  -0.836
   19    HD1  PHE   3           HD1      PHE   3  -1.534   6.520  -0.539
   20    HD2  PHE   3           HD2      PHE   3   2.022   6.827  -2.932
   21    HE1  PHE   3           HE1      PHE   3  -2.876   7.382  -2.436
   22    HE2  PHE   3           HE2      PHE   3   0.673   7.684  -4.822
   23    HZ   PHE   3           HZ       PHE   3  -1.776   7.962  -4.573
   24    H    LEU   4           HN       LEU   4   0.228   2.884   0.646
   25    HA   LEU   4           HA       LEU   4   2.558   2.688   2.502
   26   1HB   LEU   4          2HB       LEU   4   0.595   2.343   3.876
   27   2HB   LEU   4          1HB       LEU   4  -0.102   1.242   2.691
   28    HG   LEU   4           HG       LEU   4   1.846  -0.299   3.061
   29   1HD1  LEU   4          1HD1      LEU   4   2.520   1.863   5.041
   30   2HD1  LEU   4          2HD1      LEU   4   3.580   1.044   3.894
   31   3HD1  LEU   4          3HD1      LEU   4   3.023   0.200   5.339
   32   1HD2  LEU   4          1HD2      LEU   4  -0.261  -0.694   4.236
   33   2HD2  LEU   4          2HD2      LEU   4   0.197   0.455   5.494
   34   3HD2  LEU   4          3HD2      LEU   4   1.087  -1.056   5.313
   35    H    TRP   5           HN       TRP   5   3.870   2.089   0.667
   36    HA   TRP   5           HA       TRP   5   3.244  -0.656  -0.318
   37   1HB   TRP   5          2HB       TRP   5   3.946  -0.117  -2.534
   38   2HB   TRP   5          1HB       TRP   5   2.828   1.152  -2.053
   39    HD1  TRP   5           HD1      TRP   5   6.272   0.594  -3.307
   40    HE1  TRP   5           HE1      TRP   5   7.571   2.821  -3.378
   41    HE3  TRP   5           HE3      TRP   5   3.112   3.548  -0.587
   42    HZ2  TRP   5           HZ2      TRP   5   7.304   5.501  -2.409
   43    HZ3  TRP   5           HZ3      TRP   5   3.660   5.930  -0.179
   44    HH2  TRP   5           HH2      TRP   5   5.748   6.909  -1.085
   45    H    ALA   6           HN       ALA   6   5.342  -1.595  -1.378
   46    HA   ALA   6           HA       ALA   6   7.729  -0.773   0.212
   47   1HB   ALA   6          1HB       ALA   6   6.488  -3.515  -0.040
   48   2HB   ALA   6          2HB       ALA   6   7.022  -2.682   1.420
   49   3HB   ALA   6          3HB       ALA   6   8.210  -3.330   0.290
   50    H    GLN   7           HN       GLN   7   9.378  -0.389  -1.192
   51    HA   GLN   7           HA       GLN   7   9.336  -1.862  -3.790
   52   1HB   GLN   7          2HB       GLN   7  10.385   0.222  -4.760
   53   2HB   GLN   7          1HB       GLN   7   8.707   0.406  -4.258
   54   1HG   GLN   7          2HG       GLN   7   9.250   1.968  -2.724
   55   2HG   GLN   7          1HG       GLN   7  10.528   0.954  -2.054
   56   1HE2  GLN   7          1HE2      GLN   7   9.844   3.320  -4.651
   57   2HE2  GLN   7          2HE2      GLN   7  11.465   3.762  -4.892
   58    H    ASP   8           HN       ASP   8  11.448  -2.232  -4.751
   59    HA   ASP   8           HA       ASP   8  13.488  -2.790  -2.729
   60   1HB   ASP   8          2HB       ASP   8  14.745  -3.773  -4.619
   61   2HB   ASP   8          1HB       ASP   8  13.088  -4.376  -4.578
   62    H    ARG   9           HN       ARG   9  15.858  -2.255  -4.137
   63    HA   ARG   9           HA       ARG   9  16.251   0.501  -3.507
   64   1HB   ARG   9          2HB       ARG   9  18.456   0.235  -4.623
   65   2HB   ARG   9          1HB       ARG   9  18.115  -1.065  -3.485
   66   1HG   ARG   9          2HG       ARG   9  18.641  -2.452  -5.196
   67   2HG   ARG   9          1HG       ARG   9  17.042  -2.055  -5.819
   68   1HD   ARG   9          2HD       ARG   9  17.988  -1.090  -7.615
   69   2HD   ARG   9          1HD       ARG   9  18.807   0.063  -6.566
   70    HE   ARG   9           HE       ARG   9  19.976  -2.404  -7.686
   71   1HH1  ARG   9          1HH1      ARG   9  20.217   0.246  -5.444
   72   2HH1  ARG   9          2HH1      ARG   9  21.925   0.072  -5.251
   73   1HH2  ARG   9          1HH2      ARG   9  22.193  -2.611  -7.419
   74   2HH2  ARG   9          2HH2      ARG   9  23.038  -1.533  -6.359
   75    H    ASP  10           HN       ASP  10  15.720  -1.109  -6.670
   76    HA   ASP  10           HA       ASP  10  16.016   1.317  -8.205
   77   1HB   ASP  10          2HB       ASP  10  14.811  -1.393  -8.734
   78   2HB   ASP  10          1HB       ASP  10  14.614  -0.086  -9.902
   79    H    GLY  11           HN       GLY  11  13.336  -0.259  -6.600
   80   1HA   GLY  11          2HA       GLY  11  11.509   1.198  -5.753
   81   2HA   GLY  11          1HA       GLY  11  11.657   2.139  -7.231
   82    H    LEU  12           HN       LEU  12  11.579  -1.407  -7.006
   83    HA   LEU  12           HA       LEU  12   9.340  -1.439  -8.931
   84   1HB   LEU  12          2HB       LEU  12  11.402  -3.035  -8.898
   85   2HB   LEU  12          1HB       LEU  12  10.539  -3.868  -7.605
   86    HG   LEU  12           HG       LEU  12   8.517  -3.841  -9.229
   87   1HD1  LEU  12          1HD1      LEU  12  10.322  -2.381 -10.767
   88   2HD1  LEU  12          2HD1      LEU  12   8.823  -3.110 -11.340
   89   3HD1  LEU  12          3HD1      LEU  12  10.344  -3.984 -11.504
   90   1HD2  LEU  12          1HD2      LEU  12  10.913  -5.529  -9.989
   91   2HD2  LEU  12          2HD2      LEU  12   9.210  -5.954 -10.167
   92   3HD2  LEU  12          3HD2      LEU  12   9.927  -5.830  -8.559
   93    H    ILE  13           HN       ILE  13   7.280  -2.601  -8.400
   94    HA   ILE  13           HA       ILE  13   6.853  -2.990  -5.486
   95    HB   ILE  13           HB       ILE  13   4.579  -1.891  -5.801
   96   1HG1  ILE  13          2HG1      ILE  13   5.648  -0.288  -8.041
   97   2HG1  ILE  13          1HG1      ILE  13   5.228  -1.948  -8.462
   98   1HG2  ILE  13          1HG2      ILE  13   6.921  -0.874  -4.962
   99   2HG2  ILE  13          2HG2      ILE  13   5.446   0.090  -5.037
  100   3HG2  ILE  13          3HG2      ILE  13   6.633   0.193  -6.338
  101   1HD1  ILE  13          1HD1      ILE  13   3.468   0.281  -7.995
  102   2HD1  ILE  13          2HD1      ILE  13   3.138  -0.976  -6.803
  103   3HD1  ILE  13          3HD1      ILE  13   3.059  -1.351  -8.524
  104    H    GLY  14           HN       GLY  14   6.340  -4.002  -8.727
  105   1HA   GLY  14          2HA       GLY  14   4.611  -6.211  -7.722
  106   2HA   GLY  14          1HA       GLY  14   4.157  -5.354  -9.197
  107    H    LYS  15           HN       LYS  15   5.146  -8.216  -8.593
  108    HA   LYS  15           HA       LYS  15   7.101  -8.253 -10.843
  109   1HB   LYS  15          2HB       LYS  15   8.130  -8.455  -8.435
  110   2HB   LYS  15          1HB       LYS  15   7.495 -10.097  -8.503
  111   1HG   LYS  15          2HG       LYS  15   8.906  -9.282 -10.952
  112   2HG   LYS  15          1HG       LYS  15   9.934  -9.304  -9.519
  113   1HD   LYS  15          2HD       LYS  15   8.140 -11.627  -9.709
  114   2HD   LYS  15          1HD       LYS  15   9.295 -11.517 -11.038
  115   1HE   LYS  15          2HE       LYS  15  11.016 -11.013  -9.102
  116   2HE   LYS  15          1HE       LYS  15   9.815 -11.826  -8.099
  117   1HZ   LYS  15          1HE       LYS  15  10.215 -13.802  -9.061
  118   2HZ   LYS  15          2HE       LYS  15  11.716 -13.105  -9.445
  119   3HZ   LYS  15          3HE       LYS  15  10.473 -13.142 -10.603
  120    H    ASP  16           HN       ASP  16   5.212  -9.017 -12.093
  121    HA   ASP  16           HA       ASP  16   3.874 -10.694 -12.992
  122   1HB   ASP  16          2HB       ASP  16   6.342 -11.946 -12.059
  123   2HB   ASP  16          1HB       ASP  16   4.991 -13.077 -12.060
  124    H    GLY  17           HN       GLY  17   2.666  -9.647 -10.731
  125   1HA   GLY  17          2HA       GLY  17   0.772 -10.370  -9.504
  126   2HA   GLY  17          1HA       GLY  17   1.309 -12.039  -9.690
  127    H    HIS  18           HN       HIS  18   2.949 -12.829  -8.275
  128    HA   HIS  18           HA       HIS  18   2.748 -11.917  -5.575
  129   1HB   HIS  18          2HB       HIS  18   4.564 -13.542  -5.124
  130   2HB   HIS  18          1HB       HIS  18   3.306 -14.239  -6.145
  131    HD1  HIS  18           HD1      HIS  18   6.904 -13.463  -6.068
  132    HD2  HIS  18           HD2      HIS  18   4.064 -14.331  -8.994
  133    HE1  HIS  18           HE1      HIS  18   8.194 -14.049  -8.167
  134    H    LEU  19           HN       LEU  19   4.232 -10.797  -4.262
  135    HA   LEU  19           HA       LEU  19   5.613  -8.589  -5.298
  136   1HB   LEU  19          2HB       LEU  19   5.770 -10.135  -2.747
  137   2HB   LEU  19          1HB       LEU  19   7.095  -9.026  -3.094
  138    HG   LEU  19           HG       LEU  19   4.194  -8.187  -3.260
  139   1HD1  LEU  19          1HD1      LEU  19   6.104  -7.877  -0.925
  140   2HD1  LEU  19          2HD1      LEU  19   4.722  -8.972  -0.965
  141   3HD1  LEU  19          3HD1      LEU  19   4.467  -7.227  -1.019
  142   1HD2  LEU  19          1HD2      LEU  19   5.928  -6.818  -4.434
  143   2HD2  LEU  19          2HD2      LEU  19   6.755  -6.605  -2.891
  144   3HD2  LEU  19          3HD2      LEU  19   5.139  -5.942  -3.125
  145    HA   PRO  20           HA       PRO  20   9.282 -10.118  -7.223
  146   1HB   PRO  20          2HB       PRO  20  10.915  -7.952  -6.190
  147   2HB   PRO  20          1HB       PRO  20  10.306  -8.198  -7.834
  148   1HG   PRO  20          2HG       PRO  20   9.454  -6.218  -6.108
  149   2HG   PRO  20          1HG       PRO  20   8.553  -6.800  -7.511
  150   1HD   PRO  20          2HD       PRO  20   8.105  -7.341  -4.635
  151   2HD   PRO  20          1HD       PRO  20   6.954  -7.368  -5.987
  152    H    TRP  21           HN       TRP  21   9.434  -9.266  -3.796
  153    HA   TRP  21           HA       TRP  21  11.591 -11.316  -3.467
  154   1HB   TRP  21          2HB       TRP  21  12.378  -9.886  -1.539
  155   2HB   TRP  21          1HB       TRP  21  12.560  -9.109  -3.116
  156    HD1  TRP  21           HD1      TRP  21  10.255  -9.116  -0.046
  157    HE1  TRP  21           HE1      TRP  21   8.937  -6.901  -0.004
  158    HE3  TRP  21           HE3      TRP  21  11.779  -7.100  -4.483
  159    HZ2  TRP  21           HZ2      TRP  21   8.579  -4.582  -1.635
  160    HZ3  TRP  21           HZ3      TRP  21  10.930  -4.889  -5.214
  161    HH2  TRP  21           HH2      TRP  21   9.335  -3.634  -3.797
  162    H    HIS  22           HN       HIS  22  11.363 -12.645  -1.611
  163    HA   HIS  22           HA       HIS  22   8.658 -12.589  -0.382
  164   1HB   HIS  22          2HB       HIS  22   9.972 -14.687  -1.394
  165   2HB   HIS  22          1HB       HIS  22  10.637 -14.740   0.239
  166    HD1  HIS  22           HD1      HIS  22   7.268 -14.692  -1.528
  167    HD2  HIS  22           HD2      HIS  22   8.908 -15.813   2.137
  168    HE1  HIS  22           HE1      HIS  22   5.422 -15.856  -0.243
  169    H    LEU  23           HN       LEU  23   8.764 -11.055   1.258
  170    HA   LEU  23           HA       LEU  23  10.749 -11.602   3.425
  171   1HB   LEU  23          2HB       LEU  23  11.466  -9.597   2.192
  172   2HB   LEU  23          1HB       LEU  23   9.870  -8.881   2.405
  173    HG   LEU  23           HG       LEU  23  10.230  -9.081   4.910
  174   1HD1  LEU  23          1HD1      LEU  23  12.727  -9.189   5.510
  175   2HD1  LEU  23          2HD1      LEU  23  12.956  -9.876   3.903
  176   3HD1  LEU  23          3HD1      LEU  23  11.946 -10.711   5.080
  177   1HD2  LEU  23          1HD2      LEU  23  11.331  -7.003   5.015
  178   2HD2  LEU  23          2HD2      LEU  23  10.714  -7.023   3.363
  179   3HD2  LEU  23          3HD2      LEU  23  12.406  -7.403   3.675
  180    HA   PRO  24           HA       PRO  24   6.733 -11.909   5.518
  181   1HB   PRO  24          2HB       PRO  24   8.095 -12.815   7.861
  182   2HB   PRO  24          1HB       PRO  24   7.154 -13.777   6.714
  183   1HG   PRO  24          2HG       PRO  24   9.959 -13.815   7.103
  184   2HG   PRO  24          1HG       PRO  24   9.027 -14.680   5.875
  185   1HD   PRO  24          2HD       PRO  24  10.728 -12.345   5.560
  186   2HD   PRO  24          1HD       PRO  24   9.991 -13.362   4.315
  187    H    ASP  25           HN       ASP  25   9.712 -10.467   6.765
  188    HA   ASP  25           HA       ASP  25   8.580  -9.059   8.974
  189   1HB   ASP  25          2HB       ASP  25  11.099  -9.366   8.018
  190   2HB   ASP  25          1HB       ASP  25  10.760  -7.726   7.462
  191    H    ASP  26           HN       ASP  26   8.643  -8.354   5.526
  192    HA   ASP  26           HA       ASP  26   7.748  -5.598   5.857
  193   1HB   ASP  26          2HB       ASP  26   9.009  -6.155   3.866
  194   2HB   ASP  26          1HB       ASP  26   7.871  -7.432   3.445
  195    H    LEU  27           HN       LEU  27   6.199  -8.692   4.924
  196    HA   LEU  27           HA       LEU  27   3.594  -7.756   4.436
  197   1HB   LEU  27          2HB       LEU  27   4.495 -10.316   5.798
  198   2HB   LEU  27          1HB       LEU  27   2.845 -10.018   5.250
  199    HG   LEU  27           HG       LEU  27   5.180  -9.719   3.367
  200   1HD1  LEU  27          1HD1      LEU  27   5.488 -11.957   4.027
  201   2HD1  LEU  27          2HD1      LEU  27   4.424 -12.100   2.629
  202   3HD1  LEU  27          3HD1      LEU  27   3.761 -12.223   4.259
  203   1HD2  LEU  27          1HD2      LEU  27   2.361 -10.610   2.767
  204   2HD2  LEU  27          2HD2      LEU  27   3.530  -9.855   1.683
  205   3HD2  LEU  27          3HD2      LEU  27   2.748  -8.898   2.941
  206    H    HIS  28           HN       HIS  28   5.119  -8.603   7.550
  207    HA   HIS  28           HA       HIS  28   2.838  -8.091   9.195
  208   1HB   HIS  28          2HB       HIS  28   5.799  -7.823   9.810
  209   2HB   HIS  28          1HB       HIS  28   4.520  -7.781  11.023
  210    HD1  HIS  28           HD1      HIS  28   2.714 -10.033  10.257
  211    HD2  HIS  28           HD2      HIS  28   6.860 -10.367   9.973
  212    HE1  HIS  28           HE1      HIS  28   3.237 -12.511  10.288
  213    H    TYR  29           HN       TYR  29   5.384  -5.989   7.909
  214    HA   TYR  29           HA       TYR  29   4.658  -3.625   9.369
  215   1HB   TYR  29          2HB       TYR  29   6.789  -3.978   8.031
  216   2HB   TYR  29          1HB       TYR  29   5.827  -3.730   6.574
  217    HD1  TYR  29           HD1      TYR  29   6.656  -2.135   9.857
  218    HD2  TYR  29           HD2      TYR  29   5.417  -1.557   5.785
  219    HE1  TYR  29           HE1      TYR  29   6.843   0.320  10.149
  220    HE2  TYR  29           HE2      TYR  29   5.603   0.899   6.077
  221    HH   TYR  29           HH       TYR  29   6.374   2.542   7.428
  222    H    PHE  30           HN       PHE  30   3.522  -5.070   6.362
  223    HA   PHE  30           HA       PHE  30   1.857  -2.859   5.543
  224   1HB   PHE  30          2HB       PHE  30   2.600  -4.648   3.994
  225   2HB   PHE  30          1HB       PHE  30   1.626  -5.813   4.888
  226    HD1  PHE  30           HD1      PHE  30   1.145  -2.367   3.452
  227    HD2  PHE  30           HD2      PHE  30  -0.403  -6.347   3.913
  228    HE1  PHE  30           HE1      PHE  30  -0.840  -1.753   2.096
  229    HE2  PHE  30           HE2      PHE  30  -2.387  -5.734   2.558
  230    HZ   PHE  30           HZ       PHE  30  -2.604  -3.440   1.649
  231    H    ARG  31           HN       ARG  31   1.137  -5.954   7.183
  232    HA   ARG  31           HA       ARG  31  -1.639  -5.417   7.617
  233   1HB   ARG  31          2HB       ARG  31  -0.654  -7.671   7.785
  234   2HB   ARG  31          1HB       ARG  31   0.283  -7.164   9.187
  235   1HG   ARG  31          2HG       ARG  31  -2.014  -6.527  10.222
  236   2HG   ARG  31          1HG       ARG  31  -2.695  -7.554   8.960
  237   1HD   ARG  31          2HD       ARG  31  -2.383  -9.088  10.697
  238   2HD   ARG  31          1HD       ARG  31  -0.894  -9.277   9.772
  239    HE   ARG  31           HE       ARG  31  -0.897  -7.356  12.036
  240   1HH1  ARG  31          1HH2      ARG  31   0.102 -10.384  10.640
  241   2HH1  ARG  31          2HH2      ARG  31   1.382 -10.613  11.779
  242   1HH2  ARG  31          1HH1      ARG  31   0.764  -7.684  13.511
  243   2HH2  ARG  31          2HH1      ARG  31   1.755  -9.100  13.394
  244    H    ALA  32           HN       ALA  32   1.257  -4.769   9.572
  245    HA   ALA  32           HA       ALA  32  -0.188  -3.792  11.872
  246   1HB   ALA  32          1HB       ALA  32   2.046  -4.447  12.284
  247   2HB   ALA  32          2HB       ALA  32   2.095  -2.685  12.363
  248   3HB   ALA  32          3HB       ALA  32   2.659  -3.519  10.915
  249    H    GLN  33           HN       GLN  33   1.238  -2.220   9.025
  250    HA   GLN  33           HA       GLN  33   0.726   0.472   9.899
  251   1HB   GLN  33          2HB       GLN  33   1.289  -0.787   7.220
  252   2HB   GLN  33          1HB       GLN  33   0.965   0.940   7.374
  253   1HG   GLN  33          2HG       GLN  33   3.003  -0.350   9.164
  254   2HG   GLN  33          1HG       GLN  33   3.440   0.074   7.509
  255   1HE2  GLN  33          1HE2      GLN  33   4.252   2.158   7.303
  256   2HE2  GLN  33          2HE2      GLN  33   3.883   3.457   8.331
  257    H    THR  34           HN       THR  34  -1.398  -1.951   8.686
  258    HA   THR  34           HA       THR  34  -3.432   0.179   8.130
  259    HB   THR  34           HB       THR  34  -4.499  -1.468   6.575
  260    HG1  THR  34           HG1      THR  34  -2.074  -2.872   7.002
  261   1HG2  THR  34          1HG2      THR  34  -1.771  -1.295   5.488
  262   2HG2  THR  34          2HG2      THR  34  -2.380   0.228   6.136
  263   3HG2  THR  34          3HG2      THR  34  -3.275  -0.612   4.870
  264    H    VAL  35           HN       VAL  35  -2.846  -1.218  10.697
  265    HA   VAL  35           HA       VAL  35  -5.060  -3.089  11.093
  266    HB   VAL  35           HB       VAL  35  -4.401  -3.008  13.478
  267   1HG1  VAL  35          1HG1      VAL  35  -1.903  -3.130  11.795
  268   2HG1  VAL  35          2HG1      VAL  35  -3.161  -4.358  11.671
  269   3HG1  VAL  35          3HG1      VAL  35  -2.321  -4.107  13.202
  270   1HG2  VAL  35          1HG2      VAL  35  -3.763  -0.747  13.834
  271   2HG2  VAL  35          2HG2      VAL  35  -2.645  -0.760  12.473
  272   3HG2  VAL  35          3HG2      VAL  35  -2.254  -1.651  13.943
  273    H    GLY  36           HN       GLY  36  -7.140  -2.402  11.298
  274   1HA   GLY  36          2HA       GLY  36  -8.958  -1.145  12.081
  275   2HA   GLY  36          1HA       GLY  36  -7.836  -0.249  13.102
  276    H    LYS  37           HN       LYS  37  -6.946  -0.316   9.774
  277    HA   LYS  37           HA       LYS  37  -8.100   2.428   9.454
  278   1HB   LYS  37          2HB       LYS  37  -5.397   1.325   8.701
  279   2HB   LYS  37          1HB       LYS  37  -6.048   2.776   7.938
  280   1HG   LYS  37          2HG       LYS  37  -6.337   3.818  10.160
  281   2HG   LYS  37          1HG       LYS  37  -5.671   2.373  10.920
  282   1HD   LYS  37          2HD       LYS  37  -3.520   2.841  10.248
  283   2HD   LYS  37          1HD       LYS  37  -4.046   3.650   8.774
  284   1HE   LYS  37          2HE       LYS  37  -3.317   5.461  10.042
  285   2HE   LYS  37          1HE       LYS  37  -5.034   5.427  10.443
  286   1HZ   LYS  37          1HE       LYS  37  -3.069   3.913  12.040
  287   2HZ   LYS  37          2HE       LYS  37  -4.623   4.439  12.483
  288   3HZ   LYS  37          3HE       LYS  37  -3.352   5.557  12.343
  289    H    ILE  38           HN       ILE  38  -8.334   3.074   7.092
  290    HA   ILE  38           HA       ILE  38  -9.750   0.952   5.661
  291    HB   ILE  38           HB       ILE  38  -9.082   3.789   4.809
  292   1HG1  ILE  38          2HG1      ILE  38 -11.605   2.661   6.066
  293   2HG1  ILE  38          1HG1      ILE  38 -10.403   3.630   6.919
  294   1HG2  ILE  38          1HG2      ILE  38 -11.482   2.361   3.802
  295   2HG2  ILE  38          2HG2      ILE  38  -9.931   1.787   3.191
  296   3HG2  ILE  38          3HG2      ILE  38 -10.397   3.471   2.965
  297   1HD1  ILE  38          1HD1      ILE  38 -12.128   4.494   4.585
  298   2HD1  ILE  38          2HD1      ILE  38 -10.773   5.441   5.196
  299   3HD1  ILE  38          3HD1      ILE  38 -12.165   5.126   6.232
  300    H    MET  39           HN       MET  39  -8.657  -0.506   4.415
  301    HA   MET  39           HA       MET  39  -6.050   0.320   3.224
  302   1HB   MET  39          2HB       MET  39  -6.256  -1.763   4.694
  303   2HB   MET  39          1HB       MET  39  -7.165  -2.485   3.366
  304   1HG   MET  39          2HG       MET  39  -5.149  -1.747   1.891
  305   2HG   MET  39          1HG       MET  39  -4.282  -1.617   3.422
  306   1HE   MET  39          1HE       MET  39  -6.126  -5.261   1.423
  307   2HE   MET  39          2HE       MET  39  -6.460  -3.549   1.175
  308   3HE   MET  39          3HE       MET  39  -7.173  -4.387   2.549
  309    H    VAL  40           HN       VAL  40  -6.291   1.087   1.179
  310    HA   VAL  40           HA       VAL  40  -8.463   0.053  -0.543
  311    HB   VAL  40           HB       VAL  40  -6.415   2.186  -1.192
  312   1HG1  VAL  40          1HG1      VAL  40  -8.288   0.954  -2.779
  313   2HG1  VAL  40          2HG1      VAL  40  -7.656   2.577  -3.051
  314   3HG1  VAL  40          3HG1      VAL  40  -9.178   2.357  -2.189
  315   1HG2  VAL  40          1HG2      VAL  40  -9.137   2.495   0.116
  316   2HG2  VAL  40          2HG2      VAL  40  -8.072   3.813  -0.373
  317   3HG2  VAL  40          3HG2      VAL  40  -7.587   2.724   0.926
  318    H    VAL  41           HN       VAL  41  -8.039  -1.705  -1.786
  319    HA   VAL  41           HA       VAL  41  -5.339  -1.926  -3.052
  320    HB   VAL  41           HB       VAL  41  -5.669  -4.457  -2.831
  321   1HG1  VAL  41          1HG1      VAL  41  -3.986  -3.595  -1.463
  322   2HG1  VAL  41          2HG1      VAL  41  -5.079  -4.309  -0.278
  323   3HG1  VAL  41          3HG1      VAL  41  -5.104  -2.571  -0.566
  324   1HG2  VAL  41          1HG2      VAL  41  -7.124  -5.116  -0.905
  325   2HG2  VAL  41          2HG2      VAL  41  -8.038  -4.459  -2.261
  326   3HG2  VAL  41          3HG2      VAL  41  -7.730  -3.463  -0.839
  327    H    GLY  42           HN       GLY  42  -5.437  -2.271  -5.245
  328   1HA   GLY  42          2HA       GLY  42  -7.852  -2.082  -6.696
  329   2HA   GLY  42          1HA       GLY  42  -6.337  -2.685  -7.365
  330    H    ARG  43           HN       ARG  43  -9.245  -3.594  -7.577
  331    HA   ARG  43           HA       ARG  43  -9.750  -6.016  -6.280
  332   1HB   ARG  43          2HB       ARG  43 -11.323  -4.811  -7.796
  333   2HB   ARG  43          1HB       ARG  43 -10.378  -5.368  -9.175
  334   1HG   ARG  43          2HG       ARG  43 -11.212  -7.478  -7.270
  335   2HG   ARG  43          1HG       ARG  43 -12.519  -6.716  -8.175
  336   1HD   ARG  43          2HD       ARG  43 -10.016  -7.856  -9.453
  337   2HD   ARG  43          1HD       ARG  43 -11.540  -8.727  -9.323
  338    HE   ARG  43           HE       ARG  43 -11.924  -6.156 -10.589
  339   1HH1  ARG  43          1HH2      ARG  43 -10.760  -9.392 -11.058
  340   2HH1  ARG  43          2HH2      ARG  43 -11.058  -9.382 -12.762
  341   1HH2  ARG  43          1HH1      ARG  43 -12.308  -6.160 -12.824
  342   2HH2  ARG  43          2HH1      ARG  43 -11.929  -7.568 -13.754
  343    H    ARG  44           HN       ARG  44  -7.258  -5.418  -8.652
  344    HA   ARG  44           HA       ARG  44  -7.127  -8.270  -9.408
  345   1HB   ARG  44          2HB       ARG  44  -5.650  -5.794 -10.189
  346   2HB   ARG  44          1HB       ARG  44  -4.952  -7.369 -10.562
  347   1HG   ARG  44          2HG       ARG  44  -7.724  -7.450 -11.253
  348   2HG   ARG  44          1HG       ARG  44  -7.047  -5.974 -11.938
  349   1HD   ARG  44          2HD       ARG  44  -5.285  -7.245 -13.046
  350   2HD   ARG  44          1HD       ARG  44  -5.839  -8.734 -12.279
  351    HE   ARG  44           HE       ARG  44  -7.968  -7.484 -13.786
  352   1HH1  ARG  44          1HH1      ARG  44  -5.080  -9.393 -14.039
  353   2HH1  ARG  44          2HH1      ARG  44  -5.574 -10.155 -15.513
  354   1HH2  ARG  44          1HH2      ARG  44  -8.600  -8.481 -15.699
  355   2HH2  ARG  44          2HH2      ARG  44  -7.556  -9.643 -16.448
  356    H    THR  45           HN       THR  45  -5.175  -5.951  -7.527
  357    HA   THR  45           HA       THR  45  -3.203  -7.929  -6.742
  358    HB   THR  45           HB       THR  45  -3.965  -5.449  -5.177
  359    HG1  THR  45           HG1      THR  45  -2.511  -5.766  -7.565
  360   1HG2  THR  45          1HG2      THR  45  -1.890  -5.651  -4.170
  361   2HG2  THR  45          2HG2      THR  45  -1.189  -6.501  -5.546
  362   3HG2  THR  45          3HG2      THR  45  -2.265  -7.353  -4.440
  363    H    TYR  46           HN       TYR  46  -6.143  -6.601  -5.232
  364    HA   TYR  46           HA       TYR  46  -6.064  -8.088  -2.809
  365   1HB   TYR  46          2HB       TYR  46  -7.689  -6.262  -3.237
  366   2HB   TYR  46          1HB       TYR  46  -8.516  -7.288  -4.408
  367    HD1  TYR  46           HD1      TYR  46  -9.856  -9.192  -3.700
  368    HD2  TYR  46           HD2      TYR  46  -7.760  -6.786  -0.830
  369    HE1  TYR  46           HE1      TYR  46 -11.158 -10.240  -1.867
  370    HE2  TYR  46           HE2      TYR  46  -9.060  -7.829   1.002
  371    HH   TYR  46           HH       TYR  46 -11.315 -10.490   0.375
  372    H    GLU  47           HN       GLU  47  -7.383  -8.928  -6.004
  373    HA   GLU  47           HA       GLU  47  -8.376 -11.519  -5.201
  374   1HB   GLU  47          2HB       GLU  47  -7.892 -10.094  -7.778
  375   2HB   GLU  47          1HB       GLU  47  -8.010 -11.853  -7.839
  376   1HG   GLU  47          HG2       GLU  47 -10.122 -11.348  -6.250
  377   2HG   GLU  47          HG1       GLU  47 -10.094  -9.838  -7.162
  378    H    SER  48           HN       SER  48  -5.237 -10.298  -5.714
  379    HA   SER  48           HA       SER  48  -4.124 -12.999  -6.288
  380   1HB   SER  48          2HB       SER  48  -2.697 -10.327  -6.163
  381   2HB   SER  48          1HB       SER  48  -2.020 -11.850  -6.733
  382    HG   SER  48           HG       SER  48  -4.024 -10.229  -7.883
  383    H    PHE  49           HN       PHE  49  -4.602 -10.733  -3.727
  384    HA   PHE  49           HA       PHE  49  -2.518 -11.080  -1.949
  385   1HB   PHE  49          2HB       PHE  49  -5.400 -10.587  -1.710
  386   2HB   PHE  49          1HB       PHE  49  -4.716 -11.376  -0.292
  387    HD1  PHE  49           HD1      PHE  49  -3.365 -10.185   1.246
  388    HD2  PHE  49           HD2      PHE  49  -4.321  -8.443  -2.557
  389    HE1  PHE  49           HE1      PHE  49  -2.430  -8.023   2.002
  390    HE2  PHE  49           HE2      PHE  49  -3.386  -6.276  -1.800
  391    HZ   PHE  49           HZ       PHE  49  -2.437  -6.067   0.481
  392    HA   PRO  50           HA       PRO  50  -2.468 -15.366  -0.708
  393   1HB   PRO  50          2HB       PRO  50  -1.223 -14.993   1.744
  394   2HB   PRO  50          1HB       PRO  50  -0.394 -15.035   0.180
  395   1HG   PRO  50          2HG       PRO  50  -0.734 -12.801   1.956
  396   2HG   PRO  50          1HG       PRO  50   0.149 -12.867   0.424
  397   1HD   PRO  50          2HD       PRO  50  -2.520 -11.788   0.972
  398   2HD   PRO  50          1HD       PRO  50  -1.471 -11.524  -0.430
  399    H    LYS  51           HN       LYS  51  -3.077 -13.381   2.230
  400    HA   LYS  51           HA       LYS  51  -5.355 -15.227   2.841
  401   1HB   LYS  51          2HB       LYS  51  -3.273 -15.387   4.330
  402   2HB   LYS  51          1HB       LYS  51  -3.703 -13.780   4.916
  403   1HG   LYS  51          2HG       LYS  51  -6.008 -14.707   5.441
  404   2HG   LYS  51          1HG       LYS  51  -5.352 -16.310   5.110
  405   1HD   LYS  51          2HD       LYS  51  -3.513 -15.732   6.807
  406   2HD   LYS  51          1HD       LYS  51  -4.536 -14.376   7.284
  407   1HE   LYS  51          2HE       LYS  51  -6.053 -15.722   8.321
  408   2HE   LYS  51          1HE       LYS  51  -5.934 -16.973   7.083
  409   1HZ   LYS  51          1HE       LYS  51  -5.044 -17.566   9.341
  410   2HZ   LYS  51          2HE       LYS  51  -3.782 -16.465   9.054
  411   3HZ   LYS  51          3HE       LYS  51  -3.979 -17.817   8.044
  412    H    ARG  52           HN       ARG  52  -7.030 -13.909   2.092
  413    HA   ARG  52           HA       ARG  52  -7.316 -11.291   3.510
  414   1HB   ARG  52          2HB       ARG  52  -8.878 -11.233   1.123
  415   2HB   ARG  52          1HB       ARG  52  -7.487 -10.233   1.529
  416   1HG   ARG  52          2HG       ARG  52  -6.847 -11.277  -0.484
  417   2HG   ARG  52          1HG       ARG  52  -6.065 -12.262   0.751
  418   1HD   ARG  52          2HD       ARG  52  -7.073 -13.988  -0.339
  419   2HD   ARG  52          1HD       ARG  52  -8.491 -13.496   0.582
  420    HE   ARG  52           HE       ARG  52  -9.126 -12.105  -1.438
  421   1HH1  ARG  52          1HH1      ARG  52  -6.918 -14.782  -1.751
  422   2HH1  ARG  52          2HH1      ARG  52  -7.267 -15.012  -3.428
  423   1HH2  ARG  52          1HH2      ARG  52  -9.557 -12.428  -3.612
  424   2HH2  ARG  52          2HH2      ARG  52  -8.747 -13.693  -4.475
  425    HA   PRO  53           HA       PRO  53  -8.771  -9.792   3.758
  426   1HB   PRO  53          2HB       PRO  53 -10.408  -9.133   5.925
  427   2HB   PRO  53          1HB       PRO  53 -10.759  -8.797   4.224
  428   1HG   PRO  53          2HG       PRO  53 -12.102 -10.617   5.977
  429   2HG   PRO  53          1HG       PRO  53 -12.453 -10.274   4.277
  430   1HD   PRO  53          2HD       PRO  53 -11.054 -12.570   5.446
  431   2HD   PRO  53          1HD       PRO  53 -11.743 -12.382   3.825
  432    H    LEU  54           HN       LEU  54  -7.867  -8.604   5.734
  433    HA   LEU  54           HA       LEU  54  -6.206 -10.449   7.257
  434   1HB   LEU  54          2HB       LEU  54  -6.533  -7.439   7.368
  435   2HB   LEU  54          1HB       LEU  54  -5.354  -8.332   8.329
  436    HG   LEU  54           HG       LEU  54  -5.424  -8.859   5.392
  437   1HD1  LEU  54          1HD1      LEU  54  -3.650  -6.639   6.153
  438   2HD1  LEU  54          2HD1      LEU  54  -5.364  -6.230   6.239
  439   3HD1  LEU  54          3HD1      LEU  54  -4.674  -6.823   4.729
  440   1HD2  LEU  54          1HD2      LEU  54  -2.876  -8.772   5.945
  441   2HD2  LEU  54          2HD2      LEU  54  -3.820 -10.130   6.558
  442   3HD2  LEU  54          3HD2      LEU  54  -3.403  -8.792   7.627
  443    HA   PRO  55           HA       PRO  55  -8.551 -11.009  10.945
  444   1HB   PRO  55          2HB       PRO  55  -6.358 -10.675  12.744
  445   2HB   PRO  55          1HB       PRO  55  -7.046 -12.186  12.140
  446   1HG   PRO  55          2HG       PRO  55  -4.532 -11.019  11.485
  447   2HG   PRO  55          1HG       PRO  55  -5.238 -12.514  10.858
  448   1HD   PRO  55          2HD       PRO  55  -4.921  -9.987   9.512
  449   2HD   PRO  55          1HD       PRO  55  -5.536 -11.513   8.862
  450    H    GLU  56           HN       GLU  56  -9.868  -9.462  11.750
  451    HA   GLU  56           HA       GLU  56 -10.601  -7.415  12.648
  452   1HB   GLU  56          2HB       GLU  56  -7.971  -7.810  14.097
  453   2HB   GLU  56          1HB       GLU  56  -9.154  -6.577  14.534
  454   1HG   GLU  56          HG2       GLU  56 -10.030  -8.192  15.872
  455   2HG   GLU  56          HG1       GLU  56 -10.734  -8.813  14.379
  456    H    ARG  57           HN       ARG  57  -9.573  -6.989  10.160
  457    HA   ARG  57           HA       ARG  57  -8.269  -4.332  10.490
  458   1HB   ARG  57          2HB       ARG  57  -7.261  -6.665   8.930
  459   2HB   ARG  57          1HB       ARG  57  -7.093  -5.068   8.201
  460   1HG   ARG  57          2HG       ARG  57  -5.268  -4.747   9.476
  461   2HG   ARG  57          1HG       ARG  57  -6.320  -4.747  10.890
  462   1HD   ARG  57          2HD       ARG  57  -6.062  -7.444  10.310
  463   2HD   ARG  57          1HD       ARG  57  -4.458  -6.806   9.956
  464    HE   ARG  57           HE       ARG  57  -5.291  -5.726  12.448
  465   1HH1  ARG  57          1HH2      ARG  57  -4.461  -8.762  10.990
  466   2HH1  ARG  57          2HH2      ARG  57  -3.835  -9.428  12.459
  467   1HH2  ARG  57          1HH1      ARG  57  -4.482  -6.603  14.351
  468   2HH2  ARG  57          2HH1      ARG  57  -3.846  -8.213  14.352
  469    H    THR  58           HN       THR  58  -9.216  -2.784   9.218
  470    HA   THR  58           HA       THR  58 -11.539  -3.551   7.613
  471    HB   THR  58           HB       THR  58 -10.282  -0.804   7.844
  472    HG1  THR  58           HG1      THR  58 -10.721  -1.692   9.903
  473   1HG2  THR  58          1HG2      THR  58 -13.203  -1.448   7.562
  474   2HG2  THR  58          2HG2      THR  58 -12.161  -1.463   6.139
  475   3HG2  THR  58          3HG2      THR  58 -12.336   0.013   7.088
  476    H    ASN  59           HN       ASN  59 -11.346  -4.168   5.528
  477    HA   ASN  59           HA       ASN  59  -9.084  -3.038   3.922
  478   1HB   ASN  59          2HB       ASN  59 -10.409  -5.716   3.438
  479   2HB   ASN  59          1HB       ASN  59  -8.890  -5.125   2.770
  480   1HD2  ASN  59          1HD2      ASN  59  -7.894  -4.014   5.326
  481   2HD2  ASN  59          2HD2      ASN  59  -7.507  -5.342   6.309
  482    H    VAL  60           HN       VAL  60  -9.663  -2.110   1.939
  483    HA   VAL  60           HA       VAL  60 -12.527  -2.402   1.131
  484    HB   VAL  60           HB       VAL  60 -10.787   0.062   0.798
  485   1HG1  VAL  60          1HG1      VAL  60 -12.737   1.130  -0.004
  486   2HG1  VAL  60          2HG1      VAL  60 -13.791  -0.137   0.623
  487   3HG1  VAL  60          3HG1      VAL  60 -12.773  -0.453  -0.780
  488   1HG2  VAL  60          1HG2      VAL  60 -11.156   0.300   3.035
  489   2HG2  VAL  60          2HG2      VAL  60 -12.444  -0.903   3.048
  490   3HG2  VAL  60          3HG2      VAL  60 -12.787   0.751   2.542
  491    H    VAL  61           HN       VAL  61 -12.810  -2.982  -1.012
  492    HA   VAL  61           HA       VAL  61 -10.333  -3.191  -2.667
  493    HB   VAL  61           HB       VAL  61 -12.982  -4.577  -3.143
  494   1HG1  VAL  61          1HG1      VAL  61 -11.359  -4.431  -5.030
  495   2HG1  VAL  61          2HG1      VAL  61 -11.623  -6.090  -4.493
  496   3HG1  VAL  61          3HG1      VAL  61 -10.155  -5.235  -4.022
  497   1HG2  VAL  61          1HG2      VAL  61 -12.483  -5.588  -1.138
  498   2HG2  VAL  61          2HG2      VAL  61 -10.768  -5.189  -1.245
  499   3HG2  VAL  61          3HG2      VAL  61 -11.418  -6.543  -2.170
  500    H    LEU  62           HN       LEU  62 -10.457  -2.566  -4.918
  501    HA   LEU  62           HA       LEU  62 -12.723  -0.694  -5.510
  502   1HB   LEU  62          2HB       LEU  62  -9.813  -0.310  -5.664
  503   2HB   LEU  62          1HB       LEU  62 -10.646   0.112  -7.161
  504    HG   LEU  62           HG       LEU  62 -12.307   1.395  -5.653
  505   1HD1  LEU  62          1HD1      LEU  62 -10.079   1.711  -3.727
  506   2HD1  LEU  62          2HD1      LEU  62 -10.965   0.193  -3.631
  507   3HD1  LEU  62          3HD1      LEU  62 -11.814   1.726  -3.442
  508   1HD2  LEU  62          1HD2      LEU  62 -11.089   2.946  -6.807
  509   2HD2  LEU  62          2HD2      LEU  62  -9.563   2.114  -6.501
  510   3HD2  LEU  62          3HD2      LEU  62 -10.253   3.172  -5.271
  511    H    THR  63           HN       THR  63 -13.910  -1.308  -7.263
  512    HA   THR  63           HA       THR  63 -12.599  -2.817  -9.454
  513    HB   THR  63           HB       THR  63 -13.381  -4.632  -8.091
  514    HG1  THR  63           HG1      THR  63 -14.132  -4.430 -10.404
  515   1HG2  THR  63          1HG2      THR  63 -15.337  -2.700  -7.276
  516   2HG2  THR  63          2HG2      THR  63 -14.978  -4.266  -6.552
  517   3HG2  THR  63          3HG2      THR  63 -16.173  -4.145  -7.843
  518    H    HIS  64           HN       HIS  64 -13.910  -2.805 -11.422
  519    HA   HIS  64           HA       HIS  64 -15.723  -0.459 -11.517
  520   1HB   HIS  64          2HB       HIS  64 -13.993  -1.885 -13.443
  521   2HB   HIS  64          1HB       HIS  64 -15.539  -1.351 -14.099
  522    HD1  HIS  64           HD1      HIS  64 -16.061   1.245 -13.942
  523    HD2  HIS  64           HD2      HIS  64 -12.157   0.181 -12.938
  524    HE1  HIS  64           HE1      HIS  64 -14.708   3.385 -13.961
  525    H    GLN  65           HN       GLN  65 -16.218  -3.545 -10.713
  526    HA   GLN  65           HA       GLN  65 -18.466  -4.109 -12.541
  527   1HB   GLN  65          2HB       GLN  65 -17.119  -5.603 -10.296
  528   2HB   GLN  65          1HB       GLN  65 -18.696  -6.119 -10.896
  529   1HG   GLN  65          2HG       GLN  65 -17.125  -7.358 -12.177
  530   2HG   GLN  65          1HG       GLN  65 -17.643  -6.049 -13.240
  531   1HE2  GLN  65          1HE2      GLN  65 -15.023  -6.926 -10.939
  532   2HE2  GLN  65          2HE2      GLN  65 -13.839  -5.964 -11.685
  533    H    GLU  66           HN       GLU  66 -20.543  -4.907 -11.304
  534    HA   GLU  66           HA       GLU  66 -21.138  -2.911  -9.156
  535   1HB   GLU  66          2HB       GLU  66 -22.262  -2.882 -11.609
  536   2HB   GLU  66          1HB       GLU  66 -23.366  -3.993 -10.798
  537   1HG   GLU  66          HG2       GLU  66 -24.233  -2.362  -9.472
  538   2HG   GLU  66          HG1       GLU  66 -22.661  -1.603  -9.217
  539    H    ASP  67           HN       ASP  67 -20.990  -6.229  -9.951
  540    HA   ASP  67           HA       ASP  67 -22.810  -6.890  -7.674
  541   1HB   ASP  67          2HB       ASP  67 -23.120  -7.820 -10.140
  542   2HB   ASP  67          1HB       ASP  67 -21.883  -8.965  -9.622
  543    H    TYR  68           HN       TYR  68 -19.900  -6.106  -7.545
  544    HA   TYR  68           HA       TYR  68 -18.283  -8.413  -7.061
  545   1HB   TYR  68          2HB       TYR  68 -17.658  -5.848  -7.166
  546   2HB   TYR  68          1HB       TYR  68 -17.940  -5.916  -5.426
  547    HD1  TYR  68           HD1      TYR  68 -16.164  -7.798  -8.142
  548    HD2  TYR  68           HD2      TYR  68 -16.195  -6.587  -4.022
  549    HE1  TYR  68           HE1      TYR  68 -13.939  -8.843  -7.819
  550    HE2  TYR  68           HE2      TYR  68 -13.969  -7.631  -3.699
  551    HH   TYR  68           HH       TYR  68 -12.700  -9.729  -5.120
  552    H    GLN  69           HN       GLN  69 -18.667  -9.967  -5.551
  553    HA   GLN  69           HA       GLN  69 -20.247  -9.226  -3.137
  554   1HB   GLN  69          2HB       GLN  69 -19.675 -11.863  -4.501
  555   2HB   GLN  69          1HB       GLN  69 -20.384 -11.774  -2.887
  556   1HG   GLN  69          2HG       GLN  69 -21.595 -10.133  -5.084
  557   2HG   GLN  69          1HG       GLN  69 -21.942 -11.862  -5.024
  558   1HE2  GLN  69          1HE2      GLN  69 -22.549  -8.783  -3.459
  559   2HE2  GLN  69          2HE2      GLN  69 -23.623  -9.373  -2.284
  560    H    ALA  70           HN       ALA  70 -18.809  -8.518  -1.596
  561    HA   ALA  70           HA       ALA  70 -16.689 -10.446  -0.786
  562   1HB   ALA  70          1HB       ALA  70 -16.330  -7.643  -1.697
  563   2HB   ALA  70          2HB       ALA  70 -15.199  -8.995  -1.744
  564   3HB   ALA  70          3HB       ALA  70 -15.440  -8.100  -0.244
  565    H    GLN  71           HN       GLN  71 -18.379 -10.895   0.863
  566    HA   GLN  71           HA       GLN  71 -19.194  -8.838   2.727
  567   1HB   GLN  71          2HB       GLN  71 -19.175 -11.859   3.006
  568   2HB   GLN  71          1HB       GLN  71 -19.984 -10.746   4.110
  569   1HG   GLN  71          2HG       GLN  71 -21.438  -9.954   2.335
  570   2HG   GLN  71          1HG       GLN  71 -20.559 -10.907   1.139
  571   1HE2  GLN  71          1HE2      GLN  71 -23.446 -10.993   2.529
  572   2HE2  GLN  71          2HE2      GLN  71 -23.647 -12.656   2.799
  573    H    GLY  72           HN       GLY  72 -18.176  -8.162   4.575
  574   1HA   GLY  72          2HA       GLY  72 -16.715  -8.606   6.502
  575   2HA   GLY  72          1HA       GLY  72 -15.771  -9.686   5.472
  576    H    ALA  73           HN       ALA  73 -15.615  -7.995   3.169
  577    HA   ALA  73           HA       ALA  73 -13.847  -5.848   4.252
  578   1HB   ALA  73          1HB       ALA  73 -12.410  -6.165   2.428
  579   2HB   ALA  73          2HB       ALA  73 -13.665  -6.923   1.447
  580   3HB   ALA  73          3HB       ALA  73 -12.932  -7.812   2.782
  581    H    VAL  74           HN       VAL  74 -14.105  -3.795   3.488
  582    HA   VAL  74           HA       VAL  74 -16.650  -2.949   2.508
  583    HB   VAL  74           HB       VAL  74 -14.077  -1.400   2.141
  584   1HG1  VAL  74          1HG1      VAL  74 -15.665  -0.025   1.234
  585   2HG1  VAL  74          2HG1      VAL  74 -15.985   0.362   2.924
  586   3HG1  VAL  74          3HG1      VAL  74 -16.987  -0.823   2.086
  587   1HG2  VAL  74          1HG2      VAL  74 -14.650  -0.480   4.449
  588   2HG2  VAL  74          2HG2      VAL  74 -14.039  -2.133   4.429
  589   3HG2  VAL  74          3HG2      VAL  74 -15.767  -1.834   4.617
  590    H    VAL  75           HN       VAL  75 -17.131  -1.959   0.357
  591    HA   VAL  75           HA       VAL  75 -15.343  -2.830  -1.845
  592    HB   VAL  75           HB       VAL  75 -18.313  -3.463  -1.760
  593   1HG1  VAL  75          1HG1      VAL  75 -16.307  -4.526  -3.736
  594   2HG1  VAL  75          2HG1      VAL  75 -17.039  -2.941  -3.988
  595   3HG1  VAL  75          3HG1      VAL  75 -18.057  -4.379  -3.903
  596   1HG2  VAL  75          1HG2      VAL  75 -15.889  -4.999  -0.998
  597   2HG2  VAL  75          2HG2      VAL  75 -17.062  -5.859  -1.994
  598   3HG2  VAL  75          3HG2      VAL  75 -17.553  -5.178  -0.443
  599    H    VAL  76           HN       VAL  76 -15.191  -1.183  -3.323
  600    HA   VAL  76           HA       VAL  76 -17.482   0.678  -3.651
  601    HB   VAL  76           HB       VAL  76 -15.884   2.624  -3.553
  602   1HG1  VAL  76          1HG1      VAL  76 -17.159   2.493  -1.613
  603   2HG1  VAL  76          2HG1      VAL  76 -15.532   2.338  -0.951
  604   3HG1  VAL  76          3HG1      VAL  76 -16.530   0.905  -1.181
  605   1HG2  VAL  76          1HG2      VAL  76 -13.880   1.493  -1.896
  606   2HG2  VAL  76          2HG2      VAL  76 -13.682   2.171  -3.511
  607   3HG2  VAL  76          3HG2      VAL  76 -14.003   0.449  -3.312
  608    H    HIS  77           HN       HIS  77 -17.164   2.049  -5.645
  609    HA   HIS  77           HA       HIS  77 -15.196   0.879  -7.557
  610   1HB   HIS  77          2HB       HIS  77 -18.013   1.512  -8.426
  611   2HB   HIS  77          1HB       HIS  77 -16.815   0.497  -9.226
  612    HD1  HIS  77           HD1      HIS  77 -16.666  -1.952  -8.512
  613    HD2  HIS  77           HD2      HIS  77 -19.281   0.265  -6.140
  614    HE1  HIS  77           HE1      HIS  77 -17.909  -3.618  -7.064
  615    H    ASP  78           HN       ASP  78 -15.307   3.443  -6.067
  616    HA   ASP  78           HA       ASP  78 -14.715   5.202  -8.288
  617   1HB   ASP  78          2HB       ASP  78 -17.414   5.224  -7.146
  618   2HB   ASP  78          1HB       ASP  78 -16.631   6.803  -7.072
  619    H    VAL  79           HN       VAL  79 -12.911   6.110  -7.431
  620    HA   VAL  79           HA       VAL  79 -12.019   6.262  -4.848
  621    HB   VAL  79           HB       VAL  79 -11.773   8.456  -6.928
  622   1HG1  VAL  79          1HG1      VAL  79 -10.508   9.600  -5.461
  623   2HG1  VAL  79          2HG1      VAL  79  -9.506   8.180  -5.171
  624   3HG1  VAL  79          3HG1      VAL  79 -10.961   8.443  -4.211
  625   1HG2  VAL  79          1HG2      VAL  79 -10.522   6.933  -8.024
  626   2HG2  VAL  79          2HG2      VAL  79 -10.695   5.772  -6.708
  627   3HG2  VAL  79          3HG2      VAL  79  -9.393   6.962  -6.670
  628    H    ALA  80           HN       ALA  80 -14.478   8.368  -6.266
  629    HA   ALA  80           HA       ALA  80 -14.595  10.362  -4.256
  630   1HB   ALA  80          1HB       ALA  80 -17.234   9.552  -5.228
  631   2HB   ALA  80          2HB       ALA  80 -16.061   9.735  -6.532
  632   3HB   ALA  80          3HB       ALA  80 -16.382  11.081  -5.440
  633    H    ALA  81           HN       ALA  81 -16.172   7.173  -4.403
  634    HA   ALA  81           HA       ALA  81 -17.634   7.468  -1.942
  635   1HB   ALA  81          1HB       ALA  81 -17.143   5.383  -3.909
  636   2HB   ALA  81          2HB       ALA  81 -18.524   5.595  -2.833
  637   3HB   ALA  81          3HB       ALA  81 -17.091   4.733  -2.271
  638    H    VAL  82           HN       VAL  82 -14.499   5.926  -2.710
  639    HA   VAL  82           HA       VAL  82 -13.853   4.966  -0.143
  640    HB   VAL  82           HB       VAL  82 -11.812   6.263  -1.961
  641   1HG1  VAL  82          1HG1      VAL  82 -10.337   4.587  -1.078
  642   2HG1  VAL  82          2HG1      VAL  82 -11.675   3.717  -0.328
  643   3HG1  VAL  82          3HG1      VAL  82 -11.185   5.289   0.295
  644   1HG2  VAL  82          1HG2      VAL  82 -13.001   4.968  -3.522
  645   2HG2  VAL  82          2HG2      VAL  82 -13.393   3.725  -2.334
  646   3HG2  VAL  82          3HG2      VAL  82 -11.751   3.856  -2.965
  647    H    PHE  83           HN       PHE  83 -13.264   8.205  -1.518
  648    HA   PHE  83           HA       PHE  83 -11.915   9.322   0.717
  649   1HB   PHE  83          2HB       PHE  83 -13.483  10.403  -1.583
  650   2HB   PHE  83          1HB       PHE  83 -13.168  11.490  -0.232
  651    HD1  PHE  83           HD1      PHE  83 -11.890  10.301  -3.282
  652    HD2  PHE  83           HD2      PHE  83 -10.654  11.372   0.688
  653    HE1  PHE  83           HE1      PHE  83  -9.577  10.666  -4.099
  654    HE2  PHE  83           HE2      PHE  83  -8.343  11.735  -0.129
  655    HZ   PHE  83           HZ       PHE  83  -7.804  11.382  -2.522
  656    H    ALA  84           HN       ALA  84 -15.386   9.018   0.019
  657    HA   ALA  84           HA       ALA  84 -16.383  10.620   2.133
  658   1HB   ALA  84          1HB       ALA  84 -18.280   8.712   2.015
  659   2HB   ALA  84          2HB       ALA  84 -17.434   8.356   0.509
  660   3HB   ALA  84          3HB       ALA  84 -18.116   9.960   0.779
  661    H    TYR  85           HN       TYR  85 -16.012   7.049   2.154
  662    HA   TYR  85           HA       TYR  85 -16.640   6.471   4.765
  663   1HB   TYR  85          2HB       TYR  85 -15.596   5.013   2.795
  664   2HB   TYR  85          1HB       TYR  85 -14.122   5.242   3.735
  665    HD1  TYR  85           HD1      TYR  85 -17.734   4.330   4.214
  666    HD2  TYR  85           HD2      TYR  85 -13.676   3.776   5.489
  667    HE1  TYR  85           HE1      TYR  85 -18.471   2.577   5.808
  668    HE2  TYR  85           HE2      TYR  85 -14.404   2.030   7.080
  669    HH   TYR  85           HH       TYR  85 -17.669   1.540   7.897
  670    H    ALA  86           HN       ALA  86 -13.286   7.336   3.759
  671    HA   ALA  86           HA       ALA  86 -12.183   7.433   6.362
  672   1HB   ALA  86          1HB       ALA  86 -10.589   7.626   4.672
  673   2HB   ALA  86          2HB       ALA  86 -10.674   9.282   5.266
  674   3HB   ALA  86          3HB       ALA  86 -11.524   8.831   3.789
  675    H    LYS  87           HN       LYS  87 -13.766  10.031   4.507
  676    HA   LYS  87           HA       LYS  87 -13.443  12.066   6.497
  677   1HB   LYS  87          2HB       LYS  87 -14.395  12.037   3.950
  678   2HB   LYS  87          1HB       LYS  87 -15.909  12.125   4.848
  679   1HG   LYS  87          2HG       LYS  87 -15.559  14.332   5.113
  680   2HG   LYS  87          1HG       LYS  87 -14.165  13.942   6.121
  681   1HD   LYS  87          2HD       LYS  87 -13.037  15.125   4.519
  682   2HD   LYS  87          1HD       LYS  87 -13.072  13.579   3.670
  683   1HE   LYS  87          2HE       LYS  87 -15.479  15.278   3.334
  684   2HE   LYS  87          1HE       LYS  87 -14.002  15.891   2.591
  685   1HZ   LYS  87          1HE       LYS  87 -14.968  14.528   0.982
  686   2HZ   LYS  87          2HE       LYS  87 -15.370  13.316   2.103
  687   3HZ   LYS  87          3HE       LYS  87 -13.749  13.563   1.659
  688    H    GLN  88           HN       GLN  88 -15.676   9.408   6.157
  689    HA   GLN  88           HA       GLN  88 -17.422  10.484   8.290
  690   1HB   GLN  88          2HB       GLN  88 -17.835   8.820   6.042
  691   2HB   GLN  88          1HB       GLN  88 -18.112   7.807   7.459
  692   1HG   GLN  88          2HG       GLN  88 -20.195   8.736   7.402
  693   2HG   GLN  88          1HG       GLN  88 -19.401  10.083   8.218
  694   1HE2  GLN  88          1HE2      GLN  88 -20.090   8.897   4.880
  695   2HE2  GLN  88          2HE2      GLN  88 -20.266  10.447   4.210
  696    H    HIS  89           HN       HIS  89 -14.535   8.812   8.310
  697    HA   HIS  89           HA       HIS  89 -15.374   7.250  10.716
  698   1HB   HIS  89          2HB       HIS  89 -13.569   6.635   8.447
  699   2HB   HIS  89          1HB       HIS  89 -12.982   6.156  10.041
  700    HD1  HIS  89           HD1      HIS  89 -14.340   4.361  11.334
  701    HD2  HIS  89           HD2      HIS  89 -15.887   5.233   7.562
  702    HE1  HIS  89           HE1      HIS  89 -16.050   2.563  10.829
  703    HA   PRO  90           HA       PRO  90 -12.617  10.284  12.669
  704   1HB   PRO  90          2HB       PRO  90 -13.660   9.743  15.202
  705   2HB   PRO  90          1HB       PRO  90 -14.227  11.004  14.099
  706   1HG   PRO  90          2HG       PRO  90 -15.587   8.614  14.913
  707   2HG   PRO  90          1HG       PRO  90 -16.169   9.903  13.851
  708   1HD   PRO  90          2HD       PRO  90 -15.165   7.254  13.141
  709   2HD   PRO  90          1HD       PRO  90 -16.033   8.428  12.138
  710    H    ASP  91           HN       ASP  91 -12.615   6.979  12.688
  711    HA   ASP  91           HA       ASP  91 -10.155   6.904  14.350
  712   1HB   ASP  91          2HB       ASP  91 -12.479   6.000  15.430
  713   2HB   ASP  91          1HB       ASP  91 -11.927   4.539  14.610
  714    H    GLN  92           HN       GLN  92 -11.340   6.560  11.428
  715    HA   GLN  92           HA       GLN  92  -9.423   4.435  10.672
  716   1HB   GLN  92          2HB       GLN  92 -12.054   3.761  10.916
  717   2HB   GLN  92          1HB       GLN  92 -12.040   4.362   9.258
  718   1HG   GLN  92          2HG       GLN  92 -10.741   2.640   8.503
  719   2HG   GLN  92          1HG       GLN  92  -9.810   2.559   9.994
  720   1HE2  GLN  92          1HE2      GLN  92 -12.914   1.586   8.526
  721   2HE2  GLN  92          2HE2      GLN  92 -13.238   0.346   9.639
  722    H    GLU  93           HN       GLU  93  -8.115   5.958   9.527
  723    HA   GLU  93           HA       GLU  93  -9.417   7.949   7.829
  724   1HB   GLU  93          2HB       GLU  93  -6.611   7.297   8.655
  725   2HB   GLU  93          1HB       GLU  93  -6.858   8.273   7.208
  726   1HG   GLU  93          HG2       GLU  93  -8.093   9.931   8.436
  727   2HG   GLU  93          HG1       GLU  93  -8.155   8.903   9.868
  728    H    LEU  94           HN       LEU  94  -7.671   8.006   5.666
  729    HA   LEU  94           HA       LEU  94  -8.561   5.586   4.179
  730   1HB   LEU  94          2HB       LEU  94  -8.816   8.230   3.539
  731   2HB   LEU  94          1HB       LEU  94  -7.323   7.826   2.700
  732    HG   LEU  94           HG       LEU  94  -8.611   5.755   1.828
  733   1HD1  LEU  94          1HD1      LEU  94 -10.956   7.556   2.480
  734   2HD1  LEU  94          2HD1      LEU  94 -10.516   6.156   3.454
  735   3HD1  LEU  94          3HD1      LEU  94 -11.010   5.942   1.782
  736   1HD2  LEU  94          1HD2      LEU  94  -7.942   7.684   0.436
  737   2HD2  LEU  94          2HD2      LEU  94  -9.388   8.554   0.949
  738   3HD2  LEU  94          3HD2      LEU  94  -9.538   7.096  -0.033
  739    H    VAL  95           HN       VAL  95  -7.003   4.025   4.099
  740    HA   VAL  95           HA       VAL  95  -4.163   4.927   3.803
  741    HB   VAL  95           HB       VAL  95  -5.161   2.282   4.909
  742   1HG1  VAL  95          1HG1      VAL  95  -2.600   3.185   3.921
  743   2HG1  VAL  95          2HG1      VAL  95  -3.055   1.591   4.522
  744   3HG1  VAL  95          3HG1      VAL  95  -2.489   2.828   5.644
  745   1HG2  VAL  95          1HG2      VAL  95  -4.049   4.756   6.259
  746   2HG2  VAL  95          2HG2      VAL  95  -4.228   3.193   7.055
  747   3HG2  VAL  95          3HG2      VAL  95  -5.653   4.057   6.483
  748    H    ILE  96           HN       ILE  96  -3.308   4.511   1.849
  749    HA   ILE  96           HA       ILE  96  -4.801   2.798  -0.022
  750    HB   ILE  96           HB       ILE  96  -2.236   4.324  -0.526
  751   1HG1  ILE  96          2HG1      ILE  96  -4.005   5.823   0.370
  752   2HG1  ILE  96          1HG1      ILE  96  -3.667   6.155  -1.325
  753   1HG2  ILE  96          1HG2      ILE  96  -2.484   3.086  -2.433
  754   2HG2  ILE  96          2HG2      ILE  96  -3.653   4.341  -2.838
  755   3HG2  ILE  96          3HG2      ILE  96  -4.202   2.810  -2.154
  756   1HD1  ILE  96          1HD1      ILE  96  -5.619   4.903  -2.023
  757   2HD1  ILE  96          2HD1      ILE  96  -6.116   6.068  -0.794
  758   3HD1  ILE  96          3HD1      ILE  96  -5.916   4.368  -0.369
  759    H    ALA  97           HN       ALA  97  -3.900   0.981  -1.054
  760    HA   ALA  97           HA       ALA  97  -1.377  -0.075   0.130
  761   1HB   ALA  97          1HB       ALA  97  -2.866  -2.337  -0.426
  762   2HB   ALA  97          2HB       ALA  97  -4.075  -1.224   0.216
  763   3HB   ALA  97          3HB       ALA  97  -2.652  -1.627   1.174
  764    H    GLY  98           HN       GLY  98  -2.880   0.981  -2.579
  765   1HA   GLY  98          2HA       GLY  98  -1.873   0.938  -4.739
  766   2HA   GLY  98          1HA       GLY  98  -1.033  -0.545  -4.300
  767    H    GLY  99           HN       GLY  99  -3.392  -2.038  -6.536
  768   1HA   GLY  99          2HA       GLY  99  -0.635  -1.662  -5.769
  769   2HA   GLY  99          1HA       GLY  99  -1.194  -2.168  -7.352
  770    H    ALA 100           HN       ALA 100   0.086  -0.847  -8.606
  771    HA   ALA 100           HA       ALA 100   0.715   1.885  -8.059
  772   1HB   ALA 100          1HB       ALA 100   0.914   0.067 -10.401
  773   2HB   ALA 100          2HB       ALA 100   2.142   1.098  -9.668
  774   3HB   ALA 100          3HB       ALA 100   0.935   1.796 -10.749
  775    H    GLN 101           HN       GLN 101  -1.952   0.402  -9.860
  776    HA   GLN 101           HA       GLN 101  -2.970   2.753 -11.065
  777   1HB   GLN 101          2HB       GLN 101  -3.811   0.069 -10.774
  778   2HB   GLN 101          1HB       GLN 101  -5.139   1.064 -10.177
  779   1HG   GLN 101          2HG       GLN 101  -5.404   2.173 -12.224
  780   2HG   GLN 101          1HG       GLN 101  -3.769   1.780 -12.757
  781   1HE2  GLN 101          1HE2      GLN 101  -6.883   1.019 -13.467
  782   2HE2  GLN 101          2HE2      GLN 101  -6.693  -0.592 -13.967
  783    H    ILE 102           HN       ILE 102  -3.571   1.433  -7.771
  784    HA   ILE 102           HA       ILE 102  -5.482   3.509  -7.141
  785    HB   ILE 102           HB       ILE 102  -3.882   1.786  -5.230
  786   1HG1  ILE 102          2HG1      ILE 102  -4.972   0.336  -6.863
  787   2HG1  ILE 102          1HG1      ILE 102  -5.858   0.251  -5.342
  788   1HG2  ILE 102          1HG2      ILE 102  -5.057   3.587  -4.117
  789   2HG2  ILE 102          2HG2      ILE 102  -5.940   2.089  -3.824
  790   3HG2  ILE 102          3HG2      ILE 102  -6.531   3.241  -5.021
  791   1HD1  ILE 102          1HD1      ILE 102  -6.610   1.870  -7.789
  792   2HD1  ILE 102          2HD1      ILE 102  -7.439   1.985  -6.237
  793   3HD1  ILE 102          3HD1      ILE 102  -7.467   0.471  -7.142
  794    H    PHE 103           HN       PHE 103  -1.966   3.271  -6.948
  795    HA   PHE 103           HA       PHE 103  -1.683   5.445  -5.050
  796   1HB   PHE 103          2HB       PHE 103   0.235   4.164  -7.015
  797   2HB   PHE 103          1HB       PHE 103   0.705   5.464  -5.922
  798    HD1  PHE 103           HD1      PHE 103   1.322   2.246  -6.204
  799    HD2  PHE 103           HD2      PHE 103  -0.798   4.790  -3.466
  800    HE1  PHE 103           HE1      PHE 103   1.671   0.589  -4.392
  801    HE2  PHE 103           HE2      PHE 103  -0.450   3.131  -1.657
  802    HZ   PHE 103           HZ       PHE 103   0.784   1.032  -2.119
  803    H    THR 104           HN       THR 104  -2.240   5.230  -8.469
  804    HA   THR 104           HA       THR 104  -1.227   7.906  -9.063
  805    HB   THR 104           HB       THR 104  -3.154   6.427 -10.830
  806    HG1  THR 104           HG1      THR 104  -0.427   5.834 -10.353
  807   1HG2  THR 104          1HG2      THR 104  -1.006   8.472 -11.071
  808   2HG2  THR 104          2HG2      THR 104  -2.539   8.344 -11.933
  809   3HG2  THR 104          3HG2      THR 104  -1.175   7.331 -12.406
  810    H    ALA 105           HN       ALA 105  -4.516   6.462  -8.886
  811    HA   ALA 105           HA       ALA 105  -5.890   8.927  -9.329
  812   1HB   ALA 105          1HB       ALA 105  -6.583   6.229  -8.721
  813   2HB   ALA 105          2HB       ALA 105  -7.638   7.517  -9.304
  814   3HB   ALA 105          3HB       ALA 105  -7.426   7.267  -7.571
  815    H    PHE 106           HN       PHE 106  -4.458   7.558  -6.429
  816    HA   PHE 106           HA       PHE 106  -5.697   9.698  -4.777
  817   1HB   PHE 106          2HB       PHE 106  -4.189   7.168  -4.120
  818   2HB   PHE 106          1HB       PHE 106  -4.533   8.391  -2.899
  819    HD1  PHE 106           HD1      PHE 106  -6.859   8.917  -2.261
  820    HD2  PHE 106           HD2      PHE 106  -5.953   5.791  -5.057
  821    HE1  PHE 106           HE1      PHE 106  -9.140   7.994  -1.971
  822    HE2  PHE 106           HE2      PHE 106  -8.235   4.869  -4.771
  823    HZ   PHE 106           HZ       PHE 106  -9.828   5.970  -3.226
  824    H    LYS 107           HN       LYS 107  -2.887   9.284  -6.563
  825    HA   LYS 107           HA       LYS 107  -0.893  10.252  -4.780
  826   1HB   LYS 107          2HB       LYS 107   0.443  10.823  -6.706
  827   2HB   LYS 107          1HB       LYS 107  -0.393   9.316  -7.042
  828   1HG   LYS 107          2HG       LYS 107  -1.389  10.212  -8.844
  829   2HG   LYS 107          1HG       LYS 107  -2.024  11.546  -7.886
  830   1HD   LYS 107          2HD       LYS 107  -0.047  12.845  -8.204
  831   2HD   LYS 107          1HD       LYS 107   0.844  11.459  -8.830
  832   1HE   LYS 107          2HE       LYS 107   0.248  12.123 -10.899
  833   2HE   LYS 107          1HE       LYS 107  -1.403  11.659 -10.493
  834   1HZ   LYS 107          1HE       LYS 107  -2.006  13.776 -10.475
  835   2HZ   LYS 107          2HE       LYS 107  -0.460  14.199 -11.038
  836   3HZ   LYS 107          3HE       LYS 107  -0.786  14.186  -9.371
  837    H    ASP 108           HN       ASP 108  -3.319  12.068  -6.668
  838    HA   ASP 108           HA       ASP 108  -2.188  14.656  -6.182
  839   1HB   ASP 108          2HB       ASP 108  -4.200  13.778  -7.728
  840   2HB   ASP 108          1HB       ASP 108  -5.147  14.347  -6.353
  841    H    ASP 109           HN       ASP 109  -4.471  12.657  -4.336
  842    HA   ASP 109           HA       ASP 109  -4.468  14.742  -2.194
  843   1HB   ASP 109          2HB       ASP 109  -6.452  12.718  -3.119
  844   2HB   ASP 109          1HB       ASP 109  -6.400  13.056  -1.388
  845    H    VAL 110           HN       VAL 110  -2.372  14.031  -1.329
  846    HA   VAL 110           HA       VAL 110  -2.522  11.360   0.013
  847    HB   VAL 110           HB       VAL 110   0.028  12.861  -0.599
  848   1HG1  VAL 110          1HG1      VAL 110   1.004  11.109   0.418
  849   2HG1  VAL 110          2HG1      VAL 110   0.127   9.967  -0.597
  850   3HG1  VAL 110          3HG1      VAL 110  -0.600  10.557   0.895
  851   1HG2  VAL 110          1HG2      VAL 110  -0.021  10.833  -2.426
  852   2HG2  VAL 110          2HG2      VAL 110  -0.477  12.495  -2.789
  853   3HG2  VAL 110          3HG2      VAL 110  -1.722  11.302  -2.411
  854    H    ASP 111           HN       ASP 111  -1.819  11.273   2.198
  855    HA   ASP 111           HA       ASP 111  -1.391  13.923   3.513
  856   1HB   ASP 111          2HB       ASP 111  -3.331  11.748   4.123
  857   2HB   ASP 111          1HB       ASP 111  -2.542  12.511   5.503
  858    H    THR 112           HN       THR 112  -0.754  10.441   3.498
  859    HA   THR 112           HA       THR 112   1.781  10.970   4.949
  860    HB   THR 112           HB       THR 112  -0.047   8.723   5.819
  861    HG1  THR 112           HG1      THR 112  -1.047  10.077   7.056
  862   1HG2  THR 112          1HG2      THR 112   1.938   9.930   7.638
  863   2HG2  THR 112          2HG2      THR 112   2.626   9.118   6.231
  864   3HG2  THR 112          3HG2      THR 112   1.574   8.231   7.335
  865    H    LEU 113           HN       LEU 113   3.407   9.868   3.957
  866    HA   LEU 113           HA       LEU 113   2.641   7.625   2.133
  867   1HB   LEU 113          2HB       LEU 113   5.120   9.372   2.085
  868   2HB   LEU 113          1HB       LEU 113   4.711   8.124   0.908
  869    HG   LEU 113           HG       LEU 113   2.730  10.306   1.466
  870   1HD1  LEU 113          1HD1      LEU 113   3.787  11.857   0.071
  871   2HD1  LEU 113          2HD1      LEU 113   4.816  10.633  -0.674
  872   3HD1  LEU 113          3HD1      LEU 113   5.152  11.188   0.966
  873   1HD2  LEU 113          1HD2      LEU 113   2.732   9.804  -1.209
  874   2HD2  LEU 113          2HD2      LEU 113   1.755   8.900  -0.052
  875   3HD2  LEU 113          3HD2      LEU 113   3.302   8.251  -0.596
  876    H    LEU 114           HN       LEU 114   3.460   5.607   2.532
  877    HA   LEU 114           HA       LEU 114   5.660   5.371   4.546
  878   1HB   LEU 114          2HB       LEU 114   3.397   3.385   4.261
  879   2HB   LEU 114          1HB       LEU 114   4.564   3.518   5.576
  880    HG   LEU 114           HG       LEU 114   2.709   5.808   4.946
  881   1HD1  LEU 114          1HD1      LEU 114   1.355   4.744   6.926
  882   2HD1  LEU 114          2HD1      LEU 114   2.103   3.242   6.385
  883   3HD1  LEU 114          3HD1      LEU 114   1.084   4.166   5.282
  884   1HD2  LEU 114          1HD2      LEU 114   4.796   5.348   6.785
  885   2HD2  LEU 114          2HD2      LEU 114   3.309   5.245   7.728
  886   3HD2  LEU 114          3HD2      LEU 114   3.660   6.696   6.789
  887    H    VAL 115           HN       VAL 115   7.283   4.918   3.092
  888    HA   VAL 115           HA       VAL 115   6.817   2.622   1.224
  889    HB   VAL 115           HB       VAL 115   7.369   4.826   0.178
  890   1HG1  VAL 115          1HG1      VAL 115   9.581   5.753   0.405
  891   2HG1  VAL 115          2HG1      VAL 115  10.114   4.382   1.378
  892   3HG1  VAL 115          3HG1      VAL 115   8.941   5.525   2.032
  893   1HG2  VAL 115          1HG2      VAL 115   7.872   2.643  -0.910
  894   2HG2  VAL 115          2HG2      VAL 115   9.474   2.669  -0.170
  895   3HG2  VAL 115          3HG2      VAL 115   9.032   3.894  -1.360
  896    H    THR 116           HN       THR 116   8.209   0.896   1.198
  897    HA   THR 116           HA       THR 116  10.300   0.834   3.336
  898    HB   THR 116           HB       THR 116   9.325  -1.656   1.981
  899    HG1  THR 116           HG1      THR 116   7.582  -1.745   3.406
  900   1HG2  THR 116          1HG2      THR 116  10.468  -0.834   4.626
  901   2HG2  THR 116          2HG2      THR 116  10.980  -2.127   3.542
  902   3HG2  THR 116          3HG2      THR 116   9.525  -2.320   4.519
  903    H    ARG 117           HN       ARG 117  12.372   0.913   2.565
  904    HA   ARG 117           HA       ARG 117  12.806   0.216  -0.304
  905   1HB   ARG 117          2HB       ARG 117  14.488   1.858   1.612
  906   2HB   ARG 117          1HB       ARG 117  14.911   1.524  -0.068
  907   1HG   ARG 117          2HG       ARG 117  12.193   2.525   0.120
  908   2HG   ARG 117          1HG       ARG 117  13.323   3.646   0.878
  909   1HD   ARG 117          2HD       ARG 117  14.252   2.528  -1.689
  910   2HD   ARG 117          1HD       ARG 117  12.821   3.551  -1.812
  911    HE   ARG 117           HE       ARG 117  14.448   5.089  -0.262
  912   1HH1  ARG 117          1HH2      ARG 117  14.988   3.317  -3.204
  913   2HH1  ARG 117          2HH2      ARG 117  16.220   4.396  -3.760
  914   1HH2  ARG 117          1HH1      ARG 117  16.039   6.484  -1.006
  915   2HH2  ARG 117          2HH1      ARG 117  16.811   6.180  -2.526
  916    H    LEU 118           HN       LEU 118  13.601  -1.793  -0.613
  917    HA   LEU 118           HA       LEU 118  15.016  -3.210   1.540
  918   1HB   LEU 118          2HB       LEU 118  14.089  -3.930  -1.236
  919   2HB   LEU 118          1HB       LEU 118  15.226  -4.970  -0.381
  920    HG   LEU 118           HG       LEU 118  13.582  -4.926   1.573
  921   1HD1  LEU 118          1HD1      LEU 118  12.221  -3.038   0.995
  922   2HD1  LEU 118          2HD1      LEU 118  11.198  -4.462   0.808
  923   3HD1  LEU 118          3HD1      LEU 118  11.897  -3.686  -0.613
  924   1HD2  LEU 118          1HD2      LEU 118  13.550  -6.971   0.505
  925   2HD2  LEU 118          2HD2      LEU 118  13.199  -6.261  -1.070
  926   3HD2  LEU 118          3HD2      LEU 118  11.914  -6.433   0.126
  927    H    ALA 119           HN       ALA 119  17.197  -4.094   1.224
  928    HA   ALA 119           HA       ALA 119  18.955  -2.151  -0.096
  929   1HB   ALA 119          1HB       ALA 119  19.824  -2.884   1.963
  930   2HB   ALA 119          2HB       ALA 119  20.740  -3.828   0.788
  931   3HB   ALA 119          3HB       ALA 119  19.391  -4.565   1.651
  932    H    GLY 120           HN       GLY 120  17.728  -5.384  -0.713
  933   1HA   GLY 120          2HA       GLY 120  19.696  -6.015  -2.762
  934   2HA   GLY 120          1HA       GLY 120  18.195  -6.892  -2.464
  935    H    SER 121           HN       SER 121  18.872  -6.466  -5.077
  936    HA   SER 121           HA       SER 121  16.995  -4.286  -5.905
  937   1HB   SER 121          2HB       SER 121  18.363  -3.925  -7.876
  938   2HB   SER 121          1HB       SER 121  19.405  -3.836  -6.458
  939    HG   SER 121           HG       SER 121  20.476  -5.225  -7.699
  940    H    PHE 122           HN       PHE 122  15.171  -5.199  -6.740
  941    HA   PHE 122           HA       PHE 122  15.430  -7.829  -8.127
  942   1HB   PHE 122          2HB       PHE 122  12.966  -6.542  -6.910
  943   2HB   PHE 122          1HB       PHE 122  13.066  -8.165  -7.594
  944    HD1  PHE 122           HD1      PHE 122  14.054  -9.985  -6.373
  945    HD2  PHE 122           HD2      PHE 122  14.230  -5.979  -4.832
  946    HE1  PHE 122           HE1      PHE 122  14.849 -10.859  -4.192
  947    HE2  PHE 122           HE2      PHE 122  15.023  -6.853  -2.651
  948    HZ   PHE 122           HZ       PHE 122  15.333  -9.293  -2.331
  949    H    GLU 123           HN       GLU 123  13.953  -8.109 -10.024
  950    HA   GLU 123           HA       GLU 123  13.559  -5.507 -11.453
  951   1HB   GLU 123          2HB       GLU 123  13.909  -6.836 -13.560
  952   2HB   GLU 123          1HB       GLU 123  15.336  -6.749 -12.526
  953   1HG   GLU 123          HG2       GLU 123  13.573  -9.013 -11.888
  954   2HG   GLU 123          HG1       GLU 123  14.239  -9.081 -13.520
  955    H    GLY 124           HN       GLY 124  11.816  -5.604 -13.138
  956   1HA   GLY 124          2HA       GLY 124   9.843  -7.636 -13.276
  957   2HA   GLY 124          1HA       GLY 124   9.335  -6.486 -12.036
  958    H    ASP 125           HN       ASP 125   7.549  -5.672 -13.335
  959    HA   ASP 125           HA       ASP 125   8.461  -3.857 -15.504
  960   1HB   ASP 125          2HB       ASP 125   6.988  -6.228 -15.927
  961   2HB   ASP 125          1HB       ASP 125   5.822  -4.912 -16.064
  962    H    THR 126           HN       THR 126   6.697  -4.364 -12.662
  963    HA   THR 126           HA       THR 126   4.992  -1.959 -13.135
  964    HB   THR 126           HB       THR 126   4.745  -3.907 -10.834
  965    HG1  THR 126           HG1      THR 126   4.051  -5.290 -12.225
  966   1HG2  THR 126          1HG2      THR 126   3.571  -1.482 -11.256
  967   2HG2  THR 126          2HG2      THR 126   2.831  -2.787 -10.330
  968   3HG2  THR 126          3HG2      THR 126   2.403  -2.557 -12.025
  969    H    LYS 127           HN       LYS 127   5.867  -0.119 -12.296
  970    HA   LYS 127           HA       LYS 127   7.495  -0.384  -9.799
  971   1HB   LYS 127          2HB       LYS 127   7.841   1.453 -12.179
  972   2HB   LYS 127          1HB       LYS 127   8.650   1.730 -10.635
  973   1HG   LYS 127          2HG       LYS 127   9.835  -0.343 -10.774
  974   2HG   LYS 127          1HG       LYS 127   8.838  -0.899 -12.119
  975   1HD   LYS 127          2HD       LYS 127  10.710  -0.177 -13.276
  976   2HD   LYS 127          1HD       LYS 127   9.757   1.308 -13.273
  977   1HE   LYS 127          2HE       LYS 127  11.323   2.376 -12.058
  978   2HE   LYS 127          1HE       LYS 127  11.299   1.109 -10.832
  979   1HZ   LYS 127          1HE       LYS 127  12.945  -0.080 -11.904
  980   2HZ   LYS 127          2HE       LYS 127  13.453   1.525 -12.135
  981   3HZ   LYS 127          3HE       LYS 127  12.687   0.683 -13.397
  982    H    MET 128           HN       MET 128   7.343   1.450  -8.319
  983    HA   MET 128           HA       MET 128   4.655   2.344  -7.924
  984   1HB   MET 128          2HB       MET 128   6.805   2.212  -6.315
  985   2HB   MET 128          1HB       MET 128   6.872   3.927  -6.725
  986   1HG   MET 128          2HG       MET 128   4.184   2.876  -6.043
  987   2HG   MET 128          1HG       MET 128   5.339   2.937  -4.716
  988   1HE   MET 128          1HE       MET 128   3.613   4.850  -3.496
  989   2HE   MET 128          2HE       MET 128   2.693   4.270  -4.883
  990   3HE   MET 128          3HE       MET 128   2.819   6.001  -4.580
  991    H    ILE 129           HN       ILE 129   3.848   4.546  -8.015
  992    HA   ILE 129           HA       ILE 129   4.591   5.910 -10.464
  993    HB   ILE 129           HB       ILE 129   2.829   7.534  -9.735
  994   1HG1  ILE 129          2HG1      ILE 129   2.044   5.820  -7.455
  995   2HG1  ILE 129          1HG1      ILE 129   3.516   6.757  -7.199
  996   1HG2  ILE 129          1HG2      ILE 129   1.522   6.030 -10.784
  997   2HG2  ILE 129          2HG2      ILE 129   1.218   5.279  -9.218
  998   3HG2  ILE 129          3HG2      ILE 129   2.535   4.696 -10.234
  999   1HD1  ILE 129          1HD1      ILE 129   1.266   8.229  -8.447
 1000   2HD1  ILE 129          2HD1      ILE 129   2.405   8.753  -7.208
 1001   3HD1  ILE 129          3HD1      ILE 129   1.025   7.749  -6.768
 1002    HA   PRO 130           HA       PRO 130   7.320   9.037  -8.893
 1003   1HB   PRO 130          2HB       PRO 130   6.310  11.250 -10.309
 1004   2HB   PRO 130          1HB       PRO 130   7.530  10.104 -10.881
 1005   1HG   PRO 130          2HG       PRO 130   4.870  10.451 -11.842
 1006   2HG   PRO 130          1HG       PRO 130   6.076   9.273 -12.378
 1007   1HD   PRO 130          2HD       PRO 130   3.748   8.875 -10.652
 1008   2HD   PRO 130          1HD       PRO 130   4.741   7.671 -11.489
 1009    H    LEU 131           HN       LEU 131   6.841   9.439  -6.719
 1010    HA   LEU 131           HA       LEU 131   4.516  11.132  -6.038
 1011   1HB   LEU 131          2HB       LEU 131   6.523   9.535  -4.460
 1012   2HB   LEU 131          1HB       LEU 131   5.539  10.761  -3.660
 1013    HG   LEU 131           HG       LEU 131   4.293   8.655  -5.426
 1014   1HD1  LEU 131          1HD1      LEU 131   3.961   7.242  -3.509
 1015   2HD1  LEU 131          2HD1      LEU 131   4.630   8.459  -2.423
 1016   3HD1  LEU 131          3HD1      LEU 131   5.681   7.625  -3.567
 1017   1HD2  LEU 131          1HD2      LEU 131   3.390  10.883  -3.790
 1018   2HD2  LEU 131          2HD2      LEU 131   2.649   9.373  -3.260
 1019   3HD2  LEU 131          3HD2      LEU 131   2.475   9.901  -4.933
 1020    H    ASN 132           HN       ASN 132   4.839  13.095  -4.705
 1021    HA   ASN 132           HA       ASN 132   7.243  14.570  -5.615
 1022   1HB   ASN 132          2HB       ASN 132   4.588  15.284  -5.470
 1023   2HB   ASN 132          1HB       ASN 132   5.244  16.021  -4.008
 1024   1HD2  ASN 132          1HD2      ASN 132   6.797  17.750  -4.254
 1025   2HD2  ASN 132          2HD2      ASN 132   7.135  18.454  -5.761
 1026    H    TRP 133           HN       TRP 133   8.420  13.083  -3.957
 1027    HA   TRP 133           HA       TRP 133   8.149  13.302  -1.170
 1028   1HB   TRP 133          2HB       TRP 133  10.777  13.222  -2.681
 1029   2HB   TRP 133          1HB       TRP 133  10.507  12.707  -1.017
 1030    HD1  TRP 133           HD1      TRP 133  10.167  11.577  -4.586
 1031    HE1  TRP 133           HE1      TRP 133   9.298   9.151  -4.646
 1032    HE3  TRP 133           HE3      TRP 133   8.915  10.968   0.326
 1033    HZ2  TRP 133           HZ2      TRP 133   8.216   7.209  -2.847
 1034    HZ3  TRP 133           HZ3      TRP 133   7.969   8.822   1.124
 1035    HH2  TRP 133           HH2      TRP 133   7.619   6.944  -0.453
 1036    H    ASP 134           HN       ASP 134   9.426  15.638  -3.446
 1037    HA   ASP 134           HA       ASP 134  10.811  17.312  -1.577
 1038   1HB   ASP 134          2HB       ASP 134   9.976  17.447  -4.364
 1039   2HB   ASP 134          1HB       ASP 134   9.799  19.008  -3.561
 1040    H    ASP 135           HN       ASP 135   7.409  16.948  -2.343
 1041    HA   ASP 135           HA       ASP 135   6.698  19.430  -0.909
 1042   1HB   ASP 135          2HB       ASP 135   5.399  17.616  -2.787
 1043   2HB   ASP 135          1HB       ASP 135   4.355  17.986  -1.414
 1044    H    PHE 136           HN       PHE 136   7.358  16.220  -0.104
 1045    HA   PHE 136           HA       PHE 136   5.700  16.444   2.381
 1046   1HB   PHE 136          2HB       PHE 136   6.678  13.981   0.911
 1047   2HB   PHE 136          1HB       PHE 136   5.917  13.940   2.501
 1048    HD1  PHE 136           HD1      PHE 136   5.362  15.177  -0.986
 1049    HD2  PHE 136           HD2      PHE 136   3.579  13.845   2.684
 1050    HE1  PHE 136           HE1      PHE 136   3.131  15.201  -2.064
 1051    HE2  PHE 136           HE2      PHE 136   1.345  13.871   1.607
 1052    HZ   PHE 136           HZ       PHE 136   1.122  14.548  -0.767
 1053    H    THR 137           HN       THR 137   6.746  15.338   4.298
 1054    HA   THR 137           HA       THR 137   9.724  15.432   4.174
 1055    HB   THR 137           HB       THR 137   8.194  16.556   6.521
 1056    HG1  THR 137           HG1      THR 137   9.148  17.920   4.225
 1057   1HG2  THR 137          1HG2      THR 137  11.004  16.947   5.453
 1058   2HG2  THR 137          2HG2      THR 137  10.556  15.979   6.857
 1059   3HG2  THR 137          3HG2      THR 137  10.343  17.729   6.889
 1060    H    LYS 138           HN       LYS 138  10.636  13.672   5.185
 1061    HA   LYS 138           HA       LYS 138   8.916  11.620   6.284
 1062   1HB   LYS 138          2HB       LYS 138  11.366  11.588   5.131
 1063   2HB   LYS 138          1HB       LYS 138  11.837  11.530   6.831
 1064   1HG   LYS 138          2HG       LYS 138   9.757   9.717   6.726
 1065   2HG   LYS 138          1HG       LYS 138  10.552   9.472   5.174
 1066   1HD   LYS 138          2HD       LYS 138  12.217   9.668   7.663
 1067   2HD   LYS 138          1HD       LYS 138  11.390   8.154   7.292
 1068   1HE   LYS 138          2HE       LYS 138  13.284   7.738   6.082
 1069   2HE   LYS 138          1HE       LYS 138  12.459   8.710   4.863
 1070   1HZ   LYS 138          1HE       LYS 138  13.607  10.651   5.614
 1071   2HZ   LYS 138          2HE       LYS 138  14.758   9.437   5.314
 1072   3HZ   LYS 138          3HE       LYS 138  14.307   9.808   6.910
 1073    H    VAL 139           HN       VAL 139   8.140  11.605   8.329
 1074    HA   VAL 139           HA       VAL 139   9.484  13.296  10.374
 1075    HB   VAL 139           HB       VAL 139   7.363  12.940  11.665
 1076   1HG1  VAL 139          1HG1      VAL 139   7.701  14.884  10.130
 1077   2HG1  VAL 139          2HG1      VAL 139   6.009  14.404  10.262
 1078   3HG1  VAL 139          3HG1      VAL 139   6.946  13.953   8.837
 1079   1HG2  VAL 139          1HG2      VAL 139   6.319  11.707   9.106
 1080   2HG2  VAL 139          2HG2      VAL 139   5.507  11.812  10.668
 1081   3HG2  VAL 139          3HG2      VAL 139   6.885  10.730  10.461
 1082    H    SER 140           HN       SER 140   8.849   9.959   9.567
 1083    HA   SER 140           HA       SER 140  10.406   9.161  11.964
 1084   1HB   SER 140          2HB       SER 140   7.662   8.094  11.258
 1085   2HB   SER 140          1HB       SER 140   8.753   7.303  12.392
 1086    HG   SER 140           HG       SER 140   8.577   8.998  13.752
 1087    H    SER 141           HN       SER 141  11.718   7.413  11.572
 1088    HA   SER 141           HA       SER 141  11.230   5.693   9.230
 1089   1HB   SER 141          2HB       SER 141  13.988   6.428   9.090
 1090   2HB   SER 141          1HB       SER 141  12.737   6.668   7.875
 1091    HG   SER 141           HG       SER 141  13.722   8.632   8.602
 1092    H    ARG 142           HN       ARG 142  11.994   3.622   9.626
 1093    HA   ARG 142           HA       ARG 142  13.889   3.278  11.911
 1094   1HB   ARG 142          2HB       ARG 142  11.276   2.659  12.155
 1095   2HB   ARG 142          1HB       ARG 142  11.842   1.171  11.397
 1096   1HG   ARG 142          2HG       ARG 142  12.236   0.637  13.610
 1097   2HG   ARG 142          1HG       ARG 142  13.774   1.410  13.222
 1098   1HD   ARG 142          2HD       ARG 142  13.002   2.394  15.277
 1099   2HD   ARG 142          1HD       ARG 142  12.759   3.594  14.010
 1100    HE   ARG 142           HE       ARG 142  10.404   3.289  14.205
 1101   1HH1  ARG 142          1HH2      ARG 142  12.198   0.990  16.101
 1102   2HH1  ARG 142          2HH2      ARG 142  10.809   0.472  16.992
 1103   1HH2  ARG 142          1HH1      ARG 142   8.613   2.595  15.365
 1104   2HH2  ARG 142          2HH1      ARG 142   8.792   1.371  16.578
 1105    H    THR 143           HN       THR 143  15.642   1.999  11.335
 1106    HA   THR 143           HA       THR 143  15.448   0.567   8.726
 1107    HB   THR 143           HB       THR 143  17.982   1.214  10.242
 1108    HG1  THR 143           HG1      THR 143  17.319   3.198   9.876
 1109   1HG2  THR 143          1HG2      THR 143  17.250   0.097   7.609
 1110   2HG2  THR 143          2HG2      THR 143  18.721  -0.121   8.556
 1111   3HG2  THR 143          3HG2      THR 143  18.515   1.324   7.566
 1112    H    VAL 144           HN       VAL 144  15.491  -1.632   8.751
 1113    HA   VAL 144           HA       VAL 144  16.479  -2.963  11.239
 1114    HB   VAL 144           HB       VAL 144  14.012  -3.051  11.119
 1115   1HG1  VAL 144          1HG1      VAL 144  14.022  -4.866   8.783
 1116   2HG1  VAL 144          2HG1      VAL 144  14.351  -3.173   8.416
 1117   3HG1  VAL 144          3HG1      VAL 144  12.857  -3.623   9.240
 1118   1HG2  VAL 144          1HG2      VAL 144  14.306  -5.045  12.127
 1119   2HG2  VAL 144          2HG2      VAL 144  15.805  -5.311  11.238
 1120   3HG2  VAL 144          3HG2      VAL 144  14.266  -5.816  10.542
 1121    H    GLU 145           HN       GLU 145  18.065  -4.415  10.861
 1122    HA   GLU 145           HA       GLU 145  18.780  -5.064   8.078
 1123   1HB   GLU 145          2HB       GLU 145  20.102  -5.254  10.749
 1124   2HB   GLU 145          1HB       GLU 145  20.629  -6.383   9.501
 1125   1HG   GLU 145          HG2       GLU 145  20.354  -3.720   8.392
 1126   2HG   GLU 145          HG1       GLU 145  21.420  -3.692   9.796
 1127    H    ASP 146           HN       ASP 146  19.257  -7.355   7.501
 1128    HA   ASP 146           HA       ASP 146  17.704  -9.342   9.080
 1129   1HB   ASP 146          2HB       ASP 146  16.718  -8.194   6.735
 1130   2HB   ASP 146          1HB       ASP 146  17.390  -9.735   6.202
 1131    H    THR 147           HN       THR 147  18.338 -11.566   8.595
 1132    HA   THR 147           HA       THR 147  21.151 -11.923   8.266
 1133    HB   THR 147           HB       THR 147  20.455 -14.382   7.899
 1134    HG1  THR 147           HG1      THR 147  18.434 -14.436   7.292
 1135   1HG2  THR 147          1HG2      THR 147  20.807 -14.392  10.118
 1136   2HG2  THR 147          2HG2      THR 147  19.131 -13.904  10.367
 1137   3HG2  THR 147          3HG2      THR 147  20.391 -12.680  10.212
 1138    H    ASN 148           HN       ASN 148  18.634 -11.545   5.964
 1139    HA   ASN 148           HA       ASN 148  20.356 -12.631   3.783
 1140   1HB   ASN 148          2HB       ASN 148  17.827 -13.231   4.081
 1141   2HB   ASN 148          1HB       ASN 148  17.554 -11.645   3.366
 1142   1HD2  ASN 148          1HD2      ASN 148  19.633 -14.532   2.730
 1143   2HD2  ASN 148          2HD2      ASN 148  19.430 -14.482   1.046
 1144    HA   PRO 149           HA       PRO 149  21.879  -8.523   2.943
 1145   1HB   PRO 149          2HB       PRO 149  22.208  -9.316   0.171
 1146   2HB   PRO 149          1HB       PRO 149  23.448  -9.002   1.391
 1147   1HG   PRO 149          2HG       PRO 149  22.535 -11.528   0.387
 1148   2HG   PRO 149          1HG       PRO 149  23.824 -11.207   1.554
 1149   1HD   PRO 149          2HD       PRO 149  21.355 -12.414   2.108
 1150   2HD   PRO 149          1HD       PRO 149  22.508 -11.793   3.299
 1151    H    ALA 150           HN       ALA 150  19.708 -10.074   0.557
 1152    HA   ALA 150           HA       ALA 150  18.802  -7.494  -0.457
 1153   1HB   ALA 150          1HB       ALA 150  17.324 -10.065  -0.928
 1154   2HB   ALA 150          2HB       ALA 150  18.909  -9.822  -1.662
 1155   3HB   ALA 150          3HB       ALA 150  17.588  -8.714  -2.032
 1156    H    LEU 151           HN       LEU 151  17.551  -9.878   1.860
 1157    HA   LEU 151           HA       LEU 151  14.917  -8.736   2.030
 1158   1HB   LEU 151          2HB       LEU 151  16.440 -10.383   4.063
 1159   2HB   LEU 151          1HB       LEU 151  14.709 -10.070   4.092
 1160    HG   LEU 151           HG       LEU 151  16.205 -11.507   1.878
 1161   1HD1  LEU 151          1HD1      LEU 151  14.071 -12.683   3.646
 1162   2HD1  LEU 151          2HD1      LEU 151  15.749 -12.643   4.188
 1163   3HD1  LEU 151          3HD1      LEU 151  15.319 -13.511   2.714
 1164   1HD2  LEU 151          1HD2      LEU 151  13.760 -12.033   1.202
 1165   2HD2  LEU 151          2HD2      LEU 151  14.374 -10.420   0.838
 1166   3HD2  LEU 151          3HD2      LEU 151  13.324 -10.670   2.231
 1167    H    THR 152           HN       THR 152  17.832  -7.359   2.967
 1168    HA   THR 152           HA       THR 152  17.033  -6.183   5.494
 1169    HB   THR 152           HB       THR 152  19.012  -5.030   3.508
 1170    HG1  THR 152           HG1      THR 152  19.434  -6.991   5.510
 1171   1HG2  THR 152          1HG2      THR 152  19.946  -4.765   6.117
 1172   2HG2  THR 152          2HG2      THR 152  18.215  -4.459   6.256
 1173   3HG2  THR 152          3HG2      THR 152  19.194  -3.495   5.151
 1174    H    HIS 153           HN       HIS 153  16.112  -4.049   5.815
 1175    HA   HIS 153           HA       HIS 153  15.517  -2.370   3.511
 1176   1HB   HIS 153          2HB       HIS 153  13.022  -2.594   3.711
 1177   2HB   HIS 153          1HB       HIS 153  13.825  -4.027   3.078
 1178    HD1  HIS 153           HD1      HIS 153  14.548  -5.783   5.191
 1179    HD2  HIS 153           HD2      HIS 153  11.273  -3.259   5.728
 1180    HE1  HIS 153           HE1      HIS 153  13.182  -6.776   7.076
 1181    H    THR 154           HN       THR 154  14.047  -0.529   4.133
 1182    HA   THR 154           HA       THR 154  14.156   0.070   7.056
 1183    HB   THR 154           HB       THR 154  14.824   2.041   4.848
 1184    HG1  THR 154           HG1      THR 154  16.966   1.802   5.779
 1185   1HG2  THR 154          1HG2      THR 154  13.960   3.150   6.797
 1186   2HG2  THR 154          2HG2      THR 154  15.713   3.341   6.825
 1187   3HG2  THR 154          3HG2      THR 154  14.939   2.149   7.867
 1188    H    TYR 155           HN       TYR 155  12.493   1.634   7.719
 1189    HA   TYR 155           HA       TYR 155  10.202   1.711   5.797
 1190   1HB   TYR 155          2HB       TYR 155  10.214   1.893   8.827
 1191   2HB   TYR 155          1HB       TYR 155   8.777   1.953   7.809
 1192    HD1  TYR 155           HD1      TYR 155   8.403  -0.053   6.188
 1193    HD2  TYR 155           HD2      TYR 155  11.025  -0.170   9.588
 1194    HE1  TYR 155           HE1      TYR 155   8.298  -2.531   6.184
 1195    HE2  TYR 155           HE2      TYR 155  10.921  -2.647   9.584
 1196    HH   TYR 155           HH       TYR 155   9.489  -4.424   6.972
 1197    H    GLU 156           HN       GLU 156   9.676   3.725   5.013
 1198    HA   GLU 156           HA       GLU 156  10.665   6.087   6.560
 1199   1HB   GLU 156          2HB       GLU 156  10.159   5.797   3.583
 1200   2HB   GLU 156          1HB       GLU 156  10.676   7.280   4.384
 1201   1HG   GLU 156          HG2       GLU 156  12.679   5.997   5.253
 1202   2HG   GLU 156          HG1       GLU 156  12.203   4.674   4.187
 1203    H    VAL 157           HN       VAL 157   9.056   7.282   7.467
 1204    HA   VAL 157           HA       VAL 157   6.316   7.092   6.284
 1205    HB   VAL 157           HB       VAL 157   7.207   7.806   9.100
 1206   1HG1  VAL 157          1HG1      VAL 157   5.092   8.476   9.569
 1207   2HG1  VAL 157          2HG1      VAL 157   4.375   7.179   8.616
 1208   3HG1  VAL 157          3HG1      VAL 157   4.910   8.660   7.825
 1209   1HG2  VAL 157          1HG2      VAL 157   5.515   5.598   9.173
 1210   2HG2  VAL 157          2HG2      VAL 157   7.271   5.556   9.325
 1211   3HG2  VAL 157          3HG2      VAL 157   6.517   5.301   7.752
 1212    H    TRP 158           HN       TRP 158   5.608   8.943   5.279
 1213    HA   TRP 158           HA       TRP 158   6.996  11.497   5.993
 1214   1HB   TRP 158          2HB       TRP 158   5.697  10.684   3.378
 1215   2HB   TRP 158          1HB       TRP 158   6.420  12.257   3.703
 1216    HD1  TRP 158           HD1      TRP 158   7.472   8.532   3.781
 1217    HE1  TRP 158           HE1      TRP 158   9.936   8.385   3.039
 1218    HE3  TRP 158           HE3      TRP 158   8.517  13.496   3.194
 1219    HZ2  TRP 158           HZ2      TRP 158  12.072  10.139   2.302
 1220    HZ3  TRP 158           HZ3      TRP 158  10.771  14.230   2.473
 1221    HH2  TRP 158           HH2      TRP 158  12.549  12.560   2.027
 1222    H    GLN 159           HN       GLN 159   5.652  13.453   5.730
 1223    HA   GLN 159           HA       GLN 159   2.723  13.015   6.014
 1224   1HB   GLN 159          2HB       GLN 159   4.490  14.596   7.911
 1225   2HB   GLN 159          1HB       GLN 159   2.732  14.728   7.877
 1226   1HG   GLN 159          2HG       GLN 159   3.925  11.994   8.078
 1227   2HG   GLN 159          1HG       GLN 159   3.951  13.016   9.515
 1228   1HE2  GLN 159          1HE2      GLN 159   2.167  12.562  10.803
 1229   2HE2  GLN 159          2HE2      GLN 159   0.605  12.228  10.228
 1230    H    LYS 160           HN       LYS 160   1.512  14.791   5.088
 1231    HA   LYS 160           HA       LYS 160   3.087  16.504   3.321
 1232   1HB   LYS 160          2HB       LYS 160   0.781  15.402   2.850
 1233   2HB   LYS 160          1HB       LYS 160   0.119  16.738   3.793
 1234   1HG   LYS 160          2HG       LYS 160   2.033  17.804   1.943
 1235   2HG   LYS 160          1HG       LYS 160   0.926  16.755   1.057
 1236   1HD   LYS 160          2HD       LYS 160  -0.354  18.533   3.047
 1237   2HD   LYS 160          1HD       LYS 160   0.379  19.354   1.669
 1238   1HE   LYS 160          2HE       LYS 160  -0.874  17.335   0.377
 1239   2HE   LYS 160          1HE       LYS 160  -1.957  17.523   1.756
 1240   1HZ   LYS 160          1HE       LYS 160  -1.133  19.619  -0.174
 1241   2HZ   LYS 160          2HE       LYS 160  -1.998  19.937   1.253
 1242   3HZ   LYS 160          3HE       LYS 160  -2.686  18.972   0.036
 1243    H    LYS 161           HN       LYS 161   3.678  18.574   3.748
 1244    HA   LYS 161           HA       LYS 161   3.185  19.733   6.354
 1245   1HB   LYS 161          2HB       LYS 161   4.345  20.950   3.828
 1246   2HB   LYS 161          1HB       LYS 161   4.381  21.706   5.421
 1247   1HG   LYS 161          2HG       LYS 161   5.408  19.272   6.034
 1248   2HG   LYS 161          1HG       LYS 161   5.972  19.433   4.370
 1249   1HD   LYS 161          2HD       LYS 161   7.468  21.039   4.920
 1250   2HD   LYS 161          1HD       LYS 161   6.300  21.898   5.925
 1251   1HE   LYS 161          2HE       LYS 161   7.475  19.303   6.887
 1252   2HE   LYS 161          1HE       LYS 161   8.393  20.799   7.058
 1253   1HZ   LYS 161          1HE       LYS 161   6.148  21.668   8.010
 1254   2HZ   LYS 161          2HE       LYS 161   7.208  20.778   8.996
 1255   3HZ   LYS 161          3HE       LYS 161   5.851  20.025   8.305
 1256    H    ALA 162           HN       ALA 162   1.975  21.668   6.799
 1257    HA   ALA 162           HA       ALA 162  -0.149  22.252   4.770
 1258   1HB   ALA 162          1HB       ALA 162  -0.784  21.036   6.988
 1259   2HB   ALA 162          2HB       ALA 162  -1.762  22.411   6.474
 1260   3HB   ALA 162          3HB       ALA 162  -0.546  22.616   7.734
 1261   AH51  NDP 168          AH51      NDP 168  -5.702  -3.541  -9.229
 1262   AH52  NDP 168          AH52      NDP 168  -5.596  -2.190 -10.370
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.767  -4.320 -10.435
 1264   AH3*  NDP 168          AH3*      NDP 168  -7.408  -1.775 -12.037
 1265   AHO3  NDP 168          AHO3      NDP 168  -8.267  -4.450 -12.589
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.806  -1.611 -12.060
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.148  -2.244  -9.383
 1268   AH8   NDP 168          AH8       NDP 168  -7.043  -0.137  -9.855
 1269   AH61  NDP 168          AH61      NDP 168 -10.841   4.722  -9.185
 1270   AH62  NDP 168          AH62      NDP 168  -9.175   4.195  -9.164
 1271   AH2   NDP 168          AH2       NDP 168 -13.362   1.027  -9.518
 1272   NH51  NDP 168          NH51      NDP 168  -0.838  -4.489 -10.639
 1273   NH52  NDP 168          NH52      NDP 168  -1.871  -5.652  -9.817
 1274   NH4*  NDP 168          NH4*      NDP 168   0.679  -6.114  -9.769
 1275   NH3*  NDP 168          NH3*      NDP 168  -0.931  -6.124  -7.196
 1276   NHO3  NDP 168          NHO3      NDP 168  -0.477  -7.816  -9.312
 1277   NH2*  NDP 168          NH2*      NDP 168   1.105  -6.844  -6.134
 1278   NHO2  NDP 168          NHO2      NDP 168   1.679  -8.247  -8.062
 1279   NH1*  NDP 168          NH1*      NDP 168   2.734  -5.037  -7.485
 1280   NH2   NDP 168          NH2       NDP 168   3.272  -3.750  -5.548
 1281   NH71  NDP 168          NH71      NDP 168   4.668  -3.279  -4.713
 1282   NH72  NDP 168          NH72      NDP 168   5.136  -2.518  -3.210
 1283   NH41  NDP 168          NH41      NDP 168   0.203  -1.997  -3.720
 1284   NH42  NDP 168          NH42      NDP 168   0.366  -3.550  -2.829
 1285   NH5   NDP 168          NH5       NDP 168  -1.565  -3.611  -4.397
 1286   NH6   NDP 168          NH6       NDP 168  -0.863  -4.762  -6.531
 1287    H1   TRR 170           H1       TRR 170   4.701  -5.189   1.576
 1288   1H2   TRR 170          1H2       TRR 170   5.521  -3.280   2.746
 1289   2H2   TRR 170          2H2       TRR 170   4.637  -1.817   2.706
 1290   1H4   TRR 170          1H4       TRR 170  -0.057  -2.936  -0.589
 1291   2H4   TRR 170          2H4       TRR 170   0.521  -1.570   0.244
 1292    H6   TRR 170           H6       TRR 170   3.097  -6.336   0.186
 1293   1H7   TRR 170          1H7       TRR 170   1.005  -4.924  -1.873
 1294   2H7   TRR 170          2H7       TRR 170  -0.155  -4.858  -0.543
 1295    H12  TRR 170           H12      TRR 170   1.417  -6.988  -2.804
 1296    H16  TRR 170           H16      TRR 170   0.234  -6.735   1.333
 1297   1H17  TRR 170          1H17      TRR 170   1.420  -8.058  -4.187
 1298   2H17  TRR 170          2H17      TRR 170   1.401  -9.632  -4.956
 1299   3H17  TRR 170          3H17      TRR 170   2.887  -9.017  -4.257
 1300   1H18  TRR 170          1H18      TRR 170   2.843 -10.858  -0.062
 1301   2H18  TRR 170          2H18      TRR 170   2.376 -11.892  -1.405
 1302   3H18  TRR 170          3H18      TRR 170   2.032 -12.386   0.246
 1303   1H19  TRR 170          1H19      TRR 170  -0.713  -7.718   2.594
 1304   2H19  TRR 170          2H19      TRR 170   0.728  -8.301   3.407
 1305   3H19  TRR 170          3H19      TRR 170  -0.786  -9.178   3.565
  Start of MODEL    5
    1   1H    THR   1          1H        THR   1  -5.464  10.347   4.306
    2   2H    THR   1          2H        THR   1  -6.685  10.735   3.191
    3   3H    THR   1          3H        THR   1  -5.137  11.416   3.031
    4    HA   THR   1           HA       THR   1  -5.783   8.532   2.758
    5    HB   THR   1           HB       THR   1  -4.960  10.551   0.657
    6    HG1  THR   1           HG1      THR   1  -7.045  10.986   1.179
    7   1HG2  THR   1          1HG2      THR   1  -6.200   7.965  -0.061
    8   2HG2  THR   1          2HG2      THR   1  -4.590   7.849   0.650
    9   3HG2  THR   1          3HG2      THR   1  -4.844   8.810  -0.807
   10    H    ALA   2           HN       ALA   2  -3.996   7.232   2.863
   11    HA   ALA   2           HA       ALA   2  -1.326   8.574   2.771
   12   1HB   ALA   2          1HB       ALA   2  -2.151   6.279   4.576
   13   2HB   ALA   2          2HB       ALA   2  -1.967   7.955   5.094
   14   3HB   ALA   2          3HB       ALA   2  -0.564   7.046   4.532
   15    H    PHE   3           HN       PHE   3   0.383   7.278   1.905
   16    HA   PHE   3           HA       PHE   3  -0.581   5.038   0.180
   17   1HB   PHE   3          2HB       PHE   3   1.715   6.977   0.011
   18   2HB   PHE   3          1HB       PHE   3   1.831   5.425  -0.807
   19    HD1  PHE   3           HD1      PHE   3  -1.584   6.042  -0.873
   20    HD2  PHE   3           HD2      PHE   3   2.066   7.534  -2.574
   21    HE1  PHE   3           HE1      PHE   3  -2.847   6.953  -2.798
   22    HE2  PHE   3           HE2      PHE   3   0.796   8.447  -4.492
   23    HZ   PHE   3           HZ       PHE   3  -1.660   8.155  -4.605
   24    H    LEU   4           HN       LEU   4   0.145   2.962   0.629
   25    HA   LEU   4           HA       LEU   4   2.465   2.715   2.488
   26   1HB   LEU   4          2HB       LEU   4   0.603   2.342   3.924
   27   2HB   LEU   4          1HB       LEU   4  -0.267   1.432   2.694
   28    HG   LEU   4           HG       LEU   4   1.302  -0.421   2.875
   29   1HD1  LEU   4          1HD1      LEU   4   3.201  -0.375   4.385
   30   2HD1  LEU   4          2HD1      LEU   4   2.734   1.212   4.999
   31   3HD1  LEU   4          3HD1      LEU   4   3.310   1.042   3.339
   32   1HD2  LEU   4          1HD2      LEU   4  -0.250  -0.895   4.496
   33   2HD2  LEU   4          2HD2      LEU   4  -0.066   0.677   5.275
   34   3HD2  LEU   4          3HD2      LEU   4   1.108  -0.603   5.583
   35    H    TRP   5           HN       TRP   5   3.899   1.950   0.914
   36    HA   TRP   5           HA       TRP   5   3.215  -0.713  -0.201
   37   1HB   TRP   5          2HB       TRP   5   3.882  -0.150  -2.430
   38   2HB   TRP   5          1HB       TRP   5   2.736   1.086  -1.923
   39    HD1  TRP   5           HD1      TRP   5   6.120   0.665  -3.314
   40    HE1  TRP   5           HE1      TRP   5   7.390   2.909  -3.314
   41    HE3  TRP   5           HE3      TRP   5   3.055   3.414  -0.291
   42    HZ2  TRP   5           HZ2      TRP   5   7.139   5.524  -2.180
   43    HZ3  TRP   5           HZ3      TRP   5   3.595   5.776   0.231
   44    HH2  TRP   5           HH2      TRP   5   5.631   6.833  -0.709
   45    H    ALA   6           HN       ALA   6   5.343  -1.520  -1.413
   46    HA   ALA   6           HA       ALA   6   7.720  -0.751   0.222
   47   1HB   ALA   6          1HB       ALA   6   6.957  -2.792   1.236
   48   2HB   ALA   6          2HB       ALA   6   8.318  -3.229   0.204
   49   3HB   ALA   6          3HB       ALA   6   6.668  -3.537  -0.336
   50    H    GLN   7           HN       GLN   7   9.602  -0.632  -0.992
   51    HA   GLN   7           HA       GLN   7   9.556  -1.782  -3.725
   52   1HB   GLN   7          2HB       GLN   7  10.430   0.391  -4.641
   53   2HB   GLN   7          1HB       GLN   7   8.758   0.467  -4.088
   54   1HG   GLN   7          2HG       GLN   7   9.256   1.986  -2.493
   55   2HG   GLN   7          1HG       GLN   7  10.642   1.049  -1.934
   56   1HE2  GLN   7          1HE2      GLN   7   9.733   3.090  -4.780
   57   2HE2  GLN   7          2HE2      GLN   7  11.260   3.816  -4.925
   58    H    ASP   8           HN       ASP   8  11.671  -1.972  -4.685
   59    HA   ASP   8           HA       ASP   8  13.754  -2.371  -2.649
   60   1HB   ASP   8          2HB       ASP   8  15.025  -3.404  -4.521
   61   2HB   ASP   8          1HB       ASP   8  13.421  -4.110  -4.337
   62    H    ARG   9           HN       ARG   9  16.062  -1.871  -4.064
   63    HA   ARG   9           HA       ARG   9  16.472   0.900  -3.637
   64   1HB   ARG   9          2HB       ARG   9  18.591   0.565  -4.943
   65   2HB   ARG   9          1HB       ARG   9  18.353  -0.616  -3.657
   66   1HG   ARG   9          2HG       ARG   9  18.757  -2.152  -5.280
   67   2HG   ARG   9          1HG       ARG   9  17.090  -1.844  -5.762
   68   1HD   ARG   9          2HD       ARG   9  18.535  -1.628  -7.712
   69   2HD   ARG   9          1HD       ARG   9  17.908  -0.042  -7.286
   70    HE   ARG   9           HE       ARG   9  20.103   0.418  -6.189
   71   1HH1  ARG   9          1HH1      ARG   9  19.871  -2.221  -8.451
   72   2HH1  ARG   9          2HH1      ARG   9  21.563  -2.217  -8.797
   73   1HH2  ARG   9          1HH2      ARG   9  22.298   0.400  -6.658
   74   2HH2  ARG   9          2HH2      ARG   9  22.928  -0.748  -7.792
   75    H    ASP  10           HN       ASP  10  15.806  -0.844  -6.702
   76    HA   ASP  10           HA       ASP  10  15.996   1.534  -8.325
   77   1HB   ASP  10          2HB       ASP  10  15.167  -1.285  -8.695
   78   2HB   ASP  10          1HB       ASP  10  14.416  -0.127  -9.793
   79    H    GLY  11           HN       GLY  11  13.396  -0.005  -6.532
   80   1HA   GLY  11          2HA       GLY  11  11.544   1.434  -5.754
   81   2HA   GLY  11          1HA       GLY  11  11.658   2.314  -7.275
   82    H    LEU  12           HN       LEU  12  11.619  -1.213  -6.803
   83    HA   LEU  12           HA       LEU  12   9.366  -1.386  -8.721
   84   1HB   LEU  12          2HB       LEU  12  11.342  -2.879  -8.988
   85   2HB   LEU  12          1HB       LEU  12  11.005  -3.573  -7.403
   86    HG   LEU  12           HG       LEU  12   8.701  -4.176  -8.276
   87   1HD1  LEU  12          1HD1      LEU  12   8.100  -3.781 -10.438
   88   2HD1  LEU  12          2HD1      LEU  12   9.731  -4.064 -11.049
   89   3HD1  LEU  12          3HD1      LEU  12   9.314  -2.505 -10.335
   90   1HD2  LEU  12          1HD2      LEU  12   9.789  -6.146  -8.350
   91   2HD2  LEU  12          2HD2      LEU  12  11.290  -5.376  -8.860
   92   3HD2  LEU  12          3HD2      LEU  12  10.078  -5.831 -10.060
   93    H    ILE  13           HN       ILE  13   7.421  -2.661  -8.138
   94    HA   ILE  13           HA       ILE  13   7.013  -2.785  -5.182
   95    HB   ILE  13           HB       ILE  13   4.481  -2.478  -5.979
   96   1HG1  ILE  13          2HG1      ILE  13   5.644  -0.485  -7.834
   97   2HG1  ILE  13          1HG1      ILE  13   5.680  -2.151  -8.401
   98   1HG2  ILE  13          1HG2      ILE  13   4.630  -0.453  -4.936
   99   2HG2  ILE  13          2HG2      ILE  13   5.986   0.078  -5.932
  100   3HG2  ILE  13          3HG2      ILE  13   6.263  -1.012  -4.573
  101   1HD1  ILE  13          1HD1      ILE  13   3.319  -2.384  -8.203
  102   2HD1  ILE  13          2HD1      ILE  13   3.572  -0.816  -8.971
  103   3HD1  ILE  13          3HD1      ILE  13   3.181  -0.904  -7.254
  104    H    GLY  14           HN       GLY  14   5.306  -3.964  -8.138
  105   1HA   GLY  14          2HA       GLY  14   5.587  -6.715  -7.009
  106   2HA   GLY  14          1HA       GLY  14   3.972  -6.123  -7.392
  107    H    LYS  15           HN       LYS  15   6.051  -8.198  -8.586
  108    HA   LYS  15           HA       LYS  15   5.682  -7.309 -11.415
  109   1HB   LYS  15          2HB       LYS  15   8.058  -7.502 -10.626
  110   2HB   LYS  15          1HB       LYS  15   7.769  -9.213 -10.312
  111   1HG   LYS  15          2HG       LYS  15   6.987  -9.336 -12.772
  112   2HG   LYS  15          1HG       LYS  15   7.779  -7.771 -12.962
  113   1HD   LYS  15          2HD       LYS  15   9.599  -9.080 -13.432
  114   2HD   LYS  15          1HD       LYS  15   9.742  -9.110 -11.674
  115   1HE   LYS  15          2HE       LYS  15   8.908 -11.267 -11.503
  116   2HE   LYS  15          1HE       LYS  15   7.978 -11.137 -12.997
  117   1HZ   LYS  15          1HE       LYS  15   9.994 -11.256 -14.266
  118   2HZ   LYS  15          2HE       LYS  15   9.941 -12.581 -13.203
  119   3HZ   LYS  15          3HE       LYS  15  10.942 -11.252 -12.860
  120    H    ASP  16           HN       ASP  16   4.336  -8.569 -12.600
  121    HA   ASP  16           HA       ASP  16   2.921 -10.338 -13.165
  122   1HB   ASP  16          2HB       ASP  16   5.356 -11.770 -12.093
  123   2HB   ASP  16          1HB       ASP  16   3.997 -12.626 -12.824
  124    H    GLY  17           HN       GLY  17   2.019  -9.219 -10.790
  125   1HA   GLY  17          2HA       GLY  17   0.455  -9.831  -9.162
  126   2HA   GLY  17          1HA       GLY  17   0.732 -11.517  -9.579
  127    H    HIS  18           HN       HIS  18   2.652 -12.556  -8.638
  128    HA   HIS  18           HA       HIS  18   2.858 -12.182  -5.858
  129   1HB   HIS  18          2HB       HIS  18   4.855 -13.670  -6.004
  130   2HB   HIS  18          1HB       HIS  18   3.482 -14.279  -6.926
  131    HD1  HIS  18           HD1      HIS  18   6.825 -12.579  -7.384
  132    HD2  HIS  18           HD2      HIS  18   3.886 -14.405  -9.709
  133    HE1  HIS  18           HE1      HIS  18   7.798 -12.818  -9.710
  134    H    LEU  19           HN       LEU  19   5.491 -12.130  -5.117
  135    HA   LEU  19           HA       LEU  19   6.382  -9.396  -5.934
  136   1HB   LEU  19          2HB       LEU  19   6.195 -10.735  -3.256
  137   2HB   LEU  19          1HB       LEU  19   7.498  -9.578  -3.529
  138    HG   LEU  19           HG       LEU  19   4.684  -8.852  -4.291
  139   1HD1  LEU  19          1HD1      LEU  19   4.982  -9.734  -1.820
  140   2HD1  LEU  19          2HD1      LEU  19   4.087  -8.245  -2.124
  141   3HD1  LEU  19          3HD1      LEU  19   5.761  -8.170  -1.574
  142   1HD2  LEU  19          1HD2      LEU  19   7.160  -7.349  -3.391
  143   2HD2  LEU  19          2HD2      LEU  19   5.595  -6.583  -3.665
  144   3HD2  LEU  19          3HD2      LEU  19   6.447  -7.352  -5.004
  145    HA   PRO  20           HA       PRO  20  10.263 -11.276  -6.975
  146   1HB   PRO  20          2HB       PRO  20  11.827  -8.969  -6.390
  147   2HB   PRO  20          1HB       PRO  20  11.146  -9.436  -7.955
  148   1HG   PRO  20          2HG       PRO  20  10.399  -7.216  -6.427
  149   2HG   PRO  20          1HG       PRO  20   9.518  -7.885  -7.807
  150   1HD   PRO  20          2HD       PRO  20   8.964  -8.173  -4.903
  151   2HD   PRO  20          1HD       PRO  20   7.848  -8.231  -6.286
  152    H    TRP  21           HN       TRP  21  10.224  -9.391  -3.956
  153    HA   TRP  21           HA       TRP  21  12.372 -11.171  -2.900
  154   1HB   TRP  21          2HB       TRP  21  12.650  -9.408  -1.158
  155   2HB   TRP  21          1HB       TRP  21  12.894  -8.788  -2.790
  156    HD1  TRP  21           HD1      TRP  21  10.348  -8.782   0.065
  157    HE1  TRP  21           HE1      TRP  21   8.706  -6.829  -0.294
  158    HE3  TRP  21           HE3      TRP  21  11.880  -7.172  -4.539
  159    HZ2  TRP  21           HZ2      TRP  21   8.120  -4.844  -2.265
  160    HZ3  TRP  21           HZ3      TRP  21  10.759  -5.245  -5.629
  161    HH2  TRP  21           HH2      TRP  21   8.885  -4.081  -4.499
  162    H    HIS  22           HN       HIS  22  11.847 -12.631  -1.347
  163    HA   HIS  22           HA       HIS  22   9.090 -12.613  -0.262
  164   1HB   HIS  22          2HB       HIS  22  10.349 -14.709  -1.151
  165   2HB   HIS  22          1HB       HIS  22  11.225 -14.652   0.379
  166    HD1  HIS  22           HD1      HIS  22   8.252 -16.046  -1.074
  167    HD2  HIS  22           HD2      HIS  22   9.227 -14.525   2.683
  168    HE1  HIS  22           HE1      HIS  22   6.501 -16.925   0.532
  169    H    LEU  23           HN       LEU  23   9.050 -11.023   1.341
  170    HA   LEU  23           HA       LEU  23  10.995 -11.384   3.586
  171   1HB   LEU  23          2HB       LEU  23  11.446  -9.315   2.252
  172   2HB   LEU  23          1HB       LEU  23   9.813  -8.761   2.620
  173    HG   LEU  23           HG       LEU  23  10.366  -8.908   5.057
  174   1HD1  LEU  23          1HD1      LEU  23  12.227  -9.971   5.731
  175   2HD1  LEU  23          2HD1      LEU  23  13.223  -8.838   4.820
  176   3HD1  LEU  23          3HD1      LEU  23  12.630 -10.308   4.048
  177   1HD2  LEU  23          1HD2      LEU  23  10.911  -6.899   3.298
  178   2HD2  LEU  23          2HD2      LEU  23  12.515  -7.165   3.981
  179   3HD2  LEU  23          3HD2      LEU  23  11.164  -6.757   5.039
  180    HA   PRO  24           HA       PRO  24   6.957 -12.098   5.544
  181   1HB   PRO  24          2HB       PRO  24   8.294 -13.048   7.868
  182   2HB   PRO  24          1HB       PRO  24   7.502 -14.009   6.614
  183   1HG   PRO  24          2HG       PRO  24  10.286 -13.800   7.151
  184   2HG   PRO  24          1HG       PRO  24   9.494 -14.706   5.855
  185   1HD   PRO  24          2HD       PRO  24  10.972 -12.213   5.690
  186   2HD   PRO  24          1HD       PRO  24  10.373 -13.241   4.380
  187    H    ASP  25           HN       ASP  25   9.804 -10.535   6.953
  188    HA   ASP  25           HA       ASP  25   8.429  -9.300   9.162
  189   1HB   ASP  25          2HB       ASP  25  10.986  -9.568   8.740
  190   2HB   ASP  25          1HB       ASP  25  10.827  -8.083   7.800
  191    H    ASP  26           HN       ASP  26   8.676  -8.549   5.769
  192    HA   ASP  26           HA       ASP  26   7.856  -5.766   6.052
  193   1HB   ASP  26          2HB       ASP  26   9.166  -6.426   4.109
  194   2HB   ASP  26          1HB       ASP  26   7.953  -7.620   3.652
  195    H    LEU  27           HN       LEU  27   6.248  -8.823   5.117
  196    HA   LEU  27           HA       LEU  27   3.683  -7.784   4.554
  197   1HB   LEU  27          2HB       LEU  27   4.455 -10.404   5.880
  198   2HB   LEU  27          1HB       LEU  27   2.840 -10.037   5.272
  199    HG   LEU  27           HG       LEU  27   5.236  -9.735   3.477
  200   1HD1  LEU  27          1HD1      LEU  27   3.817 -12.245   3.105
  201   2HD1  LEU  27          2HD1      LEU  27   4.541 -12.162   4.711
  202   3HD1  LEU  27          3HD1      LEU  27   5.549 -11.960   3.279
  203   1HD2  LEU  27          1HD2      LEU  27   3.657  -9.736   1.767
  204   2HD2  LEU  27          2HD2      LEU  27   2.724  -8.994   3.067
  205   3HD2  LEU  27          3HD2      LEU  27   2.507 -10.704   2.691
  206    H    HIS  28           HN       HIS  28   5.080  -8.791   7.683
  207    HA   HIS  28           HA       HIS  28   2.797  -8.260   9.297
  208   1HB   HIS  28          2HB       HIS  28   5.734  -7.948  10.006
  209   2HB   HIS  28          1HB       HIS  28   4.408  -8.050  11.164
  210    HD1  HIS  28           HD1      HIS  28   2.857 -10.302   9.465
  211    HD2  HIS  28           HD2      HIS  28   6.817 -10.472  10.758
  212    HE1  HIS  28           HE1      HIS  28   3.479 -12.755   9.546
  213    H    TYR  29           HN       TYR  29   5.386  -6.146   8.113
  214    HA   TYR  29           HA       TYR  29   4.638  -3.805   9.592
  215   1HB   TYR  29          2HB       TYR  29   6.782  -4.146   8.265
  216   2HB   TYR  29          1HB       TYR  29   5.834  -3.849   6.808
  217    HD1  TYR  29           HD1      TYR  29   6.438  -2.348  10.195
  218    HD2  TYR  29           HD2      TYR  29   5.653  -1.660   6.028
  219    HE1  TYR  29           HE1      TYR  29   6.640   0.097  10.561
  220    HE2  TYR  29           HE2      TYR  29   5.855   0.785   6.394
  221    HH   TYR  29           HH       TYR  29   5.690   2.393   8.188
  222    H    PHE  30           HN       PHE  30   3.509  -5.220   6.579
  223    HA   PHE  30           HA       PHE  30   1.892  -2.992   5.725
  224   1HB   PHE  30          2HB       PHE  30   2.521  -4.780   4.169
  225   2HB   PHE  30          1HB       PHE  30   1.633  -5.958   5.134
  226    HD1  PHE  30           HD1      PHE  30   0.873  -2.498   3.872
  227    HD2  PHE  30           HD2      PHE  30  -0.338  -6.613   4.092
  228    HE1  PHE  30           HE1      PHE  30  -1.203  -1.955   2.627
  229    HE2  PHE  30           HE2      PHE  30  -2.413  -6.069   2.846
  230    HZ   PHE  30           HZ       PHE  30  -2.842  -3.740   2.112
  231    H    ARG  31           HN       ARG  31   1.110  -5.993   7.512
  232    HA   ARG  31           HA       ARG  31  -1.657  -5.400   7.891
  233   1HB   ARG  31          2HB       ARG  31  -0.020  -7.521   8.482
  234   2HB   ARG  31          1HB       ARG  31  -0.309  -6.848  10.086
  235   1HG   ARG  31          2HG       ARG  31  -2.818  -6.751   9.213
  236   2HG   ARG  31          1HG       ARG  31  -2.253  -8.038   8.150
  237   1HD   ARG  31          2HD       ARG  31  -1.936  -8.048  11.164
  238   2HD   ARG  31          1HD       ARG  31  -3.203  -8.901  10.291
  239    HE   ARG  31           HE       ARG  31  -1.520 -10.381   9.360
  240   1HH1  ARG  31          1HH2      ARG  31  -0.310  -8.051  11.646
  241   2HH1  ARG  31          2HH2      ARG  31   1.154  -8.925  11.927
  242   1HH2  ARG  31          1HH1      ARG  31   0.389 -11.491   9.737
  243   2HH2  ARG  31          2HH1      ARG  31   1.549 -10.857  10.856
  244    H    ALA  32           HN       ALA  32   0.964  -5.176  10.306
  245    HA   ALA  32           HA       ALA  32  -0.382  -3.760  12.292
  246   1HB   ALA  32          1HB       ALA  32   1.659  -3.663  13.253
  247   2HB   ALA  32          2HB       ALA  32   2.325  -2.725  11.916
  248   3HB   ALA  32          3HB       ALA  32   2.260  -4.485  11.813
  249    H    GLN  33           HN       GLN  33   1.133  -2.423   9.357
  250    HA   GLN  33           HA       GLN  33   0.687   0.333  10.091
  251   1HB   GLN  33          2HB       GLN  33   1.324  -1.088   7.510
  252   2HB   GLN  33          1HB       GLN  33   0.985   0.643   7.533
  253   1HG   GLN  33          2HG       GLN  33   2.884  -0.253   9.608
  254   2HG   GLN  33          1HG       GLN  33   3.464  -0.449   7.954
  255   1HE2  GLN  33          1HE2      GLN  33   1.516   2.082   9.658
  256   2HE2  GLN  33          2HE2      GLN  33   2.451   3.381   9.093
  257    H    THR  34           HN       THR  34  -1.413  -2.127   8.904
  258    HA   THR  34           HA       THR  34  -3.420  -0.022   8.188
  259    HB   THR  34           HB       THR  34  -4.499  -1.834   6.790
  260    HG1  THR  34           HG1      THR  34  -2.672  -3.305   8.008
  261   1HG2  THR  34          1HG2      THR  34  -3.208  -1.287   4.942
  262   2HG2  THR  34          2HG2      THR  34  -1.691  -1.426   5.830
  263   3HG2  THR  34          3HG2      THR  34  -2.729  -0.019   6.071
  264    H    VAL  35           HN       VAL  35  -2.860  -1.261  10.863
  265    HA   VAL  35           HA       VAL  35  -5.104  -3.056  11.384
  266    HB   VAL  35           HB       VAL  35  -4.481  -2.705  13.784
  267   1HG1  VAL  35          1HG1      VAL  35  -1.992  -3.486  13.383
  268   2HG1  VAL  35          2HG1      VAL  35  -2.494  -3.522  11.692
  269   3HG1  VAL  35          3HG1      VAL  35  -3.335  -4.515  12.883
  270   1HG2  VAL  35          1HG2      VAL  35  -3.129  -0.420  12.608
  271   2HG2  VAL  35          2HG2      VAL  35  -1.991  -1.416  13.516
  272   3HG2  VAL  35          3HG2      VAL  35  -3.432  -0.779  14.307
  273    H    GLY  36           HN       GLY  36  -7.168  -2.266  11.344
  274   1HA   GLY  36          2HA       GLY  36  -8.993  -0.944  12.002
  275   2HA   GLY  36          1HA       GLY  36  -7.903  -0.037  13.047
  276    H    LYS  37           HN       LYS  37  -6.834  -0.243   9.783
  277    HA   LYS  37           HA       LYS  37  -7.869   2.528   9.316
  278   1HB   LYS  37          2HB       LYS  37  -5.229   1.246   8.591
  279   2HB   LYS  37          1HB       LYS  37  -5.786   2.745   7.848
  280   1HG   LYS  37          2HG       LYS  37  -6.128   3.614  10.243
  281   2HG   LYS  37          1HG       LYS  37  -5.168   2.227  10.759
  282   1HD   LYS  37          2HD       LYS  37  -3.329   2.960   9.266
  283   2HD   LYS  37          1HD       LYS  37  -4.284   4.371   8.806
  284   1HE   LYS  37          2HE       LYS  37  -4.360   5.051  11.209
  285   2HE   LYS  37          1HE       LYS  37  -3.293   3.700  11.591
  286   1HZ   LYS  37          1HE       LYS  37  -2.642   5.862   9.664
  287   2HZ   LYS  37          2HE       LYS  37  -1.608   4.617  10.183
  288   3HZ   LYS  37          3HE       LYS  37  -2.108   5.820  11.274
  289    H    ILE  38           HN       ILE  38  -8.275   3.086   7.030
  290    HA   ILE  38           HA       ILE  38  -9.657   0.951   5.627
  291    HB   ILE  38           HB       ILE  38  -8.924   3.756   4.732
  292   1HG1  ILE  38          2HG1      ILE  38 -11.518   2.665   5.865
  293   2HG1  ILE  38          1HG1      ILE  38 -10.344   3.609   6.781
  294   1HG2  ILE  38          1HG2      ILE  38  -9.875   3.274   2.752
  295   2HG2  ILE  38          2HG2      ILE  38 -11.317   2.651   3.552
  296   3HG2  ILE  38          3HG2      ILE  38  -9.949   1.583   3.243
  297   1HD1  ILE  38          1HD1      ILE  38 -12.085   5.106   5.982
  298   2HD1  ILE  38          2HD1      ILE  38 -11.871   4.524   4.329
  299   3HD1  ILE  38          3HD1      ILE  38 -10.590   5.452   5.113
  300    H    MET  39           HN       MET  39  -8.604  -0.566   4.414
  301    HA   MET  39           HA       MET  39  -5.983   0.181   3.193
  302   1HB   MET  39          2HB       MET  39  -6.026  -1.797   4.707
  303   2HB   MET  39          1HB       MET  39  -7.187  -2.569   3.627
  304   1HG   MET  39          2HG       MET  39  -5.244  -1.866   1.851
  305   2HG   MET  39          1HG       MET  39  -4.272  -2.168   3.291
  306   1HE   MET  39          1HE       MET  39  -7.720  -3.790   2.185
  307   2HE   MET  39          2HE       MET  39  -7.100  -5.066   1.140
  308   3HE   MET  39          3HE       MET  39  -6.770  -3.379   0.752
  309    H    VAL  40           HN       VAL  40  -6.213   0.845   1.102
  310    HA   VAL  40           HA       VAL  40  -8.400  -0.304  -0.550
  311    HB   VAL  40           HB       VAL  40  -6.483   1.895  -1.348
  312   1HG1  VAL  40          1HG1      VAL  40  -8.604   0.527  -2.644
  313   2HG1  VAL  40          2HG1      VAL  40  -7.734   1.948  -3.218
  314   3HG1  VAL  40          3HG1      VAL  40  -9.205   2.141  -2.265
  315   1HG2  VAL  40          1HG2      VAL  40  -9.075   2.076   0.220
  316   2HG2  VAL  40          2HG2      VAL  40  -8.290   3.456  -0.549
  317   3HG2  VAL  40          3HG2      VAL  40  -7.475   2.592   0.755
  318    H    VAL  41           HN       VAL  41  -7.940  -1.994  -1.852
  319    HA   VAL  41           HA       VAL  41  -5.202  -2.183  -3.041
  320    HB   VAL  41           HB       VAL  41  -5.452  -4.692  -2.848
  321   1HG1  VAL  41          1HG1      VAL  41  -5.184  -4.596  -0.226
  322   2HG1  VAL  41          2HG1      VAL  41  -5.198  -2.854  -0.493
  323   3HG1  VAL  41          3HG1      VAL  41  -3.969  -3.854  -1.265
  324   1HG2  VAL  41          1HG2      VAL  41  -7.961  -4.560  -2.510
  325   2HG2  VAL  41          2HG2      VAL  41  -7.637  -3.986  -0.869
  326   3HG2  VAL  41          3HG2      VAL  41  -7.112  -5.601  -1.362
  327    H    GLY  42           HN       GLY  42  -5.248  -2.463  -5.247
  328   1HA   GLY  42          2HA       GLY  42  -7.611  -2.249  -6.765
  329   2HA   GLY  42          1HA       GLY  42  -6.088  -2.876  -7.396
  330    H    ARG  43           HN       ARG  43  -9.018  -3.745  -7.675
  331    HA   ARG  43           HA       ARG  43  -9.580  -6.159  -6.391
  332   1HB   ARG  43          2HB       ARG  43 -11.065  -4.919  -8.010
  333   2HB   ARG  43          1HB       ARG  43 -10.114  -5.611  -9.322
  334   1HG   ARG  43          2HG       ARG  43 -11.098  -7.535  -7.290
  335   2HG   ARG  43          1HG       ARG  43 -12.335  -6.794  -8.304
  336   1HD   ARG  43          2HD       ARG  43  -9.835  -8.079  -9.430
  337   2HD   ARG  43          1HD       ARG  43 -11.350  -8.949  -9.216
  338    HE   ARG  43           HE       ARG  43 -11.760  -6.512 -10.717
  339   1HH1  ARG  43          1HH2      ARG  43 -10.567  -9.768 -10.880
  340   2HH1  ARG  43          2HH2      ARG  43 -10.865  -9.921 -12.578
  341   1HH2  ARG  43          1HH1      ARG  43 -12.144  -6.726 -12.936
  342   2HH2  ARG  43          2HH1      ARG  43 -11.754  -8.211 -13.734
  343    H    ARG  44           HN       ARG  44  -7.049  -5.588  -8.737
  344    HA   ARG  44           HA       ARG  44  -6.885  -8.448  -9.435
  345   1HB   ARG  44          2HB       ARG  44  -5.675  -5.961 -10.379
  346   2HB   ARG  44          1HB       ARG  44  -4.528  -7.298 -10.304
  347   1HG   ARG  44          2HG       ARG  44  -6.703  -8.538 -11.399
  348   2HG   ARG  44          1HG       ARG  44  -6.873  -6.915 -12.067
  349   1HD   ARG  44          2HD       ARG  44  -4.115  -7.929 -12.146
  350   2HD   ARG  44          1HD       ARG  44  -5.247  -8.884 -13.103
  351    HE   ARG  44           HE       ARG  44  -5.555  -6.030 -13.560
  352   1HH1  ARG  44          1HH1      ARG  44  -3.741  -8.880 -14.361
  353   2HH1  ARG  44          2HH1      ARG  44  -3.268  -8.285 -15.914
  354   1HH2  ARG  44          1HH2      ARG  44  -4.932  -5.266 -15.582
  355   2HH2  ARG  44          2HH2      ARG  44  -3.937  -6.250 -16.603
  356    H    THR  45           HN       THR  45  -5.030  -6.110  -7.483
  357    HA   THR  45           HA       THR  45  -3.083  -8.076  -6.611
  358    HB   THR  45           HB       THR  45  -3.891  -5.623  -5.037
  359    HG1  THR  45           HG1      THR  45  -2.538  -5.846  -7.482
  360   1HG2  THR  45          1HG2      THR  45  -1.736  -5.748  -4.131
  361   2HG2  THR  45          2HG2      THR  45  -1.118  -6.702  -5.481
  362   3HG2  THR  45          3HG2      THR  45  -2.179  -7.448  -4.284
  363    H    TYR  46           HN       TYR  46  -6.091  -6.762  -5.238
  364    HA   TYR  46           HA       TYR  46  -6.101  -8.196  -2.789
  365   1HB   TYR  46          2HB       TYR  46  -7.773  -6.458  -3.291
  366   2HB   TYR  46          1HB       TYR  46  -8.470  -7.479  -4.549
  367    HD1  TYR  46           HD1      TYR  46  -9.936  -9.298  -4.015
  368    HD2  TYR  46           HD2      TYR  46  -7.885  -7.187  -0.888
  369    HE1  TYR  46           HE1      TYR  46 -11.339 -10.442  -2.320
  370    HE2  TYR  46           HE2      TYR  46  -9.288  -8.327   0.806
  371    HH   TYR  46           HH       TYR  46 -11.845 -10.619  -0.157
  372    H    GLU  47           HN       GLU  47  -7.190  -9.170  -6.030
  373    HA   GLU  47           HA       GLU  47  -8.109 -11.789  -5.193
  374   1HB   GLU  47          2HB       GLU  47  -7.489 -10.500  -7.845
  375   2HB   GLU  47          1HB       GLU  47  -7.818 -12.231  -7.751
  376   1HG   GLU  47          HG2       GLU  47  -9.918 -11.535  -6.386
  377   2HG   GLU  47          HG1       GLU  47  -9.642  -9.931  -7.066
  378    H    SER  48           HN       SER  48  -5.021 -10.419  -5.684
  379    HA   SER  48           HA       SER  48  -3.763 -13.071  -6.159
  380   1HB   SER  48          2HB       SER  48  -1.846 -11.929  -6.875
  381   2HB   SER  48          1HB       SER  48  -3.136 -10.862  -7.421
  382    HG   SER  48           HG       SER  48  -2.830  -9.778  -5.330
  383    H    PHE  49           HN       PHE  49  -4.336 -10.696  -3.698
  384    HA   PHE  49           HA       PHE  49  -2.306 -10.950  -1.846
  385   1HB   PHE  49          2HB       PHE  49  -5.206 -10.515  -1.711
  386   2HB   PHE  49          1HB       PHE  49  -4.555 -11.260  -0.256
  387    HD1  PHE  49           HD1      PHE  49  -4.242  -8.328  -2.523
  388    HD2  PHE  49           HD2      PHE  49  -3.211 -10.033   1.279
  389    HE1  PHE  49           HE1      PHE  49  -3.409  -6.122  -1.756
  390    HE2  PHE  49           HE2      PHE  49  -2.375  -7.834   2.042
  391    HZ   PHE  49           HZ       PHE  49  -2.471  -5.876   0.525
  392    HA   PRO  50           HA       PRO  50  -2.177 -15.198  -0.505
  393   1HB   PRO  50          2HB       PRO  50  -1.243 -14.695   2.093
  394   2HB   PRO  50          1HB       PRO  50  -0.245 -14.879   0.643
  395   1HG   PRO  50          2HG       PRO  50  -0.662 -12.521   2.191
  396   2HG   PRO  50          1HG       PRO  50   0.297 -12.700   0.715
  397   1HD   PRO  50          2HD       PRO  50  -2.381 -11.557   1.055
  398   2HD   PRO  50          1HD       PRO  50  -1.250 -11.379  -0.295
  399    H    LYS  51           HN       LYS  51  -3.172 -13.211   2.324
  400    HA   LYS  51           HA       LYS  51  -5.445 -15.127   2.695
  401   1HB   LYS  51          2HB       LYS  51  -3.769 -13.685   4.766
  402   2HB   LYS  51          1HB       LYS  51  -5.247 -14.572   5.142
  403   1HG   LYS  51          2HG       LYS  51  -3.881 -16.419   3.650
  404   2HG   LYS  51          1HG       LYS  51  -2.559 -15.592   4.474
  405   1HD   LYS  51          2HD       LYS  51  -3.027 -16.956   6.223
  406   2HD   LYS  51          1HD       LYS  51  -4.413 -15.901   6.497
  407   1HE   LYS  51          2HE       LYS  51  -5.713 -17.719   6.182
  408   2HE   LYS  51          1HE       LYS  51  -5.269 -17.630   4.478
  409   1HZ   LYS  51          1HE       LYS  51  -3.419 -18.934   6.341
  410   2HZ   LYS  51          2HE       LYS  51  -3.707 -19.256   4.698
  411   3HZ   LYS  51          3HE       LYS  51  -4.816 -19.776   5.876
  412    H    ARG  52           HN       ARG  52  -7.208 -14.009   1.939
  413    HA   ARG  52           HA       ARG  52  -7.600 -11.235   3.000
  414   1HB   ARG  52          2HB       ARG  52  -8.902 -12.219   0.466
  415   2HB   ARG  52          1HB       ARG  52  -8.607 -10.559   0.982
  416   1HG   ARG  52          2HG       ARG  52  -6.799 -10.655  -0.382
  417   2HG   ARG  52          1HG       ARG  52  -6.059 -11.599   0.912
  418   1HD   ARG  52          2HD       ARG  52  -5.845 -12.809  -1.202
  419   2HD   ARG  52          1HD       ARG  52  -6.951 -13.677  -0.136
  420    HE   ARG  52           HE       ARG  52  -8.518 -11.932  -1.718
  421   1HH1  ARG  52          1HH1      ARG  52  -6.421 -14.673  -2.078
  422   2HH1  ARG  52          2HH1      ARG  52  -7.239 -15.262  -3.485
  423   1HH2  ARG  52          1HH2      ARG  52  -9.574 -12.706  -3.546
  424   2HH2  ARG  52          2HH2      ARG  52  -9.015 -14.155  -4.313
  425    HA   PRO  53           HA       PRO  53  -8.924  -9.844   3.377
  426   1HB   PRO  53          2HB       PRO  53 -10.590  -8.940   5.396
  427   2HB   PRO  53          1HB       PRO  53 -10.967  -8.860   3.669
  428   1HG   PRO  53          2HG       PRO  53 -12.231 -10.461   5.696
  429   2HG   PRO  53          1HG       PRO  53 -12.651 -10.319   3.983
  430   1HD   PRO  53          2HD       PRO  53 -11.151 -12.442   5.350
  431   2HD   PRO  53          1HD       PRO  53 -11.919 -12.460   3.752
  432    H    LEU  54           HN       LEU  54  -8.141  -8.491   5.368
  433    HA   LEU  54           HA       LEU  54  -6.522 -10.248   7.038
  434   1HB   LEU  54          2HB       LEU  54  -6.885  -7.239   7.019
  435   2HB   LEU  54          1HB       LEU  54  -5.742  -8.083   8.064
  436    HG   LEU  54           HG       LEU  54  -5.722  -8.598   5.102
  437   1HD1  LEU  54          1HD1      LEU  54  -5.125  -6.064   6.400
  438   2HD1  LEU  54          2HD1      LEU  54  -5.155  -6.458   4.681
  439   3HD1  LEU  54          3HD1      LEU  54  -3.690  -6.733   5.622
  440   1HD2  LEU  54          1HD2      LEU  54  -4.266  -9.513   7.335
  441   2HD2  LEU  54          2HD2      LEU  54  -3.179  -8.413   6.488
  442   3HD2  LEU  54          3HD2      LEU  54  -3.881  -9.788   5.636
  443    HA   PRO  55           HA       PRO  55  -9.225 -10.580  10.531
  444   1HB   PRO  55          2HB       PRO  55  -7.194 -10.906  12.453
  445   2HB   PRO  55          1HB       PRO  55  -7.988 -12.187  11.529
  446   1HG   PRO  55          2HG       PRO  55  -5.288 -11.266  11.317
  447   2HG   PRO  55          1HG       PRO  55  -6.079 -12.564  10.414
  448   1HD   PRO  55          2HD       PRO  55  -5.405  -9.879   9.528
  449   2HD   PRO  55          1HD       PRO  55  -5.976 -11.257   8.575
  450    H    GLU  56           HN       GLU  56 -10.151  -9.185  11.980
  451    HA   GLU  56           HA       GLU  56 -10.535  -7.141  13.081
  452   1HB   GLU  56          2HB       GLU  56  -7.778  -7.982  13.968
  453   2HB   GLU  56          1HB       GLU  56  -8.531  -6.516  14.596
  454   1HG   GLU  56          HG2       GLU  56  -9.979  -7.681  15.895
  455   2HG   GLU  56          HG1       GLU  56 -10.325  -8.844  14.615
  456    H    ARG  57           HN       ARG  57  -9.667  -6.820  10.362
  457    HA   ARG  57           HA       ARG  57  -8.421  -4.129  10.616
  458   1HB   ARG  57          2HB       ARG  57  -7.313  -6.479   9.174
  459   2HB   ARG  57          1HB       ARG  57  -7.248  -4.938   8.319
  460   1HG   ARG  57          2HG       ARG  57  -5.458  -4.361   9.555
  461   2HG   ARG  57          1HG       ARG  57  -6.474  -4.403  10.995
  462   1HD   ARG  57          2HD       ARG  57  -5.879  -7.101  10.331
  463   2HD   ARG  57          1HD       ARG  57  -4.366  -6.203  10.244
  464    HE   ARG  57           HE       ARG  57  -5.460  -5.333  12.616
  465   1HH1  ARG  57          1HH2      ARG  57  -4.834  -8.452  11.222
  466   2HH1  ARG  57          2HH2      ARG  57  -4.569  -9.211  12.754
  467   1HH2  ARG  57          1HH1      ARG  57  -5.116  -6.334  14.599
  468   2HH2  ARG  57          2HH1      ARG  57  -4.728  -8.021  14.655
  469    H    THR  58           HN       THR  58  -9.363  -2.635   9.278
  470    HA   THR  58           HA       THR  58 -11.676  -3.501   7.688
  471    HB   THR  58           HB       THR  58 -10.542  -0.702   7.916
  472    HG1  THR  58           HG1      THR  58 -11.113  -0.795   9.916
  473   1HG2  THR  58          1HG2      THR  58 -12.436  -0.040   6.869
  474   2HG2  THR  58          2HG2      THR  58 -13.441  -1.146   7.805
  475   3HG2  THR  58          3HG2      THR  58 -12.589  -1.726   6.374
  476    H    ASN  59           HN       ASN  59 -11.510  -4.012   5.570
  477    HA   ASN  59           HA       ASN  59  -9.275  -2.786   4.006
  478   1HB   ASN  59          2HB       ASN  59 -10.360  -5.613   3.836
  479   2HB   ASN  59          1HB       ASN  59  -9.149  -4.931   2.749
  480   1HD2  ASN  59          1HD2      ASN  59  -9.739  -5.713   6.196
  481   2HD2  ASN  59          2HD2      ASN  59  -8.098  -5.831   6.612
  482    H    VAL  60           HN       VAL  60  -9.803  -2.055   1.954
  483    HA   VAL  60           HA       VAL  60 -12.654  -2.390   1.108
  484    HB   VAL  60           HB       VAL  60 -10.869   0.041   0.739
  485   1HG1  VAL  60          1HG1      VAL  60 -13.425   0.853   0.256
  486   2HG1  VAL  60          2HG1      VAL  60 -13.487  -0.799  -0.359
  487   3HG1  VAL  60          3HG1      VAL  60 -12.306   0.339  -1.006
  488   1HG2  VAL  60          1HG2      VAL  60 -11.722   0.887   2.658
  489   2HG2  VAL  60          2HG2      VAL  60 -12.221  -0.761   3.033
  490   3HG2  VAL  60          3HG2      VAL  60 -13.353   0.350   2.263
  491    H    VAL  61           HN       VAL  61 -12.904  -3.102  -1.007
  492    HA   VAL  61           HA       VAL  61 -10.395  -3.484  -2.560
  493    HB   VAL  61           HB       VAL  61 -13.118  -4.696  -3.102
  494   1HG1  VAL  61          1HG1      VAL  61 -11.777  -6.348  -4.354
  495   2HG1  VAL  61          2HG1      VAL  61 -10.304  -5.477  -3.926
  496   3HG1  VAL  61          3HG1      VAL  61 -11.504  -4.718  -4.971
  497   1HG2  VAL  61          1HG2      VAL  61 -10.814  -6.019  -1.651
  498   2HG2  VAL  61          2HG2      VAL  61 -12.464  -6.615  -1.832
  499   3HG2  VAL  61          3HG2      VAL  61 -12.137  -5.226  -0.796
  500    H    LEU  62           HN       LEU  62 -10.335  -2.864  -4.782
  501    HA   LEU  62           HA       LEU  62 -12.394  -0.838  -5.552
  502   1HB   LEU  62          2HB       LEU  62  -9.754  -0.324  -5.096
  503   2HB   LEU  62          1HB       LEU  62  -9.704  -0.725  -6.810
  504    HG   LEU  62           HG       LEU  62 -11.350   0.991  -7.317
  505   1HD1  LEU  62          1HD1      LEU  62 -12.882   1.438  -5.711
  506   2HD1  LEU  62          2HD1      LEU  62 -11.658   2.480  -4.982
  507   3HD1  LEU  62          3HD1      LEU  62 -11.834   0.810  -4.436
  508   1HD2  LEU  62          1HD2      LEU  62  -9.310   2.072  -7.382
  509   2HD2  LEU  62          2HD2      LEU  62  -8.929   1.672  -5.708
  510   3HD2  LEU  62          3HD2      LEU  62 -10.051   2.983  -6.067
  511    H    THR  63           HN       THR  63 -13.597  -1.555  -7.272
  512    HA   THR  63           HA       THR  63 -12.211  -3.099  -9.400
  513    HB   THR  63           HB       THR  63 -13.139  -4.800  -7.889
  514    HG1  THR  63           HG1      THR  63 -13.266  -5.272 -10.065
  515   1HG2  THR  63          1HG2      THR  63 -15.230  -4.705  -6.980
  516   2HG2  THR  63          2HG2      THR  63 -15.939  -4.007  -8.442
  517   3HG2  THR  63          3HG2      THR  63 -15.060  -2.974  -7.304
  518    H    HIS  64           HN       HIS  64 -13.510  -3.228 -11.388
  519    HA   HIS  64           HA       HIS  64 -15.163  -0.791 -11.723
  520   1HB   HIS  64          2HB       HIS  64 -13.526  -2.524 -13.487
  521   2HB   HIS  64          1HB       HIS  64 -14.985  -1.856 -14.217
  522    HD1  HIS  64           HD1      HIS  64 -15.242   0.839 -13.980
  523    HD2  HIS  64           HD2      HIS  64 -11.432  -0.709 -13.296
  524    HE1  HIS  64           HE1      HIS  64 -13.636   2.790 -14.146
  525    H    GLN  65           HN       GLN  65 -15.839  -3.841 -10.768
  526    HA   GLN  65           HA       GLN  65 -18.072  -4.405 -12.585
  527   1HB   GLN  65          2HB       GLN  65 -16.920  -5.715 -10.134
  528   2HB   GLN  65          1HB       GLN  65 -18.532  -6.166 -10.693
  529   1HG   GLN  65          2HG       GLN  65 -16.954  -7.672 -11.731
  530   2HG   GLN  65          1HG       GLN  65 -17.536  -6.568 -12.978
  531   1HE2  GLN  65          1HE2      GLN  65 -14.755  -7.253 -10.850
  532   2HE2  GLN  65          2HE2      GLN  65 -13.635  -6.347 -11.747
  533    H    GLU  66           HN       GLU  66 -20.242  -4.971 -11.291
  534    HA   GLU  66           HA       GLU  66 -20.809  -2.627  -9.518
  535   1HB   GLU  66          2HB       GLU  66 -22.030  -3.441 -11.998
  536   2HB   GLU  66          1HB       GLU  66 -23.225  -3.526 -10.704
  537   1HG   GLU  66          HG2       GLU  66 -21.437  -1.120 -10.914
  538   2HG   GLU  66          HG1       GLU  66 -22.849  -1.252 -11.962
  539    H    ASP  67           HN       ASP  67 -21.053  -6.071  -9.939
  540    HA   ASP  67           HA       ASP  67 -22.776  -6.218  -7.502
  541   1HB   ASP  67          2HB       ASP  67 -23.210  -7.414  -9.913
  542   2HB   ASP  67          1HB       ASP  67 -22.323  -8.685  -9.070
  543    H    TYR  68           HN       TYR  68 -19.872  -5.772  -7.410
  544    HA   TYR  68           HA       TYR  68 -18.434  -8.179  -6.879
  545   1HB   TYR  68          2HB       TYR  68 -17.617  -5.680  -7.024
  546   2HB   TYR  68          1HB       TYR  68 -17.922  -5.681  -5.287
  547    HD1  TYR  68           HD1      TYR  68 -16.014  -7.333  -8.011
  548    HD2  TYR  68           HD2      TYR  68 -16.486  -6.860  -3.769
  549    HE1  TYR  68           HE1      TYR  68 -13.868  -8.517  -7.640
  550    HE2  TYR  68           HE2      TYR  68 -14.339  -8.043  -3.398
  551    HH   TYR  68           HH       TYR  68 -12.223  -8.466  -4.722
  552    H    GLN  69           HN       GLN  69 -18.883  -9.672  -5.328
  553    HA   GLN  69           HA       GLN  69 -20.412  -8.780  -2.928
  554   1HB   GLN  69          2HB       GLN  69 -20.165 -11.394  -4.388
  555   2HB   GLN  69          1HB       GLN  69 -20.628 -11.388  -2.686
  556   1HG   GLN  69          2HG       GLN  69 -22.017  -9.600  -4.678
  557   2HG   GLN  69          1HG       GLN  69 -22.525 -11.274  -4.450
  558   1HE2  GLN  69          1HE2      GLN  69 -23.090  -8.150  -3.332
  559   2HE2  GLN  69          2HE2      GLN  69 -23.760  -8.531  -1.820
  560    H    ALA  70           HN       ALA  70 -19.071  -8.324  -1.254
  561    HA   ALA  70           HA       ALA  70 -16.960 -10.317  -0.589
  562   1HB   ALA  70          1HB       ALA  70 -15.286  -8.678  -0.289
  563   2HB   ALA  70          2HB       ALA  70 -16.456  -7.358  -0.286
  564   3HB   ALA  70          3HB       ALA  70 -16.074  -8.194  -1.792
  565    H    GLN  71           HN       GLN  71 -18.579 -10.982   1.009
  566    HA   GLN  71           HA       GLN  71 -19.591  -9.164   2.999
  567   1HB   GLN  71          2HB       GLN  71 -19.466 -12.128   2.660
  568   2HB   GLN  71          1HB       GLN  71 -19.767 -11.503   4.282
  569   1HG   GLN  71          2HG       GLN  71 -21.339 -10.185   2.161
  570   2HG   GLN  71          1HG       GLN  71 -21.714 -11.893   2.391
  571   1HE2  GLN  71          1HE2      GLN  71 -21.108  -8.976   4.445
  572   2HE2  GLN  71          2HE2      GLN  71 -22.320  -9.345   5.574
  573    H    GLY  72           HN       GLY  72 -18.476  -8.257   4.643
  574   1HA   GLY  72          2HA       GLY  72 -17.086  -8.597   6.654
  575   2HA   GLY  72          1HA       GLY  72 -16.113  -9.733   5.719
  576    H    ALA  73           HN       ALA  73 -15.911  -8.091   3.322
  577    HA   ALA  73           HA       ALA  73 -14.104  -5.979   4.410
  578   1HB   ALA  73          1HB       ALA  73 -12.573  -7.087   3.168
  579   2HB   ALA  73          2HB       ALA  73 -13.372  -6.374   1.767
  580   3HB   ALA  73          3HB       ALA  73 -13.813  -7.995   2.304
  581    H    VAL  74           HN       VAL  74 -14.243  -3.936   3.610
  582    HA   VAL  74           HA       VAL  74 -16.718  -2.969   2.553
  583    HB   VAL  74           HB       VAL  74 -14.019  -1.614   2.318
  584   1HG1  VAL  74          1HG1      VAL  74 -16.872  -0.777   2.055
  585   2HG1  VAL  74          2HG1      VAL  74 -15.452  -0.217   1.171
  586   3HG1  VAL  74          3HG1      VAL  74 -15.755   0.361   2.810
  587   1HG2  VAL  74          1HG2      VAL  74 -14.286  -2.286   4.621
  588   2HG2  VAL  74          2HG2      VAL  74 -15.972  -1.768   4.630
  589   3HG2  VAL  74          3HG2      VAL  74 -14.681  -0.571   4.527
  590    H    VAL  75           HN       VAL  75 -16.987  -1.885   0.347
  591    HA   VAL  75           HA       VAL  75 -15.172  -2.871  -1.757
  592    HB   VAL  75           HB       VAL  75 -18.125  -3.581  -1.677
  593   1HG1  VAL  75          1HG1      VAL  75 -16.906  -4.978  -3.744
  594   2HG1  VAL  75          2HG1      VAL  75 -16.171  -3.379  -3.851
  595   3HG1  VAL  75          3HG1      VAL  75 -17.924  -3.551  -3.931
  596   1HG2  VAL  75          1HG2      VAL  75 -17.035  -5.149  -0.294
  597   2HG2  VAL  75          2HG2      VAL  75 -15.577  -5.144  -1.286
  598   3HG2  VAL  75          3HG2      VAL  75 -17.038  -5.940  -1.871
  599    H    VAL  76           HN       VAL  76 -15.018  -1.297  -3.330
  600    HA   VAL  76           HA       VAL  76 -17.305   0.545  -3.742
  601    HB   VAL  76           HB       VAL  76 -15.748   2.512  -3.635
  602   1HG1  VAL  76          1HG1      VAL  76 -16.091   0.821  -1.142
  603   2HG1  VAL  76          2HG1      VAL  76 -17.187   2.069  -1.738
  604   3HG1  VAL  76          3HG1      VAL  76 -15.594   2.514  -1.123
  605   1HG2  VAL  76          1HG2      VAL  76 -13.744   1.453  -1.940
  606   2HG2  VAL  76          2HG2      VAL  76 -13.534   2.095  -3.568
  607   3HG2  VAL  76          3HG2      VAL  76 -13.827   0.371  -3.331
  608    H    HIS  77           HN       HIS  77 -16.967   1.896  -5.728
  609    HA   HIS  77           HA       HIS  77 -14.966   0.758  -7.620
  610   1HB   HIS  77          2HB       HIS  77 -17.771   1.297  -8.565
  611   2HB   HIS  77          1HB       HIS  77 -16.546   0.243  -9.269
  612    HD1  HIS  77           HD1      HIS  77 -16.606  -2.177  -8.608
  613    HD2  HIS  77           HD2      HIS  77 -18.927   0.188  -6.080
  614    HE1  HIS  77           HE1      HIS  77 -17.837  -3.766  -7.071
  615    H    ASP  78           HN       ASP  78 -15.249   3.340  -6.140
  616    HA   ASP  78           HA       ASP  78 -14.685   5.096  -8.376
  617   1HB   ASP  78          2HB       ASP  78 -17.397   5.012  -7.275
  618   2HB   ASP  78          1HB       ASP  78 -16.686   6.624  -7.199
  619    H    VAL  79           HN       VAL  79 -12.910   6.018  -7.489
  620    HA   VAL  79           HA       VAL  79 -12.083   6.262  -4.895
  621    HB   VAL  79           HB       VAL  79 -11.822   8.377  -7.053
  622   1HG1  VAL  79          1HG1      VAL  79 -10.174   7.937  -4.542
  623   2HG1  VAL  79          2HG1      VAL  79 -11.326   9.261  -4.785
  624   3HG1  VAL  79          3HG1      VAL  79  -9.868   9.158  -5.789
  625   1HG2  VAL  79          1HG2      VAL  79 -10.896   6.312  -7.826
  626   2HG2  VAL  79          2HG2      VAL  79 -10.187   5.960  -6.250
  627   3HG2  VAL  79          3HG2      VAL  79  -9.527   7.259  -7.243
  628    H    ALA  80           HN       ALA  80 -14.540   8.287  -6.430
  629    HA   ALA  80           HA       ALA  80 -14.726  10.337  -4.481
  630   1HB   ALA  80          1HB       ALA  80 -16.219   9.482  -6.740
  631   2HB   ALA  80          2HB       ALA  80 -16.375  11.003  -5.861
  632   3HB   ALA  80          3HB       ALA  80 -17.358   9.613  -5.400
  633    H    ALA  81           HN       ALA  81 -16.294   7.136  -4.589
  634    HA   ALA  81           HA       ALA  81 -17.809   7.487  -2.175
  635   1HB   ALA  81          1HB       ALA  81 -18.632   5.681  -3.328
  636   2HB   ALA  81          2HB       ALA  81 -17.514   4.811  -2.279
  637   3HB   ALA  81          3HB       ALA  81 -17.043   5.209  -3.931
  638    H    VAL  82           HN       VAL  82 -14.644   5.911  -2.798
  639    HA   VAL  82           HA       VAL  82 -14.123   5.013  -0.182
  640    HB   VAL  82           HB       VAL  82 -12.085   6.203  -2.087
  641   1HG1  VAL  82          1HG1      VAL  82 -11.972   4.646   0.439
  642   2HG1  VAL  82          2HG1      VAL  82 -10.801   5.777  -0.240
  643   3HG1  VAL  82          3HG1      VAL  82 -10.876   4.120  -0.839
  644   1HG2  VAL  82          1HG2      VAL  82 -12.176   4.302  -3.349
  645   2HG2  VAL  82          2HG2      VAL  82 -13.815   4.188  -2.710
  646   3HG2  VAL  82          3HG2      VAL  82 -12.511   3.274  -1.956
  647    H    PHE  83           HN       PHE  83 -13.509   8.239  -1.575
  648    HA   PHE  83           HA       PHE  83 -12.181   9.351   0.677
  649   1HB   PHE  83          2HB       PHE  83 -13.747  10.470  -1.618
  650   2HB   PHE  83          1HB       PHE  83 -13.329  11.540  -0.278
  651    HD1  PHE  83           HD1      PHE  83 -12.247  10.502  -3.393
  652    HD2  PHE  83           HD2      PHE  83 -10.766  11.051   0.600
  653    HE1  PHE  83           HE1      PHE  83  -9.941  10.717  -4.277
  654    HE2  PHE  83           HE2      PHE  83  -8.459  11.265  -0.285
  655    HZ   PHE  83           HZ       PHE  83  -8.047  11.096  -2.724
  656    H    ALA  84           HN       ALA  84 -15.646   9.067  -0.061
  657    HA   ALA  84           HA       ALA  84 -16.657  10.682   2.035
  658   1HB   ALA  84          1HB       ALA  84 -18.658   9.922   1.308
  659   2HB   ALA  84          2HB       ALA  84 -18.219   8.242   1.616
  660   3HB   ALA  84          3HB       ALA  84 -17.751   9.013   0.099
  661    H    TYR  85           HN       TYR  85 -16.294   7.112   2.095
  662    HA   TYR  85           HA       TYR  85 -16.923   6.569   4.719
  663   1HB   TYR  85          2HB       TYR  85 -16.016   5.019   2.823
  664   2HB   TYR  85          1HB       TYR  85 -14.442   5.334   3.554
  665    HD1  TYR  85           HD1      TYR  85 -17.930   4.312   4.479
  666    HD2  TYR  85           HD2      TYR  85 -13.737   4.038   5.367
  667    HE1  TYR  85           HE1      TYR  85 -18.413   2.638   6.244
  668    HE2  TYR  85           HE2      TYR  85 -14.219   2.365   7.132
  669    HH   TYR  85           HH       TYR  85 -16.327   0.604   7.466
  670    H    ALA  86           HN       ALA  86 -13.572   7.351   3.675
  671    HA   ALA  86           HA       ALA  86 -12.415   7.454   6.242
  672   1HB   ALA  86          1HB       ALA  86 -11.555   9.497   4.246
  673   2HB   ALA  86          2HB       ALA  86 -11.437   7.802   3.774
  674   3HB   ALA  86          3HB       ALA  86 -10.580   8.381   5.203
  675    H    LYS  87           HN       LYS  87 -13.963  10.092   4.407
  676    HA   LYS  87           HA       LYS  87 -13.570  12.117   6.391
  677   1HB   LYS  87          2HB       LYS  87 -15.093  11.786   3.913
  678   2HB   LYS  87          1HB       LYS  87 -15.952  12.767   5.100
  679   1HG   LYS  87          2HG       LYS  87 -13.122  13.463   4.980
  680   2HG   LYS  87          1HG       LYS  87 -13.903  13.637   3.409
  681   1HD   LYS  87          2HD       LYS  87 -15.778  14.717   5.133
  682   2HD   LYS  87          1HD       LYS  87 -14.251  15.230   5.851
  683   1HE   LYS  87          2HE       LYS  87 -14.475  15.488   2.897
  684   2HE   LYS  87          1HE       LYS  87 -15.450  16.598   3.860
  685   1HZ   LYS  87          1HE       LYS  87 -13.341  17.597   3.496
  686   2HZ   LYS  87          2HE       LYS  87 -12.514  16.202   4.002
  687   3HZ   LYS  87          3HE       LYS  87 -13.396  17.124   5.123
  688    H    GLN  88           HN       GLN  88 -15.880   9.516   6.107
  689    HA   GLN  88           HA       GLN  88 -17.671  10.684   8.126
  690   1HB   GLN  88          2HB       GLN  88 -17.834   8.601   6.132
  691   2HB   GLN  88          1HB       GLN  88 -18.362   7.982   7.697
  692   1HG   GLN  88          2HG       GLN  88 -20.210   9.311   7.743
  693   2HG   GLN  88          1HG       GLN  88 -19.358  10.686   7.040
  694   1HE2  GLN  88          1HE2      GLN  88 -19.111  10.714   4.649
  695   2HE2  GLN  88          2HE2      GLN  88 -20.168   9.810   3.674
  696    H    HIS  89           HN       HIS  89 -15.065   8.271   8.049
  697    HA   HIS  89           HA       HIS  89 -15.789   7.318  10.738
  698   1HB   HIS  89          2HB       HIS  89 -13.889   6.526   8.599
  699   2HB   HIS  89          1HB       HIS  89 -13.384   6.185  10.254
  700    HD1  HIS  89           HD1      HIS  89 -14.096   3.921  10.980
  701    HD2  HIS  89           HD2      HIS  89 -16.856   5.608   8.351
  702    HE1  HIS  89           HE1      HIS  89 -15.950   2.219  10.699
  703    HA   PRO  90           HA       PRO  90 -13.062  10.469  12.528
  704   1HB   PRO  90          2HB       PRO  90 -14.146  10.156  15.062
  705   2HB   PRO  90          1HB       PRO  90 -14.758  11.266  13.827
  706   1HG   PRO  90          2HG       PRO  90 -15.999   8.885  14.871
  707   2HG   PRO  90          1HG       PRO  90 -16.653  10.060  13.721
  708   1HD   PRO  90          2HD       PRO  90 -15.524   7.417  13.199
  709   2HD   PRO  90          1HD       PRO  90 -16.451   8.472  12.118
  710    H    ASP  91           HN       ASP  91 -13.063   7.183  12.768
  711    HA   ASP  91           HA       ASP  91 -10.707   7.209  14.598
  712   1HB   ASP  91          2HB       ASP  91 -13.253   5.796  14.976
  713   2HB   ASP  91          1HB       ASP  91 -11.854   4.725  15.047
  714    H    GLN  92           HN       GLN  92 -11.582   6.812  11.572
  715    HA   GLN  92           HA       GLN  92  -9.514   4.772  11.038
  716   1HB   GLN  92          2HB       GLN  92 -11.897   3.720  11.158
  717   2HB   GLN  92          1HB       GLN  92 -12.179   4.566   9.636
  718   1HG   GLN  92          2HG       GLN  92 -10.714   3.241   8.469
  719   2HG   GLN  92          1HG       GLN  92  -9.662   2.996   9.858
  720   1HE2  GLN  92          1HE2      GLN  92 -12.628   1.858   8.281
  721   2HE2  GLN  92          2HE2      GLN  92 -12.774   0.434   9.193
  722    H    GLU  93           HN       GLU  93  -8.170   5.986   9.688
  723    HA   GLU  93           HA       GLU  93  -9.373   8.074   8.011
  724   1HB   GLU  93          2HB       GLU  93  -6.537   7.217   8.607
  725   2HB   GLU  93          1HB       GLU  93  -6.912   8.442   7.397
  726   1HG   GLU  93          HG2       GLU  93  -7.451  10.004   8.958
  727   2HG   GLU  93          HG1       GLU  93  -8.268   8.829   9.990
  728    H    LEU  94           HN       LEU  94  -7.777   8.088   5.821
  729    HA   LEU  94           HA       LEU  94  -8.657   5.640   4.368
  730   1HB   LEU  94          2HB       LEU  94  -9.241   8.093   3.641
  731   2HB   LEU  94          1HB       LEU  94  -7.589   8.114   3.031
  732    HG   LEU  94           HG       LEU  94  -8.153   5.931   1.826
  733   1HD1  LEU  94          1HD1      LEU  94 -10.235   5.052   1.959
  734   2HD1  LEU  94          2HD1      LEU  94 -10.998   6.628   1.749
  735   3HD1  LEU  94          3HD1      LEU  94 -10.468   6.111   3.348
  736   1HD2  LEU  94          1HD2      LEU  94  -9.241   7.118  -0.032
  737   2HD2  LEU  94          2HD2      LEU  94  -8.004   8.140   0.698
  738   3HD2  LEU  94          3HD2      LEU  94  -9.707   8.424   1.058
  739    H    VAL  95           HN       VAL  95  -7.072   4.138   4.054
  740    HA   VAL  95           HA       VAL  95  -4.274   5.148   3.725
  741    HB   VAL  95           HB       VAL  95  -5.153   2.541   5.012
  742   1HG1  VAL  95          1HG1      VAL  95  -2.424   3.749   4.489
  743   2HG1  VAL  95          2HG1      VAL  95  -3.056   2.238   3.834
  744   3HG1  VAL  95          3HG1      VAL  95  -2.704   2.373   5.557
  745   1HG2  VAL  95          1HG2      VAL  95  -5.544   4.245   6.604
  746   2HG2  VAL  95          2HG2      VAL  95  -4.139   5.174   6.078
  747   3HG2  VAL  95          3HG2      VAL  95  -3.918   3.679   6.987
  748    H    ILE  96           HN       ILE  96  -3.354   4.600   1.831
  749    HA   ILE  96           HA       ILE  96  -4.862   2.864  -0.012
  750    HB   ILE  96           HB       ILE  96  -2.281   4.354  -0.526
  751   1HG1  ILE  96          2HG1      ILE  96  -4.022   5.897   0.339
  752   2HG1  ILE  96          1HG1      ILE  96  -3.687   6.194  -1.364
  753   1HG2  ILE  96          1HG2      ILE  96  -3.440   4.372  -2.872
  754   2HG2  ILE  96          2HG2      ILE  96  -4.388   3.035  -2.217
  755   3HG2  ILE  96          3HG2      ILE  96  -2.631   2.903  -2.325
  756   1HD1  ILE  96          1HD1      ILE  96  -6.080   6.200  -1.097
  757   2HD1  ILE  96          2HD1      ILE  96  -6.035   4.684  -0.195
  758   3HD1  ILE  96          3HD1      ILE  96  -5.650   4.698  -1.917
  759    H    ALA  97           HN       ALA  97  -3.946   1.030  -1.030
  760    HA   ALA  97           HA       ALA  97  -1.431  -0.022   0.179
  761   1HB   ALA  97          1HB       ALA  97  -2.412  -1.938   0.895
  762   2HB   ALA  97          2HB       ALA  97  -3.397  -2.073  -0.563
  763   3HB   ALA  97          3HB       ALA  97  -3.928  -1.042   0.768
  764    H    GLY  98           HN       GLY  98  -2.939   1.006  -2.538
  765   1HA   GLY  98          2HA       GLY  98  -1.924   0.958  -4.697
  766   2HA   GLY  98          1HA       GLY  98  -1.088  -0.525  -4.249
  767    H    GLY  99           HN       GLY  99  -3.425  -2.063  -6.461
  768   1HA   GLY  99          2HA       GLY  99  -0.685  -1.714  -5.632
  769   2HA   GLY  99          1HA       GLY  99  -1.212  -2.268  -7.211
  770    H    ALA 100           HN       ALA 100   0.139  -1.016  -8.461
  771    HA   ALA 100           HA       ALA 100   0.777   1.736  -8.001
  772   1HB   ALA 100          1HB       ALA 100   0.674   0.692 -10.799
  773   2HB   ALA 100          2HB       ALA 100   1.779  -0.093  -9.670
  774   3HB   ALA 100          3HB       ALA 100   1.932   1.633  -9.998
  775    H    GLN 101           HN       GLN 101  -1.816   0.177  -9.838
  776    HA   GLN 101           HA       GLN 101  -2.816   2.449 -11.166
  777   1HB   GLN 101          2HB       GLN 101  -4.463   0.177 -10.030
  778   2HB   GLN 101          1HB       GLN 101  -4.840   1.184 -11.418
  779   1HG   GLN 101          2HG       GLN 101  -2.295   0.147 -11.969
  780   2HG   GLN 101          1HG       GLN 101  -3.207  -1.204 -11.300
  781   1HE2  GLN 101          1HE2      GLN 101  -4.486  -2.304 -12.790
  782   2HE2  GLN 101          2HE2      GLN 101  -5.046  -1.659 -14.257
  783    H    ILE 102           HN       ILE 102  -3.551   1.223  -7.853
  784    HA   ILE 102           HA       ILE 102  -5.505   3.315  -7.398
  785    HB   ILE 102           HB       ILE 102  -4.068   1.647  -5.319
  786   1HG1  ILE 102          2HG1      ILE 102  -4.956   0.127  -7.010
  787   2HG1  ILE 102          1HG1      ILE 102  -5.995   0.064  -5.588
  788   1HG2  ILE 102          1HG2      ILE 102  -6.926   2.579  -5.250
  789   2HG2  ILE 102          2HG2      ILE 102  -5.630   3.680  -4.784
  790   3HG2  ILE 102          3HG2      ILE 102  -5.861   2.167  -3.907
  791   1HD1  ILE 102          1HD1      ILE 102  -7.275   2.012  -6.884
  792   2HD1  ILE 102          2HD1      ILE 102  -7.611   0.315  -7.221
  793   3HD1  ILE 102          3HD1      ILE 102  -6.542   1.231  -8.284
  794    H    PHE 103           HN       PHE 103  -2.025   3.067  -6.990
  795    HA   PHE 103           HA       PHE 103  -1.826   5.244  -5.084
  796   1HB   PHE 103          2HB       PHE 103   0.150   3.907  -6.942
  797   2HB   PHE 103          1HB       PHE 103   0.598   5.293  -5.951
  798    HD1  PHE 103           HD1      PHE 103   1.176   2.033  -5.977
  799    HD2  PHE 103           HD2      PHE 103  -0.870   4.847  -3.456
  800    HE1  PHE 103           HE1      PHE 103   1.512   0.535  -4.030
  801    HE2  PHE 103           HE2      PHE 103  -0.536   3.347  -1.511
  802    HZ   PHE 103           HZ       PHE 103   0.656   1.192  -1.797
  803    H    THR 104           HN       THR 104  -2.245   5.022  -8.519
  804    HA   THR 104           HA       THR 104  -1.281   7.727  -9.074
  805    HB   THR 104           HB       THR 104  -3.074   6.125 -10.891
  806    HG1  THR 104           HG1      THR 104  -1.561   4.648 -10.426
  807   1HG2  THR 104          1HG2      THR 104  -0.774   8.051 -11.321
  808   2HG2  THR 104          2HG2      THR 104  -2.484   8.389 -11.591
  809   3HG2  THR 104          3HG2      THR 104  -1.644   7.219 -12.610
  810    H    ALA 105           HN       ALA 105  -4.515   6.156  -8.937
  811    HA   ALA 105           HA       ALA 105  -5.993   8.539  -9.466
  812   1HB   ALA 105          1HB       ALA 105  -7.886   7.299  -8.928
  813   2HB   ALA 105          2HB       ALA 105  -7.073   6.431  -7.626
  814   3HB   ALA 105          3HB       ALA 105  -6.741   6.012  -9.307
  815    H    PHE 106           HN       PHE 106  -4.654   7.231  -6.468
  816    HA   PHE 106           HA       PHE 106  -5.945   9.398  -4.908
  817   1HB   PHE 106          2HB       PHE 106  -4.299   6.982  -4.133
  818   2HB   PHE 106          1HB       PHE 106  -4.802   8.207  -2.969
  819    HD1  PHE 106           HD1      PHE 106  -7.071   8.347  -2.201
  820    HD2  PHE 106           HD2      PHE 106  -6.018   5.646  -5.365
  821    HE1  PHE 106           HE1      PHE 106  -9.286   7.251  -2.007
  822    HE2  PHE 106           HE2      PHE 106  -8.229   4.549  -5.170
  823    HZ   PHE 106           HZ       PHE 106  -9.864   5.352  -3.490
  824    H    LYS 107           HN       LYS 107  -3.131   9.011  -6.681
  825    HA   LYS 107           HA       LYS 107  -1.064  10.012  -5.087
  826   1HB   LYS 107          2HB       LYS 107   0.073  10.563  -7.070
  827   2HB   LYS 107          1HB       LYS 107  -1.029   9.283  -7.571
  828   1HG   LYS 107          2HG       LYS 107  -2.643  11.012  -8.350
  829   2HG   LYS 107          1HG       LYS 107  -1.481  12.264  -7.913
  830   1HD   LYS 107          2HD       LYS 107   0.051  10.554  -9.442
  831   2HD   LYS 107          1HD       LYS 107  -1.515  10.481 -10.250
  832   1HE   LYS 107          2HE       LYS 107  -0.235  12.307 -11.215
  833   2HE   LYS 107          1HE       LYS 107  -1.559  12.988 -10.272
  834   1HZ   LYS 107          1HE       LYS 107   0.705  12.588  -8.623
  835   2HZ   LYS 107          2HE       LYS 107  -0.116  14.031  -8.981
  836   3HZ   LYS 107          3HE       LYS 107   1.147  13.498  -9.985
  837    H    ASP 108           HN       ASP 108  -3.629  11.922  -6.722
  838    HA   ASP 108           HA       ASP 108  -2.526  14.480  -6.078
  839   1HB   ASP 108          2HB       ASP 108  -4.554  13.720  -7.632
  840   2HB   ASP 108          1HB       ASP 108  -5.487  14.103  -6.185
  841    H    ASP 109           HN       ASP 109  -4.689  12.314  -4.281
  842    HA   ASP 109           HA       ASP 109  -4.790  14.288  -2.058
  843   1HB   ASP 109          2HB       ASP 109  -6.743  12.662  -3.141
  844   2HB   ASP 109          1HB       ASP 109  -6.246  11.755  -1.712
  845    H    VAL 110           HN       VAL 110  -2.619  13.959  -1.266
  846    HA   VAL 110           HA       VAL 110  -2.197  11.272  -0.014
  847    HB   VAL 110           HB       VAL 110  -0.023  13.215  -0.825
  848   1HG1  VAL 110          1HG1      VAL 110  -0.016  10.283  -0.047
  849   2HG1  VAL 110          2HG1      VAL 110   0.555  11.624   0.952
  850   3HG1  VAL 110          3HG1      VAL 110   1.405  11.211  -0.542
  851   1HG2  VAL 110          1HG2      VAL 110  -0.434  12.580  -2.953
  852   2HG2  VAL 110          2HG2      VAL 110  -1.588  11.346  -2.443
  853   3HG2  VAL 110          3HG2      VAL 110   0.137  10.980  -2.482
  854    H    ASP 111           HN       ASP 111  -1.734  11.266   2.171
  855    HA   ASP 111           HA       ASP 111  -1.305  13.913   3.488
  856   1HB   ASP 111          2HB       ASP 111  -3.380  11.859   3.969
  857   2HB   ASP 111          1HB       ASP 111  -2.578  12.458   5.422
  858    H    THR 112           HN       THR 112  -0.793  10.407   3.553
  859    HA   THR 112           HA       THR 112   1.688  10.875   5.126
  860    HB   THR 112           HB       THR 112  -0.237   8.639   5.806
  861    HG1  THR 112           HG1      THR 112   0.170  11.070   7.197
  862   1HG2  THR 112          1HG2      THR 112   2.412   9.577   6.760
  863   2HG2  THR 112          2HG2      THR 112   1.735   7.949   6.735
  864   3HG2  THR 112          3HG2      THR 112   1.267   9.079   8.006
  865    H    LEU 113           HN       LEU 113   3.352   9.809   4.154
  866    HA   LEU 113           HA       LEU 113   2.655   7.639   2.217
  867   1HB   LEU 113          2HB       LEU 113   5.148   9.361   2.342
  868   2HB   LEU 113          1HB       LEU 113   4.770   8.174   1.095
  869    HG   LEU 113           HG       LEU 113   2.771  10.330   1.660
  870   1HD1  LEU 113          1HD1      LEU 113   3.914  11.837   0.089
  871   2HD1  LEU 113          2HD1      LEU 113   5.247  10.690  -0.059
  872   3HD1  LEU 113          3HD1      LEU 113   4.950  11.505   1.478
  873   1HD2  LEU 113          1HD2      LEU 113   2.912  10.020  -1.022
  874   2HD2  LEU 113          2HD2      LEU 113   1.926   8.979   0.005
  875   3HD2  LEU 113          3HD2      LEU 113   3.524   8.445  -0.517
  876    H    LEU 114           HN       LEU 114   3.386   5.598   2.620
  877    HA   LEU 114           HA       LEU 114   5.552   5.264   4.653
  878   1HB   LEU 114          2HB       LEU 114   3.208   3.387   4.211
  879   2HB   LEU 114          1HB       LEU 114   4.430   3.278   5.479
  880    HG   LEU 114           HG       LEU 114   2.861   5.816   5.259
  881   1HD1  LEU 114          1HD1      LEU 114   1.282   3.781   5.112
  882   2HD1  LEU 114          2HD1      LEU 114   0.968   4.954   6.391
  883   3HD1  LEU 114          3HD1      LEU 114   1.780   3.435   6.768
  884   1HD2  LEU 114          1HD2      LEU 114   3.371   5.998   7.546
  885   2HD2  LEU 114          2HD2      LEU 114   4.804   5.201   6.897
  886   3HD2  LEU 114          3HD2      LEU 114   3.573   4.257   7.736
  887    H    VAL 115           HN       VAL 115   7.255   4.713   3.420
  888    HA   VAL 115           HA       VAL 115   6.838   2.599   1.330
  889    HB   VAL 115           HB       VAL 115   7.388   4.856   0.411
  890   1HG1  VAL 115          1HG1      VAL 115  10.187   4.471   1.428
  891   2HG1  VAL 115          2HG1      VAL 115   8.994   5.263   2.457
  892   3HG1  VAL 115          3HG1      VAL 115   9.394   5.948   0.882
  893   1HG2  VAL 115          1HG2      VAL 115   7.961   2.750  -0.782
  894   2HG2  VAL 115          2HG2      VAL 115   9.536   2.749   0.014
  895   3HG2  VAL 115          3HG2      VAL 115   9.120   4.037  -1.119
  896    H    THR 116           HN       THR 116   8.196   0.868   1.282
  897    HA   THR 116           HA       THR 116  10.284   0.719   3.420
  898    HB   THR 116           HB       THR 116   9.204  -1.684   1.961
  899    HG1  THR 116           HG1      THR 116   7.607  -1.824   3.582
  900   1HG2  THR 116          1HG2      THR 116  10.092  -1.305   4.827
  901   2HG2  THR 116          2HG2      THR 116  11.183  -1.775   3.524
  902   3HG2  THR 116          3HG2      THR 116   9.844  -2.830   3.978
  903    H    ARG 117           HN       ARG 117  12.284   1.081   2.539
  904    HA   ARG 117           HA       ARG 117  12.731   0.374  -0.309
  905   1HB   ARG 117          2HB       ARG 117  14.404   1.967   1.653
  906   2HB   ARG 117          1HB       ARG 117  14.839   1.679  -0.033
  907   1HG   ARG 117          2HG       ARG 117  12.511   2.666  -0.593
  908   2HG   ARG 117          1HG       ARG 117  12.531   3.284   1.060
  909   1HD   ARG 117          2HD       ARG 117  14.945   3.732  -0.644
  910   2HD   ARG 117          1HD       ARG 117  13.518   4.723  -0.947
  911    HE   ARG 117           HE       ARG 117  13.716   5.070   1.695
  912   1HH1  ARG 117          1HH2      ARG 117  16.230   4.939  -0.707
  913   2HH1  ARG 117          2HH2      ARG 117  17.301   5.950   0.198
  914   1HH2  ARG 117          1HH1      ARG 117  15.118   6.393   2.846
  915   2HH2  ARG 117          2HH1      ARG 117  16.678   6.770   2.194
  916    H    LEU 118           HN       LEU 118  13.562  -1.608  -0.710
  917    HA   LEU 118           HA       LEU 118  14.999  -3.086   1.389
  918   1HB   LEU 118          2HB       LEU 118  14.093  -3.739  -1.415
  919   2HB   LEU 118          1HB       LEU 118  15.205  -4.800  -0.555
  920    HG   LEU 118           HG       LEU 118  13.525  -4.810   1.356
  921   1HD1  LEU 118          1HD1      LEU 118  11.900  -3.242   1.172
  922   2HD1  LEU 118          2HD1      LEU 118  11.152  -4.338   0.007
  923   3HD1  LEU 118          3HD1      LEU 118  12.191  -3.027  -0.555
  924   1HD2  LEU 118          1HD2      LEU 118  12.043  -5.938  -0.936
  925   2HD2  LEU 118          2HD2      LEU 118  12.685  -6.744   0.496
  926   3HD2  LEU 118          3HD2      LEU 118  13.745  -6.399  -0.871
  927    H    ALA 119           HN       ALA 119  17.205  -3.836   1.120
  928    HA   ALA 119           HA       ALA 119  18.900  -1.866  -0.234
  929   1HB   ALA 119          1HB       ALA 119  19.250  -3.273   2.038
  930   2HB   ALA 119          2HB       ALA 119  20.602  -2.663   1.083
  931   3HB   ALA 119          3HB       ALA 119  20.089  -4.342   0.912
  932    H    GLY 120           HN       GLY 120  17.723  -5.101  -0.861
  933   1HA   GLY 120          2HA       GLY 120  19.730  -5.745  -2.865
  934   2HA   GLY 120          1HA       GLY 120  18.215  -6.610  -2.604
  935    H    SER 121           HN       SER 121  18.961  -6.193  -5.199
  936    HA   SER 121           HA       SER 121  17.128  -3.999  -6.083
  937   1HB   SER 121          2HB       SER 121  18.580  -3.992  -8.188
  938   2HB   SER 121          1HB       SER 121  19.326  -3.333  -6.737
  939    HG   SER 121           HG       SER 121  19.565  -6.045  -7.566
  940    H    PHE 122           HN       PHE 122  15.315  -4.883  -6.971
  941    HA   PHE 122           HA       PHE 122  15.582  -7.526  -8.338
  942   1HB   PHE 122          2HB       PHE 122  13.108  -6.266  -7.117
  943   2HB   PHE 122          1HB       PHE 122  13.226  -7.887  -7.804
  944    HD1  PHE 122           HD1      PHE 122  14.313  -9.689  -6.612
  945    HD2  PHE 122           HD2      PHE 122  14.293  -5.701  -5.019
  946    HE1  PHE 122           HE1      PHE 122  15.123 -10.555  -4.433
  947    HE2  PHE 122           HE2      PHE 122  15.102  -6.565  -2.840
  948    HZ   PHE 122           HZ       PHE 122  15.518  -8.993  -2.547
  949    H    GLU 123           HN       GLU 123  14.084  -7.820 -10.207
  950    HA   GLU 123           HA       GLU 123  13.760  -5.245 -11.698
  951   1HB   GLU 123          2HB       GLU 123  13.905  -6.664 -13.762
  952   2HB   GLU 123          1HB       GLU 123  15.378  -6.686 -12.793
  953   1HG   GLU 123          HG2       GLU 123  14.682  -8.814 -11.765
  954   2HG   GLU 123          HG1       GLU 123  13.198  -8.793 -12.720
  955    H    GLY 124           HN       GLY 124  11.877  -5.158 -13.168
  956   1HA   GLY 124          2HA       GLY 124   9.763  -7.085 -13.117
  957   2HA   GLY 124          1HA       GLY 124   9.430  -5.837 -11.915
  958    H    ASP 125           HN       ASP 125   7.547  -5.194 -13.304
  959    HA   ASP 125           HA       ASP 125   8.446  -3.351 -15.448
  960   1HB   ASP 125          2HB       ASP 125   6.870  -5.765 -15.790
  961   2HB   ASP 125          1HB       ASP 125   5.934  -4.345 -16.256
  962    H    THR 126           HN       THR 126   6.466  -4.082 -12.739
  963    HA   THR 126           HA       THR 126   4.862  -1.596 -13.154
  964    HB   THR 126           HB       THR 126   4.282  -3.767 -11.129
  965    HG1  THR 126           HG1      THR 126   3.305  -4.887 -12.631
  966   1HG2  THR 126          1HG2      THR 126   2.725  -1.501 -12.385
  967   2HG2  THR 126          2HG2      THR 126   3.091  -1.751 -10.677
  968   3HG2  THR 126          3HG2      THR 126   1.943  -2.809 -11.497
  969    H    LYS 127           HN       LYS 127   5.532   0.101 -11.957
  970    HA   LYS 127           HA       LYS 127   6.902  -0.456  -9.357
  971   1HB   LYS 127          2HB       LYS 127   7.636   1.625 -11.437
  972   2HB   LYS 127          1HB       LYS 127   8.351   1.523  -9.828
  973   1HG   LYS 127          2HG       LYS 127   9.521  -0.407 -10.317
  974   2HG   LYS 127          1HG       LYS 127   8.337  -0.950 -11.505
  975   1HD   LYS 127          2HD       LYS 127   9.285   0.265 -13.207
  976   2HD   LYS 127          1HD       LYS 127   9.805   1.562 -12.131
  977   1HE   LYS 127          2HE       LYS 127  11.589   0.108 -11.237
  978   2HE   LYS 127          1HE       LYS 127  11.075  -1.186 -12.319
  979   1HZ   LYS 127          1HE       LYS 127  11.479   0.374 -14.189
  980   2HZ   LYS 127          2HE       LYS 127  12.883  -0.051 -13.331
  981   3HZ   LYS 127          3HE       LYS 127  12.160   1.466 -13.085
  982    H    MET 128           HN       MET 128   6.869   1.505  -7.902
  983    HA   MET 128           HA       MET 128   4.182   2.446  -7.565
  984   1HB   MET 128          2HB       MET 128   6.251   2.273  -5.894
  985   2HB   MET 128          1HB       MET 128   6.469   3.957  -6.371
  986   1HG   MET 128          2HG       MET 128   3.696   3.130  -5.693
  987   2HG   MET 128          1HG       MET 128   4.837   3.213  -4.351
  988   1HE   MET 128          1HE       MET 128   2.194   4.937  -4.744
  989   2HE   MET 128          2HE       MET 128   2.739   6.496  -4.131
  990   3HE   MET 128          3HE       MET 128   3.236   5.015  -3.316
  991    H    ILE 129           HN       ILE 129   3.437   4.687  -7.701
  992    HA   ILE 129           HA       ILE 129   4.237   5.970 -10.175
  993    HB   ILE 129           HB       ILE 129   2.549   7.674  -9.531
  994   1HG1  ILE 129          2HG1      ILE 129   1.907   6.110  -7.063
  995   2HG1  ILE 129          1HG1      ILE 129   3.238   7.262  -6.988
  996   1HG2  ILE 129          1HG2      ILE 129   0.619   6.176  -9.492
  997   2HG2  ILE 129          2HG2      ILE 129   1.639   4.841  -8.951
  998   3HG2  ILE 129          3HG2      ILE 129   1.856   5.519 -10.566
  999   1HD1  ILE 129          1HD1      ILE 129   0.637   8.127  -8.205
 1000   2HD1  ILE 129          2HD1      ILE 129   1.856   9.094  -7.375
 1001   3HD1  ILE 129          3HD1      ILE 129   0.776   8.053  -6.448
 1002    HA   PRO 130           HA       PRO 130   7.171   8.963  -8.750
 1003   1HB   PRO 130          2HB       PRO 130   6.116  11.256 -10.047
 1004   2HB   PRO 130          1HB       PRO 130   7.342  10.144 -10.668
 1005   1HG   PRO 130          2HG       PRO 130   4.696  10.491 -11.615
 1006   2HG   PRO 130          1HG       PRO 130   5.880   9.287 -12.141
 1007   1HD   PRO 130          2HD       PRO 130   3.543   8.950 -10.413
 1008   2HD   PRO 130          1HD       PRO 130   4.502   7.721 -11.252
 1009    H    LEU 131           HN       LEU 131   6.878   9.336  -6.552
 1010    HA   LEU 131           HA       LEU 131   4.661  11.064  -5.644
 1011   1HB   LEU 131          2HB       LEU 131   6.725   9.343  -4.306
 1012   2HB   LEU 131          1HB       LEU 131   5.935  10.616  -3.376
 1013    HG   LEU 131           HG       LEU 131   4.360   8.620  -5.006
 1014   1HD1  LEU 131          1HD1      LEU 131   5.429   8.413  -2.188
 1015   2HD1  LEU 131          2HD1      LEU 131   5.528   7.222  -3.485
 1016   3HD1  LEU 131          3HD1      LEU 131   3.984   7.540  -2.696
 1017   1HD2  LEU 131          1HD2      LEU 131   2.683   9.287  -3.135
 1018   2HD2  LEU 131          2HD2      LEU 131   3.009  10.463  -4.407
 1019   3HD2  LEU 131          3HD2      LEU 131   3.783  10.631  -2.831
 1020    H    ASN 132           HN       ASN 132   5.043  13.043  -4.480
 1021    HA   ASN 132           HA       ASN 132   7.487  14.444  -5.399
 1022   1HB   ASN 132          2HB       ASN 132   4.901  15.257  -5.364
 1023   2HB   ASN 132          1HB       ASN 132   5.438  15.892  -3.809
 1024   1HD2  ASN 132          1HD2      ASN 132   7.889  16.884  -4.119
 1025   2HD2  ASN 132          2HD2      ASN 132   8.007  17.972  -5.417
 1026    H    TRP 133           HN       TRP 133   8.605  12.933  -3.712
 1027    HA   TRP 133           HA       TRP 133   8.337  13.190  -0.935
 1028   1HB   TRP 133          2HB       TRP 133  10.976  13.032  -2.421
 1029   2HB   TRP 133          1HB       TRP 133  10.666  12.513  -0.764
 1030    HD1  TRP 133           HD1      TRP 133  10.328  11.426  -4.350
 1031    HE1  TRP 133           HE1      TRP 133   9.387   9.028  -4.442
 1032    HE3  TRP 133           HE3      TRP 133   9.025  10.803   0.547
 1033    HZ2  TRP 133           HZ2      TRP 133   8.236   7.101  -2.672
 1034    HZ3  TRP 133           HZ3      TRP 133   8.010   8.676   1.315
 1035    HH2  TRP 133           HH2      TRP 133   7.614   6.827  -0.286
 1036    H    ASP 134           HN       ASP 134   9.678  15.482  -3.220
 1037    HA   ASP 134           HA       ASP 134  11.112  17.126  -1.366
 1038   1HB   ASP 134          2HB       ASP 134  10.955  17.149  -4.021
 1039   2HB   ASP 134          1HB       ASP 134   9.713  18.361  -3.704
 1040    H    ASP 135           HN       ASP 135   7.697  16.867  -2.133
 1041    HA   ASP 135           HA       ASP 135   7.063  19.353  -0.668
 1042   1HB   ASP 135          2HB       ASP 135   5.746  17.681  -2.628
 1043   2HB   ASP 135          1HB       ASP 135   4.691  17.927  -1.237
 1044    H    PHE 136           HN       PHE 136   7.642  16.135   0.134
 1045    HA   PHE 136           HA       PHE 136   5.932  16.373   2.583
 1046   1HB   PHE 136          2HB       PHE 136   6.913  13.889   1.146
 1047   2HB   PHE 136          1HB       PHE 136   6.068  13.876   2.691
 1048    HD1  PHE 136           HD1      PHE 136   5.669  15.395  -0.725
 1049    HD2  PHE 136           HD2      PHE 136   3.777  13.517   2.640
 1050    HE1  PHE 136           HE1      PHE 136   3.500  15.441  -1.922
 1051    HE2  PHE 136           HE2      PHE 136   1.605  13.564   1.444
 1052    HZ   PHE 136           HZ       PHE 136   1.467  14.525  -0.838
 1053    H    THR 137           HN       THR 137   6.928  15.189   4.504
 1054    HA   THR 137           HA       THR 137   9.907  15.217   4.422
 1055    HB   THR 137           HB       THR 137   8.386  16.338   6.776
 1056    HG1  THR 137           HG1      THR 137   7.829  17.634   5.057
 1057   1HG2  THR 137          1HG2      THR 137  10.936  17.526   6.241
 1058   2HG2  THR 137          2HG2      THR 137  11.113  15.773   6.174
 1059   3HG2  THR 137          3HG2      THR 137  10.457  16.538   7.621
 1060    H    LYS 138           HN       LYS 138  10.751  13.412   5.407
 1061    HA   LYS 138           HA       LYS 138   8.979  11.368   6.407
 1062   1HB   LYS 138          2HB       LYS 138  11.182  10.947   5.276
 1063   2HB   LYS 138          1HB       LYS 138  11.988  11.556   6.721
 1064   1HG   LYS 138          2HG       LYS 138   9.933   9.481   7.204
 1065   2HG   LYS 138          1HG       LYS 138  11.367   8.933   6.336
 1066   1HD   LYS 138          2HD       LYS 138  11.518  10.543   8.893
 1067   2HD   LYS 138          1HD       LYS 138  11.509   8.781   8.871
 1068   1HE   LYS 138          2HE       LYS 138  13.568   8.660   7.731
 1069   2HE   LYS 138          1HE       LYS 138  13.468  10.336   7.191
 1070   1HZ   LYS 138          1HE       LYS 138  14.777  10.749   8.934
 1071   2HZ   LYS 138          2HE       LYS 138  14.440   9.260   9.679
 1072   3HZ   LYS 138          3HE       LYS 138  13.379  10.572   9.879
 1073    H    VAL 139           HN       VAL 139   8.112  11.290   8.416
 1074    HA   VAL 139           HA       VAL 139   9.326  12.945  10.560
 1075    HB   VAL 139           HB       VAL 139   7.178  12.540  11.744
 1076   1HG1  VAL 139          1HG1      VAL 139   7.592  14.364   9.939
 1077   2HG1  VAL 139          2HG1      VAL 139   5.927  14.037  10.423
 1078   3HG1  VAL 139          3HG1      VAL 139   6.554  13.372   8.915
 1079   1HG2  VAL 139          1HG2      VAL 139   5.626  11.517   9.577
 1080   2HG2  VAL 139          2HG2      VAL 139   5.910  10.773  11.150
 1081   3HG2  VAL 139          3HG2      VAL 139   6.994  10.428   9.804
 1082    H    SER 140           HN       SER 140   8.779   9.583   9.706
 1083    HA   SER 140           HA       SER 140  10.334   8.808  12.113
 1084   1HB   SER 140          2HB       SER 140   7.487   8.320  11.747
 1085   2HB   SER 140          1HB       SER 140   8.381   6.813  11.925
 1086    HG   SER 140           HG       SER 140   7.759   8.651  13.778
 1087    H    SER 141           HN       SER 141  11.667   7.063  11.728
 1088    HA   SER 141           HA       SER 141  11.183   5.319   9.414
 1089   1HB   SER 141          2HB       SER 141  12.348   7.103   8.293
 1090   2HB   SER 141          1HB       SER 141  13.566   7.180   9.563
 1091    HG   SER 141           HG       SER 141  13.647   5.748   7.385
 1092    H    ARG 142           HN       ARG 142  12.110   3.297   9.714
 1093    HA   ARG 142           HA       ARG 142  14.100   3.003  11.919
 1094   1HB   ARG 142          2HB       ARG 142  11.773   2.378  12.682
 1095   2HB   ARG 142          1HB       ARG 142  11.761   1.130  11.435
 1096   1HG   ARG 142          2HG       ARG 142  12.502  -0.033  13.341
 1097   2HG   ARG 142          1HG       ARG 142  14.004   0.359  12.503
 1098   1HD   ARG 142          2HD       ARG 142  14.521   2.112  13.993
 1099   2HD   ARG 142          1HD       ARG 142  12.862   2.223  14.578
 1100    HE   ARG 142           HE       ARG 142  13.355   0.511  16.117
 1101   1HH1  ARG 142          1HH2      ARG 142  15.681   0.578  13.540
 1102   2HH1  ARG 142          2HH2      ARG 142  16.696  -0.618  14.268
 1103   1HH2  ARG 142          1HH1      ARG 142  14.683  -1.043  17.053
 1104   2HH2  ARG 142          2HH1      ARG 142  16.136  -1.532  16.247
 1105    H    THR 143           HN       THR 143  15.802   1.630  11.325
 1106    HA   THR 143           HA       THR 143  15.501   0.268   8.683
 1107    HB   THR 143           HB       THR 143  18.126   0.914  10.019
 1108    HG1  THR 143           HG1      THR 143  17.160   2.610   8.057
 1109   1HG2  THR 143          1HG2      THR 143  18.801  -0.245   8.200
 1110   2HG2  THR 143          2HG2      THR 143  18.339   1.181   7.271
 1111   3HG2  THR 143          3HG2      THR 143  17.206  -0.158   7.452
 1112    H    VAL 144           HN       VAL 144  15.781  -1.924   8.591
 1113    HA   VAL 144           HA       VAL 144  16.896  -3.284  11.006
 1114    HB   VAL 144           HB       VAL 144  14.455  -3.527  11.041
 1115   1HG1  VAL 144          1HG1      VAL 144  14.824  -4.658   8.248
 1116   2HG1  VAL 144          2HG1      VAL 144  14.003  -3.145   8.665
 1117   3HG1  VAL 144          3HG1      VAL 144  13.311  -4.698   9.166
 1118   1HG2  VAL 144          1HG2      VAL 144  15.470  -6.160   9.996
 1119   2HG2  VAL 144          2HG2      VAL 144  14.403  -5.847  11.365
 1120   3HG2  VAL 144          3HG2      VAL 144  16.127  -5.496  11.493
 1121    H    GLU 145           HN       GLU 145  18.509  -4.710  10.489
 1122    HA   GLU 145           HA       GLU 145  18.956  -5.272   7.599
 1123   1HB   GLU 145          2HB       GLU 145  20.836  -5.749   9.924
 1124   2HB   GLU 145          1HB       GLU 145  21.232  -5.808   8.206
 1125   1HG   GLU 145          HG2       GLU 145  21.561  -3.580   8.140
 1126   2HG   GLU 145          HG1       GLU 145  19.979  -3.278   8.860
 1127    H    ASP 146           HN       ASP 146  17.957  -7.135   7.000
 1128    HA   ASP 146           HA       ASP 146  17.588  -9.320   8.909
 1129   1HB   ASP 146          2HB       ASP 146  16.184  -8.401   6.723
 1130   2HB   ASP 146          1HB       ASP 146  16.959  -9.851   6.082
 1131    H    THR 147           HN       THR 147  18.065 -11.580   8.157
 1132    HA   THR 147           HA       THR 147  20.870 -11.957   7.822
 1133    HB   THR 147           HB       THR 147  20.150 -14.382   7.336
 1134    HG1  THR 147           HG1      THR 147  18.133 -14.474   6.774
 1135   1HG2  THR 147          1HG2      THR 147  19.705 -14.768   9.641
 1136   2HG2  THR 147          2HG2      THR 147  18.964 -13.180   9.841
 1137   3HG2  THR 147          3HG2      THR 147  20.705 -13.316   9.598
 1138    H    ASN 148           HN       ASN 148  18.444 -11.340   5.470
 1139    HA   ASN 148           HA       ASN 148  20.215 -12.426   3.326
 1140   1HB   ASN 148          2HB       ASN 148  17.648 -12.979   3.531
 1141   2HB   ASN 148          1HB       ASN 148  17.455 -11.397   2.776
 1142   1HD2  ASN 148          1HD2      ASN 148  17.678 -14.610   1.980
 1143   2HD2  ASN 148          2HD2      ASN 148  18.343 -14.470   0.425
 1144    HA   PRO 149           HA       PRO 149  21.799  -8.324   2.608
 1145   1HB   PRO 149          2HB       PRO 149  22.130  -9.044  -0.187
 1146   2HB   PRO 149          1HB       PRO 149  23.371  -8.779   1.045
 1147   1HG   PRO 149          2HG       PRO 149  22.427 -11.267  -0.029
 1148   2HG   PRO 149          1HG       PRO 149  23.720 -10.993   1.146
 1149   1HD   PRO 149          2HD       PRO 149  21.241 -12.187   1.671
 1150   2HD   PRO 149          1HD       PRO 149  22.394 -11.599   2.879
 1151    H    ALA 150           HN       ALA 150  19.586  -9.828   0.250
 1152    HA   ALA 150           HA       ALA 150  18.686  -7.238  -0.748
 1153   1HB   ALA 150          1HB       ALA 150  18.730  -9.578  -1.950
 1154   2HB   ALA 150          2HB       ALA 150  17.425  -8.443  -2.293
 1155   3HB   ALA 150          3HB       ALA 150  17.157  -9.785  -1.180
 1156    H    LEU 151           HN       LEU 151  17.476  -9.623   1.606
 1157    HA   LEU 151           HA       LEU 151  14.877  -8.423   1.861
 1158   1HB   LEU 151          2HB       LEU 151  16.468 -10.195   3.727
 1159   2HB   LEU 151          1HB       LEU 151  14.811  -9.688   4.046
 1160    HG   LEU 151           HG       LEU 151  15.703 -11.164   1.552
 1161   1HD1  LEU 151          1HD1      LEU 151  14.813 -12.068   4.229
 1162   2HD1  LEU 151          2HD1      LEU 151  15.752 -12.924   3.005
 1163   3HD1  LEU 151          3HD1      LEU 151  13.996 -12.836   2.866
 1164   1HD2  LEU 151          1HD2      LEU 151  12.875 -11.208   2.301
 1165   2HD2  LEU 151          2HD2      LEU 151  13.613 -10.806   0.751
 1166   3HD2  LEU 151          3HD2      LEU 151  13.456  -9.572   2.001
 1167    H    THR 152           HN       THR 152  17.902  -7.211   2.763
 1168    HA   THR 152           HA       THR 152  17.238  -5.966   5.271
 1169    HB   THR 152           HB       THR 152  19.114  -4.897   3.135
 1170    HG1  THR 152           HG1      THR 152  20.622  -6.236   3.953
 1171   1HG2  THR 152          1HG2      THR 152  19.659  -3.339   4.660
 1172   2HG2  THR 152          2HG2      THR 152  19.970  -4.586   5.870
 1173   3HG2  THR 152          3HG2      THR 152  18.345  -3.924   5.681
 1174    H    HIS 153           HN       HIS 153  16.207  -3.936   5.638
 1175    HA   HIS 153           HA       HIS 153  15.568  -2.181   3.407
 1176   1HB   HIS 153          2HB       HIS 153  13.088  -2.481   3.582
 1177   2HB   HIS 153          1HB       HIS 153  13.920  -3.894   2.937
 1178    HD1  HIS 153           HD1      HIS 153  14.656  -5.671   5.002
 1179    HD2  HIS 153           HD2      HIS 153  11.382  -3.170   5.638
 1180    HE1  HIS 153           HE1      HIS 153  13.322  -6.703   6.891
 1181    H    THR 154           HN       THR 154  14.070  -0.403   4.109
 1182    HA   THR 154           HA       THR 154  14.145   0.054   7.056
 1183    HB   THR 154           HB       THR 154  14.752   2.184   4.987
 1184    HG1  THR 154           HG1      THR 154  16.376   0.576   5.029
 1185   1HG2  THR 154          1HG2      THR 154  15.490   3.471   6.906
 1186   2HG2  THR 154          2HG2      THR 154  15.239   2.089   7.972
 1187   3HG2  THR 154          3HG2      THR 154  13.858   2.882   7.219
 1188    H    TYR 155           HN       TYR 155  12.458   1.578   7.764
 1189    HA   TYR 155           HA       TYR 155  10.170   1.662   5.840
 1190   1HB   TYR 155          2HB       TYR 155  10.205   1.759   8.874
 1191   2HB   TYR 155          1HB       TYR 155   8.754   1.887   7.881
 1192    HD1  TYR 155           HD1      TYR 155   8.309  -0.042   6.194
 1193    HD2  TYR 155           HD2      TYR 155  10.998  -0.349   9.529
 1194    HE1  TYR 155           HE1      TYR 155   8.159  -2.515   6.087
 1195    HE2  TYR 155           HE2      TYR 155  10.848  -2.822   9.422
 1196    HH   TYR 155           HH       TYR 155   9.681  -4.480   6.810
 1197    H    GLU 156           HN       GLU 156   9.617   3.685   5.097
 1198    HA   GLU 156           HA       GLU 156  10.581   6.020   6.700
 1199   1HB   GLU 156          2HB       GLU 156  10.493   5.497   3.746
 1200   2HB   GLU 156          1HB       GLU 156  10.363   7.152   4.336
 1201   1HG   GLU 156          HG2       GLU 156  12.460   6.120   5.829
 1202   2HG   GLU 156          HG1       GLU 156  12.702   5.396   4.239
 1203    H    VAL 157           HN       VAL 157   8.984   7.286   7.495
 1204    HA   VAL 157           HA       VAL 157   6.285   7.132   6.209
 1205    HB   VAL 157           HB       VAL 157   6.952   7.888   9.071
 1206   1HG1  VAL 157          1HG1      VAL 157   4.869   8.811   8.768
 1207   2HG1  VAL 157          2HG1      VAL 157   4.366   7.152   9.094
 1208   3HG1  VAL 157          3HG1      VAL 157   4.469   7.731   7.431
 1209   1HG2  VAL 157          1HG2      VAL 157   6.887   5.314   7.821
 1210   2HG2  VAL 157          2HG2      VAL 157   5.464   5.450   8.854
 1211   3HG2  VAL 157          3HG2      VAL 157   7.074   5.687   9.535
 1212    H    TRP 158           HN       TRP 158   5.623   9.022   5.254
 1213    HA   TRP 158           HA       TRP 158   7.031  11.533   6.081
 1214   1HB   TRP 158          2HB       TRP 158   5.806  10.853   3.394
 1215   2HB   TRP 158          1HB       TRP 158   6.613  12.363   3.802
 1216    HD1  TRP 158           HD1      TRP 158   7.484   8.585   3.936
 1217    HE1  TRP 158           HE1      TRP 158   9.935   8.318   3.183
 1218    HE3  TRP 158           HE3      TRP 158   8.720  13.474   3.175
 1219    HZ2  TRP 158           HZ2      TRP 158  12.134   9.958   2.379
 1220    HZ3  TRP 158           HZ3      TRP 158  10.995  14.099   2.417
 1221    HH2  TRP 158           HH2      TRP 158  12.703  12.347   2.018
 1222    H    GLN 159           HN       GLN 159   5.719  13.527   5.684
 1223    HA   GLN 159           HA       GLN 159   2.779  13.120   5.918
 1224   1HB   GLN 159          2HB       GLN 159   4.560  14.683   7.808
 1225   2HB   GLN 159          1HB       GLN 159   2.832  15.009   7.666
 1226   1HG   GLN 159          2HG       GLN 159   2.476  12.508   8.091
 1227   2HG   GLN 159          1HG       GLN 159   4.173  12.455   8.571
 1228   1HE2  GLN 159          1HE2      GLN 159   1.143  12.743   9.889
 1229   2HE2  GLN 159          2HE2      GLN 159   1.520  13.645  11.276
 1230    H    LYS 160           HN       LYS 160   1.608  14.860   4.865
 1231    HA   LYS 160           HA       LYS 160   3.228  16.436   3.028
 1232   1HB   LYS 160          2HB       LYS 160   0.952  15.431   2.507
 1233   2HB   LYS 160          1HB       LYS 160   0.256  16.678   3.542
 1234   1HG   LYS 160          2HG       LYS 160   1.976  18.112   1.903
 1235   2HG   LYS 160          1HG       LYS 160   1.308  16.896   0.815
 1236   1HD   LYS 160          2HD       LYS 160  -0.725  18.069   2.568
 1237   2HD   LYS 160          1HD       LYS 160   0.064  19.270   1.546
 1238   1HE   LYS 160          2HE       LYS 160  -0.312  17.536  -0.368
 1239   2HE   LYS 160          1HE       LYS 160  -1.506  16.837   0.726
 1240   1HZ   LYS 160          1HE       LYS 160  -2.684  18.878   0.803
 1241   2HZ   LYS 160          2HE       LYS 160  -2.392  18.540  -0.836
 1242   3HZ   LYS 160          3HE       LYS 160  -1.457  19.705  -0.027
 1243    H    LYS 161           HN       LYS 161   3.882  18.512   3.314
 1244    HA   LYS 161           HA       LYS 161   3.041  19.899   5.801
 1245   1HB   LYS 161          2HB       LYS 161   5.252  20.539   3.824
 1246   2HB   LYS 161          1HB       LYS 161   4.956  21.394   5.338
 1247   1HG   LYS 161          2HG       LYS 161   5.137  18.483   5.678
 1248   2HG   LYS 161          1HG       LYS 161   6.617  19.201   5.041
 1249   1HD   LYS 161          2HD       LYS 161   7.005  19.516   7.292
 1250   2HD   LYS 161          1HD       LYS 161   6.117  21.002   6.952
 1251   1HE   LYS 161          2HE       LYS 161   3.998  19.612   7.508
 1252   2HE   LYS 161          1HE       LYS 161   5.119  18.475   8.257
 1253   1HZ   LYS 161          1HE       LYS 161   5.728  19.979   9.851
 1254   2HZ   LYS 161          2HE       LYS 161   4.100  20.413   9.633
 1255   3HZ   LYS 161          3HE       LYS 161   5.332  21.330   8.906
 1256    H    ALA 162           HN       ALA 162   2.965  22.413   5.458
 1257    HA   ALA 162           HA       ALA 162   1.518  23.055   2.926
 1258   1HB   ALA 162          1HB       ALA 162  -0.087  22.586   4.827
 1259   2HB   ALA 162          2HB       ALA 162  -0.230  24.199   4.128
 1260   3HB   ALA 162          3HB       ALA 162   0.606  23.975   5.665
 1261   AH51  NDP 168          AH51      NDP 168  -5.510  -2.215 -10.630
 1262   AH52  NDP 168          AH52      NDP 168  -5.599  -3.418  -9.332
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.687  -4.329 -10.371
 1264   AH3*  NDP 168          AH3*      NDP 168  -7.349  -2.056 -12.344
 1265   AHO3  NDP 168          AHO3      NDP 168  -6.868  -4.211 -13.025
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.746  -1.884 -12.353
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.046  -2.112  -9.607
 1268   AH8   NDP 168          AH8       NDP 168  -6.952  -0.108 -10.481
 1269   AH61  NDP 168          AH61      NDP 168  -9.058   4.275 -10.467
 1270   AH62  NDP 168          AH62      NDP 168 -10.677   4.806 -10.102
 1271   AH2   NDP 168          AH2       NDP 168 -13.253   1.123 -10.069
 1272   NH51  NDP 168          NH51      NDP 168  -0.713  -4.543 -10.558
 1273   NH52  NDP 168          NH52      NDP 168  -1.799  -5.724  -9.831
 1274   NH4*  NDP 168          NH4*      NDP 168   0.709  -6.248  -9.653
 1275   NH3*  NDP 168          NH3*      NDP 168  -0.956  -6.167  -7.117
 1276   NHO3  NDP 168          NHO3      NDP 168  -0.035  -8.545  -7.854
 1277   NH2*  NDP 168          NH2*      NDP 168   1.032  -6.929  -6.000
 1278   NHO2  NDP 168          NHO2      NDP 168   2.757  -7.108  -8.095
 1279   NH1*  NDP 168          NH1*      NDP 168   2.743  -5.191  -7.348
 1280   NH2   NDP 168          NH2       NDP 168   3.280  -3.833  -5.463
 1281   NH71  NDP 168          NH71      NDP 168   4.677  -3.363  -4.619
 1282   NH72  NDP 168          NH72      NDP 168   5.133  -2.396  -3.235
 1283   NH41  NDP 168          NH41      NDP 168   0.209  -2.007  -3.707
 1284   NH42  NDP 168          NH42      NDP 168   0.367  -3.529  -2.762
 1285   NH5   NDP 168          NH5       NDP 168  -1.560  -3.641  -4.331
 1286   NH6   NDP 168          NH6       NDP 168  -0.857  -4.864  -6.422
 1287    H1   TRR 170           H1       TRR 170   5.062  -5.063   1.649
 1288   1H2   TRR 170          1H2       TRR 170   5.118  -1.841   3.163
 1289   2H2   TRR 170          2H2       TRR 170   6.018  -3.266   2.899
 1290   1H4   TRR 170          1H4       TRR 170   0.699  -1.448   1.418
 1291   2H4   TRR 170          2H4       TRR 170   0.009  -2.713   0.530
 1292    H6   TRR 170           H6       TRR 170   3.276  -6.097   0.395
 1293   1H7   TRR 170          1H7       TRR 170   0.847  -4.496  -1.127
 1294   2H7   TRR 170          2H7       TRR 170  -0.067  -4.678   0.373
 1295    H12  TRR 170           H12      TRR 170   1.585  -6.381  -2.315
 1296    H16  TRR 170           H16      TRR 170   0.271  -6.792   1.773
 1297   1H17  TRR 170          1H17      TRR 170   2.173  -8.768  -4.798
 1298   2H17  TRR 170          2H17      TRR 170   3.073  -7.706  -3.725
 1299   3H17  TRR 170          3H17      TRR 170   1.367  -7.408  -4.028
 1300   1H18  TRR 170          1H18      TRR 170   3.147 -10.733  -0.774
 1301   2H18  TRR 170          2H18      TRR 170   2.302 -12.269  -0.643
 1302   3H18  TRR 170          3H18      TRR 170   2.478 -11.239   0.770
 1303   1H19  TRR 170          1H19      TRR 170   0.780  -8.554   3.574
 1304   2H19  TRR 170          2H19      TRR 170  -0.630  -9.602   3.621
 1305   3H19  TRR 170          3H19      TRR 170  -0.727  -8.033   2.842
  Start of MODEL    6
    1   1H    THR   1          1H        THR   1  -5.692   9.352   4.480
    2   2H    THR   1          2H        THR   1  -6.739  10.121   3.386
    3   3H    THR   1          3H        THR   1  -5.184  10.746   3.660
    4    HA   THR   1           HA       THR   1  -5.684   8.062   2.508
    5    HB   THR   1           HB       THR   1  -4.765  10.457   0.939
    6    HG1  THR   1           HG1      THR   1  -7.445   9.588   1.257
    7   1HG2  THR   1          1HG2      THR   1  -5.150   9.110  -0.898
    8   2HG2  THR   1          2HG2      THR   1  -6.434   8.204  -0.095
    9   3HG2  THR   1          3HG2      THR   1  -4.745   7.876   0.295
   10    H    ALA   2           HN       ALA   2  -3.887   6.901   2.894
   11    HA   ALA   2           HA       ALA   2  -1.263   8.322   2.786
   12   1HB   ALA   2          1HB       ALA   2  -0.655   7.531   4.828
   13   2HB   ALA   2          2HB       ALA   2  -1.323   5.934   4.496
   14   3HB   ALA   2          3HB       ALA   2  -2.373   7.227   5.075
   15    H    PHE   3           HN       PHE   3   0.497   6.998   1.990
   16    HA   PHE   3           HA       PHE   3  -0.451   4.730   0.287
   17   1HB   PHE   3          2HB       PHE   3   1.839   6.674   0.124
   18   2HB   PHE   3          1HB       PHE   3   1.996   5.102  -0.645
   19    HD1  PHE   3           HD1      PHE   3  -1.450   5.973  -0.679
   20    HD2  PHE   3           HD2      PHE   3   2.288   6.861  -2.612
   21    HE1  PHE   3           HE1      PHE   3  -2.669   6.820  -2.665
   22    HE2  PHE   3           HE2      PHE   3   1.062   7.706  -4.590
   23    HZ   PHE   3           HZ       PHE   3  -1.414   7.688  -4.623
   24    H    LEU   4           HN       LEU   4   0.276   2.643   0.790
   25    HA   LEU   4           HA       LEU   4   2.561   2.461   2.706
   26   1HB   LEU   4          2HB       LEU   4   0.547   2.078   4.002
   27   2HB   LEU   4          1HB       LEU   4  -0.079   0.967   2.788
   28    HG   LEU   4           HG       LEU   4   1.721  -0.621   3.262
   29   1HD1  LEU   4          1HD1      LEU   4   3.648   0.032   4.223
   30   2HD1  LEU   4          2HD1      LEU   4   2.784   0.533   5.676
   31   3HD1  LEU   4          3HD1      LEU   4   3.007   1.668   4.348
   32   1HD2  LEU   4          1HD2      LEU   4   1.014  -1.292   5.477
   33   2HD2  LEU   4          2HD2      LEU   4  -0.379  -0.577   4.667
   34   3HD2  LEU   4          3HD2      LEU   4   0.516   0.353   5.869
   35    H    TRP   5           HN       TRP   5   3.864   1.997   0.793
   36    HA   TRP   5           HA       TRP   5   3.457  -0.800  -0.179
   37   1HB   TRP   5          2HB       TRP   5   3.835  -0.203  -2.422
   38   2HB   TRP   5          1HB       TRP   5   2.792   1.088  -1.832
   39    HD1  TRP   5           HD1      TRP   5   6.136   0.447  -3.337
   40    HE1  TRP   5           HE1      TRP   5   7.471   2.645  -3.512
   41    HE3  TRP   5           HE3      TRP   5   3.209   3.482  -0.462
   42    HZ2  TRP   5           HZ2      TRP   5   7.318   5.334  -2.555
   43    HZ3  TRP   5           HZ3      TRP   5   3.827   5.855  -0.109
   44    HH2  TRP   5           HH2      TRP   5   5.876   6.785  -1.151
   45    H    ALA   6           HN       ALA   6   5.356  -1.998  -0.465
   46    HA   ALA   6           HA       ALA   6   7.814  -0.753   0.653
   47   1HB   ALA   6          1HB       ALA   6   7.625  -2.742   1.797
   48   2HB   ALA   6          2HB       ALA   6   8.459  -3.366   0.374
   49   3HB   ALA   6          3HB       ALA   6   6.706  -3.515   0.505
   50    H    GLN   7           HN       GLN   7   9.492  -0.278  -0.724
   51    HA   GLN   7           HA       GLN   7   9.478  -1.595  -3.406
   52   1HB   GLN   7          2HB       GLN   7  10.250   0.595  -4.366
   53   2HB   GLN   7          1HB       GLN   7   8.604   0.643  -3.736
   54   1HG   GLN   7          2HG       GLN   7   9.154   2.233  -2.243
   55   2HG   GLN   7          1HG       GLN   7  10.497   1.266  -1.635
   56   1HE2  GLN   7          1HE2      GLN   7   9.650   3.434  -4.387
   57   2HE2  GLN   7          2HE2      GLN   7  11.225   4.031  -4.594
   58    H    ASP   8           HN       ASP   8  11.612  -1.655  -4.444
   59    HA   ASP   8           HA       ASP   8  13.718  -2.053  -2.439
   60   1HB   ASP   8          2HB       ASP   8  15.026  -2.932  -4.385
   61   2HB   ASP   8          1HB       ASP   8  13.484  -3.752  -4.149
   62    H    ARG   9           HN       ARG   9  16.020  -1.423  -3.706
   63    HA   ARG   9           HA       ARG   9  16.321   1.342  -3.220
   64   1HB   ARG   9          2HB       ARG   9  18.507   1.111  -4.404
   65   2HB   ARG   9          1HB       ARG   9  18.234  -0.156  -3.209
   66   1HG   ARG   9          2HG       ARG   9  18.771  -1.571  -4.903
   67   2HG   ARG   9          1HG       ARG   9  17.120  -1.280  -5.446
   68   1HD   ARG   9          2HD       ARG   9  18.640  -0.894  -7.311
   69   2HD   ARG   9          1HD       ARG   9  17.956   0.646  -6.806
   70    HE   ARG   9           HE       ARG   9  20.078   1.177  -5.708
   71   1HH1  ARG   9          1HH1      ARG   9  20.055  -1.688  -7.689
   72   2HH1  ARG   9          2HH1      ARG   9  21.775  -1.726  -7.845
   73   1HH2  ARG   9          1HH2      ARG   9  22.310   1.098  -5.922
   74   2HH2  ARG   9          2HH2      ARG   9  23.044  -0.164  -6.854
   75    H    ASP  10           HN       ASP  10  15.798  -0.336  -6.350
   76    HA   ASP  10           HA       ASP  10  15.983   2.117  -7.878
   77   1HB   ASP  10          2HB       ASP  10  15.205  -0.714  -8.417
   78   2HB   ASP  10          1HB       ASP  10  14.652   0.516  -9.555
   79    H    GLY  11           HN       GLY  11  13.391   0.405  -6.252
   80   1HA   GLY  11          2HA       GLY  11  11.438   1.748  -5.537
   81   2HA   GLY  11          1HA       GLY  11  11.553   2.621  -7.064
   82    H    LEU  12           HN       LEU  12  11.721  -0.897  -6.561
   83    HA   LEU  12           HA       LEU  12   9.576  -1.244  -8.570
   84   1HB   LEU  12          2HB       LEU  12  11.622  -2.663  -8.663
   85   2HB   LEU  12          1HB       LEU  12  11.232  -3.299  -7.066
   86    HG   LEU  12           HG       LEU  12   9.087  -4.178  -7.950
   87   1HD1  LEU  12          1HD1      LEU  12   8.895  -4.224 -10.492
   88   2HD1  LEU  12          2HD1      LEU  12  10.155  -2.988 -10.519
   89   3HD1  LEU  12          3HD1      LEU  12   8.611  -2.656  -9.735
   90   1HD2  LEU  12          1HD2      LEU  12  10.043  -6.070  -8.932
   91   2HD2  LEU  12          2HD2      LEU  12  11.425  -5.370  -8.087
   92   3HD2  LEU  12          3HD2      LEU  12  11.236  -5.125  -9.824
   93    H    ILE  13           HN       ILE  13   7.753  -2.808  -8.004
   94    HA   ILE  13           HA       ILE  13   7.179  -2.795  -5.086
   95    HB   ILE  13           HB       ILE  13   4.690  -2.509  -5.881
   96   1HG1  ILE  13          2HG1      ILE  13   5.648  -0.609  -7.891
   97   2HG1  ILE  13          1HG1      ILE  13   5.945  -2.282  -8.355
   98   1HG2  ILE  13          1HG2      ILE  13   4.880  -0.486  -4.896
   99   2HG2  ILE  13          2HG2      ILE  13   6.023   0.094  -6.108
  100   3HG2  ILE  13          3HG2      ILE  13   6.594  -0.870  -4.746
  101   1HD1  ILE  13          1HD1      ILE  13   3.720  -2.766  -8.542
  102   2HD1  ILE  13          2HD1      ILE  13   3.572  -1.022  -8.759
  103   3HD1  ILE  13          3HD1      ILE  13   3.281  -1.741  -7.174
  104    H    GLY  14           HN       GLY  14   5.585  -4.043  -8.080
  105   1HA   GLY  14          2HA       GLY  14   6.075  -6.794  -7.139
  106   2HA   GLY  14          1HA       GLY  14   4.387  -6.288  -7.137
  107    H    LYS  15           HN       LYS  15   5.802  -8.333  -8.807
  108    HA   LYS  15           HA       LYS  15   4.997  -7.227 -11.465
  109   1HB   LYS  15          2HB       LYS  15   7.517  -7.430 -11.125
  110   2HB   LYS  15          1HB       LYS  15   7.275  -9.175 -11.059
  111   1HG   LYS  15          2HG       LYS  15   5.891  -7.983 -13.334
  112   2HG   LYS  15          1HG       LYS  15   7.620  -7.644 -13.371
  113   1HD   LYS  15          2HD       LYS  15   7.080 -10.408 -12.607
  114   2HD   LYS  15          1HD       LYS  15   6.394 -10.016 -14.183
  115   1HE   LYS  15          2HE       LYS  15   8.518 -10.527 -14.885
  116   2HE   LYS  15          1HE       LYS  15   8.801  -8.839 -14.463
  117   1HZ   LYS  15          1HE       LYS  15   9.413 -11.252 -12.866
  118   2HZ   LYS  15          2HE       LYS  15   9.343  -9.706 -12.165
  119   3HZ   LYS  15          3HE       LYS  15  10.477 -10.038 -13.387
  120    H    ASP  16           HN       ASP  16   3.702  -8.567 -12.663
  121    HA   ASP  16           HA       ASP  16   2.389 -10.418 -13.227
  122   1HB   ASP  16          2HB       ASP  16   4.898 -11.520 -12.212
  123   2HB   ASP  16          1HB       ASP  16   3.535 -12.609 -11.951
  124    H    GLY  17           HN       GLY  17   1.893  -8.902 -10.710
  125   1HA   GLY  17          2HA       GLY  17   0.057  -9.134  -9.199
  126   2HA   GLY  17          1HA       GLY  17   0.040 -10.864  -9.525
  127    H    HIS  18           HN       HIS  18   1.990 -12.083  -8.635
  128    HA   HIS  18           HA       HIS  18   2.165 -11.782  -5.835
  129   1HB   HIS  18          2HB       HIS  18   4.135 -13.328  -6.011
  130   2HB   HIS  18          1HB       HIS  18   2.725 -13.884  -6.910
  131    HD1  HIS  18           HD1      HIS  18   6.076 -12.196  -7.448
  132    HD2  HIS  18           HD2      HIS  18   3.104 -14.089  -9.678
  133    HE1  HIS  18           HE1      HIS  18   7.000 -12.466  -9.791
  134    H    LEU  19           HN       LEU  19   4.853 -11.845  -5.112
  135    HA   LEU  19           HA       LEU  19   5.708  -9.051  -5.744
  136   1HB   LEU  19          2HB       LEU  19   5.821 -10.733  -3.272
  137   2HB   LEU  19          1HB       LEU  19   7.129  -9.580  -3.545
  138    HG   LEU  19           HG       LEU  19   4.230  -8.767  -3.763
  139   1HD1  LEU  19          1HD1      LEU  19   6.015  -8.663  -1.311
  140   2HD1  LEU  19          2HD1      LEU  19   4.608  -9.708  -1.509
  141   3HD1  LEU  19          3HD1      LEU  19   4.404  -7.957  -1.439
  142   1HD2  LEU  19          1HD2      LEU  19   5.491  -6.574  -2.991
  143   2HD2  LEU  19          2HD2      LEU  19   5.544  -7.074  -4.681
  144   3HD2  LEU  19          3HD2      LEU  19   6.908  -7.417  -3.617
  145    HA   PRO  20           HA       PRO  20   9.475 -10.690  -7.424
  146   1HB   PRO  20          2HB       PRO  20  11.094  -8.472  -6.713
  147   2HB   PRO  20          1HB       PRO  20  10.198  -8.695  -8.223
  148   1HG   PRO  20          2HG       PRO  20   9.690  -6.762  -6.255
  149   2HG   PRO  20          1HG       PRO  20   8.637  -7.186  -7.610
  150   1HD   PRO  20          2HD       PRO  20   8.449  -7.981  -4.753
  151   2HD   PRO  20          1HD       PRO  20   7.164  -7.808  -5.969
  152    H    TRP  21           HN       TRP  21   9.628  -9.371  -4.123
  153    HA   TRP  21           HA       TRP  21  11.842 -11.295  -3.548
  154   1HB   TRP  21          2HB       TRP  21  12.476  -9.669  -1.740
  155   2HB   TRP  21          1HB       TRP  21  12.617  -8.988  -3.362
  156    HD1  TRP  21           HD1      TRP  21  10.176  -9.037  -0.378
  157    HE1  TRP  21           HE1      TRP  21   8.758  -6.885  -0.449
  158    HE3  TRP  21           HE3      TRP  21  11.849  -7.022  -4.765
  159    HZ2  TRP  21           HZ2      TRP  21   8.384  -4.607  -2.139
  160    HZ3  TRP  21           HZ3      TRP  21  10.946  -4.860  -5.580
  161    HH2  TRP  21           HH2      TRP  21   9.217  -3.652  -4.274
  162    H    HIS  22           HN       HIS  22  11.609 -12.558  -1.687
  163    HA   HIS  22           HA       HIS  22   8.901 -12.557  -0.463
  164   1HB   HIS  22          2HB       HIS  22  10.226 -14.659  -1.353
  165   2HB   HIS  22          1HB       HIS  22  11.041 -14.558   0.208
  166    HD1  HIS  22           HD1      HIS  22   7.640 -15.118  -1.324
  167    HD2  HIS  22           HD2      HIS  22   9.446 -15.273   2.430
  168    HE1  HIS  22           HE1      HIS  22   5.961 -16.197   0.235
  169    H    LEU  23           HN       LEU  23   8.993 -10.848   1.034
  170    HA   LEU  23           HA       LEU  23  11.035 -11.159   3.200
  171   1HB   LEU  23          2HB       LEU  23  11.486  -9.165   1.788
  172   2HB   LEU  23          1HB       LEU  23   9.869  -8.563   2.147
  173    HG   LEU  23           HG       LEU  23  10.515  -8.721   4.620
  174   1HD1  LEU  23          1HD1      LEU  23  12.758  -9.000   5.231
  175   2HD1  LEU  23          2HD1      LEU  23  13.344  -8.621   3.612
  176   3HD1  LEU  23          3HD1      LEU  23  12.577 -10.177   3.930
  177   1HD2  LEU  23          1HD2      LEU  23  10.680  -6.670   2.873
  178   2HD2  LEU  23          2HD2      LEU  23  12.377  -6.784   3.332
  179   3HD2  LEU  23          3HD2      LEU  23  11.148  -6.507   4.566
  180    HA   PRO  24           HA       PRO  24   7.104 -11.680   5.422
  181   1HB   PRO  24          2HB       PRO  24   8.572 -12.546   7.705
  182   2HB   PRO  24          1HB       PRO  24   7.666 -13.548   6.563
  183   1HG   PRO  24          2HG       PRO  24  10.484 -13.403   6.896
  184   2HG   PRO  24          1HG       PRO  24   9.578 -14.346   5.706
  185   1HD   PRO  24          2HD       PRO  24  11.118 -11.919   5.308
  186   2HD   PRO  24          1HD       PRO  24  10.391 -12.986   4.098
  187    H    ASP  25           HN       ASP  25  10.098 -10.231   6.680
  188    HA   ASP  25           HA       ASP  25   8.979  -8.830   8.881
  189   1HB   ASP  25          2HB       ASP  25  11.483  -9.085   7.883
  190   2HB   ASP  25          1HB       ASP  25  11.105  -7.453   7.332
  191    H    ASP  26           HN       ASP  26   8.842  -8.178   5.442
  192    HA   ASP  26           HA       ASP  26   7.950  -5.411   5.793
  193   1HB   ASP  26          2HB       ASP  26   9.118  -5.921   3.748
  194   2HB   ASP  26          1HB       ASP  26   8.037  -7.269   3.398
  195    H    LEU  27           HN       LEU  27   6.447  -8.561   5.049
  196    HA   LEU  27           HA       LEU  27   3.790  -7.663   4.655
  197   1HB   LEU  27          2HB       LEU  27   4.768 -10.219   5.969
  198   2HB   LEU  27          1HB       LEU  27   3.117  -9.941   5.413
  199    HG   LEU  27           HG       LEU  27   5.377  -9.499   3.495
  200   1HD1  LEU  27          1HD1      LEU  27   4.529 -12.105   3.018
  201   2HD1  LEU  27          2HD1      LEU  27   4.700 -12.044   4.772
  202   3HD1  LEU  27          3HD1      LEU  27   6.069 -11.638   3.739
  203   1HD2  LEU  27          1HD2      LEU  27   2.447  -9.965   3.463
  204   2HD2  LEU  27          2HD2      LEU  27   3.354 -10.748   2.170
  205   3HD2  LEU  27          3HD2      LEU  27   3.443  -8.999   2.374
  206    H    HIS  28           HN       HIS  28   5.513  -8.479   7.666
  207    HA   HIS  28           HA       HIS  28   3.320  -8.080   9.449
  208   1HB   HIS  28          2HB       HIS  28   6.295  -7.662   9.884
  209   2HB   HIS  28          1HB       HIS  28   5.091  -7.695  11.173
  210    HD1  HIS  28           HD1      HIS  28   3.378 -10.032  10.597
  211    HD2  HIS  28           HD2      HIS  28   7.478 -10.150   9.854
  212    HE1  HIS  28           HE1      HIS  28   4.026 -12.479  10.546
  213    H    TYR  29           HN       TYR  29   5.761  -5.834   8.159
  214    HA   TYR  29           HA       TYR  29   4.907  -3.534   9.644
  215   1HB   TYR  29          2HB       TYR  29   7.050  -3.813   8.251
  216   2HB   TYR  29          1HB       TYR  29   6.048  -3.462   6.842
  217    HD1  TYR  29           HD1      TYR  29   6.803  -2.124  10.264
  218    HD2  TYR  29           HD2      TYR  29   5.733  -1.238   6.200
  219    HE1  TYR  29           HE1      TYR  29   6.973   0.302  10.748
  220    HE2  TYR  29           HE2      TYR  29   5.902   1.188   6.684
  221    HH   TYR  29           HH       TYR  29   7.054   2.660   8.313
  222    H    PHE  30           HN       PHE  30   3.803  -5.035   6.665
  223    HA   PHE  30           HA       PHE  30   2.085  -2.886   5.810
  224   1HB   PHE  30          2HB       PHE  30   2.809  -4.692   4.287
  225   2HB   PHE  30          1HB       PHE  30   1.908  -5.864   5.247
  226    HD1  PHE  30           HD1      PHE  30   1.220  -2.446   3.846
  227    HD2  PHE  30           HD2      PHE  30  -0.096  -6.515   4.268
  228    HE1  PHE  30           HE1      PHE  30  -0.840  -1.912   2.573
  229    HE2  PHE  30           HE2      PHE  30  -2.155  -5.981   2.994
  230    HZ   PHE  30           HZ       PHE  30  -2.525  -3.680   2.147
  231    H    ARG  31           HN       ARG  31   1.432  -5.930   7.569
  232    HA   ARG  31           HA       ARG  31  -1.346  -5.405   8.018
  233   1HB   ARG  31          2HB       ARG  31  -0.576  -7.649   8.275
  234   2HB   ARG  31          1HB       ARG  31   0.697  -7.165   9.391
  235   1HG   ARG  31          2HG       ARG  31  -1.771  -6.297  10.523
  236   2HG   ARG  31          1HG       ARG  31  -2.000  -7.961   9.989
  237   1HD   ARG  31          2HD       ARG  31  -0.193  -8.752  11.304
  238   2HD   ARG  31          1HD       ARG  31   0.442  -7.130  11.554
  239    HE   ARG  31           HE       ARG  31  -1.507  -6.695  13.035
  240   1HH1  ARG  31          1HH2      ARG  31  -0.835  -9.995  12.141
  241   2HH1  ARG  31          2HH2      ARG  31  -1.658 -10.648  13.513
  242   1HH2  ARG  31          1HH1      ARG  31  -2.572  -7.572  14.802
  243   2HH2  ARG  31          2HH1      ARG  31  -2.634  -9.291  15.007
  244    H    ALA  32           HN       ALA  32   1.568  -4.689   9.938
  245    HA   ALA  32           HA       ALA  32   0.161  -3.652  12.215
  246   1HB   ALA  32          1HB       ALA  32   2.679  -4.333  11.907
  247   2HB   ALA  32          2HB       ALA  32   2.258  -3.037  13.026
  248   3HB   ALA  32          3HB       ALA  32   2.876  -2.650  11.420
  249    H    GLN  33           HN       GLN  33   1.519  -2.077   9.320
  250    HA   GLN  33           HA       GLN  33   0.875   0.599  10.168
  251   1HB   GLN  33          2HB       GLN  33   1.491  -0.621   7.475
  252   2HB   GLN  33          1HB       GLN  33   1.153   1.099   7.674
  253   1HG   GLN  33          2HG       GLN  33   3.110   0.019   9.600
  254   2HG   GLN  33          1HG       GLN  33   3.643  -0.029   7.920
  255   1HE2  GLN  33          1HE2      GLN  33   1.635   2.370   9.729
  256   2HE2  GLN  33          2HE2      GLN  33   2.607   3.701   9.326
  257    H    THR  34           HN       THR  34  -1.143  -1.925   9.055
  258    HA   THR  34           HA       THR  34  -3.232   0.092   8.313
  259    HB   THR  34           HB       THR  34  -4.273  -1.781   6.987
  260    HG1  THR  34           HG1      THR  34  -1.753  -3.004   7.403
  261   1HG2  THR  34          1HG2      THR  34  -2.347  -1.757   5.238
  262   2HG2  THR  34          2HG2      THR  34  -1.537  -0.684   6.380
  263   3HG2  THR  34          3HG2      THR  34  -3.092  -0.222   5.687
  264    H    VAL  35           HN       VAL  35  -2.574  -1.062  11.018
  265    HA   VAL  35           HA       VAL  35  -4.789  -2.878  11.611
  266    HB   VAL  35           HB       VAL  35  -4.056  -2.629  13.960
  267   1HG1  VAL  35          1HG1      VAL  35  -2.761  -3.923  11.976
  268   2HG1  VAL  35          2HG1      VAL  35  -2.213  -3.957  13.653
  269   3HG1  VAL  35          3HG1      VAL  35  -1.475  -2.840  12.505
  270   1HG2  VAL  35          1HG2      VAL  35  -1.685  -1.203  13.829
  271   2HG2  VAL  35          2HG2      VAL  35  -3.201  -0.592  14.489
  272   3HG2  VAL  35          3HG2      VAL  35  -2.767  -0.245  12.816
  273    H    GLY  36           HN       GLY  36  -6.846  -2.114  11.689
  274   1HA   GLY  36          2HA       GLY  36  -8.648  -0.825  12.479
  275   2HA   GLY  36          1HA       GLY  36  -7.502   0.135  13.410
  276    H    LYS  37           HN       LYS  37  -6.662  -0.108  10.084
  277    HA   LYS  37           HA       LYS  37  -7.888   2.586   9.613
  278   1HB   LYS  37          2HB       LYS  37  -5.185   1.498   8.794
  279   2HB   LYS  37          1HB       LYS  37  -5.880   2.960   8.095
  280   1HG   LYS  37          2HG       LYS  37  -5.613   4.177  10.022
  281   2HG   LYS  37          1HG       LYS  37  -5.872   2.778  11.065
  282   1HD   LYS  37          2HD       LYS  37  -3.598   1.933  10.159
  283   2HD   LYS  37          1HD       LYS  37  -3.358   3.593   9.613
  284   1HE   LYS  37          2HE       LYS  37  -3.059   4.381  11.729
  285   2HE   LYS  37          1HE       LYS  37  -4.306   3.331  12.401
  286   1HZ   LYS  37          1HE       LYS  37  -1.462   2.778  11.935
  287   2HZ   LYS  37          2HE       LYS  37  -2.568   1.490  11.856
  288   3HZ   LYS  37          3HE       LYS  37  -2.427   2.406  13.280
  289    H    ILE  38           HN       ILE  38  -8.148   3.073   7.200
  290    HA   ILE  38           HA       ILE  38  -9.492   0.796   5.931
  291    HB   ILE  38           HB       ILE  38  -8.966   3.576   4.838
  292   1HG1  ILE  38          2HG1      ILE  38 -11.452   2.524   6.215
  293   2HG1  ILE  38          1HG1      ILE  38 -10.228   3.504   7.022
  294   1HG2  ILE  38          1HG2      ILE  38  -9.802   1.392   3.458
  295   2HG2  ILE  38          2HG2      ILE  38 -10.321   3.034   3.080
  296   3HG2  ILE  38          3HG2      ILE  38 -11.347   1.989   4.061
  297   1HD1  ILE  38          1HD1      ILE  38 -12.009   4.972   6.241
  298   2HD1  ILE  38          2HD1      ILE  38 -11.876   4.312   4.610
  299   3HD1  ILE  38          3HD1      ILE  38 -10.559   5.270   5.283
  300    H    MET  39           HN       MET  39  -8.437  -0.636   4.637
  301    HA   MET  39           HA       MET  39  -5.848   0.209   3.413
  302   1HB   MET  39          2HB       MET  39  -5.919  -1.843   4.892
  303   2HB   MET  39          1HB       MET  39  -6.957  -2.598   3.682
  304   1HG   MET  39          2HG       MET  39  -4.837  -1.577   2.188
  305   2HG   MET  39          1HG       MET  39  -4.063  -2.192   3.648
  306   1HE   MET  39          1HE       MET  39  -5.378  -4.816   4.625
  307   2HE   MET  39          2HE       MET  39  -3.730  -4.272   4.327
  308   3HE   MET  39          3HE       MET  39  -4.277  -5.806   3.657
  309    H    VAL  40           HN       VAL  40  -6.148   0.943   1.345
  310    HA   VAL  40           HA       VAL  40  -8.384  -0.124  -0.264
  311    HB   VAL  40           HB       VAL  40  -6.359   1.996  -1.011
  312   1HG1  VAL  40          1HG1      VAL  40  -7.574   1.084  -2.910
  313   2HG1  VAL  40          2HG1      VAL  40  -8.209   2.690  -2.549
  314   3HG1  VAL  40          3HG1      VAL  40  -9.104   1.254  -2.051
  315   1HG2  VAL  40          1HG2      VAL  40  -8.565   3.402  -0.424
  316   2HG2  VAL  40          2HG2      VAL  40  -7.350   3.031   0.800
  317   3HG2  VAL  40          3HG2      VAL  40  -8.815   2.056   0.686
  318    H    VAL  41           HN       VAL  41  -8.080  -1.823  -1.556
  319    HA   VAL  41           HA       VAL  41  -5.431  -2.167  -2.901
  320    HB   VAL  41           HB       VAL  41  -5.791  -4.666  -2.653
  321   1HG1  VAL  41          1HG1      VAL  41  -5.200  -4.588  -0.133
  322   2HG1  VAL  41          2HG1      VAL  41  -5.297  -2.836  -0.315
  323   3HG1  VAL  41          3HG1      VAL  41  -4.131  -3.760  -1.263
  324   1HG2  VAL  41          1HG2      VAL  41  -8.039  -3.612  -0.952
  325   2HG2  VAL  41          2HG2      VAL  41  -7.252  -5.127  -0.519
  326   3HG2  VAL  41          3HG2      VAL  41  -8.042  -4.961  -2.087
  327    H    GLY  42           HN       GLY  42  -5.632  -2.428  -5.083
  328   1HA   GLY  42          2HA       GLY  42  -8.182  -2.269  -6.371
  329   2HA   GLY  42          1HA       GLY  42  -6.658  -2.634  -7.176
  330    H    ARG  43           HN       ARG  43  -9.248  -3.855  -7.672
  331    HA   ARG  43           HA       ARG  43  -9.727  -6.353  -6.534
  332   1HB   ARG  43          2HB       ARG  43 -11.079  -5.192  -8.324
  333   2HB   ARG  43          1HB       ARG  43  -9.898  -5.765  -9.499
  334   1HG   ARG  43          2HG       ARG  43 -10.984  -7.818  -7.653
  335   2HG   ARG  43          1HG       ARG  43 -12.121  -7.165  -8.830
  336   1HD   ARG  43          2HD       ARG  43  -9.384  -8.258  -9.548
  337   2HD   ARG  43          1HD       ARG  43 -10.877  -9.185  -9.657
  338    HE   ARG  43           HE       ARG  43 -11.106  -6.699 -11.109
  339   1HH1  ARG  43          1HH2      ARG  43  -9.736  -9.890 -11.188
  340   2HH1  ARG  43          2HH2      ARG  43  -9.717  -9.966 -12.917
  341   1HH2  ARG  43          1HH1      ARG  43 -11.072  -6.808 -13.352
  342   2HH2  ARG  43          2HH1      ARG  43 -10.474  -8.232 -14.139
  343    H    ARG  44           HN       ARG  44  -7.007  -5.467  -8.545
  344    HA   ARG  44           HA       ARG  44  -6.425  -8.237  -9.302
  345   1HB   ARG  44          2HB       ARG  44  -5.264  -5.570  -9.815
  346   2HB   ARG  44          1HB       ARG  44  -4.115  -6.907  -9.806
  347   1HG   ARG  44          2HG       ARG  44  -5.887  -8.098 -11.318
  348   2HG   ARG  44          1HG       ARG  44  -6.493  -6.466 -11.598
  349   1HD   ARG  44          2HD       ARG  44  -4.593  -5.804 -12.733
  350   2HD   ARG  44          1HD       ARG  44  -3.552  -6.929 -11.860
  351    HE   ARG  44           HE       ARG  44  -5.389  -8.418 -13.467
  352   1HH1  ARG  44          1HH1      ARG  44  -2.631  -6.324 -13.696
  353   2HH1  ARG  44          2HH1      ARG  44  -2.071  -7.029 -15.174
  354   1HH2  ARG  44          1HH2      ARG  44  -4.653  -9.328 -15.387
  355   2HH2  ARG  44          2HH2      ARG  44  -3.209  -8.722 -16.128
  356    H    THR  45           HN       THR  45  -5.042  -5.839  -7.028
  357    HA   THR  45           HA       THR  45  -3.093  -7.711  -5.975
  358    HB   THR  45           HB       THR  45  -4.208  -5.319  -4.497
  359    HG1  THR  45           HG1      THR  45  -2.288  -5.444  -6.577
  360   1HG2  THR  45          1HG2      THR  45  -1.363  -6.301  -4.585
  361   2HG2  THR  45          2HG2      THR  45  -2.538  -7.050  -3.503
  362   3HG2  THR  45          3HG2      THR  45  -2.160  -5.335  -3.343
  363    H    TYR  46           HN       TYR  46  -6.391  -6.779  -5.077
  364    HA   TYR  46           HA       TYR  46  -6.521  -8.119  -2.566
  365   1HB   TYR  46          2HB       TYR  46  -8.278  -6.562  -3.564
  366   2HB   TYR  46          1HB       TYR  46  -8.820  -7.942  -4.522
  367    HD1  TYR  46           HD1      TYR  46 -10.179  -9.639  -3.568
  368    HD2  TYR  46           HD2      TYR  46  -8.220  -6.786  -1.028
  369    HE1  TYR  46           HE1      TYR  46 -11.454 -10.497  -1.621
  370    HE2  TYR  46           HE2      TYR  46  -9.495  -7.640   0.919
  371    HH   TYR  46           HH       TYR  46 -12.128  -9.887   0.551
  372    H    GLU  47           HN       GLU  47  -7.421  -9.302  -5.820
  373    HA   GLU  47           HA       GLU  47  -7.984 -11.982  -4.943
  374   1HB   GLU  47          2HB       GLU  47  -7.634 -10.585  -7.536
  375   2HB   GLU  47          1HB       GLU  47  -7.309 -12.318  -7.554
  376   1HG   GLU  47          HG2       GLU  47  -9.688 -11.838  -8.054
  377   2HG   GLU  47          HG1       GLU  47  -9.514 -12.760  -6.561
  378    H    SER  48           HN       SER  48  -5.039 -10.277  -5.414
  379    HA   SER  48           HA       SER  48  -3.465 -12.748  -5.824
  380   1HB   SER  48          2HB       SER  48  -1.588 -11.319  -6.166
  381   2HB   SER  48          1HB       SER  48  -2.938 -10.509  -6.954
  382    HG   SER  48           HG       SER  48  -1.708  -9.107  -5.601
  383    H    PHE  49           HN       PHE  49  -4.401 -10.548  -3.283
  384    HA   PHE  49           HA       PHE  49  -2.464 -10.840  -1.325
  385   1HB   PHE  49          2HB       PHE  49  -5.379 -10.449  -1.337
  386   2HB   PHE  49          1HB       PHE  49  -4.779 -11.196   0.142
  387    HD1  PHE  49           HD1      PHE  49  -3.094 -10.038   1.545
  388    HD2  PHE  49           HD2      PHE  49  -4.816  -8.173  -1.917
  389    HE1  PHE  49           HE1      PHE  49  -2.284  -7.832   2.330
  390    HE2  PHE  49           HE2      PHE  49  -4.008  -5.966  -1.134
  391    HZ   PHE  49           HZ       PHE  49  -2.738  -5.794   0.990
  392    HA   PRO  50           HA       PRO  50  -2.262 -15.199  -0.413
  393   1HB   PRO  50          2HB       PRO  50  -1.025 -14.869   2.087
  394   2HB   PRO  50          1HB       PRO  50  -0.207 -15.034   0.527
  395   1HG   PRO  50          2HG       PRO  50  -0.363 -12.723   2.210
  396   2HG   PRO  50          1HG       PRO  50   0.482 -12.905   0.667
  397   1HD   PRO  50          2HD       PRO  50  -2.031 -11.550   1.222
  398   2HD   PRO  50          1HD       PRO  50  -1.053 -11.523  -0.252
  399    H    LYS  51           HN       LYS  51  -2.904 -13.267   2.548
  400    HA   LYS  51           HA       LYS  51  -5.151 -15.158   3.126
  401   1HB   LYS  51          2HB       LYS  51  -2.910 -14.868   4.657
  402   2HB   LYS  51          1HB       LYS  51  -3.969 -13.665   5.392
  403   1HG   LYS  51          2HG       LYS  51  -4.861 -15.398   6.547
  404   2HG   LYS  51          1HG       LYS  51  -5.664 -15.822   5.035
  405   1HD   LYS  51          2HD       LYS  51  -3.509 -17.108   4.454
  406   2HD   LYS  51          1HD       LYS  51  -3.093 -16.936   6.160
  407   1HE   LYS  51          2HE       LYS  51  -4.923 -18.230   6.868
  408   2HE   LYS  51          1HE       LYS  51  -5.789 -18.004   5.348
  409   1HZ   LYS  51          1HE       LYS  51  -4.463 -20.208   5.903
  410   2HZ   LYS  51          2HE       LYS  51  -3.188 -19.321   5.215
  411   3HZ   LYS  51          3HE       LYS  51  -4.603 -19.613   4.321
  412    H    ARG  52           HN       ARG  52  -6.835 -13.902   2.312
  413    HA   ARG  52           HA       ARG  52  -7.251 -11.283   3.689
  414   1HB   ARG  52          2HB       ARG  52  -8.406 -10.558   1.524
  415   2HB   ARG  52          1HB       ARG  52  -6.648 -10.676   1.457
  416   1HG   ARG  52          2HG       ARG  52  -6.718 -12.339  -0.075
  417   2HG   ARG  52          1HG       ARG  52  -7.958 -13.216   0.822
  418   1HD   ARG  52          2HD       ARG  52  -9.712 -11.985  -0.180
  419   2HD   ARG  52          1HD       ARG  52  -8.618 -10.731  -0.758
  420    HE   ARG  52           HE       ARG  52  -7.656 -12.628  -2.248
  421   1HH1  ARG  52          1HH1      ARG  52 -10.962 -12.457  -1.167
  422   2HH1  ARG  52          2HH1      ARG  52 -11.563 -13.354  -2.517
  423   1HH2  ARG  52          1HH2      ARG  52  -8.462 -13.788  -3.987
  424   2HH2  ARG  52          2HH2      ARG  52 -10.162 -14.101  -4.102
  425    HA   PRO  53           HA       PRO  53  -8.797  -9.769   3.671
  426   1HB   PRO  53          2HB       PRO  53 -10.622  -9.118   5.693
  427   2HB   PRO  53          1HB       PRO  53 -10.835  -8.814   3.963
  428   1HG   PRO  53          2HG       PRO  53 -12.275 -10.646   5.624
  429   2HG   PRO  53          1HG       PRO  53 -12.491 -10.330   3.896
  430   1HD   PRO  53          2HD       PRO  53 -11.163 -12.585   5.203
  431   2HD   PRO  53          1HD       PRO  53 -11.687 -12.416   3.520
  432    H    LEU  54           HN       LEU  54  -8.129  -8.491   5.713
  433    HA   LEU  54           HA       LEU  54  -6.659 -10.338   7.477
  434   1HB   LEU  54          2HB       LEU  54  -6.639  -7.337   7.115
  435   2HB   LEU  54          1HB       LEU  54  -5.727  -8.137   8.397
  436    HG   LEU  54           HG       LEU  54  -5.378  -9.357   5.736
  437   1HD1  LEU  54          1HD1      LEU  54  -4.983  -7.459   4.587
  438   2HD1  LEU  54          2HD1      LEU  54  -3.601  -7.183   5.647
  439   3HD1  LEU  54          3HD1      LEU  54  -5.167  -6.475   6.039
  440   1HD2  LEU  54          1HD2      LEU  54  -3.081  -8.289   7.256
  441   2HD2  LEU  54          2HD2      LEU  54  -3.361  -9.917   6.639
  442   3HD2  LEU  54          3HD2      LEU  54  -4.094  -9.413   8.162
  443    HA   PRO  55           HA       PRO  55  -9.449 -10.020  10.909
  444   1HB   PRO  55          2HB       PRO  55  -7.534 -10.505  12.903
  445   2HB   PRO  55          1HB       PRO  55  -8.463 -11.727  12.025
  446   1HG   PRO  55          2HG       PRO  55  -5.657 -11.169  11.856
  447   2HG   PRO  55          1HG       PRO  55  -6.582 -12.423  11.019
  448   1HD   PRO  55          2HD       PRO  55  -5.553  -9.914   9.971
  449   2HD   PRO  55          1HD       PRO  55  -6.271 -11.277   9.098
  450    H    GLU  56           HN       GLU  56 -10.083  -8.530  12.493
  451    HA   GLU  56           HA       GLU  56 -10.176  -6.393  13.472
  452   1HB   GLU  56          2HB       GLU  56  -7.586  -7.636  14.203
  453   2HB   GLU  56          1HB       GLU  56  -7.701  -5.898  14.480
  454   1HG   GLU  56          HG2       GLU  56 -10.154  -6.992  15.370
  455   2HG   GLU  56          HG1       GLU  56  -8.890  -8.051  15.995
  456    H    ARG  57           HN       ARG  57  -9.465  -6.450  10.607
  457    HA   ARG  57           HA       ARG  57  -8.192  -3.766  10.505
  458   1HB   ARG  57          2HB       ARG  57  -7.180  -6.271   9.226
  459   2HB   ARG  57          1HB       ARG  57  -7.054  -4.769   8.311
  460   1HG   ARG  57          2HG       ARG  57  -5.249  -4.191   9.521
  461   2HG   ARG  57          1HG       ARG  57  -6.236  -4.198  10.981
  462   1HD   ARG  57          2HD       ARG  57  -5.694  -6.916  10.293
  463   2HD   ARG  57          1HD       ARG  57  -4.170  -6.033  10.235
  464    HE   ARG  57           HE       ARG  57  -5.322  -5.187  12.604
  465   1HH1  ARG  57          1HH2      ARG  57  -4.575  -8.261  11.171
  466   2HH1  ARG  57          2HH2      ARG  57  -4.332  -9.043  12.695
  467   1HH2  ARG  57          1HH1      ARG  57  -4.999  -6.213  14.576
  468   2HH2  ARG  57          2HH1      ARG  57  -4.574  -7.891  14.614
  469    H    THR  58           HN       THR  58  -9.052  -2.459   8.894
  470    HA   THR  58           HA       THR  58 -11.435  -3.537   7.505
  471    HB   THR  58           HB       THR  58 -10.455  -0.680   7.433
  472    HG1  THR  58           HG1      THR  58 -10.771  -0.693   9.500
  473   1HG2  THR  58          1HG2      THR  58 -12.656  -2.069   6.322
  474   2HG2  THR  58          2HG2      THR  58 -12.387  -0.326   6.341
  475   3HG2  THR  58          3HG2      THR  58 -13.300  -1.090   7.641
  476    H    ASN  59           HN       ASN  59 -11.335  -4.117   5.393
  477    HA   ASN  59           HA       ASN  59  -9.073  -3.037   3.755
  478   1HB   ASN  59          2HB       ASN  59 -10.274  -5.801   3.900
  479   2HB   ASN  59          1HB       ASN  59  -9.402  -5.263   2.463
  480   1HD2  ASN  59          1HD2      ASN  59  -8.958  -5.322   6.050
  481   2HD2  ASN  59          2HD2      ASN  59  -7.295  -5.652   5.981
  482    H    VAL  60           HN       VAL  60  -9.673  -2.050   1.847
  483    HA   VAL  60           HA       VAL  60 -12.530  -2.346   1.006
  484    HB   VAL  60           HB       VAL  60 -10.700   0.009   0.470
  485   1HG1  VAL  60          1HG1      VAL  60 -13.504  -0.729  -0.152
  486   2HG1  VAL  60          2HG1      VAL  60 -12.399   0.335  -1.022
  487   3HG1  VAL  60          3HG1      VAL  60 -13.260   0.929   0.398
  488   1HG2  VAL  60          1HG2      VAL  60 -11.092  -0.296   2.922
  489   2HG2  VAL  60          2HG2      VAL  60 -12.829  -0.255   2.622
  490   3HG2  VAL  60          3HG2      VAL  60 -11.847   1.169   2.295
  491    H    VAL  61           HN       VAL  61 -12.834  -3.039  -1.116
  492    HA   VAL  61           HA       VAL  61 -10.365  -3.426  -2.733
  493    HB   VAL  61           HB       VAL  61 -13.106  -4.594  -3.274
  494   1HG1  VAL  61          1HG1      VAL  61 -12.027  -5.960  -4.805
  495   2HG1  VAL  61          2HG1      VAL  61 -10.485  -5.873  -3.953
  496   3HG1  VAL  61          3HG1      VAL  61 -11.030  -4.511  -4.931
  497   1HG2  VAL  61          1HG2      VAL  61 -10.837  -5.893  -1.734
  498   2HG2  VAL  61          2HG2      VAL  61 -12.434  -6.574  -2.046
  499   3HG2  VAL  61          3HG2      VAL  61 -12.261  -5.187  -0.970
  500    H    LEU  62           HN       LEU  62 -10.302  -2.661  -4.896
  501    HA   LEU  62           HA       LEU  62 -12.442  -0.682  -5.581
  502   1HB   LEU  62          2HB       LEU  62  -9.574  -0.369  -5.354
  503   2HB   LEU  62          1HB       LEU  62 -10.078  -0.051  -7.014
  504    HG   LEU  62           HG       LEU  62 -11.922   1.422  -6.005
  505   1HD1  LEU  62          1HD1      LEU  62 -11.338   0.342  -3.663
  506   2HD1  LEU  62          2HD1      LEU  62 -11.824   2.035  -3.761
  507   3HD1  LEU  62          3HD1      LEU  62 -10.120   1.616  -3.618
  508   1HD2  LEU  62          1HD2      LEU  62  -9.387   1.997  -6.848
  509   2HD2  LEU  62          2HD2      LEU  62  -9.346   2.657  -5.214
  510   3HD2  LEU  62          3HD2      LEU  62 -10.558   3.223  -6.363
  511    H    THR  63           HN       THR  63 -13.585  -1.336  -7.361
  512    HA   THR  63           HA       THR  63 -12.121  -2.588  -9.601
  513    HB   THR  63           HB       THR  63 -12.844  -4.487  -8.162
  514    HG1  THR  63           HG1      THR  63 -12.891  -4.498 -10.550
  515   1HG2  THR  63          1HG2      THR  63 -15.036  -4.817  -7.492
  516   2HG2  THR  63          2HG2      THR  63 -15.695  -3.881  -8.832
  517   3HG2  THR  63          3HG2      THR  63 -14.959  -3.056  -7.458
  518    H    HIS  64           HN       HIS  64 -13.449  -2.641 -11.571
  519    HA   HIS  64           HA       HIS  64 -15.391  -0.402 -11.594
  520   1HB   HIS  64          2HB       HIS  64 -13.735  -1.805 -13.670
  521   2HB   HIS  64          1HB       HIS  64 -15.174  -0.916 -14.169
  522    HD1  HIS  64           HD1      HIS  64 -15.247   1.642 -12.986
  523    HD2  HIS  64           HD2      HIS  64 -11.531  -0.159 -13.555
  524    HE1  HIS  64           HE1      HIS  64 -13.529   3.502 -12.901
  525    H    GLN  65           HN       GLN  65 -15.761  -3.479 -10.834
  526    HA   GLN  65           HA       GLN  65 -17.771  -4.329 -12.770
  527   1HB   GLN  65          2HB       GLN  65 -16.631  -5.402 -10.218
  528   2HB   GLN  65          1HB       GLN  65 -18.192  -6.019 -10.760
  529   1HG   GLN  65          2HG       GLN  65 -16.883  -7.470 -11.951
  530   2HG   GLN  65          1HG       GLN  65 -16.822  -6.127 -13.093
  531   1HE2  GLN  65          1HE2      GLN  65 -14.895  -4.633 -12.888
  532   2HE2  GLN  65          2HE2      GLN  65 -13.437  -5.258 -12.283
  533    H    GLU  66           HN       GLU  66 -19.952  -5.139 -11.552
  534    HA   GLU  66           HA       GLU  66 -20.949  -2.779 -10.004
  535   1HB   GLU  66          2HB       GLU  66 -22.016  -4.148 -12.406
  536   2HB   GLU  66          1HB       GLU  66 -23.207  -3.752 -11.166
  537   1HG   GLU  66          HG2       GLU  66 -21.961  -1.415 -11.171
  538   2HG   GLU  66          HG1       GLU  66 -21.485  -1.917 -12.794
  539    H    ASP  67           HN       ASP  67 -20.944  -6.278 -10.363
  540    HA   ASP  67           HA       ASP  67 -22.651  -6.469  -7.917
  541   1HB   ASP  67          2HB       ASP  67 -23.216  -7.656 -10.213
  542   2HB   ASP  67          1HB       ASP  67 -22.043  -8.843  -9.640
  543    H    TYR  68           HN       TYR  68 -19.813  -5.867  -7.765
  544    HA   TYR  68           HA       TYR  68 -18.239  -8.200  -7.250
  545   1HB   TYR  68          2HB       TYR  68 -17.531  -5.684  -7.413
  546   2HB   TYR  68          1HB       TYR  68 -17.883  -5.652  -5.685
  547    HD1  TYR  68           HD1      TYR  68 -15.729  -7.094  -8.312
  548    HD2  TYR  68           HD2      TYR  68 -16.532  -6.906  -4.096
  549    HE1  TYR  68           HE1      TYR  68 -13.544  -8.170  -7.847
  550    HE2  TYR  68           HE2      TYR  68 -14.346  -7.980  -3.631
  551    HH   TYR  68           HH       TYR  68 -12.170  -8.267  -4.730
  552    H    GLN  69           HN       GLN  69 -18.635  -9.716  -5.713
  553    HA   GLN  69           HA       GLN  69 -20.212  -8.909  -3.314
  554   1HB   GLN  69          2HB       GLN  69 -19.625 -11.675  -4.413
  555   2HB   GLN  69          1HB       GLN  69 -20.671 -11.310  -3.039
  556   1HG   GLN  69          2HG       GLN  69 -21.574  -9.646  -5.126
  557   2HG   GLN  69          1HG       GLN  69 -21.286 -11.219  -5.871
  558   1HE2  GLN  69          1HE2      GLN  69 -23.832  -9.646  -4.817
  559   2HE2  GLN  69          2HE2      GLN  69 -24.679 -10.853  -3.977
  560    H    ALA  70           HN       ALA  70 -18.860  -8.327  -1.678
  561    HA   ALA  70           HA       ALA  70 -16.654 -10.215  -0.993
  562   1HB   ALA  70          1HB       ALA  70 -16.217  -7.319  -0.454
  563   2HB   ALA  70          2HB       ALA  70 -16.082  -7.843  -2.133
  564   3HB   ALA  70          3HB       ALA  70 -15.053  -8.568  -0.896
  565    H    GLN  71           HN       GLN  71 -18.182 -11.021   0.612
  566    HA   GLN  71           HA       GLN  71 -19.303  -9.262   2.624
  567   1HB   GLN  71          2HB       GLN  71 -18.934 -12.264   2.481
  568   2HB   GLN  71          1HB       GLN  71 -19.705 -11.459   3.849
  569   1HG   GLN  71          2HG       GLN  71 -21.610 -11.039   2.686
  570   2HG   GLN  71          1HG       GLN  71 -20.730 -10.609   1.219
  571   1HE2  GLN  71          1HE2      GLN  71 -19.863 -12.493  -0.094
  572   2HE2  GLN  71          2HE2      GLN  71 -20.704 -13.966  -0.052
  573    H    GLY  72           HN       GLY  72 -18.228  -8.397   4.322
  574   1HA   GLY  72          2HA       GLY  72 -16.820  -8.738   6.312
  575   2HA   GLY  72          1HA       GLY  72 -15.829  -9.842   5.357
  576    H    ALA  73           HN       ALA  73 -15.644  -8.194   2.991
  577    HA   ALA  73           HA       ALA  73 -13.861  -6.062   4.076
  578   1HB   ALA  73          1HB       ALA  73 -13.091  -6.302   1.490
  579   2HB   ALA  73          2HB       ALA  73 -13.684  -7.938   1.781
  580   3HB   ALA  73          3HB       ALA  73 -12.402  -7.271   2.792
  581    H    VAL  74           HN       VAL  74 -14.116  -3.987   3.389
  582    HA   VAL  74           HA       VAL  74 -16.637  -3.090   2.397
  583    HB   VAL  74           HB       VAL  74 -14.004  -1.608   2.186
  584   1HG1  VAL  74          1HG1      VAL  74 -15.448  -0.164   1.159
  585   2HG1  VAL  74          2HG1      VAL  74 -15.909   0.224   2.817
  586   3HG1  VAL  74          3HG1      VAL  74 -16.871  -0.918   1.877
  587   1HG2  VAL  74          1HG2      VAL  74 -14.154  -2.308   4.461
  588   2HG2  VAL  74          2HG2      VAL  74 -15.895  -2.030   4.508
  589   3HG2  VAL  74          3HG2      VAL  74 -14.784  -0.661   4.443
  590    H    VAL  75           HN       VAL  75 -17.232  -2.305   0.283
  591    HA   VAL  75           HA       VAL  75 -15.365  -3.068  -1.920
  592    HB   VAL  75           HB       VAL  75 -18.362  -3.542  -1.891
  593   1HG1  VAL  75          1HG1      VAL  75 -16.246  -3.650  -3.947
  594   2HG1  VAL  75          2HG1      VAL  75 -17.992  -3.486  -4.135
  595   3HG1  VAL  75          3HG1      VAL  75 -17.278  -5.079  -3.883
  596   1HG2  VAL  75          1HG2      VAL  75 -17.773  -5.932  -1.759
  597   2HG2  VAL  75          2HG2      VAL  75 -17.154  -5.066  -0.353
  598   3HG2  VAL  75          3HG2      VAL  75 -16.063  -5.512  -1.666
  599    H    VAL  76           HN       VAL  76 -15.071  -1.384  -3.329
  600    HA   VAL  76           HA       VAL  76 -17.263   0.593  -3.677
  601    HB   VAL  76           HB       VAL  76 -15.581   2.448  -3.480
  602   1HG1  VAL  76          1HG1      VAL  76 -15.443   1.012  -0.874
  603   2HG1  VAL  76          2HG1      VAL  76 -17.051   1.293  -1.542
  604   3HG1  VAL  76          3HG1      VAL  76 -15.977   2.656  -1.226
  605   1HG2  VAL  76          1HG2      VAL  76 -13.553   1.152  -3.885
  606   2HG2  VAL  76          2HG2      VAL  76 -13.856   0.172  -2.452
  607   3HG2  VAL  76          3HG2      VAL  76 -13.456   1.881  -2.282
  608    H    HIS  77           HN       HIS  77 -16.961   1.896  -5.663
  609    HA   HIS  77           HA       HIS  77 -14.977   0.731  -7.567
  610   1HB   HIS  77          2HB       HIS  77 -17.817   1.398  -8.359
  611   2HB   HIS  77          1HB       HIS  77 -16.623   0.473  -9.269
  612    HD1  HIS  77           HD1      HIS  77 -16.246  -1.984  -8.601
  613    HD2  HIS  77           HD2      HIS  77 -19.082  -0.053  -6.240
  614    HE1  HIS  77           HE1      HIS  77 -17.388  -3.786  -7.238
  615    H    ASP  78           HN       ASP  78 -15.056   3.310  -6.062
  616    HA   ASP  78           HA       ASP  78 -14.420   5.042  -8.297
  617   1HB   ASP  78          2HB       ASP  78 -17.080   4.997  -7.824
  618   2HB   ASP  78          1HB       ASP  78 -16.597   6.246  -6.676
  619    H    VAL  79           HN       VAL  79 -12.614   5.945  -7.469
  620    HA   VAL  79           HA       VAL  79 -11.720   6.114  -4.875
  621    HB   VAL  79           HB       VAL  79 -11.383   8.162  -7.083
  622   1HG1  VAL  79          1HG1      VAL  79  -9.203   8.568  -5.630
  623   2HG1  VAL  79          2HG1      VAL  79 -10.235   7.994  -4.320
  624   3HG1  VAL  79          3HG1      VAL  79 -10.701   9.416  -5.251
  625   1HG2  VAL  79          1HG2      VAL  79  -9.184   6.380  -6.202
  626   2HG2  VAL  79          2HG2      VAL  79  -9.661   6.859  -7.830
  627   3HG2  VAL  79          3HG2      VAL  79 -10.537   5.576  -6.996
  628    H    ALA  80           HN       ALA  80 -14.052   8.315  -6.388
  629    HA   ALA  80           HA       ALA  80 -14.122  10.327  -4.388
  630   1HB   ALA  80          1HB       ALA  80 -15.419  10.952  -6.182
  631   2HB   ALA  80          2HB       ALA  80 -16.699  10.301  -5.157
  632   3HB   ALA  80          3HB       ALA  80 -16.019   9.315  -6.452
  633    H    ALA  81           HN       ALA  81 -15.757   7.193  -4.564
  634    HA   ALA  81           HA       ALA  81 -17.382   7.543  -2.218
  635   1HB   ALA  81          1HB       ALA  81 -17.849   5.219  -2.393
  636   2HB   ALA  81          2HB       ALA  81 -16.319   4.893  -3.208
  637   3HB   ALA  81          3HB       ALA  81 -17.604   5.755  -4.055
  638    H    VAL  82           HN       VAL  82 -14.187   5.995  -2.714
  639    HA   VAL  82           HA       VAL  82 -13.789   5.154  -0.030
  640    HB   VAL  82           HB       VAL  82 -11.512   6.210  -1.698
  641   1HG1  VAL  82          1HG1      VAL  82 -10.288   5.032  -0.221
  642   2HG1  VAL  82          2HG1      VAL  82 -11.224   3.574  -0.543
  643   3HG1  VAL  82          3HG1      VAL  82 -11.766   4.716   0.686
  644   1HG2  VAL  82          1HG2      VAL  82 -11.573   3.768  -2.662
  645   2HG2  VAL  82          2HG2      VAL  82 -12.596   5.007  -3.389
  646   3HG2  VAL  82          3HG2      VAL  82 -13.287   3.846  -2.256
  647    H    PHE  83           HN       PHE  83 -12.945   8.235  -1.614
  648    HA   PHE  83           HA       PHE  83 -11.699   9.465   0.630
  649   1HB   PHE  83          2HB       PHE  83 -13.034  10.431  -1.864
  650   2HB   PHE  83          1HB       PHE  83 -12.751  11.606  -0.581
  651    HD1  PHE  83           HD1      PHE  83 -11.326  10.013  -3.399
  652    HD2  PHE  83           HD2      PHE  83 -10.328  11.536   0.490
  653    HE1  PHE  83           HE1      PHE  83  -8.949  10.197  -4.080
  654    HE2  PHE  83           HE2      PHE  83  -7.951  11.717  -0.191
  655    HZ   PHE  83           HZ       PHE  83  -7.262  11.049  -2.476
  656    H    ALA  84           HN       ALA  84 -15.068   8.923  -0.150
  657    HA   ALA  84           HA       ALA  84 -16.090  10.837   1.794
  658   1HB   ALA  84          1HB       ALA  84 -17.741   8.538   0.830
  659   2HB   ALA  84          2HB       ALA  84 -17.228   9.746  -0.348
  660   3HB   ALA  84          3HB       ALA  84 -18.192  10.229   1.047
  661    H    TYR  85           HN       TYR  85 -14.957   7.537   1.950
  662    HA   TYR  85           HA       TYR  85 -16.465   6.864   4.352
  663   1HB   TYR  85          2HB       TYR  85 -15.306   5.298   2.556
  664   2HB   TYR  85          1HB       TYR  85 -13.902   5.495   3.605
  665    HD1  TYR  85           HD1      TYR  85 -17.594   5.122   4.204
  666    HD2  TYR  85           HD2      TYR  85 -13.635   3.681   5.041
  667    HE1  TYR  85           HE1      TYR  85 -18.533   3.455   5.781
  668    HE2  TYR  85           HE2      TYR  85 -14.574   2.015   6.618
  669    HH   TYR  85           HH       TYR  85 -16.643   0.883   7.077
  670    H    ALA  86           HN       ALA  86 -13.019   7.600   3.706
  671    HA   ALA  86           HA       ALA  86 -12.137   7.660   6.386
  672   1HB   ALA  86          1HB       ALA  86 -10.677   9.677   5.193
  673   2HB   ALA  86          2HB       ALA  86 -11.203   8.720   3.808
  674   3HB   ALA  86          3HB       ALA  86 -10.286   7.960   5.109
  675    H    LYS  87           HN       LYS  87 -13.643  10.220   4.434
  676    HA   LYS  87           HA       LYS  87 -13.427  12.293   6.404
  677   1HB   LYS  87          2HB       LYS  87 -14.580  11.973   3.810
  678   2HB   LYS  87          1HB       LYS  87 -15.833  12.612   4.874
  679   1HG   LYS  87          2HG       LYS  87 -14.856  14.617   4.387
  680   2HG   LYS  87          1HG       LYS  87 -13.717  14.136   5.645
  681   1HD   LYS  87          2HD       LYS  87 -12.116  13.387   4.073
  682   2HD   LYS  87          1HD       LYS  87 -13.300  13.332   2.767
  683   1HE   LYS  87          2HE       LYS  87 -13.534  15.887   3.156
  684   2HE   LYS  87          1HE       LYS  87 -12.008  15.745   4.029
  685   1HZ   LYS  87          1HE       LYS  87 -12.561  15.186   1.183
  686   2HZ   LYS  87          2HE       LYS  87 -11.204  14.523   1.960
  687   3HZ   LYS  87          3HE       LYS  87 -11.385  16.209   1.853
  688    H    GLN  88           HN       GLN  88 -15.659   9.620   5.969
  689    HA   GLN  88           HA       GLN  88 -17.572  10.686   7.922
  690   1HB   GLN  88          2HB       GLN  88 -17.715   8.838   5.849
  691   2HB   GLN  88          1HB       GLN  88 -17.819   7.841   7.300
  692   1HG   GLN  88          2HG       GLN  88 -20.062   8.450   6.868
  693   2HG   GLN  88          1HG       GLN  88 -19.552   9.573   8.129
  694   1HE2  GLN  88          1HE2      GLN  88 -19.433   9.410   4.515
  695   2HE2  GLN  88          2HE2      GLN  88 -19.860  11.037   4.288
  696    H    HIS  89           HN       HIS  89 -14.846   8.423   7.948
  697    HA   HIS  89           HA       HIS  89 -15.576   7.451  10.631
  698   1HB   HIS  89          2HB       HIS  89 -13.606   6.728   8.534
  699   2HB   HIS  89          1HB       HIS  89 -13.105   6.436  10.199
  700    HD1  HIS  89           HD1      HIS  89 -14.436   4.679  11.566
  701    HD2  HIS  89           HD2      HIS  89 -15.795   5.127   7.651
  702    HE1  HIS  89           HE1      HIS  89 -16.008   2.742  11.128
  703    HA   PRO  90           HA       PRO  90 -13.031  10.731  12.454
  704   1HB   PRO  90          2HB       PRO  90 -14.146  10.404  14.964
  705   2HB   PRO  90          1HB       PRO  90 -14.809  11.444  13.695
  706   1HG   PRO  90          2HG       PRO  90 -15.901   8.999  14.769
  707   2HG   PRO  90          1HG       PRO  90 -16.623  10.117  13.603
  708   1HD   PRO  90          2HD       PRO  90 -15.319   7.549  13.115
  709   2HD   PRO  90          1HD       PRO  90 -16.301   8.533  12.016
  710    H    ASP  91           HN       ASP  91 -12.901   7.433  12.780
  711    HA   ASP  91           HA       ASP  91 -10.545   7.624  14.596
  712   1HB   ASP  91          2HB       ASP  91 -12.974   5.897  14.939
  713   2HB   ASP  91          1HB       ASP  91 -11.404   5.278  15.452
  714    H    GLN  92           HN       GLN  92 -11.443   6.986  11.613
  715    HA   GLN  92           HA       GLN  92  -9.345   4.933  11.220
  716   1HB   GLN  92          2HB       GLN  92 -11.719   3.886  11.376
  717   2HB   GLN  92          1HB       GLN  92 -12.012   4.669   9.824
  718   1HG   GLN  92          2HG       GLN  92 -10.071   3.506   8.860
  719   2HG   GLN  92          1HG       GLN  92  -9.757   2.736  10.410
  720   1HE2  GLN  92          1HE2      GLN  92 -11.528   1.269  11.260
  721   2HE2  GLN  92          2HE2      GLN  92 -12.525   0.468  10.143
  722    H    GLU  93           HN       GLU  93  -7.976   6.115   9.829
  723    HA   GLU  93           HA       GLU  93  -9.171   8.086   8.029
  724   1HB   GLU  93          2HB       GLU  93  -6.422   7.329   8.926
  725   2HB   GLU  93          1HB       GLU  93  -6.581   8.175   7.389
  726   1HG   GLU  93          HG2       GLU  93  -8.095   9.828   8.681
  727   2HG   GLU  93          HG1       GLU  93  -7.401   9.110  10.135
  728    H    LEU  94           HN       LEU  94  -7.421   7.900   5.875
  729    HA   LEU  94           HA       LEU  94  -8.383   5.396   4.564
  730   1HB   LEU  94          2HB       LEU  94  -8.879   7.898   3.746
  731   2HB   LEU  94          1HB       LEU  94  -7.317   7.675   2.967
  732    HG   LEU  94           HG       LEU  94  -8.294   5.410   2.148
  733   1HD1  LEU  94          1HD1      LEU  94 -10.612   6.733   3.421
  734   2HD1  LEU  94          2HD1      LEU  94 -10.344   5.026   3.070
  735   3HD1  LEU  94          3HD1      LEU  94 -10.920   6.107   1.801
  736   1HD2  LEU  94          1HD2      LEU  94  -9.648   6.812   0.346
  737   2HD2  LEU  94          2HD2      LEU  94  -7.892   6.946   0.449
  738   3HD2  LEU  94          3HD2      LEU  94  -8.916   8.180   1.183
  739    H    VAL  95           HN       VAL  95  -6.820   3.884   4.279
  740    HA   VAL  95           HA       VAL  95  -4.011   4.841   3.882
  741    HB   VAL  95           HB       VAL  95  -4.936   2.258   5.188
  742   1HG1  VAL  95          1HG1      VAL  95  -2.909   1.559   4.409
  743   2HG1  VAL  95          2HG1      VAL  95  -2.279   2.522   5.746
  744   3HG1  VAL  95          3HG1      VAL  95  -2.343   3.204   4.121
  745   1HG2  VAL  95          1HG2      VAL  95  -3.814   3.272   7.197
  746   2HG2  VAL  95          2HG2      VAL  95  -5.249   4.155   6.675
  747   3HG2  VAL  95          3HG2      VAL  95  -3.643   4.772   6.285
  748    H    ILE  96           HN       ILE  96  -3.195   4.329   1.925
  749    HA   ILE  96           HA       ILE  96  -4.755   2.583   0.144
  750    HB   ILE  96           HB       ILE  96  -2.176   4.047  -0.464
  751   1HG1  ILE  96          2HG1      ILE  96  -3.893   5.604   0.441
  752   2HG1  ILE  96          1HG1      ILE  96  -3.586   5.892  -1.270
  753   1HG2  ILE  96          1HG2      ILE  96  -2.543   2.671  -2.286
  754   2HG2  ILE  96          2HG2      ILE  96  -3.535   4.050  -2.758
  755   3HG2  ILE  96          3HG2      ILE  96  -4.288   2.628  -2.036
  756   1HD1  ILE  96          1HD1      ILE  96  -6.033   5.858  -0.630
  757   2HD1  ILE  96          2HD1      ILE  96  -5.842   4.145  -0.258
  758   3HD1  ILE  96          3HD1      ILE  96  -5.591   4.722  -1.905
  759    H    ALA  97           HN       ALA  97  -3.858   0.766  -0.944
  760    HA   ALA  97           HA       ALA  97  -1.375  -0.357   0.269
  761   1HB   ALA  97          1HB       ALA  97  -2.921  -2.567  -0.408
  762   2HB   ALA  97          2HB       ALA  97  -4.085  -1.451   0.307
  763   3HB   ALA  97          3HB       ALA  97  -2.664  -1.950   1.223
  764    H    GLY  98           HN       GLY  98  -2.865   0.724  -2.473
  765   1HA   GLY  98          2HA       GLY  98  -1.783   0.717  -4.612
  766   2HA   GLY  98          1HA       GLY  98  -0.956  -0.772  -4.167
  767    H    GLY  99           HN       GLY  99  -3.253  -2.177  -6.517
  768   1HA   GLY  99          2HA       GLY  99  -0.513  -1.724  -5.739
  769   2HA   GLY  99          1HA       GLY  99  -1.068  -2.240  -7.325
  770    H    ALA 100           HN       ALA 100   0.096  -0.849  -8.611
  771    HA   ALA 100           HA       ALA 100   0.572   1.921  -8.053
  772   1HB   ALA 100          1HB       ALA 100   0.783   0.159 -10.461
  773   2HB   ALA 100          2HB       ALA 100   2.024   1.136  -9.676
  774   3HB   ALA 100          3HB       ALA 100   0.817   1.905 -10.707
  775    H    GLN 101           HN       GLN 101  -2.051   0.223  -9.648
  776    HA   GLN 101           HA       GLN 101  -3.292   2.408 -10.948
  777   1HB   GLN 101          2HB       GLN 101  -4.026  -0.291 -10.166
  778   2HB   GLN 101          1HB       GLN 101  -5.383   0.812  -9.946
  779   1HG   GLN 101          2HG       GLN 101  -5.749   0.771 -12.165
  780   2HG   GLN 101          1HG       GLN 101  -4.162   1.493 -12.424
  781   1HE2  GLN 101          1HE2      GLN 101  -2.423   0.098 -13.092
  782   2HE2  GLN 101          2HE2      GLN 101  -2.665  -1.534 -13.489
  783    H    ILE 102           HN       ILE 102  -3.698   1.239  -7.562
  784    HA   ILE 102           HA       ILE 102  -5.592   3.344  -6.951
  785    HB   ILE 102           HB       ILE 102  -3.949   1.689  -5.018
  786   1HG1  ILE 102          2HG1      ILE 102  -5.118   0.233  -6.648
  787   2HG1  ILE 102          1HG1      ILE 102  -5.835   0.099  -5.044
  788   1HG2  ILE 102          1HG2      ILE 102  -5.094   3.534  -3.949
  789   2HG2  ILE 102          2HG2      ILE 102  -5.983   2.056  -3.582
  790   3HG2  ILE 102          3HG2      ILE 102  -6.588   3.165  -4.812
  791   1HD1  ILE 102          1HD1      ILE 102  -6.899   1.924  -7.217
  792   2HD1  ILE 102          2HD1      ILE 102  -7.657   1.570  -5.665
  793   3HD1  ILE 102          3HD1      ILE 102  -7.529   0.310  -6.893
  794    H    PHE 103           HN       PHE 103  -2.066   3.069  -6.838
  795    HA   PHE 103           HA       PHE 103  -1.719   5.325  -5.057
  796   1HB   PHE 103          2HB       PHE 103   0.144   3.962  -7.025
  797   2HB   PHE 103          1HB       PHE 103   0.643   5.267  -5.952
  798    HD1  PHE 103           HD1      PHE 103   1.245   2.053  -6.205
  799    HD2  PHE 103           HD2      PHE 103  -0.856   4.619  -3.473
  800    HE1  PHE 103           HE1      PHE 103   1.611   0.413  -4.381
  801    HE2  PHE 103           HE2      PHE 103  -0.492   2.977  -1.651
  802    HZ   PHE 103           HZ       PHE 103   0.742   0.875  -2.104
  803    H    THR 104           HN       THR 104  -2.461   4.958  -8.414
  804    HA   THR 104           HA       THR 104  -1.408   7.560  -9.228
  805    HB   THR 104           HB       THR 104  -3.499   6.049 -10.767
  806    HG1  THR 104           HG1      THR 104  -0.743   5.420 -10.790
  807   1HG2  THR 104          1HG2      THR 104  -2.459   8.284 -11.467
  808   2HG2  THR 104          2HG2      THR 104  -2.396   6.983 -12.656
  809   3HG2  THR 104          3HG2      THR 104  -0.961   7.386 -11.713
  810    H    ALA 105           HN       ALA 105  -4.719   6.223  -8.853
  811    HA   ALA 105           HA       ALA 105  -6.009   8.760  -9.237
  812   1HB   ALA 105          1HB       ALA 105  -7.142   6.498  -7.589
  813   2HB   ALA 105          2HB       ALA 105  -7.052   6.418  -9.350
  814   3HB   ALA 105          3HB       ALA 105  -8.012   7.676  -8.572
  815    H    PHE 106           HN       PHE 106  -4.488   7.334  -6.436
  816    HA   PHE 106           HA       PHE 106  -5.770   9.352  -4.662
  817   1HB   PHE 106          2HB       PHE 106  -4.241   6.808  -4.176
  818   2HB   PHE 106          1HB       PHE 106  -4.502   7.972  -2.878
  819    HD1  PHE 106           HD1      PHE 106  -6.753   8.452  -2.045
  820    HD2  PHE 106           HD2      PHE 106  -6.101   5.561  -5.147
  821    HE1  PHE 106           HE1      PHE 106  -9.035   7.556  -1.689
  822    HE2  PHE 106           HE2      PHE 106  -8.383   4.664  -4.795
  823    HZ   PHE 106           HZ       PHE 106  -9.850   5.661  -3.064
  824    H    LYS 107           HN       LYS 107  -2.743   8.796  -6.248
  825    HA   LYS 107           HA       LYS 107  -0.968   9.979  -4.376
  826   1HB   LYS 107          2HB       LYS 107   0.387  10.660  -6.438
  827   2HB   LYS 107          1HB       LYS 107   0.050   8.942  -6.240
  828   1HG   LYS 107          2HG       LYS 107  -1.590   8.945  -7.907
  829   2HG   LYS 107          1HG       LYS 107  -1.806  10.692  -7.835
  830   1HD   LYS 107          2HD       LYS 107   0.883  10.407  -8.476
  831   2HD   LYS 107          1HD       LYS 107   0.108   9.119  -9.399
  832   1HE   LYS 107          2HE       LYS 107  -0.073  10.922 -10.870
  833   2HE   LYS 107          1HE       LYS 107  -1.622  10.993 -10.030
  834   1HZ   LYS 107          1HE       LYS 107  -1.038  12.847  -8.903
  835   2HZ   LYS 107          2HE       LYS 107  -0.035  13.082 -10.254
  836   3HZ   LYS 107          3HE       LYS 107   0.606  12.434  -8.820
  837    H    ASP 108           HN       ASP 108  -3.233  11.578  -6.623
  838    HA   ASP 108           HA       ASP 108  -2.099  14.190  -6.411
  839   1HB   ASP 108          2HB       ASP 108  -3.984  13.286  -7.971
  840   2HB   ASP 108          1HB       ASP 108  -5.061  13.700  -6.637
  841    H    ASP 109           HN       ASP 109  -4.440  12.448  -4.390
  842    HA   ASP 109           HA       ASP 109  -4.312  14.721  -2.443
  843   1HB   ASP 109          2HB       ASP 109  -6.497  12.811  -3.200
  844   2HB   ASP 109          1HB       ASP 109  -6.455  13.446  -1.555
  845    H    VAL 110           HN       VAL 110  -2.314  13.797  -1.525
  846    HA   VAL 110           HA       VAL 110  -2.774  11.246  -0.036
  847    HB   VAL 110           HB       VAL 110  -0.086  12.542  -0.484
  848   1HG1  VAL 110          1HG1      VAL 110  -1.153   9.902   0.429
  849   2HG1  VAL 110          2HG1      VAL 110   0.198  10.844   1.058
  850   3HG1  VAL 110          3HG1      VAL 110   0.385   9.923  -0.434
  851   1HG2  VAL 110          1HG2      VAL 110  -1.808  11.103  -2.423
  852   2HG2  VAL 110          2HG2      VAL 110  -0.144  10.528  -2.318
  853   3HG2  VAL 110          3HG2      VAL 110  -0.468  12.215  -2.709
  854    H    ASP 111           HN       ASP 111  -1.950  11.170   2.172
  855    HA   ASP 111           HA       ASP 111  -1.693  13.867   3.437
  856   1HB   ASP 111          2HB       ASP 111  -3.816  12.133   3.789
  857   2HB   ASP 111          1HB       ASP 111  -2.772  11.736   5.153
  858    H    THR 112           HN       THR 112  -0.824  10.437   3.511
  859    HA   THR 112           HA       THR 112   1.724  11.158   4.825
  860    HB   THR 112           HB       THR 112  -0.089   9.020   5.976
  861    HG1  THR 112           HG1      THR 112  -0.952  10.944   6.558
  862   1HG2  THR 112          1HG2      THR 112   2.400  10.230   7.183
  863   2HG2  THR 112          2HG2      THR 112   2.467   8.812   6.136
  864   3HG2  THR 112          3HG2      THR 112   1.568   8.747   7.652
  865    H    LEU 113           HN       LEU 113   3.361   9.960   3.945
  866    HA   LEU 113           HA       LEU 113   2.573   7.625   2.260
  867   1HB   LEU 113          2HB       LEU 113   5.118   9.275   2.214
  868   2HB   LEU 113          1HB       LEU 113   4.729   7.958   1.111
  869    HG   LEU 113           HG       LEU 113   2.830  10.270   1.414
  870   1HD1  LEU 113          1HD1      LEU 113   4.853  11.425   0.903
  871   2HD1  LEU 113          2HD1      LEU 113   4.033  11.217  -0.644
  872   3HD1  LEU 113          3HD1      LEU 113   5.380  10.163  -0.210
  873   1HD2  LEU 113          1HD2      LEU 113   2.730   9.546  -1.158
  874   2HD2  LEU 113          2HD2      LEU 113   1.832   8.667   0.080
  875   3HD2  LEU 113          3HD2      LEU 113   3.374   8.040  -0.502
  876    H    LEU 114           HN       LEU 114   3.273   5.611   2.810
  877    HA   LEU 114           HA       LEU 114   5.377   5.381   4.924
  878   1HB   LEU 114          2HB       LEU 114   2.974   3.564   4.544
  879   2HB   LEU 114          1HB       LEU 114   4.177   3.456   5.830
  880    HG   LEU 114           HG       LEU 114   2.665   6.021   5.444
  881   1HD1  LEU 114          1HD1      LEU 114   1.622   3.845   7.244
  882   2HD1  LEU 114          2HD1      LEU 114   1.114   3.923   5.556
  883   3HD1  LEU 114          3HD1      LEU 114   0.787   5.276   6.639
  884   1HD2  LEU 114          1HD2      LEU 114   3.691   4.579   7.909
  885   2HD2  LEU 114          2HD2      LEU 114   3.088   6.235   7.833
  886   3HD2  LEU 114          3HD2      LEU 114   4.598   5.809   7.029
  887    H    VAL 115           HN       VAL 115   7.047   4.902   3.532
  888    HA   VAL 115           HA       VAL 115   6.624   2.522   1.745
  889    HB   VAL 115           HB       VAL 115   6.926   4.605   0.479
  890   1HG1  VAL 115          1HG1      VAL 115   9.578   5.286   0.718
  891   2HG1  VAL 115          2HG1      VAL 115   9.145   4.921   2.386
  892   3HG1  VAL 115          3HG1      VAL 115   8.247   6.145   1.492
  893   1HG2  VAL 115          1HG2      VAL 115   7.748   2.575  -0.555
  894   2HG2  VAL 115          2HG2      VAL 115   9.247   2.657   0.372
  895   3HG2  VAL 115          3HG2      VAL 115   8.914   3.860  -0.874
  896    H    THR 116           HN       THR 116   8.214   0.961   1.600
  897    HA   THR 116           HA       THR 116  10.298   1.058   3.740
  898    HB   THR 116           HB       THR 116   9.413  -1.411   2.239
  899    HG1  THR 116           HG1      THR 116   7.878  -1.731   3.775
  900   1HG2  THR 116          1HG2      THR 116  10.420  -1.204   5.066
  901   2HG2  THR 116          2HG2      THR 116  11.548  -1.219   3.709
  902   3HG2  THR 116          3HG2      THR 116  10.467  -2.589   3.976
  903    H    ARG 117           HN       ARG 117  12.379   1.336   3.033
  904    HA   ARG 117           HA       ARG 117  12.928   0.965   0.135
  905   1HB   ARG 117          2HB       ARG 117  14.465   2.335   2.357
  906   2HB   ARG 117          1HB       ARG 117  15.092   2.145   0.719
  907   1HG   ARG 117          2HG       ARG 117  12.350   3.231   0.859
  908   2HG   ARG 117          1HG       ARG 117  13.587   4.277   1.554
  909   1HD   ARG 117          2HD       ARG 117  14.618   3.211  -0.889
  910   2HD   ARG 117          1HD       ARG 117  13.001   3.838  -1.209
  911    HE   ARG 117           HE       ARG 117  14.205   5.840   0.282
  912   1HH1  ARG 117          1HH2      ARG 117  14.974   4.085  -2.614
  913   2HH1  ARG 117          2HH2      ARG 117  15.857   5.399  -3.314
  914   1HH2  ARG 117          1HH1      ARG 117  15.352   7.540  -0.640
  915   2HH2  ARG 117          2HH1      ARG 117  16.070   7.344  -2.204
  916    H    LEU 118           HN       LEU 118  13.644  -1.054  -0.400
  917    HA   LEU 118           HA       LEU 118  15.045  -2.722   1.573
  918   1HB   LEU 118          2HB       LEU 118  14.267  -3.167  -1.320
  919   2HB   LEU 118          1HB       LEU 118  15.180  -4.345  -0.386
  920    HG   LEU 118           HG       LEU 118  13.257  -4.109   1.355
  921   1HD1  LEU 118          1HD1      LEU 118  11.069  -3.590   0.219
  922   2HD1  LEU 118          2HD1      LEU 118  11.989  -2.998  -1.164
  923   3HD1  LEU 118          3HD1      LEU 118  12.127  -2.191   0.398
  924   1HD2  LEU 118          1HD2      LEU 118  11.839  -5.557  -0.542
  925   2HD2  LEU 118          2HD2      LEU 118  13.102  -6.208   0.502
  926   3HD2  LEU 118          3HD2      LEU 118  13.500  -5.662  -1.126
  927    H    ALA 119           HN       ALA 119  17.240  -3.439   1.328
  928    HA   ALA 119           HA       ALA 119  18.982  -1.448   0.075
  929   1HB   ALA 119          1HB       ALA 119  19.816  -4.060   1.355
  930   2HB   ALA 119          2HB       ALA 119  19.445  -2.612   2.292
  931   3HB   ALA 119          3HB       ALA 119  20.787  -2.602   1.147
  932    H    GLY 120           HN       GLY 120  17.811  -4.666  -0.680
  933   1HA   GLY 120          2HA       GLY 120  19.821  -5.140  -2.754
  934   2HA   GLY 120          1HA       GLY 120  18.396  -6.134  -2.446
  935    H    SER 121           HN       SER 121  18.897  -5.674  -5.055
  936    HA   SER 121           HA       SER 121  16.869  -3.602  -5.789
  937   1HB   SER 121          2HB       SER 121  18.146  -3.110  -7.800
  938   2HB   SER 121          1HB       SER 121  19.206  -2.933  -6.404
  939    HG   SER 121           HG       SER 121  20.397  -4.245  -7.577
  940    H    PHE 122           HN       PHE 122  15.121  -4.584  -6.667
  941    HA   PHE 122           HA       PHE 122  15.510  -7.212  -8.029
  942   1HB   PHE 122          2HB       PHE 122  12.986  -6.023  -6.838
  943   2HB   PHE 122          1HB       PHE 122  13.143  -7.634  -7.538
  944    HD1  PHE 122           HD1      PHE 122  14.244  -9.427  -6.346
  945    HD2  PHE 122           HD2      PHE 122  14.147  -5.450  -4.728
  946    HE1  PHE 122           HE1      PHE 122  15.039 -10.296  -4.163
  947    HE2  PHE 122           HE2      PHE 122  14.940  -6.317  -2.544
  948    HZ   PHE 122           HZ       PHE 122  15.385  -8.740  -2.261
  949    H    GLU 123           HN       GLU 123  14.032  -7.583  -9.918
  950    HA   GLU 123           HA       GLU 123  13.476  -5.021 -11.359
  951   1HB   GLU 123          2HB       GLU 123  14.026  -6.294 -13.471
  952   2HB   GLU 123          1HB       GLU 123  15.403  -6.017 -12.405
  953   1HG   GLU 123          HG2       GLU 123  14.992  -8.309 -11.423
  954   2HG   GLU 123          HG1       GLU 123  13.801  -8.570 -12.699
  955    H    GLY 124           HN       GLY 124  11.793  -5.250 -13.062
  956   1HA   GLY 124          2HA       GLY 124  10.051  -7.488 -13.286
  957   2HA   GLY 124          1HA       GLY 124   9.390  -6.393 -12.066
  958    H    ASP 125           HN       ASP 125   7.582  -5.697 -13.428
  959    HA   ASP 125           HA       ASP 125   8.456  -3.873 -15.607
  960   1HB   ASP 125          2HB       ASP 125   6.935  -6.293 -15.892
  961   2HB   ASP 125          1HB       ASP 125   5.881  -4.924 -16.249
  962    H    THR 126           HN       THR 126   6.634  -4.421 -12.781
  963    HA   THR 126           HA       THR 126   5.023  -1.950 -13.273
  964    HB   THR 126           HB       THR 126   4.384  -3.949 -11.118
  965    HG1  THR 126           HG1      THR 126   4.438  -5.170 -12.974
  966   1HG2  THR 126          1HG2      THR 126   2.049  -2.997 -12.169
  967   2HG2  THR 126          2HG2      THR 126   3.125  -1.622 -12.420
  968   3HG2  THR 126          3HG2      THR 126   2.887  -2.272 -10.798
  969    H    LYS 127           HN       LYS 127   5.697  -0.229 -12.130
  970    HA   LYS 127           HA       LYS 127   7.090  -0.705  -9.525
  971   1HB   LYS 127          2HB       LYS 127   7.765   1.392 -11.613
  972   2HB   LYS 127          1HB       LYS 127   8.545   1.226 -10.040
  973   1HG   LYS 127          2HG       LYS 127   9.338  -1.012 -10.632
  974   2HG   LYS 127          1HG       LYS 127   8.497  -0.922 -12.180
  975   1HD   LYS 127          2HD       LYS 127   9.995   0.616 -13.063
  976   2HD   LYS 127          1HD       LYS 127  10.443   1.245 -11.477
  977   1HE   LYS 127          2HE       LYS 127  12.289  -0.049 -11.637
  978   2HE   LYS 127          1HE       LYS 127  11.219  -1.422 -11.355
  979   1HZ   LYS 127          1HE       LYS 127  10.813  -1.196 -13.900
  980   2HZ   LYS 127          2HE       LYS 127  12.190  -2.006 -13.324
  981   3HZ   LYS 127          3HE       LYS 127  12.313  -0.406 -13.882
  982    H    MET 128           HN       MET 128   6.980   1.246  -8.082
  983    HA   MET 128           HA       MET 128   4.294   2.148  -7.774
  984   1HB   MET 128          2HB       MET 128   6.437   2.123  -6.147
  985   2HB   MET 128          1HB       MET 128   6.490   3.814  -6.645
  986   1HG   MET 128          2HG       MET 128   3.804   2.797  -5.926
  987   2HG   MET 128          1HG       MET 128   4.952   2.893  -4.592
  988   1HE   MET 128          1HE       MET 128   2.255   5.752  -4.889
  989   2HE   MET 128          2HE       MET 128   3.197   5.288  -3.475
  990   3HE   MET 128          3HE       MET 128   2.527   4.043  -4.525
  991    H    ILE 129           HN       ILE 129   3.447   4.314  -8.035
  992    HA   ILE 129           HA       ILE 129   4.285   5.553 -10.531
  993    HB   ILE 129           HB       ILE 129   2.464   7.200  -9.985
  994   1HG1  ILE 129          2HG1      ILE 129   1.250   5.733  -7.841
  995   2HG1  ILE 129          1HG1      ILE 129   2.899   6.135  -7.362
  996   1HG2  ILE 129          1HG2      ILE 129   0.793   5.005  -9.592
  997   2HG2  ILE 129          2HG2      ILE 129   2.221   4.310 -10.357
  998   3HG2  ILE 129          3HG2      ILE 129   1.346   5.620 -11.150
  999   1HD1  ILE 129          1HD1      ILE 129   2.146   8.493  -8.472
 1000   2HD1  ILE 129          2HD1      ILE 129   1.945   8.123  -6.759
 1001   3HD1  ILE 129          3HD1      ILE 129   0.590   7.924  -7.869
 1002    HA   PRO 130           HA       PRO 130   7.203   8.584  -9.255
 1003   1HB   PRO 130          2HB       PRO 130   5.923  10.768 -10.618
 1004   2HB   PRO 130          1HB       PRO 130   7.345   9.846 -11.121
 1005   1HG   PRO 130          2HG       PRO 130   4.664   9.721 -12.156
 1006   2HG   PRO 130          1HG       PRO 130   6.117   8.899 -12.740
 1007   1HD   PRO 130          2HD       PRO 130   3.920   7.705 -11.443
 1008   2HD   PRO 130          1HD       PRO 130   5.480   6.948 -11.797
 1009    H    LEU 131           HN       LEU 131   6.809   8.925  -7.046
 1010    HA   LEU 131           HA       LEU 131   4.526  10.615  -6.233
 1011   1HB   LEU 131          2HB       LEU 131   6.457   8.815  -4.875
 1012   2HB   LEU 131          1HB       LEU 131   5.919  10.209  -3.938
 1013    HG   LEU 131           HG       LEU 131   4.058   8.271  -5.342
 1014   1HD1  LEU 131          1HD1      LEU 131   4.319   6.907  -3.572
 1015   2HD1  LEU 131          2HD1      LEU 131   3.787   8.205  -2.505
 1016   3HD1  LEU 131          3HD1      LEU 131   5.501   8.010  -2.871
 1017   1HD2  LEU 131          1HD2      LEU 131   2.935  10.344  -5.112
 1018   2HD2  LEU 131          2HD2      LEU 131   3.680  10.672  -3.548
 1019   3HD2  LEU 131          3HD2      LEU 131   2.435   9.431  -3.689
 1020    H    ASN 132           HN       ASN 132   4.860  12.610  -5.022
 1021    HA   ASN 132           HA       ASN 132   7.305  14.026  -5.924
 1022   1HB   ASN 132          2HB       ASN 132   4.616  14.766  -5.798
 1023   2HB   ASN 132          1HB       ASN 132   5.359  15.636  -4.457
 1024   1HD2  ASN 132          1HD2      ASN 132   6.127  17.650  -5.090
 1025   2HD2  ASN 132          2HD2      ASN 132   6.752  18.021  -6.624
 1026    H    TRP 133           HN       TRP 133   8.456  12.651  -4.219
 1027    HA   TRP 133           HA       TRP 133   8.113  12.892  -1.443
 1028   1HB   TRP 133          2HB       TRP 133  10.791  12.894  -2.867
 1029   2HB   TRP 133          1HB       TRP 133  10.477  12.368  -1.214
 1030    HD1  TRP 133           HD1      TRP 133  10.099  11.294  -4.834
 1031    HE1  TRP 133           HE1      TRP 133   9.409   8.813  -4.912
 1032    HE3  TRP 133           HE3      TRP 133   9.211  10.468   0.128
 1033    HZ2  TRP 133           HZ2      TRP 133   8.593   6.750  -3.111
 1034    HZ3  TRP 133           HZ3      TRP 133   8.482   8.235   0.917
 1035    HH2  TRP 133           HH2      TRP 133   8.172   6.376  -0.695
 1036    H    ASP 134           HN       ASP 134   9.325  15.249  -3.723
 1037    HA   ASP 134           HA       ASP 134  10.642  16.998  -1.885
 1038   1HB   ASP 134          2HB       ASP 134   9.795  17.053  -4.662
 1039   2HB   ASP 134          1HB       ASP 134   9.511  18.612  -3.889
 1040    H    ASP 135           HN       ASP 135   7.241  16.507  -2.625
 1041    HA   ASP 135           HA       ASP 135   6.465  18.974  -1.202
 1042   1HB   ASP 135          2HB       ASP 135   5.317  17.664  -3.282
 1043   2HB   ASP 135          1HB       ASP 135   4.406  16.969  -1.942
 1044    H    PHE 136           HN       PHE 136   7.273  15.825  -0.343
 1045    HA   PHE 136           HA       PHE 136   5.580  16.000   2.120
 1046   1HB   PHE 136          2HB       PHE 136   6.706  13.552   0.729
 1047   2HB   PHE 136          1HB       PHE 136   5.863  13.523   2.276
 1048    HD1  PHE 136           HD1      PHE 136   5.402  14.860  -1.202
 1049    HD2  PHE 136           HD2      PHE 136   3.571  13.119   2.270
 1050    HE1  PHE 136           HE1      PHE 136   3.231  14.766  -2.395
 1051    HE2  PHE 136           HE2      PHE 136   1.399  13.027   1.079
 1052    HZ   PHE 136           HZ       PHE 136   1.229  13.849  -1.255
 1053    H    THR 137           HN       THR 137   6.626  15.056   4.067
 1054    HA   THR 137           HA       THR 137   9.608  15.222   3.994
 1055    HB   THR 137           HB       THR 137   7.967  16.353   6.266
 1056    HG1  THR 137           HG1      THR 137   8.460  18.389   5.263
 1057   1HG2  THR 137          1HG2      THR 137  10.097  17.576   6.687
 1058   2HG2  THR 137          2HG2      THR 137  10.830  16.708   5.339
 1059   3HG2  THR 137          3HG2      THR 137  10.295  15.826   6.769
 1060    H    LYS 138           HN       LYS 138  10.564  13.522   5.078
 1061    HA   LYS 138           HA       LYS 138   8.880  11.442   6.174
 1062   1HB   LYS 138          2HB       LYS 138  11.024  10.964   5.027
 1063   2HB   LYS 138          1HB       LYS 138  11.890  11.789   6.322
 1064   1HG   LYS 138          2HG       LYS 138   9.997   9.689   7.205
 1065   2HG   LYS 138          1HG       LYS 138  11.403   9.111   6.309
 1066   1HD   LYS 138          2HD       LYS 138  11.677  11.075   8.587
 1067   2HD   LYS 138          1HD       LYS 138  11.663   9.335   8.862
 1068   1HE   LYS 138          2HE       LYS 138  13.549   9.095   7.254
 1069   2HE   LYS 138          1HE       LYS 138  13.591  10.850   7.079
 1070   1HZ   LYS 138          1HE       LYS 138  14.131   9.257   9.518
 1071   2HZ   LYS 138          2HE       LYS 138  13.878  10.937   9.552
 1072   3HZ   LYS 138          3HE       LYS 138  15.194  10.290   8.694
 1073    H    VAL 139           HN       VAL 139   8.050  11.452   8.198
 1074    HA   VAL 139           HA       VAL 139   9.304  13.205  10.243
 1075    HB   VAL 139           HB       VAL 139   7.178  12.760  11.513
 1076   1HG1  VAL 139          1HG1      VAL 139   7.449  14.737  10.038
 1077   2HG1  VAL 139          2HG1      VAL 139   5.782  14.161  10.056
 1078   3HG1  VAL 139          3HG1      VAL 139   6.826  13.796   8.683
 1079   1HG2  VAL 139          1HG2      VAL 139   5.857  11.739   9.070
 1080   2HG2  VAL 139          2HG2      VAL 139   5.597  11.298  10.758
 1081   3HG2  VAL 139          3HG2      VAL 139   6.940  10.593   9.859
 1082    H    SER 140           HN       SER 140   8.844   9.837   9.457
 1083    HA   SER 140           HA       SER 140  10.395   9.131  11.885
 1084   1HB   SER 140          2HB       SER 140   7.604   8.239  11.274
 1085   2HB   SER 140          1HB       SER 140   8.703   7.100  12.045
 1086    HG   SER 140           HG       SER 140   8.305   8.145  13.814
 1087    H    SER 141           HN       SER 141  11.765   7.412  11.552
 1088    HA   SER 141           HA       SER 141  11.385   5.645   9.219
 1089   1HB   SER 141          2HB       SER 141  12.786   7.808   8.644
 1090   2HB   SER 141          1HB       SER 141  14.070   6.944   9.478
 1091    HG   SER 141           HG       SER 141  13.750   6.600   7.103
 1092    H    ARG 142           HN       ARG 142  12.177   3.597   9.682
 1093    HA   ARG 142           HA       ARG 142  14.038   3.329  12.008
 1094   1HB   ARG 142          2HB       ARG 142  11.528   2.715  12.406
 1095   2HB   ARG 142          1HB       ARG 142  11.883   1.302  11.413
 1096   1HG   ARG 142          2HG       ARG 142  13.103   0.310  13.050
 1097   2HG   ARG 142          1HG       ARG 142  13.895   1.820  13.499
 1098   1HD   ARG 142          2HD       ARG 142  12.551   1.192  15.381
 1099   2HD   ARG 142          1HD       ARG 142  11.697   2.510  14.583
 1100    HE   ARG 142           HE       ARG 142  10.017   0.969  13.891
 1101   1HH1  ARG 142          1HH2      ARG 142  12.740  -0.620  15.364
 1102   2HH1  ARG 142          2HH2      ARG 142  11.913  -2.130  15.526
 1103   1HH2  ARG 142          1HH1      ARG 142   8.966  -1.004  14.101
 1104   2HH2  ARG 142          2HH1      ARG 142   9.793  -2.349  14.815
 1105    H    THR 143           HN       THR 143  15.825   2.048  11.486
 1106    HA   THR 143           HA       THR 143  15.729   0.679   8.845
 1107    HB   THR 143           HB       THR 143  18.240   1.074  10.440
 1108    HG1  THR 143           HG1      THR 143  17.250   3.054   8.702
 1109   1HG2  THR 143          1HG2      THR 143  19.287   0.775   8.421
 1110   2HG2  THR 143          2HG2      THR 143  17.996   1.563   7.515
 1111   3HG2  THR 143          3HG2      THR 143  17.798  -0.101   8.065
 1112    H    VAL 144           HN       VAL 144  15.660  -1.514   8.795
 1113    HA   VAL 144           HA       VAL 144  16.680  -3.000  11.176
 1114    HB   VAL 144           HB       VAL 144  14.211  -2.994  11.214
 1115   1HG1  VAL 144          1HG1      VAL 144  14.421  -3.036   8.467
 1116   2HG1  VAL 144          2HG1      VAL 144  12.937  -3.325   9.374
 1117   3HG1  VAL 144          3HG1      VAL 144  13.919  -4.686   8.832
 1118   1HG2  VAL 144          1HG2      VAL 144  13.909  -5.525  11.053
 1119   2HG2  VAL 144          2HG2      VAL 144  15.221  -4.979  12.097
 1120   3HG2  VAL 144          3HG2      VAL 144  15.576  -5.597  10.483
 1121    H    GLU 145           HN       GLU 145  18.123  -4.557  10.652
 1122    HA   GLU 145           HA       GLU 145  18.724  -5.027   7.805
 1123   1HB   GLU 145          2HB       GLU 145  20.115  -5.535  10.407
 1124   2HB   GLU 145          1HB       GLU 145  20.574  -6.501   9.004
 1125   1HG   GLU 145          HG2       GLU 145  21.099  -4.517   7.725
 1126   2HG   GLU 145          HG1       GLU 145  20.448  -3.473   8.990
 1127    H    ASP 146           HN       ASP 146  19.123  -7.290   7.064
 1128    HA   ASP 146           HA       ASP 146  17.472  -9.316   8.494
 1129   1HB   ASP 146          2HB       ASP 146  16.605  -7.993   6.191
 1130   2HB   ASP 146          1HB       ASP 146  17.230  -9.530   5.591
 1131    H    THR 147           HN       THR 147  18.080 -11.526   7.952
 1132    HA   THR 147           HA       THR 147  20.873 -11.959   7.674
 1133    HB   THR 147           HB       THR 147  20.131 -14.368   7.159
 1134    HG1  THR 147           HG1      THR 147  17.995 -14.767   7.223
 1135   1HG2  THR 147          1HG2      THR 147  19.752 -14.757   9.424
 1136   2HG2  THR 147          2HG2      THR 147  18.762 -13.310   9.610
 1137   3HG2  THR 147          3HG2      THR 147  20.514 -13.167   9.466
 1138    H    ASN 148           HN       ASN 148  18.529 -11.287   5.278
 1139    HA   ASN 148           HA       ASN 148  20.339 -12.341   3.146
 1140   1HB   ASN 148          2HB       ASN 148  17.774 -12.917   3.279
 1141   2HB   ASN 148          1HB       ASN 148  17.582 -11.321   2.557
 1142   1HD2  ASN 148          1HD2      ASN 148  19.757 -14.170   2.060
 1143   2HD2  ASN 148          2HD2      ASN 148  19.645 -14.135   0.367
 1144    HA   PRO 149           HA       PRO 149  21.958  -8.229   2.590
 1145   1HB   PRO 149          2HB       PRO 149  22.314  -8.876  -0.225
 1146   2HB   PRO 149          1HB       PRO 149  23.541  -8.622   1.023
 1147   1HG   PRO 149          2HG       PRO 149  22.637 -11.098  -0.104
 1148   2HG   PRO 149          1HG       PRO 149  23.903 -10.836   1.104
 1149   1HD   PRO 149          2HD       PRO 149  21.426 -12.060   1.556
 1150   2HD   PRO 149          1HD       PRO 149  22.543 -11.476   2.800
 1151    H    ALA 150           HN       ALA 150  19.799  -9.591   0.087
 1152    HA   ALA 150           HA       ALA 150  18.941  -6.934  -0.761
 1153   1HB   ALA 150          1HB       ALA 150  17.935  -9.711  -1.433
 1154   2HB   ALA 150          2HB       ALA 150  18.989  -8.695  -2.417
 1155   3HB   ALA 150          3HB       ALA 150  17.306  -8.235  -2.164
 1156    H    LEU 151           HN       LEU 151  17.678  -9.437   1.415
 1157    HA   LEU 151           HA       LEU 151  15.036  -8.322   1.614
 1158   1HB   LEU 151          2HB       LEU 151  16.626 -10.131   3.437
 1159   2HB   LEU 151          1HB       LEU 151  14.976  -9.637   3.798
 1160    HG   LEU 151           HG       LEU 151  15.862 -11.075   1.278
 1161   1HD1  LEU 151          1HD1      LEU 151  15.885 -12.488   3.322
 1162   2HD1  LEU 151          2HD1      LEU 151  14.616 -12.977   2.200
 1163   3HD1  LEU 151          3HD1      LEU 151  14.210 -12.035   3.635
 1164   1HD2  LEU 151          1HD2      LEU 151  13.890 -10.418   0.403
 1165   2HD2  LEU 151          2HD2      LEU 151  13.547  -9.486   1.860
 1166   3HD2  LEU 151          3HD2      LEU 151  13.043 -11.171   1.754
 1167    H    THR 152           HN       THR 152  17.965  -7.009   2.638
 1168    HA   THR 152           HA       THR 152  17.264  -5.920   5.191
 1169    HB   THR 152           HB       THR 152  18.940  -4.513   3.094
 1170    HG1  THR 152           HG1      THR 152  19.623  -6.621   4.861
 1171   1HG2  THR 152          1HG2      THR 152  19.677  -4.596   5.963
 1172   2HG2  THR 152          2HG2      THR 152  18.216  -3.687   5.574
 1173   3HG2  THR 152          3HG2      THR 152  19.750  -3.256   4.819
 1174    H    HIS 153           HN       HIS 153  16.009  -4.070   5.707
 1175    HA   HIS 153           HA       HIS 153  15.111  -2.325   3.504
 1176   1HB   HIS 153          2HB       HIS 153  12.686  -2.732   4.071
 1177   2HB   HIS 153          1HB       HIS 153  13.489  -4.066   3.251
 1178    HD1  HIS 153           HD1      HIS 153  14.533  -5.937   5.010
 1179    HD2  HIS 153           HD2      HIS 153  11.440  -3.515   6.405
 1180    HE1  HIS 153           HE1      HIS 153  13.568  -7.106   7.039
 1181    H    THR 154           HN       THR 154  13.959  -0.459   4.248
 1182    HA   THR 154           HA       THR 154  14.213   0.056   7.181
 1183    HB   THR 154           HB       THR 154  14.664   2.104   4.989
 1184    HG1  THR 154           HG1      THR 154  16.626   1.411   4.874
 1185   1HG2  THR 154          1HG2      THR 154  15.173   3.585   6.680
 1186   2HG2  THR 154          2HG2      THR 154  15.719   2.311   7.771
 1187   3HG2  THR 154          3HG2      THR 154  13.995   2.580   7.522
 1188    H    TYR 155           HN       TYR 155  12.481   1.371   8.042
 1189    HA   TYR 155           HA       TYR 155  10.120   1.481   6.231
 1190   1HB   TYR 155          2HB       TYR 155  10.310   1.637   9.255
 1191   2HB   TYR 155          1HB       TYR 155   8.810   1.663   8.328
 1192    HD1  TYR 155           HD1      TYR 155   8.553  -0.315   6.573
 1193    HD2  TYR 155           HD2      TYR 155  11.097  -0.417  10.032
 1194    HE1  TYR 155           HE1      TYR 155   8.545  -2.794   6.505
 1195    HE2  TYR 155           HE2      TYR 155  11.090  -2.896   9.964
 1196    HH   TYR 155           HH       TYR 155  10.717  -4.687   8.308
 1197    H    GLU 156           HN       GLU 156   9.608   3.443   5.412
 1198    HA   GLU 156           HA       GLU 156  10.534   5.863   6.892
 1199   1HB   GLU 156          2HB       GLU 156  10.027   5.407   3.943
 1200   2HB   GLU 156          1HB       GLU 156  10.359   6.990   4.647
 1201   1HG   GLU 156          HG2       GLU 156  12.397   5.627   5.739
 1202   2HG   GLU 156          HG1       GLU 156  12.182   4.659   4.275
 1203    H    VAL 157           HN       VAL 157   9.069   7.709   6.883
 1204    HA   VAL 157           HA       VAL 157   6.248   7.159   6.186
 1205    HB   VAL 157           HB       VAL 157   7.116   8.050   8.958
 1206   1HG1  VAL 157          1HG1      VAL 157   5.066   9.110   8.632
 1207   2HG1  VAL 157          2HG1      VAL 157   4.545   7.556   9.282
 1208   3HG1  VAL 157          3HG1      VAL 157   4.474   7.854   7.545
 1209   1HG2  VAL 157          1HG2      VAL 157   6.391   5.425   7.770
 1210   2HG2  VAL 157          2HG2      VAL 157   5.644   5.799   9.323
 1211   3HG2  VAL 157          3HG2      VAL 157   7.401   5.785   9.171
 1212    H    TRP 158           HN       TRP 158   5.559   8.969   5.091
 1213    HA   TRP 158           HA       TRP 158   6.901  11.559   5.770
 1214   1HB   TRP 158          2HB       TRP 158   5.718  10.808   3.087
 1215   2HB   TRP 158          1HB       TRP 158   6.677  12.234   3.466
 1216    HD1  TRP 158           HD1      TRP 158   7.151   8.392   3.753
 1217    HE1  TRP 158           HE1      TRP 158   9.571   7.843   3.055
 1218    HE3  TRP 158           HE3      TRP 158   8.880  13.098   2.789
 1219    HZ2  TRP 158           HZ2      TRP 158  11.928   9.218   2.198
 1220    HZ3  TRP 158           HZ3      TRP 158  11.213  13.450   2.032
 1221    HH2  TRP 158           HH2      TRP 158  12.738  11.518   1.735
 1222    H    GLN 159           HN       GLN 159   5.554  13.489   5.294
 1223    HA   GLN 159           HA       GLN 159   2.618  13.002   5.417
 1224   1HB   GLN 159          2HB       GLN 159   4.220  14.787   7.283
 1225   2HB   GLN 159          1HB       GLN 159   2.460  14.816   7.155
 1226   1HG   GLN 159          2HG       GLN 159   2.595  12.265   7.608
 1227   2HG   GLN 159          1HG       GLN 159   4.232  12.601   8.175
 1228   1HE2  GLN 159          1HE2      GLN 159   1.095  12.318   9.283
 1229   2HE2  GLN 159          2HE2      GLN 159   1.202  13.299  10.664
 1230    H    LYS 160           HN       LYS 160   1.449  14.617   4.236
 1231    HA   LYS 160           HA       LYS 160   3.006  16.180   2.375
 1232   1HB   LYS 160          2HB       LYS 160   0.651  15.179   2.053
 1233   2HB   LYS 160          1HB       LYS 160   0.072  16.579   2.957
 1234   1HG   LYS 160          2HG       LYS 160   1.895  17.583   1.037
 1235   2HG   LYS 160          1HG       LYS 160   0.873  16.423   0.187
 1236   1HD   LYS 160          2HD       LYS 160  -0.293  18.522   2.020
 1237   2HD   LYS 160          1HD       LYS 160   0.015  18.845   0.313
 1238   1HE   LYS 160          2HE       LYS 160  -1.360  16.301   0.701
 1239   2HE   LYS 160          1HE       LYS 160  -2.275  17.652   1.371
 1240   1HZ   LYS 160          1HE       LYS 160  -2.905  17.515  -0.864
 1241   2HZ   LYS 160          2HE       LYS 160  -1.309  17.293  -1.403
 1242   3HZ   LYS 160          3HE       LYS 160  -1.806  18.805  -0.810
 1243    H    LYS 161           HN       LYS 161   3.718  18.239   2.584
 1244    HA   LYS 161           HA       LYS 161   3.433  19.660   5.085
 1245   1HB   LYS 161          2HB       LYS 161   4.751  20.142   2.455
 1246   2HB   LYS 161          1HB       LYS 161   4.397  21.560   3.442
 1247   1HG   LYS 161          2HG       LYS 161   5.465  20.160   5.379
 1248   2HG   LYS 161          1HG       LYS 161   6.184  19.225   4.066
 1249   1HD   LYS 161          2HD       LYS 161   6.803  21.618   3.125
 1250   2HD   LYS 161          1HD       LYS 161   6.633  22.091   4.816
 1251   1HE   LYS 161          2HE       LYS 161   8.267  20.401   5.489
 1252   2HE   LYS 161          1HE       LYS 161   8.391  19.828   3.826
 1253   1HZ   LYS 161          1HE       LYS 161   9.789  21.460   3.316
 1254   2HZ   LYS 161          2HE       LYS 161   9.917  21.774   4.980
 1255   3HZ   LYS 161          3HE       LYS 161   8.812  22.648   4.031
 1256    H    ALA 162           HN       ALA 162   2.183  21.508   5.526
 1257    HA   ALA 162           HA       ALA 162   0.171  22.251   3.440
 1258   1HB   ALA 162          1HB       ALA 162  -1.581  22.151   4.960
 1259   2HB   ALA 162          2HB       ALA 162  -0.524  22.395   6.351
 1260   3HB   ALA 162          3HB       ALA 162  -0.575  20.826   5.547
 1261   AH51  NDP 168          AH51      NDP 168  -5.475  -1.621  -9.817
 1262   AH52  NDP 168          AH52      NDP 168  -5.685  -2.837  -8.546
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.546  -3.853  -9.880
 1264   AH3*  NDP 168          AH3*      NDP 168  -7.050  -1.548 -11.780
 1265   AHO3  NDP 168          AHO3      NDP 168  -7.636  -3.300 -13.219
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.425  -1.494 -12.132
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.107  -1.752  -9.460
 1268   AH8   NDP 168          AH8       NDP 168  -7.001   0.376 -10.065
 1269   AH61  NDP 168          AH61      NDP 168 -10.963   5.149 -10.159
 1270   AH62  NDP 168          AH62      NDP 168  -9.288   4.691  -9.978
 1271   AH2   NDP 168          AH2       NDP 168 -13.356   1.364 -10.011
 1272   NH51  NDP 168          NH51      NDP 168  -1.356  -4.654  -9.536
 1273   NH52  NDP 168          NH52      NDP 168  -1.203  -3.734  -8.035
 1274   NH4*  NDP 168          NH4*      NDP 168   1.046  -5.205  -9.498
 1275   NH3*  NDP 168          NH3*      NDP 168  -0.426  -5.901  -6.944
 1276   NHO3  NDP 168          NHO3      NDP 168  -0.192  -7.977  -7.972
 1277   NH2*  NDP 168          NH2*      NDP 168   1.636  -6.880  -6.185
 1278   NHO2  NDP 168          NHO2      NDP 168   2.471  -7.963  -7.879
 1279   NH1*  NDP 168          NH1*      NDP 168   3.248  -4.802  -7.084
 1280   NH2   NDP 168          NH2       NDP 168   3.813  -3.607  -5.102
 1281   NH71  NDP 168          NH71      NDP 168   5.210  -2.989  -4.375
 1282   NH72  NDP 168          NH72      NDP 168   5.682  -2.088  -2.953
 1283   NH41  NDP 168          NH41      NDP 168   0.747  -2.458  -2.844
 1284   NH42  NDP 168          NH42      NDP 168   1.236  -4.017  -2.097
 1285   NH5   NDP 168          NH5       NDP 168  -0.839  -4.263  -3.455
 1286   NH6   NDP 168          NH6       NDP 168  -0.190  -5.243  -5.711
 1287    H1   TRR 170           H1       TRR 170   4.655  -5.140   1.692
 1288   1H2   TRR 170          1H2       TRR 170   5.600  -3.137   2.570
 1289   2H2   TRR 170          2H2       TRR 170   4.706  -1.678   2.507
 1290   1H4   TRR 170          1H4       TRR 170  -0.358  -3.084  -0.056
 1291   2H4   TRR 170          2H4       TRR 170   0.307  -1.645   0.566
 1292    H6   TRR 170           H6       TRR 170   2.900  -6.404   0.627
 1293   1H7   TRR 170          1H7       TRR 170   0.408  -5.022  -1.221
 1294   2H7   TRR 170          2H7       TRR 170  -0.422  -5.137   0.330
 1295    H12  TRR 170           H12      TRR 170   1.160  -6.942  -2.304
 1296    H16  TRR 170           H16      TRR 170   0.194  -7.085   1.898
 1297   1H17  TRR 170          1H17      TRR 170   2.401  -8.012  -3.592
 1298   2H17  TRR 170          2H17      TRR 170   0.762  -8.394  -4.099
 1299   3H17  TRR 170          3H17      TRR 170   2.092  -9.449  -4.556
 1300   1H18  TRR 170          1H18      TRR 170   2.776 -11.838  -1.165
 1301   2H18  TRR 170          2H18      TRR 170   2.476 -12.401   0.472
 1302   3H18  TRR 170          3H18      TRR 170   3.127 -10.791   0.202
 1303   1H19  TRR 170          1H19      TRR 170   0.263  -9.722   4.181
 1304   2H19  TRR 170          2H19      TRR 170  -0.954  -8.793   3.321
 1305   3H19  TRR 170          3H19      TRR 170   0.688  -8.181   3.452
  Start of MODEL    7
    1   1H    THR   1          1H        THR   1  -5.164   9.488   4.575
    2   2H    THR   1          2H        THR   1  -6.751   9.301   4.001
    3   3H    THR   1          3H        THR   1  -5.889  10.728   3.674
    4    HA   THR   1           HA       THR   1  -5.721   8.111   2.399
    5    HB   THR   1           HB       THR   1  -4.893  10.723   1.199
    6    HG1  THR   1           HG1      THR   1  -6.739  11.535   1.752
    7   1HG2  THR   1          1HG2      THR   1  -4.763   8.914  -0.297
    8   2HG2  THR   1          2HG2      THR   1  -6.335   9.629  -0.662
    9   3HG2  THR   1          3HG2      THR   1  -6.236   8.174   0.330
   10    H    ALA   2           HN       ALA   2  -3.876   6.980   2.574
   11    HA   ALA   2           HA       ALA   2  -1.301   8.473   2.451
   12   1HB   ALA   2          1HB       ALA   2  -1.892   6.210   4.380
   13   2HB   ALA   2          2HB       ALA   2  -1.792   7.913   4.826
   14   3HB   ALA   2          3HB       ALA   2  -0.363   7.073   4.224
   15    H    PHE   3           HN       PHE   3   0.509   7.068   1.804
   16    HA   PHE   3           HA       PHE   3  -0.428   4.798   0.097
   17   1HB   PHE   3          2HB       PHE   3   1.936   6.676  -0.145
   18   2HB   PHE   3          1HB       PHE   3   1.857   5.161  -1.037
   19    HD1  PHE   3           HD1      PHE   3  -1.361   5.484  -1.199
   20    HD2  PHE   3           HD2      PHE   3   2.008   7.892  -2.314
   21    HE1  PHE   3           HE1      PHE   3  -2.729   6.576  -2.946
   22    HE2  PHE   3           HE2      PHE   3   0.638   8.990  -4.062
   23    HZ   PHE   3           HZ       PHE   3  -1.729   8.332  -4.379
   24    H    LEU   4           HN       LEU   4   0.346   2.771   0.602
   25    HA   LEU   4           HA       LEU   4   2.678   2.609   2.452
   26   1HB   LEU   4          2HB       LEU   4   0.745   2.309   3.876
   27   2HB   LEU   4          1HB       LEU   4   0.010   1.192   2.728
   28    HG   LEU   4           HG       LEU   4   1.858  -0.407   3.096
   29   1HD1  LEU   4          1HD1      LEU   4   3.524   0.000   4.828
   30   2HD1  LEU   4          2HD1      LEU   4   2.784   1.552   5.218
   31   3HD1  LEU   4          3HD1      LEU   4   3.576   1.321   3.660
   32   1HD2  LEU   4          1HD2      LEU   4   0.645   0.547   5.709
   33   2HD2  LEU   4          2HD2      LEU   4   1.234  -1.078   5.357
   34   3HD2  LEU   4          3HD2      LEU   4  -0.194  -0.459   4.528
   35    H    TRP   5           HN       TRP   5   4.072   1.822   0.868
   36    HA   TRP   5           HA       TRP   5   3.375  -0.870  -0.174
   37   1HB   TRP   5          2HB       TRP   5   4.158  -0.321  -2.401
   38   2HB   TRP   5          1HB       TRP   5   2.913   0.836  -1.946
   39    HD1  TRP   5           HD1      TRP   5   6.309   0.662  -3.291
   40    HE1  TRP   5           HE1      TRP   5   7.445   2.971  -3.256
   41    HE3  TRP   5           HE3      TRP   5   3.102   3.186  -0.215
   42    HZ2  TRP   5           HZ2      TRP   5   7.058   5.541  -2.082
   43    HZ3  TRP   5           HZ3      TRP   5   3.520   5.562   0.346
   44    HH2  TRP   5           HH2      TRP   5   5.490   6.742  -0.583
   45    H    ALA   6           HN       ALA   6   5.499  -1.740  -1.329
   46    HA   ALA   6           HA       ALA   6   7.878  -0.961   0.293
   47   1HB   ALA   6          1HB       ALA   6   6.626  -3.682  -0.020
   48   2HB   ALA   6          2HB       ALA   6   7.248  -2.912   1.440
   49   3HB   ALA   6          3HB       ALA   6   8.366  -3.539   0.228
   50    H    GLN   7           HN       GLN   7   9.607  -0.636  -1.037
   51    HA   GLN   7           HA       GLN   7   9.597  -2.036  -3.666
   52   1HB   GLN   7          2HB       GLN   7  10.490   0.097  -4.679
   53   2HB   GLN   7          1HB       GLN   7   8.806   0.174  -4.165
   54   1HG   GLN   7          2HG       GLN   7   9.330   1.433  -2.233
   55   2HG   GLN   7          1HG       GLN   7  11.042   1.022  -2.325
   56   1HE2  GLN   7          1HE2      GLN   7   9.108   2.034  -5.148
   57   2HE2  GLN   7          2HE2      GLN   7   9.926   3.501  -5.387
   58    H    ASP   8           HN       ASP   8  11.731  -2.165  -4.673
   59    HA   ASP   8           HA       ASP   8  13.806  -2.617  -2.646
   60   1HB   ASP   8          2HB       ASP   8  15.103  -3.521  -4.580
   61   2HB   ASP   8          1HB       ASP   8  13.520  -4.277  -4.409
   62    H    ARG   9           HN       ARG   9  16.124  -2.019  -3.955
   63    HA   ARG   9           HA       ARG   9  16.478   0.742  -3.433
   64   1HB   ARG   9          2HB       ARG   9  18.638   0.515  -4.647
   65   2HB   ARG   9          1HB       ARG   9  18.379  -0.778  -3.480
   66   1HG   ARG   9          2HG       ARG   9  18.904  -2.139  -5.225
   67   2HG   ARG   9          1HG       ARG   9  17.232  -1.864  -5.705
   68   1HD   ARG   9          2HD       ARG   9  17.945  -0.880  -7.597
   69   2HD   ARG   9          1HD       ARG   9  18.769   0.351  -6.644
   70    HE   ARG   9           HE       ARG   9  20.011  -2.037  -7.842
   71   1HH1  ARG   9          1HH1      ARG   9  20.253   0.617  -5.608
   72   2HH1  ARG   9          2HH1      ARG   9  21.979   0.554  -5.547
   73   1HH2  ARG   9          1HH2      ARG   9  22.251  -2.102  -7.746
   74   2HH2  ARG   9          2HH2      ARG   9  23.104  -0.973  -6.747
   75    H    ASP  10           HN       ASP  10  15.860  -0.905  -6.558
   76    HA   ASP  10           HA       ASP  10  16.041   1.528  -8.101
   77   1HB   ASP  10          2HB       ASP  10  15.343  -1.291  -8.570
   78   2HB   ASP  10          1HB       ASP  10  14.448  -0.161  -9.586
   79    H    GLY  11           HN       GLY  11  13.396  -0.137  -6.447
   80   1HA   GLY  11          2HA       GLY  11  11.541   1.282  -5.625
   81   2HA   GLY  11          1HA       GLY  11  11.678   2.218  -7.107
   82    H    LEU  12           HN       LEU  12  11.605  -1.342  -6.809
   83    HA   LEU  12           HA       LEU  12   9.306  -1.346  -8.697
   84   1HB   LEU  12          2HB       LEU  12  11.194  -2.818  -9.255
   85   2HB   LEU  12          1HB       LEU  12  11.062  -3.606  -7.685
   86    HG   LEU  12           HG       LEU  12   8.610  -4.135  -8.391
   87   1HD1  LEU  12          1HD1      LEU  12   9.030  -2.530 -10.451
   88   2HD1  LEU  12          2HD1      LEU  12   8.022  -3.968 -10.622
   89   3HD1  LEU  12          3HD1      LEU  12   9.698  -3.993 -11.176
   90   1HD2  LEU  12          1HD2      LEU  12   9.316  -6.226  -9.132
   91   2HD2  LEU  12          2HD2      LEU  12  10.783  -5.636  -8.349
   92   3HD2  LEU  12          3HD2      LEU  12  10.624  -5.553 -10.103
   93    H    ILE  13           HN       ILE  13   7.392  -2.651  -8.189
   94    HA   ILE  13           HA       ILE  13   7.104  -3.332  -5.311
   95    HB   ILE  13           HB       ILE  13   4.643  -2.446  -5.667
   96   1HG1  ILE  13          2HG1      ILE  13   5.669  -0.168  -7.134
   97   2HG1  ILE  13          1HG1      ILE  13   5.828  -1.630  -8.102
   98   1HG2  ILE  13          1HG2      ILE  13   5.295  -0.886  -4.175
   99   2HG2  ILE  13          2HG2      ILE  13   6.391  -0.124  -5.328
  100   3HG2  ILE  13          3HG2      ILE  13   6.923  -1.524  -4.398
  101   1HD1  ILE  13          1HD1      ILE  13   3.650  -1.052  -8.626
  102   2HD1  ILE  13          2HD1      ILE  13   3.357  -0.318  -7.049
  103   3HD1  ILE  13          3HD1      ILE  13   3.361  -2.073  -7.217
  104    H    GLY  14           HN       GLY  14   5.162  -3.378  -8.315
  105   1HA   GLY  14          2HA       GLY  14   4.024  -5.963  -7.599
  106   2HA   GLY  14          1HA       GLY  14   3.703  -5.065  -9.080
  107    H    LYS  15           HN       LYS  15   4.626  -7.939  -8.337
  108    HA   LYS  15           HA       LYS  15   6.599  -8.117 -10.552
  109   1HB   LYS  15          2HB       LYS  15   7.531  -8.259  -8.053
  110   2HB   LYS  15          1HB       LYS  15   6.968  -9.923  -8.201
  111   1HG   LYS  15          2HG       LYS  15   8.428  -8.995 -10.571
  112   2HG   LYS  15          1HG       LYS  15   9.408  -8.979  -9.106
  113   1HD   LYS  15          2HD       LYS  15   8.955 -11.308  -8.683
  114   2HD   LYS  15          1HD       LYS  15   7.749 -11.360  -9.969
  115   1HE   LYS  15          2HE       LYS  15   9.734 -12.330 -10.888
  116   2HE   LYS  15          1HE       LYS  15   9.616 -10.712 -11.578
  117   1HZ   LYS  15          1HE       LYS  15  11.585 -11.804  -9.784
  118   2HZ   LYS  15          2HE       LYS  15  10.998 -10.285  -9.299
  119   3HZ   LYS  15          3HE       LYS  15  11.694 -10.479 -10.836
  120    H    ASP  16           HN       ASP  16   4.580  -8.841 -11.687
  121    HA   ASP  16           HA       ASP  16   3.102 -10.483 -12.432
  122   1HB   ASP  16          2HB       ASP  16   5.504 -12.061 -11.512
  123   2HB   ASP  16          1HB       ASP  16   4.118 -12.841 -12.275
  124    H    GLY  17           HN       GLY  17   2.021  -9.631 -10.142
  125   1HA   GLY  17          2HA       GLY  17   0.391 -10.415  -8.629
  126   2HA   GLY  17          1HA       GLY  17   0.869 -12.067  -9.015
  127    H    HIS  18           HN       HIS  18   2.765 -12.937  -7.942
  128    HA   HIS  18           HA       HIS  18   2.899 -12.382  -5.166
  129   1HB   HIS  18          2HB       HIS  18   4.962 -13.788  -5.204
  130   2HB   HIS  18          1HB       HIS  18   3.627 -14.523  -6.087
  131    HD1  HIS  18           HD1      HIS  18   7.056 -13.196  -6.517
  132    HD2  HIS  18           HD2      HIS  18   3.892 -14.326  -8.985
  133    HE1  HIS  18           HE1      HIS  18   8.012 -13.417  -8.852
  134    H    LEU  19           HN       LEU  19   5.589 -12.150  -4.479
  135    HA   LEU  19           HA       LEU  19   6.191  -9.368  -5.389
  136   1HB   LEU  19          2HB       LEU  19   6.462 -10.790  -2.772
  137   2HB   LEU  19          1HB       LEU  19   7.676  -9.575  -3.172
  138    HG   LEU  19           HG       LEU  19   4.736  -8.983  -3.464
  139   1HD1  LEU  19          1HD1      LEU  19   5.704  -9.763  -1.066
  140   2HD1  LEU  19          2HD1      LEU  19   4.478  -8.508  -1.235
  141   3HD1  LEU  19          3HD1      LEU  19   6.171  -8.063  -1.027
  142   1HD2  LEU  19          1HD2      LEU  19   6.178  -7.381  -4.519
  143   2HD2  LEU  19          2HD2      LEU  19   7.272  -7.361  -3.137
  144   3HD2  LEU  19          3HD2      LEU  19   5.663  -6.653  -2.998
  145    HA   PRO  20           HA       PRO  20  10.041 -10.753  -7.075
  146   1HB   PRO  20          2HB       PRO  20  11.512  -8.425  -6.245
  147   2HB   PRO  20          1HB       PRO  20  10.816  -8.764  -7.835
  148   1HG   PRO  20          2HG       PRO  20   9.955  -6.785  -6.091
  149   2HG   PRO  20          1HG       PRO  20   9.024  -7.430  -7.449
  150   1HD   PRO  20          2HD       PRO  20   8.764  -7.996  -4.542
  151   2HD   PRO  20          1HD       PRO  20   7.530  -8.034  -5.822
  152    H    TRP  21           HN       TRP  21  10.273  -9.304  -3.823
  153    HA   TRP  21           HA       TRP  21  12.501 -11.207  -3.222
  154   1HB   TRP  21          2HB       TRP  21  13.055  -9.555  -1.403
  155   2HB   TRP  21          1HB       TRP  21  13.194  -8.885  -3.029
  156    HD1  TRP  21           HD1      TRP  21  10.783  -8.944  -0.041
  157    HE1  TRP  21           HE1      TRP  21   9.260  -6.869  -0.176
  158    HE3  TRP  21           HE3      TRP  21  12.283  -7.051  -4.536
  159    HZ2  TRP  21           HZ2      TRP  21   8.744  -4.696  -1.961
  160    HZ3  TRP  21           HZ3      TRP  21  11.256  -4.981  -5.433
  161    HH2  TRP  21           HH2      TRP  21   9.491  -3.807  -4.151
  162    H    HIS  22           HN       HIS  22  12.294 -12.516  -1.411
  163    HA   HIS  22           HA       HIS  22   9.599 -12.718  -0.228
  164   1HB   HIS  22          2HB       HIS  22  11.081 -14.706  -0.948
  165   2HB   HIS  22          1HB       HIS  22  12.007 -14.385   0.518
  166    HD1  HIS  22           HD1      HIS  22   8.455 -15.200  -0.566
  167    HD2  HIS  22           HD2      HIS  22  10.842 -15.374   2.847
  168    HE1  HIS  22           HE1      HIS  22   7.102 -16.420   1.193
  169    H    LEU  23           HN       LEU  23   9.429 -10.903   1.162
  170    HA   LEU  23           HA       LEU  23  11.409 -10.837   3.408
  171   1HB   LEU  23          2HB       LEU  23  11.152  -8.806   1.742
  172   2HB   LEU  23          1HB       LEU  23   9.722  -8.455   2.712
  173    HG   LEU  23           HG       LEU  23  11.206  -8.627   4.764
  174   1HD1  LEU  23          1HD1      LEU  23  13.290  -8.742   2.576
  175   2HD1  LEU  23          2HD1      LEU  23  13.066  -9.864   3.919
  176   3HD1  LEU  23          3HD1      LEU  23  13.670  -8.236   4.222
  177   1HD2  LEU  23          1HD2      LEU  23  11.072  -6.510   2.758
  178   2HD2  LEU  23          2HD2      LEU  23  12.564  -6.422   3.692
  179   3HD2  LEU  23          3HD2      LEU  23  11.007  -6.385   4.516
  180    HA   PRO  24           HA       PRO  24   7.573 -12.101   5.523
  181   1HB   PRO  24          2HB       PRO  24   9.146 -12.856   7.775
  182   2HB   PRO  24          1HB       PRO  24   8.398 -13.922   6.580
  183   1HG   PRO  24          2HG       PRO  24  11.165 -13.387   6.945
  184   2HG   PRO  24          1HG       PRO  24  10.408 -14.395   5.705
  185   1HD   PRO  24          2HD       PRO  24  11.580 -11.754   5.432
  186   2HD   PRO  24          1HD       PRO  24  11.017 -12.857   4.168
  187    H    ASP  25           HN       ASP  25  10.327 -10.279   6.818
  188    HA   ASP  25           HA       ASP  25   8.918  -9.113   9.038
  189   1HB   ASP  25          2HB       ASP  25  11.507  -9.179   8.383
  190   2HB   ASP  25          1HB       ASP  25  11.116  -7.607   7.683
  191    H    ASP  26           HN       ASP  26   8.935  -8.448   5.627
  192    HA   ASP  26           HA       ASP  26   7.987  -5.702   5.863
  193   1HB   ASP  26          2HB       ASP  26   9.157  -6.383   3.838
  194   2HB   ASP  26          1HB       ASP  26   7.977  -7.657   3.541
  195    H    LEU  27           HN       LEU  27   6.448  -8.849   5.077
  196    HA   LEU  27           HA       LEU  27   3.806  -7.985   4.724
  197   1HB   LEU  27          2HB       LEU  27   4.811 -10.485   6.118
  198   2HB   LEU  27          1HB       LEU  27   3.140 -10.234   5.614
  199    HG   LEU  27           HG       LEU  27   5.290  -9.817   3.581
  200   1HD1  LEU  27          1HD1      LEU  27   6.025 -11.944   3.595
  201   2HD1  LEU  27          2HD1      LEU  27   4.371 -12.549   3.502
  202   3HD1  LEU  27          3HD1      LEU  27   5.104 -12.224   5.073
  203   1HD2  LEU  27          1HD2      LEU  27   3.133 -11.346   2.608
  204   2HD2  LEU  27          2HD2      LEU  27   3.400  -9.621   2.360
  205   3HD2  LEU  27          3HD2      LEU  27   2.409 -10.174   3.710
  206    H    HIS  28           HN       HIS  28   5.331  -8.946   7.825
  207    HA   HIS  28           HA       HIS  28   3.143  -8.327   9.513
  208   1HB   HIS  28          2HB       HIS  28   6.114  -8.049  10.072
  209   2HB   HIS  28          1HB       HIS  28   4.850  -8.050  11.302
  210    HD1  HIS  28           HD1      HIS  28   3.102 -10.316  10.733
  211    HD2  HIS  28           HD2      HIS  28   7.190 -10.579   9.960
  212    HE1  HIS  28           HE1      HIS  28   3.660 -12.786  10.658
  213    H    TYR  29           HN       TYR  29   5.694  -6.255   8.193
  214    HA   TYR  29           HA       TYR  29   5.011  -3.881   9.649
  215   1HB   TYR  29          2HB       TYR  29   7.124  -4.271   8.293
  216   2HB   TYR  29          1HB       TYR  29   6.155  -4.002   6.845
  217    HD1  TYR  29           HD1      TYR  29   7.126  -2.435  10.096
  218    HD2  TYR  29           HD2      TYR  29   5.690  -1.814   6.095
  219    HE1  TYR  29           HE1      TYR  29   7.362   0.016  10.392
  220    HE2  TYR  29           HE2      TYR  29   5.925   0.637   6.392
  221    HH   TYR  29           HH       TYR  29   6.136   2.283   8.025
  222    H    PHE  30           HN       PHE  30   3.822  -5.309   6.656
  223    HA   PHE  30           HA       PHE  30   2.209  -3.054   5.850
  224   1HB   PHE  30          2HB       PHE  30   2.883  -4.839   4.277
  225   2HB   PHE  30          1HB       PHE  30   1.895  -5.994   5.172
  226    HD1  PHE  30           HD1      PHE  30   1.479  -2.520   3.793
  227    HD2  PHE  30           HD2      PHE  30  -0.169  -6.459   4.229
  228    HE1  PHE  30           HE1      PHE  30  -0.520  -1.826   2.500
  229    HE2  PHE  30           HE2      PHE  30  -2.167  -5.770   2.936
  230    HZ   PHE  30           HZ       PHE  30  -2.342  -3.452   2.071
  231    H    ARG  31           HN       ARG  31   1.404  -6.110   7.546
  232    HA   ARG  31           HA       ARG  31  -1.364  -5.523   7.911
  233   1HB   ARG  31          2HB       ARG  31  -0.113  -7.746   8.286
  234   2HB   ARG  31          1HB       ARG  31   0.317  -7.097   9.868
  235   1HG   ARG  31          2HG       ARG  31  -2.048  -6.811  10.429
  236   2HG   ARG  31          1HG       ARG  31  -2.517  -7.372   8.823
  237   1HD   ARG  31          2HD       ARG  31  -2.688  -9.185  10.510
  238   2HD   ARG  31          1HD       ARG  31  -1.495  -9.559   9.265
  239    HE   ARG  31           HE       ARG  31  -0.380  -8.244  11.633
  240   1HH1  ARG  31          1HH2      ARG  31  -1.231 -11.237  10.086
  241   2HH1  ARG  31          2HH2      ARG  31  -0.097 -12.167  11.002
  242   1HH2  ARG  31          1HH1      ARG  31   1.084  -9.470  12.823
  243   2HH2  ARG  31          2HH1      ARG  31   1.205 -11.175  12.543
  244    H    ALA  32           HN       ALA  32   1.189  -5.397  10.409
  245    HA   ALA  32           HA       ALA  32  -0.180  -4.030  12.399
  246   1HB   ALA  32          1HB       ALA  32   2.701  -4.009  11.558
  247   2HB   ALA  32          2HB       ALA  32   1.971  -4.683  13.015
  248   3HB   ALA  32          3HB       ALA  32   2.166  -2.938  12.852
  249    H    GLN  33           HN       GLN  33   1.310  -2.619   9.498
  250    HA   GLN  33           HA       GLN  33   0.896   0.125  10.301
  251   1HB   GLN  33          2HB       GLN  33   1.635  -1.301   7.783
  252   2HB   GLN  33          1HB       GLN  33   1.056   0.358   7.651
  253   1HG   GLN  33          2HG       GLN  33   2.963   0.089   9.831
  254   2HG   GLN  33          1HG       GLN  33   3.661  -0.447   8.302
  255   1HE2  GLN  33          1HE2      GLN  33   2.014   2.333   9.846
  256   2HE2  GLN  33          2HE2      GLN  33   2.608   3.491   8.758
  257    H    THR  34           HN       THR  34  -1.227  -2.290   9.057
  258    HA   THR  34           HA       THR  34  -3.235  -0.156   8.442
  259    HB   THR  34           HB       THR  34  -4.308  -1.875   6.938
  260    HG1  THR  34           HG1      THR  34  -2.388  -3.395   8.048
  261   1HG2  THR  34          1HG2      THR  34  -1.457  -1.050   6.331
  262   2HG2  THR  34          2HG2      THR  34  -2.907  -0.094   6.025
  263   3HG2  THR  34          3HG2      THR  34  -2.632  -1.589   5.130
  264    H    VAL  35           HN       VAL  35  -2.660  -1.540  11.040
  265    HA   VAL  35           HA       VAL  35  -4.942  -3.331  11.452
  266    HB   VAL  35           HB       VAL  35  -4.239  -3.242  13.849
  267   1HG1  VAL  35          1HG1      VAL  35  -3.243  -4.894  12.338
  268   2HG1  VAL  35          2HG1      VAL  35  -2.033  -4.322  13.486
  269   3HG1  VAL  35          3HG1      VAL  35  -2.030  -3.721  11.829
  270   1HG2  VAL  35          1HG2      VAL  35  -1.713  -2.003  13.621
  271   2HG2  VAL  35          2HG2      VAL  35  -3.102  -1.419  14.537
  272   3HG2  VAL  35          3HG2      VAL  35  -2.856  -0.886  12.874
  273    H    GLY  36           HN       GLY  36  -6.960  -2.515  11.605
  274   1HA   GLY  36          2HA       GLY  36  -8.725  -1.220  12.490
  275   2HA   GLY  36          1HA       GLY  36  -7.545  -0.348  13.464
  276    H    LYS  37           HN       LYS  37  -6.703  -0.449  10.144
  277    HA   LYS  37           HA       LYS  37  -7.843   2.300   9.788
  278   1HB   LYS  37          2HB       LYS  37  -5.190   1.166   8.859
  279   2HB   LYS  37          1HB       LYS  37  -5.836   2.717   8.320
  280   1HG   LYS  37          2HG       LYS  37  -5.597   3.703  10.414
  281   2HG   LYS  37          1HG       LYS  37  -5.667   2.157  11.262
  282   1HD   LYS  37          2HD       LYS  37  -3.396   2.614  11.414
  283   2HD   LYS  37          1HD       LYS  37  -3.435   1.686   9.915
  284   1HE   LYS  37          2HE       LYS  37  -3.560   3.792   8.621
  285   2HE   LYS  37          1HE       LYS  37  -3.489   4.711  10.125
  286   1HZ   LYS  37          1HE       LYS  37  -1.303   4.631   9.328
  287   2HZ   LYS  37          2HE       LYS  37  -1.402   2.979   8.940
  288   3HZ   LYS  37          3HE       LYS  37  -1.352   3.472  10.565
  289    H    ILE  38           HN       ILE  38  -8.457   2.852   7.563
  290    HA   ILE  38           HA       ILE  38  -9.662   0.606   6.170
  291    HB   ILE  38           HB       ILE  38  -9.301   3.437   5.147
  292   1HG1  ILE  38          2HG1      ILE  38 -11.544   2.248   6.818
  293   2HG1  ILE  38          1HG1      ILE  38 -10.358   3.418   7.395
  294   1HG2  ILE  38          1HG2      ILE  38 -10.030   1.936   3.416
  295   2HG2  ILE  38          2HG2      ILE  38 -11.457   2.818   3.960
  296   3HG2  ILE  38          3HG2      ILE  38 -11.187   1.161   4.498
  297   1HD1  ILE  38          1HD1      ILE  38 -12.665   4.310   6.598
  298   2HD1  ILE  38          2HD1      ILE  38 -12.051   4.014   4.972
  299   3HD1  ILE  38          3HD1      ILE  38 -11.216   5.142   6.039
  300    H    MET  39           HN       MET  39  -8.682  -0.669   4.685
  301    HA   MET  39           HA       MET  39  -6.113   0.291   3.500
  302   1HB   MET  39          2HB       MET  39  -6.253  -1.868   4.922
  303   2HB   MET  39          1HB       MET  39  -7.071  -2.569   3.526
  304   1HG   MET  39          2HG       MET  39  -4.910  -1.338   2.351
  305   2HG   MET  39          1HG       MET  39  -4.229  -1.881   3.884
  306   1HE   MET  39          1HE       MET  39  -5.147  -4.630   4.742
  307   2HE   MET  39          2HE       MET  39  -3.569  -3.889   4.490
  308   3HE   MET  39          3HE       MET  39  -3.909  -5.476   3.804
  309    H    VAL  40           HN       VAL  40  -6.341   0.992   1.425
  310    HA   VAL  40           HA       VAL  40  -8.603  -0.012  -0.199
  311    HB   VAL  40           HB       VAL  40  -6.537   2.093  -0.896
  312   1HG1  VAL  40          1HG1      VAL  40  -8.183   0.816  -2.596
  313   2HG1  VAL  40          2HG1      VAL  40  -7.786   2.525  -2.775
  314   3HG1  VAL  40          3HG1      VAL  40  -9.299   2.046  -2.006
  315   1HG2  VAL  40          1HG2      VAL  40  -8.797   3.481  -0.383
  316   2HG2  VAL  40          2HG2      VAL  40  -7.573   3.169   0.848
  317   3HG2  VAL  40          3HG2      VAL  40  -9.010   2.152   0.757
  318    H    VAL  41           HN       VAL  41  -8.285  -1.756  -1.454
  319    HA   VAL  41           HA       VAL  41  -5.610  -2.126  -2.731
  320    HB   VAL  41           HB       VAL  41  -6.148  -4.645  -2.552
  321   1HG1  VAL  41          1HG1      VAL  41  -5.233  -2.785  -0.412
  322   2HG1  VAL  41          2HG1      VAL  41  -4.356  -4.079  -1.228
  323   3HG1  VAL  41          3HG1      VAL  41  -5.512  -4.465   0.046
  324   1HG2  VAL  41          1HG2      VAL  41  -8.077  -3.475  -0.526
  325   2HG2  VAL  41          2HG2      VAL  41  -7.536  -5.151  -0.487
  326   3HG2  VAL  41          3HG2      VAL  41  -8.456  -4.555  -1.868
  327    H    GLY  42           HN       GLY  42  -5.774  -2.263  -4.914
  328   1HA   GLY  42          2HA       GLY  42  -8.286  -2.028  -6.254
  329   2HA   GLY  42          1HA       GLY  42  -6.750  -2.384  -7.035
  330    H    ARG  43           HN       ARG  43  -9.343  -3.547  -7.648
  331    HA   ARG  43           HA       ARG  43  -9.851  -6.086  -6.608
  332   1HB   ARG  43          2HB       ARG  43 -11.180  -4.854  -8.375
  333   2HB   ARG  43          1HB       ARG  43  -9.988  -5.400  -9.554
  334   1HG   ARG  43          2HG       ARG  43 -10.901  -7.603  -7.883
  335   2HG   ARG  43          1HG       ARG  43 -12.252  -6.814  -8.697
  336   1HD   ARG  43          2HD       ARG  43  -9.726  -7.758 -10.086
  337   2HD   ARG  43          1HD       ARG  43 -11.247  -8.650 -10.060
  338    HE   ARG  43           HE       ARG  43 -11.609  -5.943 -11.037
  339   1HH1  ARG  43          1HH2      ARG  43 -10.566  -9.150 -11.858
  340   2HH1  ARG  43          2HH2      ARG  43 -10.912  -8.959 -13.543
  341   1HH2  ARG  43          1HH1      ARG  43 -12.054  -5.707 -13.233
  342   2HH2  ARG  43          2HH1      ARG  43 -11.751  -7.022 -14.317
  343    H    ARG  44           HN       ARG  44  -7.097  -5.106  -8.537
  344    HA   ARG  44           HA       ARG  44  -6.464  -7.786  -9.469
  345   1HB   ARG  44          2HB       ARG  44  -5.218  -5.099  -9.562
  346   2HB   ARG  44          1HB       ARG  44  -4.094  -6.458  -9.598
  347   1HG   ARG  44          2HG       ARG  44  -6.504  -6.600 -11.357
  348   2HG   ARG  44          1HG       ARG  44  -5.204  -5.507 -11.833
  349   1HD   ARG  44          2HD       ARG  44  -3.586  -7.391 -11.626
  350   2HD   ARG  44          1HD       ARG  44  -4.931  -8.473 -11.262
  351    HE   ARG  44           HE       ARG  44  -4.209  -7.484 -13.894
  352   1HH1  ARG  44          1HH1      ARG  44  -6.823  -8.490 -11.843
  353   2HH1  ARG  44          2HH1      ARG  44  -7.835  -8.960 -13.166
  354   1HH2  ARG  44          1HH2      ARG  44  -5.534  -8.097 -15.605
  355   2HH2  ARG  44          2HH2      ARG  44  -7.110  -8.740 -15.285
  356    H    THR  45           HN       THR  45  -5.229  -5.691  -6.840
  357    HA   THR  45           HA       THR  45  -3.403  -7.700  -5.841
  358    HB   THR  45           HB       THR  45  -4.577  -5.474  -4.173
  359    HG1  THR  45           HG1      THR  45  -2.593  -5.341  -6.192
  360   1HG2  THR  45          1HG2      THR  45  -2.994  -7.193  -3.200
  361   2HG2  THR  45          2HG2      THR  45  -2.422  -5.528  -3.092
  362   3HG2  THR  45          3HG2      THR  45  -1.771  -6.605  -4.326
  363    H    TYR  46           HN       TYR  46  -6.638  -6.601  -4.763
  364    HA   TYR  46           HA       TYR  46  -6.939  -8.327  -2.554
  365   1HB   TYR  46          2HB       TYR  46  -8.529  -6.480  -3.439
  366   2HB   TYR  46          1HB       TYR  46  -9.209  -7.751  -4.456
  367    HD1  TYR  46           HD1      TYR  46 -10.528  -9.544  -3.519
  368    HD2  TYR  46           HD2      TYR  46  -8.633  -6.658  -0.968
  369    HE1  TYR  46           HE1      TYR  46 -11.866 -10.363  -1.598
  370    HE2  TYR  46           HE2      TYR  46  -9.968  -7.475   0.953
  371    HH   TYR  46           HH       TYR  46 -11.238  -9.288   1.673
  372    H    GLU  47           HN       GLU  47  -7.323  -8.980  -6.004
  373    HA   GLU  47           HA       GLU  47  -8.381 -11.670  -5.571
  374   1HB   GLU  47          2HB       GLU  47  -7.599 -10.001  -7.919
  375   2HB   GLU  47          1HB       GLU  47  -7.597 -11.752  -8.133
  376   1HG   GLU  47          HG2       GLU  47  -9.971 -10.838  -6.700
  377   2HG   GLU  47          HG1       GLU  47  -9.829 -10.081  -8.286
  378    H    SER  48           HN       SER  48  -5.255 -10.219  -5.638
  379    HA   SER  48           HA       SER  48  -3.930 -12.823  -6.175
  380   1HB   SER  48          2HB       SER  48  -3.143 -10.650  -7.252
  381   2HB   SER  48          1HB       SER  48  -2.601 -10.155  -5.651
  382    HG   SER  48           HG       SER  48  -1.386 -12.158  -5.624
  383    H    PHE  49           HN       PHE  49  -4.808 -10.724  -3.562
  384    HA   PHE  49           HA       PHE  49  -2.909 -11.122  -1.593
  385   1HB   PHE  49          2HB       PHE  49  -5.798 -10.666  -1.642
  386   2HB   PHE  49          1HB       PHE  49  -5.287 -11.564  -0.214
  387    HD1  PHE  49           HD1      PHE  49  -4.900  -8.406  -2.099
  388    HD2  PHE  49           HD2      PHE  49  -3.859 -10.565   1.463
  389    HE1  PHE  49           HE1      PHE  49  -4.033  -6.316  -1.083
  390    HE2  PHE  49           HE2      PHE  49  -2.991  -8.480   2.475
  391    HZ   PHE  49           HZ       PHE  49  -3.076  -6.354   1.204
  392    HA   PRO  50           HA       PRO  50  -2.753 -15.497  -0.773
  393   1HB   PRO  50          2HB       PRO  50  -1.627 -15.285   1.769
  394   2HB   PRO  50          1HB       PRO  50  -0.732 -15.272   0.243
  395   1HG   PRO  50          2HG       PRO  50  -1.122 -13.117   2.105
  396   2HG   PRO  50          1HG       PRO  50  -0.155 -13.136   0.624
  397   1HD   PRO  50          2HD       PRO  50  -2.779 -11.961   1.077
  398   2HD   PRO  50          1HD       PRO  50  -1.690 -11.757  -0.303
  399    H    LYS  51           HN       LYS  51  -3.520 -13.742   2.269
  400    HA   LYS  51           HA       LYS  51  -5.896 -15.531   2.559
  401   1HB   LYS  51          2HB       LYS  51  -3.840 -14.797   4.658
  402   2HB   LYS  51          1HB       LYS  51  -5.412 -15.495   5.049
  403   1HG   LYS  51          2HG       LYS  51  -4.890 -17.550   4.117
  404   2HG   LYS  51          1HG       LYS  51  -3.735 -16.857   2.979
  405   1HD   LYS  51          2HD       LYS  51  -2.883 -16.377   5.710
  406   2HD   LYS  51          1HD       LYS  51  -3.144 -18.099   5.435
  407   1HE   LYS  51          2HE       LYS  51  -1.339 -18.262   4.079
  408   2HE   LYS  51          1HE       LYS  51  -1.761 -16.789   3.206
  409   1HZ   LYS  51          1HE       LYS  51  -0.545 -16.819   5.912
  410   2HZ   LYS  51          2HE       LYS  51  -0.796 -15.467   4.914
  411   3HZ   LYS  51          3HE       LYS  51   0.345 -16.649   4.478
  412    H    ARG  52           HN       ARG  52  -7.444 -13.994   2.085
  413    HA   ARG  52           HA       ARG  52  -7.493 -11.602   3.876
  414   1HB   ARG  52          2HB       ARG  52  -8.875 -10.605   1.836
  415   2HB   ARG  52          1HB       ARG  52  -7.118 -10.510   1.872
  416   1HG   ARG  52          2HG       ARG  52  -7.227 -11.468  -0.182
  417   2HG   ARG  52          1HG       ARG  52  -7.523 -12.967   0.686
  418   1HD   ARG  52          2HD       ARG  52  -9.962 -12.534   0.568
  419   2HD   ARG  52          1HD       ARG  52  -9.634 -11.065  -0.349
  420    HE   ARG  52           HE       ARG  52  -8.344 -13.047  -1.792
  421   1HH1  ARG  52          1HH1      ARG  52 -11.559 -12.540  -0.584
  422   2HH1  ARG  52          2HH1      ARG  52 -12.307 -13.422  -1.871
  423   1HH2  ARG  52          1HH2      ARG  52  -9.327 -14.191  -3.459
  424   2HH2  ARG  52          2HH2      ARG  52 -11.051 -14.352  -3.491
  425    HA   PRO  53           HA       PRO  53  -8.989  -9.841   3.874
  426   1HB   PRO  53          2HB       PRO  53 -10.591  -9.151   6.075
  427   2HB   PRO  53          1HB       PRO  53 -10.905  -8.748   4.382
  428   1HG   PRO  53          2HG       PRO  53 -12.362 -10.541   6.062
  429   2HG   PRO  53          1HG       PRO  53 -12.667 -10.139   4.367
  430   1HD   PRO  53          2HD       PRO  53 -11.441 -12.540   5.495
  431   2HD   PRO  53          1HD       PRO  53 -12.048 -12.257   3.855
  432    H    LEU  54           HN       LEU  54  -8.052  -8.660   5.837
  433    HA   LEU  54           HA       LEU  54  -6.367 -10.503   7.322
  434   1HB   LEU  54          2HB       LEU  54  -6.731  -7.503   7.404
  435   2HB   LEU  54          1HB       LEU  54  -5.597  -8.348   8.458
  436    HG   LEU  54           HG       LEU  54  -5.563  -8.752   5.469
  437   1HD1  LEU  54          1HD1      LEU  54  -5.250  -6.275   6.490
  438   2HD1  LEU  54          2HD1      LEU  54  -4.315  -6.860   5.115
  439   3HD1  LEU  54          3HD1      LEU  54  -3.615  -6.890   6.732
  440   1HD2  LEU  54          1HD2      LEU  54  -3.384  -8.952   7.570
  441   2HD2  LEU  54          2HD2      LEU  54  -3.292  -9.487   5.892
  442   3HD2  LEU  54          3HD2      LEU  54  -4.351 -10.324   7.027
  443    HA   PRO  55           HA       PRO  55  -8.569 -11.127  11.088
  444   1HB   PRO  55          2HB       PRO  55  -6.346 -10.604  12.820
  445   2HB   PRO  55          1HB       PRO  55  -6.980 -12.169  12.297
  446   1HG   PRO  55          2HG       PRO  55  -4.540 -10.947  11.530
  447   2HG   PRO  55          1HG       PRO  55  -5.228 -12.460  10.930
  448   1HD   PRO  55          2HD       PRO  55  -5.038  -9.908   9.583
  449   2HD   PRO  55          1HD       PRO  55  -5.573 -11.465   8.937
  450    H    GLU  56           HN       GLU  56  -9.982  -9.479  11.505
  451    HA   GLU  56           HA       GLU  56 -10.830  -7.479  12.409
  452   1HB   GLU  56          2HB       GLU  56  -8.358  -7.904  14.101
  453   2HB   GLU  56          1HB       GLU  56  -9.524  -6.618  14.414
  454   1HG   GLU  56          HG2       GLU  56 -11.112  -8.064  15.188
  455   2HG   GLU  56          HG1       GLU  56 -10.685  -9.315  14.020
  456    H    ARG  57           HN       ARG  57  -9.716  -6.952  10.052
  457    HA   ARG  57           HA       ARG  57  -8.327  -4.353  10.508
  458   1HB   ARG  57          2HB       ARG  57  -7.420  -6.652   8.840
  459   2HB   ARG  57          1HB       ARG  57  -7.181  -5.032   8.185
  460   1HG   ARG  57          2HG       ARG  57  -5.284  -5.007   9.424
  461   2HG   ARG  57          1HG       ARG  57  -6.355  -4.733  10.798
  462   1HD   ARG  57          2HD       ARG  57  -6.516  -7.452  10.527
  463   2HD   ARG  57          1HD       ARG  57  -4.848  -7.154  10.043
  464    HE   ARG  57           HE       ARG  57  -5.491  -5.720  12.465
  465   1HH1  ARG  57          1HH2      ARG  57  -4.705  -8.839  11.169
  466   2HH1  ARG  57          2HH2      ARG  57  -3.981  -9.397  12.637
  467   1HH2  ARG  57          1HH1      ARG  57  -4.549  -6.455  14.370
  468   2HH2  ARG  57          2HH1      ARG  57  -3.893  -8.056  14.441
  469    H    THR  58           HN       THR  58  -9.049  -2.711   9.158
  470    HA   THR  58           HA       THR  58 -11.510  -3.227   7.665
  471    HB   THR  58           HB       THR  58  -9.972  -0.636   7.615
  472    HG1  THR  58           HG1      THR  58 -11.733  -1.486   9.662
  473   1HG2  THR  58          1HG2      THR  58 -12.594  -1.565   6.838
  474   2HG2  THR  58          2HG2      THR  58 -11.850   0.010   6.562
  475   3HG2  THR  58          3HG2      THR  58 -12.737  -0.297   8.055
  476    H    ASN  59           HN       ASN  59 -11.457  -3.968   5.603
  477    HA   ASN  59           HA       ASN  59  -9.193  -3.079   3.858
  478   1HB   ASN  59          2HB       ASN  59 -10.440  -5.777   4.251
  479   2HB   ASN  59          1HB       ASN  59  -9.811  -5.358   2.657
  480   1HD2  ASN  59          1HD2      ASN  59  -8.833  -5.496   6.115
  481   2HD2  ASN  59          2HD2      ASN  59  -7.187  -5.757   5.795
  482    H    VAL  60           HN       VAL  60  -9.804  -2.132   1.957
  483    HA   VAL  60           HA       VAL  60 -12.686  -2.345   1.165
  484    HB   VAL  60           HB       VAL  60 -10.850   0.018   0.678
  485   1HG1  VAL  60          1HG1      VAL  60 -13.272   1.055   0.512
  486   2HG1  VAL  60          2HG1      VAL  60 -13.741  -0.614   0.187
  487   3HG1  VAL  60          3HG1      VAL  60 -12.581   0.197  -0.864
  488   1HG2  VAL  60          1HG2      VAL  60 -12.877  -0.469   2.882
  489   2HG2  VAL  60          2HG2      VAL  60 -12.196   1.112   2.503
  490   3HG2  VAL  60          3HG2      VAL  60 -11.148  -0.186   3.075
  491    H    VAL  61           HN       VAL  61 -13.036  -2.964  -0.981
  492    HA   VAL  61           HA       VAL  61 -10.591  -3.378  -2.631
  493    HB   VAL  61           HB       VAL  61 -13.352  -4.492  -3.165
  494   1HG1  VAL  61          1HG1      VAL  61 -12.180  -6.090  -4.512
  495   2HG1  VAL  61          2HG1      VAL  61 -10.619  -5.586  -3.866
  496   3HG1  VAL  61          3HG1      VAL  61 -11.522  -4.509  -4.930
  497   1HG2  VAL  61          1HG2      VAL  61 -13.097  -5.592  -1.182
  498   2HG2  VAL  61          2HG2      VAL  61 -11.369  -5.248  -1.101
  499   3HG2  VAL  61          3HG2      VAL  61 -11.958  -6.583  -2.092
  500    H    LEU  62           HN       LEU  62 -10.582  -2.652  -4.821
  501    HA   LEU  62           HA       LEU  62 -12.716  -0.659  -5.475
  502   1HB   LEU  62          2HB       LEU  62  -9.809  -0.376  -5.372
  503   2HB   LEU  62          1HB       LEU  62 -10.460   0.072  -6.950
  504    HG   LEU  62           HG       LEU  62 -12.194   1.461  -5.700
  505   1HD1  LEU  62          1HD1      LEU  62 -11.937   0.385  -3.508
  506   2HD1  LEU  62          2HD1      LEU  62 -11.574   2.107  -3.388
  507   3HD1  LEU  62          3HD1      LEU  62 -10.261   0.929  -3.423
  508   1HD2  LEU  62          1HD2      LEU  62 -10.838   3.213  -6.149
  509   2HD2  LEU  62          2HD2      LEU  62  -9.561   2.043  -6.477
  510   3HD2  LEU  62          3HD2      LEU  62  -9.716   2.751  -4.870
  511    H    THR  63           HN       THR  63 -13.766  -1.077  -7.350
  512    HA   THR  63           HA       THR  63 -12.391  -2.646  -9.468
  513    HB   THR  63           HB       THR  63 -13.480  -4.357  -8.131
  514    HG1  THR  63           HG1      THR  63 -13.662  -4.444 -10.443
  515   1HG2  THR  63          1HG2      THR  63 -15.857  -4.279  -7.625
  516   2HG2  THR  63          2HG2      THR  63 -16.032  -2.775  -8.527
  517   3HG2  THR  63          3HG2      THR  63 -15.099  -2.802  -7.031
  518    H    HIS  64           HN       HIS  64 -13.542  -2.590 -11.526
  519    HA   HIS  64           HA       HIS  64 -15.023  -0.050 -11.877
  520   1HB   HIS  64          2HB       HIS  64 -13.597  -1.967 -13.697
  521   2HB   HIS  64          1HB       HIS  64 -14.812  -0.884 -14.373
  522    HD1  HIS  64           HD1      HIS  64 -13.573   1.022 -15.400
  523    HD2  HIS  64           HD2      HIS  64 -11.964  -0.043 -11.706
  524    HE1  HIS  64           HE1      HIS  64 -11.743   2.702 -14.906
  525    H    GLN  65           HN       GLN  65 -15.827  -3.198 -11.185
  526    HA   GLN  65           HA       GLN  65 -18.110  -3.452 -13.007
  527   1HB   GLN  65          2HB       GLN  65 -17.031  -5.075 -10.707
  528   2HB   GLN  65          1HB       GLN  65 -18.624  -5.416 -11.383
  529   1HG   GLN  65          2HG       GLN  65 -17.004  -6.821 -12.516
  530   2HG   GLN  65          1HG       GLN  65 -17.555  -5.587 -13.650
  531   1HE2  GLN  65          1HE2      GLN  65 -14.868  -6.320 -11.377
  532   2HE2  GLN  65          2HE2      GLN  65 -13.709  -5.401 -12.209
  533    H    GLU  66           HN       GLU  66 -20.304  -3.988 -11.847
  534    HA   GLU  66           HA       GLU  66 -20.747  -1.896  -9.754
  535   1HB   GLU  66          2HB       GLU  66 -21.826  -1.860 -12.226
  536   2HB   GLU  66          1HB       GLU  66 -23.032  -2.849 -11.403
  537   1HG   GLU  66          HG2       GLU  66 -23.694  -1.135 -10.013
  538   2HG   GLU  66          HG1       GLU  66 -22.099  -0.381 -10.009
  539    H    ASP  67           HN       ASP  67 -20.979  -5.246 -10.510
  540    HA   ASP  67           HA       ASP  67 -22.822  -5.663  -8.197
  541   1HB   ASP  67          2HB       ASP  67 -22.930  -6.709 -10.773
  542   2HB   ASP  67          1HB       ASP  67 -22.241  -8.025  -9.822
  543    H    TYR  68           HN       TYR  68 -19.890  -5.146  -8.015
  544    HA   TYR  68           HA       TYR  68 -18.438  -7.552  -7.535
  545   1HB   TYR  68          2HB       TYR  68 -17.628  -5.064  -7.579
  546   2HB   TYR  68          1HB       TYR  68 -18.026  -5.082  -5.862
  547    HD1  TYR  68           HD1      TYR  68 -15.997  -6.778  -8.485
  548    HD2  TYR  68           HD2      TYR  68 -16.624  -6.178  -4.278
  549    HE1  TYR  68           HE1      TYR  68 -13.866  -7.948  -8.000
  550    HE2  TYR  68           HE2      TYR  68 -14.492  -7.347  -3.794
  551    HH   TYR  68           HH       TYR  68 -12.134  -7.772  -5.796
  552    H    GLN  69           HN       GLN  69 -18.960  -9.120  -6.080
  553    HA   GLN  69           HA       GLN  69 -20.549  -8.342  -3.684
  554   1HB   GLN  69          2HB       GLN  69 -20.073 -11.030  -5.000
  555   2HB   GLN  69          1HB       GLN  69 -20.990 -10.807  -3.510
  556   1HG   GLN  69          2HG       GLN  69 -21.679  -9.255  -6.002
  557   2HG   GLN  69          1HG       GLN  69 -22.314 -10.880  -5.737
  558   1HE2  GLN  69          1HE2      GLN  69 -22.740  -7.550  -4.925
  559   2HE2  GLN  69          2HE2      GLN  69 -23.935  -7.766  -3.739
  560    H    ALA  70           HN       ALA  70 -19.212  -7.874  -1.997
  561    HA   ALA  70           HA       ALA  70 -17.183  -9.919  -1.257
  562   1HB   ALA  70          1HB       ALA  70 -16.449  -7.053  -0.853
  563   2HB   ALA  70          2HB       ALA  70 -16.306  -7.707  -2.485
  564   3HB   ALA  70          3HB       ALA  70 -15.410  -8.445  -1.157
  565    H    GLN  71           HN       GLN  71 -18.885 -10.453   0.319
  566    HA   GLN  71           HA       GLN  71 -19.757  -8.491   2.267
  567   1HB   GLN  71          2HB       GLN  71 -19.870 -11.514   2.177
  568   2HB   GLN  71          1HB       GLN  71 -20.505 -10.581   3.533
  569   1HG   GLN  71          2HG       GLN  71 -22.425 -10.508   2.322
  570   2HG   GLN  71          1HG       GLN  71 -21.602  -9.259   1.388
  571   1HE2  GLN  71          1HE2      GLN  71 -21.785 -12.868   1.501
  572   2HE2  GLN  71          2HE2      GLN  71 -21.754 -13.064  -0.185
  573    H    GLY  72           HN       GLY  72 -18.820  -7.960   4.203
  574   1HA   GLY  72          2HA       GLY  72 -17.458  -8.526   6.161
  575   2HA   GLY  72          1HA       GLY  72 -16.505  -9.597   5.131
  576    H    ALA  73           HN       ALA  73 -16.241  -7.771   2.918
  577    HA   ALA  73           HA       ALA  73 -14.432  -5.749   4.170
  578   1HB   ALA  73          1HB       ALA  73 -12.903  -6.054   2.415
  579   2HB   ALA  73          2HB       ALA  73 -14.122  -6.757   1.351
  580   3HB   ALA  73          3HB       ALA  73 -13.487  -7.693   2.704
  581    H    VAL  74           HN       VAL  74 -14.484  -3.667   3.362
  582    HA   VAL  74           HA       VAL  74 -16.945  -2.639   2.364
  583    HB   VAL  74           HB       VAL  74 -14.254  -1.323   1.940
  584   1HG1  VAL  74          1HG1      VAL  74 -15.951   0.633   2.678
  585   2HG1  VAL  74          2HG1      VAL  74 -17.110  -0.482   1.954
  586   3HG1  VAL  74          3HG1      VAL  74 -15.761   0.132   0.998
  587   1HG2  VAL  74          1HG2      VAL  74 -15.891  -1.703   4.443
  588   2HG2  VAL  74          2HG2      VAL  74 -14.864  -0.282   4.252
  589   3HG2  VAL  74          3HG2      VAL  74 -14.152  -1.895   4.222
  590    H    VAL  75           HN       VAL  75 -17.351  -1.650   0.179
  591    HA   VAL  75           HA       VAL  75 -15.640  -2.691  -2.000
  592    HB   VAL  75           HB       VAL  75 -18.636  -3.176  -1.872
  593   1HG1  VAL  75          1HG1      VAL  75 -18.087  -2.981  -4.146
  594   2HG1  VAL  75          2HG1      VAL  75 -17.918  -4.713  -3.858
  595   3HG1  VAL  75          3HG1      VAL  75 -16.486  -3.685  -3.918
  596   1HG2  VAL  75          1HG2      VAL  75 -16.250  -4.941  -1.331
  597   2HG2  VAL  75          2HG2      VAL  75 -17.777  -5.626  -1.884
  598   3HG2  VAL  75          3HG2      VAL  75 -17.709  -4.739  -0.361
  599    H    VAL  76           HN       VAL  76 -15.410  -1.064  -3.497
  600    HA   VAL  76           HA       VAL  76 -17.636   0.864  -3.857
  601    HB   VAL  76           HB       VAL  76 -15.970   2.760  -3.749
  602   1HG1  VAL  76          1HG1      VAL  76 -17.453   2.452  -1.883
  603   2HG1  VAL  76          2HG1      VAL  76 -15.841   2.709  -1.214
  604   3HG1  VAL  76          3HG1      VAL  76 -16.516   1.082  -1.288
  605   1HG2  VAL  76          1HG2      VAL  76 -14.058   1.622  -2.015
  606   2HG2  VAL  76          2HG2      VAL  76 -13.786   2.198  -3.659
  607   3HG2  VAL  76          3HG2      VAL  76 -14.182   0.504  -3.374
  608    H    HIS  77           HN       HIS  77 -17.304   2.207  -5.824
  609    HA   HIS  77           HA       HIS  77 -15.363   1.027  -7.759
  610   1HB   HIS  77          2HB       HIS  77 -18.165   1.766  -8.599
  611   2HB   HIS  77          1HB       HIS  77 -17.002   0.740  -9.435
  612    HD1  HIS  77           HD1      HIS  77 -16.220  -1.181  -7.182
  613    HD2  HIS  77           HD2      HIS  77 -20.158  -0.054  -7.947
  614    HE1  HIS  77           HE1      HIS  77 -17.688  -3.005  -6.214
  615    H    ASP  78           HN       ASP  78 -15.427   3.553  -6.189
  616    HA   ASP  78           HA       ASP  78 -14.776   5.361  -8.356
  617   1HB   ASP  78          2HB       ASP  78 -17.430   5.321  -7.944
  618   2HB   ASP  78          1HB       ASP  78 -16.979   6.473  -6.687
  619    H    VAL  79           HN       VAL  79 -12.941   6.142  -7.453
  620    HA   VAL  79           HA       VAL  79 -12.091   6.222  -4.848
  621    HB   VAL  79           HB       VAL  79 -11.682   8.350  -6.967
  622   1HG1  VAL  79          1HG1      VAL  79  -9.475   8.531  -5.454
  623   2HG1  VAL  79          2HG1      VAL  79 -10.617   8.042  -4.201
  624   3HG1  VAL  79          3HG1      VAL  79 -10.908   9.508  -5.136
  625   1HG2  VAL  79          1HG2      VAL  79  -9.511   6.500  -6.215
  626   2HG2  VAL  79          2HG2      VAL  79 -10.058   7.001  -7.814
  627   3HG2  VAL  79          3HG2      VAL  79 -10.905   5.714  -6.957
  628    H    ALA  80           HN       ALA  80 -14.384   8.475  -6.314
  629    HA   ALA  80           HA       ALA  80 -14.430  10.448  -4.270
  630   1HB   ALA  80          1HB       ALA  80 -17.087  10.053  -5.260
  631   2HB   ALA  80          2HB       ALA  80 -15.959   9.807  -6.593
  632   3HB   ALA  80          3HB       ALA  80 -15.939  11.321  -5.690
  633    H    ALA  81           HN       ALA  81 -16.233   7.392  -4.567
  634    HA   ALA  81           HA       ALA  81 -17.826   7.753  -2.210
  635   1HB   ALA  81          1HB       ALA  81 -16.981   5.346  -3.817
  636   2HB   ALA  81          2HB       ALA  81 -18.581   6.076  -3.686
  637   3HB   ALA  81          3HB       ALA  81 -17.915   5.163  -2.332
  638    H    VAL  82           HN       VAL  82 -14.725   6.032  -2.731
  639    HA   VAL  82           HA       VAL  82 -14.403   5.071  -0.085
  640    HB   VAL  82           HB       VAL  82 -12.115   6.073  -1.789
  641   1HG1  VAL  82          1HG1      VAL  82 -12.200   4.850   0.693
  642   2HG1  VAL  82          2HG1      VAL  82 -10.811   4.858  -0.392
  643   3HG1  VAL  82          3HG1      VAL  82 -11.928   3.494  -0.400
  644   1HG2  VAL  82          1HG2      VAL  82 -12.616   3.293  -2.222
  645   2HG2  VAL  82          2HG2      VAL  82 -12.663   4.601  -3.403
  646   3HG2  VAL  82          3HG2      VAL  82 -14.122   4.158  -2.520
  647    H    PHE  83           HN       PHE  83 -13.467   8.205  -1.497
  648    HA   PHE  83           HA       PHE  83 -12.108   9.247   0.766
  649   1HB   PHE  83          2HB       PHE  83 -13.502  10.417  -1.598
  650   2HB   PHE  83          1HB       PHE  83 -13.146  11.496  -0.249
  651    HD1  PHE  83           HD1      PHE  83 -11.861  10.171  -3.237
  652    HD2  PHE  83           HD2      PHE  83 -10.689  11.163   0.773
  653    HE1  PHE  83           HE1      PHE  83  -9.493  10.317  -3.961
  654    HE2  PHE  83           HE2      PHE  83  -8.324  11.307   0.046
  655    HZ   PHE  83           HZ       PHE  83  -7.728  10.878  -2.320
  656    H    ALA  84           HN       ALA  84 -15.556   9.043   0.036
  657    HA   ALA  84           HA       ALA  84 -16.482  10.810   2.083
  658   1HB   ALA  84          1HB       ALA  84 -17.704   9.412   0.103
  659   2HB   ALA  84          2HB       ALA  84 -18.572  10.126   1.461
  660   3HB   ALA  84          3HB       ALA  84 -18.135   8.418   1.495
  661    H    TYR  85           HN       TYR  85 -16.280   7.226   2.123
  662    HA   TYR  85           HA       TYR  85 -17.055   6.709   4.724
  663   1HB   TYR  85          2HB       TYR  85 -16.089   5.159   2.797
  664   2HB   TYR  85          1HB       TYR  85 -14.606   5.305   3.740
  665    HD1  TYR  85           HD1      TYR  85 -18.271   4.653   4.225
  666    HD2  TYR  85           HD2      TYR  85 -14.255   3.824   5.507
  667    HE1  TYR  85           HE1      TYR  85 -19.132   2.980   5.841
  668    HE2  TYR  85           HE2      TYR  85 -15.116   2.152   7.123
  669    HH   TYR  85           HH       TYR  85 -17.338   0.663   7.218
  670    H    ALA  86           HN       ALA  86 -13.659   7.395   3.770
  671    HA   ALA  86           HA       ALA  86 -12.530   7.354   6.348
  672   1HB   ALA  86          1HB       ALA  86 -10.809   7.669   4.906
  673   2HB   ALA  86          2HB       ALA  86 -11.144   9.388   5.108
  674   3HB   ALA  86          3HB       ALA  86 -11.827   8.511   3.739
  675    H    LYS  87           HN       LYS  87 -14.042  10.096   4.645
  676    HA   LYS  87           HA       LYS  87 -13.610  12.024   6.716
  677   1HB   LYS  87          2HB       LYS  87 -14.368  12.423   4.292
  678   2HB   LYS  87          1HB       LYS  87 -15.988  12.005   4.851
  679   1HG   LYS  87          2HG       LYS  87 -16.092  14.258   5.261
  680   2HG   LYS  87          1HG       LYS  87 -15.312  13.777   6.768
  681   1HD   LYS  87          2HD       LYS  87 -13.288  14.658   6.163
  682   2HD   LYS  87          1HD       LYS  87 -13.502  14.245   4.462
  683   1HE   LYS  87          2HE       LYS  87 -15.181  16.089   4.272
  684   2HE   LYS  87          1HE       LYS  87 -14.820  16.543   5.937
  685   1HZ   LYS  87          1HE       LYS  87 -13.041  17.643   5.254
  686   2HZ   LYS  87          2HE       LYS  87 -13.471  17.319   3.643
  687   3HZ   LYS  87          3HE       LYS  87 -12.419  16.273   4.472
  688    H    GLN  88           HN       GLN  88 -15.954   9.464   6.341
  689    HA   GLN  88           HA       GLN  88 -17.715  10.567   8.424
  690   1HB   GLN  88          2HB       GLN  88 -17.776   8.118   6.679
  691   2HB   GLN  88          1HB       GLN  88 -18.857   8.260   8.066
  692   1HG   GLN  88          2HG       GLN  88 -19.905  10.202   7.192
  693   2HG   GLN  88          1HG       GLN  88 -18.622  10.458   6.009
  694   1HE2  GLN  88          1HE2      GLN  88 -18.350   8.375   4.483
  695   2HE2  GLN  88          2HE2      GLN  88 -19.806   7.737   3.888
  696    H    HIS  89           HN       HIS  89 -15.304   7.935   8.148
  697    HA   HIS  89           HA       HIS  89 -15.909   7.046  10.884
  698   1HB   HIS  89          2HB       HIS  89 -14.225   6.099   8.619
  699   2HB   HIS  89          1HB       HIS  89 -13.702   5.656  10.244
  700    HD1  HIS  89           HD1      HIS  89 -14.874   3.711  11.297
  701    HD2  HIS  89           HD2      HIS  89 -17.059   5.298   8.121
  702    HE1  HIS  89           HE1      HIS  89 -16.862   2.180  10.960
  703    HA   PRO  90           HA       PRO  90 -12.736   9.883  12.453
  704   1HB   PRO  90          2HB       PRO  90 -13.693   9.740  15.047
  705   2HB   PRO  90          1HB       PRO  90 -14.267  10.880  13.820
  706   1HG   PRO  90          2HG       PRO  90 -15.672   8.659  15.003
  707   2HG   PRO  90          1HG       PRO  90 -16.278   9.874  13.868
  708   1HD   PRO  90          2HD       PRO  90 -15.446   7.120  13.340
  709   2HD   PRO  90          1HD       PRO  90 -16.345   8.239  12.300
  710    H    ASP  91           HN       ASP  91 -12.939   6.638  12.623
  711    HA   ASP  91           HA       ASP  91 -10.621   6.458  14.494
  712   1HB   ASP  91          2HB       ASP  91 -13.237   5.194  14.767
  713   2HB   ASP  91          1HB       ASP  91 -11.939   4.002  14.719
  714    H    GLN  92           HN       GLN  92 -11.504   6.212  11.421
  715    HA   GLN  92           HA       GLN  92  -9.464   4.153  10.822
  716   1HB   GLN  92          2HB       GLN  92 -12.224   3.589  10.675
  717   2HB   GLN  92          1HB       GLN  92 -11.733   3.903   9.012
  718   1HG   GLN  92          2HG       GLN  92 -10.769   1.877   8.900
  719   2HG   GLN  92          1HG       GLN  92  -9.714   2.294  10.247
  720   1HE2  GLN  92          1HE2      GLN  92 -13.052   1.113   9.590
  721   2HE2  GLN  92          2HE2      GLN  92 -13.169   0.198  11.015
  722    H    GLU  93           HN       GLU  93  -8.052   5.509   9.619
  723    HA   GLU  93           HA       GLU  93  -9.222   7.642   7.992
  724   1HB   GLU  93          2HB       GLU  93  -6.470   6.809   8.833
  725   2HB   GLU  93          1HB       GLU  93  -6.641   7.839   7.414
  726   1HG   GLU  93          HG2       GLU  93  -8.086   9.372   8.820
  727   2HG   GLU  93          HG1       GLU  93  -7.613   8.411  10.222
  728    H    LEU  94           HN       LEU  94  -7.510   7.689   5.830
  729    HA   LEU  94           HA       LEU  94  -8.414   5.281   4.322
  730   1HB   LEU  94          2HB       LEU  94  -8.953   7.819   3.717
  731   2HB   LEU  94          1HB       LEU  94  -7.371   7.721   2.950
  732    HG   LEU  94           HG       LEU  94  -8.313   5.476   1.951
  733   1HD1  LEU  94          1HD1      LEU  94 -10.720   6.920   2.998
  734   2HD1  LEU  94          2HD1      LEU  94 -10.397   5.188   2.933
  735   3HD1  LEU  94          3HD1      LEU  94 -10.855   6.055   1.468
  736   1HD2  LEU  94          1HD2      LEU  94  -9.585   7.106   0.219
  737   2HD2  LEU  94          2HD2      LEU  94  -7.827   7.017   0.313
  738   3HD2  LEU  94          3HD2      LEU  94  -8.688   8.317   1.135
  739    H    VAL  95           HN       VAL  95  -6.854   3.811   3.882
  740    HA   VAL  95           HA       VAL  95  -4.039   4.787   3.559
  741    HB   VAL  95           HB       VAL  95  -4.927   2.063   4.568
  742   1HG1  VAL  95          1HG1      VAL  95  -2.621   2.631   3.288
  743   2HG1  VAL  95          2HG1      VAL  95  -2.714   1.463   4.605
  744   3HG1  VAL  95          3HG1      VAL  95  -2.166   3.108   4.923
  745   1HG2  VAL  95          1HG2      VAL  95  -3.491   3.283   6.580
  746   2HG2  VAL  95          2HG2      VAL  95  -5.251   3.197   6.511
  747   3HG2  VAL  95          3HG2      VAL  95  -4.415   4.631   5.916
  748    H    ILE  96           HN       ILE  96  -3.231   4.415   1.543
  749    HA   ILE  96           HA       ILE  96  -4.844   2.738  -0.289
  750    HB   ILE  96           HB       ILE  96  -2.478   4.469  -0.984
  751   1HG1  ILE  96          2HG1      ILE  96  -4.082   5.898   0.151
  752   2HG1  ILE  96          1HG1      ILE  96  -4.188   6.202  -1.584
  753   1HG2  ILE  96          1HG2      ILE  96  -4.400   2.828  -2.448
  754   2HG2  ILE  96          2HG2      ILE  96  -2.860   3.497  -2.983
  755   3HG2  ILE  96          3HG2      ILE  96  -4.321   4.482  -3.054
  756   1HD1  ILE  96          1HD1      ILE  96  -6.112   4.627  -1.710
  757   2HD1  ILE  96          2HD1      ILE  96  -6.439   6.001  -0.652
  758   3HD1  ILE  96          3HD1      ILE  96  -6.036   4.430   0.040
  759    H    ALA  97           HN       ALA  97  -4.199   0.583  -0.008
  760    HA   ALA  97           HA       ALA  97  -1.344  -0.055   0.184
  761   1HB   ALA  97          1HB       ALA  97  -2.466  -2.465  -0.077
  762   2HB   ALA  97          2HB       ALA  97  -3.921  -1.562   0.347
  763   3HB   ALA  97          3HB       ALA  97  -2.542  -1.577   1.445
  764    H    GLY  98           HN       GLY  98  -3.136   0.901  -2.357
  765   1HA   GLY  98          2HA       GLY  98  -2.318   0.884  -4.611
  766   2HA   GLY  98          1HA       GLY  98  -1.418  -0.587  -4.250
  767    H    GLY  99           HN       GLY  99  -3.923  -2.198  -6.189
  768   1HA   GLY  99          2HA       GLY  99  -1.131  -1.892  -5.609
  769   2HA   GLY  99          1HA       GLY  99  -1.811  -2.470  -7.123
  770    H    ALA 100           HN       ALA 100  -0.516  -1.304  -8.506
  771    HA   ALA 100           HA       ALA 100   0.258   1.420  -8.218
  772   1HB   ALA 100          1HB       ALA 100   1.515   0.722  -9.949
  773   2HB   ALA 100          2HB       ALA 100   0.097   0.918 -10.979
  774   3HB   ALA 100          3HB       ALA 100   0.443  -0.646 -10.242
  775    H    GLN 101           HN       GLN 101  -2.493  -0.007  -9.974
  776    HA   GLN 101           HA       GLN 101  -3.473   2.344 -11.166
  777   1HB   GLN 101          2HB       GLN 101  -4.517  -0.299 -10.523
  778   2HB   GLN 101          1HB       GLN 101  -5.765   0.940 -10.386
  779   1HG   GLN 101          2HG       GLN 101  -5.805   1.316 -12.624
  780   2HG   GLN 101          1HG       GLN 101  -4.048   1.244 -12.759
  781   1HE2  GLN 101          1HE2      GLN 101  -3.132  -1.110 -12.498
  782   2HE2  GLN 101          2HE2      GLN 101  -4.026  -2.349 -13.239
  783    H    ILE 102           HN       ILE 102  -4.008   1.151  -7.821
  784    HA   ILE 102           HA       ILE 102  -5.856   3.309  -7.231
  785    HB   ILE 102           HB       ILE 102  -4.336   1.633  -5.225
  786   1HG1  ILE 102          2HG1      ILE 102  -5.366   0.137  -6.904
  787   2HG1  ILE 102          1HG1      ILE 102  -6.214   0.027  -5.364
  788   1HG2  ILE 102          1HG2      ILE 102  -7.160   2.315  -4.782
  789   2HG2  ILE 102          2HG2      ILE 102  -6.110   3.727  -4.905
  790   3HG2  ILE 102          3HG2      ILE 102  -5.779   2.483  -3.700
  791   1HD1  ILE 102          1HD1      ILE 102  -7.343   0.615  -7.876
  792   2HD1  ILE 102          2HD1      ILE 102  -7.361   2.135  -6.983
  793   3HD1  ILE 102          3HD1      ILE 102  -8.139   0.706  -6.306
  794    H    PHE 103           HN       PHE 103  -2.350   2.972  -7.108
  795    HA   PHE 103           HA       PHE 103  -1.954   5.142  -5.227
  796   1HB   PHE 103          2HB       PHE 103  -0.156   3.788  -7.252
  797   2HB   PHE 103          1HB       PHE 103   0.395   5.114  -6.235
  798    HD1  PHE 103           HD1      PHE 103   0.881   1.850  -6.451
  799    HD2  PHE 103           HD2      PHE 103  -0.912   4.586  -3.665
  800    HE1  PHE 103           HE1      PHE 103   1.324   0.258  -4.604
  801    HE2  PHE 103           HE2      PHE 103  -0.463   2.996  -1.822
  802    HZ   PHE 103           HZ       PHE 103   0.651   0.830  -2.287
  803    H    THR 104           HN       THR 104  -2.568   4.918  -8.655
  804    HA   THR 104           HA       THR 104  -1.555   7.581  -9.276
  805    HB   THR 104           HB       THR 104  -3.546   6.125 -10.988
  806    HG1  THR 104           HG1      THR 104  -0.926   5.353 -10.339
  807   1HG2  THR 104          1HG2      THR 104  -2.723   8.290 -11.743
  808   2HG2  THR 104          2HG2      THR 104  -2.050   7.023 -12.768
  809   3HG2  THR 104          3HG2      THR 104  -1.055   7.766 -11.516
  810    H    ALA 105           HN       ALA 105  -4.841   6.152  -9.039
  811    HA   ALA 105           HA       ALA 105  -6.237   8.603  -9.448
  812   1HB   ALA 105          1HB       ALA 105  -6.985   6.079  -7.957
  813   2HB   ALA 105          2HB       ALA 105  -7.486   6.569  -9.576
  814   3HB   ALA 105          3HB       ALA 105  -8.104   7.427  -8.164
  815    H    PHE 106           HN       PHE 106  -4.707   7.273  -6.582
  816    HA   PHE 106           HA       PHE 106  -5.901   9.412  -4.904
  817   1HB   PHE 106          2HB       PHE 106  -4.289   6.935  -4.285
  818   2HB   PHE 106          1HB       PHE 106  -4.636   8.158  -3.064
  819    HD1  PHE 106           HD1      PHE 106  -6.770   8.304  -2.035
  820    HD2  PHE 106           HD2      PHE 106  -6.219   5.794  -5.469
  821    HE1  PHE 106           HE1      PHE 106  -9.009   7.312  -1.670
  822    HE2  PHE 106           HE2      PHE 106  -8.457   4.799  -5.105
  823    HZ   PHE 106           HZ       PHE 106  -9.853   5.558  -3.204
  824    H    LYS 107           HN       LYS 107  -3.145   9.071  -6.825
  825    HA   LYS 107           HA       LYS 107  -1.060  10.018  -5.206
  826   1HB   LYS 107          2HB       LYS 107   0.031  10.745  -7.238
  827   2HB   LYS 107          1HB       LYS 107  -0.825   9.242  -7.564
  828   1HG   LYS 107          2HG       LYS 107  -1.826  10.284  -9.285
  829   2HG   LYS 107          1HG       LYS 107  -2.700  11.254  -8.107
  830   1HD   LYS 107          2HD       LYS 107  -0.248  12.507  -8.169
  831   2HD   LYS 107          1HD       LYS 107  -0.445  11.998  -9.845
  832   1HE   LYS 107          2HE       LYS 107  -2.513  13.545  -8.258
  833   2HE   LYS 107          1HE       LYS 107  -1.401  14.260  -9.422
  834   1HZ   LYS 107          1HE       LYS 107  -2.546  13.441 -11.153
  835   2HZ   LYS 107          2HE       LYS 107  -3.832  13.373 -10.046
  836   3HZ   LYS 107          3HE       LYS 107  -2.919  11.980 -10.377
  837    H    ASP 108           HN       ASP 108  -3.582  11.994  -6.850
  838    HA   ASP 108           HA       ASP 108  -2.392  14.508  -6.143
  839   1HB   ASP 108          2HB       ASP 108  -4.420  13.803  -7.772
  840   2HB   ASP 108          1HB       ASP 108  -5.350  14.332  -6.370
  841    H    ASP 109           HN       ASP 109  -4.730  12.419  -4.489
  842    HA   ASP 109           HA       ASP 109  -4.845  14.361  -2.238
  843   1HB   ASP 109          2HB       ASP 109  -6.604  12.187  -3.252
  844   2HB   ASP 109          1HB       ASP 109  -6.564  12.415  -1.503
  845    H    VAL 110           HN       VAL 110  -2.736  13.902  -1.344
  846    HA   VAL 110           HA       VAL 110  -2.537  11.184  -0.109
  847    HB   VAL 110           HB       VAL 110  -0.242  12.961  -0.981
  848   1HG1  VAL 110          1HG1      VAL 110   0.874  10.578  -0.672
  849   2HG1  VAL 110          2HG1      VAL 110  -0.492  10.325   0.415
  850   3HG1  VAL 110          3HG1      VAL 110   0.637  11.646   0.711
  851   1HG2  VAL 110          1HG2      VAL 110  -0.337  10.462  -2.372
  852   2HG2  VAL 110          2HG2      VAL 110  -0.459  12.087  -3.041
  853   3HG2  VAL 110          3HG2      VAL 110  -1.916  11.232  -2.531
  854    H    ASP 111           HN       ASP 111  -1.814  11.134   2.057
  855    HA   ASP 111           HA       ASP 111  -1.441  13.787   3.378
  856   1HB   ASP 111          2HB       ASP 111  -3.672  12.147   3.690
  857   2HB   ASP 111          1HB       ASP 111  -2.673  11.759   5.091
  858    H    THR 112           HN       THR 112  -0.786  10.312   3.381
  859    HA   THR 112           HA       THR 112   1.719  10.857   4.886
  860    HB   THR 112           HB       THR 112  -0.079   8.537   5.613
  861    HG1  THR 112           HG1      THR 112  -1.241  10.151   6.375
  862   1HG2  THR 112          1HG2      THR 112   2.496   8.671   6.073
  863   2HG2  THR 112          2HG2      THR 112   1.412   8.157   7.365
  864   3HG2  THR 112          3HG2      THR 112   2.024   9.811   7.334
  865    H    LEU 113           HN       LEU 113   3.420   9.619   4.158
  866    HA   LEU 113           HA       LEU 113   2.768   7.531   2.107
  867   1HB   LEU 113          2HB       LEU 113   5.253   9.261   2.250
  868   2HB   LEU 113          1HB       LEU 113   4.862   8.098   0.986
  869    HG   LEU 113           HG       LEU 113   2.888  10.266   1.603
  870   1HD1  LEU 113          1HD1      LEU 113   4.016  11.891   0.332
  871   2HD1  LEU 113          2HD1      LEU 113   5.110  10.707  -0.382
  872   3HD1  LEU 113          3HD1      LEU 113   5.310  11.188   1.302
  873   1HD2  LEU 113          1HD2      LEU 113   3.698   8.567  -0.753
  874   2HD2  LEU 113          2HD2      LEU 113   2.741  10.030  -0.983
  875   3HD2  LEU 113          3HD2      LEU 113   2.113   8.711   0.006
  876    H    LEU 114           HN       LEU 114   3.503   5.503   2.525
  877    HA   LEU 114           HA       LEU 114   5.669   5.182   4.559
  878   1HB   LEU 114          2HB       LEU 114   3.297   3.333   4.148
  879   2HB   LEU 114          1HB       LEU 114   4.542   3.188   5.389
  880    HG   LEU 114           HG       LEU 114   3.028   5.762   5.216
  881   1HD1  LEU 114          1HD1      LEU 114   1.895   3.108   5.999
  882   2HD1  LEU 114          2HD1      LEU 114   1.098   4.489   5.248
  883   3HD1  LEU 114          3HD1      LEU 114   1.464   4.513   6.973
  884   1HD2  LEU 114          1HD2      LEU 114   3.383   5.693   7.649
  885   2HD2  LEU 114          2HD2      LEU 114   4.906   5.429   6.800
  886   3HD2  LEU 114          3HD2      LEU 114   4.049   4.065   7.517
  887    H    VAL 115           HN       VAL 115   7.382   4.533   3.410
  888    HA   VAL 115           HA       VAL 115   6.959   2.420   1.320
  889    HB   VAL 115           HB       VAL 115   7.466   4.633   0.326
  890   1HG1  VAL 115          1HG1      VAL 115  10.122   4.329   1.753
  891   2HG1  VAL 115          2HG1      VAL 115   8.859   5.476   2.201
  892   3HG1  VAL 115          3HG1      VAL 115   9.676   5.627   0.645
  893   1HG2  VAL 115          1HG2      VAL 115   8.130   2.657  -0.909
  894   2HG2  VAL 115          2HG2      VAL 115   9.589   2.485   0.067
  895   3HG2  VAL 115          3HG2      VAL 115   9.428   3.845  -1.045
  896    H    THR 116           HN       THR 116   8.358   0.714   1.268
  897    HA   THR 116           HA       THR 116  10.453   0.620   3.401
  898    HB   THR 116           HB       THR 116   9.496  -1.857   2.020
  899    HG1  THR 116           HG1      THR 116   7.729  -1.966   3.409
  900   1HG2  THR 116          1HG2      THR 116  11.192  -2.216   3.618
  901   2HG2  THR 116          2HG2      THR 116   9.706  -2.625   4.475
  902   3HG2  THR 116          3HG2      THR 116  10.484  -1.067   4.753
  903    H    ARG 117           HN       ARG 117  12.397   1.127   2.428
  904    HA   ARG 117           HA       ARG 117  12.865   0.235  -0.364
  905   1HB   ARG 117          2HB       ARG 117  14.395   2.097   1.468
  906   2HB   ARG 117          1HB       ARG 117  14.943   1.652  -0.148
  907   1HG   ARG 117          2HG       ARG 117  12.171   2.451  -0.254
  908   2HG   ARG 117          1HG       ARG 117  13.117   3.707   0.543
  909   1HD   ARG 117          2HD       ARG 117  14.735   2.973  -1.585
  910   2HD   ARG 117          1HD       ARG 117  13.111   2.881  -2.268
  911    HE   ARG 117           HE       ARG 117  13.635   5.327  -0.740
  912   1HH1  ARG 117          1HH2      ARG 117  13.742   3.728  -3.825
  913   2HH1  ARG 117          2HH2      ARG 117  13.692   5.207  -4.720
  914   1HH2  ARG 117          1HH1      ARG 117  13.579   7.236  -1.918
  915   2HH2  ARG 117          2HH1      ARG 117  13.602   7.182  -3.649
  916    H    LEU 118           HN       LEU 118  13.870  -1.660  -0.692
  917    HA   LEU 118           HA       LEU 118  15.385  -2.944   1.490
  918   1HB   LEU 118          2HB       LEU 118  14.709  -3.873  -1.319
  919   2HB   LEU 118          1HB       LEU 118  15.551  -4.851  -0.116
  920    HG   LEU 118           HG       LEU 118  13.522  -4.343   1.413
  921   1HD1  LEU 118          1HD1      LEU 118  12.597  -3.386  -1.276
  922   2HD1  LEU 118          2HD1      LEU 118  12.306  -2.684   0.315
  923   3HD1  LEU 118          3HD1      LEU 118  11.436  -4.136  -0.179
  924   1HD2  LEU 118          1HD2      LEU 118  13.638  -6.181  -0.953
  925   2HD2  LEU 118          2HD2      LEU 118  12.154  -6.120  -0.002
  926   3HD2  LEU 118          3HD2      LEU 118  13.675  -6.571   0.767
  927    H    ALA 119           HN       ALA 119  17.597  -3.773   1.076
  928    HA   ALA 119           HA       ALA 119  19.205  -1.748  -0.327
  929   1HB   ALA 119          1HB       ALA 119  19.624  -3.195   1.958
  930   2HB   ALA 119          2HB       ALA 119  20.901  -2.395   1.043
  931   3HB   ALA 119          3HB       ALA 119  20.579  -4.110   0.791
  932    H    GLY 120           HN       GLY 120  18.054  -4.994  -0.895
  933   1HA   GLY 120          2HA       GLY 120  20.063  -5.644  -2.905
  934   2HA   GLY 120          1HA       GLY 120  18.574  -6.541  -2.601
  935    H    SER 121           HN       SER 121  19.208  -6.206  -5.212
  936    HA   SER 121           HA       SER 121  17.327  -4.056  -6.104
  937   1HB   SER 121          2HB       SER 121  18.693  -3.682  -8.051
  938   2HB   SER 121          1HB       SER 121  19.760  -3.622  -6.652
  939    HG   SER 121           HG       SER 121  20.770  -4.988  -7.996
  940    H    PHE 122           HN       PHE 122  15.522  -5.030  -6.867
  941    HA   PHE 122           HA       PHE 122  15.813  -7.662  -8.251
  942   1HB   PHE 122          2HB       PHE 122  13.311  -6.477  -7.014
  943   2HB   PHE 122          1HB       PHE 122  13.521  -8.123  -7.618
  944    HD1  PHE 122           HD1      PHE 122  14.512  -9.818  -6.266
  945    HD2  PHE 122           HD2      PHE 122  14.698  -5.707  -5.043
  946    HE1  PHE 122           HE1      PHE 122  15.400 -10.515  -4.057
  947    HE2  PHE 122           HE2      PHE 122  15.582  -6.401  -2.834
  948    HZ   PHE 122           HZ       PHE 122  15.933  -8.805  -2.339
  949    H    GLU 123           HN       GLU 123  14.280  -7.995 -10.096
  950    HA   GLU 123           HA       GLU 123  13.911  -5.430 -11.589
  951   1HB   GLU 123          2HB       GLU 123  14.338  -8.252 -12.609
  952   2HB   GLU 123          1HB       GLU 123  14.000  -6.861 -13.639
  953   1HG   GLU 123          HG2       GLU 123  16.239  -6.540 -13.691
  954   2HG   GLU 123          HG1       GLU 123  16.075  -5.958 -12.034
  955    H    GLY 124           HN       GLY 124  12.003  -5.259 -12.945
  956   1HA   GLY 124          2HA       GLY 124   9.852  -7.166 -12.888
  957   2HA   GLY 124          1HA       GLY 124   9.561  -5.898 -11.696
  958    H    ASP 125           HN       ASP 125   7.678  -5.251 -13.104
  959    HA   ASP 125           HA       ASP 125   8.609  -3.417 -15.245
  960   1HB   ASP 125          2HB       ASP 125   6.401  -5.481 -15.461
  961   2HB   ASP 125          1HB       ASP 125   6.560  -4.120 -16.572
  962    H    THR 126           HN       THR 126   6.652  -4.095 -12.539
  963    HA   THR 126           HA       THR 126   4.993  -1.653 -13.006
  964    HB   THR 126           HB       THR 126   4.504  -3.821 -10.946
  965    HG1  THR 126           HG1      THR 126   3.423  -4.904 -12.415
  966   1HG2  THR 126          1HG2      THR 126   2.349  -2.163 -12.148
  967   2HG2  THR 126          2HG2      THR 126   3.462  -1.339 -11.056
  968   3HG2  THR 126          3HG2      THR 126   2.541  -2.732 -10.490
  969    H    LYS 127           HN       LYS 127   5.641   0.105 -11.853
  970    HA   LYS 127           HA       LYS 127   7.004  -0.379  -9.237
  971   1HB   LYS 127          2HB       LYS 127   7.737   1.738 -11.281
  972   2HB   LYS 127          1HB       LYS 127   8.528   1.476  -9.726
  973   1HG   LYS 127          2HG       LYS 127   9.470  -0.564 -10.403
  974   2HG   LYS 127          1HG       LYS 127   8.307  -0.777 -11.709
  975   1HD   LYS 127          2HD       LYS 127   9.847   0.097 -13.103
  976   2HD   LYS 127          1HD       LYS 127   9.601   1.644 -12.292
  977   1HE   LYS 127          2HE       LYS 127  11.265   0.577 -10.511
  978   2HE   LYS 127          1HE       LYS 127  11.773  -0.376 -11.905
  979   1HZ   LYS 127          1HE       LYS 127  11.903   2.536 -11.502
  980   2HZ   LYS 127          2HE       LYS 127  11.820   1.905 -13.077
  981   3HZ   LYS 127          3HE       LYS 127  13.106   1.476 -12.054
  982    H    MET 128           HN       MET 128   6.943   1.617  -7.828
  983    HA   MET 128           HA       MET 128   4.263   2.538  -7.508
  984   1HB   MET 128          2HB       MET 128   6.456   2.539  -5.921
  985   2HB   MET 128          1HB       MET 128   6.451   4.230  -6.422
  986   1HG   MET 128          2HG       MET 128   3.808   3.149  -5.649
  987   2HG   MET 128          1HG       MET 128   4.980   3.256  -4.338
  988   1HE   MET 128          1HE       MET 128   2.984   4.937  -3.369
  989   2HE   MET 128          2HE       MET 128   2.163   4.725  -4.914
  990   3HE   MET 128          3HE       MET 128   2.432   6.348  -4.283
  991    H    ILE 129           HN       ILE 129   3.421   4.704  -7.810
  992    HA   ILE 129           HA       ILE 129   4.198   5.882 -10.341
  993    HB   ILE 129           HB       ILE 129   2.465   7.611  -9.716
  994   1HG1  ILE 129          2HG1      ILE 129   1.370   6.102  -7.501
  995   2HG1  ILE 129          1HG1      ILE 129   3.008   6.625  -7.120
  996   1HG2  ILE 129          1HG2      ILE 129   0.824   6.202 -10.430
  997   2HG2  ILE 129          2HG2      ILE 129   1.136   5.029  -9.150
  998   3HG2  ILE 129          3HG2      ILE 129   2.150   5.051 -10.593
  999   1HD1  ILE 129          1HD1      ILE 129   1.669   8.805  -8.398
 1000   2HD1  ILE 129          2HD1      ILE 129   2.253   8.708  -6.738
 1001   3HD1  ILE 129          3HD1      ILE 129   0.616   8.186  -7.127
 1002    HA   PRO 130           HA       PRO 130   7.023   9.058  -9.177
 1003   1HB   PRO 130          2HB       PRO 130   5.696  11.225 -10.509
 1004   2HB   PRO 130          1HB       PRO 130   7.078  10.278 -11.075
 1005   1HG   PRO 130          2HG       PRO 130   4.454  10.240 -12.103
 1006   2HG   PRO 130          1HG       PRO 130   5.787   9.159 -12.531
 1007   1HD   PRO 130          2HD       PRO 130   3.431   8.614 -10.906
 1008   2HD   PRO 130          1HD       PRO 130   4.601   7.478 -11.592
 1009    H    LEU 131           HN       LEU 131   6.667   9.353  -6.949
 1010    HA   LEU 131           HA       LEU 131   4.437  11.067  -6.055
 1011   1HB   LEU 131          2HB       LEU 131   6.436   9.277  -4.760
 1012   2HB   LEU 131          1HB       LEU 131   5.849  10.635  -3.801
 1013    HG   LEU 131           HG       LEU 131   3.932   8.840  -5.280
 1014   1HD1  LEU 131          1HD1      LEU 131   3.722   7.463  -3.293
 1015   2HD1  LEU 131          2HD1      LEU 131   4.890   8.461  -2.428
 1016   3HD1  LEU 131          3HD1      LEU 131   5.415   7.465  -3.786
 1017   1HD2  LEU 131          1HD2      LEU 131   3.794  10.748  -2.935
 1018   2HD2  LEU 131          2HD2      LEU 131   2.499   9.608  -3.297
 1019   3HD2  LEU 131          3HD2      LEU 131   2.931  10.853  -4.469
 1020    H    ASN 132           HN       ASN 132   4.799  13.063  -4.903
 1021    HA   ASN 132           HA       ASN 132   7.217  14.484  -5.842
 1022   1HB   ASN 132          2HB       ASN 132   4.511  15.212  -5.416
 1023   2HB   ASN 132          1HB       ASN 132   5.457  16.116  -4.235
 1024   1HD2  ASN 132          1HD2      ASN 132   6.565  17.940  -5.004
 1025   2HD2  ASN 132          2HD2      ASN 132   6.783  18.309  -6.646
 1026    H    TRP 133           HN       TRP 133   8.404  12.977  -4.227
 1027    HA   TRP 133           HA       TRP 133   8.200  13.154  -1.438
 1028   1HB   TRP 133          2HB       TRP 133  10.776  13.056  -3.037
 1029   2HB   TRP 133          1HB       TRP 133  10.576  12.561  -1.356
 1030    HD1  TRP 133           HD1      TRP 133  10.033  11.408  -4.899
 1031    HE1  TRP 133           HE1      TRP 133   9.136   8.991  -4.892
 1032    HE3  TRP 133           HE3      TRP 133   9.059  10.843   0.082
 1033    HZ2  TRP 133           HZ2      TRP 133   8.138   7.072  -3.021
 1034    HZ3  TRP 133           HZ3      TRP 133   8.137   8.712   0.949
 1035    HH2  TRP 133           HH2      TRP 133   7.676   6.828  -0.595
 1036    H    ASP 134           HN       ASP 134   9.522  15.513  -3.691
 1037    HA   ASP 134           HA       ASP 134  10.915  17.136  -1.792
 1038   1HB   ASP 134          2HB       ASP 134  10.470  17.205  -4.537
 1039   2HB   ASP 134          1HB       ASP 134   9.643  18.648  -3.951
 1040    H    ASP 135           HN       ASP 135   7.508  16.847  -2.583
 1041    HA   ASP 135           HA       ASP 135   6.832  19.297  -1.078
 1042   1HB   ASP 135          2HB       ASP 135   5.658  18.372  -3.232
 1043   2HB   ASP 135          1HB       ASP 135   4.818  17.312  -2.101
 1044    H    PHE 136           HN       PHE 136   7.429  16.052  -0.363
 1045    HA   PHE 136           HA       PHE 136   5.724  16.213   2.093
 1046   1HB   PHE 136          2HB       PHE 136   6.695  13.822   0.511
 1047   2HB   PHE 136          1HB       PHE 136   6.008  13.684   2.128
 1048    HD1  PHE 136           HD1      PHE 136   5.304  14.850  -1.333
 1049    HD2  PHE 136           HD2      PHE 136   3.658  13.784   2.486
 1050    HE1  PHE 136           HE1      PHE 136   3.026  14.895  -2.307
 1051    HE2  PHE 136           HE2      PHE 136   1.377  13.830   1.513
 1052    HZ   PHE 136           HZ       PHE 136   1.062  14.387  -0.883
 1053    H    THR 137           HN       THR 137   6.725  15.114   4.017
 1054    HA   THR 137           HA       THR 137   9.706  15.120   3.923
 1055    HB   THR 137           HB       THR 137   8.198  16.307   6.253
 1056    HG1  THR 137           HG1      THR 137   7.716  17.860   4.931
 1057   1HG2  THR 137          1HG2      THR 137  10.918  17.144   5.370
 1058   2HG2  THR 137          2HG2      THR 137  10.759  15.536   6.076
 1059   3HG2  THR 137          3HG2      THR 137  10.273  16.957   7.001
 1060    H    LYS 138           HN       LYS 138  10.562  13.356   4.963
 1061    HA   LYS 138           HA       LYS 138   8.791  11.337   6.023
 1062   1HB   LYS 138          2HB       LYS 138  10.910  10.777   4.894
 1063   2HB   LYS 138          1HB       LYS 138  11.810  11.580   6.180
 1064   1HG   LYS 138          2HG       LYS 138   9.949   9.685   7.321
 1065   2HG   LYS 138          1HG       LYS 138  10.959   8.885   6.116
 1066   1HD   LYS 138          2HD       LYS 138  12.154  10.713   8.197
 1067   2HD   LYS 138          1HD       LYS 138  11.866   9.006   8.530
 1068   1HE   LYS 138          2HE       LYS 138  14.058   8.970   7.711
 1069   2HE   LYS 138          1HE       LYS 138  13.121   8.626   6.258
 1070   1HZ   LYS 138          1HE       LYS 138  14.927  10.473   6.241
 1071   2HZ   LYS 138          2HE       LYS 138  13.708  11.417   6.956
 1072   3HZ   LYS 138          3HE       LYS 138  13.458  10.716   5.429
 1073    H    VAL 139           HN       VAL 139   7.918  11.377   8.027
 1074    HA   VAL 139           HA       VAL 139   9.141  13.097  10.103
 1075    HB   VAL 139           HB       VAL 139   7.017  12.621  11.344
 1076   1HG1  VAL 139          1HG1      VAL 139   5.728  14.109  10.046
 1077   2HG1  VAL 139          2HG1      VAL 139   6.361  13.475   8.527
 1078   3HG1  VAL 139          3HG1      VAL 139   7.382  14.476   9.559
 1079   1HG2  VAL 139          1HG2      VAL 139   6.757  10.360  10.111
 1080   2HG2  VAL 139          2HG2      VAL 139   6.075  11.309   8.791
 1081   3HG2  VAL 139          3HG2      VAL 139   5.295  11.311  10.373
 1082    H    SER 140           HN       SER 140   8.767   9.711   9.332
 1083    HA   SER 140           HA       SER 140  10.322   9.059  11.772
 1084   1HB   SER 140          2HB       SER 140   7.659   7.809  11.056
 1085   2HB   SER 140          1HB       SER 140   8.780   7.112  12.222
 1086    HG   SER 140           HG       SER 140   7.026   9.128  12.528
 1087    H    SER 141           HN       SER 141  11.734   7.356  11.445
 1088    HA   SER 141           HA       SER 141  11.362   5.577   9.133
 1089   1HB   SER 141          2HB       SER 141  13.234   7.828   9.115
 1090   2HB   SER 141          1HB       SER 141  14.013   6.286   8.779
 1091    HG   SER 141           HG       SER 141  12.523   5.940   7.133
 1092    H    ARG 142           HN       ARG 142  12.268   3.579   9.508
 1093    HA   ARG 142           HA       ARG 142  14.236   3.333  11.736
 1094   1HB   ARG 142          2HB       ARG 142  11.842   2.727  12.426
 1095   2HB   ARG 142          1HB       ARG 142  11.962   1.382  11.292
 1096   1HG   ARG 142          2HG       ARG 142  12.806   0.259  13.086
 1097   2HG   ARG 142          1HG       ARG 142  14.301   1.097  12.669
 1098   1HD   ARG 142          2HD       ARG 142  14.205   1.867  14.808
 1099   2HD   ARG 142          1HD       ARG 142  13.020   3.002  14.163
 1100    HE   ARG 142           HE       ARG 142  11.357   1.841  15.357
 1101   1HH1  ARG 142          1HH2      ARG 142  14.198  -0.113  14.962
 1102   2HH1  ARG 142          2HH2      ARG 142  13.604  -1.390  15.967
 1103   1HH2  ARG 142          1HH1      ARG 142  10.593   0.175  16.661
 1104   2HH2  ARG 142          2HH1      ARG 142  11.573  -1.229  16.924
 1105    H    THR 143           HN       THR 143  15.925   1.921  11.206
 1106    HA   THR 143           HA       THR 143  15.683   0.552   8.563
 1107    HB   THR 143           HB       THR 143  18.224   1.175  10.096
 1108    HG1  THR 143           HG1      THR 143  16.642   2.918   9.025
 1109   1HG2  THR 143          1HG2      THR 143  17.554   0.158   7.347
 1110   2HG2  THR 143          2HG2      THR 143  18.715  -0.479   8.512
 1111   3HG2  THR 143          3HG2      THR 143  19.070   1.010   7.636
 1112    H    VAL 144           HN       VAL 144  15.700  -1.661   8.543
 1113    HA   VAL 144           HA       VAL 144  16.522  -3.037  11.072
 1114    HB   VAL 144           HB       VAL 144  14.446  -4.053   9.121
 1115   1HG1  VAL 144          1HG1      VAL 144  14.369  -5.848  10.479
 1116   2HG1  VAL 144          2HG1      VAL 144  14.200  -4.828  11.908
 1117   3HG1  VAL 144          3HG1      VAL 144  15.804  -5.221  11.288
 1118   1HG2  VAL 144          1HG2      VAL 144  13.186  -2.302   9.864
 1119   2HG2  VAL 144          2HG2      VAL 144  14.243  -2.000  11.244
 1120   3HG2  VAL 144          3HG2      VAL 144  13.029  -3.276  11.327
 1121    H    GLU 145           HN       GLU 145  18.222  -4.396  10.792
 1122    HA   GLU 145           HA       GLU 145  19.083  -5.088   8.059
 1123   1HB   GLU 145          2HB       GLU 145  21.034  -6.128   9.257
 1124   2HB   GLU 145          1HB       GLU 145  20.817  -4.417   9.627
 1125   1HG   GLU 145          HG2       GLU 145  19.859  -4.886  11.751
 1126   2HG   GLU 145          HG1       GLU 145  19.601  -6.583  11.347
 1127    H    ASP 146           HN       ASP 146  19.576  -7.393   7.527
 1128    HA   ASP 146           HA       ASP 146  18.019  -9.362   9.118
 1129   1HB   ASP 146          2HB       ASP 146  16.993  -8.217   6.794
 1130   2HB   ASP 146          1HB       ASP 146  17.648  -9.761   6.248
 1131    H    THR 147           HN       THR 147  18.568 -11.604   8.552
 1132    HA   THR 147           HA       THR 147  21.361 -12.059   8.267
 1133    HB   THR 147           HB       THR 147  20.590 -14.468   7.770
 1134    HG1  THR 147           HG1      THR 147  18.534 -13.739   6.944
 1135   1HG2  THR 147          1HG2      THR 147  20.636 -12.927  10.134
 1136   2HG2  THR 147          2HG2      THR 147  20.722 -14.684  10.004
 1137   3HG2  THR 147          3HG2      THR 147  19.161 -13.891  10.214
 1138    H    ASN 148           HN       ASN 148  19.010 -11.362   5.896
 1139    HA   ASN 148           HA       ASN 148  20.767 -12.461   3.743
 1140   1HB   ASN 148          2HB       ASN 148  18.239 -13.049   3.879
 1141   2HB   ASN 148          1HB       ASN 148  17.991 -11.412   3.278
 1142   1HD2  ASN 148          1HD2      ASN 148  18.106 -14.465   2.126
 1143   2HD2  ASN 148          2HD2      ASN 148  18.799 -14.194   0.600
 1144    HA   PRO 149           HA       PRO 149  22.387  -8.364   3.102
 1145   1HB   PRO 149          2HB       PRO 149  22.834  -9.029   0.323
 1146   2HB   PRO 149          1HB       PRO 149  24.020  -8.843   1.620
 1147   1HG   PRO 149          2HG       PRO 149  23.037 -11.265   0.422
 1148   2HG   PRO 149          1HG       PRO 149  24.308 -11.068   1.636
 1149   1HD   PRO 149          2HD       PRO 149  21.782 -12.202   2.061
 1150   2HD   PRO 149          1HD       PRO 149  22.923 -11.690   3.314
 1151    H    ALA 150           HN       ALA 150  20.296  -9.781   0.564
 1152    HA   ALA 150           HA       ALA 150  19.482  -7.146  -0.381
 1153   1HB   ALA 150          1HB       ALA 150  18.451  -9.927  -0.995
 1154   2HB   ALA 150          2HB       ALA 150  19.565  -8.969  -1.970
 1155   3HB   ALA 150          3HB       ALA 150  17.885  -8.463  -1.799
 1156    H    LEU 151           HN       LEU 151  18.121  -9.555   1.841
 1157    HA   LEU 151           HA       LEU 151  15.487  -8.404   1.906
 1158   1HB   LEU 151          2HB       LEU 151  16.928 -10.080   3.975
 1159   2HB   LEU 151          1HB       LEU 151  15.206  -9.720   3.990
 1160    HG   LEU 151           HG       LEU 151  16.677 -11.193   1.782
 1161   1HD1  LEU 151          1HD1      LEU 151  14.570 -12.241   3.685
 1162   2HD1  LEU 151          2HD1      LEU 151  16.299 -12.403   3.994
 1163   3HD1  LEU 151          3HD1      LEU 151  15.581 -13.169   2.576
 1164   1HD2  LEU 151          1HD2      LEU 151  14.461 -11.547   0.815
 1165   2HD2  LEU 151          2HD2      LEU 151  14.732  -9.817   1.008
 1166   3HD2  LEU 151          3HD2      LEU 151  13.707 -10.682   2.152
 1167    H    THR 152           HN       THR 152  18.338  -6.989   2.899
 1168    HA   THR 152           HA       THR 152  17.534  -5.838   5.422
 1169    HB   THR 152           HB       THR 152  19.342  -4.490   3.404
 1170    HG1  THR 152           HG1      THR 152  19.888  -6.659   5.142
 1171   1HG2  THR 152          1HG2      THR 152  19.944  -4.638   6.306
 1172   2HG2  THR 152          2HG2      THR 152  18.538  -3.673   5.854
 1173   3HG2  THR 152          3HG2      THR 152  20.124  -3.288   5.185
 1174    H    HIS 153           HN       HIS 153  16.362  -3.869   5.773
 1175    HA   HIS 153           HA       HIS 153  15.591  -2.244   3.453
 1176   1HB   HIS 153          2HB       HIS 153  13.138  -2.636   3.822
 1177   2HB   HIS 153          1HB       HIS 153  13.999  -4.042   3.197
 1178    HD1  HIS 153           HD1      HIS 153  14.561  -5.963   4.934
 1179    HD2  HIS 153           HD2      HIS 153  12.024  -2.989   6.387
 1180    HE1  HIS 153           HE1      HIS 153  13.514  -6.884   7.049
 1181    H    THR 154           HN       THR 154  14.241  -0.405   4.057
 1182    HA   THR 154           HA       THR 154  14.324   0.256   6.969
 1183    HB   THR 154           HB       THR 154  14.861   2.249   4.753
 1184    HG1  THR 154           HG1      THR 154  16.539   0.820   4.676
 1185   1HG2  THR 154          1HG2      THR 154  15.886   3.498   6.683
 1186   2HG2  THR 154          2HG2      THR 154  15.257   2.244   7.751
 1187   3HG2  THR 154          3HG2      THR 154  14.146   3.253   6.828
 1188    H    TYR 155           HN       TYR 155  12.579   1.685   7.632
 1189    HA   TYR 155           HA       TYR 155  10.311   1.724   5.680
 1190   1HB   TYR 155          2HB       TYR 155  10.251   1.920   8.710
 1191   2HB   TYR 155          1HB       TYR 155   8.843   1.867   7.651
 1192    HD1  TYR 155           HD1      TYR 155   8.610  -0.194   6.092
 1193    HD2  TYR 155           HD2      TYR 155  11.203  -0.069   9.515
 1194    HE1  TYR 155           HE1      TYR 155   8.657  -2.674   6.148
 1195    HE2  TYR 155           HE2      TYR 155  11.252  -2.548   9.569
 1196    HH   TYR 155           HH       TYR 155   9.995  -4.468   6.987
 1197    H    GLU 156           HN       GLU 156   9.714   3.741   4.927
 1198    HA   GLU 156           HA       GLU 156  10.630   6.097   6.527
 1199   1HB   GLU 156          2HB       GLU 156  10.238   5.831   3.532
 1200   2HB   GLU 156          1HB       GLU 156  10.661   7.328   4.363
 1201   1HG   GLU 156          HG2       GLU 156  12.729   6.315   5.195
 1202   2HG   GLU 156          HG1       GLU 156  12.302   4.780   4.438
 1203    H    VAL 157           HN       VAL 157   9.001   7.273   7.380
 1204    HA   VAL 157           HA       VAL 157   6.285   7.052   6.143
 1205    HB   VAL 157           HB       VAL 157   7.015   7.880   8.970
 1206   1HG1  VAL 157          1HG1      VAL 157   4.419   7.405   7.504
 1207   2HG1  VAL 157          2HG1      VAL 157   4.907   8.819   8.439
 1208   3HG1  VAL 157          3HG1      VAL 157   4.515   7.309   9.262
 1209   1HG2  VAL 157          1HG2      VAL 157   7.389   5.657   9.254
 1210   2HG2  VAL 157          2HG2      VAL 157   6.661   5.248   7.701
 1211   3HG2  VAL 157          3HG2      VAL 157   5.639   5.489   9.118
 1212    H    TRP 158           HN       TRP 158   5.513   8.925   5.190
 1213    HA   TRP 158           HA       TRP 158   6.906  11.471   5.922
 1214   1HB   TRP 158          2HB       TRP 158   5.566  10.783   3.297
 1215   2HB   TRP 158          1HB       TRP 158   6.450  12.260   3.661
 1216    HD1  TRP 158           HD1      TRP 158   7.208   8.456   3.844
 1217    HE1  TRP 158           HE1      TRP 158   9.600   8.089   2.955
 1218    HE3  TRP 158           HE3      TRP 158   8.519  13.281   2.820
 1219    HZ2  TRP 158           HZ2      TRP 158  11.783   9.639   1.944
 1220    HZ3  TRP 158           HZ3      TRP 158  10.756  13.809   1.894
 1221    HH2  TRP 158           HH2      TRP 158  12.389  11.996   1.456
 1222    H    GLN 159           HN       GLN 159   5.596  13.424   5.656
 1223    HA   GLN 159           HA       GLN 159   2.656  13.033   5.890
 1224   1HB   GLN 159          2HB       GLN 159   4.432  14.583   7.804
 1225   2HB   GLN 159          1HB       GLN 159   2.683  14.800   7.721
 1226   1HG   GLN 159          2HG       GLN 159   2.653  12.171   7.968
 1227   2HG   GLN 159          1HG       GLN 159   4.254  12.425   8.664
 1228   1HE2  GLN 159          1HE2      GLN 159   1.194  11.981   9.680
 1229   2HE2  GLN 159          2HE2      GLN 159   1.167  12.982  11.051
 1230    H    LYS 160           HN       LYS 160   1.499  14.828   4.911
 1231    HA   LYS 160           HA       LYS 160   3.123  16.432   3.106
 1232   1HB   LYS 160          2HB       LYS 160   0.877  15.512   2.501
 1233   2HB   LYS 160          1HB       LYS 160   0.152  16.599   3.686
 1234   1HG   LYS 160          2HG       LYS 160   1.925  18.123   2.021
 1235   2HG   LYS 160          1HG       LYS 160   0.857  17.177   0.985
 1236   1HD   LYS 160          2HD       LYS 160  -1.018  18.008   2.627
 1237   2HD   LYS 160          1HD       LYS 160   0.148  19.273   3.016
 1238   1HE   LYS 160          2HE       LYS 160  -0.018  20.251   0.950
 1239   2HE   LYS 160          1HE       LYS 160  -0.269  18.712   0.127
 1240   1HZ   LYS 160          1HE       LYS 160  -2.501  18.787   1.469
 1241   2HZ   LYS 160          2HE       LYS 160  -2.345  19.598  -0.016
 1242   3HZ   LYS 160          3HE       LYS 160  -2.217  20.459   1.442
 1243    H    LYS 161           HN       LYS 161   3.824  18.482   3.447
 1244    HA   LYS 161           HA       LYS 161   3.274  19.769   6.024
 1245   1HB   LYS 161          2HB       LYS 161   4.889  20.744   3.647
 1246   2HB   LYS 161          1HB       LYS 161   4.893  21.456   5.261
 1247   1HG   LYS 161          2HG       LYS 161   5.578  19.109   6.091
 1248   2HG   LYS 161          1HG       LYS 161   5.950  18.764   4.402
 1249   1HD   LYS 161          2HD       LYS 161   7.851  19.981   4.473
 1250   2HD   LYS 161          1HD       LYS 161   7.037  21.338   5.252
 1251   1HE   LYS 161          2HE       LYS 161   7.499  20.568   7.389
 1252   2HE   LYS 161          1HE       LYS 161   7.579  18.883   6.878
 1253   1HZ   LYS 161          1HE       LYS 161   9.710  20.496   7.336
 1254   2HZ   LYS 161          2HE       LYS 161   9.578  20.535   5.643
 1255   3HZ   LYS 161          3HE       LYS 161   9.744  19.050   6.452
 1256    H    ALA 162           HN       ALA 162   2.519  22.040   6.120
 1257    HA   ALA 162           HA       ALA 162   0.532  22.607   3.955
 1258   1HB   ALA 162          1HB       ALA 162   0.472  23.045   6.933
 1259   2HB   ALA 162          2HB       ALA 162  -0.738  22.280   5.903
 1260   3HB   ALA 162          3HB       ALA 162  -0.531  24.031   5.869
 1261   AH51  NDP 168          AH51      NDP 168  -5.964  -0.882  -9.641
 1262   AH52  NDP 168          AH52      NDP 168  -6.165  -2.002  -8.290
 1263   AH4*  NDP 168          AH4*      NDP 168  -7.805  -3.305  -9.729
 1264   AH3*  NDP 168          AH3*      NDP 168  -7.377  -1.004 -11.646
 1265   AHO3  NDP 168          AHO3      NDP 168  -7.828  -3.820 -11.881
 1266   AH2*  NDP 168          AH2*      NDP 168  -9.705  -1.138 -12.171
 1267   AH1*  NDP 168          AH1*      NDP 168 -10.582  -1.419  -9.559
 1268   AH8   NDP 168          AH8       NDP 168  -7.654   0.902 -10.557
 1269   AH61  NDP 168          AH61      NDP 168 -11.857   5.422  -9.925
 1270   AH62  NDP 168          AH62      NDP 168 -10.156   5.070 -10.107
 1271   AH2   NDP 168          AH2       NDP 168 -13.919   1.504  -9.226
 1272   NH51  NDP 168          NH51      NDP 168  -1.910  -5.307  -9.528
 1273   NH52  NDP 168          NH52      NDP 168  -1.722  -4.193  -8.168
 1274   NH4*  NDP 168          NH4*      NDP 168   0.405  -6.096  -9.267
 1275   NH3*  NDP 168          NH3*      NDP 168  -1.228  -6.220  -6.719
 1276   NHO3  NDP 168          NHO3      NDP 168  -0.748  -7.774  -8.983
 1277   NH2*  NDP 168          NH2*      NDP 168   0.682  -7.255  -5.697
 1278   NHO2  NDP 168          NHO2      NDP 168   2.562  -7.461  -7.448
 1279   NH1*  NDP 168          NH1*      NDP 168   2.553  -5.541  -6.835
 1280   NH2   NDP 168          NH2       NDP 168   3.172  -4.049  -5.072
 1281   NH71  NDP 168          NH71      NDP 168   4.607  -3.473  -4.369
 1282   NH72  NDP 168          NH72      NDP 168   5.121  -2.406  -3.082
 1283   NH41  NDP 168          NH41      NDP 168   0.165  -2.321  -3.126
 1284   NH42  NDP 168          NH42      NDP 168   0.499  -3.777  -2.128
 1285   NH5   NDP 168          NH5       NDP 168  -1.555  -4.071  -3.502
 1286   NH6   NDP 168          NH6       NDP 168  -0.945  -5.428  -5.564
 1287    H1   TRR 170           H1       TRR 170   4.746  -5.443   1.812
 1288   1H2   TRR 170          1H2       TRR 170   4.806  -1.995   2.688
 1289   2H2   TRR 170          2H2       TRR 170   5.632  -3.485   2.845
 1290   1H4   TRR 170          1H4       TRR 170   0.099  -3.171  -0.561
 1291   2H4   TRR 170          2H4       TRR 170   0.727  -1.771   0.175
 1292    H6   TRR 170           H6       TRR 170   3.108  -6.626   0.492
 1293   1H7   TRR 170          1H7       TRR 170   1.083  -5.283  -1.683
 1294   2H7   TRR 170          2H7       TRR 170  -0.077  -5.092  -0.365
 1295    H12  TRR 170           H12      TRR 170   1.698  -7.407  -2.379
 1296    H16  TRR 170           H16      TRR 170  -0.013  -6.861   1.542
 1297   1H17  TRR 170          1H17      TRR 170   2.838  -8.658  -3.274
 1298   2H17  TRR 170          2H17      TRR 170   1.420  -9.232  -4.137
 1299   3H17  TRR 170          3H17      TRR 170   2.842 -10.256  -4.003
 1300   1H18  TRR 170          1H18      TRR 170   2.208 -12.527  -0.256
 1301   2H18  TRR 170          2H18      TRR 170   1.781 -12.284   1.432
 1302   3H18  TRR 170          3H18      TRR 170   2.730 -11.072   0.583
 1303   1H19  TRR 170          1H19      TRR 170   0.185  -8.260   3.728
 1304   2H19  TRR 170          2H19      TRR 170  -1.325  -9.156   3.800
 1305   3H19  TRR 170          3H19      TRR 170  -1.175  -7.772   2.728
  Start of MODEL    8
    1   1H    THR   1          1H        THR   1  -5.062   9.637   4.670
    2   2H    THR   1          2H        THR   1  -6.642   9.536   4.053
    3   3H    THR   1          3H        THR   1  -5.633  10.828   3.605
    4    HA   THR   1           HA       THR   1  -5.605   8.040   2.704
    5    HB   THR   1           HB       THR   1  -4.716  10.333   1.042
    6    HG1  THR   1           HG1      THR   1  -6.383  11.407   1.825
    7   1HG2  THR   1          1HG2      THR   1  -6.905   8.669   0.099
    8   2HG2  THR   1          2HG2      THR   1  -5.548   7.692   0.663
    9   3HG2  THR   1          3HG2      THR   1  -5.301   8.904  -0.594
   10    H    ALA   2           HN       ALA   2  -3.754   6.916   2.924
   11    HA   ALA   2           HA       ALA   2  -1.172   8.403   2.714
   12   1HB   ALA   2          1HB       ALA   2  -0.223   7.167   4.536
   13   2HB   ALA   2          2HB       ALA   2  -1.618   6.090   4.616
   14   3HB   ALA   2          3HB       ALA   2  -1.775   7.776   5.111
   15    H    PHE   3           HN       PHE   3   0.598   7.071   1.879
   16    HA   PHE   3           HA       PHE   3  -0.420   4.785   0.254
   17   1HB   PHE   3          2HB       PHE   3   1.853   6.730  -0.070
   18   2HB   PHE   3          1HB       PHE   3   1.912   5.168  -0.883
   19    HD1  PHE   3           HD1      PHE   3  -0.973   7.462  -0.180
   20    HD2  PHE   3           HD2      PHE   3   1.462   5.546  -3.141
   21    HE1  PHE   3           HE1      PHE   3  -2.465   8.316  -1.961
   22    HE2  PHE   3           HE2      PHE   3  -0.030   6.401  -4.922
   23    HZ   PHE   3           HZ       PHE   3  -1.993   7.784  -4.332
   24    H    LEU   4           HN       LEU   4   0.400   2.716   0.657
   25    HA   LEU   4           HA       LEU   4   2.754   2.556   2.489
   26   1HB   LEU   4          2HB       LEU   4   0.758   2.174   3.839
   27   2HB   LEU   4          1HB       LEU   4   0.158   0.996   2.675
   28    HG   LEU   4           HG       LEU   4   2.035  -0.489   3.151
   29   1HD1  LEU   4          1HD1      LEU   4   3.772   1.176   3.581
   30   2HD1  LEU   4          2HD1      LEU   4   3.633   0.113   4.981
   31   3HD1  LEU   4          3HD1      LEU   4   2.924   1.727   5.027
   32   1HD2  LEU   4          1HD2      LEU   4   1.589  -0.840   5.642
   33   2HD2  LEU   4          2HD2      LEU   4   0.159  -0.818   4.611
   34   3HD2  LEU   4          3HD2      LEU   4   0.576   0.602   5.572
   35    H    TRP   5           HN       TRP   5   4.081   1.992   0.650
   36    HA   TRP   5           HA       TRP   5   3.581  -0.785  -0.321
   37   1HB   TRP   5          2HB       TRP   5   3.996  -0.225  -2.578
   38   2HB   TRP   5          1HB       TRP   5   2.925   1.052  -2.008
   39    HD1  TRP   5           HD1      TRP   5   6.346   0.436  -3.400
   40    HE1  TRP   5           HE1      TRP   5   7.615   2.670  -3.625
   41    HE3  TRP   5           HE3      TRP   5   3.207   3.500  -0.785
   42    HZ2  TRP   5           HZ2      TRP   5   7.332   5.395  -2.807
   43    HZ3  TRP   5           HZ3      TRP   5   3.731   5.908  -0.525
   44    HH2  TRP   5           HH2      TRP   5   5.786   6.858  -1.532
   45    H    ALA   6           HN       ALA   6   5.450  -2.035  -0.564
   46    HA   ALA   6           HA       ALA   6   7.947  -0.792   0.474
   47   1HB   ALA   6          1HB       ALA   6   8.617  -3.339   0.481
   48   2HB   ALA   6          2HB       ALA   6   6.876  -3.600   0.370
   49   3HB   ALA   6          3HB       ALA   6   7.550  -2.719   1.741
   50    H    GLN   7           HN       GLN   7   9.609  -0.432  -0.934
   51    HA   GLN   7           HA       GLN   7   9.554  -1.897  -3.541
   52   1HB   GLN   7          2HB       GLN   7  10.370   0.213  -4.618
   53   2HB   GLN   7          1HB       GLN   7   8.736   0.346  -3.969
   54   1HG   GLN   7          2HG       GLN   7   9.364   1.790  -2.307
   55   2HG   GLN   7          1HG       GLN   7  10.951   1.045  -2.115
   56   1HE2  GLN   7          1HE2      GLN   7  12.696   1.815  -3.471
   57   2HE2  GLN   7          2HE2      GLN   7  12.541   3.202  -4.438
   58    H    ASP   8           HN       ASP   8  11.682  -1.982  -4.619
   59    HA   ASP   8           HA       ASP   8  13.817  -2.364  -2.624
   60   1HB   ASP   8          2HB       ASP   8  15.015  -3.512  -4.392
   61   2HB   ASP   8          1HB       ASP   8  13.344  -4.073  -4.405
   62    H    ARG   9           HN       ARG   9  16.074  -1.853  -4.219
   63    HA   ARG   9           HA       ARG   9  16.447   0.930  -3.776
   64   1HB   ARG   9          2HB       ARG   9  18.505   0.637  -5.210
   65   2HB   ARG   9          1HB       ARG   9  18.375  -0.493  -3.865
   66   1HG   ARG   9          2HG       ARG   9  18.721  -2.105  -5.420
   67   2HG   ARG   9          1HG       ARG   9  17.042  -1.831  -5.877
   68   1HD   ARG   9          2HD       ARG   9  17.720  -1.138  -7.901
   69   2HD   ARG   9          1HD       ARG   9  18.599   0.189  -7.147
   70    HE   ARG   9           HE       ARG   9  19.752  -2.370  -8.047
   71   1HH1  ARG   9          1HH1      ARG   9  20.120   0.562  -6.212
   72   2HH1  ARG   9          2HH1      ARG   9  21.845   0.476  -6.209
   73   1HH2  ARG   9          1HH2      ARG   9  21.995  -2.461  -8.030
   74   2HH2  ARG   9          2HH2      ARG   9  22.902  -1.221  -7.230
   75    H    ASP  10           HN       ASP  10  15.768  -0.804  -6.858
   76    HA   ASP  10           HA       ASP  10  15.809   1.611  -8.433
   77   1HB   ASP  10          2HB       ASP  10  14.886  -1.210  -8.863
   78   2HB   ASP  10          1HB       ASP  10  14.414   0.035 -10.020
   79    H    GLY  11           HN       GLY  11  13.294  -0.077  -6.634
   80   1HA   GLY  11          2HA       GLY  11  11.399   1.290  -5.813
   81   2HA   GLY  11          1HA       GLY  11  11.445   2.165  -7.341
   82    H    LEU  12           HN       LEU  12  11.570  -1.354  -6.821
   83    HA   LEU  12           HA       LEU  12   9.327  -1.665  -8.732
   84   1HB   LEU  12          2HB       LEU  12  11.291  -3.098  -9.040
   85   2HB   LEU  12          1HB       LEU  12  11.156  -3.682  -7.383
   86    HG   LEU  12           HG       LEU  12   8.816  -4.505  -8.023
   87   1HD1  LEU  12          1HD1      LEU  12   9.584  -4.768 -10.828
   88   2HD1  LEU  12          2HD1      LEU  12   9.370  -3.082 -10.354
   89   3HD1  LEU  12          3HD1      LEU  12   8.055  -4.236 -10.131
   90   1HD2  LEU  12          1HD2      LEU  12  11.392  -5.608  -9.124
   91   2HD2  LEU  12          2HD2      LEU  12   9.866  -6.462  -9.372
   92   3HD2  LEU  12          3HD2      LEU  12  10.457  -6.164  -7.735
   93    H    ILE  13           HN       ILE  13   7.450  -3.040  -8.118
   94    HA   ILE  13           HA       ILE  13   7.012  -3.061  -5.162
   95    HB   ILE  13           HB       ILE  13   4.493  -2.898  -5.870
   96   1HG1  ILE  13          2HG1      ILE  13   5.225  -1.066  -8.012
   97   2HG1  ILE  13          1HG1      ILE  13   5.678  -2.722  -8.402
   98   1HG2  ILE  13          1HG2      ILE  13   6.298  -1.162  -4.829
   99   2HG2  ILE  13          2HG2      ILE  13   4.604  -0.759  -5.105
  100   3HG2  ILE  13          3HG2      ILE  13   5.826  -0.289  -6.287
  101   1HD1  ILE  13          1HD1      ILE  13   3.520  -3.413  -8.561
  102   2HD1  ILE  13          2HD1      ILE  13   3.162  -1.695  -8.742
  103   3HD1  ILE  13          3HD1      ILE  13   3.019  -2.463  -7.160
  104    H    GLY  14           HN       GLY  14   5.385  -4.509  -8.057
  105   1HA   GLY  14          2HA       GLY  14   6.023  -7.192  -7.019
  106   2HA   GLY  14          1HA       GLY  14   4.317  -6.758  -6.941
  107    H    LYS  15           HN       LYS  15   5.646  -8.847  -8.593
  108    HA   LYS  15           HA       LYS  15   4.736  -7.843 -11.261
  109   1HB   LYS  15          2HB       LYS  15   7.265  -8.084 -11.010
  110   2HB   LYS  15          1HB       LYS  15   6.990  -9.820 -10.870
  111   1HG   LYS  15          2HG       LYS  15   5.475  -9.068 -13.096
  112   2HG   LYS  15          1HG       LYS  15   6.962  -8.133 -13.250
  113   1HD   LYS  15          2HD       LYS  15   7.521 -10.869 -12.425
  114   2HD   LYS  15          1HD       LYS  15   6.610 -10.830 -13.933
  115   1HE   LYS  15          2HE       LYS  15   8.593 -10.441 -14.946
  116   2HE   LYS  15          1HE       LYS  15   8.481  -8.811 -14.282
  117   1HZ   LYS  15          1HE       LYS  15  10.541  -9.640 -13.582
  118   2HZ   LYS  15          2HE       LYS  15   9.898 -11.153 -13.154
  119   3HZ   LYS  15          3HE       LYS  15   9.539  -9.779 -12.221
  120    H    ASP  16           HN       ASP  16   3.312  -9.167 -12.296
  121    HA   ASP  16           HA       ASP  16   1.879 -10.972 -12.679
  122   1HB   ASP  16          2HB       ASP  16   4.363 -12.324 -11.649
  123   2HB   ASP  16          1HB       ASP  16   2.914 -13.266 -12.004
  124    H    GLY  17           HN       GLY  17   1.922  -9.528 -10.034
  125   1HA   GLY  17          2HA       GLY  17   0.289  -9.692  -8.289
  126   2HA   GLY  17          1HA       GLY  17   0.096 -11.401  -8.666
  127    H    HIS  18           HN       HIS  18   2.201 -12.729  -8.169
  128    HA   HIS  18           HA       HIS  18   2.715 -12.475  -5.362
  129   1HB   HIS  18          2HB       HIS  18   4.460 -14.238  -5.776
  130   2HB   HIS  18          1HB       HIS  18   2.867 -14.649  -6.408
  131    HD1  HIS  18           HD1      HIS  18   6.265 -13.430  -7.544
  132    HD2  HIS  18           HD2      HIS  18   2.750 -14.944  -9.197
  133    HE1  HIS  18           HE1      HIS  18   6.758 -13.880  -9.987
  134    H    LEU  19           HN       LEU  19   4.225 -11.321  -4.287
  135    HA   LEU  19           HA       LEU  19   5.784  -9.294  -5.477
  136   1HB   LEU  19          2HB       LEU  19   5.863 -10.708  -2.836
  137   2HB   LEU  19          1HB       LEU  19   7.202  -9.642  -3.263
  138    HG   LEU  19           HG       LEU  19   4.436  -8.618  -3.701
  139   1HD1  LEU  19          1HD1      LEU  19   5.747  -8.604  -0.971
  140   2HD1  LEU  19          2HD1      LEU  19   4.465  -9.728  -1.424
  141   3HD1  LEU  19          3HD1      LEU  19   4.148  -7.993  -1.395
  142   1HD2  LEU  19          1HD2      LEU  19   5.474  -6.518  -3.282
  143   2HD2  LEU  19          2HD2      LEU  19   6.659  -7.429  -4.217
  144   3HD2  LEU  19          3HD2      LEU  19   6.846  -7.272  -2.471
  145    HA   PRO  20           HA       PRO  20   9.367 -11.408  -7.030
  146   1HB   PRO  20          2HB       PRO  20  11.130  -9.233  -6.796
  147   2HB   PRO  20          1HB       PRO  20  10.064  -9.572  -8.167
  148   1HG   PRO  20          2HG       PRO  20   9.895  -7.403  -6.347
  149   2HG   PRO  20          1HG       PRO  20   8.760  -7.816  -7.637
  150   1HD   PRO  20          2HD       PRO  20   8.544  -8.295  -4.731
  151   2HD   PRO  20          1HD       PRO  20   7.269  -8.215  -5.963
  152    H    TRP  21           HN       TRP  21   9.720  -9.626  -3.980
  153    HA   TRP  21           HA       TRP  21  12.004 -11.417  -3.273
  154   1HB   TRP  21          2HB       TRP  21  12.526  -9.659  -1.558
  155   2HB   TRP  21          1HB       TRP  21  12.613  -9.061  -3.215
  156    HD1  TRP  21           HD1      TRP  21  10.238  -9.075  -0.186
  157    HE1  TRP  21           HE1      TRP  21   8.669  -7.037  -0.370
  158    HE3  TRP  21           HE3      TRP  21  11.662  -7.276  -4.751
  159    HZ2  TRP  21           HZ2      TRP  21   8.095  -4.922  -2.208
  160    HZ3  TRP  21           HZ3      TRP  21  10.587  -5.249  -5.693
  161    HH2  TRP  21           HH2      TRP  21   8.808  -4.072  -4.428
  162    H    HIS  22           HN       HIS  22  11.824 -12.694  -1.457
  163    HA   HIS  22           HA       HIS  22   9.158 -12.800  -0.165
  164   1HB   HIS  22          2HB       HIS  22  10.578 -14.837  -1.041
  165   2HB   HIS  22          1HB       HIS  22  11.422 -14.663   0.498
  166    HD1  HIS  22           HD1      HIS  22   8.252 -15.856  -0.998
  167    HD2  HIS  22           HD2      HIS  22   9.694 -15.013   2.822
  168    HE1  HIS  22           HE1      HIS  22   6.615 -16.895   0.631
  169    H    LEU  23           HN       LEU  23   9.190 -11.040   1.283
  170    HA   LEU  23           HA       LEU  23  11.241 -11.225   3.455
  171   1HB   LEU  23          2HB       LEU  23  11.596  -9.222   2.030
  172   2HB   LEU  23          1HB       LEU  23   9.945  -8.704   2.369
  173    HG   LEU  23           HG       LEU  23  10.505  -8.683   4.807
  174   1HD1  LEU  23          1HD1      LEU  23  13.199  -9.430   3.696
  175   2HD1  LEU  23          2HD1      LEU  23  12.304 -10.195   5.008
  176   3HD1  LEU  23          3HD1      LEU  23  13.047  -8.614   5.251
  177   1HD2  LEU  23          1HD2      LEU  23  12.607  -6.923   3.735
  178   2HD2  LEU  23          2HD2      LEU  23  11.140  -6.507   4.620
  179   3HD2  LEU  23          3HD2      LEU  23  11.072  -6.787   2.879
  180    HA   PRO  24           HA       PRO  24   7.327 -11.929   5.659
  181   1HB   PRO  24          2HB       PRO  24   8.821 -12.721   7.952
  182   2HB   PRO  24          1HB       PRO  24   7.969 -13.765   6.807
  183   1HG   PRO  24          2HG       PRO  24  10.773 -13.497   7.156
  184   2HG   PRO  24          1HG       PRO  24   9.918 -14.470   5.951
  185   1HD   PRO  24          2HD       PRO  24  11.345 -11.964   5.590
  186   2HD   PRO  24          1HD       PRO  24  10.698 -13.065   4.365
  187    H    ASP  25           HN       ASP  25  10.216 -10.251   6.835
  188    HA   ASP  25           HA       ASP  25   8.962  -8.926   9.051
  189   1HB   ASP  25          2HB       ASP  25  11.509  -9.152   8.301
  190   2HB   ASP  25          1HB       ASP  25  11.175  -7.593   7.547
  191    H    ASP  26           HN       ASP  26   8.913  -8.331   5.616
  192    HA   ASP  26           HA       ASP  26   8.031  -5.553   5.885
  193   1HB   ASP  26          2HB       ASP  26   9.261  -6.149   3.884
  194   2HB   ASP  26          1HB       ASP  26   8.128  -7.449   3.519
  195    H    LEU  27           HN       LEU  27   6.507  -8.693   5.088
  196    HA   LEU  27           HA       LEU  27   3.879  -7.770   4.634
  197   1HB   LEU  27          2HB       LEU  27   4.808 -10.324   5.985
  198   2HB   LEU  27          1HB       LEU  27   3.160 -10.034   5.427
  199    HG   LEU  27           HG       LEU  27   5.444  -9.648   3.518
  200   1HD1  LEU  27          1HD1      LEU  27   5.569 -11.943   2.984
  201   2HD1  LEU  27          2HD1      LEU  27   4.088 -12.319   3.863
  202   3HD1  LEU  27          3HD1      LEU  27   5.564 -11.930   4.747
  203   1HD2  LEU  27          1HD2      LEU  27   3.152  -8.977   2.884
  204   2HD2  LEU  27          2HD2      LEU  27   2.578 -10.607   3.233
  205   3HD2  LEU  27          3HD2      LEU  27   3.702 -10.334   1.902
  206    H    HIS  28           HN       HIS  28   5.548  -8.483   7.688
  207    HA   HIS  28           HA       HIS  28   3.282  -8.039   9.398
  208   1HB   HIS  28          2HB       HIS  28   6.244  -7.683   9.964
  209   2HB   HIS  28          1HB       HIS  28   4.976  -7.751  11.187
  210    HD1  HIS  28           HD1      HIS  28   3.279 -10.068  10.158
  211    HD2  HIS  28           HD2      HIS  28   7.446 -10.171  10.228
  212    HE1  HIS  28           HE1      HIS  28   3.935 -12.514  10.153
  213    H    TYR  29           HN       TYR  29   5.784  -5.913   8.062
  214    HA   TYR  29           HA       TYR  29   5.048  -3.554   9.529
  215   1HB   TYR  29          2HB       TYR  29   7.174  -3.891   8.186
  216   2HB   TYR  29          1HB       TYR  29   6.207  -3.653   6.731
  217    HD1  TYR  29           HD1      TYR  29   7.014  -2.046  10.015
  218    HD2  TYR  29           HD2      TYR  29   5.797  -1.484   5.934
  219    HE1  TYR  29           HE1      TYR  29   7.190   0.411  10.301
  220    HE2  TYR  29           HE2      TYR  29   5.972   0.973   6.221
  221    HH   TYR  29           HH       TYR  29   5.850   2.539   8.771
  222    H    PHE  30           HN       PHE  30   3.943  -4.955   6.477
  223    HA   PHE  30           HA       PHE  30   2.284  -2.757   5.666
  224   1HB   PHE  30          2HB       PHE  30   2.929  -4.506   4.086
  225   2HB   PHE  30          1HB       PHE  30   2.088  -5.721   5.047
  226    HD1  PHE  30           HD1      PHE  30   1.259  -2.295   3.745
  227    HD2  PHE  30           HD2      PHE  30   0.082  -6.408   4.103
  228    HE1  PHE  30           HE1      PHE  30  -0.850  -1.795   2.540
  229    HE2  PHE  30           HE2      PHE  30  -2.025  -5.911   2.897
  230    HZ   PHE  30           HZ       PHE  30  -2.490  -3.603   2.113
  231    H    ARG  31           HN       ARG  31   1.536  -5.772   7.432
  232    HA   ARG  31           HA       ARG  31  -1.244  -5.195   7.815
  233   1HB   ARG  31          2HB       ARG  31  -0.077  -7.433   8.140
  234   2HB   ARG  31          1HB       ARG  31   0.523  -6.805   9.674
  235   1HG   ARG  31          2HG       ARG  31  -1.942  -6.262  10.207
  236   2HG   ARG  31          1HG       ARG  31  -2.334  -7.329   8.857
  237   1HD   ARG  31          2HD       ARG  31  -2.361  -8.695  10.830
  238   2HD   ARG  31          1HD       ARG  31  -0.873  -9.082   9.968
  239    HE   ARG  31           HE       ARG  31  -0.831  -7.091  12.188
  240   1HH1  ARG  31          1HH2      ARG  31   0.214 -10.082  10.742
  241   2HH1  ARG  31          2HH2      ARG  31   1.497 -10.309  11.877
  242   1HH2  ARG  31          1HH1      ARG  31   0.835  -7.418  13.655
  243   2HH2  ARG  31          2HH1      ARG  31   1.847  -8.817  13.515
  244    H    ALA  32           HN       ALA  32   1.427  -4.991  10.181
  245    HA   ALA  32           HA       ALA  32   0.080  -3.678  12.245
  246   1HB   ALA  32          1HB       ALA  32   2.137  -3.485  13.182
  247   2HB   ALA  32          2HB       ALA  32   2.798  -2.639  11.782
  248   3HB   ALA  32          3HB       ALA  32   2.687  -4.400  11.778
  249    H    GLN  33           HN       GLN  33   1.537  -2.217   9.342
  250    HA   GLN  33           HA       GLN  33   1.068   0.504  10.184
  251   1HB   GLN  33          2HB       GLN  33   1.737  -0.830   7.573
  252   2HB   GLN  33          1HB       GLN  33   1.338   0.887   7.619
  253   1HG   GLN  33          2HG       GLN  33   3.420  -0.329   9.442
  254   2HG   GLN  33          1HG       GLN  33   3.822   0.293   7.841
  255   1HE2  GLN  33          1HE2      GLN  33   2.330   2.603   7.630
  256   2HE2  GLN  33          2HE2      GLN  33   2.731   3.693   8.867
  257    H    THR  34           HN       THR  34  -1.004  -1.916   8.839
  258    HA   THR  34           HA       THR  34  -3.032   0.213   8.247
  259    HB   THR  34           HB       THR  34  -4.031  -1.349   6.624
  260    HG1  THR  34           HG1      THR  34  -1.781  -2.973   7.191
  261   1HG2  THR  34          1HG2      THR  34  -2.654  -0.339   5.166
  262   2HG2  THR  34          2HG2      THR  34  -1.449  -1.590   5.475
  263   3HG2  THR  34          3HG2      THR  34  -1.446  -0.106   6.431
  264    H    VAL  35           HN       VAL  35  -2.602  -1.114  10.876
  265    HA   VAL  35           HA       VAL  35  -4.885  -2.959  11.115
  266    HB   VAL  35           HB       VAL  35  -4.271  -2.975  13.544
  267   1HG1  VAL  35          1HG1      VAL  35  -1.812  -3.386  11.847
  268   2HG1  VAL  35          2HG1      VAL  35  -3.221  -4.434  11.689
  269   3HG1  VAL  35          3HG1      VAL  35  -2.363  -4.335  13.227
  270   1HG2  VAL  35          1HG2      VAL  35  -3.040  -0.549  12.928
  271   2HG2  VAL  35          2HG2      VAL  35  -1.689  -1.668  13.116
  272   3HG2  VAL  35          3HG2      VAL  35  -2.846  -1.456  14.431
  273    H    GLY  36           HN       GLY  36  -6.920  -2.289  11.507
  274   1HA   GLY  36          2HA       GLY  36  -8.691  -1.026  12.408
  275   2HA   GLY  36          1HA       GLY  36  -7.505  -0.092  13.314
  276    H    LYS  37           HN       LYS  37  -6.794  -0.204   9.963
  277    HA   LYS  37           HA       LYS  37  -8.117   2.461   9.616
  278   1HB   LYS  37          2HB       LYS  37  -5.458   1.607   8.438
  279   2HB   LYS  37          1HB       LYS  37  -6.198   3.205   8.335
  280   1HG   LYS  37          2HG       LYS  37  -5.689   3.740  10.514
  281   2HG   LYS  37          1HG       LYS  37  -5.798   2.067  11.062
  282   1HD   LYS  37          2HD       LYS  37  -3.611   1.626  10.581
  283   2HD   LYS  37          1HD       LYS  37  -3.623   2.630   9.131
  284   1HE   LYS  37          2HE       LYS  37  -3.620   4.660  10.597
  285   2HE   LYS  37          1HE       LYS  37  -3.452   3.601  11.998
  286   1HZ   LYS  37          1HE       LYS  37  -1.295   4.318  11.369
  287   2HZ   LYS  37          2HE       LYS  37  -1.555   3.914   9.739
  288   3HZ   LYS  37          3HE       LYS  37  -1.426   2.690  10.911
  289    H    ILE  38           HN       ILE  38  -8.457   3.020   7.252
  290    HA   ILE  38           HA       ILE  38  -9.733   0.761   5.918
  291    HB   ILE  38           HB       ILE  38  -9.295   3.618   4.996
  292   1HG1  ILE  38          2HG1      ILE  38 -11.716   2.279   6.245
  293   2HG1  ILE  38          1HG1      ILE  38 -10.633   3.395   7.079
  294   1HG2  ILE  38          1HG2      ILE  38 -11.570   2.052   3.957
  295   2HG2  ILE  38          2HG2      ILE  38  -9.990   1.480   3.425
  296   3HG2  ILE  38          3HG2      ILE  38 -10.476   3.145   3.111
  297   1HD1  ILE  38          1HD1      ILE  38 -11.156   5.086   5.256
  298   2HD1  ILE  38          2HD1      ILE  38 -12.502   4.698   6.327
  299   3HD1  ILE  38          3HD1      ILE  38 -12.425   3.989   4.714
  300    H    MET  39           HN       MET  39  -8.684  -0.614   4.587
  301    HA   MET  39           HA       MET  39  -6.089   0.234   3.393
  302   1HB   MET  39          2HB       MET  39  -6.327  -1.895   4.799
  303   2HB   MET  39          1HB       MET  39  -7.256  -2.556   3.455
  304   1HG   MET  39          2HG       MET  39  -5.333  -2.098   1.941
  305   2HG   MET  39          1HG       MET  39  -4.403  -1.540   3.333
  306   1HE   MET  39          1HE       MET  39  -5.738  -4.521   1.300
  307   2HE   MET  39          2HE       MET  39  -6.953  -4.316   2.560
  308   3HE   MET  39          3HE       MET  39  -5.970  -5.778   2.524
  309    H    VAL  40           HN       VAL  40  -6.419   1.126   1.371
  310    HA   VAL  40           HA       VAL  40  -8.617   0.104  -0.317
  311    HB   VAL  40           HB       VAL  40  -6.616   2.290  -0.945
  312   1HG1  VAL  40          1HG1      VAL  40  -8.473   1.005  -2.556
  313   2HG1  VAL  40          2HG1      VAL  40  -7.798   2.606  -2.851
  314   3HG1  VAL  40          3HG1      VAL  40  -9.342   2.441  -2.015
  315   1HG2  VAL  40          1HG2      VAL  40  -7.781   2.859   1.118
  316   2HG2  VAL  40          2HG2      VAL  40  -9.331   2.414   0.405
  317   3HG2  VAL  40          3HG2      VAL  40  -8.457   3.823  -0.195
  318    H    VAL  41           HN       VAL  41  -8.250  -1.584  -1.603
  319    HA   VAL  41           HA       VAL  41  -5.609  -1.814  -2.970
  320    HB   VAL  41           HB       VAL  41  -5.907  -4.329  -2.755
  321   1HG1  VAL  41          1HG1      VAL  41  -5.664  -2.832  -0.132
  322   2HG1  VAL  41          2HG1      VAL  41  -4.377  -2.926  -1.334
  323   3HG1  VAL  41          3HG1      VAL  41  -4.947  -4.390  -0.536
  324   1HG2  VAL  41          1HG2      VAL  41  -8.320  -4.275  -2.191
  325   2HG2  VAL  41          2HG2      VAL  41  -7.943  -3.449  -0.680
  326   3HG2  VAL  41          3HG2      VAL  41  -7.392  -5.104  -0.941
  327    H    GLY  42           HN       GLY  42  -5.839  -2.053  -5.164
  328   1HA   GLY  42          2HA       GLY  42  -8.429  -1.928  -6.387
  329   2HA   GLY  42          1HA       GLY  42  -6.918  -2.230  -7.237
  330    H    ARG  43           HN       ARG  43  -9.443  -3.536  -7.750
  331    HA   ARG  43           HA       ARG  43  -9.802  -6.062  -6.609
  332   1HB   ARG  43          2HB       ARG  43 -11.325  -5.061  -8.275
  333   2HB   ARG  43          1HB       ARG  43 -10.115  -5.319  -9.531
  334   1HG   ARG  43          2HG       ARG  43 -10.734  -7.728  -7.948
  335   2HG   ARG  43          1HG       ARG  43 -12.095  -7.112  -8.886
  336   1HD   ARG  43          2HD       ARG  43  -9.333  -7.705  -9.992
  337   2HD   ARG  43          1HD       ARG  43 -10.757  -8.725 -10.200
  338    HE   ARG  43           HE       ARG  43 -11.179  -5.987 -11.103
  339   1HH1  ARG  43          1HH2      ARG  43  -9.964  -9.135 -11.919
  340   2HH1  ARG  43          2HH2      ARG  43 -10.195  -8.911 -13.619
  341   1HH2  ARG  43          1HH1      ARG  43 -11.469  -5.707 -13.314
  342   2HH2  ARG  43          2HH1      ARG  43 -11.040  -6.981 -14.406
  343    H    ARG  44           HN       ARG  44  -7.127  -5.026  -8.597
  344    HA   ARG  44           HA       ARG  44  -6.427  -7.695  -9.520
  345   1HB   ARG  44          2HB       ARG  44  -5.231  -4.975  -9.628
  346   2HB   ARG  44          1HB       ARG  44  -4.104  -6.327  -9.723
  347   1HG   ARG  44          2HG       ARG  44  -6.498  -6.683 -11.393
  348   2HG   ARG  44          1HG       ARG  44  -5.519  -5.291 -11.857
  349   1HD   ARG  44          2HD       ARG  44  -3.697  -6.588 -12.429
  350   2HD   ARG  44          1HD       ARG  44  -4.095  -7.847 -11.265
  351    HE   ARG  44           HE       ARG  44  -5.800  -8.673 -12.833
  352   1HH1  ARG  44          1HH1      ARG  44  -3.641  -6.221 -14.042
  353   2HH1  ARG  44          2HH1      ARG  44  -3.949  -6.614 -15.696
  354   1HH2  ARG  44          1HH2      ARG  44  -6.182  -9.158 -14.986
  355   2HH2  ARG  44          2HH2      ARG  44  -5.376  -8.260 -16.229
  356    H    THR  45           HN       THR  45  -5.251  -5.526  -6.932
  357    HA   THR  45           HA       THR  45  -3.341  -7.445  -5.913
  358    HB   THR  45           HB       THR  45  -4.634  -5.187  -4.362
  359    HG1  THR  45           HG1      THR  45  -2.468  -5.171  -6.189
  360   1HG2  THR  45          1HG2      THR  45  -3.277  -6.660  -3.000
  361   2HG2  THR  45          2HG2      THR  45  -2.369  -5.173  -3.271
  362   3HG2  THR  45          3HG2      THR  45  -1.973  -6.626  -4.188
  363    H    TYR  46           HN       TYR  46  -6.622  -6.460  -4.846
  364    HA   TYR  46           HA       TYR  46  -6.859  -8.182  -2.628
  365   1HB   TYR  46          2HB       TYR  46  -8.500  -6.388  -3.487
  366   2HB   TYR  46          1HB       TYR  46  -9.127  -7.644  -4.553
  367    HD1  TYR  46           HD1      TYR  46 -10.457  -9.459  -3.710
  368    HD2  TYR  46           HD2      TYR  46  -8.613  -6.673  -1.011
  369    HE1  TYR  46           HE1      TYR  46 -11.816 -10.366  -1.845
  370    HE2  TYR  46           HE2      TYR  46  -9.971  -7.581   0.855
  371    HH   TYR  46           HH       TYR  46 -12.409 -10.114   0.299
  372    H    GLU  47           HN       GLU  47  -7.062  -8.879  -6.065
  373    HA   GLU  47           HA       GLU  47  -8.109 -11.586  -5.644
  374   1HB   GLU  47          2HB       GLU  47  -7.320  -9.914  -7.987
  375   2HB   GLU  47          1HB       GLU  47  -7.277 -11.666  -8.188
  376   1HG   GLU  47          HG2       GLU  47  -9.683 -10.388  -6.926
  377   2HG   GLU  47          HG1       GLU  47  -9.507 -10.359  -8.681
  378    H    SER  48           HN       SER  48  -5.020 -10.053  -5.677
  379    HA   SER  48           HA       SER  48  -3.623 -12.647  -6.109
  380   1HB   SER  48          2HB       SER  48  -2.638  -9.788  -5.967
  381   2HB   SER  48          1HB       SER  48  -1.554 -11.174  -6.034
  382    HG   SER  48           HG       SER  48  -3.074 -10.015  -7.996
  383    H    PHE  49           HN       PHE  49  -4.646 -10.504  -3.633
  384    HA   PHE  49           HA       PHE  49  -2.815 -10.651  -1.580
  385   1HB   PHE  49          2HB       PHE  49  -5.669 -10.325  -1.805
  386   2HB   PHE  49          1HB       PHE  49  -5.305 -11.308  -0.388
  387    HD1  PHE  49           HD1      PHE  49  -4.846  -8.032  -1.991
  388    HD2  PHE  49           HD2      PHE  49  -4.018 -10.413   1.469
  389    HE1  PHE  49           HE1      PHE  49  -4.142  -6.004  -0.760
  390    HE2  PHE  49           HE2      PHE  49  -3.312  -8.386   2.699
  391    HZ   PHE  49           HZ       PHE  49  -3.377  -6.177   1.584
  392    HA   PRO  50           HA       PRO  50  -2.387 -14.995  -0.561
  393   1HB   PRO  50          2HB       PRO  50  -1.059 -14.590   1.833
  394   2HB   PRO  50          1HB       PRO  50  -0.288 -14.573   0.241
  395   1HG   PRO  50          2HG       PRO  50  -0.742 -12.371   2.065
  396   2HG   PRO  50          1HG       PRO  50   0.216 -12.409   0.580
  397   1HD   PRO  50          2HD       PRO  50  -2.426 -11.303   0.992
  398   2HD   PRO  50          1HD       PRO  50  -1.398 -11.204  -0.445
  399    H    LYS  51           HN       LYS  51  -2.895 -13.020   2.384
  400    HA   LYS  51           HA       LYS  51  -5.070 -14.922   3.158
  401   1HB   LYS  51          2HB       LYS  51  -2.830 -13.754   4.634
  402   2HB   LYS  51          1HB       LYS  51  -4.374 -13.476   5.439
  403   1HG   LYS  51          2HG       LYS  51  -3.993 -16.207   4.362
  404   2HG   LYS  51          1HG       LYS  51  -2.929 -15.772   5.699
  405   1HD   LYS  51          2HD       LYS  51  -4.631 -15.734   7.205
  406   2HD   LYS  51          1HD       LYS  51  -5.741 -14.961   6.073
  407   1HE   LYS  51          2HE       LYS  51  -6.061 -17.124   4.917
  408   2HE   LYS  51          1HE       LYS  51  -4.968 -17.894   6.066
  409   1HZ   LYS  51          1HE       LYS  51  -7.319 -18.172   6.655
  410   2HZ   LYS  51          2HE       LYS  51  -7.478 -16.486   6.798
  411   3HZ   LYS  51          3HE       LYS  51  -6.453 -17.338   7.852
  412    H    ARG  52           HN       ARG  52  -7.037 -14.029   2.869
  413    HA   ARG  52           HA       ARG  52  -7.468 -11.216   3.699
  414   1HB   ARG  52          2HB       ARG  52  -8.877 -10.902   1.573
  415   2HB   ARG  52          1HB       ARG  52  -7.126 -10.868   1.372
  416   1HG   ARG  52          2HG       ARG  52  -7.375 -13.435   0.940
  417   2HG   ARG  52          1HG       ARG  52  -9.067 -13.046   0.633
  418   1HD   ARG  52          2HD       ARG  52  -7.249 -11.188  -0.697
  419   2HD   ARG  52          1HD       ARG  52  -6.988 -12.852  -1.208
  420    HE   ARG  52           HE       ARG  52  -9.593 -11.409  -1.414
  421   1HH1  ARG  52          1HH1      ARG  52  -7.415 -13.957  -2.352
  422   2HH1  ARG  52          2HH1      ARG  52  -8.414 -14.477  -3.663
  423   1HH2  ARG  52          1HH2      ARG  52 -10.868 -12.100  -3.124
  424   2HH2  ARG  52          2HH2      ARG  52 -10.354 -13.437  -4.098
  425    HA   PRO  53           HA       PRO  53  -8.977  -9.845   3.933
  426   1HB   PRO  53          2HB       PRO  53 -10.614  -9.142   6.082
  427   2HB   PRO  53          1HB       PRO  53 -11.025  -8.960   4.371
  428   1HG   PRO  53          2HG       PRO  53 -12.189 -10.738   6.293
  429   2HG   PRO  53          1HG       PRO  53 -12.618 -10.531   4.589
  430   1HD   PRO  53          2HD       PRO  53 -11.039 -12.652   5.848
  431   2HD   PRO  53          1HD       PRO  53 -11.775 -12.608   4.237
  432    H    LEU  54           HN       LEU  54  -8.131  -8.470   5.840
  433    HA   LEU  54           HA       LEU  54  -6.328 -10.115   7.425
  434   1HB   LEU  54          2HB       LEU  54  -6.863  -7.136   7.346
  435   2HB   LEU  54          1HB       LEU  54  -5.631  -7.874   8.371
  436    HG   LEU  54           HG       LEU  54  -5.651  -8.606   5.478
  437   1HD1  LEU  54          1HD1      LEU  54  -3.938  -6.415   5.610
  438   2HD1  LEU  54          2HD1      LEU  54  -5.369  -5.872   6.485
  439   3HD1  LEU  54          3HD1      LEU  54  -5.517  -6.444   4.824
  440   1HD2  LEU  54          1HD2      LEU  54  -3.841  -8.622   7.796
  441   2HD2  LEU  54          2HD2      LEU  54  -3.076  -8.025   6.323
  442   3HD2  LEU  54          3HD2      LEU  54  -3.815  -9.626   6.346
  443    HA   PRO  55           HA       PRO  55  -8.603 -10.558  11.181
  444   1HB   PRO  55          2HB       PRO  55  -6.403 -10.148  12.930
  445   2HB   PRO  55          1HB       PRO  55  -7.027 -11.691  12.331
  446   1HG   PRO  55          2HG       PRO  55  -4.576 -10.384  11.647
  447   2HG   PRO  55          1HG       PRO  55  -5.186 -11.943  11.078
  448   1HD   PRO  55          2HD       PRO  55  -5.040  -9.453   9.639
  449   2HD   PRO  55          1HD       PRO  55  -5.572 -11.034   9.052
  450    H    GLU  56           HN       GLU  56  -9.922  -8.975  11.923
  451    HA   GLU  56           HA       GLU  56 -10.652  -6.899  12.753
  452   1HB   GLU  56          2HB       GLU  56  -8.002  -7.233  14.180
  453   2HB   GLU  56          1HB       GLU  56  -9.173  -5.976  14.579
  454   1HG   GLU  56          HG2       GLU  56 -10.339  -7.436  15.830
  455   2HG   GLU  56          HG1       GLU  56 -10.562  -8.478  14.425
  456    H    ARG  57           HN       ARG  57  -9.662  -6.569  10.234
  457    HA   ARG  57           HA       ARG  57  -8.294  -3.925  10.446
  458   1HB   ARG  57          2HB       ARG  57  -7.422  -6.338   8.955
  459   2HB   ARG  57          1HB       ARG  57  -7.319  -4.811   8.082
  460   1HG   ARG  57          2HG       ARG  57  -5.385  -4.421   9.156
  461   2HG   ARG  57          1HG       ARG  57  -6.327  -4.233  10.636
  462   1HD   ARG  57          2HD       ARG  57  -6.136  -6.998  10.304
  463   2HD   ARG  57          1HD       ARG  57  -4.541  -6.397   9.848
  464    HE   ARG  57           HE       ARG  57  -5.312  -5.079  12.233
  465   1HH1  ARG  57          1HH2      ARG  57  -4.506  -8.243  11.064
  466   2HH1  ARG  57          2HH2      ARG  57  -3.862  -8.769  12.581
  467   1HH2  ARG  57          1HH1      ARG  57  -4.471  -5.771  14.202
  468   2HH2  ARG  57          2HH1      ARG  57  -3.841  -7.378  14.349
  469    H    THR  58           HN       THR  58  -9.166  -2.370   9.103
  470    HA   THR  58           HA       THR  58 -11.621  -3.064   7.653
  471    HB   THR  58           HB       THR  58 -10.269  -0.373   7.541
  472    HG1  THR  58           HG1      THR  58 -11.925  -1.296   9.643
  473   1HG2  THR  58          1HG2      THR  58 -13.192  -1.047   7.859
  474   2HG2  THR  58          2HG2      THR  58 -12.414  -1.023   6.277
  475   3HG2  THR  58          3HG2      THR  58 -12.472   0.444   7.253
  476    H    ASN  59           HN       ASN  59 -11.485  -3.850   5.603
  477    HA   ASN  59           HA       ASN  59  -9.243  -2.861   3.884
  478   1HB   ASN  59          2HB       ASN  59 -10.614  -5.539   3.571
  479   2HB   ASN  59          1HB       ASN  59  -9.092  -5.008   2.855
  480   1HD2  ASN  59          1HD2      ASN  59  -7.971  -3.813   5.275
  481   2HD2  ASN  59          2HD2      ASN  59  -7.620  -5.083   6.345
  482    H    VAL  60           HN       VAL  60  -9.887  -1.882   1.992
  483    HA   VAL  60           HA       VAL  60 -12.723  -2.286   1.138
  484    HB   VAL  60           HB       VAL  60 -11.069   0.242   0.846
  485   1HG1  VAL  60          1HG1      VAL  60 -13.038   1.249   0.021
  486   2HG1  VAL  60          2HG1      VAL  60 -14.063  -0.051   0.628
  487   3HG1  VAL  60          3HG1      VAL  60 -13.017  -0.330  -0.763
  488   1HG2  VAL  60          1HG2      VAL  60 -12.959  -0.709   2.978
  489   2HG2  VAL  60          2HG2      VAL  60 -12.901   1.008   2.583
  490   3HG2  VAL  60          3HG2      VAL  60 -11.449   0.181   3.145
  491    H    VAL  61           HN       VAL  61 -12.942  -2.887  -0.999
  492    HA   VAL  61           HA       VAL  61 -10.427  -3.078  -2.582
  493    HB   VAL  61           HB       VAL  61 -13.085  -4.384  -3.200
  494   1HG1  VAL  61          1HG1      VAL  61 -11.735  -4.546  -5.103
  495   2HG1  VAL  61          2HG1      VAL  61 -11.332  -6.033  -4.244
  496   3HG1  VAL  61          3HG1      VAL  61 -10.248  -4.644  -4.160
  497   1HG2  VAL  61          1HG2      VAL  61 -12.420  -5.118  -0.977
  498   2HG2  VAL  61          2HG2      VAL  61 -10.765  -5.390  -1.523
  499   3HG2  VAL  61          3HG2      VAL  61 -12.071  -6.414  -2.121
  500    H    LEU  62           HN       LEU  62 -10.406  -2.425  -4.796
  501    HA   LEU  62           HA       LEU  62 -12.518  -0.426  -5.504
  502   1HB   LEU  62          2HB       LEU  62  -9.759  -0.016  -5.160
  503   2HB   LEU  62          1HB       LEU  62  -9.986  -0.077  -6.907
  504    HG   LEU  62           HG       LEU  62 -11.816   1.604  -6.695
  505   1HD1  LEU  62          1HD1      LEU  62 -10.890   2.178  -3.904
  506   2HD1  LEU  62          2HD1      LEU  62 -12.072   0.894  -4.152
  507   3HD1  LEU  62          3HD1      LEU  62 -12.438   2.541  -4.666
  508   1HD2  LEU  62          1HD2      LEU  62 -10.354   3.417  -6.648
  509   2HD2  LEU  62          2HD2      LEU  62  -9.219   2.090  -6.899
  510   3HD2  LEU  62          3HD2      LEU  62  -9.436   2.772  -5.288
  511    H    THR  63           HN       THR  63 -13.700  -1.096  -7.236
  512    HA   THR  63           HA       THR  63 -12.332  -2.509  -9.452
  513    HB   THR  63           HB       THR  63 -13.124  -4.326  -8.007
  514    HG1  THR  63           HG1      THR  63 -13.433  -4.321 -10.387
  515   1HG2  THR  63          1HG2      THR  63 -15.962  -3.464  -8.394
  516   2HG2  THR  63          2HG2      THR  63 -15.017  -2.697  -7.119
  517   3HG2  THR  63          3HG2      THR  63 -15.256  -4.443  -7.109
  518    H    HIS  64           HN       HIS  64 -13.651  -2.529 -11.424
  519    HA   HIS  64           HA       HIS  64 -15.521  -0.221 -11.487
  520   1HB   HIS  64          2HB       HIS  64 -13.678  -1.501 -13.409
  521   2HB   HIS  64          1HB       HIS  64 -15.223  -1.003 -14.095
  522    HD1  HIS  64           HD1      HIS  64 -15.901   1.589 -13.019
  523    HD2  HIS  64           HD2      HIS  64 -11.896   0.586 -13.596
  524    HE1  HIS  64           HE1      HIS  64 -14.624   3.774 -13.127
  525    H    GLN  65           HN       GLN  65 -15.886  -3.382 -10.858
  526    HA   GLN  65           HA       GLN  65 -17.997  -4.035 -12.779
  527   1HB   GLN  65          2HB       GLN  65 -16.825  -5.384 -10.352
  528   2HB   GLN  65          1HB       GLN  65 -18.322  -5.978 -11.071
  529   1HG   GLN  65          2HG       GLN  65 -16.48