*HEADER    METAL BINDING PROTEIN                   17-OCT-00   1G25              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF THE HUMAN              
*TITLE    2 TFIIH MAT1 SUBUNIT                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CDK-ACTIVATING KINASE ASSEMBLY FACTOR MAT1;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN;                                         
*COMPND   5 SYNONYM: RING FINGER PROTEIN MAT1;                                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: MAT1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 LAMBDA (DE3);                         
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T2                                  
*KEYWDS    RING FINGER (C3HC4)                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    V.GERVAIS, E.WASIELEWSKI, D.BUSSO, A.POTERSZMAN, J.M.EGLY,            
*AUTHOR   2 J.C.THIERRY, B.KIEFFER                                               
*REVDAT   1   01-NOV-00 1G25    0                                                
!! NOE RESTRAINTS :
assign (resid  25 and name    HN ) ( resid  26 and name    HN )  3.31  1.37  1.37 ! 22  
assign (resid  31 and name    HN ) ( resid  34 and name    HN )  3.40  1.44  1.44 ! 38  
assign (resid  31 and name    HN ) ( resid  35 and name    HN )  3.89  1.89  1.89 ! 39  
assign (resid  31 and name    HN ) ( resid   6 and name    HN )  4.78  2.85  1.22 ! 40  
assign (resid  31 and name    HN ) ( resid  32 and name    HN )  3.71  1.72  1.72 ! 41  
assign (resid  29 and name    HN ) ( resid  28 and name    HN )  4.35  2.37  1.65 ! 57  
assign (resid  23 and name    HN ) ( resid  59 and name    HN )  2.70  0.87  0.87 ! 60  
assign (resid  23 and name    HN ) ( resid  24 and name    HN )  4.67  2.72  1.33 ! 62  
assign (resid  59 and name    HN ) ( resid  58 and name   HD# )  3.17  1.26  2.26 ! 74  
assign (resid  46 and name    HN ) ( resid  50 and name    HN )  3.69  1.70  1.70 ! 75  
assign (resid  46 and name    HN ) ( resid  51 and name    HN )  3.24  1.31  1.31 ! 77  
assign (resid  59 and name    HN ) ( resid  58 and name    HN )  4.87  2.96  1.13 ! 90  
assign (resid  53 and name    HN ) ( resid  44 and name    HN )  3.22  1.30  1.30 ! 116 
assign (resid  34 and name    HN ) ( resid  35 and name    HN )  2.70  0.68  0.68 ! 127 
assign (resid  34 and name    HN ) ( resid  32 and name    HN )  4.22  2.23  1.78 ! 128 
assign (resid  34 and name    HN ) ( resid  33 and name    HN )  2.70  0.64  0.64 ! 129 
assign (resid  34 and name    HN ) ( resid  37 and name    HN )  4.55  2.58  1.45 ! 140 
assign (resid  13 and name    HN ) ( resid  14 and name    HN )  2.71  0.92  0.92 ! 151 
assign (resid  55 and name    HN ) ( resid  57 and name  HD2# )  3.76  1.76  3.77 ! 159 
assign (resid  48 and name    HN ) ( resid  50 and name    HN )  3.04  1.15  1.15 ! 166 
assign (resid  48 and name    HN ) ( resid  49 and name    HN )  2.70  0.61  1.61 ! 167 
assign (resid  20 and name    HN ) ( resid  32 and name    HN )  3.17  1.26  1.26 ! 181 
assign (resid  20 and name    HN ) ( resid  19 and name    HN )  3.52  1.55  1.55 ! 182 
assign (resid  22 and name    HN ) ( resid  31 and name    HN )  4.18  2.18  1.82 ! 195 
assign (resid  22 and name    HN ) ( resid  23 and name    HN )  3.47  1.50  1.50 ! 196 
assign (resid  22 and name    HN ) ( resid  30 and name    HN )  2.95  1.09  1.09 ! 197 
assign (resid  35 and name    HN ) ( resid  36 and name    HN )  2.70  0.73  0.73 ! 236 
assign (resid  35 and name    HN ) ( resid  33 and name    HN )  3.56  1.59  1.59 ! 238 
assign (resid  35 and name    HN ) ( resid  39 and name   HD# )  4.22  2.23  2.78 ! 241 
assign (resid  21 and name    HN ) ( resid  22 and name    HN )  3.69  1.71  1.71 ! 262 
assign (resid  63 and name    HN ) ( resid  62 and name    HN )  3.59  1.61  1.61 ! 267 
assign (resid  50 and name    HN ) ( resid  51 and name    HN )  3.05  1.16  1.16 ! 292 
assign (resid  50 and name    HN ) ( resid  49 and name    HN )  2.70  0.61  0.61 ! 293 
assign (resid   6 and name    HN ) ( resid   5 and name    HN )  4.72  2.79  1.28 ! 303 
assign (resid   6 and name    HN ) ( resid  10 and name    HN )  4.02  2.02  1.98 ! 304 
assign (resid  44 and name    HN ) ( resid  43 and name    HN )  5.00  3.12  1.00 ! 320 
assign (resid  44 and name    HN ) ( resid  39 and name   HD# )  3.21  1.29  2.29 ! 321 
assign (resid  44 and name    HN ) ( resid  39 and name   HE# )  2.75  0.95  2.95 ! 322 
assign (resid  62 and name    HN ) ( resid  61 and name    HN )  3.83  1.84  1.84 ! 331 
assign (resid  38 and name    HN ) ( resid  37 and name    HN )  2.70  0.66  0.66 ! 355 
assign (resid  12 and name    HN ) ( resid   6 and name    HN )  3.50  1.53  2.03 ! 382 
assign (resid  36 and name    HN ) ( resid  37 and name    HN )  2.70  0.73  0.73 ! 392 
assign (resid  28 and name    HN ) ( resid  27 and name    HN )  2.70  0.89  0.89 ! 402 
assign (resid  28 and name    HN ) ( resid  26 and name    HN )  3.93  1.94  1.94 ! 404 
assign (resid   9 and name    HN ) ( resid  10 and name    HN )  2.70  0.61  1.61 ! 416 
assign (resid  65 and name    HN ) ( resid  64 and name    HN )  3.26  1.33  1.33 ! 438 
assign (resid  16 and name    HN ) ( resid  14 and name    HN )  4.98  3.10  1.02 ! 439 
assign (resid  49 and name    HN ) ( resid  46 and name    HN )  4.62  2.66  1.38 ! 463 
assign (resid  33 and name    HN ) ( resid  32 and name    HN )  2.76  0.95  0.95 ! 478 
assign (resid  57 and name  HD2# ) ( resid  39 and name   HE# )  2.70  0.83  3.91 ! 505 
assign (resid  37 and name    HN ) ( resid  35 and name    HN )  3.77  1.78  1.78 ! 517 
assign (resid  43 and name    HN ) ( resid  42 and name    HN )  4.57  2.62  1.43 ! 537 
assign (resid  14 and name    HN ) ( resid  15 and name    HN )  2.86  1.02  1.02 ! 541 
assign (resid  27 and name    HN ) ( resid  26 and name    HN )  2.70  0.68  0.68 ! 553 
assign (resid  19 and name    HN ) ( resid  18 and name    HN )  3.04  1.16  1.16 ! 592 
assign (resid  15 and name    HN ) ( resid  16 and name    HN )  2.70  0.72  0.72 ! 630 
assign (resid  40 and name    HN ) ( resid  41 and name    HN )  3.75  1.76  1.76 ! 643 
assign (resid  58 and name   HD# ) ( resid  23 and name    HN )  2.83  1.00  3.00 ! 671 
assign (resid  58 and name   HD# ) ( resid  24 and name  HD## )  2.70  0.61  5.41 ! 676 
assign (resid  28 and name   HD2 ) ( resid  29 and name    HN )  3.49  1.52  1.52 ! 697 
assign (resid  39 and name   HE# ) ( resid  58 and name   HE# )  2.92  1.07  3.07 ! 741 
assign (resid  58 and name   HE# ) ( resid  24 and name  HD## )  2.70  0.61  5.41 ! 798 
assign (resid  58 and name   HE# ) ( resid  57 and name  HD2# )  4.40  2.42  4.60 ! 799 
assign (resid  24 and name  HD## ) ( resid  39 and name   HE# )  3.79  1.79  6.30 ! 822 
assign (resid  30 and name    HA ) ( resid   7 and name   HD# )  2.70  0.82  1.82 ! 839 
assign (resid  31 and name    HA ) ( resid  22 and name    HN )  2.70  0.81  0.81 ! 842 
assign (resid  31 and name    HA ) ( resid  21 and name    HN )  4.15  2.15  1.85 ! 843 
assign (resid  31 and name    HA ) ( resid  32 and name    HN )  2.70  0.61  0.61 ! 844 
assign (resid  31 and name    HA ) ( resid  33 and name    HN )  3.67  1.68  1.68 ! 845 
assign (resid  31 and name    HA ) ( resid  21 and name    HA )  2.20  0.61  0.61 ! 846 
assign (resid  31 and name    HA ) ( resid   6 and name   HB1 )  3.21  1.29  1.29 ! 849 
assign (resid  31 and name    HA ) ( resid  22 and name   HG# )  4.26  2.27  2.74 ! 850 
assign (resid  31 and name    HA ) ( resid  21 and name  HD## )  2.70  0.70  4.41 ! 853 
assign (resid  22 and name    HA ) ( resid  23 and name    HN )  2.20  0.61  0.61 ! 856 
assign (resid  22 and name    HA ) ( resid  59 and name    HN )  3.97  1.97  1.97 ! 857 
assign (resid  22 and name    HA ) ( resid  58 and name   HD# )  3.51  1.54  2.54 ! 859 
assign (resid  45 and name    HA ) ( resid  46 and name    HN )  2.70  0.61  0.61 ! 869 
assign (resid  45 and name    HA ) ( resid  53 and name    HN )  2.88  1.04  1.04 ! 870 
assign (resid  45 and name    HA ) ( resid  53 and name   HB1 )  3.55  1.57  1.57 ! 876 
assign (resid  43 and name    HA ) ( resid  44 and name    HN )  2.70  0.63  0.63 ! 880 
assign (resid  43 and name    HA ) ( resid  39 and name   HD# )  2.71  0.92  2.92 ! 882 
assign (resid  43 and name    HA ) ( resid  39 and name   HE# )  3.47  1.50  2.51 ! 883 
assign (resid  16 and name    HA ) ( resid  18 and name    HN )  3.38  1.43  1.43 ! 891 
assign (resid  13 and name    HA ) ( resid  19 and name    HN )  3.29  1.35  1.35 ! 892 
assign (resid  49 and name    HA ) ( resid  50 and name    HN )  3.08  1.18  1.18 ! 897 
assign (resid  49 and name    HA ) ( resid  51 and name    HN )  4.69  2.75  1.31 ! 898 
assign (resid  29 and name    HA ) ( resid  30 and name    HN )  2.20  0.61  0.61 ! 904 
assign (resid  29 and name    HA ) ( resid  22 and name    HN )  4.00  2.00  2.00 ! 905 
assign (resid  29 and name    HA ) ( resid  24 and name    HN )  4.28  2.29  1.72 ! 906 
assign (resid  29 and name    HA ) ( resid  23 and name    HB )  3.17  1.26  1.26 ! 908 
assign (resid  30 and name    HA ) ( resid  31 and name    HN )  2.20  0.61  0.61 ! 917 
assign (resid  30 and name    HA ) ( resid  35 and name    HN )  3.74  1.75  1.75 ! 919 
assign (resid  30 and name    HA ) ( resid  31 and name    HA )  3.87  1.88  1.88 ! 920 
assign (resid  30 and name    HA ) ( resid  34 and name   HB1 )  3.66  1.68  1.68 ! 922 
assign (resid  30 and name    HA ) ( resid  31 and name   HB2 )  3.76  1.76  1.76 ! 923 
assign (resid  30 and name    HA ) ( resid   6 and name   HB1 )  4.10  2.10  1.90 ! 925 
assign (resid  30 and name    HA ) ( resid  29 and name  HG2# )  3.13  1.22  2.22 ! 928 
assign (resid  24 and name    HA ) ( resid  25 and name    HN )  2.84  1.01  1.01 ! 933 
assign (resid  24 and name    HA ) ( resid  59 and name    HN )  3.52  1.55  1.55 ! 934 
assign (resid  24 and name    HA ) ( resid  25 and name    HA )  3.67  1.69  1.69 ! 935 
assign (resid  55 and name    HA ) ( resid  43 and name   HB# )  3.13  1.23  2.23 ! 941 
assign (resid  56 and name    HA ) ( resid  44 and name    HN )  4.18  2.18  1.82 ! 943 
assign (resid  56 and name    HA ) ( resid  39 and name   HE# )  4.44  2.47  2.56 ! 944 
assign (resid  57 and name    HA ) ( resid  58 and name    HN )  3.19  1.27  1.27 ! 949 
assign (resid  23 and name    HA ) ( resid  30 and name    HN )  3.75  1.76  1.76 ! 955 
assign (resid  23 and name    HA ) ( resid  24 and name    HN )  2.20  0.61  0.61 ! 956 
assign (resid  23 and name    HA ) ( resid  58 and name   HD# )  3.13  1.22  2.22 ! 957 
assign (resid  23 and name    HA ) ( resid  29 and name    HA )  2.20  0.99  0.99 ! 958 
assign (resid   2 and name    HA ) ( resid   6 and name    HN )  3.31  1.37  1.37 ! 963 
assign (resid   2 and name    HA ) ( resid   5 and name    HN )  4.01  2.01  1.99 ! 964 
assign (resid   2 and name    HA ) ( resid  14 and name    HN )  3.76  1.77  1.77 ! 965 
assign (resid   2 and name    HA ) ( resid   5 and name   HA# )  2.70  0.73  1.73 ! 969 
assign (resid  59 and name    HA ) ( resid  60 and name    HN )  4.44  2.47  1.56 ! 977 
assign (resid   9 and name    HA ) ( resid  10 and name    HN )  3.98  1.98  1.98 ! 980 
assign (resid   6 and name    HA ) ( resid  31 and name    HN )  3.49  1.53  1.53 ! 983 
assign (resid   6 and name    HA ) ( resid   8 and name    HN )  3.86  1.86  1.86 ! 984 
assign (resid   6 and name    HA ) ( resid   7 and name   HD# )  2.70  0.61  1.60 ! 986 
assign (resid   6 and name    HA ) ( resid  31 and name   HB2 )  3.29  1.36  1.36 ! 989 
assign (resid   6 and name    HA ) ( resid  29 and name  HG2# )  3.01  1.13  2.13 ! 991 
assign (resid  63 and name    HA ) ( resid  64 and name    HN )  2.70  0.71  0.71 ! 994 
assign (resid  58 and name    HA ) ( resid  23 and name    HN )  3.71  1.72  1.72 ! 996 
assign (resid  58 and name    HA ) ( resid  59 and name    HN )  2.20  0.61  0.61 ! 997 
assign (resid  26 and name    HA ) ( resid  27 and name    HN )  2.81  0.99  0.99 ! 1000
assign (resid  58 and name    HA ) ( resid  57 and name  HD2# )  4.59  2.63  3.41 ! 1004
assign (resid  17 and name    HA ) ( resid  13 and name    HA )  3.44  1.48  1.48 ! 1005
assign (resid  20 and name    HA ) ( resid  21 and name    HN )  2.70  0.61  0.61 ! 1017
assign (resid   3 and name    HA ) ( resid   4 and name    HN )  2.70  0.84  0.84 ! 1020
assign (resid   2 and name   HB# ) ( resid  14 and name    HN )  2.70  0.74  1.74 ! 1021
assign (resid   2 and name   HB# ) ( resid  14 and name   HD# )  3.23  1.30  3.30 ! 1024
assign (resid  18 and name    HA ) ( resid  19 and name    HN )  2.97  1.10  1.10 ! 1040
assign (resid  48 and name   HB1 ) ( resid  50 and name    HN )  4.97  3.08  1.03 ! 1043
assign (resid  42 and name   HA# ) ( resid  43 and name    HN )  3.59  1.61  2.61 ! 1044
assign (resid  46 and name    HA ) ( resid  48 and name    HN )  2.70  0.91  0.91 ! 1049
assign (resid  46 and name    HA ) ( resid  51 and name    HN )  5.00  3.12  1.00 ! 1050
assign (resid  47 and name   HD# ) ( resid  39 and name   HE# )  3.46  1.50  3.50 ! 1051
assign (resid  47 and name   HD# ) ( resid  39 and name    HZ )  2.82  0.99  1.99 ! 1052
assign (resid  21 and name    HA ) ( resid  31 and name    HN )  3.76  1.77  1.77 ! 1062
assign (resid  21 and name    HA ) ( resid  30 and name    HN )  3.83  1.83  1.83 ! 1063
assign (resid  21 and name    HA ) ( resid  22 and name    HN )  2.20  0.61  0.61 ! 1064
assign (resid  21 and name    HA ) ( resid  32 and name    HN )  2.87  1.03  1.03 ! 1066
assign (resid  47 and name    HA ) ( resid  48 and name    HN )  3.05  1.17  1.17 ! 1075
assign (resid   8 and name    HA ) ( resid   9 and name    HN )  3.06  1.17  1.17 ! 1085
assign (resid  62 and name    HA ) ( resid  63 and name    HN )  2.70  0.61  0.61 ! 1094
assign (resid  62 and name    HA ) ( resid  63 and name   HD# )  3.43  1.47  2.47 ! 1096
assign (resid  62 and name    HA ) ( resid  20 and name   HE# )  3.67  1.68  2.68 ! 1098
assign (resid  51 and name    HA ) ( resid  52 and name   HD# )  2.70  0.61  1.60 ! 1106
assign (resid  64 and name    HA ) ( resid  65 and name    HN )  2.70  0.68  0.68 ! 1113
assign (resid  33 and name    HA ) ( resid  34 and name    HN )  3.01  1.13  1.13 ! 1116
assign (resid  33 and name    HA ) ( resid  37 and name    HN )  3.90  1.90  1.90 ! 1117
assign (resid  33 and name    HA ) ( resid  36 and name    HN )  2.94  1.08  1.08 ! 1119
assign (resid  33 and name    HA ) ( resid  36 and name   HB2 )  2.70  0.65  1.65 ! 1121
assign (resid  13 and name    HA ) ( resid  16 and name    HN )  2.74  0.94  0.94 ! 1134
assign (resid  13 and name    HA ) ( resid  14 and name    HN )  3.05  1.17  1.17 ! 1135
assign (resid  16 and name   HB2 ) ( resid  19 and name    HN )  3.22  1.30  1.30 ! 1136
assign (resid  50 and name   HA# ) ( resid  51 and name    HN )  3.05  1.17  2.17 ! 1144
assign (resid  36 and name    HA ) ( resid  39 and name    HN )  3.26  1.33  1.33 ! 1145
assign (resid  48 and name    HA ) ( resid  49 and name    HN )  3.01  1.13  1.13 ! 1147
assign (resid  36 and name    HA ) ( resid  37 and name    HN )  3.07  1.17  1.17 ! 1148
assign (resid  36 and name    HA ) ( resid  40 and name    HN )  3.36  1.42  1.42 ! 1149
assign (resid  36 and name    HA ) ( resid  39 and name   HB1 )  3.56  1.58  1.58 ! 1152
assign (resid   5 and name   HA# ) ( resid   6 and name   HB1 )  4.33  2.35  2.67 ! 1156
assign (resid  16 and name    HA ) ( resid  19 and name    HN )  4.68  2.74  1.32 ! 1163
assign (resid  12 and name    HA ) ( resid  13 and name    HN )  3.53  1.56  1.56 ! 1165
assign (resid  61 and name    HA ) ( resid  63 and name    HN )  4.63  2.68  1.37 ! 1182
assign (resid  61 and name    HA ) ( resid  62 and name    HN )  2.70  0.61  0.61 ! 1183
assign (resid  14 and name    HA ) ( resid  15 and name    HE )  2.70  0.61  1.31 ! 1187
assign (resid  51 and name    HB ) ( resid  46 and name    HN )  3.86  1.86  1.86 ! 1192
assign (resid  51 and name    HB ) ( resid  46 and name   HB1 )  3.03  1.15  1.15 ! 1195
assign (resid  51 and name    HB ) ( resid  26 and name   HB2 )  2.89  1.04  1.04 ! 1196
assign (resid  60 and name    HA ) ( resid  23 and name    HN )  3.29  1.35  1.35 ! 1198
assign (resid  60 and name    HA ) ( resid  61 and name    HN )  2.20  0.61  0.61 ! 1199
assign (resid  37 and name    HA ) ( resid  38 and name    HN )  3.07  1.18  1.18 ! 1201
assign (resid  15 and name    HA ) ( resid  16 and name    HN )  2.75  0.94  0.94 ! 1202
assign (resid  37 and name    HA ) ( resid  40 and name    HN )  2.76  0.95  0.95 ! 1204
assign (resid  60 and name    HA ) ( resid  22 and name    HA )  2.20  0.61  0.61 ! 1205
assign (resid  60 and name    HA ) ( resid  22 and name   HG# )  2.89  1.05  2.05 ! 1208
assign (resid  10 and name    HA ) ( resid   6 and name    HN )  3.46  1.50  1.50 ! 1214
assign (resid  10 and name    HA ) ( resid   6 and name   HB2 )  3.03  1.14  1.14 ! 1218
assign (resid   7 and name   HD# ) ( resid   6 and name   HB1 )  3.46  1.49  2.49 ! 1225
assign (resid   7 and name   HD# ) ( resid  31 and name    HN )  3.97  1.97  2.97 ! 1226
assign (resid   7 and name   HD# ) ( resid   8 and name    HN )  2.79  0.97  1.97 ! 1227
assign (resid   7 and name   HD# ) ( resid  29 and name  HG2# )  2.76  0.95  2.95 ! 1235
assign (resid  38 and name    HA ) ( resid   8 and name   HG# )  3.65  1.66  2.67 ! 1239
assign (resid  40 and name    HA ) ( resid  41 and name    HN )  2.90  1.05  1.05 ! 1243
assign (resid  38 and name    HA ) ( resid  39 and name    HN )  2.70  0.64  0.64 ! 1244
assign (resid  33 and name   HB1 ) ( resid  34 and name    HN )  2.70  0.82  0.82 ! 1254
assign (resid  12 and name    HB ) ( resid   6 and name    HN )  3.53  1.56  1.56 ! 1255
assign (resid  52 and name   HD# ) ( resid  51 and name    HN )  3.25  1.32  2.32 ! 1256
assign (resid  11 and name    HB ) ( resid  15 and name    HE )  3.54  1.56  1.56 ! 1259
assign (resid  12 and name    HB ) ( resid   6 and name   HB2 )  3.20  1.28  1.28 ! 1262
assign (resid  12 and name    HB ) ( resid   6 and name   HB1 )  3.18  1.26  1.26 ! 1263
assign (resid  12 and name    HB ) ( resid  19 and name  HD## )  2.82  0.99  4.49 ! 1267
assign (resid  52 and name   HD# ) ( resid  51 and name  HG2# )  2.70  0.71  2.71 ! 1271
assign (resid  33 and name   HB2 ) ( resid  34 and name    HN )  2.70  0.85  0.85 ! 1272
assign (resid  47 and name   HD# ) ( resid  46 and name    HN )  3.96  1.96  2.96 ! 1278
assign (resid  47 and name   HD# ) ( resid  48 and name    HN )  3.48  1.52  2.52 ! 1279
assign (resid  47 and name   HD# ) ( resid  46 and name   HB1 )  3.95  1.95  2.95 ! 1284
assign (resid  29 and name    HB ) ( resid  30 and name    HN )  3.06  1.17  1.17 ! 1288
assign (resid  19 and name    HA ) ( resid  20 and name    HN )  2.70  0.61  1.61 ! 1295
assign (resid  19 and name    HA ) ( resid  16 and name  HD2# )  3.09  1.19  2.19 ! 1298
assign (resid  34 and name    HA ) ( resid  35 and name    HN )  3.11  1.21  1.21 ! 1305
assign (resid  34 and name    HA ) ( resid  38 and name    HN )  3.24  1.31  1.31 ! 1306
assign (resid  34 and name    HA ) ( resid  37 and name    HN )  2.70  0.87  0.87 ! 1307
assign (resid  34 and name    HA ) ( resid  33 and name    HN )  4.92  3.02  1.08 ! 1308
assign (resid  25 and name    HA ) ( resid  26 and name    HN )  2.96  1.09  1.09 ! 1320
assign (resid  44 and name   HA# ) ( resid  55 and name    HN )  3.65  1.67  2.67 ! 1326
assign (resid  44 and name   HA# ) ( resid  45 and name    HN )  2.79  0.98  1.98 ! 1327
assign (resid   5 and name   HA# ) ( resid   6 and name    HN )  2.70  0.62  1.62 ! 1328
assign (resid  27 and name   HA# ) ( resid  28 and name    HN )  2.90  1.05  2.05 ! 1340
assign (resid  50 and name   HA# ) ( resid  46 and name    HN )  4.20  2.21  2.80 ! 1359
assign (resid  50 and name   HA# ) ( resid  49 and name    HN )  4.00  2.00  3.00 ! 1361
assign (resid  14 and name    HA ) ( resid  15 and name    HN )  2.97  1.10  1.10 ! 1362
assign (resid  50 and name   HA# ) ( resid  45 and name   HB2 )  3.19  1.27  2.27 ! 1364
assign (resid  50 and name   HA# ) ( resid  45 and name   HB1 )  2.70  0.88  1.88 ! 1365
assign (resid  32 and name    HA ) ( resid  34 and name    HN )  3.88  1.88  1.88 ! 1372
assign (resid  32 and name    HA ) ( resid  35 and name    HN )  2.70  0.88  0.88 ! 1373
assign (resid  32 and name    HA ) ( resid  36 and name    HN )  3.09  1.20  1.20 ! 1375
assign (resid  32 and name    HA ) ( resid  33 and name    HN )  2.95  1.08  1.08 ! 1376
assign (resid  56 and name   HB# ) ( resid  39 and name   HD# )  3.96  1.96  3.96 ! 1377
assign (resid  32 and name    HA ) ( resid  31 and name    HA )  3.45  1.49  1.49 ! 1378
assign (resid  32 and name    HA ) ( resid  35 and name    HB )  2.70  0.61  1.61 ! 1386
assign (resid  32 and name    HA ) ( resid  35 and name  HG1# )  2.80  0.98  1.98 ! 1390
assign (resid  32 and name    HA ) ( resid  35 and name  HG2# )  2.70  0.80  1.80 ! 1391
assign (resid  56 and name   HB# ) ( resid  58 and name    HN )  3.67  1.68  2.68 ! 1393
assign (resid  56 and name   HB# ) ( resid  58 and name   HD# )  2.70  0.61  2.91 ! 1394
assign (resid  56 and name   HB# ) ( resid  39 and name   HE# )  4.38  2.40  3.62 ! 1395
assign (resid  56 and name   HB# ) ( resid  24 and name  HD## )  2.93  1.08  5.57 ! 1396
assign (resid   6 and name   HB2 ) ( resid  31 and name   HB2 )  2.70  0.72  0.72 ! 1400
assign (resid   6 and name   HB2 ) ( resid  31 and name    HN )  3.49  1.52  1.52 ! 1401
assign (resid   6 and name   HB2 ) ( resid   8 and name    HN )  3.75  1.76  1.76 ! 1402
assign (resid   6 and name   HB2 ) ( resid  12 and name    HN )  2.70  0.66  0.91 ! 1405
assign (resid  27 and name   HA# ) ( resid  28 and name   HD2 )  5.00  3.12  2.00 ! 1407
assign (resid   8 and name   HD# ) ( resid  34 and name   HB2 )  2.71  0.92  1.92 ! 1411
assign (resid   6 and name   HB2 ) ( resid  12 and name  HG2# )  3.12  1.22  2.22 ! 1414
assign (resid   6 and name   HB2 ) ( resid  19 and name  HD## )  3.80  1.80  5.30 ! 1415
assign (resid   6 and name   HB2 ) ( resid  21 and name  HD## )  3.11  1.21  4.71 ! 1416
assign (resid  17 and name   HD# ) ( resid  16 and name    HN )  3.44  1.48  2.48 ! 1419
assign (resid  27 and name   HA# ) ( resid  26 and name    HN )  4.24  2.25  2.76 ! 1423
assign (resid  31 and name   HB1 ) ( resid  34 and name    HN )  3.94  1.94  1.94 ! 1426
assign (resid  31 and name   HB1 ) ( resid  20 and name    HN )  3.50  1.53  2.03 ! 1427
assign (resid  31 and name   HB1 ) ( resid  32 and name    HN )  2.70  0.61  0.61 ! 1428
assign (resid  31 and name   HB1 ) ( resid  33 and name    HN )  2.91  1.06  1.06 ! 1429
assign (resid  31 and name   HB1 ) ( resid  21 and name    HA )  3.02  1.14  2.14 ! 1431
assign (resid  31 and name   HB1 ) ( resid  19 and name  HD## )  2.70  0.77  4.41 ! 1434
assign (resid  31 and name   HB1 ) ( resid   6 and name   HB1 )  2.77  0.96  0.96 ! 1436
assign (resid  31 and name   HB1 ) ( resid  11 and name  HG2# )  4.10  2.10  2.90 ! 1438
assign (resid  28 and name   HB2 ) ( resid  29 and name    HN )  2.74  0.94  0.94 ! 1444
assign (resid  46 and name   HB1 ) ( resid  51 and name  HG2# )  3.38  1.43  2.43 ! 1448
assign (resid  35 and name    HA ) ( resid  39 and name   HE# )  2.70  0.90  2.90 ! 1453
assign (resid  35 and name    HA ) ( resid  39 and name    HZ )  4.13  2.13  1.87 ! 1454
assign (resid  35 and name    HA ) ( resid  38 and name    HN )  2.72  0.92  0.92 ! 1456
assign (resid  35 and name    HA ) ( resid  36 and name    HN )  3.02  1.14  1.14 ! 1457
assign (resid  35 and name    HA ) ( resid  37 and name    HN )  4.01  2.01  1.99 ! 1458
assign (resid  35 and name    HA ) ( resid  39 and name   HD# )  2.70  0.61  2.60 ! 1459
assign (resid  35 and name    HA ) ( resid  58 and name    HZ )  4.59  2.63  1.41 ! 1460
assign (resid  34 and name   HB1 ) ( resid  31 and name    HN )  2.70  0.90  0.90 ! 1467
assign (resid  34 and name   HB1 ) ( resid  30 and name   HB2 )  2.70  0.70  0.70 ! 1471
assign (resid  46 and name   HB2 ) ( resid  48 and name    HN )  3.56  1.58  1.58 ! 1473
assign (resid  46 and name   HB2 ) ( resid  50 and name    HN )  2.70  0.73  1.73 ! 1474
assign (resid  46 and name   HB2 ) ( resid  51 and name    HN )  2.70  0.65  1.65 ! 1475
assign (resid  46 and name   HB2 ) ( resid  49 and name    HN )  2.70  0.84  0.84 ! 1476
assign (resid  15 and name   HD# ) ( resid  16 and name    HN )  5.00  3.12  2.00 ! 1483
assign (resid  15 and name   HD# ) ( resid  11 and name  HG2# )  3.41  1.45  3.45 ! 1491
assign (resid   9 and name   HB1 ) ( resid  10 and name    HN )  4.84  2.92  1.16 ! 1493
assign (resid  15 and name   HD# ) ( resid  14 and name   HD# )  4.22  2.23  3.78 ! 1494
assign (resid  15 and name   HD# ) ( resid  14 and name   HE# )  4.41  2.44  3.59 ! 1495
assign (resid  26 and name   HB1 ) ( resid  51 and name  HG2# )  2.77  0.96  1.96 ! 1506
assign (resid  55 and name   HE# ) ( resid  56 and name    HN )  4.53  2.56  2.47 ! 1508
assign (resid  63 and name   HB2 ) ( resid  64 and name    HN )  2.87  1.03  1.03 ! 1518
assign (resid  46 and name   HB1 ) ( resid  50 and name    HN )  3.05  1.17  1.17 ! 1523
assign (resid  46 and name   HB1 ) ( resid  51 and name    HN )  2.70  0.79  0.79 ! 1524
assign (resid  46 and name   HB1 ) ( resid  49 and name    HN )  3.37  1.42  1.42 ! 1525
assign (resid  39 and name   HB1 ) ( resid  41 and name   HG# )  2.70  0.86  2.86 ! 1538
assign (resid  39 and name   HB1 ) ( resid  35 and name  HG1# )  2.70  0.90  1.90 ! 1539
assign (resid  28 and name   HB1 ) ( resid  29 and name    HN )  3.38  1.42  1.42 ! 1541
assign (resid  28 and name   HB1 ) ( resid  48 and name   HB2 )  3.60  1.62  1.62 ! 1546
assign (resid   8 and name   HD# ) ( resid  47 and name   HG# )  3.22  1.30  3.30 ! 1551
assign (resid  58 and name   HB1 ) ( resid  59 and name    HN )  3.78  1.79  1.79 ! 1554
assign (resid   8 and name   HD# ) ( resid  47 and name   HB2 )  3.25  1.32  2.32 ! 1558
assign (resid  58 and name   HB1 ) ( resid  60 and name    HB )  2.92  1.07  1.77 ! 1559
assign (resid  24 and name   HB# ) ( resid  57 and name  HD2# )  3.60  1.62  4.62 ! 1561
assign (resid  24 and name   HB1 ) ( resid  25 and name    HN )  3.10  1.20  1.20 ! 1562
assign (resid  24 and name   HB# ) ( resid  26 and name    HN )  3.17  1.26  2.26 ! 1564
assign (resid  24 and name   HB# ) ( resid  59 and name   HG# )  2.70  0.61  2.60 ! 1567
assign (resid  39 and name   HB2 ) ( resid  35 and name  HG1# )  3.35  1.40  2.40 ! 1578
assign (resid  58 and name   HB2 ) ( resid  23 and name    HN )  3.97  1.97  1.97 ! 1588
assign (resid  58 and name   HB2 ) ( resid  59 and name    HN )  3.04  1.16  1.16 ! 1589
assign (resid  58 and name   HB2 ) ( resid  60 and name    HB )  2.70  0.67  1.67 ! 1591
assign (resid  58 and name   HB2 ) ( resid  35 and name    HB )  2.84  1.01  2.01 ! 1598
assign (resid  58 and name   HB2 ) ( resid  35 and name  HG2# )  3.97  1.97  2.97 ! 1601
assign (resid  13 and name   HE# ) ( resid  14 and name   HE# )  4.25  2.25  4.75 ! 1608
assign (resid  16 and name   HB2 ) ( resid  12 and name  HG2# )  2.70  0.76  1.76 ! 1620
assign (resid  34 and name   HB2 ) ( resid  35 and name    HN )  2.96  1.10  1.10 ! 1630
assign (resid  31 and name   HB2 ) ( resid   6 and name    HN )  3.53  1.56  1.56 ! 1636
assign (resid  31 and name   HB2 ) ( resid  32 and name    HN )  2.71  0.92  0.92 ! 1637
assign (resid  31 and name   HB2 ) ( resid  33 and name    HN )  3.65  1.67  1.67 ! 1638
assign (resid  31 and name   HB2 ) ( resid   6 and name   HB1 )  2.70  0.61  0.61 ! 1644
assign (resid  29 and name  HG2# ) ( resid  31 and name   HB2 )  3.35  1.40  2.40 ! 1645
assign (resid  31 and name   HB2 ) ( resid  19 and name  HD## )  2.70  0.76  4.41 ! 1646
assign (resid  31 and name   HB2 ) ( resid  21 and name    HA )  3.18  1.27  1.27 ! 1648
assign (resid  36 and name   HB2 ) ( resid  37 and name    HN )  2.70  0.82  0.82 ! 1653
assign (resid  26 and name   HB2 ) ( resid  51 and name  HG2# )  2.70  0.71  1.71 ! 1660
assign (resid  57 and name   HB2 ) ( resid  58 and name    HN )  3.52  1.55  1.55 ! 1665
assign (resid  16 and name   HB1 ) ( resid  12 and name  HG2# )  2.70  0.82  1.82 ! 1677
assign (resid  49 and name   HB2 ) ( resid  28 and name   HD2 )  4.98  3.10  1.02 ! 1685
assign (resid  36 and name   HB1 ) ( resid  33 and name    HA )  2.70  0.82  0.82 ! 1695
assign (resid  36 and name   HB1 ) ( resid  37 and name    HN )  2.86  1.02  1.02 ! 1697
assign (resid   6 and name   HB1 ) ( resid  31 and name    HN )  2.70  0.89  0.89 ! 1705
assign (resid   6 and name   HB1 ) ( resid  12 and name    HN )  2.84  1.01  1.01 ! 1707
assign (resid   6 and name   HB1 ) ( resid  12 and name  HG2# )  3.23  1.31  2.31 ! 1713
assign (resid   6 and name   HB1 ) ( resid  19 and name  HD## )  3.03  1.15  4.65 ! 1717
assign (resid   9 and name   HB2 ) ( resid  10 and name    HN )  4.74  2.80  1.26 ! 1721
assign (resid  17 and name   HB# ) ( resid  18 and name    HN )  4.00  2.00  3.00 ! 1724
assign (resid  45 and name   HB2 ) ( resid  46 and name    HN )  3.40  1.44  1.44 ! 1733
assign (resid  47 and name   HB1 ) ( resid  48 and name    HN )  3.93  1.93  1.93 ! 1751
assign (resid  52 and name   HB1 ) ( resid  53 and name    HN )  3.55  1.57  1.57 ! 1754
assign (resid  22 and name   HG# ) ( resid  21 and name   HB2 )  3.07  1.18  2.18 ! 1764
assign (resid  22 and name   HG# ) ( resid  35 and name  HG2# )  3.32  1.38  3.38 ! 1765
assign (resid   7 and name   HG# ) ( resid  29 and name    HN )  3.71  1.72  2.72 ! 1766
assign (resid   7 and name   HG# ) ( resid  29 and name  HG2# )  3.26  1.33  3.33 ! 1771
assign (resid  32 and name   HG# ) ( resid  20 and name    HN )  3.95  1.95  2.95 ! 1774
assign (resid  32 and name   HG# ) ( resid  36 and name    HN )  3.72  1.73  2.73 ! 1776
assign (resid  32 and name   HG# ) ( resid  33 and name    HN )  3.15  1.24  2.24 ! 1777
assign (resid  32 and name   HG# ) ( resid  35 and name  HG1# )  3.96  1.96  3.96 ! 1786
assign (resid  40 and name    HB ) ( resid  41 and name    HN )  3.98  1.98  1.98 ! 1787
assign (resid  37 and name   HB1 ) ( resid  38 and name    HN )  2.70  0.91  0.91 ! 1788
assign (resid  45 and name   HB1 ) ( resid  46 and name    HN )  2.79  0.97  0.97 ! 1797
assign (resid  45 and name   HB1 ) ( resid  50 and name    HN )  3.80  1.81  1.81 ! 1798
assign (resid   4 and name   HG# ) ( resid   5 and name    HN )  4.14  2.14  2.86 ! 1799
assign (resid  47 and name   HB2 ) ( resid  48 and name    HN )  2.70  0.81  0.81 ! 1813
assign (resid  25 and name    HB ) ( resid  26 and name    HN )  3.19  1.28  1.28 ! 1815
assign (resid   7 and name   HG# ) ( resid  21 and name    HG )  3.29  1.35  2.35 ! 1825
assign (resid  59 and name   HG# ) ( resid  23 and name    HN )  4.29  2.30  2.71 ! 1833
assign (resid  41 and name   HB1 ) ( resid  43 and name    HN )  4.21  2.22  1.79 ! 1836
assign (resid  32 and name   HB# ) ( resid  20 and name    HN )  4.20  2.21  2.80 ! 1853
assign (resid  30 and name   HB2 ) ( resid  34 and name    HN )  3.31  1.37  1.87 ! 1858
assign (resid   7 and name   HB2 ) ( resid   8 and name    HN )  3.12  1.21  1.21 ! 1862
assign (resid  53 and name   HB1 ) ( resid  46 and name    HN )  2.70  0.87  0.87 ! 1871
assign (resid  47 and name   HG# ) ( resid  48 and name    HN )  2.70  0.90  1.90 ! 1875
assign (resid  17 and name   HG# ) ( resid  18 and name    HN )  3.22  1.30  2.30 ! 1876
assign (resid  55 and name   HB# ) ( resid  57 and name    HN )  4.16  2.17  2.84 ! 1883
assign (resid  37 and name   HB2 ) ( resid  34 and name    HA )  3.94  1.94  1.94 ! 1890
assign (resid  32 and name   HB# ) ( resid  33 and name    HN )  3.05  1.16  2.16 ! 1899
assign (resid  15 and name   HB1 ) ( resid  11 and name  HG2# )  2.87  1.03  3.03 ! 1919
assign (resid  22 and name   HB# ) ( resid  23 and name    HN )  2.70  0.81  1.81 ! 1925
assign (resid  52 and name   HB2 ) ( resid  53 and name    HN )  3.98  1.98  1.98 ! 1934
assign (resid  23 and name    HB ) ( resid  30 and name    HN )  3.40  1.45  1.45 ! 1936
assign (resid  35 and name    HB ) ( resid  36 and name    HN )  2.70  0.61  0.61 ! 1939
assign (resid  35 and name    HB ) ( resid  37 and name    HN )  4.29  2.30  1.71 ! 1947
assign (resid  23 and name    HB ) ( resid  24 and name    HN )  2.88  1.04  1.04 ! 1949
assign (resid  23 and name    HB ) ( resid  27 and name   HA# )  3.58  1.60  2.60 ! 1954
assign (resid   4 and name   HB1 ) ( resid   5 and name    HN )  3.28  1.34  1.34 ! 1957
assign (resid  41 and name   HB2 ) ( resid  43 and name    HN )  3.64  1.66  1.66 ! 1959
assign (resid  21 and name   HB2 ) ( resid  61 and name  HE2# )  4.64  2.69  2.36 ! 1972
assign (resid  21 and name   HB2 ) ( resid  31 and name    HA )  3.55  1.58  1.58 ! 1973
assign (resid  41 and name   HB1 ) ( resid  42 and name    HN )  5.00  3.12  1.00 ! 1975
assign (resid  21 and name   HB2 ) ( resid  32 and name    HN )  4.61  2.66  1.39 ! 1982
assign (resid  21 and name   HB2 ) ( resid  29 and name  HG2# )  2.70  0.78  1.78 ! 1985
assign (resid  30 and name   HB1 ) ( resid  31 and name    HN )  3.22  1.30  1.30 ! 1986
assign (resid  30 and name   HB1 ) ( resid  34 and name   HB2 )  2.70  0.86  1.76 ! 1992
assign (resid  61 and name   HB1 ) ( resid  63 and name    HN )  3.55  1.58  1.58 ! 1996
assign (resid  61 and name   HB1 ) ( resid  62 and name    HN )  2.81  0.98  0.98 ! 1997
assign (resid  15 and name   HB2 ) ( resid  16 and name    HN )  2.70  0.91  0.91 ! 1998
assign (resid  15 and name   HB1 ) ( resid  14 and name    HN )  3.82  1.83  1.83 ! 1999
assign (resid  15 and name   HB2 ) ( resid  11 and name  HG2# )  3.34  1.39  2.39 ! 2009
assign (resid  55 and name   HD# ) ( resid  44 and name    HN )  3.82  1.83  2.82 ! 2018
assign (resid  48 and name   HG# ) ( resid  49 and name    HN )  3.70  1.71  2.71 ! 2019
assign (resid  48 and name   HG# ) ( resid  28 and name   HD2 )  3.06  1.17  2.17 ! 2020
assign (resid  38 and name   HB# ) ( resid  39 and name    HZ )  2.70  0.89  1.89 ! 2022
assign (resid  55 and name   HD# ) ( resid  57 and name  HD2# )  3.90  1.90  4.90 ! 2024
assign (resid  48 and name   HG# ) ( resid  28 and name   HB2 )  3.86  1.86  2.86 ! 2026
assign (resid  59 and name   HB1 ) ( resid  60 and name    HN )  2.87  1.03  1.03 ! 2031
assign (resid  55 and name   HD# ) ( resid  57 and name    HN )  5.00  3.12  2.00 ! 2032
assign (resid  38 and name   HB# ) ( resid  39 and name   HE# )  2.70  0.63  2.91 ! 2033
assign (resid  38 and name   HB# ) ( resid  39 and name   HD# )  2.70  0.62  2.91 ! 2037
assign (resid  38 and name   HB# ) ( resid  35 and name    HA )  2.70  0.87  1.87 ! 2039
assign (resid  38 and name   HB# ) ( resid  34 and name   HB2 )  3.32  1.38  2.38 ! 2048
assign (resid  41 and name   HG# ) ( resid  43 and name    HN )  4.06  2.06  2.94 ! 2050
assign (resid  20 and name   HB# ) ( resid  21 and name    HN )  2.74  0.94  1.94 ! 2061
assign (resid  20 and name   HB# ) ( resid  62 and name    HN )  3.61  1.63  2.63 ! 2062
assign (resid  20 and name   HB# ) ( resid  22 and name    HA )  3.63  1.64  2.65 ! 2066
assign (resid  20 and name   HB# ) ( resid  61 and name   HB1 )  2.70  0.61  2.60 ! 2075
assign (resid   8 and name   HB2 ) ( resid   9 and name    HN )  2.70  0.85  0.85 ! 2079
assign (resid  19 and name   HB# ) ( resid  16 and name   HB1 )  2.73  0.93  1.93 ! 2086
assign (resid   8 and name   HB2 ) ( resid  38 and name    HN )  2.70  0.76  1.76 ! 2090
assign (resid  55 and name   HG# ) ( resid  57 and name    HN )  3.06  1.17  2.17 ! 2091
assign (resid  15 and name   HG# ) ( resid  16 and name    HN )  3.25  1.32  2.32 ! 2092
assign (resid  15 and name   HG# ) ( resid  14 and name   HD# )  2.74  0.94  2.94 ! 2094
assign (resid  19 and name   HB# ) ( resid  16 and name   HB2 )  2.70  0.68  1.68 ! 2097
assign (resid  15 and name   HG# ) ( resid  14 and name   HE# )  4.12  2.12  3.88 ! 2099
assign (resid  59 and name   HG# ) ( resid  26 and name    HN )  4.28  2.29  2.72 ! 2116
assign (resid   8 and name   HB1 ) ( resid  38 and name    HN )  5.00  3.12  1.00 ! 2122
assign (resid  59 and name   HG# ) ( resid  58 and name   HE# )  4.29  2.30  3.71 ! 2125
assign (resid   8 and name   HB1 ) ( resid   9 and name    HN )  2.70  0.61  0.61 ! 2135
assign (resid  22 and name   HG# ) ( resid  23 and name    HN )  4.35  2.37  2.65 ! 2143
assign (resid  62 and name   HB1 ) ( resid  63 and name    HN )  3.26  1.33  1.33 ! 2153
assign (resid  21 and name   HB1 ) ( resid  31 and name    HA )  3.62  1.64  1.64 ! 2171
assign (resid  21 and name   HB1 ) ( resid  19 and name  HD## )  2.71  0.92  4.42 ! 2173
assign (resid   8 and name   HG# ) ( resid   9 and name    HN )  3.32  1.38  2.38 ! 2176
assign (resid  48 and name   HB1 ) ( resid  49 and name    HN )  2.70  0.87  0.87 ! 2177
assign (resid  48 and name   HB1 ) ( resid  28 and name   HD2 )  3.28  1.34  2.34 ! 2178
assign (resid  43 and name   HB# ) ( resid  44 and name    HN )  2.70  0.67  1.67 ! 2187
assign (resid  43 and name   HB# ) ( resid  40 and name    HN )  3.57  1.59  2.59 ! 2189
assign (resid  62 and name   HB2 ) ( resid  63 and name    HN )  2.87  1.03  1.03 ! 2205
assign (resid  30 and name   HB2 ) ( resid  31 and name    HN )  2.70  0.84  0.84 ! 2209
assign (resid  30 and name   HB2 ) ( resid  58 and name   HD# )  4.41  2.44  2.59 ! 2212
assign (resid  30 and name   HB2 ) ( resid  58 and name   HE# )  3.69  1.70  2.70 ! 2214
assign (resid  30 and name   HB2 ) ( resid  24 and name  HD## )  3.62  1.64  5.14 ! 2215
assign (resid  30 and name   HB2 ) ( resid  31 and name    HA )  5.00  3.12  1.00 ! 2216
assign (resid  30 and name   HB2 ) ( resid  34 and name   HB2 )  2.72  0.93  0.93 ! 2221
assign (resid  30 and name   HB2 ) ( resid  35 and name  HG1# )  4.40  2.42  2.60 ! 2223
assign (resid  30 and name   HB2 ) ( resid  35 and name    HB )  3.58  1.60  1.60 ! 2227
assign (resid  12 and name  HG2# ) ( resid   6 and name    HN )  3.49  1.52  2.52 ! 2229
assign (resid  11 and name  HG2# ) ( resid  16 and name    HN )  3.01  1.13  2.13 ! 2231
assign (resid  11 and name  HG2# ) ( resid  15 and name    HE )  2.70  0.70  1.70 ! 2233
assign (resid  11 and name  HG2# ) ( resid  15 and name    HN )  4.34  2.35  2.66 ! 2234
assign (resid  12 and name  HG2# ) ( resid  16 and name  HD2# )  3.32  1.38  3.38 ! 2236
assign (resid  11 and name  HG2# ) ( resid  31 and name   HB2 )  3.74  1.75  2.75 ! 2244
assign (resid  11 and name  HG2# ) ( resid  16 and name   HB1 )  2.70  0.72  1.72 ! 2246
assign (resid  12 and name  HG2# ) ( resid  19 and name  HD## )  2.70  0.71  5.41 ! 2249
assign (resid  48 and name   HB2 ) ( resid  50 and name    HN )  4.25  2.26  1.75 ! 2258
assign (resid  48 and name   HB2 ) ( resid  49 and name    HN )  2.70  0.70  1.70 ! 2259
assign (resid  13 and name   HB1 ) ( resid  14 and name    HN )  3.75  1.75  1.75 ! 2269
assign (resid  29 and name  HG2# ) ( resid  31 and name   HB1 )  3.02  1.14  2.84 ! 2276
assign (resid  29 and name  HG2# ) ( resid  31 and name    HN )  3.81  1.82  2.81 ! 2279
assign (resid  20 and name   HG# ) ( resid  21 and name    HN )  3.16  1.25  2.25 ! 2281
assign (resid  20 and name   HG# ) ( resid  32 and name    HN )  3.78  1.78  1.78 ! 2283
assign (resid  20 and name   HG# ) ( resid  31 and name    HA )  3.31  1.37  2.37 ! 2285
assign (resid  20 and name   HG# ) ( resid  21 and name    HA )  3.26  1.33  2.33 ! 2286
assign (resid  29 and name  HG2# ) ( resid   6 and name   HB1 )  3.84  1.84  2.84 ! 2287
assign (resid  29 and name  HG2# ) ( resid  21 and name  HD## )  2.70  0.65  5.41 ! 2289
assign (resid  29 and name  HG2# ) ( resid  30 and name    HN )  2.70  0.70  1.70 ! 2291
assign (resid  29 and name  HG2# ) ( resid   5 and name    HN )  4.80  2.87  1.20 ! 2292
assign (resid  13 and name   HB2 ) ( resid  14 and name    HN )  4.24  2.25  1.76 ! 2310
assign (resid  21 and name    HG ) ( resid  22 and name    HN )  2.70  0.89  0.89 ! 2315
assign (resid  21 and name    HG ) ( resid  29 and name    HB )  3.97  1.97  1.97 ! 2320
assign (resid  53 and name    HG ) ( resid  46 and name    HN )  3.59  1.61  1.61 ! 2323
assign (resid  53 and name    HG ) ( resid  26 and name    HN )  3.38  1.43  1.43 ! 2325
assign (resid  53 and name    HG ) ( resid  57 and name  HD2# )  4.23  2.24  3.77 ! 2326
assign (resid  21 and name    HG ) ( resid  31 and name    HA )  3.54  1.56  1.56 ! 2328
assign (resid  51 and name  HG2# ) ( resid  25 and name    HB )  3.51  1.54  2.54 ! 2336
assign (resid  13 and name   HD# ) ( resid   6 and name    HN )  3.33  1.39  2.39 ! 2339
assign (resid  13 and name   HD# ) ( resid   5 and name    HN )  3.53  1.56  3.56 ! 2340
assign (resid  13 and name   HD# ) ( resid  14 and name    HN )  3.40  1.44  2.44 ! 2341
assign (resid  13 and name   HD# ) ( resid  15 and name    HE )  2.70  0.75  1.75 ! 2342
assign (resid  13 and name   HD# ) ( resid  14 and name   HE# )  4.73  2.80  4.27 ! 2344
assign (resid  13 and name   HD# ) ( resid   5 and name   HA# )  2.70  0.84  2.84 ! 2345
assign (resid  38 and name    HG ) ( resid  39 and name    HZ )  4.51  2.54  1.49 ! 2349
assign (resid  38 and name    HG ) ( resid  35 and name    HA )  3.41  1.45  1.45 ! 2351
assign (resid  38 and name    HG ) ( resid  58 and name   HB2 )  2.85  1.01  3.01 ! 2353
assign (resid  38 and name    HG ) ( resid  39 and name   HD# )  2.75  0.94  2.94 ! 2359
assign (resid  38 and name    HG ) ( resid  39 and name   HE# )  2.97  1.10  2.10 ! 2360
assign (resid  13 and name   HD# ) ( resid  20 and name    HA )  2.70  0.61  3.10 ! 2363
assign (resid  40 and name  HG1# ) ( resid  41 and name    HN )  4.57  2.61  2.43 ! 2377
assign (resid  40 and name  HG1# ) ( resid  39 and name    HN )  3.72  1.73  2.73 ! 2378
assign (resid  40 and name  HG1# ) ( resid  36 and name    HA )  3.85  1.85  2.85 ! 2381
assign (resid  25 and name  HG1# ) ( resid  57 and name   HB2 )  3.15  1.24  2.24 ! 2385
assign (resid  25 and name  HG1# ) ( resid  57 and name  HD2# )  3.45  1.49  4.49 ! 2387
assign (resid  25 and name  HG1# ) ( resid  26 and name    HN )  2.90  1.05  2.05 ! 2388
assign (resid  25 and name  HG1# ) ( resid  57 and name   HB1 )  2.72  0.93  1.93 ! 2392
assign (resid  60 and name  HG1# ) ( resid  61 and name    HN )  3.12  1.22  2.22 ! 2395
assign (resid  40 and name  HG2# ) ( resid  41 and name    HN )  3.10  1.20  2.20 ! 2396
assign (resid  60 and name  HG1# ) ( resid  21 and name    HN )  4.80  2.88  2.20 ! 2397
assign (resid  60 and name  HG1# ) ( resid  22 and name    HA )  3.60  1.62  2.62 ! 2399
assign (resid  40 and name  HG2# ) ( resid  39 and name    HN )  3.83  1.83  2.83 ! 2404
assign (resid  30 and name    HG ) ( resid  34 and name    HA )  3.75  1.76  1.76 ! 2411
assign (resid  30 and name    HG ) ( resid   8 and name   HD# )  2.70  0.87  1.87 ! 2413
assign (resid  30 and name    HG ) ( resid  47 and name   HB1 )  2.70  0.67  2.37 ! 2414
assign (resid  30 and name    HG ) ( resid  31 and name    HN )  2.70  0.90  0.90 ! 2416
assign (resid  30 and name    HG ) ( resid  39 and name   HE# )  2.70  0.61  2.61 ! 2418
assign (resid  30 and name    HG ) ( resid  58 and name   HE# )  2.70  0.73  2.73 ! 2419
assign (resid  30 and name    HG ) ( resid  24 and name  HD## )  3.00  1.13  4.62 ! 2420
assign (resid  30 and name    HG ) ( resid  47 and name   HD# )  2.70  0.75  1.75 ! 2421
assign (resid  30 and name    HG ) ( resid  35 and name    HA )  2.70  0.67  0.67 ! 2423
assign (resid  30 and name    HG ) ( resid  34 and name   HB2 )  2.70  0.63  0.63 ! 2424
assign (resid  30 and name    HG ) ( resid  35 and name  HG1# )  3.06  1.17  2.17 ! 2430
assign (resid  30 and name    HG ) ( resid  39 and name    HZ )  2.86  1.02  1.02 ! 2432
assign (resid  23 and name  HG1# ) ( resid  29 and name    HN )  3.64  1.65  2.66 ! 2434
assign (resid  23 and name  HG1# ) ( resid  24 and name    HN )  2.70  0.62  1.62 ! 2438
assign (resid  23 and name  HG1# ) ( resid  27 and name    HN )  2.74  0.94  1.94 ! 2439
assign (resid  23 and name  HG1# ) ( resid  27 and name   HA# )  2.82  1.00  3.00 ! 2447
assign (resid  60 and name  HG2# ) ( resid  61 and name    HN )  2.70  0.73  1.73 ! 2452
assign (resid  60 and name  HG2# ) ( resid  21 and name    HN )  3.52  1.55  2.55 ! 2453
assign (resid  53 and name  HD## ) ( resid  55 and name    HN )  3.15  1.24  4.74 ! 2466
assign (resid  25 and name  HG2# ) ( resid  57 and name  HD2# )  4.32  2.33  4.68 ! 2468
assign (resid  25 and name  HG2# ) ( resid  26 and name    HN )  2.70  0.61  1.61 ! 2469
assign (resid  53 and name  HD## ) ( resid  57 and name  HD2# )  3.17  1.26  6.76 ! 2470
assign (resid  53 and name  HD## ) ( resid  47 and name   HD# )  2.70  0.82  5.41 ! 2471
assign (resid  19 and name  HD## ) ( resid  16 and name   HB1 )  3.29  1.35  4.85 ! 2474
assign (resid  19 and name  HD## ) ( resid  31 and name    HN )  4.64  2.69  4.86 ! 2483
assign (resid  53 and name  HD## ) ( resid  46 and name    HN )  3.03  1.15  4.65 ! 2484
assign (resid  19 and name  HD## ) ( resid  20 and name    HN )  2.70  0.88  4.41 ! 2485
assign (resid  19 and name  HD## ) ( resid   6 and name    HN )  3.07  1.18  4.68 ! 2486
assign (resid  19 and name  HD## ) ( resid  16 and name  HD2# )  3.04  1.15  5.66 ! 2491
assign (resid  25 and name  HG2# ) ( resid  26 and name   HB1 )  3.29  1.35  2.35 ! 2501
assign (resid  53 and name  HD## ) ( resid  46 and name   HB1 )  2.70  0.71  4.41 ! 2502
assign (resid  25 and name  HG2# ) ( resid  24 and name   HB# )  2.70  0.70  2.70 ! 2503
assign (resid  19 and name  HD## ) ( resid  16 and name   HB2 )  3.08  1.19  4.69 ! 2504
assign (resid  62 and name  HD## ) ( resid  34 and name    HN )  4.10  2.10  6.40 ! 2510
assign (resid  62 and name  HD## ) ( resid  63 and name    HN )  3.69  1.70  6.20 ! 2517
assign (resid  62 and name  HD## ) ( resid  21 and name   HB1 )  2.70  0.61  5.41 ! 2520
assign (resid  38 and name  HD## ) ( resid  39 and name   HD# )  3.49  1.52  7.02 ! 2527
assign (resid  38 and name  HD## ) ( resid  39 and name   HE# )  3.01  1.13  6.63 ! 2528
assign (resid  38 and name  HD## ) ( resid  39 and name    HZ )  3.70  1.71  6.21 ! 2529
assign (resid  38 and name  HD## ) ( resid   8 and name   HD# )  2.74  0.94  6.44 ! 2531
assign (resid  38 and name  HD## ) ( resid  35 and name    HA )  3.12  1.21  5.72 ! 2532
assign (resid  38 and name  HD## ) ( resid  34 and name   HB2 )  2.70  0.86  5.41 ! 2534
assign (resid  38 and name  HD## ) ( resid   8 and name   HB1 )  2.81  0.99  5.49 ! 2535
assign (resid  21 and name  HD## ) ( resid  31 and name    HN )  4.54  2.58  4.96 ! 2550
assign (resid  21 and name  HD## ) ( resid   6 and name    HN )  3.23  1.30  4.80 ! 2552
assign (resid  21 and name  HD## ) ( resid   5 and name    HN )  3.31  1.37  4.87 ! 2554
assign (resid  21 and name  HD## ) ( resid  16 and name  HD2# )  3.03  1.14  5.65 ! 2557
assign (resid  21 and name  HD## ) ( resid  29 and name    HB )  2.97  1.10  4.60 ! 2561
assign (resid  21 and name  HD## ) ( resid  31 and name   HB1 )  2.76  0.96  4.45 ! 2564
assign (resid  21 and name  HD## ) ( resid  13 and name   HE# )  3.65  1.66  7.17 ! 2565
assign (resid  21 and name  HD## ) ( resid   6 and name   HB1 )  2.70  0.87  4.41 ! 2566
assign (resid  21 and name  HD## ) ( resid  30 and name    HN )  3.96  1.96  5.46 ! 2574
assign (resid  21 and name  HD## ) ( resid  22 and name    HN )  2.87  1.03  4.53 ! 2575
assign (resid  53 and name  HD## ) ( resid  58 and name   HD# )  3.37  1.42  5.92 ! 2576
assign (resid  23 and name  HG2# ) ( resid  29 and name    HA )  2.76  0.95  1.95 ! 2578
assign (resid  21 and name  HD## ) ( resid   5 and name   HA# )  2.72  0.92  5.42 ! 2579
assign (resid  23 and name  HG2# ) ( resid  59 and name    HN )  3.21  1.29  2.29 ! 2581
assign (resid  23 and name  HG2# ) ( resid  29 and name    HN )  4.32  2.33  2.68 ! 2582
assign (resid  23 and name  HG2# ) ( resid  24 and name    HN )  2.90  1.05  2.05 ! 2584
assign (resid  23 and name  HG2# ) ( resid  27 and name    HN )  3.52  1.55  2.55 ! 2585
assign (resid  53 and name  HD## ) ( resid  26 and name    HN )  4.38  2.40  5.12 ! 2600
assign (resid  53 and name  HD## ) ( resid  58 and name   HE# )  2.70  0.74  5.41 ! 2601
assign (resid  53 and name  HD## ) ( resid  24 and name  HD## )  3.14  1.23  8.23 ! 2602
assign (resid  53 and name  HD## ) ( resid  46 and name   HB2 )  2.94  1.08  4.58 ! 2606
assign (resid  53 and name  HD## ) ( resid  24 and name   HB# )  2.70  0.69  5.41 ! 2608
assign (resid  21 and name  HD## ) ( resid   6 and name    HA )  2.70  0.76  4.41 ! 2613
assign (resid  19 and name  HD## ) ( resid  32 and name    HN )  4.05  2.05  5.45 ! 2618
assign (resid  19 and name  HD## ) ( resid  16 and name    HN )  4.23  2.24  5.27 ! 2619
assign (resid  19 and name  HD## ) ( resid  15 and name    HE )  4.14  2.14  5.36 ! 2621
assign (resid  13 and name   HG# ) ( resid   5 and name   HA# )  2.70  0.86  2.86 ! 2624
assign (resid  13 and name   HG# ) ( resid  14 and name    HN )  4.22  2.22  2.78 ! 2640
assign (resid  30 and name  HD## ) ( resid  31 and name    HN )  3.12  1.21  4.72 ! 2644
assign (resid  21 and name  HD## ) ( resid  32 and name    HN )  3.23  1.31  4.80 ! 2649
assign (resid  30 and name  HD## ) ( resid  31 and name    HA )  2.70  0.75  4.41 ! 2652
assign (resid  21 and name  HD## ) ( resid  30 and name    HA )  3.37  1.42  4.92 ! 2653
assign (resid  21 and name  HD## ) ( resid   7 and name   HD# )  3.27  1.33  5.84 ! 2657
assign (resid  21 and name  HD## ) ( resid  31 and name   HB2 )  2.70  0.76  4.41 ! 2665
assign (resid  35 and name  HG1# ) ( resid  39 and name    HN )  3.38  1.43  2.43 ! 2673
assign (resid  35 and name  HG1# ) ( resid  36 and name    HN )  2.74  0.94  1.94 ! 2674
assign (resid  35 and name  HG1# ) ( resid  37 and name    HN )  4.76  2.83  2.24 ! 2675
assign (resid  35 and name  HG1# ) ( resid  39 and name   HD# )  2.70  0.76  2.91 ! 2676
assign (resid  35 and name  HG1# ) ( resid  58 and name   HD# )  2.70  0.79  2.91 ! 2677
assign (resid  35 and name  HG1# ) ( resid  39 and name   HE# )  3.09  1.19  3.19 ! 2678
assign (resid  35 and name  HG1# ) ( resid  58 and name   HE# )  3.53  1.56  3.56 ! 2679
assign (resid  35 and name  HG1# ) ( resid  24 and name  HD## )  3.01  1.13  5.63 ! 2680
assign (resid  35 and name  HG1# ) ( resid  36 and name    HA )  2.75  0.95  1.95 ! 2681
assign (resid  35 and name  HG1# ) ( resid  58 and name   HB1 )  3.59  1.61  2.61 ! 2684
assign (resid  35 and name  HG1# ) ( resid  58 and name   HB2 )  3.45  1.48  2.48 ! 2686
assign (resid  30 and name  HD## ) ( resid  34 and name    HN )  3.55  1.57  5.08 ! 2696
assign (resid  30 and name  HD## ) ( resid  22 and name    HN )  3.80  1.80  5.30 ! 2698
assign (resid  35 and name  HG2# ) ( resid  32 and name    HN )  4.12  2.13  2.88 ! 2700
assign (resid  35 and name  HG2# ) ( resid  36 and name    HN )  3.26  1.33  2.33 ! 2701
assign (resid  35 and name  HG2# ) ( resid  58 and name   HD# )  2.84  1.01  3.01 ! 2703
assign (resid  35 and name  HG2# ) ( resid  39 and name   HE# )  3.44  1.48  3.48 ! 2704
assign (resid  35 and name  HG2# ) ( resid  58 and name   HE# )  2.94  1.08  3.08 ! 2705
assign (resid  35 and name  HG2# ) ( resid  24 and name  HD## )  3.19  1.27  5.77 ! 2707
assign (resid  30 and name  HD## ) ( resid  22 and name   HB# )  2.97  1.10  5.60 ! 2711
assign (resid  24 and name    HA ) ( resid  58 and name    HA )  2.20  0.73  0.73 ! 2733
assign (resid  22 and name    HA ) ( resid  21 and name   HB2 )  3.05  1.16  1.16 ! 2804
assign (resid  22 and name    HA ) ( resid  61 and name   HG# )  3.25  1.32  2.32 ! 2824
assign (resid  58 and name    HA ) ( resid  59 and name   HG# )  3.23  1.30  2.30 ! 2838
assign (resid   2 and name   HB* ) ( resid  14 and name   HE# )  3.78  1.79  2.79 ! 2840
assign (resid  41 and name    HA ) ( resid  42 and name    HN )  3.14  1.23  1.23 ! 2917
assign (resid  49 and name   HB2 ) ( resid  50 and name    HN )  4.68  2.74  1.32 ! 2942
assign (resid   8 and name    HA ) ( resid  10 and name    HN )  3.37  1.42  1.42 ! 2990
assign (resid  28 and name   HB1 ) ( resid  29 and name    HB )  3.06  1.17  1.17 ! 3013
assign (resid  37 and name   HB1 ) ( resid  34 and name    HA )  4.33  2.35  1.67 ! 3070
assign (resid  64 and name   HG# ) ( resid  65 and name    HN )  3.79  1.80  2.80 ! 3086
assign (resid  59 and name   HG# ) ( resid  24 and name    HN )  2.80  0.98  2.98 ! 3170
assign (resid  59 and name   HG# ) ( resid  60 and name    HN )  3.52  1.55  2.55 ! 3184
assign (resid  59 and name   HB2 ) ( resid  60 and name    HN )  2.70  0.78  1.48 ! 3189
assign (resid  29 and name  HG2# ) ( resid  22 and name    HN )  2.99  1.12  2.12 ! 3224
assign (resid  30 and name    HG ) ( resid  35 and name    HN )  2.70  0.73  0.73 ! 3290
assign (resid  41 and name   HB2 ) ( resid  42 and name    HN )  5.00  3.12  1.00 ! 3306
assign (resid  24 and name    HA ) ( resid  59 and name   HG# )  2.70  0.85  1.85 ! 3324
assign (resid  30 and name   HB2 ) ( resid  35 and name    HN )  3.02  1.14  1.14 ! 3359
assign (resid  28 and name    HA ) ( resid  29 and name    HN )  2.70  0.61  0.61 ! 3360
assign (resid  23 and name  HG1# ) ( resid  59 and name    HN )  4.68  2.74  2.32 ! 3368
assign (resid  30 and name    HG ) ( resid  34 and name    HN )  3.42  1.46  1.46 ! 3369
assign (resid  60 and name    HN ) ( resid  59 and name    HN )  4.71  2.78  1.29 ! 3376
assign (resid  14 and name   HB# ) ( resid  15 and name    HN )  2.70  0.61  1.61 ! 3382
assign (resid  22 and name   HG# ) ( resid  35 and name  HG1# )  4.88  2.97  3.12 ! 3386
assign (resid  61 and name   HB2 ) ( resid  62 and name    HN )  2.70  0.74  0.74 ! 3388
assign (resid  32 and name   HB# ) ( resid  31 and name    HA )  4.35  2.37  2.65 ! 3391
assign (resid  32 and name   HG# ) ( resid  31 and name    HA )  4.94  3.05  2.06 ! 3392
assign (resid  25 and name  HG2# ) ( resid  26 and name   HB2 )  2.70  0.87  1.87 ! 3393
assign (resid  29 and name  HG2# ) ( resid  23 and name    HN )  5.00  3.12  2.00 ! 3402
assign (resid  59 and name   HB2 ) ( resid  23 and name    HN )  4.32  2.33  1.68 ! 3404
assign (resid  57 and name   HB2 ) ( resid  55 and name    HN )  3.57  1.59  1.59 ! 3405
assign (resid   7 and name   HB1 ) ( resid   8 and name    HN )  2.70  0.86  0.86 ! 3414
assign (resid  34 and name   HB1 ) ( resid  35 and name    HN )  2.70  0.80  0.80 ! 3417
assign (resid  31 and name    HA ) ( resid  20 and name    HN )  3.41  1.46  1.46 ! 3432
assign (resid  35 and name  HG1# ) ( resid  58 and name    HN )  5.00  3.12  2.00 ! 3433
assign (resid  61 and name   HB2 ) ( resid  23 and name    HN )  3.66  1.68  2.18 ! 3450
assign (resid  31 and name   HB1 ) ( resid  19 and name    HG )  3.12  1.22  2.22 ! 3461
assign (resid  32 and name    HN ) ( resid  22 and name    HN )  3.59  1.61  1.61 ! 3475
assign (resid  57 and name   HB1 ) ( resid  58 and name    HN )  2.70  0.91  0.91 ! 3478
assign (resid   3 and name   HB# ) ( resid   4 and name    HN )  2.91  1.06  2.06 ! 3480
assign (resid   4 and name   HB2 ) ( resid   5 and name    HN )  2.90  1.05  1.05 ! 3481
assign (resid  15 and name   HB1 ) ( resid  16 and name    HN )  2.82  0.99  0.99 ! 3484
assign (resid  17 and name    HA ) ( resid  18 and name    HN )  2.81  0.99  0.99 ! 3485
assign (resid  38 and name   HB# ) ( resid  39 and name    HN )  2.70  0.61  1.60 ! 3493
assign (resid  35 and name  HG1# ) ( resid  39 and name    HZ )  4.96  3.07  2.04 ! 3549
assign (resid  35 and name  HG2# ) ( resid  39 and name    HZ )  5.00  3.12  2.00 ! 3550
assign (resid  53 and name   HB2 ) ( resid  46 and name    HN )  4.94  3.05  1.06 ! 3552
assign (resid  10 and name   HB2 ) ( resid  11 and name    HN )  2.70  0.61  1.61 ! 3753
assign (resid  10 and name   HB1 ) ( resid  11 and name    HN )  2.70  0.90  0.90 ! 3754
assign (resid  10 and name    HA ) ( resid  11 and name    HN )  2.70  0.80  0.80 ! 3755
assign (resid  10 and name    HN ) ( resid  11 and name    HN )  2.70  0.61  1.61 ! 3756
assign (resid  26 and name   HB1 ) ( resid  27 and name    HN )  5.00  3.12  1.00 ! 3871
assign (resid  26 and name   HB2 ) ( resid  27 and name    HN )  2.70  0.82  0.82 ! 3872
assign (resid  25 and name    HA ) ( resid  57 and name  HD2# )  2.70  0.61  2.60 ! 4143
assign (resid  56 and name   HB# ) ( resid  57 and name  HD2# )  3.84  1.85  4.84 ! 4144
assign (resid  55 and name   HG# ) ( resid  57 and name  HD2# )  5.00  3.12  4.00 ! 4145
assign (resid  59 and name   HG# ) ( resid  24 and name  HD## )  3.80  1.81  6.30 ! 4146
assign (resid  59 and name   HG# ) ( resid  57 and name  HD2# )  3.09  1.20  4.19 ! 4147
assign (resid  30 and name   HB1 ) ( resid  24 and name  HD## )  5.00  3.12  4.50 ! 4148
assign (resid  35 and name  HG2# ) ( resid  39 and name   HD# )  3.09  1.20  3.19 ! 4149
assign (resid  53 and name  HD## ) ( resid  39 and name   HE# )  2.84  1.01  5.51 ! 4153
assign (resid  53 and name  HD## ) ( resid  39 and name    HZ )  2.70  0.71  4.41 ! 4154
assign (resid  13 and name   HG# ) ( resid   5 and name    HN )  4.46  2.49  2.54 ! 4156
assign (resid  21 and name    HG ) ( resid  30 and name    HN )  5.00  3.12  1.00 ! 4158
assign (resid  22 and name   HB# ) ( resid  59 and name    HN )  4.23  2.24  2.77 ! 4159
assign (resid   8 and name   HB2 ) ( resid  34 and name    HN )  5.00  3.12  1.00 ! 4165
assign (resid  30 and name   HB1 ) ( resid  35 and name    HN )  5.00  3.12  1.00 ! 4167
assign (resid  40 and name    HB ) ( resid  39 and name    HN )  4.66  2.71  1.34 ! 4168
assign (resid  15 and name   HB2 ) ( resid  14 and name    HN )  5.00  3.12  1.00 ! 4169
assign (resid  35 and name    HB ) ( resid  39 and name   HD# )  5.00  3.12  2.00 ! 4170
assign (resid  13 and name   HB1 ) ( resid  14 and name   HE# )  5.00  3.12  2.00 ! 4171
assign (resid  13 and name   HB2 ) ( resid  14 and name   HE# )  5.00  3.12  2.00 ! 4174
assign (resid  11 and name  HG2# ) ( resid  16 and name  HD2# )  2.88  1.04  3.04 ! 4175
assign (resid   8 and name   HG# ) ( resid  37 and name    HN )  2.70  0.66  2.66 ! 4182
assign (resid   8 and name   HB1 ) ( resid  37 and name    HN )  5.00  3.12  1.00 ! 4183
assign (resid  22 and name    HA ) ( resid  60 and name    HN )  5.00  3.12  1.00 ! 4184
assign (resid  31 and name    HA ) ( resid  35 and name    HN )  5.00  3.12  1.00 ! 4185
assign (resid   2 and name    HA ) ( resid  14 and name   HD# )  5.00  3.12  2.00 ! 4188
assign (resid  56 and name    HA ) ( resid  57 and name  HD2# )  4.45  2.48  3.55 ! 4190
assign (resid   2 and name    HA ) ( resid  13 and name    HN )  2.70  0.65  1.65 ! 4191
assign (resid  51 and name    HA ) ( resid  46 and name    HN )  4.84  2.92  1.16 ! 4193
assign (resid  39 and name    HA ) ( resid  43 and name    HN )  3.21  1.29  1.29 ! 4195
assign (resid  26 and name    HA ) ( resid  28 and name    HN )  5.00  3.12  1.00 ! 4197
assign (resid  49 and name   HB1 ) ( resid  51 and name    HN )  4.03  2.03  1.97 ! 4198
assign (resid   6 and name   HB2 ) ( resid  10 and name    HN )  2.70  0.83  1.83 ! 4200
assign (resid  36 and name   HB2 ) ( resid  39 and name    HN )  4.92  3.02  1.08 ! 4209
assign (resid  49 and name   HB2 ) ( resid  51 and name    HN )  5.00  3.12  1.00 ! 4210
assign (resid  26 and name   HB2 ) ( resid  51 and name    HN )  4.94  3.05  1.06 ! 4211
assign (resid  36 and name   HB1 ) ( resid  39 and name    HN )  4.91  3.01  1.09 ! 4212
assign (resid  56 and name    HA ) ( resid  43 and name    HA )  2.70  0.79  0.79 ! 4221
assign (resid  43 and name    HA ) ( resid  56 and name    HN )  3.44  1.48  1.48 ! 4223
assign (resid  54 and name    HA ) ( resid  55 and name    HN )  2.70  0.91  0.91 ! 4224
assign (resid  55 and name   HB# ) ( resid  57 and name  HD2# )  4.18  2.18  4.82 ! 4225
assign (resid  55 and name   HE# ) ( resid  57 and name  HD2# )  4.11  2.12  4.89 ! 4226
assign (resid  63 and name   HB2 ) ( resid  65 and name    HN )  4.10  2.10  1.90 ! 4227
assign (resid  31 and name    HA ) ( resid  34 and name    HN )  4.02  2.02  1.98 ! 4230
assign (resid  10 and name    HN ) ( resid   8 and name    HN )  3.01  1.13  1.13 ! 4231
assign (resid  57 and name    HN ) ( resid  58 and name    HN )  3.11  1.21  1.21 ! 4233
assign (resid  57 and name  HD2# ) ( resid  58 and name   HD# )  3.40  1.44  4.45 ! 4236
assign (resid  36 and name    HN ) ( resid  39 and name    HN )  5.00  3.12  1.00 ! 4240
assign (resid   9 and name    HN ) ( resid   8 and name    HN )  2.70  0.66  0.66 ! 4241
assign (resid  34 and name    HN ) ( resid  36 and name    HN )  3.96  1.96  1.96 ! 4246
assign (resid  44 and name    HN ) ( resid  39 and name    HZ )  5.00  3.12  1.00 ! 4253
assign (resid  58 and name    HN ) ( resid  57 and name  HD2# )  4.31  2.32  3.69 ! 4256
assign (resid  39 and name    HZ ) ( resid  24 and name  HD## )  4.63  2.68  4.87 ! 4258
assign (resid  24 and name  HD## ) ( resid  39 and name   HD# )  3.87  1.87  6.37 ! 4263
assign (resid  26 and name    HN ) ( resid  24 and name    HN )  4.75  2.83  1.25 ! 4265
assign (resid  24 and name  HD## ) ( resid  57 and name  HD2# )  3.71  1.72  7.22 ! 4270
assign (resid  23 and name    HA ) ( resid  24 and name  HD## )  4.70  2.77  4.80 ! 4272
assign (resid  22 and name    HA ) ( resid  61 and name   HB2 )  3.79  1.80  1.80 ! 4294
assign (resid  40 and name    HA ) ( resid  42 and name    HN )  4.31  2.32  1.69 ! 4296
assign (resid  34 and name    HA ) ( resid  36 and name    HN )  4.00  2.00  2.00 ! 4299
assign (resid  53 and name    HA ) ( resid  54 and name    HN )  5.00  3.12  1.00 ! 4300
assign (resid  39 and name    HN ) ( resid  40 and name    HN )  2.70  0.61  0.61 ! 4302
assign (resid  40 and name    HN ) ( resid  42 and name    HN )  5.00  3.12  1.00 ! 4306
assign (resid  37 and name    HN ) ( resid  39 and name    HN )  2.70  0.66  1.66 ! 4307
assign (resid  40 and name    HN ) ( resid  38 and name    HN )  2.70  0.61  1.81 ! 4309
assign (resid  35 and name    HA ) ( resid  39 and name    HN )  2.72  0.92  0.92 ! 4311
assign (resid  40 and name    HA ) ( resid  43 and name    HN )  5.00  3.12  1.00 ! 4312
assign (resid  40 and name    HB ) ( resid  37 and name    HA )  2.70  0.68  1.38 ! 4315
assign (resid   8 and name   HG# ) ( resid  34 and name    HA )  2.78  0.97  1.97 ! 4320
assign (resid  17 and name   HD# ) ( resid  16 and name   HB1 )  3.67  1.69  2.68 ! 4325
assign (resid  19 and name  HD## ) ( resid  21 and name    HN )  4.78  2.86  4.72 ! 4328
assign (resid  53 and name  HD## ) ( resid  44 and name    HN )  5.00  3.12  4.50 ! 4329
assign (resid  29 and name  HG2# ) ( resid   6 and name    HN )  5.00  3.12  1.00 ! 4332
assign (resid  30 and name  HD## ) ( resid  35 and name    HN )  5.00  3.12  4.50 ! 4334
assign (resid  26 and name   HB1 ) ( resid  28 and name   HE1 )  4.94  3.08  1.06 ! 4335
assign (resid  49 and name   HB1 ) ( resid  28 and name   HE1 )  2.70  0.73  2.73 ! 4337
assign (resid  45 and name   HB2 ) ( resid  50 and name    HN )  5.00  3.12  1.00 ! 4343
assign (resid  35 and name    HB ) ( resid  32 and name    HN )  5.00  3.12  1.00 ! 4344
assign (resid  23 and name    HB ) ( resid  28 and name    HN )  5.00  3.12  1.00 ! 4345
assign (resid  38 and name   HB# ) ( resid  36 and name    HN )  4.65  2.70  2.35 ! 4346
assign (resid  13 and name   HD# ) ( resid   4 and name    HN )  5.00  3.12  3.00 ! 4347
assign (resid  48 and name   HB1 ) ( resid  28 and name   HE1 )  3.94  1.94  1.94 ! 4353
assign (resid  48 and name   HG# ) ( resid  28 and name   HE1 )  3.95  1.95  2.95 ! 4354
assign (resid  34 and name    HA ) ( resid  31 and name    HN )  5.00  3.12  1.00 ! 4358
assign (resid  32 and name    HA ) ( resid  22 and name    HN )  5.00  3.12  1.00 ! 4359
assign (resid  31 and name   HB1 ) ( resid  22 and name    HN )  4.47  2.50  1.53 ! 4360
assign (resid  31 and name   HB2 ) ( resid  20 and name    HN )  4.58  2.62  1.42 ! 4361
assign (resid  31 and name   HB2 ) ( resid  22 and name    HN )  5.00  3.12  1.00 ! 4362
assign (resid  36 and name   HB2 ) ( resid  35 and name    HN )  4.47  2.50  1.53 ! 4363
assign (resid  25 and name    HA ) ( resid  24 and name    HN )  5.00  3.12  1.00 ! 4364
assign (resid  63 and name   HB1 ) ( resid  65 and name    HN )  5.00  3.12  1.00 ! 4365
assign (resid  47 and name   HD# ) ( resid  58 and name    HZ )  4.39  2.40  2.61 ! 4366
assign (resid  56 and name   HB# ) ( resid  58 and name    HZ )  5.00  3.12  2.00 ! 4367
assign (resid  24 and name   HB# ) ( resid  58 and name    HZ )  5.00  3.12  2.00 ! 4368
assign (resid   8 and name   HD# ) ( resid   9 and name    HN )  4.97  3.09  2.03 ! 4375
assign (resid  31 and name    HA ) ( resid   6 and name   HB2 )  5.00  3.12  1.00 ! 4378
assign (resid   5 and name   HA# ) ( resid   6 and name   HB2 )  4.65  2.70  2.35 ! 4380
assign (resid  12 and name    HA ) ( resid   6 and name   HB2 )  3.89  1.89  1.89 ! 4381
assign (resid  45 and name    HA ) ( resid  46 and name   HB1 )  3.78  1.79  1.79 ! 4382
assign (resid  30 and name    HA ) ( resid  34 and name   HB2 )  3.93  1.93  1.93 ! 4383
assign (resid  30 and name    HA ) ( resid   7 and name   HG# )  4.29  2.30  2.71 ! 4384
assign (resid  36 and name    HA ) ( resid  35 and name    HB )  4.78  2.85  1.22 ! 4386
assign (resid  36 and name    HA ) ( resid  35 and name    HA )  4.96  3.08  1.04 ! 4387
assign (resid  32 and name    HA ) ( resid  35 and name    HA )  4.10  2.10  1.90 ! 4395
assign (resid  34 and name   HB2 ) ( resid   8 and name   HB1 )  4.16  2.17  1.84 ! 4398
assign (resid  36 and name   HB1 ) ( resid  35 and name    HB )  5.00  3.12  1.00 ! 4401
assign (resid  34 and name   HB1 ) ( resid  30 and name   HB1 )  2.90  1.05  1.55 ! 4402
assign (resid  34 and name   HB2 ) ( resid   8 and name   HG# )  5.00  3.12  2.00 ! 4404
assign (resid  34 and name   HB1 ) ( resid  30 and name    HG )  2.70  0.68  0.68 ! 4410
assign (resid  58 and name   HB1 ) ( resid  35 and name  HG2# )  4.34  2.36  2.66 ! 4420
assign (resid  34 and name   HB2 ) ( resid  30 and name  HD## )  4.32  2.33  5.18 ! 4421
assign (resid  32 and name   HG# ) ( resid  35 and name  HG2# )  4.62  2.67  3.38 ! 4422
assign (resid   8 and name   HB1 ) ( resid  30 and name    HG )  2.70  0.67  1.67 ! 4431
assign (resid   6 and name   HB1 ) ( resid  12 and name    HA )  3.79  1.79  1.79 ! 4433
assign (resid  38 and name   HB# ) ( resid  34 and name    HA )  2.70  0.75  1.75 ! 4436
assign (resid  30 and name  HD## ) ( resid  22 and name   HG# )  5.00  3.12  5.50 ! 4447
assign (resid  30 and name    HG ) ( resid  22 and name   HG# )  2.86  1.03  2.03 ! 4448
assign (resid  25 and name  HG1# ) ( resid  26 and name   HB2 )  4.44  2.47  2.56 ! 4452
assign (resid  49 and name   HB2 ) ( resid  28 and name   HE1 )  2.70  0.61  1.60 ! 4464
assign (resid  56 and name    HA ) ( resid  39 and name   HD# )  4.43  2.45  2.57 ! 4470
assign (resid  51 and name  HG2# ) ( resid  46 and name   HB2 )  3.52  1.54  2.55 ! 4476
assign (resid  13 and name   HD# ) ( resid  12 and name    HA )  2.70  0.78  2.78 ! 4477
assign (resid  32 and name   HB# ) ( resid  31 and name   HB1 )  4.04  2.04  2.96 ! 4482
assign (resid  48 and name   HB2 ) ( resid  49 and name   HB2 )  3.68  1.69  1.69 ! 4483
assign (resid  52 and name   HD# ) ( resid  51 and name    HB )  3.96  1.96  2.96 ! 4497
assign (resid  38 and name    HA ) ( resid   8 and name   HB2 )  5.00  3.12  1.00 ! 4504
assign (resid  20 and name    HA ) ( resid  21 and name   HB1 )  3.83  1.83  1.83 ! 4505
assign (resid  29 and name    HA ) ( resid  23 and name    HN )  5.00  3.12  1.00 ! 4512
assign (resid  50 and name   HA# ) ( resid  48 and name    HN )  5.00  3.12  2.00 ! 4513
assign (resid  56 and name   HB# ) ( resid  39 and name   HB1 )  3.78  1.79  2.79 ! 4516
assign (resid  56 and name   HB# ) ( resid  58 and name   HB1 )  4.38  2.40  2.62 ! 4517
assign (resid  22 and name    HA ) ( resid  58 and name   HB2 )  4.22  2.23  1.78 ! 4518
assign (resid  17 and name   HD# ) ( resid  16 and name   HB2 )  4.57  2.61  2.43 ! 4519
assign (resid  16 and name    HA ) ( resid  17 and name   HB# )  5.00  3.12  2.00 ! 4521
assign (resid  16 and name    HA ) ( resid  17 and name   HG# )  3.24  1.32  2.32 ! 4522
assign (resid  45 and name    HA ) ( resid  53 and name   HB2 )  4.94  3.06  1.06 ! 4523
assign (resid   6 and name    HA ) ( resid   7 and name   HG# )  4.09  2.09  2.91 ! 4526
assign (resid  17 and name    HA ) ( resid  13 and name   HB2 )  3.64  1.65  1.65 ! 4530
assign (resid  17 and name    HA ) ( resid  13 and name   HB1 )  3.30  1.36  1.36 ! 4531
assign (resid  39 and name   HB1 ) ( resid  35 and name  HG2# )  5.00  3.12  2.00 ! 4532
assign (resid  28 and name   HB2 ) ( resid  48 and name   HB1 )  3.18  1.26  1.26 ! 4535
assign (resid  58 and name   HB1 ) ( resid  35 and name    HB )  3.74  1.75  1.75 ! 4538
assign (resid  58 and name   HB2 ) ( resid  22 and name   HG# )  4.16  2.17  2.84 ! 4540
assign (resid  49 and name   HB2 ) ( resid  48 and name   HG# )  3.58  1.60  2.60 ! 4541
assign (resid  31 and name   HB2 ) ( resid  19 and name    HG )  3.23  1.30  2.30 ! 4543
assign (resid  21 and name   HB2 ) ( resid  29 and name    HB )  4.02  2.02  1.98 ! 4548
assign (resid  12 and name  HG2# ) ( resid  19 and name    HA )  4.06  2.06  2.94 ! 4549
assign (resid  25 and name  HG2# ) ( resid  57 and name   HB1 )  3.52  1.55  2.55 ! 4559
assign (resid  35 and name    HB ) ( resid  36 and name   HB2 )  4.60  2.64  1.40 ! 4566
assign (resid  48 and name   HB1 ) ( resid  49 and name   HB2 )  5.00  3.12  1.00 ! 4569
assign (resid  51 and name  HG2# ) ( resid  52 and name   HB1 )  5.00  3.12  2.00 ! 4572
assign (resid  26 and name    HA ) ( resid  28 and name   HE1 )  4.53  2.57  1.47 ! 4574
assign (resid  49 and name    HA ) ( resid  28 and name   HE1 )  3.18  1.27  2.27 ! 4575
assign (resid  34 and name   HB1 ) ( resid  38 and name  HD## )  2.94  1.08  5.58 ! 4581
assign (resid   6 and name    HA ) ( resid  31 and name   HB1 )  5.00  3.12  1.00 ! 4585
assign (resid   6 and name   HB1 ) ( resid   9 and name    HN )  2.84  1.01  1.71 ! 4586
assign (resid   6 and name   HB2 ) ( resid   9 and name    HN )  2.70  0.66  2.16 ! 4587
assign (resid   7 and name    HA ) ( resid   8 and name    HN )  2.70  0.70  0.70 ! 4594
assign (resid   8 and name   HB2 ) ( resid  34 and name    HA )  2.70  0.61  0.61 ! 4595
assign (resid  34 and name    HA ) ( resid   9 and name    HN )  5.00  3.12  1.00 ! 4597
assign (resid   9 and name   HB1 ) ( resid  33 and name   HB1 )  3.71  1.72  1.72 ! 4598
assign (resid  12 and name    HA ) ( resid  14 and name    HN )  2.70  0.80  1.80 ! 4600
assign (resid  11 and name    HA ) ( resid  15 and name    HN )  2.97  1.10  1.10 ! 4601
assign (resid  11 and name    HA ) ( resid  15 and name   HB2 )  2.70  0.68  1.68 ! 4602
assign (resid  11 and name    HA ) ( resid  15 and name   HB1 )  2.70  0.67  0.67 ! 4603
assign (resid  13 and name    HA ) ( resid  15 and name    HN )  3.36  1.42  1.42 ! 4611
assign (resid  16 and name   HB1 ) ( resid  19 and name    HN )  3.52  1.55  1.55 ! 4614
assign (resid  16 and name   HB2 ) ( resid  18 and name    HN )  5.00  3.12  1.00 ! 4615
assign (resid  16 and name   HB1 ) ( resid  18 and name    HN )  5.00  3.12  1.00 ! 4616
assign (resid  17 and name    HA ) ( resid  19 and name    HN )  2.70  0.87  0.87 ! 4617
assign (resid  32 and name    HA ) ( resid  20 and name    HN )  2.88  1.04  1.04 ! 4618
assign (resid  60 and name    HB ) ( resid  22 and name    HN )  2.70  0.84  0.84 ! 4620
assign (resid  30 and name    HA ) ( resid  22 and name    HN )  5.00  3.12  1.00 ! 4621
assign (resid  30 and name   HB1 ) ( resid  22 and name    HN )  2.70  0.90  1.90 ! 4622
assign (resid  30 and name   HB2 ) ( resid  22 and name    HN )  4.00  2.00  2.00 ! 4623
assign (resid  60 and name    HB ) ( resid  22 and name    HA )  2.70  0.62  0.62 ! 4624
assign (resid  58 and name   HB2 ) ( resid  22 and name   HB# )  2.85  1.01  2.01 ! 4627
assign (resid  58 and name   HB1 ) ( resid  22 and name    HN )  3.08  1.19  2.39 ! 4628
assign (resid  58 and name   HB1 ) ( resid  22 and name   HB# )  3.74  1.75  2.75 ! 4629
assign (resid  22 and name   HB# ) ( resid  60 and name    HN )  2.70  0.61  1.61 ! 4630
assign (resid  30 and name    HN ) ( resid  23 and name    HN )  5.00  3.12  1.00 ! 4631
assign (resid  60 and name    HB ) ( resid  23 and name    HN )  2.70  0.81  1.81 ! 4633
assign (resid  58 and name   HB1 ) ( resid  23 and name    HN )  5.00  3.12  1.00 ! 4634
assign (resid  60 and name    HN ) ( resid  23 and name    HN )  5.00  3.12  1.00 ! 4635
assign (resid  24 and name    HA ) ( resid  26 and name    HN )  5.00  3.12  1.00 ! 4636
assign (resid  22 and name   HB# ) ( resid  30 and name    HN )  5.00  3.12  2.00 ! 4637
assign (resid  33 and name   HB1 ) ( resid  31 and name   HB2 )  4.43  2.45  1.57 ! 4639
assign (resid  34 and name   HB1 ) ( resid  31 and name    HA )  5.00  3.12  1.00 ! 4641
assign (resid  36 and name    HA ) ( resid  40 and name    HB )  3.52  1.55  1.55 ! 4643
assign (resid  38 and name    HN ) ( resid  39 and name    HN )  2.70  0.66  1.66 ! 4645
assign (resid  39 and name    HA ) ( resid  40 and name    HN )  2.70  0.67  0.67 ! 4647
assign (resid  39 and name   HB2 ) ( resid  40 and name    HN )  2.70  0.61  0.61 ! 4648
assign (resid  39 and name   HB1 ) ( resid  40 and name    HN )  2.70  0.66  0.66 ! 4649
assign (resid  39 and name    HA ) ( resid  44 and name    HN )  5.00  3.12  1.00 ! 4650
assign (resid  39 and name    HA ) ( resid  43 and name    HA )  5.00  3.12  1.00 ! 4653
assign (resid  41 and name    HA ) ( resid  43 and name    HN )  5.00  3.12  1.00 ! 4654
assign (resid  53 and name   HB1 ) ( resid  44 and name    HN )  5.00  3.12  1.00 ! 4655
assign (resid  53 and name   HB2 ) ( resid  44 and name    HN )  3.82  1.83  1.83 ! 4656
assign (resid  48 and name   HB1 ) ( resid  49 and name    HA )  4.33  2.35  1.67 ! 4657
assign (resid  48 and name   HB2 ) ( resid  49 and name    HA )  4.12  2.12  1.88 ! 4658
assign (resid  49 and name   HB1 ) ( resid  50 and name    HN )  5.00  3.12  1.00 ! 4660
assign (resid  52 and name    HA ) ( resid  53 and name    HN )  4.27  2.27  1.73 ! 4661
assign (resid  53 and name   HB2 ) ( resid  55 and name    HN )  2.70  0.80  0.80 ! 4662
assign (resid  55 and name    HA ) ( resid  56 and name    HN )  2.70  0.77  0.77 ! 4663
assign (resid  56 and name    HA ) ( resid  55 and name    HN )  2.86  1.02  1.02 ! 4664
assign (resid  56 and name    HA ) ( resid  57 and name    HN )  3.14  1.23  1.23 ! 4666
assign (resid  12 and name    HB ) ( resid  16 and name  HD2# )  5.00  3.12  2.00 ! 4667
assign (resid   4 and name   HB1 ) ( resid   4 and name    HN )  3.40  3.40  0.30 ! 1958
assign (resid   4 and name   HB2 ) ( resid   4 and name    HN )  2.70  2.70  0.30 ! 1920
assign (resid   6 and name   HB1 ) ( resid   6 and name    HN )  3.40  3.40  0.30 ! 1706
assign (resid   6 and name   HB2 ) ( resid   6 and name    HN )  2.70  2.70  0.30 ! 1403
assign (resid   8 and name   HB2 ) ( resid   8 and name    HN )  3.80  3.80  0.30 ! 2078
assign (resid   8 and name   HB1 ) ( resid   8 and name    HN )  2.80  2.80  0.30 ! 1814
assign (resid   9 and name   HB1 ) ( resid   9 and name    HN )  3.80  3.80  0.30 ! 1492
assign (resid   9 and name   HB2 ) ( resid   9 and name    HN )  2.80  2.80  0.30 ! 1720
assign (resid  10 and name   HB1 ) ( resid  10 and name    HN )  3.80  3.80  0.30 ! 2043
assign (resid  10 and name   HB2 ) ( resid  10 and name    HN )  2.80  2.80  0.30 ! 2080
assign (resid  11 and name    HB ) ( resid  11 and name    HN )  2.70  2.70  0.30 ! 4194
assign (resid  11 and name    HA ) ( resid  11 and name    HN )  3.20  3.20  0.30 ! 4194
assign (resid  12 and name    HB ) ( resid  12 and name    HN )  2.70  2.70  0.30 ! 3427
assign (resid  12 and name    HA ) ( resid  12 and name    HN )  3.20  3.20  0.30 ! 3427
assign (resid  13 and name   HB1 ) ( resid  13 and name    HN )  3.80  3.80  0.30 ! 3482
assign (resid  13 and name   HB2 ) ( resid  13 and name    HN )  2.80  2.80  0.30 ! 2309
assign (resid  15 and name   HB1 ) ( resid  15 and name    HN )  2.70  2.70  0.30 ! 1912
assign (resid  15 and name   HB2 ) ( resid  15 and name    HN )  3.40  3.40  0.30 ! 2001
assign (resid  16 and name   HB1 ) ( resid  16 and name    HN )  2.70  2.70  0.30 ! 1663
assign (resid  16 and name   HB2 ) ( resid  16 and name    HN )  3.40  3.40  0.30 ! 1614
assign (resid  21 and name   HB1 ) ( resid  21 and name    HN )  2.70  2.70  0.30 ! 2170
assign (resid  21 and name   HB2 ) ( resid  21 and name    HN )  3.80  3.80  0.30 ! 1970
assign (resid  23 and name    HA ) ( resid  23 and name    HB )  3.20  3.20  0.30 ! 959 
assign (resid  23 and name    HB ) ( resid  23 and name    HN )  2.80  2.80  0.30 ! 1946
assign (resid  25 and name    HA ) ( resid  25 and name    HB )  2.80  2.80  0.30 ! 3848
assign (resid  25 and name    HB ) ( resid  25 and name    HN )  3.80  3.80  0.30 ! 1810
assign (resid  26 and name   HB1 ) ( resid  26 and name    HN )  3.80  3.80  0.30 ! 1501
assign (resid  26 and name   HB2 ) ( resid  26 and name    HN )  2.80  2.80  0.30 ! 1654
assign (resid  28 and name   HB1 ) ( resid  28 and name    HN )  2.70  2.70  0.30 ! 1542
assign (resid  28 and name   HB2 ) ( resid  28 and name    HN )  3.80  3.80  0.30 ! 1445
assign (resid  29 and name    HA ) ( resid  29 and name    HB )  3.20  3.20  0.30 ! 907 
assign (resid  29 and name    HB ) ( resid  29 and name    HN )  2.80  2.80  0.30 ! 3295
assign (resid  31 and name   HB1 ) ( resid  31 and name    HN )  3.80  3.80  0.30 ! 1425
assign (resid  31 and name   HB2 ) ( resid  31 and name    HN )  2.80  2.80  0.30 ! 1635
assign (resid  33 and name   HB2 ) ( resid  33 and name    HN )  3.80  3.80  0.30 ! 1258
assign (resid  33 and name   HB1 ) ( resid  33 and name    HN )  2.70  2.70  0.30 ! 3361
assign (resid  34 and name   HB2 ) ( resid  34 and name    HN )  3.40  3.40  0.30 ! 1629
assign (resid  34 and name   HB1 ) ( resid  34 and name    HN )  2.70  2.70  0.30 ! 1468
assign (resid  35 and name    HA ) ( resid  35 and name    HB )  3.20  3.20  0.30 ! 1462
assign (resid  35 and name    HB ) ( resid  35 and name    HN )  2.70  2.70  0.30 ! 1938
assign (resid  36 and name   HB1 ) ( resid  36 and name    HN )  3.80  3.80  0.30 ! 1696
assign (resid  36 and name   HB2 ) ( resid  36 and name    HN )  2.80  2.80  0.30 ! 1652
assign (resid  39 and name   HB2 ) ( resid  39 and name    HN )  3.40  3.40  0.30 ! 1571
assign (resid  39 and name   HB1 ) ( resid  39 and name    HN )  2.70  2.70  0.30 ! 1532
assign (resid  40 and name    HB ) ( resid  40 and name    HA )  3.20  3.20  0.30 ! 1790
assign (resid  40 and name    HB ) ( resid  40 and name    HN )  2.70  2.70  0.80 ! 1789
assign (resid  41 and name   HB1 ) ( resid  41 and name    HN )  3.10  3.10  0.30 ! 1835
assign (resid  41 and name   HB2 ) ( resid  41 and name    HN )  4.00  4.00  0.03 ! 1956
assign (resid  45 and name   HB1 ) ( resid  45 and name    HN )  3.10  3.10  0.30 ! 1794
assign (resid  45 and name   HB2 ) ( resid  45 and name    HN )  4.00  4.00  0.30 ! 1734
assign (resid  46 and name   HB1 ) ( resid  46 and name    HN )  3.40  3.40  0.30 ! 1522
assign (resid  46 and name   HB2 ) ( resid  46 and name    HN )  2.70  2.70  0.30 ! 1472
assign (resid  48 and name   HB1 ) ( resid  48 and name    HN )  3.80  3.80  0.30 ! 2175
assign (resid  48 and name   HB2 ) ( resid  48 and name    HN )  2.80  2.80  0.30 ! 2257
assign (resid  49 and name   HB1 ) ( resid  49 and name    HN )  3.80  3.80  0.30 ! 4336
assign (resid  49 and name   HB2 ) ( resid  49 and name    HN )  2.80  2.80  0.30 ! 1684
assign (resid  51 and name    HA ) ( resid  51 and name    HB )  3.20  3.20  0.30 ! 2866
assign (resid  51 and name    HB ) ( resid  51 and name    HN )  2.80  2.80  0.30 ! 1193
assign (resid  57 and name   HB1 ) ( resid  57 and name    HN )  3.80  3.80  0.30 ! 4203
assign (resid  57 and name   HB2 ) ( resid  57 and name    HN )  2.80  2.80  0.30 ! 4202
assign (resid  58 and name   HB1 ) ( resid  58 and name    HN )  2.70  2.70  0.30 ! 1555
assign (resid  58 and name   HB2 ) ( resid  58 and name    HN )  3.80  3.80  0.30 ! 1590
assign (resid  59 and name   HB1 ) ( resid  59 and name    HN )  3.40  3.40  0.30 ! 3358
assign (resid  59 and name   HB2 ) ( resid  59 and name    HN )  3.10  3.10  0.30 ! 2055
assign (resid  60 and name    HA ) ( resid  60 and name    HB )  3.20  3.20  0.30 ! 1209
assign (resid  60 and name    HB ) ( resid  60 and name    HN )  2.80  2.80  0.30 ! 1927
assign (resid  61 and name   HB1 ) ( resid  61 and name    HN )  3.40  3.40  0.30 ! 1988
assign (resid  61 and name   HB2 ) ( resid  61 and name    HN )  2.70  2.70  0.30 ! 2146
assign (resid  62 and name   HB1 ) ( resid  62 and name    HN )  3.40  3.40  0.30 ! 2154
assign (resid  62 and name   HB2 ) ( resid  62 and name    HN )  2.70  2.70  0.30 ! 2206
assign (resid  63 and name   HB1 ) ( resid  63 and name    HN )  3.40  3.40  0.30 ! 2731
assign (resid  63 and name   HB2 ) ( resid  63 and name    HN )  3.10  3.10  0.30 ! 1517
assign (resid  28 and name    HA ) ( resid  28 and name   HD2 )  2.20  0.61  0.61 ! 912 
assign (resid  28 and name   HB2 ) ( resid  28 and name   HD2 )  2.84  1.01  1.01 ! 1446
assign (resid  28 and name   HB1 ) ( resid  28 and name   HE1 )  4.80  3.78  1.20 ! 3886

!! H-BONDS :
!! B-sheets :
assign (resid  23 and name     O ) ( resid  59 and name     N )  2.90  0.30  0.50 !
assign (resid  23 and name     O ) ( resid  59 and name    HN )  1.90  0.50  0.10 !
assign (resid  23 and name    HN ) ( resid  59 and name     O )  1.90  0.50  0.10 !
assign (resid  23 and name     N ) ( resid  59 and name     O )  2.90  0.30  0.50 !
assign (resid  61 and name     O ) ( resid  21 and name     N )  2.90  0.30  0.50 !
assign (resid  61 and name     O ) ( resid  21 and name    HN )  1.90  0.50  0.10 !
assign (resid  61 and name     N ) ( resid  21 and name     O )  2.90  0.30  0.50 !
assign (resid  61 and name    HN ) ( resid  21 and name     O )  1.90  0.50  0.10 !
assign (resid  22 and name     O ) ( resid  30 and name     N )  2.90  0.30  0.50 !
assign (resid  22 and name     O ) ( resid  30 and name    HN )  1.90  0.50  0.10 !
assign (resid  22 and name    HN ) ( resid  30 and name     O )  1.90  0.50  0.10 !
assign (resid  22 and name     N ) ( resid  30 and name     O )  2.90  0.30  0.50 !
assign (resid  20 and name     O ) ( resid  32 and name     N )  2.90  0.30  0.50 !
assign (resid  20 and name     O ) ( resid  32 and name    HN )  1.90  0.50  0.10 !
!! A-helix 2 :
assign (resid  34 and name     O ) ( resid  38 and name    HN )  1.90  0.50  0.10 !
assign (resid  34 and name     O ) ( resid  38 and name     N )  2.90  0.30  0.50 !
assign (resid  35 and name     O ) ( resid  39 and name    HN )  1.90  0.50  0.10 !
assign (resid  35 and name     O ) ( resid  39 and name     N )  2.90  0.30  0.50 !
assign (resid  36 and name     O ) ( resid  40 and name    HN )  1.90  0.50  0.10 !
assign (resid  36 and name     O ) ( resid  40 and name     N )  2.90  0.30  0.50 !
assign (resid  37 and name     O ) ( resid  41 and name    HN )  1.90  0.50  0.10 !
assign (resid  37 and name     O ) ( resid  41 and name     N )  2.90  0.30  0.50 !

! binding site ZN1
 assign ( segid  "zn" and resid 1 and name zn  )(resid  6  and name  sg  )  2.4 2.2 0.2 
 assign ( segid  "zn" and resid 1 and name zn  )(resid  9  and name  sg  )  2.4 2.2 0.2
 assign ( segid  "zn" and resid 1 and name zn  )(resid  31  and name  sg  )  2.4 2.2 0.2
 assign ( segid  "zn" and resid 1 and name zn  )(resid  34  and name  sg  )  2.4 2.2 0.2
! binding site ZN2
 assign ( segid  "zn" and resid 2 and name zn  )(resid  26  and name  sg  )  2.4 2.2 0.2 
 assign ( segid  "zn" and resid 2 and name zn  )(resid  46  and name  sg  )  2.4 2.2 0.2
 assign ( segid  "zn" and resid 2 and name zn  )(resid  49  and name  sg  )  2.4 2.2 0.2
 assign ( segid  "zn" and resid 2 and name zn  )(resid  28  and name  nd1  )  2.4 2.2 0.2


!! Phi & PSI dihedral restraints on B-sheets :
 assign (resid   20 and name c )   (resid   21 and name n ) 
 (resid   21 and name ca)   (resid   21 and name c )  1.0 -140.0 50.0 2
 assign (resid   21 and name n )   (resid   21 and name ca )
 (resid   21 and name c )   (resid   22 and name n)  1.0 135.0 40.0 2
 assign (resid   21 and name c )   (resid   22 and name n ) 
 (resid   22 and name ca)   (resid   22 and name c )  1.0 -140.0 50.0 2
 assign (resid   22 and name n )   (resid   22 and name ca )
 (resid   22 and name c )   (resid   23 and name n)  1.0 135.0 40.0 2
 assign (resid   22 and name c )   (resid   23 and name n ) 
 (resid   23 and name ca)   (resid   23 and name c )  1.0 -140.0 50.0 2
 assign (resid   23 and name n )   (resid   23 and name ca )
 (resid   23 and name c )   (resid   24 and name n)  1.0 135.0 40.0 2
 assign (resid   23 and name c )   (resid   24 and name n ) 
 (resid   24 and name ca)   (resid   24 and name c )  1.0 -140.0 50.0 2
 assign (resid   24 and name n )   (resid   24 and name ca )
 (resid   24 and name c )   (resid   25 and name n)  1.0 135.0 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 -140.0 50.0 2
 assign (resid   29 and name n )   (resid   29 and name ca )
 (resid   29 and name c )   (resid   30 and name n)  1.0 135.0 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 -140.0 50.0 2
 assign (resid   30 and name n )   (resid   30 and name ca )
 (resid   30 and name c )   (resid   31 and name n)  1.0 135.0 40.0 2
 assign (resid   57 and name c )   (resid   58 and name n ) 
 (resid   58 and name ca)   (resid   58 and name c )  1.0 -140.0 50.0 2
 assign (resid   58 and name n )   (resid   58 and name ca )
 (resid   58 and name c )   (resid   59 and name n)  1.0 135.0 40.0 2
 assign (resid   58 and name c )   (resid   59 and name n ) 
 (resid   59 and name ca)   (resid   59 and name c )  1.0 -140.0 50.0 2
 assign (resid   59 and name n )   (resid   59 and name ca )
 (resid   59 and name c )   (resid   60 and name n)  1.0 135.0 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 -140.0 50.0 2
 assign (resid   60 and name n )   (resid   60 and name ca )
 (resid   60 and name c )   (resid   61 and name n)  1.0 135.0 40.0 2
 assign (resid   60 and name c )   (resid   61 and name n ) 
 (resid   61 and name ca)   (resid   61 and name c )  1.0 -140.0 50.0 2
 assign (resid   61 and name n )   (resid   61 and name ca )
 (resid   61 and name c )   (resid   62 and name n)  1.0 135.0 40.0 2

!! Phi & PSI dihedral restraints on A-helixes :
 assign (resid  12 and name c )   (resid  13 and name n )
        (resid  13 and name ca)   (resid  13   and name c )  1.0 -57.0 30.0 2
 assign (resid  13 and name n )   (resid  13 and name ca)
        (resid  13 and name c )   (resid  14   and name n )  1.0  -47.0 30.0 2
 assign (resid  13 and name c )   (resid  14 and name n )
        (resid  14 and name ca)   (resid  14   and name c )  1.0 -57.0 30.0 2
 assign (resid  14 and name n )   (resid  14 and name ca)
        (resid  14 and name c )   (resid  15   and name n )  1.0  -47.0 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 -57.0 30.0 2
 assign (resid  15 and name n )   (resid  15 and name ca)
        (resid  15 and name c )   (resid  16   and name n )  1.0  -47.0 30.0 2
 assign (resid  33 and name c )   (resid  34 and name n )
        (resid  34 and name ca)   (resid  34   and name c )  1.0 -57.0 30.0 2
 assign (resid  34 and name n )   (resid  34 and name ca)
        (resid  34 and name c )   (resid  35   and name n )  1.0  -47.0 30.0 2
 assign (resid  34 and name c )   (resid  35 and name n )
        (resid  35 and name ca)   (resid  35   and name c )  1.0 -57.0 30.0 2
 assign (resid  35 and name n )   (resid  35 and name ca)
        (resid  35 and name c )   (resid  36   and name n )  1.0  -47.0 30.0 2
 assign (resid  35 and name c )   (resid  36 and name n )
        (resid  36 and name ca)   (resid  36   and name c )  1.0 -57.0 30.0 2
 assign (resid  36 and name n )   (resid  36 and name ca)
        (resid  36 and name c )   (resid  37   and name n )  1.0  -47.0 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 -57.0 30.0 2
 assign (resid  37 and name n )   (resid  37 and name ca)
        (resid  37 and name c )   (resid  38   and name n )  1.0  -47.0 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 -57.0 30.0 2
 assign (resid  38 and name n )   (resid  38 and name ca)
        (resid  38 and name c )   (resid  39   and name n )  1.0  -47.0 30.0 2
 assign (resid  38 and name c )   (resid  39 and name n )
        (resid  39 and name ca)   (resid  39   and name c )  1.0 -57.0 30.0 2
 assign (resid  39 and name n )   (resid  39 and name ca)
        (resid  39 and name c )   (resid  40   and name n )  1.0  -47.0 30.0 2
 assign (resid  39 and name c )   (resid  40 and name n )
        (resid  40 and name ca)   (resid  40   and name c )  1.0 -57.0 30.0 2
 assign (resid  40 and name n )   (resid  40 and name ca)
        (resid  40 and name c )   (resid  41   and name n )  1.0  -47.0 30.0 2

!! CHI1 stereospecific restraints :
 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 50.0 2
 assign (resid   6 and name  n )   (resid   6 and name ca )
        (resid   6 and name cb )   (resid   6 and name sg )  1.0 180.0 50.0 2
 assign (resid   8 and name  n )   (resid   8 and name ca )
        (resid   8 and name cb )   (resid   8 and name cg )  1.0 180.0 50.0 2
 assign (resid   9 and name  n )   (resid   9 and name ca )
        (resid   9 and name cb )   (resid   9 and name sg )  1.0 +60.0 50.0 2
 assign (resid  10 and name  n )   (resid  10 and name ca )
        (resid  10 and name cb )   (resid  10 and name cg )  1.0 +60.0 50.0 2
 assign (resid  13 and name  n )   (resid  13 and name ca )
        (resid  13 and name cb )   (resid  13 and name cg )  1.0 +60.0 50.0 2
 assign (resid  15 and name  n )   (resid  15 and name ca )
        (resid  15 and name cb )   (resid  15 and name cg )  1.0 -60.0 50.0 2
 assign (resid  16 and name  n )   (resid  16 and name ca )
        (resid  16 and name cb )   (resid  16 and name cg )  1.0 -60.0 50.0 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 50.0 2
 assign (resid  26 and name  n )   (resid  26 and name ca )
        (resid  26 and name cb )   (resid  26 and name sg )  1.0 +60.0 50.0 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 50.0 2
 assign (resid  31 and name  n )   (resid  31 and name ca )
        (resid  31 and name cb )   (resid  31 and name sg )  1.0 +60.0 50.0 2
 assign (resid  33 and name  n )   (resid  33 and name ca )
        (resid  33 and name cb )   (resid  33 and name og )  1.0 -60.0 50.0 2
 assign (resid  34 and name  n )   (resid  34 and name ca )
        (resid  34 and name cb )   (resid  34 and name sg )  1.0 -60.0 50.0 2
 assign (resid  36 and name  n )   (resid  36 and name ca )
        (resid  36 and name cb )   (resid  36 and name cg )  1.0 +60.0 50.0 2
 assign (resid  39 and name  n )   (resid  39 and name ca )
        (resid  39 and name cb )   (resid  39 and name cg )  1.0 -60.0 50.0 2
 assign (resid  41 and name  n )   (resid  41 and name ca )
        (resid  41 and name cb )   (resid  41 and name cg )  1.0 -60.0 50.0 2
 assign (resid  45 and name  n )   (resid  45 and name ca )
        (resid  45 and name cb )   (resid  45 and name cg )  1.0 -60.0 50.0 2
 assign (resid  46 and name  n )   (resid  46 and name ca )
        (resid  46 and name cb )   (resid  46 and name sg )  1.0 180.0 50.0 2
 assign (resid  48 and name  n )   (resid  48 and name ca )
        (resid  48 and name cb )   (resid  48 and name cg )  1.0 +60.0 50.0 2
 assign (resid  49 and name  n )   (resid  49 and name ca )
        (resid  49 and name cb )   (resid  49 and name sg )  1.0 +60.0 50.0 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 50.0 2
 assign (resid  58 and name  n )   (resid  58 and name ca )
        (resid  58 and name cb )   (resid  58 and name cg )  1.0 -60.0 50.0 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 50.0 2
 assign (resid  61 and name  n )   (resid  61 and name ca )
        (resid  61 and name cb )   (resid  61 and name cg )  1.0 +60.0 50.0 2
 assign (resid  62 and name  n )   (resid  62 and name ca )
        (resid  62 and name cb )   (resid  62 and name cg )  1.0 180.0 50.0 2
 assign (resid  63 and name  n )   (resid  63 and name ca )
        (resid  63 and name cb )   (resid  63 and name cg )  1.0 180.0 50.0 2
 assign (resid  23 and name  n )   (resid  23 and name ca )
        (resid  23 and name cb )   (resid  23 and name cg1 )  1.0 180.0 50.0 2
 assign (resid  25 and name  n )   (resid  25 and name ca )
        (resid  25 and name cb )   (resid  25 and name cg1 )  1.0 +60.0 50.0 2
 assign (resid  35 and name  n )   (resid  35 and name ca )
        (resid  35 and name cb )   (resid  35 and name cg1 )  1.0 180.0 50.0 2
 assign (resid  40 and name  n )   (resid  40 and name ca )
        (resid  40 and name cb )   (resid  40 and name cg1 )  1.0 -60.0 50.0 2
 assign (resid  60 and name  n )   (resid  60 and name ca )
        (resid  60 and name cb )   (resid  60 and name cg1 )  1.0 +60.0 50.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -13.078  -3.106 -10.283
    2   2H    MET   1          2HT       MET   1 -13.665  -3.617  -8.774
    3   3H    MET   1          3HT       MET   1 -12.178  -4.201  -9.352
    4    HA   MET   1           HA       MET   1 -11.085  -2.180  -8.992
    5   1HB   MET   1          1HB       MET   1 -12.602  -0.158  -8.464
    6   2HB   MET   1          2HB       MET   1 -12.622  -0.757 -10.122
    7   1HG   MET   1          1HG       MET   1 -14.688  -1.922  -9.765
    8   2HG   MET   1          2HG       MET   1 -14.598  -1.680  -8.020
    9   1HE   MET   1          1HE       MET   1 -14.258   0.301 -11.328
   10   2HE   MET   1          2HE       MET   1 -13.266   1.173 -10.162
   11   3HE   MET   1          3HE       MET   1 -14.705   1.939 -10.832
   12    H    ASP   2           H        ASP   2 -12.712  -4.295  -7.272
   13    HA   ASP   2           HA       ASP   2 -12.219  -2.900  -4.660
   14   1HB   ASP   2          1HB       ASP   2 -14.357  -4.972  -5.212
   15   2HB   ASP   2          2HB       ASP   2 -14.237  -3.886  -3.828
   16    H    ASP   3           H        ASP   3 -12.954  -6.208  -5.841
   17    HA   ASP   3           HA       ASP   3 -11.853  -8.255  -5.421
   18   1HB   ASP   3          1HB       ASP   3 -10.022  -6.492  -6.262
   19   2HB   ASP   3          2HB       ASP   3  -9.402  -6.737  -4.629
   20    H    GLN   4           H        GLN   4  -9.627  -8.469  -3.450
   21    HA   GLN   4           HA       GLN   4 -11.185  -8.991  -1.080
   22   1HB   GLN   4          1HB       GLN   4  -9.197 -10.261  -1.682
   23   2HB   GLN   4          2HB       GLN   4  -8.209  -8.800  -1.644
   24   1HG   GLN   4          1HG       GLN   4  -8.767  -8.550   0.784
   25   2HG   GLN   4          2HG       GLN   4  -9.622 -10.091   0.710
   26   1HE2  GLN   4          1HE2      GLN   4  -6.465  -8.597   0.895
   27   2HE2  GLN   4          2HE2      GLN   4  -5.566 -10.037   0.931
   28    H    GLY   5           H        GLY   5  -9.942  -6.085  -2.320
   29   1HA   GLY   5          1HA       GLY   5 -10.106  -3.926  -1.329
   30   2HA   GLY   5          2HA       GLY   5 -10.537  -4.699   0.197
   31    H    CYS   6           H        CYS   6  -8.354  -2.654  -0.744
   32    HA   CYS   6           HA       CYS   6  -5.764  -3.342  -0.673
   33   1HB   CYS   6          1HB       CYS   6  -6.064  -1.094  -0.375
   34   2HB   CYS   6          2HB       CYS   6  -7.470  -1.317   0.647
   35    HA   PRO   7           HA       PRO   7  -4.907  -5.650   3.027
   36   1HB   PRO   7          1HB       PRO   7  -2.193  -5.308   3.057
   37   2HB   PRO   7          2HB       PRO   7  -3.024  -6.354   1.891
   38   1HG   PRO   7          1HG       PRO   7  -1.749  -3.738   1.503
   39   2HG   PRO   7          2HG       PRO   7  -2.126  -4.995   0.320
   40   1HD   PRO   7          1HD       PRO   7  -3.565  -2.576   0.858
   41   2HD   PRO   7          2HD       PRO   7  -3.950  -3.839  -0.329
   42    H    ARG   8           H        ARG   8  -2.636  -2.850   2.999
   43    HA   ARG   8           HA       ARG   8  -2.591  -2.471   5.824
   44   1HB   ARG   8          1HB       ARG   8  -1.190  -1.525   3.731
   45   2HB   ARG   8          2HB       ARG   8  -2.261  -0.142   3.966
   46   1HG   ARG   8          1HG       ARG   8  -1.380   0.374   6.028
   47   2HG   ARG   8          2HG       ARG   8  -0.952  -1.302   6.385
   48   1HD   ARG   8          1HD       ARG   8   1.048  -1.175   5.179
   49   2HD   ARG   8          2HD       ARG   8   0.449   0.128   4.134
   50    HE   ARG   8           HE       ARG   8   1.234   1.635   5.781
   51   1HH1  ARG   8          1HH2      ARG   8   1.300  -1.550   6.995
   52   2HH1  ARG   8          2HH2      ARG   8   1.456  -1.075   8.653
   53   1HH2  ARG   8          1HH1      ARG   8   1.105   2.310   7.996
   54   2HH2  ARG   8          2HH1      ARG   8   1.347   1.109   9.221
   55    H    CYS   9           H        CYS   9  -4.058  -0.146   3.566
   56    HA   CYS   9           HA       CYS   9  -6.025   0.631   5.663
   57   1HB   CYS   9          1HB       CYS   9  -6.511   2.162   3.367
   58   2HB   CYS   9          2HB       CYS   9  -5.584   2.664   4.767
   59    H    LYS  10           H        LYS  10  -6.520  -1.937   4.654
   60    HA   LYS  10           HA       LYS  10  -7.938  -2.455   2.413
   61   1HB   LYS  10          1HB       LYS  10  -8.775  -4.270   3.568
   62   2HB   LYS  10          2HB       LYS  10  -7.552  -3.738   4.714
   63   1HG   LYS  10          1HG       LYS  10  -9.380  -2.357   5.832
   64   2HG   LYS  10          2HG       LYS  10 -10.531  -3.235   4.820
   65   1HD   LYS  10          1HD       LYS  10 -10.245  -4.284   7.066
   66   2HD   LYS  10          2HD       LYS  10  -9.768  -5.364   5.757
   67   1HE   LYS  10          1HE       LYS  10  -7.568  -3.658   6.726
   68   2HE   LYS  10          2HE       LYS  10  -8.196  -4.783   7.947
   69   1HZ   LYS  10          1HZ       LYS  10  -7.755  -6.597   6.615
   70   2HZ   LYS  10          2HZ       LYS  10  -6.450  -5.590   6.202
   71   3HZ   LYS  10          3HZ       LYS  10  -7.800  -5.701   5.175
   72    H    THR  11           H        THR  11  -9.024  -0.654   1.482
   73    HA   THR  11           HA       THR  11 -11.787  -0.328   2.288
   74    HB   THR  11           HB       THR  11 -10.222   0.838   4.034
   75    HG1  THR  11           1HG      THR  11 -12.460   1.118   3.978
   76   1HG2  THR  11          1HG2      THR  11 -10.256   2.888   1.797
   77   2HG2  THR  11          2HG2      THR  11  -8.831   2.037   2.394
   78   3HG2  THR  11          3HG2      THR  11  -9.678   3.177   3.438
   79    H    THR  12           H        THR  12  -9.066   1.356   0.716
   80    HA   THR  12           HA       THR  12 -10.395   3.106  -0.920
   81    HB   THR  12           HB       THR  12  -8.089   1.538  -1.996
   82    HG1  THR  12           1HG      THR  12  -7.199   1.743  -0.114
   83   1HG2  THR  12          1HG2      THR  12  -9.327   4.178  -2.181
   84   2HG2  THR  12          2HG2      THR  12  -8.237   3.372  -3.308
   85   3HG2  THR  12          3HG2      THR  12  -7.582   4.245  -1.924
   86    H    LYS  13           H        LYS  13  -9.075   0.991  -3.241
   87    HA   LYS  13           HA       LYS  13 -10.889   0.993  -5.143
   88   1HB   LYS  13          1HB       LYS  13  -9.920  -0.929  -5.957
   89   2HB   LYS  13          2HB       LYS  13  -8.766  -0.450  -4.735
   90   1HG   LYS  13          1HG       LYS  13 -10.872  -2.186  -3.675
   91   2HG   LYS  13          2HG       LYS  13  -9.913  -2.939  -4.932
   92   1HD   LYS  13          1HD       LYS  13  -7.972  -1.694  -3.509
   93   2HD   LYS  13          2HD       LYS  13  -9.151  -2.036  -2.224
   94   1HE   LYS  13          1HE       LYS  13  -7.455  -3.912  -2.631
   95   2HE   LYS  13          2HE       LYS  13  -9.143  -4.422  -2.816
   96   1HZ   LYS  13          1HZ       LYS  13  -8.966  -4.515  -5.062
   97   2HZ   LYS  13          2HZ       LYS  13  -7.338  -4.828  -4.698
   98   3HZ   LYS  13          3HZ       LYS  13  -7.825  -3.263  -5.148
   99    H    TYR  14           H        TYR  14 -11.535  -0.980  -2.208
  100    HA   TYR  14           HA       TYR  14 -13.988  -2.059  -3.309
  101   1HB   TYR  14          1HB       TYR  14 -12.501  -2.849  -1.325
  102   2HB   TYR  14          2HB       TYR  14 -13.415  -1.687  -0.384
  103    HD1  TYR  14           1HD      TYR  14 -16.102  -1.803  -1.405
  104    HD2  TYR  14           2HD      TYR  14 -13.282  -4.997  -0.860
  105    HE1  TYR  14           1HE      TYR  14 -17.970  -3.424  -1.234
  106    HE2  TYR  14           2HE      TYR  14 -15.151  -6.618  -0.689
  107    HH   TYR  14           HH       TYR  14 -18.161  -6.064  -1.709
  108    H    ARG  15           H        ARG  15 -13.217   0.681  -1.178
  109    HA   ARG  15           HA       ARG  15 -16.002   1.700  -1.308
  110   1HB   ARG  15          1HB       ARG  15 -13.406   2.508   0.021
  111   2HB   ARG  15          2HB       ARG  15 -14.809   3.560   0.053
  112   1HG   ARG  15          1HG       ARG  15 -15.610   2.367   1.797
  113   2HG   ARG  15          2HG       ARG  15 -15.712   0.952   0.745
  114   1HD   ARG  15          1HD       ARG  15 -13.018   1.671   1.824
  115   2HD   ARG  15          2HD       ARG  15 -14.180   0.933   2.942
  116    HE   ARG  15           HE       ARG  15 -13.047  -0.332   0.493
  117   1HH1  ARG  15          1HH1      ARG  15 -12.954  -1.823   3.006
  118   2HH1  ARG  15          2HH1      ARG  15 -14.345  -2.853   2.930
  119   1HH2  ARG  15          1HH2      ARG  15 -15.896  -1.019   0.430
  120   2HH2  ARG  15          2HH2      ARG  15 -16.011  -2.397   1.472
  121    H    ASN  16           H        ASN  16 -12.718   2.817  -2.087
  122    HA   ASN  16           HA       ASN  16 -13.570   5.046  -3.756
  123   1HB   ASN  16          1HB       ASN  16 -11.140   3.762  -2.689
  124   2HB   ASN  16          2HB       ASN  16 -10.917   4.467  -4.289
  125   1HD2  ASN  16          1HD2      ASN  16  -9.432   5.899  -2.860
  126   2HD2  ASN  16          2HD2      ASN  16 -10.146   7.294  -2.198
  127    HA   PRO  17           HA       PRO  17 -13.668   2.316  -7.331
  128   1HB   PRO  17          1HB       PRO  17 -15.440   3.853  -8.756
  129   2HB   PRO  17          2HB       PRO  17 -15.943   2.779  -7.436
  130   1HG   PRO  17          1HG       PRO  17 -15.879   5.693  -7.537
  131   2HG   PRO  17          2HG       PRO  17 -16.661   4.633  -6.359
  132   1HD   PRO  17          1HD       PRO  17 -14.097   6.028  -6.173
  133   2HD   PRO  17          2HD       PRO  17 -15.034   5.220  -4.894
  134    H    SER  18           H        SER  18 -11.488   4.284  -7.022
  135    HA   SER  18           HA       SER  18 -10.911   4.723  -9.864
  136   1HB   SER  18          1HB       SER  18 -11.113   7.141  -8.060
  137   2HB   SER  18          2HB       SER  18 -10.995   7.105  -9.818
  138    HG   SER  18           HG       SER  18 -13.135   7.470  -9.148
  139    H    LEU  19           H        LEU  19  -9.373   3.195  -8.251
  140    HA   LEU  19           HA       LEU  19  -6.971   4.928  -7.799
  141   1HB   LEU  19          1HB       LEU  19  -6.591   3.582  -5.688
  142   2HB   LEU  19          2HB       LEU  19  -7.975   4.650  -5.646
  143    HG   LEU  19           HG       LEU  19  -8.269   2.227  -4.747
  144   1HD1  LEU  19          1HD1      LEU  19 -10.407   2.802  -4.860
  145   2HD1  LEU  19          2HD1      LEU  19 -10.452   2.513  -6.599
  146   3HD1  LEU  19          3HD1      LEU  19  -9.968   4.092  -5.977
  147   1HD2  LEU  19          1HD2      LEU  19  -8.506   1.716  -7.731
  148   2HD2  LEU  19          2HD2      LEU  19  -9.006   0.614  -6.471
  149   3HD2  LEU  19          3HD2      LEU  19  -7.306   1.010  -6.651
  150    H    LYS  20           H        LYS  20  -5.643   2.483  -6.612
  151    HA   LYS  20           HA       LYS  20  -5.641   0.305  -8.417
  152   1HB   LYS  20          1HB       LYS  20  -3.388   1.042  -9.547
  153   2HB   LYS  20          2HB       LYS  20  -4.895   1.718 -10.160
  154   1HG   LYS  20          1HG       LYS  20  -4.569   3.743  -8.834
  155   2HG   LYS  20          2HG       LYS  20  -3.125   3.057  -8.091
  156   1HD   LYS  20          1HD       LYS  20  -2.082   4.225  -9.769
  157   2HD   LYS  20          2HD       LYS  20  -2.466   2.775 -10.699
  158   1HE   LYS  20          1HE       LYS  20  -4.185   3.824 -11.860
  159   2HE   LYS  20          2HE       LYS  20  -4.545   4.935 -10.524
  160   1HZ   LYS  20          1HZ       LYS  20  -2.096   4.961 -12.223
  161   2HZ   LYS  20          2HZ       LYS  20  -2.406   6.015 -10.927
  162   3HZ   LYS  20          3HZ       LYS  20  -3.373   6.074 -12.322
  163    H    LEU  21           H        LEU  21  -3.821  -1.171  -7.972
  164    HA   LEU  21           HA       LEU  21  -2.592  -0.603  -5.295
  165   1HB   LEU  21          1HB       LEU  21  -3.500  -3.073  -6.781
  166   2HB   LEU  21          2HB       LEU  21  -2.457  -3.192  -5.369
  167    HG   LEU  21           HG       LEU  21  -4.117  -2.483  -3.911
  168   1HD1  LEU  21          1HD1      LEU  21  -4.615  -0.323  -5.000
  169   2HD1  LEU  21          2HD1      LEU  21  -6.115  -1.158  -4.609
  170   3HD1  LEU  21          3HD1      LEU  21  -5.512  -1.156  -6.266
  171   1HD2  LEU  21          1HD2      LEU  21  -6.133  -3.395  -5.874
  172   2HD2  LEU  21          2HD2      LEU  21  -5.784  -3.986  -4.249
  173   3HD2  LEU  21          3HD2      LEU  21  -4.772  -4.485  -5.605
  174    H    MET  22           H        MET  22  -0.315  -0.652  -5.129
  175    HA   MET  22           HA       MET  22   1.145  -1.298  -7.641
  176   1HB   MET  22          1HB       MET  22   2.694  -0.051  -5.534
  177   2HB   MET  22          2HB       MET  22   2.396   0.527  -7.160
  178   1HG   MET  22          1HG       MET  22   0.134   1.330  -6.374
  179   2HG   MET  22          2HG       MET  22   0.627   0.918  -4.732
  180   1HE   MET  22          1HE       MET  22   0.493   4.573  -6.450
  181   2HE   MET  22          2HE       MET  22   0.298   4.412  -4.706
  182   3HE   MET  22          3HE       MET  22  -0.494   3.265  -5.783
  183    H    VAL  23           H        VAL  23   2.590  -2.956  -7.689
  184    HA   VAL  23           HA       VAL  23   2.800  -4.688  -5.293
  185    HB   VAL  23           HB       VAL  23   3.451  -4.872  -8.234
  186   1HG1  VAL  23          1HG1      VAL  23   4.371  -7.108  -7.860
  187   2HG1  VAL  23          2HG1      VAL  23   4.137  -6.937  -6.121
  188   3HG1  VAL  23          3HG1      VAL  23   5.314  -5.924  -6.956
  189   1HG2  VAL  23          1HG2      VAL  23   1.637  -6.352  -6.312
  190   2HG2  VAL  23          2HG2      VAL  23   1.933  -6.892  -7.964
  191   3HG2  VAL  23          3HG2      VAL  23   1.159  -5.335  -7.671
  192    H    ASN  24           H        ASN  24   5.056  -5.568  -4.790
  193    HA   ASN  24           HA       ASN  24   7.147  -3.473  -5.268
  194   1HB   ASN  24          1HB       ASN  24   7.813  -4.376  -2.824
  195   2HB   ASN  24          2HB       ASN  24   6.681  -3.048  -3.060
  196   1HD2  ASN  24          1HD2      ASN  24   4.779  -3.303  -1.902
  197   2HD2  ASN  24          2HD2      ASN  24   4.086  -4.791  -1.467
  198    H    VAL  25           H        VAL  25   9.365  -4.409  -4.525
  199    HA   VAL  25           HA       VAL  25  10.447  -6.203  -6.214
  200    HB   VAL  25           HB       VAL  25  11.857  -5.140  -4.678
  201   1HG1  VAL  25          1HG1      VAL  25  11.273  -6.159  -2.118
  202   2HG1  VAL  25          2HG1      VAL  25   9.715  -5.729  -2.824
  203   3HG1  VAL  25          3HG1      VAL  25  10.991  -4.518  -2.699
  204   1HG2  VAL  25          1HG2      VAL  25  11.944  -7.923  -4.852
  205   2HG2  VAL  25          2HG2      VAL  25  12.129  -7.589  -3.129
  206   3HG2  VAL  25          3HG2      VAL  25  13.243  -6.869  -4.291
  207    H    CYS  26           H        CYS  26   9.702  -7.592  -2.963
  208    HA   CYS  26           HA       CYS  26   9.773 -10.272  -3.668
  209   1HB   CYS  26          1HB       CYS  26   8.065 -10.548  -1.806
  210   2HB   CYS  26          2HB       CYS  26   9.465  -9.564  -1.385
  211    H    GLY  27           H        GLY  27   7.341  -7.930  -4.554
  212   1HA   GLY  27          1HA       GLY  27   5.729  -8.166  -6.281
  213   2HA   GLY  27          2HA       GLY  27   6.130  -9.882  -6.381
  214    H    HIS  28           H        HIS  28   4.428  -7.490  -4.354
  215    HA   HIS  28           HA       HIS  28   2.578  -9.703  -3.567
  216   1HB   HIS  28          1HB       HIS  28   4.281  -7.923  -1.969
  217   2HB   HIS  28          2HB       HIS  28   2.608  -7.979  -1.413
  218    HD2  HIS  28           2HD      HIS  28   2.013 -11.158  -2.097
  219    HE1  HIS  28           1HE      HIS  28   5.343 -11.966   0.356
  220    HE2  HIS  28           2HE      HIS  28   3.281 -12.970  -0.721
  221    H    THR  29           H        THR  29   2.105  -6.489  -2.274
  222    HA   THR  29           HA       THR  29   0.535  -5.382  -4.403
  223    HB   THR  29           HB       THR  29  -0.701  -7.384  -2.562
  224    HG1  THR  29           1HG      THR  29  -1.681  -7.965  -4.420
  225   1HG2  THR  29          1HG2      THR  29  -2.951  -6.154  -3.350
  226   2HG2  THR  29          2HG2      THR  29  -1.906  -4.738  -3.224
  227   3HG2  THR  29          3HG2      THR  29  -2.166  -5.771  -1.818
  228    H    LEU  30           H        LEU  30   0.149  -3.278  -3.898
  229    HA   LEU  30           HA       LEU  30  -0.140  -2.447  -1.041
  230   1HB   LEU  30          1HB       LEU  30   2.246  -2.329  -2.022
  231   2HB   LEU  30          2HB       LEU  30   1.647  -1.013  -3.013
  232    HG   LEU  30           HG       LEU  30   0.875   0.070  -0.873
  233   1HD1  LEU  30          1HD1      LEU  30   1.874  -0.709   1.217
  234   2HD1  LEU  30          2HD1      LEU  30   2.615  -2.051   0.353
  235   3HD1  LEU  30          3HD1      LEU  30   0.865  -1.968   0.503
  236   1HD2  LEU  30          1HD2      LEU  30   2.900   1.154  -0.619
  237   2HD2  LEU  30          2HD2      LEU  30   3.196   0.320  -2.146
  238   3HD2  LEU  30          3HD2      LEU  30   3.814  -0.355  -0.638
  239    H    CYS  31           H        CYS  31  -2.349  -1.915  -1.476
  240    HA   CYS  31           HA       CYS  31  -3.468  -0.752  -3.704
  241   1HB   CYS  31          1HB       CYS  31  -5.273  -0.488  -2.347
  242   2HB   CYS  31          2HB       CYS  31  -4.278  -1.325  -1.172
  243    H    GLU  32           H        GLU  32  -4.284   1.542  -3.887
  244    HA   GLU  32           HA       GLU  32  -2.021   3.314  -4.219
  245   1HB   GLU  32          1HB       GLU  32  -3.675   4.883  -4.973
  246   2HB   GLU  32          2HB       GLU  32  -4.278   3.294  -5.432
  247   1HG   GLU  32          1HG       GLU  32  -5.087   4.747  -2.897
  248   2HG   GLU  32          2HG       GLU  32  -6.023   4.766  -4.388
  249    H    SER  33           H        SER  33  -4.547   3.112  -1.732
  250    HA   SER  33           HA       SER  33  -3.636   5.357  -0.191
  251   1HB   SER  33          1HB       SER  33  -5.562   3.069   0.094
  252   2HB   SER  33          2HB       SER  33  -5.099   3.952   1.548
  253    HG   SER  33           HG       SER  33  -6.438   5.416   0.939
  254    H    CYS  34           H        CYS  34  -2.236   2.224  -0.598
  255    HA   CYS  34           HA       CYS  34  -1.239   2.026   2.174
  256   1HB   CYS  34          1HB       CYS  34  -0.916   0.500  -0.403
  257   2HB   CYS  34          2HB       CYS  34   0.267   0.288   0.889
  258    H    VAL  35           H        VAL  35   0.335   2.389  -1.023
  259    HA   VAL  35           HA       VAL  35   2.916   3.018  -0.271
  260    HB   VAL  35           HB       VAL  35   1.056   3.791  -2.474
  261   1HG1  VAL  35          1HG1      VAL  35   3.441   5.393  -1.693
  262   2HG1  VAL  35          2HG1      VAL  35   1.990   5.890  -2.562
  263   3HG1  VAL  35          3HG1      VAL  35   3.265   5.011  -3.405
  264   1HG2  VAL  35          1HG2      VAL  35   2.148   1.891  -3.092
  265   2HG2  VAL  35          2HG2      VAL  35   3.527   2.229  -2.054
  266   3HG2  VAL  35          3HG2      VAL  35   3.390   3.031  -3.612
  267    H    ASP  36           H        ASP  36   0.031   4.958   0.194
  268    HA   ASP  36           HA       ASP  36   1.475   7.423   0.809
  269   1HB   ASP  36          1HB       ASP  36  -0.617   8.282   0.606
  270   2HB   ASP  36          2HB       ASP  36  -1.090   6.673   0.076
  271    H    LEU  37           H        LEU  37  -0.307   5.012   2.828
  272    HA   LEU  37           HA       LEU  37   0.693   6.307   5.286
  273   1HB   LEU  37          1HB       LEU  37  -1.204   4.127   4.503
  274   2HB   LEU  37          2HB       LEU  37  -0.595   4.147   6.159
  275    HG   LEU  37           HG       LEU  37  -1.641   6.687   4.948
  276   1HD1  LEU  37          1HD1      LEU  37  -3.191   4.249   5.550
  277   2HD1  LEU  37          2HD1      LEU  37  -3.631   5.648   4.570
  278   3HD1  LEU  37          3HD1      LEU  37  -3.801   5.711   6.325
  279   1HD2  LEU  37          1HD2      LEU  37  -2.469   6.555   7.539
  280   2HD2  LEU  37          2HD2      LEU  37  -0.910   7.220   7.049
  281   3HD2  LEU  37          3HD2      LEU  37  -1.020   5.553   7.616
  282    H    LEU  38           H        LEU  38   1.535   3.574   3.280
  283    HA   LEU  38           HA       LEU  38   2.972   2.001   5.203
  284   1HB   LEU  38          1HB       LEU  38   2.128   1.523   2.794
  285   2HB   LEU  38          2HB       LEU  38   3.620   2.291   2.265
  286    HG   LEU  38           HG       LEU  38   4.220   0.027   2.345
  287   1HD1  LEU  38          1HD1      LEU  38   5.756   1.436   3.724
  288   2HD1  LEU  38          2HD1      LEU  38   5.713  -0.246   4.247
  289   3HD1  LEU  38          3HD1      LEU  38   4.835   0.983   5.156
  290   1HD2  LEU  38          1HD2      LEU  38   2.056  -0.644   3.456
  291   2HD2  LEU  38          2HD2      LEU  38   2.798  -0.249   5.006
  292   3HD2  LEU  38          3HD2      LEU  38   3.465  -1.546   4.013
  293    H    PHE  39           H        PHE  39   4.039   4.554   2.948
  294    HA   PHE  39           HA       PHE  39   6.813   4.398   3.923
  295   1HB   PHE  39          1HB       PHE  39   5.558   6.384   2.030
  296   2HB   PHE  39          2HB       PHE  39   7.239   5.840   2.069
  297    HD1  PHE  39           1HD      PHE  39   6.333   2.873   2.694
  298    HD2  PHE  39           2HD      PHE  39   5.316   5.720  -0.355
  299    HE1  PHE  39           1HE      PHE  39   5.731   1.019   1.173
  300    HE2  PHE  39           2HE      PHE  39   4.709   3.859  -1.880
  301    HZ   PHE  39           HZ       PHE  39   4.921   1.510  -1.107
  302    H    VAL  40           H        VAL  40   4.154   6.796   4.011
  303    HA   VAL  40           HA       VAL  40   5.597   8.901   5.256
  304    HB   VAL  40           HB       VAL  40   3.346   9.647   5.961
  305   1HG1  VAL  40          1HG1      VAL  40   2.215   9.321   3.667
  306   2HG1  VAL  40          2HG1      VAL  40   3.666   8.420   3.229
  307   3HG1  VAL  40          3HG1      VAL  40   3.789  10.118   3.691
  308   1HG2  VAL  40          1HG2      VAL  40   2.714   6.770   5.412
  309   2HG2  VAL  40          2HG2      VAL  40   1.462   8.001   5.234
  310   3HG2  VAL  40          3HG2      VAL  40   2.253   7.769   6.791
  311    H    ARG  41           H        ARG  41   4.696   5.820   6.496
  312    HA   ARG  41           HA       ARG  41   5.196   6.755   9.298
  313   1HB   ARG  41          1HB       ARG  41   3.889   4.164   8.475
  314   2HB   ARG  41          2HB       ARG  41   3.704   5.055   9.986
  315   1HG   ARG  41          1HG       ARG  41   2.773   6.064   7.282
  316   2HG   ARG  41          2HG       ARG  41   1.724   5.270   8.458
  317   1HD   ARG  41          1HD       ARG  41   3.147   7.934   8.725
  318   2HD   ARG  41          2HD       ARG  41   1.414   7.593   8.885
  319    HE   ARG  41           HE       ARG  41   2.331   6.048  10.864
  320   1HH1  ARG  41          1HH2      ARG  41   4.517   8.381   9.925
  321   2HH1  ARG  41          2HH2      ARG  41   4.594   9.192  11.454
  322   1HH2  ARG  41          1HH1      ARG  41   1.941   7.429  12.824
  323   2HH2  ARG  41          2HH1      ARG  41   3.134   8.656  13.093
  324    H    GLY  42           H        GLY  42   6.796   5.253   6.778
  325   1HA   GLY  42          1HA       GLY  42   8.941   4.334   8.406
  326   2HA   GLY  42          2HA       GLY  42   7.927   2.946   8.022
  327    H    ALA  43           H        ALA  43   7.268   3.136   5.449
  328    HA   ALA  43           HA       ALA  43   8.100   2.980   3.228
  329   1HB   ALA  43          1HB       ALA  43   9.434   5.210   4.531
  330   2HB   ALA  43          2HB       ALA  43   8.932   5.048   2.848
  331   3HB   ALA  43          3HB       ALA  43  10.505   4.435   3.361
  332    H    GLY  44           H        GLY  44   8.808   0.869   2.974
  333   1HA   GLY  44          1HA       GLY  44  10.942  -0.348   2.431
  334   2HA   GLY  44          2HA       GLY  44  11.559   0.246   3.973
  335    H    ASN  45           H        ASN  45   8.257  -0.903   3.515
  336    HA   ASN  45           HA       ASN  45   8.908  -3.501   4.804
  337   1HB   ASN  45          1HB       ASN  45   6.934  -1.514   5.968
  338   2HB   ASN  45          2HB       ASN  45   7.451  -3.041   6.685
  339   1HD2  ASN  45          1HD2      ASN  45   9.443  -3.059   7.850
  340   2HD2  ASN  45          2HD2      ASN  45  10.409  -1.679   8.062
  341    H    CYS  46           H        CYS  46   7.977  -4.731   3.162
  342    HA   CYS  46           HA       CYS  46   5.861  -4.240   1.459
  343   1HB   CYS  46          1HB       CYS  46   7.304  -6.285   1.628
  344   2HB   CYS  46          2HB       CYS  46   6.345  -6.792   3.015
  345    HA   PRO  47           HA       PRO  47   2.304  -3.629   3.982
  346   1HB   PRO  47          1HB       PRO  47   0.400  -4.350   2.130
  347   2HB   PRO  47          2HB       PRO  47   1.271  -2.825   2.110
  348   1HG   PRO  47          1HG       PRO  47   1.828  -5.332   0.587
  349   2HG   PRO  47          2HG       PRO  47   1.761  -3.665  -0.008
  350   1HD   PRO  47          1HD       PRO  47   4.089  -4.870   0.528
  351   2HD   PRO  47          2HD       PRO  47   3.859  -3.153   0.877
  352    H    GLU  48           H        GLU  48   3.414  -6.644   2.907
  353    HA   GLU  48           HA       GLU  48   1.531  -7.979   4.790
  354   1HB   GLU  48          1HB       GLU  48   1.303  -9.798   3.034
  355   2HB   GLU  48          2HB       GLU  48   0.514  -8.275   2.665
  356   1HG   GLU  48          1HG       GLU  48   2.748  -7.686   1.460
  357   2HG   GLU  48          2HG       GLU  48   3.032  -9.428   1.494
  358    H    CYS  49           H        CYS  49   4.349  -8.855   2.643
  359    HA   CYS  49           HA       CYS  49   5.236 -10.706   4.781
  360   1HB   CYS  49          1HB       CYS  49   6.488 -11.734   3.115
  361   2HB   CYS  49          2HB       CYS  49   5.182 -11.037   2.169
  362    H    GLY  50           H        GLY  50   5.391  -7.606   4.760
  363   1HA   GLY  50          1HA       GLY  50   6.961  -5.930   5.314
  364   2HA   GLY  50          2HA       GLY  50   7.361  -7.110   6.555
  365    H    THR  51           H        THR  51   8.008  -7.867   3.169
  366    HA   THR  51           HA       THR  51  10.714  -8.525   3.579
  367    HB   THR  51           HB       THR  51   8.947  -7.779   1.291
  368    HG1  THR  51           1HG      THR  51  10.621  -9.898   2.077
  369   1HG2  THR  51          1HG2      THR  51  11.958  -7.970   0.978
  370   2HG2  THR  51          2HG2      THR  51  11.015  -6.492   0.799
  371   3HG2  THR  51          3HG2      THR  51  10.785  -7.827  -0.330
  372    HA   PRO  52           HA       PRO  52  12.560  -4.587   4.263
  373   1HB   PRO  52          1HB       PRO  52  15.146  -5.223   3.599
  374   2HB   PRO  52          2HB       PRO  52  14.380  -5.721   5.121
  375   1HG   PRO  52          1HG       PRO  52  14.810  -7.266   2.602
  376   2HG   PRO  52          2HG       PRO  52  14.980  -7.788   4.286
  377   1HD   PRO  52          1HD       PRO  52  12.809  -8.369   2.737
  378   2HD   PRO  52          2HD       PRO  52  12.728  -8.200   4.505
  379    H    LEU  53           H        LEU  53  11.309  -3.794   2.281
  380    HA   LEU  53           HA       LEU  53  12.143  -3.890  -0.378
  381   1HB   LEU  53          1HB       LEU  53  10.809  -1.893   1.404
  382   2HB   LEU  53          2HB       LEU  53  11.261  -1.371  -0.219
  383    HG   LEU  53           HG       LEU  53  10.073  -3.425  -1.102
  384   1HD1  LEU  53          1HD1      LEU  53   8.309  -4.273   0.617
  385   2HD1  LEU  53          2HD1      LEU  53   9.410  -3.622   1.831
  386   3HD1  LEU  53          3HD1      LEU  53   9.956  -4.891   0.736
  387   1HD2  LEU  53          1HD2      LEU  53   8.613  -1.719  -1.462
  388   2HD2  LEU  53          2HD2      LEU  53   8.889  -1.034   0.139
  389   3HD2  LEU  53          3HD2      LEU  53   7.745  -2.360  -0.067
  390    H    ARG  54           H        ARG  54  14.202  -3.565  -1.127
  391    HA   ARG  54           HA       ARG  54  16.392  -2.404   0.085
  392   1HB   ARG  54          1HB       ARG  54  15.874  -3.494  -2.303
  393   2HB   ARG  54          2HB       ARG  54  15.913  -1.803  -2.805
  394   1HG   ARG  54          1HG       ARG  54  18.164  -1.821  -2.733
  395   2HG   ARG  54          2HG       ARG  54  18.117  -2.282  -1.031
  396   1HD   ARG  54          1HD       ARG  54  19.348  -3.958  -2.427
  397   2HD   ARG  54          2HD       ARG  54  17.899  -4.664  -1.682
  398    HE   ARG  54           HE       ARG  54  17.305  -3.469  -4.259
  399   1HH1  ARG  54          1HH1      ARG  54  16.717  -6.235  -2.758
  400   2HH1  ARG  54          2HH1      ARG  54  17.227  -7.318  -4.011
  401   1HH2  ARG  54          1HH2      ARG  54  18.810  -4.850  -5.863
  402   2HH2  ARG  54          2HH2      ARG  54  18.411  -6.533  -5.769
  403    H    LYS  55           H        LYS  55  13.621  -0.721  -1.266
  404    HA   LYS  55           HA       LYS  55  14.064   1.726   0.064
  405   1HB   LYS  55          1HB       LYS  55  16.095   2.033  -1.139
  406   2HB   LYS  55          2HB       LYS  55  15.400   1.408  -2.634
  407   1HG   LYS  55          1HG       LYS  55  15.692   3.944  -2.510
  408   2HG   LYS  55          2HG       LYS  55  14.080   3.380  -2.945
  409   1HD   LYS  55          1HD       LYS  55  13.438   3.575  -0.519
  410   2HD   LYS  55          2HD       LYS  55  15.012   4.310  -0.213
  411   1HE   LYS  55          1HE       LYS  55  13.406   5.484  -2.439
  412   2HE   LYS  55          2HE       LYS  55  12.840   5.798  -0.785
  413   1HZ   LYS  55          1HZ       LYS  55  14.876   6.732  -0.197
  414   2HZ   LYS  55          2HZ       LYS  55  14.647   7.324  -1.773
  415   3HZ   LYS  55          3HZ       LYS  55  15.703   6.023  -1.497
  416    H    SER  56           H        SER  56  11.758   1.397   0.097
  417    HA   SER  56           HA       SER  56   9.575   1.788  -0.655
  418   1HB   SER  56          1HB       SER  56  11.275   3.403  -2.574
  419   2HB   SER  56          2HB       SER  56   9.521   3.500  -2.564
  420    HG   SER  56           HG       SER  56   9.606   4.679  -0.854
  421    H    ASN  57           H        ASN  57   9.763   2.268  -3.910
  422    HA   ASN  57           HA       ASN  57   9.589   0.906  -5.821
  423   1HB   ASN  57          1HB       ASN  57  10.946  -0.908  -5.737
  424   2HB   ASN  57          2HB       ASN  57  11.179  -0.554  -4.032
  425   1HD2  ASN  57          1HD2      ASN  57  10.371  -2.085  -2.537
  426   2HD2  ASN  57          2HD2      ASN  57   9.408  -3.413  -2.970
  427    H    PHE  58           H        PHE  58   7.435   1.182  -6.245
  428    HA   PHE  58           HA       PHE  58   5.572  -0.960  -5.435
  429   1HB   PHE  58          1HB       PHE  58   4.846   1.939  -4.884
  430   2HB   PHE  58          2HB       PHE  58   4.013   0.500  -4.320
  431    HD1  PHE  58           1HD      PHE  58   6.768   2.796  -3.685
  432    HD2  PHE  58           2HD      PHE  58   5.072  -1.017  -2.666
  433    HE1  PHE  58           1HE      PHE  58   8.169   2.710  -1.643
  434    HE2  PHE  58           2HE      PHE  58   6.477  -1.102  -0.629
  435    HZ   PHE  58           HZ       PHE  58   8.037   0.758  -0.119
  436    H    ARG  59           H        ARG  59   5.230  -1.493  -7.570
  437    HA   ARG  59           HA       ARG  59   4.755   0.619  -9.590
  438   1HB   ARG  59          1HB       ARG  59   4.309  -1.896 -10.763
  439   2HB   ARG  59          2HB       ARG  59   5.790  -0.954 -10.845
  440   1HG   ARG  59          1HG       ARG  59   6.627  -2.076  -8.805
  441   2HG   ARG  59          2HG       ARG  59   5.139  -3.019  -8.717
  442   1HD   ARG  59          1HD       ARG  59   6.587  -4.491  -9.857
  443   2HD   ARG  59          2HD       ARG  59   5.772  -3.677 -11.208
  444    HE   ARG  59           HE       ARG  59   8.551  -3.204 -10.302
  445   1HH1  ARG  59          1HH2      ARG  59   6.729  -3.322 -13.012
  446   2HH1  ARG  59          2HH2      ARG  59   7.242  -1.813 -13.689
  447   1HH2  ARG  59          1HH1      ARG  59   8.839  -0.756 -10.797
  448   2HH2  ARG  59          2HH1      ARG  59   8.438  -0.361 -12.435
  449    H    VAL  60           H        VAL  60   2.744   1.495  -9.370
  450    HA   VAL  60           HA       VAL  60   0.403  -0.160  -8.700
  451    HB   VAL  60           HB       VAL  60   1.023   2.160  -7.844
  452   1HG1  VAL  60          1HG1      VAL  60  -0.131   2.994 -10.520
  453   2HG1  VAL  60          2HG1      VAL  60   1.593   3.020 -10.149
  454   3HG1  VAL  60          3HG1      VAL  60   0.481   4.052  -9.248
  455   1HG2  VAL  60          1HG2      VAL  60  -1.308   2.855  -7.738
  456   2HG2  VAL  60          2HG2      VAL  60  -1.239   1.097  -7.624
  457   3HG2  VAL  60          3HG2      VAL  60  -1.704   1.864  -9.142
  458    H    GLN  61           H        GLN  61  -1.481  -0.263  -9.989
  459    HA   GLN  61           HA       GLN  61  -1.755   0.775 -12.643
  460   1HB   GLN  61          1HB       GLN  61  -1.183  -1.254 -13.905
  461   2HB   GLN  61          2HB       GLN  61   0.209  -0.752 -12.944
  462   1HG   GLN  61          1HG       GLN  61  -0.569  -2.368 -11.155
  463   2HG   GLN  61          2HG       GLN  61  -1.766  -2.962 -12.306
  464   1HE2  GLN  61          1HE2      GLN  61   1.031  -3.972 -11.101
  465   2HE2  GLN  61          2HE2      GLN  61   1.777  -4.633 -12.474
  466    H    LEU  62           H        LEU  62  -3.603  -0.476 -13.794
  467    HA   LEU  62           HA       LEU  62  -5.204  -2.371 -12.316
  468   1HB   LEU  62          1HB       LEU  62  -5.253   0.229 -11.341
  469   2HB   LEU  62          2HB       LEU  62  -6.694   0.157 -12.355
  470    HG   LEU  62           HG       LEU  62  -7.290  -2.007 -11.173
  471   1HD1  LEU  62          1HD1      LEU  62  -5.121  -2.628 -10.300
  472   2HD1  LEU  62          2HD1      LEU  62  -6.176  -2.298  -8.925
  473   3HD1  LEU  62          3HD1      LEU  62  -4.983  -1.102  -9.427
  474   1HD2  LEU  62          1HD2      LEU  62  -7.494   0.716 -10.276
  475   2HD2  LEU  62          2HD2      LEU  62  -7.337  -0.335  -8.869
  476   3HD2  LEU  62          3HD2      LEU  62  -8.635  -0.607 -10.032
  477    H    PHE  63           H        PHE  63  -5.267   0.332 -14.642
  478    HA   PHE  63           HA       PHE  63  -7.563  -0.278 -16.124
  479   1HB   PHE  63          1HB       PHE  63  -5.675   1.556 -16.294
  480   2HB   PHE  63          2HB       PHE  63  -4.976   0.448 -17.473
  481    HD1  PHE  63           1HD      PHE  63  -5.579   0.781 -19.692
  482    HD2  PHE  63           2HD      PHE  63  -8.359   1.831 -16.590
  483    HE1  PHE  63           1HE      PHE  63  -7.183   1.593 -21.402
  484    HE2  PHE  63           2HE      PHE  63  -9.962   2.642 -18.300
  485    HZ   PHE  63           HZ       PHE  63  -9.373   2.523 -20.706
  486    H    GLU  64           H        GLU  64  -4.270  -1.349 -17.070
  487    HA   GLU  64           HA       GLU  64  -3.572  -3.315 -18.180
  488   1HB   GLU  64          1HB       GLU  64  -5.206  -3.993 -16.096
  489   2HB   GLU  64          2HB       GLU  64  -6.059  -4.744 -17.446
  490   1HG   GLU  64          1HG       GLU  64  -4.483  -6.351 -17.652
  491   2HG   GLU  64          2HG       GLU  64  -3.177  -5.167 -17.609
  492    H    ASP  65           H        ASP  65  -3.891  -2.392 -20.313
  493    HA   ASP  65           HA       ASP  65  -5.924  -3.772 -21.905
  494   1HB   ASP  65          1HB       ASP  65  -7.128  -1.865 -20.791
  495   2HB   ASP  65          2HB       ASP  65  -6.029  -0.754 -21.610
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  -8.193  -6.961 -10.651
    2   2H    MET   1          2HT       MET   1  -9.756  -6.606 -10.086
    3   3H    MET   1          3HT       MET   1  -8.629  -7.354  -9.060
    4    HA   MET   1           HA       MET   1  -7.237  -5.188  -9.602
    5   1HB   MET   1          1HB       MET   1 -10.174  -4.500  -9.957
    6   2HB   MET   1          2HB       MET   1  -8.874  -3.315  -9.841
    7   1HG   MET   1          1HG       MET   1  -7.867  -4.113 -11.875
    8   2HG   MET   1          2HG       MET   1  -8.931  -5.519 -11.918
    9   1HE   MET   1          1HE       MET   1  -8.291  -1.937 -12.415
   10   2HE   MET   1          2HE       MET   1  -9.517  -1.412 -13.566
   11   3HE   MET   1          3HE       MET   1  -8.368  -2.666 -14.025
   12    H    ASP   2           H        ASP   2 -10.382  -4.559  -8.128
   13    HA   ASP   2           HA       ASP   2  -9.209  -4.023  -5.521
   14   1HB   ASP   2          1HB       ASP   2 -11.633  -3.735  -4.943
   15   2HB   ASP   2          2HB       ASP   2 -11.172  -2.854  -6.399
   16    H    ASP   3           H        ASP   3  -9.857  -6.911  -7.090
   17    HA   ASP   3           HA       ASP   3 -11.230  -8.689  -5.555
   18   1HB   ASP   3          1HB       ASP   3  -9.911  -9.269  -7.527
   19   2HB   ASP   3          2HB       ASP   3  -8.412  -8.984  -6.641
   20    H    GLN   4           H        GLN   4  -7.829  -9.146  -4.877
   21    HA   GLN   4           HA       GLN   4  -7.978  -9.965  -2.255
   22   1HB   GLN   4          1HB       GLN   4  -5.997  -9.432  -3.969
   23   2HB   GLN   4          2HB       GLN   4  -5.842  -7.990  -2.965
   24   1HG   GLN   4          1HG       GLN   4  -6.127  -9.982  -1.082
   25   2HG   GLN   4          2HG       GLN   4  -5.198 -10.795  -2.342
   26   1HE2  GLN   4          1HE2      GLN   4  -2.979 -10.518  -2.100
   27   2HE2  GLN   4          2HE2      GLN   4  -2.234  -9.173  -1.382
   28    H    GLY   5           H        GLY   5  -8.310  -6.685  -3.447
   29   1HA   GLY   5          1HA       GLY   5  -8.972  -4.713  -2.390
   30   2HA   GLY   5          2HA       GLY   5  -9.730  -5.751  -1.183
   31    H    CYS   6           H        CYS   6  -7.858  -3.234  -1.257
   32    HA   CYS   6           HA       CYS   6  -5.424  -3.322  -0.169
   33   1HB   CYS   6          1HB       CYS   6  -6.518  -1.264  -0.207
   34   2HB   CYS   6          2HB       CYS   6  -7.942  -1.891   0.603
   35    HA   PRO   7           HA       PRO   7  -5.777  -5.927   3.460
   36   1HB   PRO   7          1HB       PRO   7  -3.084  -6.181   3.836
   37   2HB   PRO   7          2HB       PRO   7  -3.976  -7.087   2.600
   38   1HG   PRO   7          1HG       PRO   7  -2.108  -4.844   2.310
   39   2HG   PRO   7          2HG       PRO   7  -2.620  -6.044   1.119
   40   1HD   PRO   7          1HD       PRO   7  -3.533  -3.339   1.428
   41   2HD   PRO   7          2HD       PRO   7  -4.026  -4.533   0.214
   42    H    ARG   8           H        ARG   8  -3.661  -3.040   3.269
   43    HA   ARG   8           HA       ARG   8  -3.405  -2.796   6.179
   44   1HB   ARG   8          1HB       ARG   8  -1.886  -2.059   4.100
   45   2HB   ARG   8          2HB       ARG   8  -2.787  -0.552   4.282
   46   1HG   ARG   8          1HG       ARG   8  -1.439   0.009   5.984
   47   2HG   ARG   8          2HG       ARG   8  -2.040  -1.381   6.891
   48   1HD   ARG   8          1HD       ARG   8  -0.092  -2.153   4.842
   49   2HD   ARG   8          2HD       ARG   8   0.585  -1.033   6.041
   50    HE   ARG   8           HE       ARG   8  -0.657  -3.683   6.645
   51   1HH1  ARG   8          1HH2      ARG   8  -0.658  -1.007   8.449
   52   2HH1  ARG   8          2HH2      ARG   8   0.499  -1.515   9.634
   53   1HH2  ARG   8          1HH1      ARG   8   1.552  -4.271   7.811
   54   2HH2  ARG   8          2HH1      ARG   8   1.749  -3.363   9.272
   55    H    CYS   9           H        CYS   9  -4.682  -0.444   3.816
   56    HA   CYS   9           HA       CYS   9  -6.528   0.593   5.933
   57   1HB   CYS   9          1HB       CYS   9  -6.771   2.208   3.658
   58   2HB   CYS   9          2HB       CYS   9  -5.814   2.560   5.084
   59    H    LYS  10           H        LYS  10  -7.412  -1.838   4.933
   60    HA   LYS  10           HA       LYS  10  -8.850  -2.233   2.706
   61   1HB   LYS  10          1HB       LYS  10  -9.728  -3.890   3.965
   62   2HB   LYS  10          2HB       LYS  10  -8.856  -3.182   5.317
   63   1HG   LYS  10          1HG       LYS  10 -10.816  -1.860   5.938
   64   2HG   LYS  10          2HG       LYS  10 -11.696  -2.469   4.535
   65   1HD   LYS  10          1HD       LYS  10 -10.507  -4.489   6.381
   66   2HD   LYS  10          2HD       LYS  10 -11.919  -3.602   6.960
   67   1HE   LYS  10          1HE       LYS  10 -13.286  -4.824   5.619
   68   2HE   LYS  10          2HE       LYS  10 -12.286  -4.460   4.197
   69   1HZ   LYS  10          1HZ       LYS  10 -11.979  -6.733   4.482
   70   2HZ   LYS  10          2HZ       LYS  10 -12.003  -6.638   6.178
   71   3HZ   LYS  10          3HZ       LYS  10 -10.646  -6.093   5.313
   72    H    THR  11           H        THR  11  -9.545  -0.345   1.605
   73    HA   THR  11           HA       THR  11 -12.240   0.539   2.140
   74    HB   THR  11           HB       THR  11 -10.653   1.524   3.991
   75    HG1  THR  11           1HG      THR  11 -12.833   2.147   3.574
   76   1HG2  THR  11          1HG2      THR  11 -10.162   3.466   1.716
   77   2HG2  THR  11          2HG2      THR  11  -8.957   2.357   2.368
   78   3HG2  THR  11          3HG2      THR  11  -9.607   3.647   3.380
   79    H    THR  12           H        THR  12  -9.109   1.454   0.748
   80    HA   THR  12           HA       THR  12  -9.774   3.387  -1.099
   81    HB   THR  12           HB       THR  12  -7.877   2.074  -2.428
   82    HG1  THR  12           1HG      THR  12  -7.953   0.169  -1.343
   83   1HG2  THR  12          1HG2      THR  12  -6.400   3.400  -1.236
   84   2HG2  THR  12          2HG2      THR  12  -7.197   3.071   0.304
   85   3HG2  THR  12          3HG2      THR  12  -7.938   4.174  -0.854
   86    H    LYS  13           H        LYS  13  -8.893   0.611  -2.954
   87    HA   LYS  13           HA       LYS  13 -10.448   0.973  -5.128
   88   1HB   LYS  13          1HB       LYS  13  -9.891  -1.218  -5.641
   89   2HB   LYS  13          2HB       LYS  13  -8.769  -0.863  -4.349
   90   1HG   LYS  13          1HG       LYS  13 -11.462  -2.137  -3.828
   91   2HG   LYS  13          2HG       LYS  13 -10.010  -3.083  -4.146
   92   1HD   LYS  13          1HD       LYS  13  -8.896  -2.153  -2.238
   93   2HD   LYS  13          2HD       LYS  13 -10.168  -0.963  -1.992
   94   1HE   LYS  13          1HE       LYS  13 -11.769  -2.733  -1.430
   95   2HE   LYS  13          2HE       LYS  13 -10.552  -3.976  -1.774
   96   1HZ   LYS  13          1HZ       LYS  13 -10.916  -2.858   0.638
   97   2HZ   LYS  13          2HZ       LYS  13  -9.713  -1.839   0.007
   98   3HZ   LYS  13          3HZ       LYS  13  -9.440  -3.512   0.120
   99    H    TYR  14           H        TYR  14 -11.751  -0.158  -2.042
  100    HA   TYR  14           HA       TYR  14 -14.313  -0.965  -3.181
  101   1HB   TYR  14          1HB       TYR  14 -12.925  -1.179  -0.742
  102   2HB   TYR  14          2HB       TYR  14 -14.333  -0.186  -0.385
  103    HD1  TYR  14           1HD      TYR  14 -15.759  -1.686   0.787
  104    HD2  TYR  14           2HD      TYR  14 -14.017  -2.854  -2.962
  105    HE1  TYR  14           1HE      TYR  14 -17.197  -3.705   0.748
  106    HE2  TYR  14           2HE      TYR  14 -15.455  -4.873  -3.000
  107    HH   TYR  14           HH       TYR  14 -17.408  -5.790  -0.241
  108    H    ARG  15           H        ARG  15 -13.082   1.844  -1.370
  109    HA   ARG  15           HA       ARG  15 -15.506   3.437  -1.986
  110   1HB   ARG  15          1HB       ARG  15 -13.043   3.632  -0.296
  111   2HB   ARG  15          2HB       ARG  15 -13.819   5.137  -0.767
  112   1HG   ARG  15          1HG       ARG  15 -15.341   4.812   0.867
  113   2HG   ARG  15          2HG       ARG  15 -15.880   3.349   0.037
  114   1HD   ARG  15          1HD       ARG  15 -13.430   3.338   1.807
  115   2HD   ARG  15          2HD       ARG  15 -15.053   3.058   2.466
  116    HE   ARG  15           HE       ARG  15 -13.803   1.392   0.291
  117   1HH1  ARG  15          1HH1      ARG  15 -13.930   0.312   3.085
  118   2HH1  ARG  15          2HH1      ARG  15 -15.395  -0.612   3.055
  119   1HH2  ARG  15          1HH2      ARG  15 -16.598   0.892   0.172
  120   2HH2  ARG  15          2HH2      ARG  15 -16.905  -0.285   1.406
  121    H    ASN  16           H        ASN  16 -11.995   3.918  -2.310
  122    HA   ASN  16           HA       ASN  16 -12.132   5.927  -4.365
  123   1HB   ASN  16          1HB       ASN  16 -10.208   4.357  -2.833
  124   2HB   ASN  16          2HB       ASN  16  -9.678   4.573  -4.497
  125   1HD2  ASN  16          1HD2      ASN  16  -7.963   5.904  -3.246
  126   2HD2  ASN  16          2HD2      ASN  16  -8.318   7.546  -2.988
  127    HA   PRO  17           HA       PRO  17 -12.788   2.725  -7.467
  128   1HB   PRO  17          1HB       PRO  17 -14.110   4.332  -9.254
  129   2HB   PRO  17          2HB       PRO  17 -14.904   3.590  -7.852
  130   1HG   PRO  17          1HG       PRO  17 -14.136   6.388  -8.326
  131   2HG   PRO  17          2HG       PRO  17 -15.340   5.723  -7.217
  132   1HD   PRO  17          1HD       PRO  17 -12.685   6.626  -6.618
  133   2HD   PRO  17          2HD       PRO  17 -13.888   5.942  -5.503
  134    H    SER  18           H        SER  18 -10.923   5.531  -7.429
  135    HA   SER  18           HA       SER  18  -9.922   5.152 -10.218
  136   1HB   SER  18          1HB       SER  18 -10.586   7.400  -9.599
  137   2HB   SER  18          2HB       SER  18  -9.616   7.330  -8.131
  138    HG   SER  18           HG       SER  18  -8.031   8.031  -9.275
  139    H    LEU  19           H        LEU  19  -8.990   4.887  -6.833
  140    HA   LEU  19           HA       LEU  19  -6.139   4.643  -7.351
  141   1HB   LEU  19          1HB       LEU  19  -5.994   4.574  -5.065
  142   2HB   LEU  19          2HB       LEU  19  -7.621   5.222  -5.192
  143    HG   LEU  19           HG       LEU  19  -7.782   3.468  -3.603
  144   1HD1  LEU  19          1HD1      LEU  19  -9.574   2.499  -4.521
  145   2HD1  LEU  19          2HD1      LEU  19  -8.587   1.629  -5.693
  146   3HD1  LEU  19          3HD1      LEU  19  -9.132   3.265  -6.041
  147   1HD2  LEU  19          1HD2      LEU  19  -5.558   2.402  -4.926
  148   2HD2  LEU  19          2HD2      LEU  19  -6.825   1.197  -5.125
  149   3HD2  LEU  19          3HD2      LEU  19  -6.363   1.734  -3.511
  150    H    LYS  20           H        LYS  20  -4.944   2.608  -6.728
  151    HA   LYS  20           HA       LYS  20  -6.452   0.102  -7.260
  152   1HB   LYS  20          1HB       LYS  20  -4.676  -0.441  -8.996
  153   2HB   LYS  20          2HB       LYS  20  -5.741   0.887  -9.448
  154   1HG   LYS  20          1HG       LYS  20  -3.994   2.458  -8.466
  155   2HG   LYS  20          2HG       LYS  20  -2.919   1.061  -8.365
  156   1HD   LYS  20          1HD       LYS  20  -2.339   1.554 -10.497
  157   2HD   LYS  20          2HD       LYS  20  -3.915   0.909 -10.951
  158   1HE   LYS  20          1HE       LYS  20  -4.755   2.992 -11.402
  159   2HE   LYS  20          2HE       LYS  20  -3.939   3.721 -10.004
  160   1HZ   LYS  20          1HZ       LYS  20  -3.003   4.392 -12.206
  161   2HZ   LYS  20          2HZ       LYS  20  -2.541   2.776 -12.456
  162   3HZ   LYS  20          3HZ       LYS  20  -1.870   3.665 -11.174
  163    H    LEU  21           H        LEU  21  -3.979  -1.397  -7.612
  164    HA   LEU  21           HA       LEU  21  -2.786  -1.094  -4.880
  165   1HB   LEU  21          1HB       LEU  21  -3.793  -3.439  -6.479
  166   2HB   LEU  21          2HB       LEU  21  -2.576  -3.686  -5.230
  167    HG   LEU  21           HG       LEU  21  -4.064  -2.624  -3.567
  168   1HD1  LEU  21          1HD1      LEU  21  -5.638  -2.052  -6.029
  169   2HD1  LEU  21          2HD1      LEU  21  -5.491  -1.105  -4.549
  170   3HD1  LEU  21          3HD1      LEU  21  -6.564  -2.501  -4.599
  171   1HD2  LEU  21          1HD2      LEU  21  -4.727  -4.758  -3.277
  172   2HD2  LEU  21          2HD2      LEU  21  -4.608  -5.084  -5.007
  173   3HD2  LEU  21          3HD2      LEU  21  -6.093  -4.409  -4.338
  174    H    MET  22           H        MET  22  -0.511  -1.204  -4.807
  175    HA   MET  22           HA       MET  22   0.854  -1.503  -7.441
  176   1HB   MET  22          1HB       MET  22   2.473  -0.419  -5.281
  177   2HB   MET  22          2HB       MET  22   2.077   0.312  -6.817
  178   1HG   MET  22          1HG       MET  22  -0.095   1.064  -5.903
  179   2HG   MET  22          2HG       MET  22   0.320   0.341  -4.356
  180   1HE   MET  22          1HE       MET  22   2.818   2.263  -6.788
  181   2HE   MET  22          2HE       MET  22   3.525   1.208  -5.568
  182   3HE   MET  22          3HE       MET  22   3.777   2.948  -5.472
  183    H    VAL  23           H        VAL  23   2.302  -3.116  -7.720
  184    HA   VAL  23           HA       VAL  23   2.769  -4.960  -5.410
  185    HB   VAL  23           HB       VAL  23   3.018  -5.344  -8.412
  186   1HG1  VAL  23          1HG1      VAL  23   3.215  -7.201  -6.039
  187   2HG1  VAL  23          2HG1      VAL  23   4.369  -6.983  -7.354
  188   3HG1  VAL  23          3HG1      VAL  23   2.833  -7.795  -7.656
  189   1HG2  VAL  23          1HG2      VAL  23   0.755  -5.358  -8.339
  190   2HG2  VAL  23          2HG2      VAL  23   0.740  -5.341  -6.576
  191   3HG2  VAL  23          3HG2      VAL  23   0.899  -6.869  -7.442
  192    H    ASN  24           H        ASN  24   5.010  -6.176  -5.693
  193    HA   ASN  24           HA       ASN  24   7.179  -4.756  -6.986
  194   1HB   ASN  24          1HB       ASN  24   8.143  -3.930  -4.779
  195   2HB   ASN  24          2HB       ASN  24   6.723  -3.075  -5.373
  196   1HD2  ASN  24          1HD2      ASN  24   4.656  -3.480  -4.265
  197   2HD2  ASN  24          2HD2      ASN  24   4.618  -4.205  -2.730
  198    H    VAL  25           H        VAL  25   9.317  -5.501  -6.183
  199    HA   VAL  25           HA       VAL  25  10.624  -7.526  -6.100
  200    HB   VAL  25           HB       VAL  25  11.101  -6.162  -4.224
  201   1HG1  VAL  25          1HG1      VAL  25   9.485  -6.697  -2.117
  202   2HG1  VAL  25          2HG1      VAL  25   8.336  -6.896  -3.439
  203   3HG1  VAL  25          3HG1      VAL  25   9.199  -5.371  -3.243
  204   1HG2  VAL  25          1HG2      VAL  25  10.594  -8.389  -2.454
  205   2HG2  VAL  25          2HG2      VAL  25  12.128  -7.815  -3.105
  206   3HG2  VAL  25          3HG2      VAL  25  11.158  -8.971  -4.019
  207    H    CYS  26           H        CYS  26   8.922  -8.656  -3.280
  208    HA   CYS  26           HA       CYS  26   8.662 -11.308  -4.051
  209   1HB   CYS  26          1HB       CYS  26   6.688 -11.242  -2.396
  210   2HB   CYS  26          2HB       CYS  26   8.239 -10.648  -1.803
  211    H    GLY  27           H        GLY  27   6.297  -8.691  -4.622
  212   1HA   GLY  27          1HA       GLY  27   4.933  -8.617  -6.632
  213   2HA   GLY  27          2HA       GLY  27   5.116 -10.365  -6.780
  214    H    HIS  28           H        HIS  28   3.994  -8.146  -4.187
  215    HA   HIS  28           HA       HIS  28   1.749 -10.044  -3.693
  216   1HB   HIS  28          1HB       HIS  28   3.404  -8.148  -2.109
  217   2HB   HIS  28          2HB       HIS  28   1.716  -8.304  -1.607
  218    HD2  HIS  28           2HD      HIS  28   1.422 -11.554  -2.302
  219    HE1  HIS  28           1HE      HIS  28   4.586 -12.035   0.442
  220    HE2  HIS  28           2HE      HIS  28   2.710 -13.227  -0.775
  221    H    THR  29           H        THR  29   1.377  -6.762  -2.594
  222    HA   THR  29           HA       THR  29   0.112  -5.524  -4.806
  223    HB   THR  29           HB       THR  29  -1.393  -7.693  -3.448
  224    HG1  THR  29           1HG      THR  29  -1.897  -8.083  -5.456
  225   1HG2  THR  29          1HG2      THR  29  -3.565  -6.391  -4.185
  226   2HG2  THR  29          2HG2      THR  29  -2.567  -4.966  -3.898
  227   3HG2  THR  29          3HG2      THR  29  -2.870  -6.107  -2.591
  228    H    LEU  30           H        LEU  30  -0.125  -3.416  -4.140
  229    HA   LEU  30           HA       LEU  30  -0.789  -2.920  -1.253
  230   1HB   LEU  30          1HB       LEU  30   1.556  -2.325  -2.742
  231   2HB   LEU  30          2HB       LEU  30   0.758  -0.805  -2.380
  232    HG   LEU  30           HG       LEU  30   0.681  -1.353  -0.042
  233   1HD1  LEU  30          1HD1      LEU  30   0.956  -3.999  -1.081
  234   2HD1  LEU  30          2HD1      LEU  30   0.601  -3.523   0.575
  235   3HD1  LEU  30          3HD1      LEU  30   2.270  -3.717   0.044
  236   1HD2  LEU  30          1HD2      LEU  30   3.048  -0.982  -1.508
  237   2HD2  LEU  30          2HD2      LEU  30   3.428  -2.238  -0.333
  238   3HD2  LEU  30          3HD2      LEU  30   2.822  -0.674   0.212
  239    H    CYS  31           H        CYS  31  -2.887  -2.104  -1.408
  240    HA   CYS  31           HA       CYS  31  -4.032  -0.678  -3.533
  241   1HB   CYS  31          1HB       CYS  31  -5.700  -0.634  -2.017
  242   2HB   CYS  31          2HB       CYS  31  -4.615  -1.435  -0.920
  243    H    GLU  32           H        GLU  32  -4.490   1.828  -3.434
  244    HA   GLU  32           HA       GLU  32  -1.898   3.148  -3.501
  245   1HB   GLU  32          1HB       GLU  32  -3.079   4.852  -4.488
  246   2HB   GLU  32          2HB       GLU  32  -4.343   3.641  -4.590
  247   1HG   GLU  32          1HG       GLU  32  -5.402   5.554  -3.657
  248   2HG   GLU  32          2HG       GLU  32  -5.119   4.492  -2.285
  249    H    SER  33           H        SER  33  -4.576   3.176  -1.161
  250    HA   SER  33           HA       SER  33  -3.414   5.086   0.620
  251   1HB   SER  33          1HB       SER  33  -5.475   2.875   0.914
  252   2HB   SER  33          2HB       SER  33  -5.058   3.971   2.234
  253    HG   SER  33           HG       SER  33  -6.755   4.872   1.139
  254    H    CYS  34           H        CYS  34  -2.550   1.773  -0.011
  255    HA   CYS  34           HA       CYS  34  -1.460   1.281   2.681
  256   1HB   CYS  34          1HB       CYS  34  -1.352  -0.124  -0.002
  257   2HB   CYS  34          2HB       CYS  34  -0.289  -0.594   1.323
  258    H    VAL  35           H        VAL  35   0.162   1.222  -0.469
  259    HA   VAL  35           HA       VAL  35   2.779   1.587   0.205
  260    HB   VAL  35           HB       VAL  35   0.984   2.315  -2.018
  261   1HG1  VAL  35          1HG1      VAL  35   3.076   3.529  -3.092
  262   2HG1  VAL  35          2HG1      VAL  35   3.400   3.961  -1.414
  263   3HG1  VAL  35          3HG1      VAL  35   1.881   4.438  -2.169
  264   1HG2  VAL  35          1HG2      VAL  35   2.103   0.422  -2.542
  265   2HG2  VAL  35          2HG2      VAL  35   3.475   0.821  -1.510
  266   3HG2  VAL  35          3HG2      VAL  35   3.331   1.546  -3.110
  267    H    ASP  36           H        ASP  36   0.302   4.171   0.136
  268    HA   ASP  36           HA       ASP  36   2.106   6.306   0.776
  269   1HB   ASP  36          1HB       ASP  36   0.198   7.477   0.444
  270   2HB   ASP  36          2HB       ASP  36  -0.601   5.939   0.155
  271    H    LEU  37           H        LEU  37  -0.272   4.760   3.056
  272    HA   LEU  37           HA       LEU  37   0.948   5.797   5.405
  273   1HB   LEU  37          1HB       LEU  37  -0.844   3.521   4.659
  274   2HB   LEU  37          2HB       LEU  37  -0.145   3.505   6.278
  275    HG   LEU  37           HG       LEU  37  -1.390   6.037   5.255
  276   1HD1  LEU  37          1HD1      LEU  37  -3.072   4.016   6.701
  277   2HD1  LEU  37          2HD1      LEU  37  -2.905   3.899   4.949
  278   3HD1  LEU  37          3HD1      LEU  37  -3.578   5.358   5.675
  279   1HD2  LEU  37          1HD2      LEU  37  -1.314   6.633   7.454
  280   2HD2  LEU  37          2HD2      LEU  37  -0.145   5.320   7.588
  281   3HD2  LEU  37          3HD2      LEU  37  -1.837   5.040   8.001
  282    H    LEU  38           H        LEU  38   1.483   2.765   3.663
  283    HA   LEU  38           HA       LEU  38   3.314   1.469   5.311
  284   1HB   LEU  38          1HB       LEU  38   2.297   1.073   2.877
  285   2HB   LEU  38          2HB       LEU  38   3.852   1.731   2.372
  286    HG   LEU  38           HG       LEU  38   3.923  -0.737   2.526
  287   1HD1  LEU  38          1HD1      LEU  38   5.736   1.078   3.637
  288   2HD1  LEU  38          2HD1      LEU  38   6.067  -0.596   3.218
  289   3HD1  LEU  38          3HD1      LEU  38   5.580  -0.177   4.860
  290   1HD2  LEU  38          1HD2      LEU  38   3.559  -1.880   4.601
  291   2HD2  LEU  38          2HD2      LEU  38   2.188  -0.787   4.408
  292   3HD2  LEU  38          3HD2      LEU  38   3.503  -0.368   5.505
  293    H    PHE  39           H        PHE  39   4.108   3.904   2.791
  294    HA   PHE  39           HA       PHE  39   6.852   4.052   3.787
  295   1HB   PHE  39          1HB       PHE  39   5.612   5.654   1.571
  296   2HB   PHE  39          2HB       PHE  39   7.300   5.163   1.736
  297    HD1  PHE  39           1HD      PHE  39   5.202   4.603  -0.590
  298    HD2  PHE  39           2HD      PHE  39   6.682   2.331   2.735
  299    HE1  PHE  39           1HE      PHE  39   4.661   2.498  -1.784
  300    HE2  PHE  39           2HE      PHE  39   6.143   0.225   1.544
  301    HZ   PHE  39           HZ       PHE  39   5.109   0.308  -0.705
  302    H    VAL  40           H        VAL  40   4.034   6.150   3.949
  303    HA   VAL  40           HA       VAL  40   5.265   8.637   4.413
  304    HB   VAL  40           HB       VAL  40   3.333   9.221   5.771
  305   1HG1  VAL  40          1HG1      VAL  40   2.157   9.218   3.875
  306   2HG1  VAL  40          2HG1      VAL  40   1.709   7.539   4.173
  307   3HG1  VAL  40          3HG1      VAL  40   3.154   7.912   3.234
  308   1HG2  VAL  40          1HG2      VAL  40   1.718   7.213   6.261
  309   2HG2  VAL  40          2HG2      VAL  40   3.069   7.534   7.348
  310   3HG2  VAL  40          3HG2      VAL  40   3.191   6.255   6.144
  311    H    ARG  41           H        ARG  41   5.290   5.784   6.400
  312    HA   ARG  41           HA       ARG  41   6.405   7.198   8.752
  313   1HB   ARG  41          1HB       ARG  41   6.409   4.220   8.478
  314   2HB   ARG  41          2HB       ARG  41   5.944   5.212   9.857
  315   1HG   ARG  41          1HG       ARG  41   3.926   5.931   8.393
  316   2HG   ARG  41          2HG       ARG  41   4.333   4.530   7.402
  317   1HD   ARG  41          1HD       ARG  41   4.324   3.842  10.238
  318   2HD   ARG  41          2HD       ARG  41   2.759   4.500   9.721
  319    HE   ARG  41           HE       ARG  41   2.750   2.782   7.921
  320   1HH1  ARG  41          1HH2      ARG  41   3.736   1.869  10.913
  321   2HH1  ARG  41          2HH2      ARG  41   4.652   0.483  10.423
  322   1HH2  ARG  41          1HH1      ARG  41   4.533   1.270   7.047
  323   2HH2  ARG  41          2HH1      ARG  41   5.103   0.143   8.233
  324    H    GLY  42           H        GLY  42   7.709   6.804   5.934
  325   1HA   GLY  42          1HA       GLY  42  10.069   6.957   5.477
  326   2HA   GLY  42          2HA       GLY  42  10.392   6.124   6.999
  327    H    ALA  43           H        ALA  43   8.210   5.259   4.281
  328    HA   ALA  43           HA       ALA  43   8.244   3.327   2.880
  329   1HB   ALA  43          1HB       ALA  43  10.702   4.167   2.932
  330   2HB   ALA  43          2HB       ALA  43  10.360   2.546   2.330
  331   3HB   ALA  43          3HB       ALA  43  10.978   2.767   3.968
  332    H    GLY  44           H        GLY  44   9.796   0.836   3.794
  333   1HA   GLY  44          1HA       GLY  44   9.554  -0.185   6.221
  334   2HA   GLY  44          2HA       GLY  44   7.841   0.121   5.934
  335    H    ASN  45           H        ASN  45   8.802  -0.494   2.953
  336    HA   ASN  45           HA       ASN  45   8.927  -2.410   1.574
  337   1HB   ASN  45          1HB       ASN  45   9.188  -4.076   4.069
  338   2HB   ASN  45          2HB       ASN  45   9.951  -4.309   2.497
  339   1HD2  ASN  45          1HD2      ASN  45  11.392  -4.147   5.073
  340   2HD2  ASN  45          2HD2      ASN  45  12.404  -2.787   4.979
  341    H    CYS  46           H        CYS  46   7.785  -4.711   1.485
  342    HA   CYS  46           HA       CYS  46   5.080  -4.485   1.199
  343   1HB   CYS  46          1HB       CYS  46   6.943  -6.449   1.076
  344   2HB   CYS  46          2HB       CYS  46   5.985  -7.006   2.445
  345    HA   PRO  47           HA       PRO  47   3.445  -4.148   5.314
  346   1HB   PRO  47          1HB       PRO  47   0.822  -4.077   4.529
  347   2HB   PRO  47          2HB       PRO  47   1.918  -2.712   4.334
  348   1HG   PRO  47          1HG       PRO  47   0.839  -4.570   2.341
  349   2HG   PRO  47          2HG       PRO  47   1.441  -2.921   2.138
  350   1HD   PRO  47          1HD       PRO  47   2.792  -5.354   1.545
  351   2HD   PRO  47          2HD       PRO  47   3.434  -3.701   1.447
  352    H    GLU  48           H        GLU  48   2.992  -6.758   3.130
  353    HA   GLU  48           HA       GLU  48   1.476  -8.315   5.185
  354   1HB   GLU  48          1HB       GLU  48   0.464  -9.423   3.393
  355   2HB   GLU  48          2HB       GLU  48   0.689  -7.806   2.741
  356   1HG   GLU  48          1HG       GLU  48   1.620  -8.974   1.004
  357   2HG   GLU  48          2HG       GLU  48   3.053  -8.895   2.027
  358    H    CYS  49           H        CYS  49   4.417  -8.381   3.168
  359    HA   CYS  49           HA       CYS  49   5.226 -10.824   4.706
  360   1HB   CYS  49          1HB       CYS  49   5.992 -11.813   2.748
  361   2HB   CYS  49          2HB       CYS  49   4.627 -10.891   2.134
  362    H    GLY  50           H        GLY  50   5.727  -7.685   4.670
  363   1HA   GLY  50          1HA       GLY  50   7.590  -6.239   4.932
  364   2HA   GLY  50          2HA       GLY  50   7.984  -7.448   6.152
  365    H    THR  51           H        THR  51   8.754  -6.224   2.986
  366    HA   THR  51           HA       THR  51  10.834  -8.327   2.589
  367    HB   THR  51           HB       THR  51  10.915  -7.375   0.322
  368    HG1  THR  51           1HG      THR  51   9.092  -5.667   0.129
  369   1HG2  THR  51          1HG2      THR  51   9.184  -8.967   0.516
  370   2HG2  THR  51          2HG2      THR  51   8.387  -7.567  -0.204
  371   3HG2  THR  51          3HG2      THR  51   8.199  -7.901   1.518
  372    HA   PRO  52           HA       PRO  52  13.992  -5.464   3.696
  373   1HB   PRO  52          1HB       PRO  52  16.051  -6.258   2.082
  374   2HB   PRO  52          2HB       PRO  52  15.473  -7.219   3.456
  375   1HG   PRO  52          1HG       PRO  52  15.073  -7.614   0.556
  376   2HG   PRO  52          2HG       PRO  52  15.105  -8.801   1.865
  377   1HD   PRO  52          1HD       PRO  52  12.824  -7.748   0.577
  378   2HD   PRO  52          2HD       PRO  52  12.853  -8.749   2.045
  379    H    LEU  53           H        LEU  53  12.443  -3.800   2.340
  380    HA   LEU  53           HA       LEU  53  14.129  -2.696   0.117
  381   1HB   LEU  53          1HB       LEU  53  11.124  -2.537   0.557
  382   2HB   LEU  53          2HB       LEU  53  11.998  -1.982  -0.871
  383    HG   LEU  53           HG       LEU  53  11.560  -4.839   0.070
  384   1HD1  LEU  53          1HD1      LEU  53   9.859  -4.026  -1.404
  385   2HD1  LEU  53          2HD1      LEU  53  10.924  -5.058  -2.359
  386   3HD1  LEU  53          3HD1      LEU  53  11.056  -3.310  -2.486
  387   1HD2  LEU  53          1HD2      LEU  53  13.085  -5.063  -2.193
  388   2HD2  LEU  53          2HD2      LEU  53  13.723  -5.215  -0.558
  389   3HD2  LEU  53          3HD2      LEU  53  13.846  -3.678  -1.413
  390    H    ARG  54           H        ARG  54  13.350  -0.157  -0.098
  391    HA   ARG  54           HA       ARG  54  12.621   1.199   2.343
  392   1HB   ARG  54          1HB       ARG  54  14.801   0.178   2.994
  393   2HB   ARG  54          2HB       ARG  54  15.580   1.061   1.682
  394   1HG   ARG  54          1HG       ARG  54  14.682   3.190   2.729
  395   2HG   ARG  54          2HG       ARG  54  14.192   2.216   4.116
  396   1HD   ARG  54          1HD       ARG  54  16.308   2.725   4.874
  397   2HD   ARG  54          2HD       ARG  54  16.800   1.410   3.788
  398    HE   ARG  54           HE       ARG  54  16.505   3.885   2.327
  399   1HH1  ARG  54          1HH2      ARG  54  18.700   1.593   3.345
  400   2HH1  ARG  54          2HH2      ARG  54  20.075   2.647   3.371
  401   1HH2  ARG  54          1HH1      ARG  54  18.209   5.526   2.871
  402   2HH2  ARG  54          2HH1      ARG  54  19.796   4.874   3.102
  403    H    LYS  55           H        LYS  55  11.613   1.891   0.001
  404    HA   LYS  55           HA       LYS  55  12.291   4.607  -0.424
  405   1HB   LYS  55          1HB       LYS  55  13.451   4.239  -2.708
  406   2HB   LYS  55          2HB       LYS  55  14.412   3.944  -1.262
  407   1HG   LYS  55          1HG       LYS  55  14.785   2.081  -2.731
  408   2HG   LYS  55          2HG       LYS  55  13.724   1.498  -1.451
  409   1HD   LYS  55          1HD       LYS  55  11.825   1.541  -2.847
  410   2HD   LYS  55          2HD       LYS  55  12.600   2.614  -4.015
  411   1HE   LYS  55          1HE       LYS  55  13.600  -0.195  -3.465
  412   2HE   LYS  55          2HE       LYS  55  12.438   0.185  -4.750
  413   1HZ   LYS  55          1HZ       LYS  55  14.073   1.978  -5.421
  414   2HZ   LYS  55          2HZ       LYS  55  14.574   0.383  -5.721
  415   3HZ   LYS  55          3HZ       LYS  55  15.195   1.235  -4.390
  416    H    SER  56           H        SER  56   9.876   3.273  -0.289
  417    HA   SER  56           HA       SER  56   7.856   2.857  -1.449
  418   1HB   SER  56          1HB       SER  56   7.630   4.660  -3.330
  419   2HB   SER  56          2HB       SER  56   7.821   5.202  -1.664
  420    HG   SER  56           HG       SER  56   9.579   6.140  -2.242
  421    H    ASN  57           H        ASN  57   9.333   0.831  -2.143
  422    HA   ASN  57           HA       ASN  57   9.974   0.695  -5.023
  423   1HB   ASN  57          1HB       ASN  57  10.636  -1.612  -4.306
  424   2HB   ASN  57          2HB       ASN  57  11.350  -0.364  -3.283
  425   1HD2  ASN  57          1HD2      ASN  57   8.727  -2.781  -3.423
  426   2HD2  ASN  57          2HD2      ASN  57   8.466  -2.835  -1.745
  427    H    PHE  58           H        PHE  58   7.224   1.210  -4.853
  428    HA   PHE  58           HA       PHE  58   6.041  -1.491  -5.390
  429   1HB   PHE  58          1HB       PHE  58   4.723   0.916  -4.080
  430   2HB   PHE  58          2HB       PHE  58   4.021  -0.687  -4.244
  431    HD1  PHE  58           1HD      PHE  58   7.097   0.964  -2.858
  432    HD2  PHE  58           2HD      PHE  58   4.267  -2.242  -2.546
  433    HE1  PHE  58           1HE      PHE  58   8.227   0.171  -0.796
  434    HE2  PHE  58           2HE      PHE  58   5.385  -3.032  -0.479
  435    HZ   PHE  58           HZ       PHE  58   7.370  -1.828   0.393
  436    H    ARG  59           H        ARG  59   5.202  -1.700  -7.387
  437    HA   ARG  59           HA       ARG  59   4.862   0.722  -9.082
  438   1HB   ARG  59          1HB       ARG  59   4.593  -1.114 -10.857
  439   2HB   ARG  59          2HB       ARG  59   6.164  -1.021 -10.067
  440   1HG   ARG  59          1HG       ARG  59   5.768  -2.937  -8.772
  441   2HG   ARG  59          2HG       ARG  59   4.017  -2.808  -8.947
  442   1HD   ARG  59          1HD       ARG  59   5.068  -4.658 -10.335
  443   2HD   ARG  59          2HD       ARG  59   4.159  -3.473 -11.294
  444    HE   ARG  59           HE       ARG  59   6.229  -2.714 -12.187
  445   1HH1  ARG  59          1HH2      ARG  59   7.539  -2.259  -9.505
  446   2HH1  ARG  59          2HH2      ARG  59   8.877  -3.356  -9.576
  447   1HH2  ARG  59          1HH1      ARG  59   7.586  -5.170 -12.236
  448   2HH2  ARG  59          2HH1      ARG  59   8.903  -5.005 -11.123
  449    H    VAL  60           H        VAL  60   2.875   1.596  -8.930
  450    HA   VAL  60           HA       VAL  60   0.535  -0.023  -8.202
  451    HB   VAL  60           HB       VAL  60   1.026   2.107  -7.157
  452   1HG1  VAL  60          1HG1      VAL  60   2.214   3.322  -8.807
  453   2HG1  VAL  60          2HG1      VAL  60   0.681   4.183  -8.674
  454   3HG1  VAL  60          3HG1      VAL  60   0.957   3.076 -10.020
  455   1HG2  VAL  60          1HG2      VAL  60  -1.410   2.050  -8.960
  456   2HG2  VAL  60          2HG2      VAL  60  -1.168   3.291  -7.731
  457   3HG2  VAL  60          3HG2      VAL  60  -1.317   1.597  -7.259
  458    H    GLN  61           H        GLN  61  -1.083  -0.627  -9.522
  459    HA   GLN  61           HA       GLN  61  -1.737   0.652 -12.045
  460   1HB   GLN  61          1HB       GLN  61  -0.987  -1.244 -13.463
  461   2HB   GLN  61          2HB       GLN  61   0.376  -0.489 -12.634
  462   1HG   GLN  61          1HG       GLN  61  -0.400  -2.366 -10.797
  463   2HG   GLN  61          2HG       GLN  61  -0.773  -3.193 -12.310
  464   1HE2  GLN  61          1HE2      GLN  61   1.062  -4.680 -11.958
  465   2HE2  GLN  61          2HE2      GLN  61   2.659  -4.154 -12.200
  466    H    LEU  62           H        LEU  62  -3.352  -0.932 -13.265
  467    HA   LEU  62           HA       LEU  62  -4.608  -3.067 -11.769
  468   1HB   LEU  62          1HB       LEU  62  -5.090  -0.552 -10.776
  469   2HB   LEU  62          2HB       LEU  62  -6.457  -0.765 -11.862
  470    HG   LEU  62           HG       LEU  62  -7.043  -2.875 -10.752
  471   1HD1  LEU  62          1HD1      LEU  62  -5.810  -3.428  -8.595
  472   2HD1  LEU  62          2HD1      LEU  62  -4.568  -2.293  -9.111
  473   3HD1  LEU  62          3HD1      LEU  62  -4.904  -3.729 -10.075
  474   1HD2  LEU  62          1HD2      LEU  62  -8.231  -1.657  -9.275
  475   2HD2  LEU  62          2HD2      LEU  62  -7.165  -0.290  -9.592
  476   3HD2  LEU  62          3HD2      LEU  62  -6.794  -1.411  -8.282
  477    H    PHE  63           H        PHE  63  -5.197  -4.261 -13.554
  478    HA   PHE  63           HA       PHE  63  -7.232  -3.308 -15.376
  479   1HB   PHE  63          1HB       PHE  63  -4.905  -2.183 -15.948
  480   2HB   PHE  63          2HB       PHE  63  -4.579  -3.739 -16.714
  481    HD1  PHE  63           1HD      PHE  63  -6.717  -0.731 -16.751
  482    HD2  PHE  63           2HD      PHE  63  -5.827  -4.469 -18.671
  483    HE1  PHE  63           1HE      PHE  63  -8.081  -0.050 -18.707
  484    HE2  PHE  63           2HE      PHE  63  -7.191  -3.788 -20.627
  485    HZ   PHE  63           HZ       PHE  63  -8.318  -1.579 -20.646
  486    H    GLU  64           H        GLU  64  -7.757  -4.983 -17.012
  487    HA   GLU  64           HA       GLU  64  -7.059  -7.697 -16.031
  488   1HB   GLU  64          1HB       GLU  64  -9.408  -6.656 -16.578
  489   2HB   GLU  64          2HB       GLU  64  -8.979  -7.023 -18.249
  490   1HG   GLU  64          1HG       GLU  64  -8.828  -9.349 -17.812
  491   2HG   GLU  64          2HG       GLU  64  -8.755  -9.099 -16.067
  492    H    ASP  65           H        ASP  65  -4.801  -6.854 -17.158
  493    HA   ASP  65           HA       ASP  65  -4.830  -7.975 -19.944
  494   1HB   ASP  65          1HB       ASP  65  -4.448  -5.442 -19.518
  495   2HB   ASP  65          2HB       ASP  65  -2.875  -5.931 -18.887
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -10.303  -7.132  -8.164
    2   2H    MET   1          2HT       MET   1 -10.190  -6.040  -9.460
    3   3H    MET   1          3HT       MET   1 -10.641  -7.654  -9.742
    4    HA   MET   1           HA       MET   1 -12.453  -5.784  -9.649
    5   1HB   MET   1          1HB       MET   1 -13.962  -7.625  -8.867
    6   2HB   MET   1          2HB       MET   1 -12.779  -8.176 -10.054
    7   1HG   MET   1          1HG       MET   1 -11.311  -8.738  -7.973
    8   2HG   MET   1          2HG       MET   1 -12.825  -8.635  -7.075
    9   1HE   MET   1          1HE       MET   1 -11.072 -10.785  -6.982
   10   2HE   MET   1          2HE       MET   1 -11.513 -12.311  -7.745
   11   3HE   MET   1          3HE       MET   1 -12.551 -11.625  -6.498
   12    H    ASP   2           H        ASP   2 -11.142  -4.377  -7.863
   13    HA   ASP   2           HA       ASP   2 -11.126  -3.436  -5.685
   14   1HB   ASP   2          1HB       ASP   2 -14.022  -4.233  -6.131
   15   2HB   ASP   2          2HB       ASP   2 -13.480  -3.073  -4.919
   16    H    ASP   3           H        ASP   3 -13.825  -5.409  -4.694
   17    HA   ASP   3           HA       ASP   3 -13.967  -6.835  -2.792
   18   1HB   ASP   3          1HB       ASP   3 -12.953  -8.936  -3.352
   19   2HB   ASP   3          2HB       ASP   3 -13.333  -8.156  -4.887
   20    H    GLN   4           H        GLN   4 -11.757  -8.439  -1.735
   21    HA   GLN   4           HA       GLN   4 -10.779  -6.912   0.368
   22   1HB   GLN   4          1HB       GLN   4 -10.387  -9.449  -0.722
   23   2HB   GLN   4          2HB       GLN   4  -8.772  -8.741  -0.733
   24   1HG   GLN   4          1HG       GLN   4 -10.562  -8.637   1.702
   25   2HG   GLN   4          2HG       GLN   4  -9.456  -9.979   1.406
   26   1HE2  GLN   4          1HE2      GLN   4  -7.104  -9.031   0.707
   27   2HE2  GLN   4          2HE2      GLN   4  -6.524  -7.806   1.727
   28    H    GLY   5           H        GLY   5  -9.180  -7.422  -2.782
   29   1HA   GLY   5          1HA       GLY   5  -7.336  -6.298  -3.735
   30   2HA   GLY   5          2HA       GLY   5  -8.323  -4.886  -3.359
   31    H    CYS   6           H        CYS   6  -7.586  -3.484  -1.798
   32    HA   CYS   6           HA       CYS   6  -4.952  -3.362  -0.980
   33   1HB   CYS   6          1HB       CYS   6  -6.344  -1.475  -0.664
   34   2HB   CYS   6          2HB       CYS   6  -7.545  -2.406   0.216
   35    HA   PRO   7           HA       PRO   7  -4.757  -6.446   2.262
   36   1HB   PRO   7          1HB       PRO   7  -2.041  -6.334   2.527
   37   2HB   PRO   7          2HB       PRO   7  -2.843  -7.183   1.193
   38   1HG   PRO   7          1HG       PRO   7  -1.346  -4.660   1.191
   39   2HG   PRO   7          2HG       PRO   7  -1.723  -5.746  -0.150
   40   1HD   PRO   7          1HD       PRO   7  -3.021  -3.286   0.568
   41   2HD   PRO   7          2HD       PRO   7  -3.377  -4.361  -0.795
   42    H    ARG   8           H        ARG   8  -2.974  -3.334   2.411
   43    HA   ARG   8           HA       ARG   8  -2.678  -3.372   5.321
   44   1HB   ARG   8          1HB       ARG   8  -1.292  -2.244   3.358
   45   2HB   ARG   8          2HB       ARG   8  -2.433  -0.925   3.599
   46   1HG   ARG   8          1HG       ARG   8  -1.457  -0.267   5.502
   47   2HG   ARG   8          2HG       ARG   8  -1.369  -1.921   6.122
   48   1HD   ARG   8          1HD       ARG   8   0.624  -2.315   4.661
   49   2HD   ARG   8          2HD       ARG   8   0.545  -0.619   4.141
   50    HE   ARG   8           HE       ARG   8   1.738  -1.457   6.560
   51   1HH1  ARG   8          1HH2      ARG   8   0.830   1.357   5.232
   52   2HH1  ARG   8          2HH2      ARG   8   0.298   2.138   6.685
   53   1HH2  ARG   8          1HH1      ARG   8   0.345  -0.764   8.581
   54   2HH2  ARG   8          2HH1      ARG   8   0.022   0.938   8.579
   55    H    CYS   9           H        CYS   9  -4.219  -0.888   3.292
   56    HA   CYS   9           HA       CYS   9  -6.123  -0.305   5.511
   57   1HB   CYS   9          1HB       CYS   9  -6.559   1.581   3.531
   58   2HB   CYS   9          2HB       CYS   9  -5.507   1.785   4.916
   59    H    LYS  10           H        LYS  10  -6.876  -2.659   4.244
   60    HA   LYS  10           HA       LYS  10  -8.329  -2.997   2.028
   61   1HB   LYS  10          1HB       LYS  10  -9.960  -4.270   3.359
   62   2HB   LYS  10          2HB       LYS  10  -8.342  -4.469   4.036
   63   1HG   LYS  10          1HG       LYS  10  -8.992  -3.549   5.990
   64   2HG   LYS  10          2HG       LYS  10  -9.639  -2.134   5.165
   65   1HD   LYS  10          1HD       LYS  10 -11.633  -2.932   5.947
   66   2HD   LYS  10          2HD       LYS  10 -11.533  -3.977   4.529
   67   1HE   LYS  10          1HE       LYS  10 -10.297  -4.789   7.171
   68   2HE   LYS  10          2HE       LYS  10 -11.992  -5.148   6.782
   69   1HZ   LYS  10          1HZ       LYS  10 -10.964  -5.924   4.543
   70   2HZ   LYS  10          2HZ       LYS  10 -10.890  -6.959   5.888
   71   3HZ   LYS  10          3HZ       LYS  10  -9.526  -6.053   5.434
   72    H    THR  11           H        THR  11  -8.915  -0.817   1.155
   73    HA   THR  11           HA       THR  11 -11.671  -0.138   1.745
   74    HB   THR  11           HB       THR  11  -9.785   0.648   3.588
   75    HG1  THR  11           1HG      THR  11 -11.460   1.911   4.381
   76   1HG2  THR  11          1HG2      THR  11 -10.209   2.948   1.642
   77   2HG2  THR  11          2HG2      THR  11  -8.689   2.324   2.294
   78   3HG2  THR  11          3HG2      THR  11  -9.799   3.209   3.340
   79    H    THR  12           H        THR  12  -8.654   1.508   0.704
   80    HA   THR  12           HA       THR  12  -9.530   3.505  -0.841
   81    HB   THR  12           HB       THR  12  -7.204   2.385  -0.472
   82    HG1  THR  12           1HG      THR  12  -8.068   3.916  -2.671
   83   1HG2  THR  12          1HG2      THR  12  -7.909   1.420  -3.222
   84   2HG2  THR  12          2HG2      THR  12  -7.684   0.400  -1.801
   85   3HG2  THR  12          3HG2      THR  12  -6.327   1.300  -2.465
   86    H    LYS  13           H        LYS  13  -9.222   0.313  -2.616
   87    HA   LYS  13           HA       LYS  13 -10.787   1.254  -4.788
   88   1HB   LYS  13          1HB       LYS  13 -10.655  -1.017  -5.468
   89   2HB   LYS  13          2HB       LYS  13  -9.223  -0.741  -4.520
   90   1HG   LYS  13          1HG       LYS  13 -11.720  -1.797  -3.211
   91   2HG   LYS  13          2HG       LYS  13 -10.600  -2.887  -4.025
   92   1HD   LYS  13          1HD       LYS  13  -8.759  -1.759  -2.645
   93   2HD   LYS  13          2HD       LYS  13 -10.070  -1.077  -1.667
   94   1HE   LYS  13          1HE       LYS  13  -9.801  -4.057  -2.219
   95   2HE   LYS  13          2HE       LYS  13  -9.136  -3.269  -0.772
   96   1HZ   LYS  13          1HZ       LYS  13 -11.328  -2.399  -0.279
   97   2HZ   LYS  13          2HZ       LYS  13 -11.420  -4.089  -0.430
   98   3HZ   LYS  13          3HZ       LYS  13 -11.965  -3.089  -1.690
   99    H    TYR  14           H        TYR  14 -11.653  -0.079  -1.649
  100    HA   TYR  14           HA       TYR  14 -14.474  -0.513  -2.252
  101   1HB   TYR  14          1HB       TYR  14 -13.033  -1.577  -0.423
  102   2HB   TYR  14          2HB       TYR  14 -13.124  -0.044   0.442
  103    HD1  TYR  14           1HD      TYR  14 -14.486  -3.181   0.391
  104    HD2  TYR  14           2HD      TYR  14 -15.765   0.919   0.278
  105    HE1  TYR  14           1HE      TYR  14 -16.702  -3.846   1.283
  106    HE2  TYR  14           2HE      TYR  14 -17.980   0.253   1.168
  107    HH   TYR  14           HH       TYR  14 -18.602  -2.475   2.694
  108    H    ARG  15           H        ARG  15 -12.506   2.005  -0.812
  109    HA   ARG  15           HA       ARG  15 -14.728   3.925  -0.459
  110   1HB   ARG  15          1HB       ARG  15 -11.975   3.404   0.363
  111   2HB   ARG  15          2HB       ARG  15 -12.190   5.086  -0.094
  112   1HG   ARG  15          1HG       ARG  15 -13.079   5.384   1.977
  113   2HG   ARG  15          2HG       ARG  15 -14.469   4.445   1.418
  114   1HD   ARG  15          1HD       ARG  15 -11.934   3.268   2.609
  115   2HD   ARG  15          2HD       ARG  15 -13.475   3.449   3.475
  116    HE   ARG  15           HE       ARG  15 -13.046   1.698   1.062
  117   1HH1  ARG  15          1HH2      ARG  15 -15.800   2.983   1.974
  118   2HH1  ARG  15          2HH2      ARG  15 -16.519   1.590   2.710
  119   1HH2  ARG  15          1HH1      ARG  15 -13.558  -0.213   2.811
  120   2HH2  ARG  15          2HH1      ARG  15 -15.250  -0.220   3.183
  121    H    ASN  16           H        ASN  16 -11.504   4.453  -1.716
  122    HA   ASN  16           HA       ASN  16 -12.104   6.372  -3.713
  123   1HB   ASN  16          1HB       ASN  16  -9.955   4.380  -3.015
  124   2HB   ASN  16          2HB       ASN  16  -9.867   5.166  -4.591
  125   1HD2  ASN  16          1HD2      ASN  16  -7.772   5.816  -3.388
  126   2HD2  ASN  16          2HD2      ASN  16  -7.840   7.307  -2.565
  127    HA   PRO  17           HA       PRO  17 -13.727   3.238  -6.510
  128   1HB   PRO  17          1HB       PRO  17 -15.133   4.985  -8.099
  129   2HB   PRO  17          2HB       PRO  17 -15.689   4.488  -6.489
  130   1HG   PRO  17          1HG       PRO  17 -14.675   7.072  -7.387
  131   2HG   PRO  17          2HG       PRO  17 -15.510   6.661  -5.885
  132   1HD   PRO  17          1HD       PRO  17 -12.642   6.994  -6.375
  133   2HD   PRO  17          2HD       PRO  17 -13.515   6.897  -4.827
  134    H    SER  18           H        SER  18 -11.553   5.790  -7.280
  135    HA   SER  18           HA       SER  18 -11.218   4.701 -10.057
  136   1HB   SER  18          1HB       SER  18 -11.016   7.427  -8.810
  137   2HB   SER  18          2HB       SER  18 -10.109   7.080 -10.279
  138    HG   SER  18           HG       SER  18 -12.290   7.912 -10.588
  139    H    LEU  19           H        LEU  19  -9.828   3.079  -8.615
  140    HA   LEU  19           HA       LEU  19  -7.027   4.003  -8.875
  141   1HB   LEU  19          1HB       LEU  19  -6.518   3.500  -6.555
  142   2HB   LEU  19          2HB       LEU  19  -7.770   4.708  -6.654
  143    HG   LEU  19           HG       LEU  19  -8.088   2.834  -4.900
  144   1HD1  LEU  19          1HD1      LEU  19 -10.240   3.403  -4.935
  145   2HD1  LEU  19          2HD1      LEU  19 -10.502   2.816  -6.573
  146   3HD1  LEU  19          3HD1      LEU  19  -9.814   4.421  -6.304
  147   1HD2  LEU  19          1HD2      LEU  19  -9.121   0.800  -5.587
  148   2HD2  LEU  19          2HD2      LEU  19  -7.639   0.915  -6.505
  149   3HD2  LEU  19          3HD2      LEU  19  -9.178   1.293  -7.270
  150    H    LYS  20           H        LYS  20  -5.849   1.867  -7.441
  151    HA   LYS  20           HA       LYS  20  -7.096  -0.657  -8.149
  152   1HB   LYS  20          1HB       LYS  20  -6.041   0.482 -10.300
  153   2HB   LYS  20          2HB       LYS  20  -4.536  -0.157  -9.632
  154   1HG   LYS  20          1HG       LYS  20  -5.091  -2.167 -10.515
  155   2HG   LYS  20          2HG       LYS  20  -6.430  -2.230  -9.372
  156   1HD   LYS  20          1HD       LYS  20  -6.804  -0.598 -11.847
  157   2HD   LYS  20          2HD       LYS  20  -6.835  -2.354 -12.016
  158   1HE   LYS  20          1HE       LYS  20  -8.658  -2.547 -10.445
  159   2HE   LYS  20          2HE       LYS  20  -8.506  -0.842  -9.975
  160   1HZ   LYS  20          1HZ       LYS  20 -10.212  -1.563 -11.807
  161   2HZ   LYS  20          2HZ       LYS  20  -8.844  -1.539 -12.815
  162   3HZ   LYS  20          3HZ       LYS  20  -9.321  -0.132 -11.990
  163    H    LEU  21           H        LEU  21  -4.167  -1.711  -8.527
  164    HA   LEU  21           HA       LEU  21  -3.262  -1.320  -5.699
  165   1HB   LEU  21          1HB       LEU  21  -4.664  -3.586  -6.853
  166   2HB   LEU  21          2HB       LEU  21  -3.088  -4.078  -6.233
  167    HG   LEU  21           HG       LEU  21  -3.656  -2.907  -4.076
  168   1HD1  LEU  21          1HD1      LEU  21  -5.382  -1.420  -4.264
  169   2HD1  LEU  21          2HD1      LEU  21  -6.407  -2.840  -4.061
  170   3HD1  LEU  21          3HD1      LEU  21  -6.046  -2.239  -5.677
  171   1HD2  LEU  21          1HD2      LEU  21  -4.760  -4.774  -3.233
  172   2HD2  LEU  21          2HD2      LEU  21  -4.129  -5.413  -4.751
  173   3HD2  LEU  21          3HD2      LEU  21  -5.815  -4.910  -4.639
  174    H    MET  22           H        MET  22  -1.040  -1.275  -5.562
  175    HA   MET  22           HA       MET  22   0.493  -2.038  -7.996
  176   1HB   MET  22          1HB       MET  22   1.984  -0.700  -5.860
  177   2HB   MET  22          2HB       MET  22   1.801  -0.230  -7.538
  178   1HG   MET  22          1HG       MET  22  -0.356   0.822  -7.051
  179   2HG   MET  22          2HG       MET  22  -0.251   0.300  -5.373
  180   1HE   MET  22          1HE       MET  22   0.336   3.933  -4.638
  181   2HE   MET  22          2HE       MET  22  -0.333   2.401  -4.083
  182   3HE   MET  22          3HE       MET  22  -0.882   3.093  -5.608
  183    H    VAL  23           H        VAL  23   2.727  -3.012  -7.460
  184    HA   VAL  23           HA       VAL  23   2.448  -4.907  -5.150
  185    HB   VAL  23           HB       VAL  23   3.173  -5.254  -8.044
  186   1HG1  VAL  23          1HG1      VAL  23   3.918  -7.220  -5.859
  187   2HG1  VAL  23          2HG1      VAL  23   5.074  -6.168  -6.677
  188   3HG1  VAL  23          3HG1      VAL  23   4.206  -7.403  -7.589
  189   1HG2  VAL  23          1HG2      VAL  23   1.147  -6.235  -7.977
  190   2HG2  VAL  23          2HG2      VAL  23   1.077  -6.054  -6.224
  191   3HG2  VAL  23          3HG2      VAL  23   1.834  -7.480  -6.934
  192    H    ASN  24           H        ASN  24   4.586  -5.731  -4.369
  193    HA   ASN  24           HA       ASN  24   6.690  -3.614  -4.610
  194   1HB   ASN  24          1HB       ASN  24   5.693  -5.456  -2.471
  195   2HB   ASN  24          2HB       ASN  24   7.380  -4.942  -2.411
  196   1HD2  ASN  24          1HD2      ASN  24   4.214  -3.344  -3.152
  197   2HD2  ASN  24          2HD2      ASN  24   4.509  -1.986  -2.177
  198    H    VAL  25           H        VAL  25   8.961  -4.621  -4.123
  199    HA   VAL  25           HA       VAL  25   9.840  -6.227  -6.209
  200    HB   VAL  25           HB       VAL  25  11.460  -5.133  -4.914
  201   1HG1  VAL  25          1HG1      VAL  25   9.678  -5.741  -2.747
  202   2HG1  VAL  25          2HG1      VAL  25  11.015  -4.594  -2.782
  203   3HG1  VAL  25          3HG1      VAL  25  11.301  -6.268  -2.310
  204   1HG2  VAL  25          1HG2      VAL  25  11.980  -7.592  -5.454
  205   2HG2  VAL  25          2HG2      VAL  25  11.681  -7.904  -3.744
  206   3HG2  VAL  25          3HG2      VAL  25  12.980  -6.812  -4.227
  207    H    CYS  26           H        CYS  26   9.465  -7.571  -2.877
  208    HA   CYS  26           HA       CYS  26   9.662 -10.279  -3.444
  209   1HB   CYS  26          1HB       CYS  26   8.024 -10.526  -1.518
  210   2HB   CYS  26          2HB       CYS  26   9.353  -9.409  -1.197
  211    H    GLY  27           H        GLY  27   7.019  -8.107  -4.239
  212   1HA   GLY  27          1HA       GLY  27   5.382  -8.479  -5.934
  213   2HA   GLY  27          2HA       GLY  27   5.849 -10.179  -5.978
  214    H    HIS  28           H        HIS  28   4.047  -7.765  -4.074
  215    HA   HIS  28           HA       HIS  28   2.346 -10.019  -3.095
  216   1HB   HIS  28          1HB       HIS  28   3.966  -8.032  -1.606
  217   2HB   HIS  28          2HB       HIS  28   2.342  -8.316  -0.973
  218    HD2  HIS  28           2HD      HIS  28   2.299 -11.577  -1.841
  219    HE1  HIS  28           1HE      HIS  28   5.500 -11.859   0.884
  220    HE2  HIS  28           2HE      HIS  28   3.743 -13.174  -0.378
  221    H    THR  29           H        THR  29   1.749  -6.839  -1.830
  222    HA   THR  29           HA       THR  29  -0.023  -5.975  -3.986
  223    HB   THR  29           HB       THR  29  -1.069  -7.363  -1.509
  224    HG1  THR  29           1HG      THR  29  -1.357  -7.726  -4.301
  225   1HG2  THR  29          1HG2      THR  29  -2.241  -5.153  -2.039
  226   2HG2  THR  29          2HG2      THR  29  -3.271  -6.584  -2.030
  227   3HG2  THR  29          3HG2      THR  29  -2.737  -5.892  -3.562
  228    H    LEU  30           H        LEU  30  -0.303  -3.812  -3.779
  229    HA   LEU  30           HA       LEU  30  -0.305  -2.526  -1.082
  230   1HB   LEU  30          1HB       LEU  30   1.981  -2.721  -2.348
  231   2HB   LEU  30          2HB       LEU  30   1.340  -1.447  -3.364
  232    HG   LEU  30           HG       LEU  30   0.839  -0.312  -1.020
  233   1HD1  LEU  30          1HD1      LEU  30   2.865  -2.439  -0.460
  234   2HD1  LEU  30          2HD1      LEU  30   1.518  -1.896   0.540
  235   3HD1  LEU  30          3HD1      LEU  30   2.963  -0.901   0.389
  236   1HD2  LEU  30          1HD2      LEU  30   2.643   1.031  -1.458
  237   2HD2  LEU  30          2HD2      LEU  30   2.557   0.166  -2.992
  238   3HD2  LEU  30          3HD2      LEU  30   3.716  -0.330  -1.760
  239    H    CYS  31           H        CYS  31  -2.558  -1.982  -1.491
  240    HA   CYS  31           HA       CYS  31  -3.624  -1.016  -3.907
  241   1HB   CYS  31          1HB       CYS  31  -5.486  -0.538  -2.632
  242   2HB   CYS  31          2HB       CYS  31  -4.639  -1.563  -1.508
  243    H    GLU  32           H        GLU  32  -4.646   1.365  -3.692
  244    HA   GLU  32           HA       GLU  32  -2.415   3.166  -4.259
  245   1HB   GLU  32          1HB       GLU  32  -4.504   4.865  -4.093
  246   2HB   GLU  32          2HB       GLU  32  -4.293   3.797  -5.473
  247   1HG   GLU  32          1HG       GLU  32  -5.851   2.859  -3.126
  248   2HG   GLU  32          2HG       GLU  32  -6.609   3.884  -4.341
  249    H    SER  33           H        SER  33  -4.832   2.911  -1.688
  250    HA   SER  33           HA       SER  33  -3.743   4.965   0.011
  251   1HB   SER  33          1HB       SER  33  -5.599   2.602   0.479
  252   2HB   SER  33          2HB       SER  33  -5.355   3.925   1.622
  253    HG   SER  33           HG       SER  33  -6.246   5.346   0.227
  254    H    CYS  34           H        CYS  34  -2.308   1.967  -0.735
  255    HA   CYS  34           HA       CYS  34  -1.430   1.432   2.063
  256   1HB   CYS  34          1HB       CYS  34  -1.058   0.115  -0.631
  257   2HB   CYS  34          2HB       CYS  34   0.091  -0.211   0.667
  258    H    VAL  35           H        VAL  35   0.149   2.069  -1.068
  259    HA   VAL  35           HA       VAL  35   2.754   2.612  -0.407
  260    HB   VAL  35           HB       VAL  35   0.764   3.496  -2.384
  261   1HG1  VAL  35          1HG1      VAL  35   1.336   5.738  -1.959
  262   2HG1  VAL  35          2HG1      VAL  35   2.421   5.281  -3.272
  263   3HG1  VAL  35          3HG1      VAL  35   3.019   5.336  -1.613
  264   1HG2  VAL  35          1HG2      VAL  35   3.530   2.435  -2.289
  265   2HG2  VAL  35          2HG2      VAL  35   3.095   3.377  -3.715
  266   3HG2  VAL  35          3HG2      VAL  35   2.164   1.943  -3.291
  267    H    ASP  36           H        ASP  36   0.083   4.971  -0.176
  268    HA   ASP  36           HA       ASP  36   1.489   7.193   0.800
  269   1HB   ASP  36          1HB       ASP  36  -0.787   7.781   1.749
  270   2HB   ASP  36          2HB       ASP  36  -0.802   7.274   0.062
  271    H    LEU  37           H        LEU  37  -0.183   4.748   2.936
  272    HA   LEU  37           HA       LEU  37   1.133   5.980   5.275
  273   1HB   LEU  37          1HB       LEU  37  -0.904   3.824   4.758
  274   2HB   LEU  37          2HB       LEU  37  -0.222   4.048   6.369
  275    HG   LEU  37           HG       LEU  37  -2.271   5.349   6.200
  276   1HD1  LEU  37          1HD1      LEU  37  -1.434   7.360   7.030
  277   2HD1  LEU  37          2HD1      LEU  37  -0.128   7.422   5.847
  278   3HD1  LEU  37          3HD1      LEU  37  -0.033   6.304   7.209
  279   1HD2  LEU  37          1HD2      LEU  37  -2.624   7.005   4.480
  280   2HD2  LEU  37          2HD2      LEU  37  -2.168   5.504   3.674
  281   3HD2  LEU  37          3HD2      LEU  37  -0.983   6.796   3.868
  282    H    LEU  38           H        LEU  38   1.234   2.892   3.556
  283    HA   LEU  38           HA       LEU  38   2.758   1.260   5.171
  284   1HB   LEU  38          1HB       LEU  38   1.771   0.872   2.885
  285   2HB   LEU  38          2HB       LEU  38   3.140   1.727   2.200
  286    HG   LEU  38           HG       LEU  38   3.754  -0.534   1.997
  287   1HD1  LEU  38          1HD1      LEU  38   5.500   0.840   3.177
  288   2HD1  LEU  38          2HD1      LEU  38   5.610  -0.893   3.482
  289   3HD1  LEU  38          3HD1      LEU  38   4.910   0.174   4.699
  290   1HD2  LEU  38          1HD2      LEU  38   3.489  -2.165   3.869
  291   2HD2  LEU  38          2HD2      LEU  38   1.956  -1.510   3.295
  292   3HD2  LEU  38          3HD2      LEU  38   2.665  -0.912   4.794
  293    H    PHE  39           H        PHE  39   4.223   3.425   2.727
  294    HA   PHE  39           HA       PHE  39   6.862   3.015   3.934
  295   1HB   PHE  39          1HB       PHE  39   5.917   4.606   1.546
  296   2HB   PHE  39          2HB       PHE  39   7.584   4.114   1.871
  297    HD1  PHE  39           1HD      PHE  39   4.209   2.986   0.938
  298    HD2  PHE  39           2HD      PHE  39   8.245   1.740   1.703
  299    HE1  PHE  39           1HE      PHE  39   3.693   0.755   0.023
  300    HE2  PHE  39           2HE      PHE  39   7.728  -0.500   0.763
  301    HZ   PHE  39           HZ       PHE  39   5.439  -0.994  -0.077
  302    H    VAL  40           H        VAL  40   4.478   5.648   3.959
  303    HA   VAL  40           HA       VAL  40   6.323   7.768   4.563
  304    HB   VAL  40           HB       VAL  40   4.306   8.783   5.704
  305   1HG1  VAL  40          1HG1      VAL  40   2.915   8.751   3.576
  306   2HG1  VAL  40          2HG1      VAL  40   4.082   7.594   2.937
  307   3HG1  VAL  40          3HG1      VAL  40   4.603   9.220   3.378
  308   1HG2  VAL  40          1HG2      VAL  40   3.047   6.144   4.907
  309   2HG2  VAL  40          2HG2      VAL  40   2.187   7.542   5.544
  310   3HG2  VAL  40          3HG2      VAL  40   3.349   6.686   6.556
  311    H    ARG  41           H        ARG  41   5.207   5.072   6.446
  312    HA   ARG  41           HA       ARG  41   5.799   6.147   9.074
  313   1HB   ARG  41          1HB       ARG  41   5.921   3.235   8.282
  314   2HB   ARG  41          2HB       ARG  41   5.329   3.937   9.785
  315   1HG   ARG  41          1HG       ARG  41   3.766   5.024   7.658
  316   2HG   ARG  41          2HG       ARG  41   3.848   3.278   7.424
  317   1HD   ARG  41          1HD       ARG  41   3.452   3.590  10.185
  318   2HD   ARG  41          2HD       ARG  41   2.377   4.788   9.435
  319    HE   ARG  41           HE       ARG  41   1.317   2.974   8.200
  320   1HH1  ARG  41          1HH1      ARG  41   1.216   1.800  10.925
  321   2HH1  ARG  41          2HH1      ARG  41   1.909   0.230  10.686
  322   1HH2  ARG  41          1HH2      ARG  41   3.342   1.034   7.633
  323   2HH2  ARG  41          2HH2      ARG  41   3.112  -0.204   8.824
  324    H    GLY  42           H        GLY  42   7.478   3.558   7.275
  325   1HA   GLY  42          1HA       GLY  42  10.077   4.758   8.106
  326   2HA   GLY  42          2HA       GLY  42   9.771   3.044   8.395
  327    H    ALA  43           H        ALA  43   8.205   3.999   5.564
  328    HA   ALA  43           HA       ALA  43   8.635   3.304   3.327
  329   1HB   ALA  43          1HB       ALA  43   9.760   5.520   3.674
  330   2HB   ALA  43          2HB       ALA  43  10.563   4.528   2.454
  331   3HB   ALA  43          3HB       ALA  43  11.247   4.660   4.075
  332    H    GLY  44           H        GLY  44   8.928   1.045   4.732
  333   1HA   GLY  44          1HA       GLY  44  10.768  -0.543   3.314
  334   2HA   GLY  44          2HA       GLY  44  11.575  -0.074   4.810
  335    H    ASN  45           H        ASN  45   8.434  -1.396   3.694
  336    HA   ASN  45           HA       ASN  45   8.575  -3.677   5.453
  337   1HB   ASN  45          1HB       ASN  45   7.514  -1.115   6.440
  338   2HB   ASN  45          2HB       ASN  45   6.446  -2.488   6.721
  339   1HD2  ASN  45          1HD2      ASN  45   7.784  -4.537   7.574
  340   2HD2  ASN  45          2HD2      ASN  45   8.921  -4.195   8.787
  341    H    CYS  46           H        CYS  46   7.863  -4.570   3.399
  342    HA   CYS  46           HA       CYS  46   5.762  -4.003   1.737
  343   1HB   CYS  46          1HB       CYS  46   7.227  -5.970   1.613
  344   2HB   CYS  46          2HB       CYS  46   6.452  -6.654   3.036
  345    HA   PRO  47           HA       PRO  47   2.086  -3.731   4.129
  346   1HB   PRO  47          1HB       PRO  47   0.291  -4.520   2.190
  347   2HB   PRO  47          2HB       PRO  47   1.066  -2.932   2.230
  348   1HG   PRO  47          1HG       PRO  47   1.888  -5.389   0.720
  349   2HG   PRO  47          2HG       PRO  47   1.658  -3.740   0.115
  350   1HD   PRO  47          1HD       PRO  47   4.094  -4.625   0.693
  351   2HD   PRO  47          2HD       PRO  47   3.626  -2.978   1.160
  352    H    GLU  48           H        GLU  48   3.386  -6.668   2.990
  353    HA   GLU  48           HA       GLU  48   1.524  -8.155   4.788
  354   1HB   GLU  48          1HB       GLU  48   0.923  -9.676   3.127
  355   2HB   GLU  48          2HB       GLU  48   1.011  -8.163   2.230
  356   1HG   GLU  48          1HG       GLU  48   2.317  -9.415   0.836
  357   2HG   GLU  48          2HG       GLU  48   3.577  -8.981   1.988
  358    H    CYS  49           H        CYS  49   4.742  -8.181   3.167
  359    HA   CYS  49           HA       CYS  49   5.531 -10.246   5.194
  360   1HB   CYS  49          1HB       CYS  49   6.803 -11.341   3.557
  361   2HB   CYS  49          2HB       CYS  49   5.393 -10.809   2.651
  362    H    GLY  50           H        GLY  50   5.749  -7.109   4.904
  363   1HA   GLY  50          1HA       GLY  50   7.430  -5.458   5.223
  364   2HA   GLY  50          2HA       GLY  50   7.765  -6.500   6.603
  365    H    THR  51           H        THR  51   8.453  -6.458   3.077
  366    HA   THR  51           HA       THR  51  10.999  -7.857   3.537
  367    HB   THR  51           HB       THR  51   9.107  -7.698   1.525
  368    HG1  THR  51           1HG      THR  51  10.860  -8.801   0.313
  369   1HG2  THR  51          1HG2      THR  51   9.806  -5.600   0.624
  370   2HG2  THR  51          2HG2      THR  51  10.466  -6.833  -0.449
  371   3HG2  THR  51          3HG2      THR  51  11.511  -6.040   0.728
  372    HA   PRO  52           HA       PRO  52  13.643  -4.364   3.575
  373   1HB   PRO  52          1HB       PRO  52  15.515  -4.830   1.626
  374   2HB   PRO  52          2HB       PRO  52  15.473  -5.708   3.169
  375   1HG   PRO  52          1HG       PRO  52  14.486  -6.527   0.473
  376   2HG   PRO  52          2HG       PRO  52  15.321  -7.486   1.706
  377   1HD   PRO  52          1HD       PRO  52  12.628  -7.579   1.277
  378   2HD   PRO  52          2HD       PRO  52  13.377  -7.915   2.853
  379    H    LEU  53           H        LEU  53  11.929  -2.898   2.783
  380    HA   LEU  53           HA       LEU  53  12.218  -2.110  -0.092
  381   1HB   LEU  53          1HB       LEU  53  10.029  -1.571   1.943
  382   2HB   LEU  53          2HB       LEU  53   9.968  -1.158   0.230
  383    HG   LEU  53           HG       LEU  53  10.208  -3.957   1.377
  384   1HD1  LEU  53          1HD1      LEU  53   7.943  -2.307   0.304
  385   2HD1  LEU  53          2HD1      LEU  53   7.964  -3.414   1.676
  386   3HD1  LEU  53          3HD1      LEU  53   7.934  -4.049   0.032
  387   1HD2  LEU  53          1HD2      LEU  53  10.612  -2.804  -1.310
  388   2HD2  LEU  53          2HD2      LEU  53   9.522  -4.190  -1.271
  389   3HD2  LEU  53          3HD2      LEU  53  11.166  -4.344  -0.652
  390    H    ARG  54           H        ARG  54  14.308  -1.058   1.035
  391    HA   ARG  54           HA       ARG  54  13.750   1.431   2.505
  392   1HB   ARG  54          1HB       ARG  54  15.735  -0.260   2.689
  393   2HB   ARG  54          2HB       ARG  54  16.378   0.598   1.287
  394   1HG   ARG  54          1HG       ARG  54  17.285   1.641   3.273
  395   2HG   ARG  54          2HG       ARG  54  16.095   2.746   2.584
  396   1HD   ARG  54          1HD       ARG  54  15.177   2.763   4.678
  397   2HD   ARG  54          2HD       ARG  54  14.573   1.141   4.281
  398    HE   ARG  54           HE       ARG  54  17.288   1.559   5.489
  399   1HH1  ARG  54          1HH1      ARG  54  14.340   1.022   6.743
  400   2HH1  ARG  54          2HH1      ARG  54  14.630  -0.581   7.331
  401   1HH2  ARG  54          1HH2      ARG  54  17.624  -0.952   5.623
  402   2HH2  ARG  54          2HH2      ARG  54  16.489  -1.699   6.697
  403    H    LYS  55           H        LYS  55  12.523   1.378  -0.091
  404    HA   LYS  55           HA       LYS  55  13.656   3.828  -1.225
  405   1HB   LYS  55          1HB       LYS  55  14.348   2.870  -3.317
  406   2HB   LYS  55          2HB       LYS  55  15.055   1.858  -2.057
  407   1HG   LYS  55          1HG       LYS  55  12.430   1.262  -3.457
  408   2HG   LYS  55          2HG       LYS  55  13.978   0.538  -3.898
  409   1HD   LYS  55          1HD       LYS  55  14.052  -0.043  -1.307
  410   2HD   LYS  55          2HD       LYS  55  12.301   0.105  -1.453
  411   1HE   LYS  55          1HE       LYS  55  12.147  -1.865  -2.593
  412   2HE   LYS  55          2HE       LYS  55  13.524  -1.454  -3.634
  413   1HZ   LYS  55          1HZ       LYS  55  15.015  -2.278  -2.123
  414   2HZ   LYS  55          2HZ       LYS  55  13.709  -3.314  -1.795
  415   3HZ   LYS  55          3HZ       LYS  55  14.014  -1.979  -0.788
  416    H    SER  56           H        SER  56  11.045   2.504  -0.226
  417    HA   SER  56           HA       SER  56   8.765   2.392  -0.890
  418   1HB   SER  56          1HB       SER  56   8.561   4.622  -2.502
  419   2HB   SER  56          2HB       SER  56   8.579   4.658  -0.741
  420    HG   SER  56           HG       SER  56  10.724   5.055  -2.522
  421    H    ASN  57           H        ASN  57   8.745   0.501  -2.265
  422    HA   ASN  57           HA       ASN  57   8.972   1.094  -5.198
  423   1HB   ASN  57          1HB       ASN  57  10.021  -0.987  -5.453
  424   2HB   ASN  57          2HB       ASN  57  10.607  -0.496  -3.866
  425   1HD2  ASN  57          1HD2      ASN  57   9.113  -1.304  -1.970
  426   2HD2  ASN  57          2HD2      ASN  57   8.482  -2.870  -2.131
  427    H    PHE  58           H        PHE  58   7.016   0.973  -6.238
  428    HA   PHE  58           HA       PHE  58   5.066  -1.109  -5.394
  429   1HB   PHE  58          1HB       PHE  58   3.816   1.505  -5.933
  430   2HB   PHE  58          2HB       PHE  58   3.480   0.356  -4.643
  431    HD1  PHE  58           1HD      PHE  58   5.189   0.200  -2.718
  432    HD2  PHE  58           2HD      PHE  58   4.969   3.500  -5.452
  433    HE1  PHE  58           1HE      PHE  58   6.350   1.638  -1.080
  434    HE2  PHE  58           2HE      PHE  58   6.146   4.938  -3.810
  435    HZ   PHE  58           HZ       PHE  58   6.835   4.002  -1.618
  436    H    ARG  59           H        ARG  59   4.672  -2.160  -7.292
  437    HA   ARG  59           HA       ARG  59   4.785  -0.657  -9.857
  438   1HB   ARG  59          1HB       ARG  59   3.992  -3.303 -10.377
  439   2HB   ARG  59          2HB       ARG  59   5.622  -2.662 -10.520
  440   1HG   ARG  59          1HG       ARG  59   6.102  -3.298  -8.194
  441   2HG   ARG  59          2HG       ARG  59   4.455  -3.898  -8.007
  442   1HD   ARG  59          1HD       ARG  59   5.871  -5.810  -8.498
  443   2HD   ARG  59          2HD       ARG  59   4.940  -5.469  -9.970
  444    HE   ARG  59           HE       ARG  59   6.939  -4.578 -10.966
  445   1HH1  ARG  59          1HH2      ARG  59   7.294  -4.632  -7.573
  446   2HH1  ARG  59          2HH2      ARG  59   9.014  -4.820  -7.606
  447   1HH2  ARG  59          1HH1      ARG  59   9.180  -5.144 -11.054
  448   2HH2  ARG  59          2HH1      ARG  59  10.083  -5.111  -9.577
  449    H    VAL  60           H        VAL  60   2.916   0.606  -9.731
  450    HA   VAL  60           HA       VAL  60   0.338  -0.585  -9.002
  451    HB   VAL  60           HB       VAL  60   0.898   1.621  -8.244
  452   1HG1  VAL  60          1HG1      VAL  60   1.806   1.902 -11.036
  453   2HG1  VAL  60          2HG1      VAL  60   2.398   2.695  -9.576
  454   3HG1  VAL  60          3HG1      VAL  60   0.966   3.315 -10.396
  455   1HG2  VAL  60          1HG2      VAL  60  -0.988   2.231 -10.495
  456   2HG2  VAL  60          2HG2      VAL  60  -1.091   2.697  -8.798
  457   3HG2  VAL  60          3HG2      VAL  60  -1.464   1.043  -9.282
  458    H    GLN  61           H        GLN  61  -1.261  -1.151 -10.321
  459    HA   GLN  61           HA       GLN  61  -1.043  -0.559 -13.249
  460   1HB   GLN  61          1HB       GLN  61  -2.207  -2.864 -13.417
  461   2HB   GLN  61          2HB       GLN  61  -0.504  -2.873 -12.962
  462   1HG   GLN  61          1HG       GLN  61  -0.949  -3.635 -10.863
  463   2HG   GLN  61          2HG       GLN  61  -2.377  -2.611 -10.694
  464   1HE2  GLN  61          1HE2      GLN  61  -4.016  -4.107 -10.172
  465   2HE2  GLN  61          2HE2      GLN  61  -4.382  -5.483 -11.096
  466    H    LEU  62           H        LEU  62  -2.864   0.528 -13.941
  467    HA   LEU  62           HA       LEU  62  -5.288   0.423 -12.178
  468   1HB   LEU  62          1HB       LEU  62  -3.619   2.533 -12.963
  469   2HB   LEU  62          2HB       LEU  62  -5.057   2.712 -13.966
  470    HG   LEU  62           HG       LEU  62  -5.417   3.942 -11.914
  471   1HD1  LEU  62          1HD1      LEU  62  -7.305   2.484 -10.890
  472   2HD1  LEU  62          2HD1      LEU  62  -6.900   1.329 -12.157
  473   3HD1  LEU  62          3HD1      LEU  62  -7.445   2.950 -12.584
  474   1HD2  LEU  62          1HD2      LEU  62  -3.943   3.097 -10.317
  475   2HD2  LEU  62          2HD2      LEU  62  -4.348   1.420 -10.682
  476   3HD2  LEU  62          3HD2      LEU  62  -5.467   2.415  -9.753
  477    H    PHE  63           H        PHE  63  -4.529  -1.257 -14.621
  478    HA   PHE  63           HA       PHE  63  -7.058  -0.762 -16.130
  479   1HB   PHE  63          1HB       PHE  63  -4.964   0.311 -17.160
  480   2HB   PHE  63          2HB       PHE  63  -4.397  -1.333 -17.455
  481    HD1  PHE  63           1HD      PHE  63  -6.835   1.244 -18.391
  482    HD2  PHE  63           2HD      PHE  63  -5.598  -2.822 -19.009
  483    HE1  PHE  63           1HE      PHE  63  -8.237   1.129 -20.433
  484    HE2  PHE  63           2HE      PHE  63  -7.001  -2.939 -21.052
  485    HZ   PHE  63           HZ       PHE  63  -8.321  -0.963 -21.764
  486    H    GLU  64           H        GLU  64  -7.726  -2.716 -14.896
  487    HA   GLU  64           HA       GLU  64  -6.295  -5.239 -15.446
  488   1HB   GLU  64          1HB       GLU  64  -7.483  -4.428 -13.275
  489   2HB   GLU  64          2HB       GLU  64  -8.973  -4.896 -14.095
  490   1HG   GLU  64          1HG       GLU  64  -8.413  -7.155 -14.101
  491   2HG   GLU  64          2HG       GLU  64  -6.680  -6.830 -14.032
  492    H    ASP  65           H        ASP  65  -8.098  -3.448 -17.399
  493    HA   ASP  65           HA       ASP  65  -9.720  -3.860 -19.088
  494   1HB   ASP  65          1HB       ASP  65  -8.885  -5.564 -20.539
  495   2HB   ASP  65          2HB       ASP  65  -7.475  -4.965 -19.666
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -10.417  -7.626  -7.959
    2   2H    MET   1          2HT       MET   1  -9.821  -7.078  -9.452
    3   3H    MET   1          3HT       MET   1 -11.468  -7.458  -9.279
    4    HA   MET   1           HA       MET   1 -10.018  -5.056  -8.460
    5   1HB   MET   1          1HB       MET   1 -12.872  -5.685  -9.280
    6   2HB   MET   1          2HB       MET   1 -12.113  -4.092  -9.259
    7   1HG   MET   1          1HG       MET   1 -11.473  -4.458 -11.390
    8   2HG   MET   1          2HG       MET   1 -10.398  -5.719 -10.787
    9   1HE   MET   1          1HE       MET   1 -12.215  -5.055 -13.435
   10   2HE   MET   1          2HE       MET   1 -13.765  -4.889 -12.613
   11   3HE   MET   1          3HE       MET   1 -13.514  -6.215 -13.747
   12    H    ASP   2           H        ASP   2 -10.139  -4.283  -6.390
   13    HA   ASP   2           HA       ASP   2 -10.812  -4.076  -4.134
   14   1HB   ASP   2          1HB       ASP   2 -13.493  -4.915  -5.278
   15   2HB   ASP   2          2HB       ASP   2 -13.203  -3.883  -3.876
   16    H    ASP   3           H        ASP   3 -12.689  -5.531  -2.647
   17    HA   ASP   3           HA       ASP   3 -12.887  -7.573  -1.472
   18   1HB   ASP   3          1HB       ASP   3 -13.151  -7.976  -4.286
   19   2HB   ASP   3          2HB       ASP   3 -12.267  -9.355  -3.632
   20    H    GLN   4           H        GLN   4 -11.178  -7.888  -0.067
   21    HA   GLN   4           HA       GLN   4  -9.110  -8.732   0.717
   22   1HB   GLN   4          1HB       GLN   4  -9.985 -10.572  -0.892
   23   2HB   GLN   4          2HB       GLN   4  -8.806  -9.933  -2.038
   24   1HG   GLN   4          1HG       GLN   4  -7.201 -10.135   0.094
   25   2HG   GLN   4          2HG       GLN   4  -8.367 -11.383   0.537
   26   1HE2  GLN   4          1HE2      GLN   4  -8.861 -11.843  -2.482
   27   2HE2  GLN   4          2HE2      GLN   4  -7.538 -12.788  -2.970
   28    H    GLY   5           H        GLY   5  -9.467  -6.356  -1.425
   29   1HA   GLY   5          1HA       GLY   5  -6.843  -6.124  -2.618
   30   2HA   GLY   5          2HA       GLY   5  -8.034  -4.829  -2.493
   31    H    CYS   6           H        CYS   6  -7.180  -3.146  -1.382
   32    HA   CYS   6           HA       CYS   6  -4.914  -2.849   0.056
   33   1HB   CYS   6          1HB       CYS   6  -6.327  -0.978  -0.241
   34   2HB   CYS   6          2HB       CYS   6  -7.696  -1.773   0.504
   35    HA   PRO   7           HA       PRO   7  -5.541  -5.523   3.607
   36   1HB   PRO   7          1HB       PRO   7  -2.887  -5.706   4.226
   37   2HB   PRO   7          2HB       PRO   7  -3.637  -6.645   2.922
   38   1HG   PRO   7          1HG       PRO   7  -1.820  -4.344   2.786
   39   2HG   PRO   7          2HG       PRO   7  -2.167  -5.577   1.570
   40   1HD   PRO   7          1HD       PRO   7  -3.191  -2.902   1.736
   41   2HD   PRO   7          2HD       PRO   7  -3.538  -4.134   0.507
   42    H    ARG   8           H        ARG   8  -3.741  -2.472   3.463
   43    HA   ARG   8           HA       ARG   8  -3.641  -2.191   6.405
   44   1HB   ARG   8          1HB       ARG   8  -2.001  -1.464   4.383
   45   2HB   ARG   8          2HB       ARG   8  -2.925   0.030   4.542
   46   1HG   ARG   8          1HG       ARG   8  -2.003   0.527   6.561
   47   2HG   ARG   8          2HG       ARG   8  -2.019  -1.156   7.094
   48   1HD   ARG   8          1HD       ARG   8  -0.160  -0.657   4.859
   49   2HD   ARG   8          2HD       ARG   8   0.253   0.225   6.345
   50    HE   ARG   8           HE       ARG   8   0.515  -2.602   6.001
   51   1HH1  ARG   8          1HH1      ARG   8   0.850  -0.278   8.297
   52   2HH1  ARG   8          2HH1      ARG   8   0.368  -1.245   9.650
   53   1HH2  ARG   8          1HH2      ARG   8  -0.800  -3.864   7.700
   54   2HH2  ARG   8          2HH2      ARG   8  -0.566  -3.275   9.312
   55    H    CYS   9           H        CYS   9  -4.764   0.088   3.870
   56    HA   CYS   9           HA       CYS   9  -6.794   1.126   5.801
   57   1HB   CYS   9          1HB       CYS   9  -6.997   2.595   3.422
   58   2HB   CYS   9          2HB       CYS   9  -6.146   3.081   4.875
   59    H    LYS  10           H        LYS  10  -7.429  -1.427   4.833
   60    HA   LYS  10           HA       LYS  10  -8.757  -2.038   2.599
   61   1HB   LYS  10          1HB       LYS  10 -10.219  -3.403   3.922
   62   2HB   LYS  10          2HB       LYS  10  -8.712  -3.248   4.823
   63   1HG   LYS  10          1HG       LYS  10  -9.960  -1.145   5.865
   64   2HG   LYS  10          2HG       LYS  10 -11.396  -2.049   5.380
   65   1HD   LYS  10          1HD       LYS  10  -9.440  -3.785   6.655
   66   2HD   LYS  10          2HD       LYS  10  -9.877  -2.440   7.710
   67   1HE   LYS  10          1HE       LYS  10 -11.911  -3.365   8.116
   68   2HE   LYS  10          2HE       LYS  10 -12.230  -3.530   6.377
   69   1HZ   LYS  10          1HZ       LYS  10 -12.074  -5.707   7.414
   70   2HZ   LYS  10          2HZ       LYS  10 -10.546  -5.330   8.052
   71   3HZ   LYS  10          3HZ       LYS  10 -10.755  -5.478   6.373
   72    H    THR  11           H        THR  11  -9.447  -0.029   1.486
   73    HA   THR  11           HA       THR  11 -12.296   0.497   1.896
   74    HB   THR  11           HB       THR  11 -10.868   1.728   3.705
   75    HG1  THR  11           1HG      THR  11 -12.514   3.027   3.836
   76   1HG2  THR  11          1HG2      THR  11 -10.398   3.513   1.291
   77   2HG2  THR  11          2HG2      THR  11  -9.156   2.603   2.156
   78   3HG2  THR  11          3HG2      THR  11 -10.004   3.924   2.962
   79    H    THR  12           H        THR  12  -9.289   1.763   0.553
   80    HA   THR  12           HA       THR  12 -10.102   3.447  -1.450
   81    HB   THR  12           HB       THR  12  -7.951   2.557  -2.514
   82    HG1  THR  12           1HG      THR  12  -7.043   0.875  -1.603
   83   1HG2  THR  12          1HG2      THR  12  -7.275   3.009   0.274
   84   2HG2  THR  12          2HG2      THR  12  -8.536   4.110  -0.283
   85   3HG2  THR  12          3HG2      THR  12  -6.987   4.047  -1.123
   86    H    LYS  13           H        LYS  13  -8.727   0.713  -3.022
   87    HA   LYS  13           HA       LYS  13 -10.182   0.666  -5.299
   88   1HB   LYS  13          1HB       LYS  13  -9.309  -1.509  -5.555
   89   2HB   LYS  13          2HB       LYS  13  -8.256  -0.784  -4.353
   90   1HG   LYS  13          1HG       LYS  13 -10.698  -2.366  -3.556
   91   2HG   LYS  13          2HG       LYS  13  -9.141  -3.139  -3.839
   92   1HD   LYS  13          1HD       LYS  13  -8.102  -1.736  -2.139
   93   2HD   LYS  13          2HD       LYS  13  -9.612  -0.855  -1.902
   94   1HE   LYS  13          1HE       LYS  13 -10.579  -3.301  -1.464
   95   2HE   LYS  13          2HE       LYS  13  -8.893  -3.639  -1.036
   96   1HZ   LYS  13          1HZ       LYS  13  -9.410  -1.184   0.055
   97   2HZ   LYS  13          2HZ       LYS  13  -9.365  -2.654   0.904
   98   3HZ   LYS  13          3HZ       LYS  13 -10.845  -2.042   0.336
   99    H    TYR  14           H        TYR  14 -11.360  -0.450  -2.164
  100    HA   TYR  14           HA       TYR  14 -13.742  -1.738  -3.229
  101   1HB   TYR  14          1HB       TYR  14 -12.508  -2.126  -1.000
  102   2HB   TYR  14          2HB       TYR  14 -13.297  -0.659  -0.434
  103    HD1  TYR  14           1HD      TYR  14 -13.554  -4.053  -0.253
  104    HD2  TYR  14           2HD      TYR  14 -15.956  -0.670  -1.368
  105    HE1  TYR  14           1HE      TYR  14 -15.611  -5.360   0.209
  106    HE2  TYR  14           2HE      TYR  14 -18.012  -1.978  -0.905
  107    HH   TYR  14           HH       TYR  14 -18.555  -4.603  -0.891
  108    H    ARG  15           H        ARG  15 -13.036   1.386  -1.650
  109    HA   ARG  15           HA       ARG  15 -15.727   2.418  -2.346
  110   1HB   ARG  15          1HB       ARG  15 -13.419   3.167  -0.624
  111   2HB   ARG  15          2HB       ARG  15 -14.368   4.500  -1.258
  112   1HG   ARG  15          1HG       ARG  15 -15.873   4.098   0.376
  113   2HG   ARG  15          2HG       ARG  15 -16.237   2.563  -0.415
  114   1HD   ARG  15          1HD       ARG  15 -13.962   2.936   1.558
  115   2HD   ARG  15          2HD       ARG  15 -15.557   2.303   2.001
  116    HE   ARG  15           HE       ARG  15 -13.718   1.009   0.003
  117   1HH1  ARG  15          1HH2      ARG  15 -16.897   0.751   0.667
  118   2HH1  ARG  15          2HH2      ARG  15 -16.862  -0.857   1.312
  119   1HH2  ARG  15          1HH1      ARG  15 -13.403  -0.977   1.540
  120   2HH2  ARG  15          2HH1      ARG  15 -14.885  -1.834   1.807
  121    H    ASN  16           H        ASN  16 -12.350   3.464  -2.810
  122    HA   ASN  16           HA       ASN  16 -13.000   5.264  -5.007
  123   1HB   ASN  16          1HB       ASN  16 -10.791   4.513  -3.262
  124   2HB   ASN  16          2HB       ASN  16 -10.247   4.688  -4.935
  125   1HD2  ASN  16          1HD2      ASN  16  -9.247   6.596  -3.286
  126   2HD2  ASN  16          2HD2      ASN  16 -10.053   8.076  -3.476
  127    HA   PRO  17           HA       PRO  17 -12.566   1.832  -7.867
  128   1HB   PRO  17          1HB       PRO  17 -14.150   2.929  -9.814
  129   2HB   PRO  17          2HB       PRO  17 -14.803   2.113  -8.381
  130   1HG   PRO  17          1HG       PRO  17 -14.769   4.960  -9.067
  131   2HG   PRO  17          2HG       PRO  17 -15.767   4.099  -7.890
  132   1HD   PRO  17          1HD       PRO  17 -13.393   5.683  -7.431
  133   2HD   PRO  17          2HD       PRO  17 -14.460   4.912  -6.237
  134    H    SER  18           H        SER  18 -11.738   5.182  -8.280
  135    HA   SER  18           HA       SER  18 -10.554   4.837 -10.951
  136   1HB   SER  18          1HB       SER  18 -11.598   6.908  -9.500
  137   2HB   SER  18          2HB       SER  18  -9.870   7.180  -9.283
  138    HG   SER  18           HG       SER  18  -9.616   7.538 -11.360
  139    H    LEU  19           H        LEU  19  -9.428   4.960  -7.593
  140    HA   LEU  19           HA       LEU  19  -6.614   5.132  -8.269
  141   1HB   LEU  19          1HB       LEU  19  -6.355   5.232  -5.988
  142   2HB   LEU  19          2HB       LEU  19  -8.055   5.659  -6.107
  143    HG   LEU  19           HG       LEU  19  -6.834   3.049  -5.222
  144   1HD1  LEU  19          1HD1      LEU  19  -8.966   3.627  -3.639
  145   2HD1  LEU  19          2HD1      LEU  19  -8.500   5.243  -4.158
  146   3HD1  LEU  19          3HD1      LEU  19  -7.337   4.223  -3.325
  147   1HD2  LEU  19          1HD2      LEU  19  -9.456   3.477  -6.591
  148   2HD2  LEU  19          2HD2      LEU  19  -9.444   2.455  -5.158
  149   3HD2  LEU  19          3HD2      LEU  19  -8.441   2.037  -6.541
  150    H    LYS  20           H        LYS  20  -5.381   3.082  -6.791
  151    HA   LYS  20           HA       LYS  20  -6.460   0.474  -7.526
  152   1HB   LYS  20          1HB       LYS  20  -4.432   0.151  -9.169
  153   2HB   LYS  20          2HB       LYS  20  -5.877   0.983  -9.744
  154   1HG   LYS  20          1HG       LYS  20  -4.854   3.129  -9.475
  155   2HG   LYS  20          2HG       LYS  20  -3.521   2.454  -8.538
  156   1HD   LYS  20          1HD       LYS  20  -2.356   2.048 -10.424
  157   2HD   LYS  20          2HD       LYS  20  -3.696   1.112 -11.087
  158   1HE   LYS  20          1HE       LYS  20  -3.210   3.019 -12.568
  159   2HE   LYS  20          2HE       LYS  20  -4.781   3.279 -11.783
  160   1HZ   LYS  20          1HZ       LYS  20  -2.138   4.398 -11.005
  161   2HZ   LYS  20          2HZ       LYS  20  -3.498   4.451  -9.988
  162   3HZ   LYS  20          3HZ       LYS  20  -3.520   5.258 -11.483
  163    H    LEU  21           H        LEU  21  -4.485  -1.196  -7.448
  164    HA   LEU  21           HA       LEU  21  -2.978  -0.489  -4.969
  165   1HB   LEU  21          1HB       LEU  21  -4.034  -3.036  -6.201
  166   2HB   LEU  21          2HB       LEU  21  -2.872  -3.074  -4.880
  167    HG   LEU  21           HG       LEU  21  -4.404  -2.304  -3.328
  168   1HD1  LEU  21          1HD1      LEU  21  -4.870  -0.151  -4.471
  169   2HD1  LEU  21          2HD1      LEU  21  -6.354  -0.877  -3.858
  170   3HD1  LEU  21          3HD1      LEU  21  -5.966  -0.980  -5.575
  171   1HD2  LEU  21          1HD2      LEU  21  -6.795  -3.065  -4.605
  172   2HD2  LEU  21          2HD2      LEU  21  -5.769  -4.068  -3.577
  173   3HD2  LEU  21          3HD2      LEU  21  -5.529  -4.061  -5.325
  174    H    MET  22           H        MET  22  -0.728  -0.995  -4.827
  175    HA   MET  22           HA       MET  22   0.564  -1.459  -7.476
  176   1HB   MET  22          1HB       MET  22   2.252  -0.330  -5.401
  177   2HB   MET  22          2HB       MET  22   1.878   0.325  -6.970
  178   1HG   MET  22          1HG       MET  22  -0.238   1.243  -6.100
  179   2HG   MET  22          2HG       MET  22   0.145   0.593  -4.507
  180   1HE   MET  22          1HE       MET  22  -0.661   3.174  -5.656
  181   2HE   MET  22          2HE       MET  22   0.564   4.299  -6.235
  182   3HE   MET  22          3HE       MET  22   0.106   4.303  -4.532
  183    H    VAL  23           H        VAL  23   2.185  -2.975  -7.639
  184    HA   VAL  23           HA       VAL  23   2.448  -4.871  -5.346
  185    HB   VAL  23           HB       VAL  23   2.559  -4.960  -8.331
  186   1HG1  VAL  23          1HG1      VAL  23   4.769  -5.878  -7.596
  187   2HG1  VAL  23          2HG1      VAL  23   3.738  -7.095  -8.349
  188   3HG1  VAL  23          3HG1      VAL  23   3.910  -7.048  -6.595
  189   1HG2  VAL  23          1HG2      VAL  23   1.639  -7.352  -7.073
  190   2HG2  VAL  23          2HG2      VAL  23   0.689  -6.141  -7.937
  191   3HG2  VAL  23          3HG2      VAL  23   0.952  -5.981  -6.200
  192    H    ASN  24           H        ASN  24   4.778  -5.940  -5.360
  193    HA   ASN  24           HA       ASN  24   6.851  -3.846  -5.894
  194   1HB   ASN  24          1HB       ASN  24   6.748  -5.500  -3.374
  195   2HB   ASN  24          2HB       ASN  24   7.648  -4.015  -3.673
  196   1HD2  ASN  24          1HD2      ASN  24   5.462  -4.703  -1.613
  197   2HD2  ASN  24          2HD2      ASN  24   4.315  -3.467  -1.801
  198    H    VAL  25           H        VAL  25   9.104  -4.870  -5.418
  199    HA   VAL  25           HA       VAL  25   9.903  -6.718  -7.239
  200    HB   VAL  25           HB       VAL  25  11.550  -5.681  -5.940
  201   1HG1  VAL  25          1HG1      VAL  25  11.007  -4.966  -3.882
  202   2HG1  VAL  25          2HG1      VAL  25  11.250  -6.607  -3.286
  203   3HG1  VAL  25          3HG1      VAL  25   9.648  -6.086  -3.805
  204   1HG2  VAL  25          1HG2      VAL  25  12.916  -7.423  -5.111
  205   2HG2  VAL  25          2HG2      VAL  25  11.890  -8.213  -6.309
  206   3HG2  VAL  25          3HG2      VAL  25  11.529  -8.379  -4.591
  207    H    CYS  26           H        CYS  26   9.426  -7.924  -3.869
  208    HA   CYS  26           HA       CYS  26   9.382 -10.653  -4.456
  209   1HB   CYS  26          1HB       CYS  26   7.792 -10.667  -2.372
  210   2HB   CYS  26          2HB       CYS  26   9.413 -10.010  -2.183
  211    H    GLY  27           H        GLY  27   6.974  -8.257  -5.189
  212   1HA   GLY  27          1HA       GLY  27   5.128  -8.506  -6.652
  213   2HA   GLY  27          2HA       GLY  27   5.428 -10.243  -6.687
  214    H    HIS  28           H        HIS  28   3.934  -7.629  -4.829
  215    HA   HIS  28           HA       HIS  28   2.164  -9.687  -3.604
  216   1HB   HIS  28          1HB       HIS  28   4.047  -7.779  -2.303
  217   2HB   HIS  28          2HB       HIS  28   2.496  -8.049  -1.500
  218    HD2  HIS  28           2HD      HIS  28   2.170 -11.241  -2.282
  219    HE1  HIS  28           1HE      HIS  28   5.815 -11.753  -0.233
  220    HE2  HIS  28           2HE      HIS  28   3.771 -12.941  -1.135
  221    H    THR  29           H        THR  29   1.746  -6.598  -2.208
  222    HA   THR  29           HA       THR  29   0.251  -5.253  -4.235
  223    HB   THR  29           HB       THR  29  -1.005  -7.540  -2.820
  224    HG1  THR  29           1HG      THR  29  -1.125  -6.221  -5.283
  225   1HG2  THR  29          1HG2      THR  29  -2.385  -5.958  -1.744
  226   2HG2  THR  29          2HG2      THR  29  -3.296  -6.372  -3.196
  227   3HG2  THR  29          3HG2      THR  29  -2.374  -4.870  -3.132
  228    H    LEU  30           H        LEU  30   0.137  -3.225  -3.461
  229    HA   LEU  30           HA       LEU  30  -0.534  -2.761  -0.579
  230   1HB   LEU  30          1HB       LEU  30   1.951  -2.711  -1.142
  231   2HB   LEU  30          2HB       LEU  30   1.619  -1.310  -2.143
  232    HG   LEU  30           HG       LEU  30   0.571  -0.285  -0.072
  233   1HD1  LEU  30          1HD1      LEU  30   0.322  -2.380   1.187
  234   2HD1  LEU  30          2HD1      LEU  30   1.241  -1.173   2.084
  235   3HD1  LEU  30          3HD1      LEU  30   2.077  -2.503   1.287
  236   1HD2  LEU  30          1HD2      LEU  30   2.645   0.588   0.664
  237   2HD2  LEU  30          2HD2      LEU  30   2.931   0.117  -1.011
  238   3HD2  LEU  30          3HD2      LEU  30   3.485  -0.917   0.303
  239    H    CYS  31           H        CYS  31  -2.625  -2.038  -1.211
  240    HA   CYS  31           HA       CYS  31  -3.508  -0.619  -3.346
  241   1HB   CYS  31          1HB       CYS  31  -5.360  -0.385  -2.090
  242   2HB   CYS  31          2HB       CYS  31  -4.458  -1.202  -0.837
  243    H    GLU  32           H        GLU  32  -3.765   1.541  -3.961
  244    HA   GLU  32           HA       GLU  32  -1.561   3.250  -3.896
  245   1HB   GLU  32          1HB       GLU  32  -3.112   4.921  -4.699
  246   2HB   GLU  32          2HB       GLU  32  -3.665   3.358  -5.296
  247   1HG   GLU  32          1HG       GLU  32  -4.736   4.774  -2.835
  248   2HG   GLU  32          2HG       GLU  32  -5.540   4.705  -4.402
  249    H    SER  33           H        SER  33  -4.295   3.195  -1.586
  250    HA   SER  33           HA       SER  33  -3.339   5.397   0.011
  251   1HB   SER  33          1HB       SER  33  -5.480   3.261   0.244
  252   2HB   SER  33          2HB       SER  33  -5.071   4.256   1.642
  253    HG   SER  33           HG       SER  33  -5.474   6.105   0.421
  254    H    CYS  34           H        CYS  34  -2.335   2.074  -0.181
  255    HA   CYS  34           HA       CYS  34  -1.464   1.968   2.642
  256   1HB   CYS  34          1HB       CYS  34  -1.265   0.184   0.208
  257   2HB   CYS  34          2HB       CYS  34  -0.217  -0.086   1.600
  258    H    VAL  35           H        VAL  35   0.064   2.067  -0.588
  259    HA   VAL  35           HA       VAL  35   2.749   2.316   0.062
  260    HB   VAL  35           HB       VAL  35   0.930   3.019  -2.101
  261   1HG1  VAL  35          1HG1      VAL  35   1.534   5.290  -2.017
  262   2HG1  VAL  35          2HG1      VAL  35   2.701   4.618  -3.155
  263   3HG1  VAL  35          3HG1      VAL  35   3.176   4.930  -1.486
  264   1HG2  VAL  35          1HG2      VAL  35   2.295   1.428  -2.900
  265   2HG2  VAL  35          2HG2      VAL  35   3.489   1.728  -1.645
  266   3HG2  VAL  35          3HG2      VAL  35   3.502   2.696  -3.116
  267    H    ASP  36           H        ASP  36   0.167   4.606   0.679
  268    HA   ASP  36           HA       ASP  36   1.964   6.841   1.278
  269   1HB   ASP  36          1HB       ASP  36   0.007   7.974   1.072
  270   2HB   ASP  36          2HB       ASP  36  -0.731   6.439   0.637
  271    H    LEU  37           H        LEU  37  -0.298   4.930   3.358
  272    HA   LEU  37           HA       LEU  37   0.878   5.850   5.815
  273   1HB   LEU  37          1HB       LEU  37  -1.259   4.221   4.901
  274   2HB   LEU  37          2HB       LEU  37  -0.316   3.234   6.018
  275    HG   LEU  37           HG       LEU  37  -1.968   4.433   7.313
  276   1HD1  LEU  37          1HD1      LEU  37  -0.003   6.280   8.182
  277   2HD1  LEU  37          2HD1      LEU  37   0.867   4.860   7.601
  278   3HD1  LEU  37          3HD1      LEU  37  -0.356   4.690   8.860
  279   1HD2  LEU  37          1HD2      LEU  37  -1.105   6.680   5.551
  280   2HD2  LEU  37          2HD2      LEU  37  -1.572   7.090   7.201
  281   3HD2  LEU  37          3HD2      LEU  37  -2.716   6.270   6.138
  282    H    LEU  38           H        LEU  38   1.440   3.040   3.779
  283    HA   LEU  38           HA       LEU  38   3.130   1.499   5.419
  284   1HB   LEU  38          1HB       LEU  38   2.092   1.294   2.976
  285   2HB   LEU  38          2HB       LEU  38   3.686   1.873   2.496
  286    HG   LEU  38           HG       LEU  38   3.795  -0.523   2.499
  287   1HD1  LEU  38          1HD1      LEU  38   5.561   0.957   3.826
  288   2HD1  LEU  38          2HD1      LEU  38   5.667  -0.803   3.839
  289   3HD1  LEU  38          3HD1      LEU  38   4.947   0.048   5.206
  290   1HD2  LEU  38          1HD2      LEU  38   3.101  -0.828   5.371
  291   2HD2  LEU  38          2HD2      LEU  38   2.720  -1.876   4.004
  292   3HD2  LEU  38          3HD2      LEU  38   1.757  -0.428   4.301
  293    H    PHE  39           H        PHE  39   4.070   4.080   3.102
  294    HA   PHE  39           HA       PHE  39   6.859   3.938   4.019
  295   1HB   PHE  39          1HB       PHE  39   5.591   5.831   2.045
  296   2HB   PHE  39          2HB       PHE  39   7.281   5.326   2.121
  297    HD1  PHE  39           1HD      PHE  39   5.479   5.046  -0.330
  298    HD2  PHE  39           2HD      PHE  39   6.341   2.376   2.920
  299    HE1  PHE  39           1HE      PHE  39   4.921   3.106  -1.766
  300    HE2  PHE  39           2HE      PHE  39   5.780   0.440   1.486
  301    HZ   PHE  39           HZ       PHE  39   5.060   0.803  -0.847
  302    H    VAL  40           H        VAL  40   4.145   6.251   4.346
  303    HA   VAL  40           HA       VAL  40   5.586   8.500   5.224
  304    HB   VAL  40           HB       VAL  40   3.552   8.978   6.602
  305   1HG1  VAL  40          1HG1      VAL  40   3.525   8.170   3.756
  306   2HG1  VAL  40          2HG1      VAL  40   3.082   9.707   4.497
  307   3HG1  VAL  40          3HG1      VAL  40   1.946   8.359   4.517
  308   1HG2  VAL  40          1HG2      VAL  40   1.721   7.315   6.557
  309   2HG2  VAL  40          2HG2      VAL  40   3.138   6.708   7.409
  310   3HG2  VAL  40          3HG2      VAL  40   2.801   6.168   5.765
  311    H    ARG  41           H        ARG  41   5.228   5.396   6.775
  312    HA   ARG  41           HA       ARG  41   6.146   6.362   9.405
  313   1HB   ARG  41          1HB       ARG  41   6.153   3.474   8.588
  314   2HB   ARG  41          2HB       ARG  41   5.661   4.197  10.116
  315   1HG   ARG  41          1HG       ARG  41   3.862   5.251   8.262
  316   2HG   ARG  41          2HG       ARG  41   4.061   3.571   7.769
  317   1HD   ARG  41          1HD       ARG  41   3.466   4.433  10.623
  318   2HD   ARG  41          2HD       ARG  41   2.232   3.883   9.471
  319    HE   ARG  41           HE       ARG  41   4.312   2.209  10.727
  320   1HH1  ARG  41          1HH1      ARG  41   2.417   2.672   7.902
  321   2HH1  ARG  41          2HH1      ARG  41   2.117   0.984   7.656
  322   1HH2  ARG  41          1HH2      ARG  41   3.769   0.001  10.543
  323   2HH2  ARG  41          2HH2      ARG  41   2.883  -0.529   9.152
  324    H    GLY  42           H        GLY  42   7.454   3.781   7.287
  325   1HA   GLY  42          1HA       GLY  42  10.154   4.989   7.615
  326   2HA   GLY  42          2HA       GLY  42   9.915   3.309   8.078
  327    H    ALA  43           H        ALA  43   7.893   3.491   5.512
  328    HA   ALA  43           HA       ALA  43   8.136   2.858   3.221
  329   1HB   ALA  43          1HB       ALA  43  10.930   3.861   3.184
  330   2HB   ALA  43          2HB       ALA  43   9.709   5.023   3.706
  331   3HB   ALA  43          3HB       ALA  43   9.580   4.260   2.121
  332    H    GLY  44           H        GLY  44   8.800   0.956   2.221
  333   1HA   GLY  44          1HA       GLY  44  10.251  -0.886   1.758
  334   2HA   GLY  44          2HA       GLY  44  11.305  -0.352   3.069
  335    H    ASN  45           H        ASN  45   7.819  -1.191   2.962
  336    HA   ASN  45           HA       ASN  45   8.338  -3.489   4.766
  337   1HB   ASN  45          1HB       ASN  45   6.456  -1.230   5.498
  338   2HB   ASN  45          2HB       ASN  45   6.930  -2.593   6.511
  339   1HD2  ASN  45          1HD2      ASN  45   9.375  -2.698   7.012
  340   2HD2  ASN  45          2HD2      ASN  45  10.199  -1.226   7.202
  341    H    CYS  46           H        CYS  46   7.535  -4.479   2.688
  342    HA   CYS  46           HA       CYS  46   5.193  -4.218   1.311
  343   1HB   CYS  46          1HB       CYS  46   7.080  -6.143   1.703
  344   2HB   CYS  46          2HB       CYS  46   5.671  -6.926   2.406
  345    HA   PRO  47           HA       PRO  47   1.901  -4.504   4.233
  346   1HB   PRO  47          1HB       PRO  47  -0.139  -5.059   2.502
  347   2HB   PRO  47          2HB       PRO  47   0.638  -3.491   2.610
  348   1HG   PRO  47          1HG       PRO  47   0.983  -5.662   0.616
  349   2HG   PRO  47          2HG       PRO  47   1.005  -3.915   0.374
  350   1HD   PRO  47          1HD       PRO  47   3.221  -5.558   0.539
  351   2HD   PRO  47          2HD       PRO  47   3.247  -3.801   0.770
  352    H    GLU  48           H        GLU  48   3.012  -7.184   2.452
  353    HA   GLU  48           HA       GLU  48   1.374  -9.033   4.157
  354   1HB   GLU  48          1HB       GLU  48   0.872 -10.369   2.301
  355   2HB   GLU  48          2HB       GLU  48   0.821  -8.748   1.613
  356   1HG   GLU  48          1HG       GLU  48   3.133 -10.716   1.442
  357   2HG   GLU  48          2HG       GLU  48   2.115 -10.165   0.113
  358    H    CYS  49           H        CYS  49   4.558  -8.331   2.845
  359    HA   CYS  49           HA       CYS  49   5.608 -10.677   4.368
  360   1HB   CYS  49          1HB       CYS  49   6.735 -11.465   2.506
  361   2HB   CYS  49          2HB       CYS  49   5.360 -10.721   1.705
  362    H    GLY  50           H        GLY  50   5.589  -7.418   4.309
  363   1HA   GLY  50          1HA       GLY  50   7.055  -5.782   5.125
  364   2HA   GLY  50          2HA       GLY  50   7.918  -7.107   5.908
  365    H    THR  51           H        THR  51   9.529  -8.263   4.583
  366    HA   THR  51           HA       THR  51  11.401  -8.267   3.154
  367    HB   THR  51           HB       THR  51   9.087  -7.157   1.621
  368    HG1  THR  51           1HG      THR  51   9.961  -9.450   2.037
  369   1HG2  THR  51          1HG2      THR  51  10.757  -7.248  -0.419
  370   2HG2  THR  51          2HG2      THR  51  11.960  -6.858   0.814
  371   3HG2  THR  51          3HG2      THR  51  10.602  -5.768   0.531
  372    HA   PRO  52           HA       PRO  52  13.049  -4.337   4.489
  373   1HB   PRO  52          1HB       PRO  52  15.675  -4.994   4.035
  374   2HB   PRO  52          2HB       PRO  52  14.773  -5.507   5.476
  375   1HG   PRO  52          1HG       PRO  52  15.377  -7.010   2.962
  376   2HG   PRO  52          2HG       PRO  52  15.427  -7.564   4.645
  377   1HD   PRO  52          1HD       PRO  52  13.364  -8.114   2.965
  378   2HD   PRO  52          2HD       PRO  52  13.147  -7.914   4.718
  379    H    LEU  53           H        LEU  53  12.238  -3.084   2.731
  380    HA   LEU  53           HA       LEU  53  13.869  -3.077   0.225
  381   1HB   LEU  53          1HB       LEU  53  11.052  -2.431   1.015
  382   2HB   LEU  53          2HB       LEU  53  11.739  -1.580  -0.370
  383    HG   LEU  53           HG       LEU  53  12.000  -4.572  -0.148
  384   1HD1  LEU  53          1HD1      LEU  53   9.612  -3.004  -1.160
  385   2HD1  LEU  53          2HD1      LEU  53   9.626  -4.211   0.126
  386   3HD1  LEU  53          3HD1      LEU  53   9.903  -4.700  -1.546
  387   1HD2  LEU  53          1HD2      LEU  53  12.966  -4.271  -2.160
  388   2HD2  LEU  53          2HD2      LEU  53  12.708  -2.533  -2.023
  389   3HD2  LEU  53          3HD2      LEU  53  11.477  -3.551  -2.768
  390    H    ARG  54           H        ARG  54  15.327  -1.418   0.050
  391    HA   ARG  54           HA       ARG  54  15.263   0.821   1.958
  392   1HB   ARG  54          1HB       ARG  54  17.110  -0.482   0.064
  393   2HB   ARG  54          2HB       ARG  54  17.319   1.265   0.188
  394   1HG   ARG  54          1HG       ARG  54  16.973  -0.214   2.747
  395   2HG   ARG  54          2HG       ARG  54  18.495  -0.472   1.891
  396   1HD   ARG  54          1HD       ARG  54  17.523   2.349   2.170
  397   2HD   ARG  54          2HD       ARG  54  18.219   1.562   3.601
  398    HE   ARG  54           HE       ARG  54  19.631   2.101   1.042
  399   1HH1  ARG  54          1HH1      ARG  54  20.839   3.032   3.541
  400   2HH1  ARG  54          2HH1      ARG  54  21.979   1.785   3.924
  401   1HH2  ARG  54          1HH2      ARG  54  20.545  -0.547   1.795
  402   2HH2  ARG  54          2HH2      ARG  54  21.812  -0.241   2.936
  403    H    LYS  55           H        LYS  55  13.074   0.716  -0.040
  404    HA   LYS  55           HA       LYS  55  13.052   3.465  -0.855
  405   1HB   LYS  55          1HB       LYS  55  14.820   2.154  -2.342
  406   2HB   LYS  55          2HB       LYS  55  13.376   1.649  -3.221
  407   1HG   LYS  55          1HG       LYS  55  13.843   4.550  -2.543
  408   2HG   LYS  55          2HG       LYS  55  14.570   3.829  -3.978
  409   1HD   LYS  55          1HD       LYS  55  11.615   3.973  -3.313
  410   2HD   LYS  55          2HD       LYS  55  12.447   4.826  -4.612
  411   1HE   LYS  55          1HE       LYS  55  11.924   1.849  -4.378
  412   2HE   LYS  55          2HE       LYS  55  11.449   2.948  -5.687
  413   1HZ   LYS  55          1HZ       LYS  55  13.912   3.402  -5.928
  414   2HZ   LYS  55          2HZ       LYS  55  13.398   1.860  -6.424
  415   3HZ   LYS  55          3HZ       LYS  55  14.180   2.059  -4.929
  416    H    SER  56           H        SER  56  10.940   4.004  -1.385
  417    HA   SER  56           HA       SER  56   8.812   2.140  -1.064
  418   1HB   SER  56          1HB       SER  56   7.740   4.180  -2.527
  419   2HB   SER  56          2HB       SER  56   8.080   4.295  -0.803
  420    HG   SER  56           HG       SER  56   9.757   5.520  -1.170
  421    H    ASN  57           H        ASN  57   9.625   0.373  -2.564
  422    HA   ASN  57           HA       ASN  57   9.416   0.948  -5.471
  423   1HB   ASN  57          1HB       ASN  57  10.344  -1.362  -5.617
  424   2HB   ASN  57          2HB       ASN  57  11.313  -0.326  -4.567
  425   1HD2  ASN  57          1HD2      ASN  57   9.266  -3.163  -4.665
  426   2HD2  ASN  57          2HD2      ASN  57   9.410  -3.567  -3.024
  427    H    PHE  58           H        PHE  58   6.982   1.279  -5.294
  428    HA   PHE  58           HA       PHE  58   5.588  -1.371  -5.378
  429   1HB   PHE  58          1HB       PHE  58   4.509   1.247  -4.241
  430   2HB   PHE  58          2HB       PHE  58   3.689  -0.303  -4.223
  431    HD1  PHE  58           1HD      PHE  58   7.017   1.115  -3.188
  432    HD2  PHE  58           2HD      PHE  58   3.813  -1.614  -2.342
  433    HE1  PHE  58           1HE      PHE  58   8.155   0.426  -1.096
  434    HE2  PHE  58           2HE      PHE  58   4.946  -2.292  -0.243
  435    HZ   PHE  58           HZ       PHE  58   7.119  -1.274   0.377
  436    H    ARG  59           H        ARG  59   5.045  -1.651  -7.486
  437    HA   ARG  59           HA       ARG  59   4.547   0.674  -9.241
  438   1HB   ARG  59          1HB       ARG  59   4.306  -1.236 -10.944
  439   2HB   ARG  59          2HB       ARG  59   5.879  -1.064 -10.175
  440   1HG   ARG  59          1HG       ARG  59   5.451  -2.906  -8.688
  441   2HG   ARG  59          2HG       ARG  59   3.744  -2.950  -9.140
  442   1HD   ARG  59          1HD       ARG  59   5.255  -3.175 -11.550
  443   2HD   ARG  59          2HD       ARG  59   5.949  -4.316 -10.382
  444    HE   ARG  59           HE       ARG  59   3.126  -4.490 -10.167
  445   1HH1  ARG  59          1HH1      ARG  59   5.825  -5.729 -11.799
  446   2HH1  ARG  59          2HH1      ARG  59   4.913  -6.695 -12.912
  447   1HH2  ARG  59          1HH2      ARG  59   1.842  -5.444 -11.893
  448   2HH2  ARG  59          2HH2      ARG  59   2.659  -6.532 -12.964
  449    H    VAL  60           H        VAL  60   2.571   1.534  -9.132
  450    HA   VAL  60           HA       VAL  60   0.244  -0.029  -8.279
  451    HB   VAL  60           HB       VAL  60   0.802   2.189  -7.413
  452   1HG1  VAL  60          1HG1      VAL  60   1.727   3.568  -8.972
  453   2HG1  VAL  60          2HG1      VAL  60   0.057   3.991  -9.349
  454   3HG1  VAL  60          3HG1      VAL  60   0.896   2.773 -10.309
  455   1HG2  VAL  60          1HG2      VAL  60  -1.734   1.413  -8.606
  456   2HG2  VAL  60          2HG2      VAL  60  -1.559   3.168  -8.604
  457   3HG2  VAL  60          3HG2      VAL  60  -1.436   2.268  -7.093
  458    H    GLN  61           H        GLN  61  -1.544  -0.507  -9.468
  459    HA   GLN  61           HA       GLN  61  -2.209   0.521 -12.060
  460   1HB   GLN  61          1HB       GLN  61  -1.374  -1.253 -13.460
  461   2HB   GLN  61          2HB       GLN  61  -0.021  -0.741 -12.450
  462   1HG   GLN  61          1HG       GLN  61  -1.231  -2.661 -10.882
  463   2HG   GLN  61          2HG       GLN  61  -1.457  -3.310 -12.508
  464   1HE2  GLN  61          1HE2      GLN  61   1.039  -2.180 -10.208
  465   2HE2  GLN  61          2HE2      GLN  61   2.328  -2.989 -10.960
  466    H    LEU  62           H        LEU  62  -3.833  -1.145 -13.148
  467    HA   LEU  62           HA       LEU  62  -5.038  -3.253 -11.655
  468   1HB   LEU  62          1HB       LEU  62  -5.364  -0.820 -10.425
  469   2HB   LEU  62          2HB       LEU  62  -6.842  -0.934 -11.373
  470    HG   LEU  62           HG       LEU  62  -7.260  -3.186 -10.399
  471   1HD1  LEU  62          1HD1      LEU  62  -4.639  -3.308  -9.853
  472   2HD1  LEU  62          2HD1      LEU  62  -5.823  -4.212  -8.914
  473   3HD1  LEU  62          3HD1      LEU  62  -5.195  -2.683  -8.302
  474   1HD2  LEU  62          1HD2      LEU  62  -7.856  -0.819  -9.318
  475   2HD2  LEU  62          2HD2      LEU  62  -6.786  -1.404  -8.043
  476   3HD2  LEU  62          3HD2      LEU  62  -8.225  -2.326  -8.478
  477    H    PHE  63           H        PHE  63  -6.649  -0.435 -13.161
  478    HA   PHE  63           HA       PHE  63  -8.262  -2.099 -14.890
  479   1HB   PHE  63          1HB       PHE  63  -8.559   0.325 -13.914
  480   2HB   PHE  63          2HB       PHE  63  -7.674   0.815 -15.358
  481    HD1  PHE  63           1HD      PHE  63  -8.583   0.289 -17.624
  482    HD2  PHE  63           2HD      PHE  63 -10.822  -0.479 -14.039
  483    HE1  PHE  63           1HE      PHE  63 -10.657   0.071 -18.965
  484    HE2  PHE  63           2HE      PHE  63 -12.895  -0.696 -15.381
  485    HZ   PHE  63           HZ       PHE  63 -12.814  -0.422 -17.844
  486    H    GLU  64           H        GLU  64  -6.962  -3.359 -16.283
  487    HA   GLU  64           HA       GLU  64  -5.465  -3.811 -18.065
  488   1HB   GLU  64          1HB       GLU  64  -6.899  -1.235 -18.706
  489   2HB   GLU  64          2HB       GLU  64  -5.769  -1.946 -19.859
  490   1HG   GLU  64          1HG       GLU  64  -7.895  -3.673 -18.627
  491   2HG   GLU  64          2HG       GLU  64  -8.326  -2.590 -19.952
  492    H    ASP  65           H        ASP  65  -3.906  -2.099 -19.629
  493    HA   ASP  65           HA       ASP  65  -2.325  -0.368 -17.821
  494   1HB   ASP  65          1HB       ASP  65  -0.269  -1.778 -18.472
  495   2HB   ASP  65          2HB       ASP  65  -1.378  -2.495 -17.303
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -8.467  -5.334  -8.636
    2   2H    MET   1          2HT       MET   1  -9.880  -4.815  -9.424
    3   3H    MET   1          3HT       MET   1  -8.849  -5.937 -10.174
    4    HA   MET   1           HA       MET   1 -10.682  -7.181  -9.352
    5   1HB   MET   1          1HB       MET   1  -8.499  -8.197  -9.110
    6   2HB   MET   1          2HB       MET   1  -8.176  -7.268  -7.645
    7   1HG   MET   1          1HG       MET   1  -9.268  -8.773  -6.362
    8   2HG   MET   1          2HG       MET   1 -10.666  -8.769  -7.437
    9   1HE   MET   1          1HE       MET   1 -11.067 -11.205  -6.874
   10   2HE   MET   1          2HE       MET   1 -10.626 -12.324  -8.161
   11   3HE   MET   1          3HE       MET   1 -11.414 -10.801  -8.561
   12    H    ASP   2           H        ASP   2  -9.691  -4.573  -7.319
   13    HA   ASP   2           HA       ASP   2 -10.590  -3.707  -5.302
   14   1HB   ASP   2          1HB       ASP   2 -13.115  -4.927  -6.442
   15   2HB   ASP   2          2HB       ASP   2 -12.962  -3.442  -5.503
   16    H    ASP   3           H        ASP   3 -13.124  -4.979  -4.179
   17    HA   ASP   3           HA       ASP   3 -13.650  -6.556  -2.503
   18   1HB   ASP   3          1HB       ASP   3 -11.774  -8.095  -4.321
   19   2HB   ASP   3          2HB       ASP   3 -12.714  -8.849  -3.033
   20    H    GLN   4           H        GLN   4 -10.654  -8.264  -2.660
   21    HA   GLN   4           HA       GLN   4  -9.961  -7.514   0.059
   22   1HB   GLN   4          1HB       GLN   4  -9.551  -9.737  -0.910
   23   2HB   GLN   4          2HB       GLN   4  -8.480  -9.026  -2.120
   24   1HG   GLN   4          1HG       GLN   4  -7.085  -9.906  -0.359
   25   2HG   GLN   4          2HG       GLN   4  -7.070  -8.150  -0.203
   26   1HE2  GLN   4          1HE2      GLN   4  -6.473  -9.704   2.070
   27   2HE2  GLN   4          2HE2      GLN   4  -7.753  -9.602   3.179
   28    H    GLY   5           H        GLY   5  -7.739  -7.416  -2.716
   29   1HA   GLY   5          1HA       GLY   5  -5.921  -5.936  -3.063
   30   2HA   GLY   5          2HA       GLY   5  -7.240  -4.771  -3.146
   31    H    CYS   6           H        CYS   6  -6.905  -3.062  -1.838
   32    HA   CYS   6           HA       CYS   6  -4.962  -2.449  -0.094
   33   1HB   CYS   6          1HB       CYS   6  -6.699  -0.884  -0.548
   34   2HB   CYS   6          2HB       CYS   6  -7.933  -1.929   0.115
   35    HA   PRO   7           HA       PRO   7  -5.620  -5.668   3.025
   36   1HB   PRO   7          1HB       PRO   7  -2.963  -6.159   3.434
   37   2HB   PRO   7          2HB       PRO   7  -3.895  -6.911   2.127
   38   1HG   PRO   7          1HG       PRO   7  -1.890  -4.754   2.027
   39   2HG   PRO   7          2HG       PRO   7  -2.373  -5.905   0.776
   40   1HD   PRO   7          1HD       PRO   7  -3.161  -3.191   1.024
   41   2HD   PRO   7          2HD       PRO   7  -3.772  -4.386  -0.135
   42    H    ARG   8           H        ARG   8  -4.337  -2.526   3.045
   43    HA   ARG   8           HA       ARG   8  -3.726  -2.663   5.978
   44   1HB   ARG   8          1HB       ARG   8  -2.113  -1.821   4.031
   45   2HB   ARG   8          2HB       ARG   8  -3.003  -0.313   4.255
   46   1HG   ARG   8          1HG       ARG   8  -2.212  -0.012   6.408
   47   2HG   ARG   8          2HG       ARG   8  -2.005  -1.741   6.688
   48   1HD   ARG   8          1HD       ARG   8   0.063  -1.798   5.579
   49   2HD   ARG   8          2HD       ARG   8  -0.301  -0.344   4.627
   50    HE   ARG   8           HE       ARG   8   0.692   0.833   6.423
   51   1HH1  ARG   8          1HH2      ARG   8   1.006  -2.086   7.678
   52   2HH1  ARG   8          2HH2      ARG   8   0.456  -1.738   9.283
   53   1HH2  ARG   8          1HH1      ARG   8  -0.877   1.350   8.442
   54   2HH2  ARG   8          2HH1      ARG   8  -0.610   0.207   9.715
   55    H    CYS   9           H        CYS   9  -5.080  -0.271   3.644
   56    HA   CYS   9           HA       CYS   9  -6.839   0.705   5.871
   57   1HB   CYS   9          1HB       CYS   9  -7.182   2.374   3.632
   58   2HB   CYS   9          2HB       CYS   9  -6.243   2.725   5.068
   59    H    LYS  10           H        LYS  10  -7.513  -1.757   4.640
   60    HA   LYS  10           HA       LYS  10  -9.052  -2.348   2.650
   61   1HB   LYS  10          1HB       LYS  10 -10.524  -3.570   4.058
   62   2HB   LYS  10          2HB       LYS  10  -9.030  -3.401   4.972
   63   1HG   LYS  10          1HG       LYS  10 -11.648  -1.959   5.370
   64   2HG   LYS  10          2HG       LYS  10 -10.709  -2.881   6.539
   65   1HD   LYS  10          1HD       LYS  10  -8.897  -1.133   6.342
   66   2HD   LYS  10          2HD       LYS  10 -10.011  -0.174   5.369
   67   1HE   LYS  10          1HE       LYS  10  -9.967   0.368   7.883
   68   2HE   LYS  10          2HE       LYS  10 -11.570   0.017   7.206
   69   1HZ   LYS  10          1HZ       LYS  10 -11.547  -2.117   8.072
   70   2HZ   LYS  10          2HZ       LYS  10 -10.778  -1.247   9.312
   71   3HZ   LYS  10          3HZ       LYS  10  -9.858  -2.166   8.218
   72    H    THR  11           H        THR  11  -9.539  -0.304   1.482
   73    HA   THR  11           HA       THR  11 -12.344   0.398   1.744
   74    HB   THR  11           HB       THR  11 -10.783   1.548   3.619
   75    HG1  THR  11           1HG      THR  11 -12.971   1.834   3.553
   76   1HG2  THR  11          1HG2      THR  11 -10.641   3.406   1.219
   77   2HG2  THR  11          2HG2      THR  11  -9.293   2.742   2.149
   78   3HG2  THR  11          3HG2      THR  11 -10.365   3.933   2.882
   79    H    THR  12           H        THR  12  -9.221   1.690   0.652
   80    HA   THR  12           HA       THR  12  -9.845   3.381  -1.367
   81    HB   THR  12           HB       THR  12  -7.744   2.203  -2.455
   82    HG1  THR  12           1HG      THR  12  -7.422   1.225   0.114
   83   1HG2  THR  12          1HG2      THR  12  -7.414   3.200   0.334
   84   2HG2  THR  12          2HG2      THR  12  -8.128   4.264  -0.881
   85   3HG2  THR  12          3HG2      THR  12  -6.506   3.616  -1.116
   86    H    LYS  13           H        LYS  13  -8.626   0.690  -3.099
   87    HA   LYS  13           HA       LYS  13 -10.255   0.881  -5.270
   88   1HB   LYS  13          1HB       LYS  13  -9.343  -1.176  -5.881
   89   2HB   LYS  13          2HB       LYS  13  -8.232  -0.627  -4.639
   90   1HG   LYS  13          1HG       LYS  13 -10.607  -2.373  -3.989
   91   2HG   LYS  13          2HG       LYS  13  -9.042  -3.042  -4.446
   92   1HD   LYS  13          1HD       LYS  13  -7.997  -1.698  -2.624
   93   2HD   LYS  13          2HD       LYS  13  -9.617  -1.201  -2.109
   94   1HE   LYS  13          1HE       LYS  13  -8.822  -4.121  -2.397
   95   2HE   LYS  13          2HE       LYS  13  -8.673  -3.239  -0.870
   96   1HZ   LYS  13          1HZ       LYS  13 -10.887  -3.194  -0.610
   97   2HZ   LYS  13          2HZ       LYS  13 -10.932  -4.435  -1.768
   98   3HZ   LYS  13          3HZ       LYS  13 -11.176  -2.823  -2.241
   99    H    TYR  14           H        TYR  14 -11.250  -0.441  -2.182
  100    HA   TYR  14           HA       TYR  14 -13.616  -1.785  -3.207
  101   1HB   TYR  14          1HB       TYR  14 -12.302  -2.080  -0.980
  102   2HB   TYR  14          2HB       TYR  14 -13.215  -0.695  -0.413
  103    HD1  TYR  14           1HD      TYR  14 -13.499  -3.267   0.957
  104    HD2  TYR  14           2HD      TYR  14 -15.537  -1.774  -2.517
  105    HE1  TYR  14           1HE      TYR  14 -15.423  -4.750   1.448
  106    HE2  TYR  14           2HE      TYR  14 -17.461  -3.258  -2.026
  107    HH   TYR  14           HH       TYR  14 -18.244  -4.878  -0.726
  108    H    ARG  15           H        ARG  15 -12.922   1.349  -1.690
  109    HA   ARG  15           HA       ARG  15 -15.642   2.375  -2.272
  110   1HB   ARG  15          1HB       ARG  15 -13.287   3.050  -0.616
  111   2HB   ARG  15          2HB       ARG  15 -14.112   4.447  -1.292
  112   1HG   ARG  15          1HG       ARG  15 -15.532   4.214   0.471
  113   2HG   ARG  15          2HG       ARG  15 -16.207   2.856  -0.433
  114   1HD   ARG  15          1HD       ARG  15 -13.981   2.706   1.629
  115   2HD   ARG  15          2HD       ARG  15 -15.631   2.089   1.819
  116    HE   ARG  15           HE       ARG  15 -13.546   0.970  -0.008
  117   1HH1  ARG  15          1HH2      ARG  15 -16.185   0.787  -1.338
  118   2HH1  ARG  15          2HH2      ARG  15 -16.817  -0.710  -0.740
  119   1HH2  ARG  15          1HH1      ARG  15 -14.600  -0.886   1.923
  120   2HH2  ARG  15          2HH1      ARG  15 -15.918  -1.660   1.107
  121    H    ASN  16           H        ASN  16 -12.390   3.729  -2.725
  122    HA   ASN  16           HA       ASN  16 -13.062   5.370  -4.983
  123   1HB   ASN  16          1HB       ASN  16 -10.724   4.481  -3.392
  124   2HB   ASN  16          2HB       ASN  16 -10.345   4.968  -5.049
  125   1HD2  ASN  16          1HD2      ASN  16  -9.226   6.676  -3.413
  126   2HD2  ASN  16          2HD2      ASN  16 -10.130   8.095  -3.181
  127    HA   PRO  17           HA       PRO  17 -12.754   1.982  -7.897
  128   1HB   PRO  17          1HB       PRO  17 -13.895   3.326  -9.988
  129   2HB   PRO  17          2HB       PRO  17 -14.825   2.673  -8.627
  130   1HG   PRO  17          1HG       PRO  17 -14.216   5.447  -9.314
  131   2HG   PRO  17          2HG       PRO  17 -15.431   4.808  -8.202
  132   1HD   PRO  17          1HD       PRO  17 -12.813   5.916  -7.604
  133   2HD   PRO  17          2HD       PRO  17 -14.118   5.459  -6.486
  134    H    SER  18           H        SER  18 -12.148   5.167  -9.458
  135    HA   SER  18           HA       SER  18 -10.463   4.309 -11.518
  136   1HB   SER  18          1HB       SER  18 -10.967   6.510 -11.765
  137   2HB   SER  18          2HB       SER  18 -11.037   6.782 -10.026
  138    HG   SER  18           HG       SER  18  -9.247   7.831 -10.557
  139    H    LEU  19           H        LEU  19  -9.569   5.003  -8.161
  140    HA   LEU  19           HA       LEU  19  -6.774   5.141  -8.287
  141   1HB   LEU  19          1HB       LEU  19  -6.951   4.689  -5.979
  142   2HB   LEU  19          2HB       LEU  19  -8.572   5.241  -6.379
  143    HG   LEU  19           HG       LEU  19  -7.644   2.354  -6.125
  144   1HD1  LEU  19          1HD1      LEU  19  -8.431   2.512  -4.042
  145   2HD1  LEU  19          2HD1      LEU  19  -9.998   3.025  -4.648
  146   3HD1  LEU  19          3HD1      LEU  19  -8.755   4.223  -4.285
  147   1HD2  LEU  19          1HD2      LEU  19 -10.289   3.524  -7.051
  148   2HD2  LEU  19          2HD2      LEU  19 -10.021   1.823  -6.695
  149   3HD2  LEU  19          3HD2      LEU  19  -9.174   2.582  -8.025
  150    H    LYS  20           H        LYS  20  -5.613   3.031  -6.953
  151    HA   LYS  20           HA       LYS  20  -6.320   0.421  -7.969
  152   1HB   LYS  20          1HB       LYS  20  -4.230   0.317  -9.481
  153   2HB   LYS  20          2HB       LYS  20  -5.585   1.267 -10.091
  154   1HG   LYS  20          1HG       LYS  20  -3.826   2.862  -8.399
  155   2HG   LYS  20          2HG       LYS  20  -2.954   2.156  -9.760
  156   1HD   LYS  20          1HD       LYS  20  -5.622   3.347 -10.342
  157   2HD   LYS  20          2HD       LYS  20  -4.315   4.470  -9.965
  158   1HE   LYS  20          1HE       LYS  20  -3.320   4.104 -11.982
  159   2HE   LYS  20          2HE       LYS  20  -3.484   2.345 -11.819
  160   1HZ   LYS  20          1HZ       LYS  20  -5.618   4.277 -12.586
  161   2HZ   LYS  20          2HZ       LYS  20  -5.871   2.619 -12.315
  162   3HZ   LYS  20          3HZ       LYS  20  -4.892   3.131 -13.604
  163    H    LEU  21           H        LEU  21  -4.304  -1.095  -7.633
  164    HA   LEU  21           HA       LEU  21  -3.026  -0.252  -5.074
  165   1HB   LEU  21          1HB       LEU  21  -4.019  -2.825  -6.264
  166   2HB   LEU  21          2HB       LEU  21  -2.807  -2.878  -4.986
  167    HG   LEU  21           HG       LEU  21  -4.264  -1.949  -3.396
  168   1HD1  LEU  21          1HD1      LEU  21  -6.376  -0.774  -4.010
  169   2HD1  LEU  21          2HD1      LEU  21  -5.976  -0.986  -5.713
  170   3HD1  LEU  21          3HD1      LEU  21  -4.958   0.024  -4.689
  171   1HD2  LEU  21          1HD2      LEU  21  -6.633  -3.031  -4.175
  172   2HD2  LEU  21          2HD2      LEU  21  -5.293  -3.981  -3.533
  173   3HD2  LEU  21          3HD2      LEU  21  -5.529  -3.856  -5.276
  174    H    MET  22           H        MET  22  -0.775  -0.495  -4.823
  175    HA   MET  22           HA       MET  22   0.685  -1.139  -7.337
  176   1HB   MET  22          1HB       MET  22   2.203   0.300  -5.317
  177   2HB   MET  22          2HB       MET  22   1.871   0.762  -6.972
  178   1HG   MET  22          1HG       MET  22  -0.327   1.646  -6.295
  179   2HG   MET  22          2HG       MET  22  -0.019   1.156  -4.630
  180   1HE   MET  22          1HE       MET  22  -0.124   4.734  -4.353
  181   2HE   MET  22          2HE       MET  22  -1.029   3.529  -5.265
  182   3HE   MET  22          3HE       MET  22  -0.107   4.762  -6.122
  183    H    VAL  23           H        VAL  23   1.861  -2.944  -7.316
  184    HA   VAL  23           HA       VAL  23   2.317  -4.395  -4.775
  185    HB   VAL  23           HB       VAL  23   2.344  -4.926  -7.722
  186   1HG1  VAL  23          1HG1      VAL  23   3.922  -6.460  -5.663
  187   2HG1  VAL  23          2HG1      VAL  23   4.415  -5.959  -7.280
  188   3HG1  VAL  23          3HG1      VAL  23   3.255  -7.272  -7.078
  189   1HG2  VAL  23          1HG2      VAL  23   1.028  -5.976  -5.249
  190   2HG2  VAL  23          2HG2      VAL  23   1.182  -7.052  -6.638
  191   3HG2  VAL  23          3HG2      VAL  23   0.308  -5.529  -6.796
  192    H    ASN  24           H        ASN  24   4.545  -5.292  -4.348
  193    HA   ASN  24           HA       ASN  24   6.654  -3.396  -5.321
  194   1HB   ASN  24          1HB       ASN  24   7.687  -4.154  -3.027
  195   2HB   ASN  24          2HB       ASN  24   6.404  -2.943  -3.060
  196   1HD2  ASN  24          1HD2      ASN  24   5.941  -3.735  -0.779
  197   2HD2  ASN  24          2HD2      ASN  24   4.987  -5.125  -0.582
  198    H    VAL  25           H        VAL  25   8.919  -4.405  -4.899
  199    HA   VAL  25           HA       VAL  25   9.672  -6.269  -6.686
  200    HB   VAL  25           HB       VAL  25  11.340  -5.252  -5.401
  201   1HG1  VAL  25          1HG1      VAL  25  11.090  -6.215  -2.760
  202   2HG1  VAL  25          2HG1      VAL  25   9.474  -5.698  -3.241
  203   3HG1  VAL  25          3HG1      VAL  25  10.825  -4.566  -3.325
  204   1HG2  VAL  25          1HG2      VAL  25  11.514  -7.836  -3.939
  205   2HG2  VAL  25          2HG2      VAL  25  12.731  -7.005  -4.910
  206   3HG2  VAL  25          3HG2      VAL  25  11.448  -7.921  -5.700
  207    H    CYS  26           H        CYS  26   9.332  -7.563  -3.329
  208    HA   CYS  26           HA       CYS  26   9.237 -10.257  -3.948
  209   1HB   CYS  26          1HB       CYS  26   7.845 -10.473  -1.880
  210   2HB   CYS  26          2HB       CYS  26   9.204  -9.372  -1.672
  211    H    GLY  27           H        GLY  27   6.761  -7.877  -4.594
  212   1HA   GLY  27          1HA       GLY  27   4.981  -8.109  -6.140
  213   2HA   GLY  27          2HA       GLY  27   5.340  -9.830  -6.255
  214    H    HIS  28           H        HIS  28   3.904  -7.402  -4.056
  215    HA   HIS  28           HA       HIS  28   2.070  -9.578  -3.140
  216   1HB   HIS  28          1HB       HIS  28   3.894  -7.804  -1.650
  217   2HB   HIS  28          2HB       HIS  28   2.268  -7.905  -0.974
  218    HD2  HIS  28           2HD      HIS  28   1.638 -11.047  -1.670
  219    HE1  HIS  28           1HE      HIS  28   5.191 -11.932   0.414
  220    HE2  HIS  28           2HE      HIS  28   3.031 -12.902  -0.486
  221    H    THR  29           H        THR  29   1.676  -6.405  -1.763
  222    HA   THR  29           HA       THR  29  -0.020  -5.298  -3.830
  223    HB   THR  29           HB       THR  29  -1.147  -7.116  -1.719
  224    HG1  THR  29           1HG      THR  29  -1.431  -6.666  -4.480
  225   1HG2  THR  29          1HG2      THR  29  -2.575  -4.752  -2.978
  226   2HG2  THR  29          2HG2      THR  29  -2.335  -5.059  -1.258
  227   3HG2  THR  29          3HG2      THR  29  -3.411  -6.095  -2.197
  228    H    LEU  30           H        LEU  30  -0.730  -3.231  -3.269
  229    HA   LEU  30           HA       LEU  30  -0.809  -2.279  -0.512
  230   1HB   LEU  30          1HB       LEU  30   1.665  -2.470  -1.486
  231   2HB   LEU  30          2HB       LEU  30   1.250  -0.925  -2.211
  232    HG   LEU  30           HG       LEU  30   0.596  -0.109   0.049
  233   1HD1  LEU  30          1HD1      LEU  30   2.055  -2.310   1.358
  234   2HD1  LEU  30          2HD1      LEU  30   0.456  -2.725   0.745
  235   3HD1  LEU  30          3HD1      LEU  30   0.646  -1.422   1.917
  236   1HD2  LEU  30          1HD2      LEU  30   3.390  -1.238   0.149
  237   2HD2  LEU  30          2HD2      LEU  30   2.821   0.296   0.796
  238   3HD2  LEU  30          3HD2      LEU  30   2.966   0.073  -0.946
  239    H    CYS  31           H        CYS  31  -2.882  -1.513  -1.127
  240    HA   CYS  31           HA       CYS  31  -3.566  -0.165  -3.482
  241   1HB   CYS  31          1HB       CYS  31  -5.551   0.042  -2.436
  242   2HB   CYS  31          2HB       CYS  31  -4.818  -0.947  -1.210
  243    H    GLU  32           H        GLU  32  -4.215   2.138  -3.615
  244    HA   GLU  32           HA       GLU  32  -2.071   3.924  -3.541
  245   1HB   GLU  32          1HB       GLU  32  -4.096   5.649  -3.195
  246   2HB   GLU  32          2HB       GLU  32  -3.895   4.766  -4.704
  247   1HG   GLU  32          1HG       GLU  32  -5.477   3.400  -2.599
  248   2HG   GLU  32          2HG       GLU  32  -6.226   4.799  -3.359
  249    H    SER  33           H        SER  33  -4.693   3.655  -1.143
  250    HA   SER  33           HA       SER  33  -3.557   5.361   0.821
  251   1HB   SER  33          1HB       SER  33  -5.654   3.137   0.954
  252   2HB   SER  33          2HB       SER  33  -5.329   4.304   2.248
  253    HG   SER  33           HG       SER  33  -6.034   5.940   1.035
  254    H    CYS  34           H        CYS  34  -2.697   2.108  -0.068
  255    HA   CYS  34           HA       CYS  34  -1.682   1.473   2.643
  256   1HB   CYS  34          1HB       CYS  34  -1.740   0.073  -0.041
  257   2HB   CYS  34          2HB       CYS  34  -0.714  -0.501   1.257
  258    H    VAL  35           H        VAL  35  -0.266   1.777  -0.646
  259    HA   VAL  35           HA       VAL  35   2.440   1.901   0.028
  260    HB   VAL  35           HB       VAL  35   0.669   2.778  -2.140
  261   1HG1  VAL  35          1HG1      VAL  35   3.171   4.372  -1.556
  262   2HG1  VAL  35          2HG1      VAL  35   1.546   4.987  -1.855
  263   3HG1  VAL  35          3HG1      VAL  35   2.470   4.261  -3.170
  264   1HG2  VAL  35          1HG2      VAL  35   1.957   0.851  -2.494
  265   2HG2  VAL  35          2HG2      VAL  35   3.426   1.611  -1.881
  266   3HG2  VAL  35          3HG2      VAL  35   2.769   2.090  -3.445
  267    H    ASP  36           H        ASP  36  -0.090   4.270   0.587
  268    HA   ASP  36           HA       ASP  36   1.716   6.453   1.253
  269   1HB   ASP  36          1HB       ASP  36  -0.247   7.587   1.169
  270   2HB   ASP  36          2HB       ASP  36  -1.003   6.066   0.714
  271    H    LEU  37           H        LEU  37  -0.452   4.457   3.339
  272    HA   LEU  37           HA       LEU  37   0.711   5.275   5.810
  273   1HB   LEU  37          1HB       LEU  37  -0.688   2.729   4.938
  274   2HB   LEU  37          2HB       LEU  37  -0.382   3.157   6.622
  275    HG   LEU  37           HG       LEU  37  -2.022   4.762   4.636
  276   1HD1  LEU  37          1HD1      LEU  37  -3.576   4.147   6.845
  277   2HD1  LEU  37          2HD1      LEU  37  -2.638   2.674   6.601
  278   3HD1  LEU  37          3HD1      LEU  37  -3.634   3.313   5.293
  279   1HD2  LEU  37          1HD2      LEU  37  -0.665   5.511   7.073
  280   2HD2  LEU  37          2HD2      LEU  37  -2.410   5.628   7.305
  281   3HD2  LEU  37          3HD2      LEU  37  -1.634   6.518   5.996
  282    H    LEU  38           H        LEU  38   1.477   2.610   3.622
  283    HA   LEU  38           HA       LEU  38   3.348   1.175   5.156
  284   1HB   LEU  38          1HB       LEU  38   2.506   1.489   2.424
  285   2HB   LEU  38          2HB       LEU  38   4.259   1.374   2.470
  286    HG   LEU  38           HG       LEU  38   3.255  -0.855   2.261
  287   1HD1  LEU  38          1HD1      LEU  38   4.080  -1.299   4.961
  288   2HD1  LEU  38          2HD1      LEU  38   5.065   0.008   4.306
  289   3HD1  LEU  38          3HD1      LEU  38   5.010  -1.552   3.485
  290   1HD2  LEU  38          1HD2      LEU  38   1.110  -0.296   3.394
  291   2HD2  LEU  38          2HD2      LEU  38   1.962  -0.216   4.936
  292   3HD2  LEU  38          3HD2      LEU  38   1.851  -1.748   4.067
  293    H    PHE  39           H        PHE  39   4.011   3.902   2.917
  294    HA   PHE  39           HA       PHE  39   6.797   4.032   3.833
  295   1HB   PHE  39          1HB       PHE  39   5.369   5.866   1.915
  296   2HB   PHE  39          2HB       PHE  39   7.086   5.459   1.954
  297    HD1  PHE  39           1HD      PHE  39   6.545   2.457   2.612
  298    HD2  PHE  39           2HD      PHE  39   5.050   5.121  -0.406
  299    HE1  PHE  39           1HE      PHE  39   6.067   0.522   1.146
  300    HE2  PHE  39           2HE      PHE  39   4.572   3.180  -1.874
  301    HZ   PHE  39           HZ       PHE  39   5.067   0.885  -1.080
  302    H    VAL  40           H        VAL  40   3.863   6.058   4.227
  303    HA   VAL  40           HA       VAL  40   5.034   8.439   5.125
  304    HB   VAL  40           HB       VAL  40   3.010   8.653   6.569
  305   1HG1  VAL  40          1HG1      VAL  40   2.266   9.296   4.529
  306   2HG1  VAL  40          2HG1      VAL  40   1.453   7.732   4.501
  307   3HG1  VAL  40          3HG1      VAL  40   3.023   7.924   3.720
  308   1HG2  VAL  40          1HG2      VAL  40   2.980   6.306   7.352
  309   2HG2  VAL  40          2HG2      VAL  40   2.544   5.782   5.728
  310   3HG2  VAL  40          3HG2      VAL  40   1.427   6.778   6.661
  311    H    ARG  41           H        ARG  41   5.019   5.314   6.704
  312    HA   ARG  41           HA       ARG  41   5.853   6.324   9.323
  313   1HB   ARG  41          1HB       ARG  41   6.369   3.526   8.355
  314   2HB   ARG  41          2HB       ARG  41   5.802   4.066   9.933
  315   1HG   ARG  41          1HG       ARG  41   3.759   4.902   8.308
  316   2HG   ARG  41          2HG       ARG  41   4.272   3.421   7.498
  317   1HD   ARG  41          1HD       ARG  41   3.334   3.735  10.365
  318   2HD   ARG  41          2HD       ARG  41   2.646   2.704   9.095
  319    HE   ARG  41           HE       ARG  41   4.765   1.912  10.802
  320   1HH1  ARG  41          1HH1      ARG  41   3.479   1.506   7.687
  321   2HH1  ARG  41          2HH1      ARG  41   4.769   0.504   7.113
  322   1HH2  ARG  41          1HH2      ARG  41   6.704   0.903   9.962
  323   2HH2  ARG  41          2HH2      ARG  41   6.595   0.163   8.400
  324    H    GLY  42           H        GLY  42   7.555   4.163   7.043
  325   1HA   GLY  42          1HA       GLY  42   9.929   5.846   6.995
  326   2HA   GLY  42          2HA       GLY  42  10.137   4.406   7.992
  327    H    ALA  43           H        ALA  43   8.030   4.314   5.189
  328    HA   ALA  43           HA       ALA  43   8.231   3.051   3.177
  329   1HB   ALA  43          1HB       ALA  43  10.957   4.201   3.742
  330   2HB   ALA  43          2HB       ALA  43   9.805   4.652   2.485
  331   3HB   ALA  43          3HB       ALA  43  10.719   3.150   2.346
  332    H    GLY  44           H        GLY  44   9.749   1.137   2.235
  333   1HA   GLY  44          1HA       GLY  44  10.427  -1.073   2.532
  334   2HA   GLY  44          2HA       GLY  44  11.222  -0.514   3.999
  335    H    ASN  45           H        ASN  45  10.277  -2.949   4.259
  336    HA   ASN  45           HA       ASN  45   8.955  -4.204   5.769
  337   1HB   ASN  45          1HB       ASN  45   7.361  -1.697   6.284
  338   2HB   ASN  45          2HB       ASN  45   7.731  -3.014   7.394
  339   1HD2  ASN  45          1HD2      ASN  45  10.226  -3.267   7.828
  340   2HD2  ASN  45          2HD2      ASN  45  11.104  -1.825   8.004
  341    H    CYS  46           H        CYS  46   8.207  -5.042   3.562
  342    HA   CYS  46           HA       CYS  46   6.024  -4.360   2.036
  343   1HB   CYS  46          1HB       CYS  46   7.438  -6.471   1.924
  344   2HB   CYS  46          2HB       CYS  46   6.486  -7.096   3.263
  345    HA   PRO  47           HA       PRO  47   2.522  -3.974   4.706
  346   1HB   PRO  47          1HB       PRO  47   0.581  -4.741   2.900
  347   2HB   PRO  47          2HB       PRO  47   1.385  -3.179   2.888
  348   1HG   PRO  47          1HG       PRO  47   2.112  -5.661   1.359
  349   2HG   PRO  47          2HG       PRO  47   1.803  -4.039   0.717
  350   1HD   PRO  47          1HD       PRO  47   4.285  -4.793   1.126
  351   2HD   PRO  47          2HD       PRO  47   3.786  -3.185   1.686
  352    H    GLU  48           H        GLU  48   3.654  -6.936   3.412
  353    HA   GLU  48           HA       GLU  48   2.014  -8.399   5.418
  354   1HB   GLU  48          1HB       GLU  48   1.561 -10.115   3.616
  355   2HB   GLU  48          2HB       GLU  48   0.766  -8.564   3.383
  356   1HG   GLU  48          1HG       GLU  48   3.017  -8.034   2.047
  357   2HG   GLU  48          2HG       GLU  48   3.027  -9.789   1.864
  358    H    CYS  49           H        CYS  49   4.677  -8.831   2.995
  359    HA   CYS  49           HA       CYS  49   5.821 -10.886   4.844
  360   1HB   CYS  49          1HB       CYS  49   6.676 -11.904   2.950
  361   2HB   CYS  49          2HB       CYS  49   5.275 -11.102   2.257
  362    H    GLY  50           H        GLY  50   6.102  -7.904   5.225
  363   1HA   GLY  50          1HA       GLY  50   7.805  -6.343   5.673
  364   2HA   GLY  50          2HA       GLY  50   8.712  -7.764   6.192
  365    H    THR  51           H        THR  51  10.148  -8.749   4.664
  366    HA   THR  51           HA       THR  51  11.727  -8.720   2.914
  367    HB   THR  51           HB       THR  51   9.175  -7.595   1.795
  368    HG1  THR  51           1HG      THR  51   9.551  -9.492   0.455
  369   1HG2  THR  51          1HG2      THR  51  10.464  -6.339   0.362
  370   2HG2  THR  51          2HG2      THR  51  10.571  -7.886  -0.479
  371   3HG2  THR  51          3HG2      THR  51  11.885  -7.362   0.575
  372    HA   PRO  52           HA       PRO  52  13.488  -4.724   3.835
  373   1HB   PRO  52          1HB       PRO  52  15.956  -5.262   2.755
  374   2HB   PRO  52          2HB       PRO  52  15.452  -5.829   4.361
  375   1HG   PRO  52          1HG       PRO  52  15.497  -7.280   1.748
  376   2HG   PRO  52          2HG       PRO  52  15.973  -7.847   3.357
  377   1HD   PRO  52          1HD       PRO  52  13.590  -8.472   2.206
  378   2HD   PRO  52          2HD       PRO  52  13.795  -8.307   3.965
  379    H    LEU  53           H        LEU  53  11.966  -3.826   2.158
  380    HA   LEU  53           HA       LEU  53  12.377  -3.871  -0.629
  381   1HB   LEU  53          1HB       LEU  53  11.000  -2.326   1.426
  382   2HB   LEU  53          2HB       LEU  53  11.430  -1.330   0.035
  383    HG   LEU  53           HG       LEU  53  10.480  -3.626  -1.161
  384   1HD1  LEU  53          1HD1      LEU  53   8.772  -3.057   1.282
  385   2HD1  LEU  53          2HD1      LEU  53   9.769  -4.494   1.056
  386   3HD1  LEU  53          3HD1      LEU  53   8.392  -4.200  -0.006
  387   1HD2  LEU  53          1HD2      LEU  53   9.934  -1.259  -1.707
  388   2HD2  LEU  53          2HD2      LEU  53   8.873  -1.198  -0.302
  389   3HD2  LEU  53          3HD2      LEU  53   8.489  -2.268  -1.652
  390    H    ARG  54           H        ARG  54  12.877  -1.320  -1.559
  391    HA   ARG  54           HA       ARG  54  15.682  -0.802  -0.621
  392   1HB   ARG  54          1HB       ARG  54  14.536  -1.513  -3.172
  393   2HB   ARG  54          2HB       ARG  54  15.332   0.056  -3.297
  394   1HG   ARG  54          1HG       ARG  54  17.297  -1.044  -3.424
  395   2HG   ARG  54          2HG       ARG  54  17.059  -1.532  -1.746
  396   1HD   ARG  54          1HD       ARG  54  15.459  -3.180  -3.537
  397   2HD   ARG  54          2HD       ARG  54  17.181  -3.246  -3.964
  398    HE   ARG  54           HE       ARG  54  15.988  -4.272  -1.512
  399   1HH1  ARG  54          1HH2      ARG  54  18.803  -3.904  -3.313
  400   2HH1  ARG  54          2HH2      ARG  54  19.887  -4.048  -1.970
  401   1HH2  ARG  54          1HH1      ARG  54  17.370  -3.987   0.413
  402   2HH2  ARG  54          2HH1      ARG  54  19.077  -4.095   0.138
  403    H    LYS  55           H        LYS  55  12.903   0.761  -2.282
  404    HA   LYS  55           HA       LYS  55  13.154   3.140  -0.603
  405   1HB   LYS  55          1HB       LYS  55  13.523   4.465  -2.920
  406   2HB   LYS  55          2HB       LYS  55  14.873   3.921  -1.928
  407   1HG   LYS  55          1HG       LYS  55  15.195   3.309  -4.303
  408   2HG   LYS  55          2HG       LYS  55  15.065   1.878  -3.284
  409   1HD   LYS  55          1HD       LYS  55  13.679   1.460  -5.189
  410   2HD   LYS  55          2HD       LYS  55  12.578   1.853  -3.871
  411   1HE   LYS  55          1HE       LYS  55  11.714   3.448  -5.251
  412   2HE   LYS  55          2HE       LYS  55  13.233   4.337  -5.020
  413   1HZ   LYS  55          1HZ       LYS  55  12.596   2.309  -7.101
  414   2HZ   LYS  55          2HZ       LYS  55  14.177   2.843  -6.786
  415   3HZ   LYS  55          3HZ       LYS  55  13.003   3.937  -7.342
  416    H    SER  56           H        SER  56  10.873   2.177  -0.463
  417    HA   SER  56           HA       SER  56   8.589   2.206  -1.089
  418   1HB   SER  56          1HB       SER  56   7.897   4.411  -1.544
  419   2HB   SER  56          2HB       SER  56   9.461   4.649  -0.767
  420    HG   SER  56           HG       SER  56  10.078   5.582  -2.516
  421    H    ASN  57           H        ASN  57   9.763   0.470  -2.773
  422    HA   ASN  57           HA       ASN  57   9.326   1.364  -5.580
  423   1HB   ASN  57          1HB       ASN  57  10.343  -0.969  -5.994
  424   2HB   ASN  57          2HB       ASN  57  11.390   0.224  -5.222
  425   1HD2  ASN  57          1HD2      ASN  57   9.183  -2.508  -4.436
  426   2HD2  ASN  57          2HD2      ASN  57   9.986  -2.941  -3.007
  427    H    PHE  58           H        PHE  58   6.963   1.418  -5.462
  428    HA   PHE  58           HA       PHE  58   5.744  -1.320  -5.480
  429   1HB   PHE  58          1HB       PHE  58   4.598   1.299  -4.420
  430   2HB   PHE  58          2HB       PHE  58   3.748  -0.243  -4.428
  431    HD1  PHE  58           1HD      PHE  58   7.083   1.120  -3.333
  432    HD2  PHE  58           2HD      PHE  58   3.810  -1.544  -2.540
  433    HE1  PHE  58           1HE      PHE  58   8.161   0.424  -1.213
  434    HE2  PHE  58           2HE      PHE  58   4.883  -2.228  -0.415
  435    HZ   PHE  58           HZ       PHE  58   7.059  -1.246   0.248
  436    H    ARG  59           H        ARG  59   4.952  -1.769  -7.466
  437    HA   ARG  59           HA       ARG  59   4.587   0.383  -9.453
  438   1HB   ARG  59          1HB       ARG  59   4.108  -1.681 -10.904
  439   2HB   ARG  59          2HB       ARG  59   5.715  -1.581 -10.191
  440   1HG   ARG  59          1HG       ARG  59   5.257  -3.250  -8.608
  441   2HG   ARG  59          2HG       ARG  59   3.513  -2.998  -8.709
  442   1HD   ARG  59          1HD       ARG  59   4.141  -5.103  -9.852
  443   2HD   ARG  59          2HD       ARG  59   3.562  -3.922 -11.044
  444    HE   ARG  59           HE       ARG  59   6.467  -3.894 -10.484
  445   1HH1  ARG  59          1HH2      ARG  59   4.055  -5.574 -12.221
  446   2HH1  ARG  59          2HH2      ARG  59   4.938  -5.604 -13.710
  447   1HH2  ARG  59          1HH1      ARG  59   7.536  -3.642 -12.515
  448   2HH2  ARG  59          2HH1      ARG  59   6.910  -4.510 -13.877
  449    H    VAL  60           H        VAL  60   2.702   1.444  -9.292
  450    HA   VAL  60           HA       VAL  60   0.237   0.147  -8.355
  451    HB   VAL  60           HB       VAL  60   1.013   2.359  -7.622
  452   1HG1  VAL  60          1HG1      VAL  60   1.824   3.833  -9.120
  453   2HG1  VAL  60          2HG1      VAL  60   0.261   3.889  -9.936
  454   3HG1  VAL  60          3HG1      VAL  60   1.464   2.692 -10.416
  455   1HG2  VAL  60          1HG2      VAL  60  -1.144   3.027  -7.382
  456   2HG2  VAL  60          2HG2      VAL  60  -1.563   1.622  -8.362
  457   3HG2  VAL  60          3HG2      VAL  60  -1.365   3.200  -9.123
  458    H    GLN  61           H        GLN  61  -1.484  -0.398  -9.579
  459    HA   GLN  61           HA       GLN  61  -2.165   0.631 -12.160
  460   1HB   GLN  61          1HB       GLN  61  -1.381  -1.247 -13.544
  461   2HB   GLN  61          2HB       GLN  61  -0.012  -0.515 -12.707
  462   1HG   GLN  61          1HG       GLN  61   0.467  -2.560 -11.882
  463   2HG   GLN  61          2HG       GLN  61  -1.017  -2.455 -10.934
  464   1HE2  GLN  61          1HE2      GLN  61  -0.651  -4.986 -11.512
  465   2HE2  GLN  61          2HE2      GLN  61  -1.501  -5.516 -12.883
  466    H    LEU  62           H        LEU  62  -3.790  -1.043 -13.246
  467    HA   LEU  62           HA       LEU  62  -4.931  -3.137 -11.618
  468   1HB   LEU  62          1HB       LEU  62  -5.368  -0.667 -10.591
  469   2HB   LEU  62          2HB       LEU  62  -6.760  -0.793 -11.664
  470    HG   LEU  62           HG       LEU  62  -6.811  -3.253 -10.501
  471   1HD1  LEU  62          1HD1      LEU  62  -6.054  -1.407  -8.233
  472   2HD1  LEU  62          2HD1      LEU  62  -4.845  -2.401  -9.046
  473   3HD1  LEU  62          3HD1      LEU  62  -6.198  -3.165  -8.214
  474   1HD2  LEU  62          1HD2      LEU  62  -8.382  -0.978 -10.538
  475   2HD2  LEU  62          2HD2      LEU  62  -8.087  -1.208  -8.815
  476   3HD2  LEU  62          3HD2      LEU  62  -8.825  -2.500  -9.764
  477    H    PHE  63           H        PHE  63  -6.008  -4.402 -13.081
  478    HA   PHE  63           HA       PHE  63  -7.733  -3.190 -15.146
  479   1HB   PHE  63          1HB       PHE  63  -5.242  -3.228 -15.873
  480   2HB   PHE  63          2HB       PHE  63  -5.450  -4.975 -15.997
  481    HD1  PHE  63           1HD      PHE  63  -5.817  -5.681 -18.182
  482    HD2  PHE  63           2HD      PHE  63  -7.545  -1.975 -16.866
  483    HE1  PHE  63           1HE      PHE  63  -6.889  -5.394 -20.400
  484    HE2  PHE  63           2HE      PHE  63  -8.617  -1.688 -19.083
  485    HZ   PHE  63           HZ       PHE  63  -8.290  -3.397 -20.850
  486    H    GLU  64           H        GLU  64  -8.825  -4.982 -16.437
  487    HA   GLU  64           HA       GLU  64 -10.071  -6.913 -14.849
  488   1HB   GLU  64          1HB       GLU  64 -10.569  -7.995 -17.058
  489   2HB   GLU  64          2HB       GLU  64 -10.809  -6.248 -17.083
  490   1HG   GLU  64          1HG       GLU  64  -9.359  -6.122 -18.802
  491   2HG   GLU  64          2HG       GLU  64  -8.085  -6.696 -17.726
  492    H    ASP  65           H        ASP  65  -8.863  -8.315 -13.572
  493    HA   ASP  65           HA       ASP  65  -6.342  -9.385 -13.920
  494   1HB   ASP  65          1HB       ASP  65  -7.140 -11.207 -12.497
  495   2HB   ASP  65          2HB       ASP  65  -7.926  -9.708 -12.003
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1 -16.536  -4.578   1.772
    2   2H    MET   1          2HT       MET   1 -15.012  -5.166   1.306
    3   3H    MET   1          3HT       MET   1 -16.260  -5.034   0.162
    4    HA   MET   1           HA       MET   1 -15.925  -2.836  -0.171
    5   1HB   MET   1          1HB       MET   1 -15.344  -1.393   1.820
    6   2HB   MET   1          2HB       MET   1 -16.819  -2.337   2.029
    7   1HG   MET   1          1HG       MET   1 -14.870  -4.069   2.936
    8   2HG   MET   1          2HG       MET   1 -14.267  -2.503   3.477
    9   1HE   MET   1          1HE       MET   1 -15.619  -3.723   6.676
   10   2HE   MET   1          2HE       MET   1 -14.381  -3.992   5.451
   11   3HE   MET   1          3HE       MET   1 -15.748  -5.097   5.570
   12    H    ASP   2           H        ASP   2 -13.942  -4.910  -0.535
   13    HA   ASP   2           HA       ASP   2 -11.614  -3.518  -1.271
   14   1HB   ASP   2          1HB       ASP   2 -10.180  -4.246   0.785
   15   2HB   ASP   2          2HB       ASP   2 -11.216  -2.833   0.966
   16    H    ASP   3           H        ASP   3 -13.206  -5.834  -1.994
   17    HA   ASP   3           HA       ASP   3 -12.523  -8.395  -1.474
   18   1HB   ASP   3          1HB       ASP   3 -12.857  -6.852  -4.016
   19   2HB   ASP   3          2HB       ASP   3 -12.384  -8.548  -4.128
   20    H    GLN   4           H        GLN   4 -10.417  -8.598  -0.527
   21    HA   GLN   4           HA       GLN   4  -8.125  -9.165  -0.620
   22   1HB   GLN   4          1HB       GLN   4  -9.165 -10.242  -2.773
   23   2HB   GLN   4          2HB       GLN   4  -8.337  -8.935  -3.618
   24   1HG   GLN   4          1HG       GLN   4  -6.883 -10.898  -3.536
   25   2HG   GLN   4          2HG       GLN   4  -6.207  -9.628  -2.515
   26   1HE2  GLN   4          1HE2      GLN   4  -7.534 -12.862  -2.522
   27   2HE2  GLN   4          2HE2      GLN   4  -7.391 -13.140  -0.854
   28    H    GLY   5           H        GLY   5  -8.562  -7.104  -3.490
   29   1HA   GLY   5          1HA       GLY   5  -6.731  -5.494  -4.058
   30   2HA   GLY   5          2HA       GLY   5  -8.090  -4.646  -3.336
   31    H    CYS   6           H        CYS   6  -7.501  -3.235  -1.765
   32    HA   CYS   6           HA       CYS   6  -4.889  -2.963  -0.748
   33   1HB   CYS   6          1HB       CYS   6  -6.353  -1.123  -0.601
   34   2HB   CYS   6          2HB       CYS   6  -7.655  -2.091   0.064
   35    HA   PRO   7           HA       PRO   7  -5.060  -6.193   2.364
   36   1HB   PRO   7          1HB       PRO   7  -2.372  -6.190   2.859
   37   2HB   PRO   7          2HB       PRO   7  -3.096  -6.985   1.447
   38   1HG   PRO   7          1HG       PRO   7  -1.530  -4.502   1.625
   39   2HG   PRO   7          2HG       PRO   7  -1.792  -5.574   0.245
   40   1HD   PRO   7          1HD       PRO   7  -3.077  -3.087   0.809
   41   2HD   PRO   7          2HD       PRO   7  -3.383  -4.185  -0.548
   42    H    ARG   8           H        ARG   8  -3.461  -3.023   2.731
   43    HA   ARG   8           HA       ARG   8  -3.311  -3.243   5.671
   44   1HB   ARG   8          1HB       ARG   8  -1.765  -2.037   3.889
   45   2HB   ARG   8          2HB       ARG   8  -2.904  -0.708   4.102
   46   1HG   ARG   8          1HG       ARG   8  -1.816  -0.115   5.964
   47   2HG   ARG   8          2HG       ARG   8  -2.285  -1.654   6.696
   48   1HD   ARG   8          1HD       ARG   8  -0.277  -2.726   5.715
   49   2HD   ARG   8          2HD       ARG   8   0.176  -1.177   4.977
   50    HE   ARG   8           HE       ARG   8   0.634  -1.878   7.716
   51   1HH1  ARG   8          1HH1      ARG   8   0.657   0.669   5.553
   52   2HH1  ARG   8          2HH1      ARG   8   0.507   1.920   6.741
   53   1HH2  ARG   8          1HH2      ARG   8  -0.112  -0.272   9.356
   54   2HH2  ARG   8          2HH2      ARG   8   0.072   1.387   8.895
   55    H    CYS   9           H        CYS   9  -4.697  -0.700   3.612
   56    HA   CYS   9           HA       CYS   9  -6.767  -0.163   5.701
   57   1HB   CYS   9          1HB       CYS   9  -7.080   1.669   3.589
   58   2HB   CYS   9          2HB       CYS   9  -6.274   1.965   5.118
   59    H    LYS  10           H        LYS  10  -7.207  -2.548   4.337
   60    HA   LYS  10           HA       LYS  10  -8.449  -3.020   2.081
   61   1HB   LYS  10          1HB       LYS  10  -9.713  -4.647   3.164
   62   2HB   LYS  10          2HB       LYS  10  -8.498  -4.266   4.379
   63   1HG   LYS  10          1HG       LYS  10 -10.255  -2.502   5.197
   64   2HG   LYS  10          2HG       LYS  10 -11.402  -3.496   4.296
   65   1HD   LYS  10          1HD       LYS  10  -9.550  -4.447   6.509
   66   2HD   LYS  10          2HD       LYS  10 -11.300  -4.251   6.629
   67   1HE   LYS  10          1HE       LYS  10 -11.543  -6.369   5.852
   68   2HE   LYS  10          2HE       LYS  10 -10.767  -5.876   4.334
   69   1HZ   LYS  10          1HZ       LYS  10  -8.606  -6.128   5.480
   70   2HZ   LYS  10          2HZ       LYS  10  -9.458  -7.594   5.382
   71   3HZ   LYS  10          3HZ       LYS  10  -9.411  -6.731   6.845
   72    H    THR  11           H        THR  11  -9.152  -1.038   1.021
   73    HA   THR  11           HA       THR  11 -11.991  -0.656   1.146
   74    HB   THR  11           HB       THR  11 -10.696   0.461   3.267
   75    HG1  THR  11           1HG      THR  11 -12.853   0.335   3.263
   76   1HG2  THR  11          1HG2      THR  11  -9.480   2.167   2.106
   77   2HG2  THR  11          2HG2      THR  11 -10.859   2.978   2.846
   78   3HG2  THR  11          3HG2      THR  11 -10.881   2.606   1.122
   79    H    THR  12           H        THR  12  -9.117   1.345   0.567
   80    HA   THR  12           HA       THR  12  -9.706   3.148  -1.236
   81    HB   THR  12           HB       THR  12  -7.581   2.110  -2.497
   82    HG1  THR  12           1HG      THR  12  -7.287   1.042   0.059
   83   1HG2  THR  12          1HG2      THR  12  -8.109   3.519   0.057
   84   2HG2  THR  12          2HG2      THR  12  -7.276   4.092  -1.394
   85   3HG2  THR  12          3HG2      THR  12  -6.455   3.012  -0.273
   86    H    LYS  13           H        LYS  13  -8.509   0.444  -3.059
   87    HA   LYS  13           HA       LYS  13  -9.760   0.991  -5.418
   88   1HB   LYS  13          1HB       LYS  13  -9.403  -1.383  -5.892
   89   2HB   LYS  13          2HB       LYS  13  -8.084  -0.717  -4.969
   90   1HG   LYS  13          1HG       LYS  13  -8.617  -2.816  -3.937
   91   2HG   LYS  13          2HG       LYS  13  -9.276  -1.566  -2.878
   92   1HD   LYS  13          1HD       LYS  13 -11.375  -2.316  -3.193
   93   2HD   LYS  13          2HD       LYS  13 -11.168  -2.268  -4.950
   94   1HE   LYS  13          1HE       LYS  13  -9.707  -4.469  -4.447
   95   2HE   LYS  13          2HE       LYS  13 -10.804  -4.558  -3.055
   96   1HZ   LYS  13          1HZ       LYS  13 -11.493  -5.473  -5.427
   97   2HZ   LYS  13          2HZ       LYS  13 -11.931  -3.849  -5.667
   98   3HZ   LYS  13          3HZ       LYS  13 -12.625  -4.741  -4.398
   99    H    TYR  14           H        TYR  14 -11.333  -0.317  -2.558
  100    HA   TYR  14           HA       TYR  14 -13.802  -0.950  -4.063
  101   1HB   TYR  14          1HB       TYR  14 -12.729  -2.183  -1.998
  102   2HB   TYR  14          2HB       TYR  14 -13.543  -0.936  -1.054
  103    HD1  TYR  14           1HD      TYR  14 -13.912  -4.151  -2.357
  104    HD2  TYR  14           2HD      TYR  14 -16.062  -0.456  -1.985
  105    HE1  TYR  14           1HE      TYR  14 -16.053  -5.372  -2.629
  106    HE2  TYR  14           2HE      TYR  14 -18.205  -1.674  -2.254
  107    HH   TYR  14           HH       TYR  14 -19.005  -3.791  -3.228
  108    H    ARG  15           H        ARG  15 -12.842   1.263  -1.404
  109    HA   ARG  15           HA       ARG  15 -15.287   2.795  -1.373
  110   1HB   ARG  15          1HB       ARG  15 -12.484   3.791  -0.762
  111   2HB   ARG  15          2HB       ARG  15 -13.990   4.336  -0.036
  112   1HG   ARG  15          1HG       ARG  15 -12.782   1.594   0.325
  113   2HG   ARG  15          2HG       ARG  15 -12.729   2.886   1.501
  114   1HD   ARG  15          1HD       ARG  15 -14.545   1.564   2.178
  115   2HD   ARG  15          2HD       ARG  15 -15.310   2.877   1.263
  116    HE   ARG  15           HE       ARG  15 -14.514   0.446  -0.273
  117   1HH1  ARG  15          1HH1      ARG  15 -16.714   2.900  -0.183
  118   2HH1  ARG  15          2HH1      ARG  15 -18.133   1.924  -0.365
  119   1HH2  ARG  15          1HH2      ARG  15 -16.465  -1.069   0.147
  120   2HH2  ARG  15          2HH2      ARG  15 -17.991  -0.319  -0.177
  121    H    ASN  16           H        ASN  16 -12.082   3.587  -2.576
  122    HA   ASN  16           HA       ASN  16 -13.068   5.667  -4.416
  123   1HB   ASN  16          1HB       ASN  16 -10.602   4.650  -3.142
  124   2HB   ASN  16          2HB       ASN  16 -10.371   5.277  -4.775
  125   1HD2  ASN  16          1HD2      ASN  16  -9.077   6.670  -2.937
  126   2HD2  ASN  16          2HD2      ASN  16  -9.864   8.128  -2.549
  127    HA   PRO  17           HA       PRO  17 -12.690   2.605  -7.686
  128   1HB   PRO  17          1HB       PRO  17 -13.876   4.135  -9.631
  129   2HB   PRO  17          2HB       PRO  17 -14.796   3.367  -8.323
  130   1HG   PRO  17          1HG       PRO  17 -14.218   6.188  -8.777
  131   2HG   PRO  17          2HG       PRO  17 -15.367   5.452  -7.653
  132   1HD   PRO  17          1HD       PRO  17 -12.663   6.467  -7.141
  133   2HD   PRO  17          2HD       PRO  17 -13.950   6.050  -5.985
  134    H    SER  18           H        SER  18 -12.172   5.956  -8.857
  135    HA   SER  18           HA       SER  18 -10.515   5.536 -11.023
  136   1HB   SER  18          1HB       SER  18 -10.981   7.750 -10.729
  137   2HB   SER  18          2HB       SER  18 -10.911   7.630  -8.973
  138    HG   SER  18           HG       SER  18  -9.037   8.523  -9.178
  139    H    LEU  19           H        LEU  19  -9.443   5.645  -7.612
  140    HA   LEU  19           HA       LEU  19  -6.640   5.506  -8.045
  141   1HB   LEU  19          1HB       LEU  19  -6.589   5.012  -5.745
  142   2HB   LEU  19          2HB       LEU  19  -8.143   5.816  -5.930
  143    HG   LEU  19           HG       LEU  19  -7.633   2.822  -5.760
  144   1HD1  LEU  19          1HD1      LEU  19  -7.897   3.440  -3.578
  145   2HD1  LEU  19          2HD1      LEU  19  -9.598   3.434  -4.010
  146   3HD1  LEU  19          3HD1      LEU  19  -8.700   4.949  -3.990
  147   1HD2  LEU  19          1HD2      LEU  19  -9.315   3.354  -7.518
  148   2HD2  LEU  19          2HD2      LEU  19 -10.213   4.307  -6.351
  149   3HD2  LEU  19          3HD2      LEU  19 -10.040   2.572  -6.132
  150    H    LYS  20           H        LYS  20  -5.784   3.152  -6.749
  151    HA   LYS  20           HA       LYS  20  -6.953   0.745  -7.804
  152   1HB   LYS  20          1HB       LYS  20  -5.060   0.386  -9.523
  153   2HB   LYS  20          2HB       LYS  20  -6.310   1.550  -9.960
  154   1HG   LYS  20          1HG       LYS  20  -3.990   2.633  -8.457
  155   2HG   LYS  20          2HG       LYS  20  -3.665   2.100 -10.106
  156   1HD   LYS  20          1HD       LYS  20  -6.102   3.519 -10.222
  157   2HD   LYS  20          2HD       LYS  20  -5.029   4.485  -9.207
  158   1HE   LYS  20          1HE       LYS  20  -3.723   5.052 -10.987
  159   2HE   LYS  20          2HE       LYS  20  -3.689   3.382 -11.586
  160   1HZ   LYS  20          1HZ       LYS  20  -5.713   5.488 -12.024
  161   2HZ   LYS  20          2HZ       LYS  20  -6.169   3.853 -12.099
  162   3HZ   LYS  20          3HZ       LYS  20  -4.988   4.459 -13.159
  163    H    LEU  21           H        LEU  21  -4.646  -0.824  -8.097
  164    HA   LEU  21           HA       LEU  21  -3.293  -0.418  -5.453
  165   1HB   LEU  21          1HB       LEU  21  -4.788  -2.659  -6.681
  166   2HB   LEU  21          2HB       LEU  21  -3.308  -3.115  -5.836
  167    HG   LEU  21           HG       LEU  21  -4.070  -2.051  -3.800
  168   1HD1  LEU  21          1HD1      LEU  21  -6.124  -0.873  -5.636
  169   2HD1  LEU  21          2HD1      LEU  21  -5.219  -0.104  -4.331
  170   3HD1  LEU  21          3HD1      LEU  21  -6.575  -1.164  -3.958
  171   1HD2  LEU  21          1HD2      LEU  21  -5.936  -3.898  -5.228
  172   2HD2  LEU  21          2HD2      LEU  21  -6.466  -3.209  -3.693
  173   3HD2  LEU  21          3HD2      LEU  21  -4.990  -4.172  -3.765
  174    H    MET  22           H        MET  22  -1.148  -1.410  -5.330
  175    HA   MET  22           HA       MET  22   0.193  -1.680  -7.980
  176   1HB   MET  22          1HB       MET  22   1.879  -0.641  -5.838
  177   2HB   MET  22          2HB       MET  22   1.540   0.068  -7.403
  178   1HG   MET  22          1HG       MET  22  -0.655   0.891  -6.494
  179   2HG   MET  22          2HG       MET  22  -0.151   0.319  -4.905
  180   1HE   MET  22          1HE       MET  22   0.056   4.188  -4.717
  181   2HE   MET  22          2HE       MET  22  -0.935   2.751  -4.475
  182   3HE   MET  22          3HE       MET  22  -0.856   3.499  -6.067
  183    H    VAL  23           H        VAL  23   2.493  -2.665  -7.593
  184    HA   VAL  23           HA       VAL  23   2.349  -4.807  -5.505
  185    HB   VAL  23           HB       VAL  23   2.896  -5.016  -8.480
  186   1HG1  VAL  23          1HG1      VAL  23   4.522  -6.333  -7.037
  187   2HG1  VAL  23          2HG1      VAL  23   3.551  -7.304  -8.144
  188   3HG1  VAL  23          3HG1      VAL  23   3.132  -7.235  -6.432
  189   1HG2  VAL  23          1HG2      VAL  23   0.712  -5.579  -8.507
  190   2HG2  VAL  23          2HG2      VAL  23   0.627  -5.507  -6.747
  191   3HG2  VAL  23          3HG2      VAL  23   1.122  -7.000  -7.545
  192    H    ASN  24           H        ASN  24   4.451  -5.531  -4.803
  193    HA   ASN  24           HA       ASN  24   6.682  -3.704  -5.627
  194   1HB   ASN  24          1HB       ASN  24   7.492  -4.566  -3.236
  195   2HB   ASN  24          2HB       ASN  24   6.363  -3.220  -3.385
  196   1HD2  ASN  24          1HD2      ASN  24   5.312  -3.693  -1.332
  197   2HD2  ASN  24          2HD2      ASN  24   4.329  -5.061  -1.128
  198    H    VAL  25           H        VAL  25   8.870  -4.772  -5.106
  199    HA   VAL  25           HA       VAL  25   9.525  -6.830  -6.788
  200    HB   VAL  25           HB       VAL  25  11.222  -5.607  -5.671
  201   1HG1  VAL  25          1HG1      VAL  25  11.062  -4.918  -3.528
  202   2HG1  VAL  25          2HG1      VAL  25  10.892  -6.571  -2.942
  203   3HG1  VAL  25          3HG1      VAL  25   9.474  -5.678  -3.483
  204   1HG2  VAL  25          1HG2      VAL  25  11.354  -8.215  -4.180
  205   2HG2  VAL  25          2HG2      VAL  25  12.671  -7.288  -4.898
  206   3HG2  VAL  25          3HG2      VAL  25  11.543  -8.164  -5.932
  207    H    CYS  26           H        CYS  26   8.765  -7.349  -3.300
  208    HA   CYS  26           HA       CYS  26   8.833 -10.186  -3.360
  209   1HB   CYS  26          1HB       CYS  26   7.703  -9.993  -1.241
  210   2HB   CYS  26          2HB       CYS  26   8.724  -8.563  -1.388
  211    H    GLY  27           H        GLY  27   6.498  -7.952  -4.605
  212   1HA   GLY  27          1HA       GLY  27   4.838  -8.713  -6.236
  213   2HA   GLY  27          2HA       GLY  27   4.752 -10.247  -5.366
  214    H    HIS  28           H        HIS  28   3.183 -10.445  -3.820
  215    HA   HIS  28           HA       HIS  28   1.173  -9.851  -2.715
  216   1HB   HIS  28          1HB       HIS  28   3.356  -7.962  -1.819
  217   2HB   HIS  28          2HB       HIS  28   1.784  -7.998  -1.026
  218    HD2  HIS  28           2HD      HIS  28   1.604 -11.397  -1.552
  219    HE1  HIS  28           1HE      HIS  28   4.698 -11.452   1.293
  220    HE2  HIS  28           2HE      HIS  28   2.942 -12.846   0.139
  221    H    THR  29           H        THR  29   0.998  -6.755  -1.996
  222    HA   THR  29           HA       THR  29   0.530  -5.372  -4.464
  223    HB   THR  29           HB       THR  29  -1.518  -7.232  -3.379
  224    HG1  THR  29           1HG      THR  29  -1.374  -7.806  -5.373
  225   1HG2  THR  29          1HG2      THR  29  -3.358  -5.828  -4.425
  226   2HG2  THR  29          2HG2      THR  29  -2.215  -4.486  -4.471
  227   3HG2  THR  29          3HG2      THR  29  -2.704  -5.175  -2.923
  228    H    LEU  30           H        LEU  30   0.040  -3.226  -4.004
  229    HA   LEU  30           HA       LEU  30  -0.732  -2.561  -1.182
  230   1HB   LEU  30          1HB       LEU  30   1.589  -1.892  -2.785
  231   2HB   LEU  30          2HB       LEU  30   0.760  -0.447  -2.248
  232    HG   LEU  30           HG       LEU  30   0.982  -1.012   0.007
  233   1HD1  LEU  30          1HD1      LEU  30   2.155  -3.425   0.390
  234   2HD1  LEU  30          2HD1      LEU  30   1.257  -3.774  -1.079
  235   3HD1  LEU  30          3HD1      LEU  30   0.405  -3.221   0.362
  236   1HD2  LEU  30          1HD2      LEU  30   3.520  -2.167  -1.174
  237   2HD2  LEU  30          2HD2      LEU  30   3.341  -1.251   0.321
  238   3HD2  LEU  30          3HD2      LEU  30   3.152  -0.444  -1.234
  239    H    CYS  31           H        CYS  31  -2.317  -0.964  -1.025
  240    HA   CYS  31           HA       CYS  31  -3.498  -0.125  -3.600
  241   1HB   CYS  31          1HB       CYS  31  -5.413  -0.001  -2.404
  242   2HB   CYS  31          2HB       CYS  31  -4.570  -1.040  -1.320
  243    H    GLU  32           H        GLU  32  -4.552   2.225  -3.137
  244    HA   GLU  32           HA       GLU  32  -2.322   4.072  -3.290
  245   1HB   GLU  32          1HB       GLU  32  -4.399   5.738  -2.800
  246   2HB   GLU  32          2HB       GLU  32  -4.111   5.013  -4.378
  247   1HG   GLU  32          1HG       GLU  32  -5.769   3.549  -2.371
  248   2HG   GLU  32          2HG       GLU  32  -6.484   4.849  -3.324
  249    H    SER  33           H        SER  33  -4.842   3.548  -0.841
  250    HA   SER  33           HA       SER  33  -3.792   5.257   1.177
  251   1HB   SER  33          1HB       SER  33  -5.595   2.794   1.266
  252   2HB   SER  33          2HB       SER  33  -5.330   3.895   2.629
  253    HG   SER  33           HG       SER  33  -6.953   4.902   1.751
  254    H    CYS  34           H        CYS  34  -2.589   2.187   0.064
  255    HA   CYS  34           HA       CYS  34  -1.416   1.495   2.705
  256   1HB   CYS  34          1HB       CYS  34  -1.346   0.331  -0.097
  257   2HB   CYS  34          2HB       CYS  34  -0.214  -0.188   1.144
  258    H    VAL  35           H        VAL  35   0.004   1.733  -0.496
  259    HA   VAL  35           HA       VAL  35   2.632   2.271   0.011
  260    HB   VAL  35           HB       VAL  35   0.612   3.295  -1.976
  261   1HG1  VAL  35          1HG1      VAL  35   2.335   4.302  -3.297
  262   2HG1  VAL  35          2HG1      VAL  35   3.585   3.761  -2.176
  263   3HG1  VAL  35          3HG1      VAL  35   2.433   5.003  -1.683
  264   1HG2  VAL  35          1HG2      VAL  35   1.210   1.463  -3.148
  265   2HG2  VAL  35          2HG2      VAL  35   1.982   0.913  -1.663
  266   3HG2  VAL  35          3HG2      VAL  35   2.926   1.760  -2.886
  267    H    ASP  36           H        ASP  36  -0.092   4.457   0.521
  268    HA   ASP  36           HA       ASP  36   1.507   6.848   0.910
  269   1HB   ASP  36          1HB       ASP  36  -0.555   7.773   0.804
  270   2HB   ASP  36          2HB       ASP  36  -1.170   6.148   0.529
  271    H    LEU  37           H        LEU  37  -0.213   4.687   3.256
  272    HA   LEU  37           HA       LEU  37   1.191   6.038   5.480
  273   1HB   LEU  37          1HB       LEU  37  -1.156   4.404   5.025
  274   2HB   LEU  37          2HB       LEU  37  -0.202   3.741   6.352
  275    HG   LEU  37           HG       LEU  37  -1.828   5.407   7.177
  276   1HD1  LEU  37          1HD1      LEU  37   0.781   6.843   7.386
  277   2HD1  LEU  37          2HD1      LEU  37   0.724   5.171   7.947
  278   3HD1  LEU  37          3HD1      LEU  37  -0.350   6.377   8.657
  279   1HD2  LEU  37          1HD2      LEU  37  -1.100   7.866   6.487
  280   2HD2  LEU  37          2HD2      LEU  37  -2.217   6.945   5.479
  281   3HD2  LEU  37          3HD2      LEU  37  -0.512   7.046   5.039
  282    H    LEU  38           H        LEU  38   1.123   2.868   3.934
  283    HA   LEU  38           HA       LEU  38   2.703   1.262   5.495
  284   1HB   LEU  38          1HB       LEU  38   1.621   0.873   3.241
  285   2HB   LEU  38          2HB       LEU  38   3.016   1.651   2.510
  286    HG   LEU  38           HG       LEU  38   3.198  -0.835   2.522
  287   1HD1  LEU  38          1HD1      LEU  38   5.164   0.982   3.107
  288   2HD1  LEU  38          2HD1      LEU  38   5.447  -0.728   2.816
  289   3HD1  LEU  38          3HD1      LEU  38   5.300  -0.125   4.466
  290   1HD2  LEU  38          1HD2      LEU  38   1.976  -0.878   4.840
  291   2HD2  LEU  38          2HD2      LEU  38   3.593  -0.664   5.503
  292   3HD2  LEU  38          3HD2      LEU  38   3.226  -2.074   4.513
  293    H    PHE  39           H        PHE  39   4.122   3.328   2.921
  294    HA   PHE  39           HA       PHE  39   6.795   2.901   4.061
  295   1HB   PHE  39          1HB       PHE  39   5.846   4.447   1.640
  296   2HB   PHE  39          2HB       PHE  39   7.498   3.897   1.950
  297    HD1  PHE  39           1HD      PHE  39   4.045   2.845   1.162
  298    HD2  PHE  39           2HD      PHE  39   8.093   1.538   1.756
  299    HE1  PHE  39           1HE      PHE  39   3.445   0.615   0.297
  300    HE2  PHE  39           2HE      PHE  39   7.501  -0.704   0.867
  301    HZ   PHE  39           HZ       PHE  39   5.172  -1.174   0.145
  302    H    VAL  40           H        VAL  40   4.448   5.529   4.171
  303    HA   VAL  40           HA       VAL  40   6.373   7.649   4.554
  304    HB   VAL  40           HB       VAL  40   4.422   8.793   5.669
  305   1HG1  VAL  40          1HG1      VAL  40   4.045   7.414   3.008
  306   2HG1  VAL  40          2HG1      VAL  40   4.684   9.032   3.302
  307   3HG1  VAL  40          3HG1      VAL  40   2.979   8.689   3.599
  308   1HG2  VAL  40          1HG2      VAL  40   3.444   6.776   6.691
  309   2HG2  VAL  40          2HG2      VAL  40   3.053   6.153   5.092
  310   3HG2  VAL  40          3HG2      VAL  40   2.270   7.616   5.681
  311    H    ARG  41           H        ARG  41   5.430   5.023   6.570
  312    HA   ARG  41           HA       ARG  41   6.238   6.349   9.086
  313   1HB   ARG  41          1HB       ARG  41   5.907   3.392   8.907
  314   2HB   ARG  41          2HB       ARG  41   5.263   4.518  10.097
  315   1HG   ARG  41          1HG       ARG  41   3.890   5.287   7.861
  316   2HG   ARG  41          2HG       ARG  41   4.074   3.556   7.575
  317   1HD   ARG  41          1HD       ARG  41   2.814   4.896   9.992
  318   2HD   ARG  41          2HD       ARG  41   2.037   3.800   8.832
  319    HE   ARG  41           HE       ARG  41   3.906   3.023  10.983
  320   1HH1  ARG  41          1HH2      ARG  41   4.936   1.653   8.585
  321   2HH1  ARG  41          2HH2      ARG  41   3.990   0.205   8.524
  322   1HH2  ARG  41          1HH1      ARG  41   1.545   1.396  10.676
  323   2HH2  ARG  41          2HH1      ARG  41   2.070   0.059   9.708
  324    H    GLY  42           H        GLY  42   7.868   5.100   6.479
  325   1HA   GLY  42          1HA       GLY  42  10.436   5.210   7.473
  326   2HA   GLY  42          2HA       GLY  42   9.917   3.573   7.877
  327    H    ALA  43           H        ALA  43   8.159   3.559   5.379
  328    HA   ALA  43           HA       ALA  43   8.420   2.793   3.149
  329   1HB   ALA  43          1HB       ALA  43   9.062   4.836   2.350
  330   2HB   ALA  43          2HB       ALA  43  10.655   4.087   2.226
  331   3HB   ALA  43          3HB       ALA  43  10.247   5.065   3.636
  332    H    GLY  44           H        GLY  44   9.032   0.637   3.099
  333   1HA   GLY  44          1HA       GLY  44  11.102  -0.623   2.230
  334   2HA   GLY  44          2HA       GLY  44  11.891   0.008   3.673
  335    H    ASN  45           H        ASN  45   8.525  -1.058   3.640
  336    HA   ASN  45           HA       ASN  45   9.209  -3.670   4.836
  337   1HB   ASN  45          1HB       ASN  45   8.670  -1.258   6.341
  338   2HB   ASN  45          2HB       ASN  45   7.471  -2.494   6.708
  339   1HD2  ASN  45          1HD2      ASN  45  10.804  -3.265   5.724
  340   2HD2  ASN  45          2HD2      ASN  45  11.276  -3.909   7.223
  341    H    CYS  46           H        CYS  46   7.906  -4.556   3.162
  342    HA   CYS  46           HA       CYS  46   5.423  -3.896   2.158
  343   1HB   CYS  46          1HB       CYS  46   6.927  -5.931   1.784
  344   2HB   CYS  46          2HB       CYS  46   6.160  -6.644   3.197
  345    HA   PRO  47           HA       PRO  47   2.739  -3.646   5.660
  346   1HB   PRO  47          1HB       PRO  47   0.365  -4.033   4.317
  347   2HB   PRO  47          2HB       PRO  47   1.263  -2.515   4.318
  348   1HG   PRO  47          1HG       PRO  47   1.225  -4.695   2.284
  349   2HG   PRO  47          2HG       PRO  47   1.140  -2.938   2.059
  350   1HD   PRO  47          1HD       PRO  47   3.427  -4.329   1.692
  351   2HD   PRO  47          2HD       PRO  47   3.429  -2.671   2.342
  352    H    GLU  48           H        GLU  48   3.259  -6.397   3.763
  353    HA   GLU  48           HA       GLU  48   1.803  -8.081   5.769
  354   1HB   GLU  48          1HB       GLU  48   1.025  -9.454   3.992
  355   2HB   GLU  48          2HB       GLU  48   0.794  -7.801   3.433
  356   1HG   GLU  48          1HG       GLU  48   3.370  -8.344   2.619
  357   2HG   GLU  48          2HG       GLU  48   2.568  -9.900   2.395
  358    H    CYS  49           H        CYS  49   4.712  -7.735   3.740
  359    HA   CYS  49           HA       CYS  49   5.918  -9.943   5.344
  360   1HB   CYS  49          1HB       CYS  49   6.542 -11.118   3.449
  361   2HB   CYS  49          2HB       CYS  49   5.042 -10.394   2.891
  362    H    GLY  50           H        GLY  50   6.137  -7.129   5.727
  363   1HA   GLY  50          1HA       GLY  50   7.818  -5.337   5.144
  364   2HA   GLY  50          2HA       GLY  50   8.242  -6.159   6.638
  365    H    THR  51           H        THR  51   8.800  -6.325   3.121
  366    HA   THR  51           HA       THR  51  11.211  -7.956   3.441
  367    HB   THR  51           HB       THR  51   9.542  -7.889   1.496
  368    HG1  THR  51           1HG      THR  51  11.471  -7.749  -0.049
  369   1HG2  THR  51          1HG2      THR  51  10.247  -5.160   1.564
  370   2HG2  THR  51          2HG2      THR  51   9.219  -5.967   0.380
  371   3HG2  THR  51          3HG2      THR  51  10.949  -5.805   0.080
  372    HA   PRO  52           HA       PRO  52  14.044  -4.651   4.071
  373   1HB   PRO  52          1HB       PRO  52  16.254  -5.628   2.762
  374   2HB   PRO  52          2HB       PRO  52  15.713  -6.227   4.344
  375   1HG   PRO  52          1HG       PRO  52  15.272  -7.367   1.615
  376   2HG   PRO  52          2HG       PRO  52  15.686  -8.195   3.125
  377   1HD   PRO  52          1HD       PRO  52  13.166  -8.132   2.115
  378   2HD   PRO  52          2HD       PRO  52  13.497  -8.191   3.860
  379    H    LEU  53           H        LEU  53  12.585  -3.378   2.528
  380    HA   LEU  53           HA       LEU  53  13.461  -3.149  -0.266
  381   1HB   LEU  53          1HB       LEU  53  11.282  -2.300   1.513
  382   2HB   LEU  53          2HB       LEU  53  11.723  -1.076   0.321
  383    HG   LEU  53           HG       LEU  53  11.075  -3.978  -0.296
  384   1HD1  LEU  53          1HD1      LEU  53   8.990  -3.148  -1.194
  385   2HD1  LEU  53          2HD1      LEU  53   9.476  -1.477  -0.906
  386   3HD1  LEU  53          3HD1      LEU  53   9.140  -2.545   0.456
  387   1HD2  LEU  53          1HD2      LEU  53  11.042  -1.941  -2.427
  388   2HD2  LEU  53          2HD2      LEU  53  11.729  -3.565  -2.437
  389   3HD2  LEU  53          3HD2      LEU  53  12.638  -2.226  -1.736
  390    H    ARG  54           H        ARG  54  13.021  -0.618   2.227
  391    HA   ARG  54           HA       ARG  54  14.423   1.184   2.833
  392   1HB   ARG  54          1HB       ARG  54  16.536   0.412   3.077
  393   2HB   ARG  54          2HB       ARG  54  16.061  -1.008   2.152
  394   1HG   ARG  54          1HG       ARG  54  16.698   0.138   0.057
  395   2HG   ARG  54          2HG       ARG  54  17.166   1.565   0.980
  396   1HD   ARG  54          1HD       ARG  54  19.117   0.076   0.399
  397   2HD   ARG  54          2HD       ARG  54  18.900   0.271   2.151
  398    HE   ARG  54           HE       ARG  54  17.842  -1.950   2.187
  399   1HH1  ARG  54          1HH1      ARG  54  20.505  -2.072   0.532
  400   2HH1  ARG  54          2HH1      ARG  54  20.016  -3.165  -0.719
  401   1HH2  ARG  54          1HH2      ARG  54  16.633  -2.882  -0.010
  402   2HH2  ARG  54          2HH2      ARG  54  17.823  -3.624  -1.025
  403    H    LYS  55           H        LYS  55  13.315   0.526  -0.205
  404    HA   LYS  55           HA       LYS  55  14.245   3.190  -1.209
  405   1HB   LYS  55          1HB       LYS  55  14.515   2.096  -3.440
  406   2HB   LYS  55          2HB       LYS  55  15.597   1.419  -2.224
  407   1HG   LYS  55          1HG       LYS  55  14.671  -0.479  -3.301
  408   2HG   LYS  55          2HG       LYS  55  13.732  -0.325  -1.815
  409   1HD   LYS  55          1HD       LYS  55  11.837  -0.063  -3.003
  410   2HD   LYS  55          2HD       LYS  55  12.541   1.300  -3.875
  411   1HE   LYS  55          1HE       LYS  55  11.939  -0.434  -5.491
  412   2HE   LYS  55          2HE       LYS  55  13.709  -0.377  -5.375
  413   1HZ   LYS  55          1HZ       LYS  55  13.329  -2.053  -3.463
  414   2HZ   LYS  55          2HZ       LYS  55  13.241  -2.618  -5.064
  415   3HZ   LYS  55          3HZ       LYS  55  11.818  -2.313  -4.188
  416    H    SER  56           H        SER  56  11.635   1.275  -0.409
  417    HA   SER  56           HA       SER  56   9.324   1.487  -0.861
  418   1HB   SER  56          1HB       SER  56   9.015   3.716  -0.676
  419   2HB   SER  56          2HB       SER  56  10.635   4.027  -1.295
  420    HG   SER  56           HG       SER  56   8.797   4.839  -2.576
  421    H    ASN  57           H        ASN  57   8.141   0.451  -2.440
  422    HA   ASN  57           HA       ASN  57   8.735   0.867  -5.305
  423   1HB   ASN  57          1HB       ASN  57   9.225  -1.560  -5.615
  424   2HB   ASN  57          2HB       ASN  57  10.393  -0.790  -4.539
  425   1HD2  ASN  57          1HD2      ASN  57  10.015  -3.561  -4.357
  426   2HD2  ASN  57          2HD2      ASN  57   9.210  -3.933  -2.908
  427    H    PHE  58           H        PHE  58   6.729   0.898  -6.282
  428    HA   PHE  58           HA       PHE  58   4.701  -1.113  -5.554
  429   1HB   PHE  58          1HB       PHE  58   3.492   1.533  -5.401
  430   2HB   PHE  58          2HB       PHE  58   3.412   0.222  -4.223
  431    HD1  PHE  58           1HD      PHE  58   4.616   0.309  -2.232
  432    HD2  PHE  58           2HD      PHE  58   5.590   3.020  -5.412
  433    HE1  PHE  58           1HE      PHE  58   6.121   1.551  -0.726
  434    HE2  PHE  58           2HE      PHE  58   7.105   4.261  -3.887
  435    HZ   PHE  58           HZ       PHE  58   7.364   3.513  -1.532
  436    H    ARG  59           H        ARG  59   4.468  -1.733  -7.713
  437    HA   ARG  59           HA       ARG  59   4.109   0.340  -9.810
  438   1HB   ARG  59          1HB       ARG  59   3.763  -1.929 -11.158
  439   2HB   ARG  59          2HB       ARG  59   5.372  -1.419 -10.664
  440   1HG   ARG  59          1HG       ARG  59   5.418  -2.949  -8.843
  441   2HG   ARG  59          2HG       ARG  59   3.673  -3.210  -8.922
  442   1HD   ARG  59          1HD       ARG  59   3.843  -4.670 -10.719
  443   2HD   ARG  59          2HD       ARG  59   5.301  -3.877 -11.352
  444    HE   ARG  59           HE       ARG  59   5.293  -5.571  -8.870
  445   1HH1  ARG  59          1HH2      ARG  59   7.491  -3.600 -10.120
  446   2HH1  ARG  59          2HH2      ARG  59   8.627  -4.795 -10.651
  447   1HH2  ARG  59          1HH1      ARG  59   6.426  -7.446 -10.254
  448   2HH2  ARG  59          2HH1      ARG  59   8.023  -6.973 -10.727
  449    H    VAL  60           H        VAL  60   2.118   1.259  -9.582
  450    HA   VAL  60           HA       VAL  60  -0.228  -0.279  -8.757
  451    HB   VAL  60           HB       VAL  60   0.212   1.928  -7.902
  452   1HG1  VAL  60          1HG1      VAL  60   1.057   2.445 -10.532
  453   2HG1  VAL  60          2HG1      VAL  60   0.993   3.601  -9.202
  454   3HG1  VAL  60          3HG1      VAL  60  -0.373   3.452 -10.308
  455   1HG2  VAL  60          1HG2      VAL  60  -2.022   2.164  -7.811
  456   2HG2  VAL  60          2HG2      VAL  60  -2.206   1.165  -9.252
  457   3HG2  VAL  60          3HG2      VAL  60  -1.990   2.908  -9.410
  458    H    GLN  61           H        GLN  61  -2.075  -0.630  -9.872
  459    HA   GLN  61           HA       GLN  61  -2.766   0.279 -12.483
  460   1HB   GLN  61          1HB       GLN  61  -2.173  -1.808 -13.730
  461   2HB   GLN  61          2HB       GLN  61  -0.743  -0.982 -13.112
  462   1HG   GLN  61          1HG       GLN  61  -0.547  -2.525 -11.280
  463   2HG   GLN  61          2HG       GLN  61  -2.132  -3.222 -11.619
  464   1HE2  GLN  61          1HE2      GLN  61  -2.043  -5.136 -12.807
  465   2HE2  GLN  61          2HE2      GLN  61  -0.781  -5.581 -13.850
  466    H    LEU  62           H        LEU  62  -4.842  -0.665 -13.083
  467    HA   LEU  62           HA       LEU  62  -5.926  -2.762 -11.247
  468   1HB   LEU  62          1HB       LEU  62  -6.338  -0.048 -10.919
  469   2HB   LEU  62          2HB       LEU  62  -7.759  -0.537 -11.835
  470    HG   LEU  62           HG       LEU  62  -8.214  -2.312 -10.169
  471   1HD1  LEU  62          1HD1      LEU  62  -5.520  -1.788  -9.424
  472   2HD1  LEU  62          2HD1      LEU  62  -6.610  -2.992  -8.743
  473   3HD1  LEU  62          3HD1      LEU  62  -6.527  -1.376  -8.039
  474   1HD2  LEU  62          1HD2      LEU  62  -8.309  -0.506  -8.132
  475   2HD2  LEU  62          2HD2      LEU  62  -9.463  -0.529  -9.467
  476   3HD2  LEU  62          3HD2      LEU  62  -8.088   0.575  -9.508
  477    H    PHE  63           H        PHE  63  -6.639  -4.328 -12.650
  478    HA   PHE  63           HA       PHE  63  -8.293  -3.472 -14.987
  479   1HB   PHE  63          1HB       PHE  63  -5.682  -4.131 -15.247
  480   2HB   PHE  63          2HB       PHE  63  -6.397  -5.741 -15.342
  481    HD1  PHE  63           1HD      PHE  63  -4.984  -4.086 -17.588
  482    HD2  PHE  63           2HD      PHE  63  -9.098  -4.685 -16.508
  483    HE1  PHE  63           1HE      PHE  63  -5.663  -3.641 -19.931
  484    HE2  PHE  63           2HE      PHE  63  -9.777  -4.241 -18.851
  485    HZ   PHE  63           HZ       PHE  63  -8.060  -3.719 -20.562
  486    H    GLU  64           H        GLU  64  -8.731  -4.808 -12.260
  487    HA   GLU  64           HA       GLU  64 -10.655  -6.796 -13.156
  488   1HB   GLU  64          1HB       GLU  64  -8.312  -7.851 -13.342
  489   2HB   GLU  64          2HB       GLU  64  -8.285  -7.819 -11.578
  490   1HG   GLU  64          1HG       GLU  64  -9.186  -9.930 -11.959
  491   2HG   GLU  64          2HG       GLU  64 -10.657  -8.964 -11.843
  492    H    ASP  65           H        ASP  65 -12.249  -6.820 -11.605
  493    HA   ASP  65           HA       ASP  65 -11.652  -5.602  -8.955
  494   1HB   ASP  65          1HB       ASP  65 -14.174  -6.277 -10.497
  495   2HB   ASP  65          2HB       ASP  65 -14.191  -5.595  -8.869
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  -7.246  -7.348  -6.497
    2   2H    MET   1          2HT       MET   1  -6.505  -6.148  -7.443
    3   3H    MET   1          3HT       MET   1  -6.743  -7.705  -8.077
    4    HA   MET   1           HA       MET   1  -8.458  -6.479  -9.054
    5   1HB   MET   1          1HB       MET   1  -9.501  -7.689  -6.471
    6   2HB   MET   1          2HB       MET   1 -10.411  -7.483  -7.968
    7   1HG   MET   1          1HG       MET   1  -8.076  -8.851  -8.718
    8   2HG   MET   1          2HG       MET   1  -8.582  -9.609  -7.209
    9   1HE   MET   1          1HE       MET   1 -11.050  -7.792  -9.752
   10   2HE   MET   1          2HE       MET   1 -11.128  -9.046 -10.986
   11   3HE   MET   1          3HE       MET   1  -9.583  -8.294 -10.601
   12    H    ASP   2           H        ASP   2 -10.822  -5.687  -7.451
   13    HA   ASP   2           HA       ASP   2  -9.801  -3.173  -6.175
   14   1HB   ASP   2          1HB       ASP   2 -11.529  -1.953  -7.397
   15   2HB   ASP   2          2HB       ASP   2 -10.552  -2.870  -8.546
   16    H    ASP   3           H        ASP   3 -10.609  -5.491  -4.737
   17    HA   ASP   3           HA       ASP   3 -13.027  -4.421  -3.358
   18   1HB   ASP   3          1HB       ASP   3 -13.707  -6.115  -5.059
   19   2HB   ASP   3          2HB       ASP   3 -12.649  -7.291  -4.278
   20    H    GLN   4           H        GLN   4 -11.191  -7.476  -3.118
   21    HA   GLN   4           HA       GLN   4 -10.712  -6.892  -0.235
   22   1HB   GLN   4          1HB       GLN   4 -11.795  -9.017  -1.076
   23   2HB   GLN   4          2HB       GLN   4 -10.265  -9.420  -1.855
   24   1HG   GLN   4          1HG       GLN   4  -9.231  -9.035   0.506
   25   2HG   GLN   4          2HG       GLN   4 -10.888  -9.203   1.087
   26   1HE2  GLN   4          1HE2      GLN   4 -11.592 -11.325   1.430
   27   2HE2  GLN   4          2HE2      GLN   4 -10.837 -12.710   0.800
   28    H    GLY   5           H        GLY   5  -9.134  -5.414  -2.121
   29   1HA   GLY   5          1HA       GLY   5  -6.503  -6.788  -2.150
   30   2HA   GLY   5          2HA       GLY   5  -6.891  -5.293  -3.005
   31    H    CYS   6           H        CYS   6  -7.066  -3.310  -1.715
   32    HA   CYS   6           HA       CYS   6  -5.067  -2.574  -0.095
   33   1HB   CYS   6          1HB       CYS   6  -6.680  -0.982  -0.701
   34   2HB   CYS   6          2HB       CYS   6  -8.005  -1.945  -0.091
   35    HA   PRO   7           HA       PRO   7  -5.771  -5.354   3.446
   36   1HB   PRO   7          1HB       PRO   7  -3.125  -5.562   4.104
   37   2HB   PRO   7          2HB       PRO   7  -3.896  -6.582   2.874
   38   1HG   PRO   7          1HG       PRO   7  -2.143  -4.200   2.559
   39   2HG   PRO   7          2HG       PRO   7  -2.254  -5.660   1.566
   40   1HD   PRO   7          1HD       PRO   7  -3.379  -3.215   0.931
   41   2HD   PRO   7          2HD       PRO   7  -3.895  -4.773   0.265
   42    H    ARG   8           H        ARG   8  -3.240  -2.801   3.416
   43    HA   ARG   8           HA       ARG   8  -3.195  -2.132   6.144
   44   1HB   ARG   8          1HB       ARG   8  -1.922  -1.349   3.915
   45   2HB   ARG   8          2HB       ARG   8  -2.986   0.041   4.104
   46   1HG   ARG   8          1HG       ARG   8  -2.108  -0.163   6.640
   47   2HG   ARG   8          2HG       ARG   8  -0.723  -0.857   5.806
   48   1HD   ARG   8          1HD       ARG   8  -0.599   1.642   6.128
   49   2HD   ARG   8          2HD       ARG   8  -0.474   1.122   4.436
   50    HE   ARG   8           HE       ARG   8  -2.651   2.028   4.061
   51   1HH1  ARG   8          1HH1      ARG   8  -3.679   0.755   6.726
   52   2HH1  ARG   8          2HH1      ARG   8  -4.246   2.179   7.527
   53   1HH2  ARG   8          1HH2      ARG   8  -2.650   4.361   5.362
   54   2HH2  ARG   8          2HH2      ARG   8  -3.666   4.218   6.756
   55    H    CYS   9           H        CYS   9  -5.128  -0.368   3.642
   56    HA   CYS   9           HA       CYS   9  -6.898   0.571   5.898
   57   1HB   CYS   9          1HB       CYS   9  -7.341   2.240   3.703
   58   2HB   CYS   9          2HB       CYS   9  -6.362   2.621   5.108
   59    H    LYS  10           H        LYS  10  -7.392  -1.933   4.568
   60    HA   LYS  10           HA       LYS  10  -8.830  -2.454   2.463
   61   1HB   LYS  10          1HB       LYS  10  -9.991  -4.041   3.673
   62   2HB   LYS  10          2HB       LYS  10  -8.761  -3.584   4.845
   63   1HG   LYS  10          1HG       LYS  10 -10.474  -1.860   5.703
   64   2HG   LYS  10          2HG       LYS  10 -11.662  -2.764   4.759
   65   1HD   LYS  10          1HD       LYS  10  -9.865  -3.931   6.909
   66   2HD   LYS  10          2HD       LYS  10 -11.580  -3.566   7.098
   67   1HE   LYS  10          1HE       LYS  10 -11.595  -5.105   4.815
   68   2HE   LYS  10          2HE       LYS  10 -10.287  -5.854   5.751
   69   1HZ   LYS  10          1HZ       LYS  10 -12.443  -6.755   6.399
   70   2HZ   LYS  10          2HZ       LYS  10 -13.017  -5.194   6.749
   71   3HZ   LYS  10          3HZ       LYS  10 -11.769  -5.872   7.680
   72    H    THR  11           H        THR  11  -9.561  -0.569   1.328
   73    HA   THR  11           HA       THR  11 -12.379  -0.033   1.669
   74    HB   THR  11           HB       THR  11 -10.922   1.150   3.574
   75    HG1  THR  11           1HG      THR  11 -12.994   1.537   3.724
   76   1HG2  THR  11          1HG2      THR  11 -10.821   3.093   1.247
   77   2HG2  THR  11          2HG2      THR  11  -9.453   2.431   2.147
   78   3HG2  THR  11          3HG2      THR  11 -10.562   3.557   2.928
   79    H    THR  12           H        THR  12  -9.386   1.529   0.564
   80    HA   THR  12           HA       THR  12 -10.151   3.218  -1.410
   81    HB   THR  12           HB       THR  12  -7.966   2.498  -2.451
   82    HG1  THR  12           1HG      THR  12  -8.495   0.277  -1.308
   83   1HG2  THR  12          1HG2      THR  12  -7.925   4.211  -0.889
   84   2HG2  THR  12          2HG2      THR  12  -6.855   3.006  -0.181
   85   3HG2  THR  12          3HG2      THR  12  -8.506   3.166   0.408
   86    H    LYS  13           H        LYS  13  -8.606   0.986  -3.358
   87    HA   LYS  13           HA       LYS  13 -10.052   0.909  -5.569
   88   1HB   LYS  13          1HB       LYS  13  -9.124  -1.192  -6.018
   89   2HB   LYS  13          2HB       LYS  13  -8.113  -0.579  -4.723
   90   1HG   LYS  13          1HG       LYS  13 -10.518  -2.333  -4.186
   91   2HG   LYS  13          2HG       LYS  13  -8.915  -2.996  -4.478
   92   1HD   LYS  13          1HD       LYS  13  -8.008  -1.868  -2.562
   93   2HD   LYS  13          2HD       LYS  13  -9.476  -0.918  -2.348
   94   1HE   LYS  13          1HE       LYS  13 -10.348  -3.596  -2.347
   95   2HE   LYS  13          2HE       LYS  13  -8.874  -3.589  -1.361
   96   1HZ   LYS  13          1HZ       LYS  13 -10.628  -1.309  -0.983
   97   2HZ   LYS  13          2HZ       LYS  13  -9.821  -2.257   0.172
   98   3HZ   LYS  13          3HZ       LYS  13 -11.293  -2.787  -0.488
   99    H    TYR  14           H        TYR  14 -11.243  -0.880  -2.690
  100    HA   TYR  14           HA       TYR  14 -13.548  -1.996  -4.018
  101   1HB   TYR  14          1HB       TYR  14 -12.634  -2.848  -1.902
  102   2HB   TYR  14          2HB       TYR  14 -12.980  -1.312  -1.108
  103    HD1  TYR  14           1HD      TYR  14 -15.508  -0.490  -1.349
  104    HD2  TYR  14           2HD      TYR  14 -14.201  -4.563  -1.748
  105    HE1  TYR  14           1HE      TYR  14 -17.810  -1.276  -0.868
  106    HE2  TYR  14           2HE      TYR  14 -16.504  -5.348  -1.264
  107    HH   TYR  14           HH       TYR  14 -19.185  -3.345  -1.367
  108    H    ARG  15           H        ARG  15 -13.071   0.900  -1.995
  109    HA   ARG  15           HA       ARG  15 -15.788   1.907  -2.573
  110   1HB   ARG  15          1HB       ARG  15 -13.446   2.568  -0.843
  111   2HB   ARG  15          2HB       ARG  15 -14.545   3.876  -1.217
  112   1HG   ARG  15          1HG       ARG  15 -15.983   3.080   0.335
  113   2HG   ARG  15          2HG       ARG  15 -16.105   1.567  -0.565
  114   1HD   ARG  15          1HD       ARG  15 -13.749   2.110   1.242
  115   2HD   ARG  15          2HD       ARG  15 -15.252   1.417   1.880
  116    HE   ARG  15           HE       ARG  15 -13.830   0.180  -0.462
  117   1HH1  ARG  15          1HH1      ARG  15 -16.343  -0.314   1.637
  118   2HH1  ARG  15          2HH1      ARG  15 -15.828  -1.867   2.205
  119   1HH2  ARG  15          1HH2      ARG  15 -12.709  -1.678   0.703
  120   2HH2  ARG  15          2HH2      ARG  15 -13.772  -2.639   1.676
  121    H    ASN  16           H        ASN  16 -12.418   2.946  -3.079
  122    HA   ASN  16           HA       ASN  16 -13.245   5.027  -5.000
  123   1HB   ASN  16          1HB       ASN  16 -11.031   4.365  -3.242
  124   2HB   ASN  16          2HB       ASN  16 -10.450   4.765  -4.860
  125   1HD2  ASN  16          1HD2      ASN  16  -9.662   6.673  -3.223
  126   2HD2  ASN  16          2HD2      ASN  16 -10.678   8.031  -3.216
  127    HA   PRO  17           HA       PRO  17 -12.263   2.216  -8.320
  128   1HB   PRO  17          1HB       PRO  17 -13.245   3.810 -10.316
  129   2HB   PRO  17          2HB       PRO  17 -14.290   2.891  -9.217
  130   1HG   PRO  17          1HG       PRO  17 -13.805   5.773  -9.368
  131   2HG   PRO  17          2HG       PRO  17 -15.118   4.895  -8.576
  132   1HD   PRO  17          1HD       PRO  17 -12.729   6.034  -7.399
  133   2HD   PRO  17          2HD       PRO  17 -14.123   5.285  -6.589
  134    H    SER  18           H        SER  18 -11.924   5.560  -9.506
  135    HA   SER  18           HA       SER  18  -9.875   5.390 -11.280
  136   1HB   SER  18          1HB       SER  18 -11.174   7.383 -10.094
  137   2HB   SER  18          2HB       SER  18  -9.668   7.521  -9.191
  138    HG   SER  18           HG       SER  18  -9.682   8.767 -11.132
  139    H    LEU  19           H        LEU  19  -9.365   5.486  -7.733
  140    HA   LEU  19           HA       LEU  19  -6.496   5.467  -7.881
  141   1HB   LEU  19          1HB       LEU  19  -6.728   5.617  -5.625
  142   2HB   LEU  19          2HB       LEU  19  -8.430   5.832  -5.998
  143    HG   LEU  19           HG       LEU  19  -7.065   3.248  -5.188
  144   1HD1  LEU  19          1HD1      LEU  19  -8.938   5.226  -3.945
  145   2HD1  LEU  19          2HD1      LEU  19  -7.563   4.414  -3.223
  146   3HD1  LEU  19          3HD1      LEU  19  -9.069   3.536  -3.479
  147   1HD2  LEU  19          1HD2      LEU  19  -9.710   2.696  -5.202
  148   2HD2  LEU  19          2HD2      LEU  19  -8.651   2.322  -6.558
  149   3HD2  LEU  19          3HD2      LEU  19  -9.632   3.790  -6.582
  150    H    LYS  20           H        LYS  20  -5.211   3.441  -6.920
  151    HA   LYS  20           HA       LYS  20  -6.443   0.853  -7.673
  152   1HB   LYS  20          1HB       LYS  20  -4.450   0.518  -9.297
  153   2HB   LYS  20          2HB       LYS  20  -5.767   1.565  -9.828
  154   1HG   LYS  20          1HG       LYS  20  -4.523   3.542  -9.312
  155   2HG   LYS  20          2HG       LYS  20  -3.311   2.627  -8.415
  156   1HD   LYS  20          1HD       LYS  20  -2.455   3.238 -10.641
  157   2HD   LYS  20          2HD       LYS  20  -2.641   1.489 -10.514
  158   1HE   LYS  20          1HE       LYS  20  -3.648   1.956 -12.599
  159   2HE   LYS  20          2HE       LYS  20  -5.046   1.971 -11.506
  160   1HZ   LYS  20          1HZ       LYS  20  -5.237   4.014 -12.533
  161   2HZ   LYS  20          2HZ       LYS  20  -3.559   4.227 -12.685
  162   3HZ   LYS  20          3HZ       LYS  20  -4.311   4.436 -11.176
  163    H    LEU  21           H        LEU  21  -4.577  -0.916  -7.538
  164    HA   LEU  21           HA       LEU  21  -3.119  -0.316  -5.014
  165   1HB   LEU  21          1HB       LEU  21  -4.294  -2.758  -6.312
  166   2HB   LEU  21          2HB       LEU  21  -3.087  -2.932  -5.039
  167    HG   LEU  21           HG       LEU  21  -4.485  -2.023  -3.407
  168   1HD1  LEU  21          1HD1      LEU  21  -6.094  -0.736  -5.640
  169   2HD1  LEU  21          2HD1      LEU  21  -4.976   0.093  -4.556
  170   3HD1  LEU  21          3HD1      LEU  21  -6.464  -0.605  -3.920
  171   1HD2  LEU  21          1HD2      LEU  21  -5.512  -4.087  -4.010
  172   2HD2  LEU  21          2HD2      LEU  21  -6.223  -3.392  -5.467
  173   3HD2  LEU  21          3HD2      LEU  21  -6.834  -2.927  -3.879
  174    H    MET  22           H        MET  22  -0.915  -0.653  -4.832
  175    HA   MET  22           HA       MET  22   0.497  -1.369  -7.355
  176   1HB   MET  22          1HB       MET  22   2.076   0.058  -5.371
  177   2HB   MET  22          2HB       MET  22   1.762   0.494  -7.035
  178   1HG   MET  22          1HG       MET  22  -0.340   1.545  -6.423
  179   2HG   MET  22          2HG       MET  22  -0.181   0.983  -4.764
  180   1HE   MET  22          1HE       MET  22   2.710   2.443  -7.109
  181   2HE   MET  22          2HE       MET  22   3.222   1.483  -5.724
  182   3HE   MET  22          3HE       MET  22   3.593   3.203  -5.780
  183    H    VAL  23           H        VAL  23   1.664  -3.191  -7.281
  184    HA   VAL  23           HA       VAL  23   2.041  -4.601  -4.705
  185    HB   VAL  23           HB       VAL  23   2.207  -5.183  -7.643
  186   1HG1  VAL  23          1HG1      VAL  23   3.337  -6.989  -5.485
  187   2HG1  VAL  23          2HG1      VAL  23   4.295  -6.127  -6.688
  188   3HG1  VAL  23          3HG1      VAL  23   3.177  -7.394  -7.193
  189   1HG2  VAL  23          1HG2      VAL  23   0.244  -6.171  -7.172
  190   2HG2  VAL  23          2HG2      VAL  23   0.414  -5.679  -5.488
  191   3HG2  VAL  23          3HG2      VAL  23   1.046  -7.238  -6.018
  192    H    ASN  24           H        ASN  24   4.345  -5.731  -4.535
  193    HA   ASN  24           HA       ASN  24   6.417  -3.671  -5.230
  194   1HB   ASN  24          1HB       ASN  24   7.473  -4.739  -3.051
  195   2HB   ASN  24          2HB       ASN  24   6.235  -3.488  -2.931
  196   1HD2  ASN  24          1HD2      ASN  24   4.942  -4.098  -1.179
  197   2HD2  ASN  24          2HD2      ASN  24   4.284  -5.645  -0.952
  198    H    VAL  25           H        VAL  25   8.685  -4.675  -4.952
  199    HA   VAL  25           HA       VAL  25   9.360  -6.408  -6.948
  200    HB   VAL  25           HB       VAL  25  11.042  -5.278  -5.719
  201   1HG1  VAL  25          1HG1      VAL  25  10.737  -6.803  -3.196
  202   2HG1  VAL  25          2HG1      VAL  25   9.470  -5.625  -3.522
  203   3HG1  VAL  25          3HG1      VAL  25  11.152  -5.109  -3.444
  204   1HG2  VAL  25          1HG2      VAL  25  12.623  -6.947  -5.474
  205   2HG2  VAL  25          2HG2      VAL  25  11.387  -7.816  -6.386
  206   3HG2  VAL  25          3HG2      VAL  25  11.506  -8.026  -4.638
  207    H    CYS  26           H        CYS  26   8.952  -7.623  -3.557
  208    HA   CYS  26           HA       CYS  26   9.126 -10.368  -4.235
  209   1HB   CYS  26          1HB       CYS  26   7.689 -10.597  -2.087
  210   2HB   CYS  26          2HB       CYS  26   9.248  -9.790  -1.949
  211    H    GLY  27           H        GLY  27   6.629  -8.101  -4.899
  212   1HA   GLY  27          1HA       GLY  27   4.756  -8.434  -6.302
  213   2HA   GLY  27          2HA       GLY  27   5.120 -10.156  -6.324
  214    H    HIS  28           H        HIS  28   4.050  -7.696  -3.921
  215    HA   HIS  28           HA       HIS  28   2.125  -9.770  -2.944
  216   1HB   HIS  28          1HB       HIS  28   3.999  -7.909  -1.597
  217   2HB   HIS  28          2HB       HIS  28   2.417  -8.083  -0.832
  218    HD2  HIS  28           2HD      HIS  28   1.809 -11.197  -1.192
  219    HE1  HIS  28           1HE      HIS  28   5.673 -11.973   0.298
  220    HE2  HIS  28           2HE      HIS  28   3.404 -12.988  -0.180
  221    H    THR  29           H        THR  29   1.774  -6.589  -1.616
  222    HA   THR  29           HA       THR  29   0.097  -5.452  -3.670
  223    HB   THR  29           HB       THR  29  -1.056  -7.354  -1.665
  224    HG1  THR  29           1HG      THR  29  -1.032  -8.102  -3.697
  225   1HG2  THR  29          1HG2      THR  29  -2.371  -5.543  -0.978
  226   2HG2  THR  29          2HG2      THR  29  -3.332  -6.198  -2.304
  227   3HG2  THR  29          3HG2      THR  29  -2.322  -4.776  -2.566
  228    H    LEU  30           H        LEU  30  -0.723  -3.428  -3.068
  229    HA   LEU  30           HA       LEU  30  -0.862  -2.478  -0.326
  230   1HB   LEU  30          1HB       LEU  30   1.636  -2.722  -1.061
  231   2HB   LEU  30          2HB       LEU  30   1.339  -1.261  -1.984
  232    HG   LEU  30           HG       LEU  30   0.547  -0.184   0.151
  233   1HD1  LEU  30          1HD1      LEU  30   1.948  -2.260   1.704
  234   2HD1  LEU  30          2HD1      LEU  30   0.323  -2.665   1.144
  235   3HD1  LEU  30          3HD1      LEU  30   0.583  -1.251   2.168
  236   1HD2  LEU  30          1HD2      LEU  30   2.759   0.254   0.964
  237   2HD2  LEU  30          2HD2      LEU  30   2.931  -0.066  -0.763
  238   3HD2  LEU  30          3HD2      LEU  30   3.331  -1.316   0.413
  239    H    CYS  31           H        CYS  31  -2.896  -1.718  -1.090
  240    HA   CYS  31           HA       CYS  31  -3.505  -0.339  -3.430
  241   1HB   CYS  31          1HB       CYS  31  -5.499  -0.192  -2.390
  242   2HB   CYS  31          2HB       CYS  31  -4.729  -1.041  -1.074
  243    H    GLU  32           H        GLU  32  -4.003   1.962  -3.692
  244    HA   GLU  32           HA       GLU  32  -1.855   3.730  -3.437
  245   1HB   GLU  32          1HB       GLU  32  -4.116   5.356  -3.017
  246   2HB   GLU  32          2HB       GLU  32  -3.398   4.948  -4.561
  247   1HG   GLU  32          1HG       GLU  32  -5.826   4.529  -4.496
  248   2HG   GLU  32          2HG       GLU  32  -4.889   3.097  -4.866
  249    H    SER  33           H        SER  33  -4.642   3.618  -1.183
  250    HA   SER  33           HA       SER  33  -3.537   5.227   0.864
  251   1HB   SER  33          1HB       SER  33  -5.648   2.996   0.986
  252   2HB   SER  33          2HB       SER  33  -5.416   4.300   2.167
  253    HG   SER  33           HG       SER  33  -6.016   5.802   0.699
  254    H    CYS  34           H        CYS  34  -2.693   2.006  -0.063
  255    HA   CYS  34           HA       CYS  34  -1.743   1.292   2.654
  256   1HB   CYS  34          1HB       CYS  34  -1.888  -0.070  -0.033
  257   2HB   CYS  34          2HB       CYS  34  -0.900  -0.724   1.246
  258    H    VAL  35           H        VAL  35  -0.447   1.899  -0.619
  259    HA   VAL  35           HA       VAL  35   2.315   1.730   0.007
  260    HB   VAL  35           HB       VAL  35   0.581   2.546  -2.164
  261   1HG1  VAL  35          1HG1      VAL  35   2.935   4.317  -1.538
  262   2HG1  VAL  35          2HG1      VAL  35   1.328   4.774  -2.105
  263   3HG1  VAL  35          3HG1      VAL  35   2.471   4.013  -3.213
  264   1HG2  VAL  35          1HG2      VAL  35   1.902   0.679  -2.551
  265   2HG2  VAL  35          2HG2      VAL  35   3.322   1.407  -1.809
  266   3HG2  VAL  35          3HG2      VAL  35   2.801   1.931  -3.404
  267    H    ASP  36           H        ASP  36   0.196   4.626  -0.022
  268    HA   ASP  36           HA       ASP  36   2.178   6.505   0.741
  269   1HB   ASP  36          1HB       ASP  36   0.047   7.578   1.924
  270   2HB   ASP  36          2HB       ASP  36   0.179   7.506   0.171
  271    H    LEU  37           H        LEU  37  -0.080   4.861   3.103
  272    HA   LEU  37           HA       LEU  37   1.300   5.869   5.373
  273   1HB   LEU  37          1HB       LEU  37  -0.879   4.226   4.801
  274   2HB   LEU  37          2HB       LEU  37   0.214   3.199   5.729
  275    HG   LEU  37           HG       LEU  37   0.414   5.387   7.234
  276   1HD1  LEU  37          1HD1      LEU  37  -1.656   6.056   5.382
  277   2HD1  LEU  37          2HD1      LEU  37  -1.058   7.009   6.741
  278   3HD1  LEU  37          3HD1      LEU  37  -2.388   5.875   6.977
  279   1HD2  LEU  37          1HD2      LEU  37  -0.565   3.978   8.692
  280   2HD2  LEU  37          2HD2      LEU  37  -1.066   2.964   7.340
  281   3HD2  LEU  37          3HD2      LEU  37  -2.132   4.239   7.928
  282    H    LEU  38           H        LEU  38   1.627   2.705   3.786
  283    HA   LEU  38           HA       LEU  38   3.558   1.406   5.232
  284   1HB   LEU  38          1HB       LEU  38   2.421   0.944   2.935
  285   2HB   LEU  38          2HB       LEU  38   3.816   1.766   2.244
  286    HG   LEU  38           HG       LEU  38   4.418  -0.519   2.219
  287   1HD1  LEU  38          1HD1      LEU  38   6.257  -0.683   3.792
  288   2HD1  LEU  38          2HD1      LEU  38   5.508   0.503   4.861
  289   3HD1  LEU  38          3HD1      LEU  38   6.120   1.000   3.284
  290   1HD2  LEU  38          1HD2      LEU  38   3.082  -1.862   3.465
  291   2HD2  LEU  38          2HD2      LEU  38   2.743  -0.581   4.629
  292   3HD2  LEU  38          3HD2      LEU  38   4.209  -1.550   4.785
  293    H    PHE  39           H        PHE  39   4.185   4.015   2.890
  294    HA   PHE  39           HA       PHE  39   7.061   4.038   3.517
  295   1HB   PHE  39          1HB       PHE  39   5.420   5.867   1.765
  296   2HB   PHE  39          2HB       PHE  39   7.146   5.508   1.621
  297    HD1  PHE  39           1HD      PHE  39   6.735   2.505   2.378
  298    HD2  PHE  39           2HD      PHE  39   4.898   5.082  -0.524
  299    HE1  PHE  39           1HE      PHE  39   6.166   0.533   1.000
  300    HE2  PHE  39           2HE      PHE  39   4.330   3.101  -1.909
  301    HZ   PHE  39           HZ       PHE  39   4.952   0.831  -1.128
  302    H    VAL  40           H        VAL  40   4.222   6.122   4.172
  303    HA   VAL  40           HA       VAL  40   5.851   8.327   5.157
  304    HB   VAL  40           HB       VAL  40   3.765   9.275   5.807
  305   1HG1  VAL  40          1HG1      VAL  40   2.274   8.010   3.821
  306   2HG1  VAL  40          2HG1      VAL  40   3.950   7.835   3.303
  307   3HG1  VAL  40          3HG1      VAL  40   3.291   9.436   3.628
  308   1HG2  VAL  40          1HG2      VAL  40   1.707   7.647   5.792
  309   2HG2  VAL  40          2HG2      VAL  40   2.739   7.742   7.219
  310   3HG2  VAL  40          3HG2      VAL  40   2.933   6.414   6.075
  311    H    ARG  41           H        ARG  41   4.962   5.280   6.442
  312    HA   ARG  41           HA       ARG  41   5.294   6.108   9.266
  313   1HB   ARG  41          1HB       ARG  41   4.973   3.332   8.096
  314   2HB   ARG  41          2HB       ARG  41   4.555   3.872   9.721
  315   1HG   ARG  41          1HG       ARG  41   3.207   5.441   7.647
  316   2HG   ARG  41          2HG       ARG  41   2.818   3.725   7.551
  317   1HD   ARG  41          1HD       ARG  41   2.511   5.530   9.978
  318   2HD   ARG  41          2HD       ARG  41   1.219   4.717   9.072
  319    HE   ARG  41           HE       ARG  41   2.666   3.499  11.169
  320   1HH1  ARG  41          1HH2      ARG  41   0.805   2.722   8.522
  321   2HH1  ARG  41          2HH2      ARG  41   1.399   1.106   8.339
  322   1HH2  ARG  41          1HH1      ARG  41   3.955   1.502  10.648
  323   2HH2  ARG  41          2HH1      ARG  41   3.182   0.415   9.542
  324    H    GLY  42           H        GLY  42   7.052   4.427   6.701
  325   1HA   GLY  42          1HA       GLY  42   9.580   4.785   8.065
  326   2HA   GLY  42          2HA       GLY  42   9.052   3.104   8.130
  327    H    ALA  43           H        ALA  43   7.814   2.931   5.583
  328    HA   ALA  43           HA       ALA  43   8.338   2.655   3.286
  329   1HB   ALA  43          1HB       ALA  43   9.458   4.444   2.352
  330   2HB   ALA  43          2HB       ALA  43  10.732   4.412   3.572
  331   3HB   ALA  43          3HB       ALA  43   9.167   5.131   3.950
  332    H    GLY  44           H        GLY  44   9.127   0.576   3.041
  333   1HA   GLY  44          1HA       GLY  44  11.300  -0.521   2.316
  334   2HA   GLY  44          2HA       GLY  44  11.973   0.100   3.823
  335    H    ASN  45           H        ASN  45   8.692  -1.170   3.581
  336    HA   ASN  45           HA       ASN  45   9.496  -3.781   4.714
  337   1HB   ASN  45          1HB       ASN  45   7.856  -1.736   6.244
  338   2HB   ASN  45          2HB       ASN  45   8.231  -3.369   6.794
  339   1HD2  ASN  45          1HD2      ASN  45  10.427  -3.804   7.509
  340   2HD2  ASN  45          2HD2      ASN  45  11.549  -2.558   7.766
  341    H    CYS  46           H        CYS  46   8.343  -4.759   2.987
  342    HA   CYS  46           HA       CYS  46   5.936  -4.263   1.780
  343   1HB   CYS  46          1HB       CYS  46   7.523  -6.261   1.637
  344   2HB   CYS  46          2HB       CYS  46   6.638  -6.943   2.993
  345    HA   PRO  47           HA       PRO  47   2.813  -3.940   4.890
  346   1HB   PRO  47          1HB       PRO  47   0.667  -4.649   3.320
  347   2HB   PRO  47          2HB       PRO  47   1.490  -3.103   3.216
  348   1HG   PRO  47          1HG       PRO  47   1.962  -5.589   1.602
  349   2HG   PRO  47          2HG       PRO  47   1.629  -3.958   1.011
  350   1HD   PRO  47          1HD       PRO  47   4.113  -4.827   1.117
  351   2HD   PRO  47          2HD       PRO  47   3.749  -3.180   1.669
  352    H    GLU  48           H        GLU  48   3.805  -6.869   3.470
  353    HA   GLU  48           HA       GLU  48   2.240  -8.363   5.521
  354   1HB   GLU  48          1HB       GLU  48   1.787 -10.058   3.668
  355   2HB   GLU  48          2HB       GLU  48   0.925  -8.531   3.553
  356   1HG   GLU  48          1HG       GLU  48   1.736  -8.824   1.370
  357   2HG   GLU  48          2HG       GLU  48   2.965  -7.783   2.087
  358    H    CYS  49           H        CYS  49   4.996  -8.556   3.188
  359    HA   CYS  49           HA       CYS  49   6.126 -10.685   4.974
  360   1HB   CYS  49          1HB       CYS  49   7.100 -11.665   3.101
  361   2HB   CYS  49          2HB       CYS  49   5.634 -11.018   2.400
  362    H    GLY  50           H        GLY  50   6.234  -7.565   4.919
  363   1HA   GLY  50          1HA       GLY  50   7.892  -5.868   5.106
  364   2HA   GLY  50          2HA       GLY  50   8.397  -6.964   6.388
  365    H    THR  51           H        THR  51   8.645  -7.305   2.821
  366    HA   THR  51           HA       THR  51  11.295  -8.411   2.959
  367    HB   THR  51           HB       THR  51   9.746  -8.731   1.073
  368    HG1  THR  51           1HG      THR  51  11.779  -8.956   0.388
  369   1HG2  THR  51          1HG2      THR  51  10.065  -6.242  -0.292
  370   2HG2  THR  51          2HG2      THR  51   9.461  -5.905   1.330
  371   3HG2  THR  51          3HG2      THR  51   8.572  -6.995   0.267
  372    HA   PRO  52           HA       PRO  52  13.698  -4.772   3.463
  373   1HB   PRO  52          1HB       PRO  52  15.989  -5.532   2.158
  374   2HB   PRO  52          2HB       PRO  52  15.532  -6.146   3.759
  375   1HG   PRO  52          1HG       PRO  52  15.226  -7.406   1.069
  376   2HG   PRO  52          2HG       PRO  52  15.705  -8.140   2.608
  377   1HD   PRO  52          1HD       PRO  52  13.198  -8.348   1.549
  378   2HD   PRO  52          2HD       PRO  52  13.526  -8.394   3.296
  379    H    LEU  53           H        LEU  53  12.047  -3.765   1.840
  380    HA   LEU  53           HA       LEU  53  12.601  -3.602  -0.951
  381   1HB   LEU  53          1HB       LEU  53  11.173  -1.902   1.096
  382   2HB   LEU  53          2HB       LEU  53  11.237  -1.409  -0.598
  383    HG   LEU  53           HG       LEU  53  10.079  -3.970   0.539
  384   1HD1  LEU  53          1HD1      LEU  53   8.023  -3.125  -0.586
  385   2HD1  LEU  53          2HD1      LEU  53   8.898  -1.659  -1.027
  386   3HD1  LEU  53          3HD1      LEU  53   8.600  -2.031   0.671
  387   1HD2  LEU  53          1HD2      LEU  53  11.144  -3.343  -2.129
  388   2HD2  LEU  53          2HD2      LEU  53   9.478  -3.922  -2.155
  389   3HD2  LEU  53          3HD2      LEU  53  10.743  -4.906  -1.419
  390    H    ARG  54           H        ARG  54  12.638  -0.378   0.087
  391    HA   ARG  54           HA       ARG  54  15.355   0.123   0.711
  392   1HB   ARG  54          1HB       ARG  54  14.907  -0.897  -1.921
  393   2HB   ARG  54          2HB       ARG  54  15.443   0.777  -2.071
  394   1HG   ARG  54          1HG       ARG  54  17.022  -0.445  -0.039
  395   2HG   ARG  54          2HG       ARG  54  17.000  -1.544  -1.419
  396   1HD   ARG  54          1HD       ARG  54  17.327   0.978  -2.582
  397   2HD   ARG  54          2HD       ARG  54  18.355   1.029  -1.135
  398    HE   ARG  54           HE       ARG  54  18.566  -1.485  -2.616
  399   1HH1  ARG  54          1HH2      ARG  54  19.155   1.301  -4.107
  400   2HH1  ARG  54          2HH2      ARG  54  20.885   1.226  -4.095
  401   1HH2  ARG  54          1HH1      ARG  54  21.021  -1.392  -1.827
  402   2HH2  ARG  54          2HH1      ARG  54  21.942  -0.298  -2.804
  403    H    LYS  55           H        LYS  55  12.852   1.301  -1.580
  404    HA   LYS  55           HA       LYS  55  12.819   3.889  -0.140
  405   1HB   LYS  55          1HB       LYS  55  13.607   5.158  -1.968
  406   2HB   LYS  55          2HB       LYS  55  14.663   3.749  -1.963
  407   1HG   LYS  55          1HG       LYS  55  12.298   4.276  -3.779
  408   2HG   LYS  55          2HG       LYS  55  13.987   4.081  -4.236
  409   1HD   LYS  55          1HD       LYS  55  13.865   1.725  -3.321
  410   2HD   LYS  55          2HD       LYS  55  12.126   1.955  -3.142
  411   1HE   LYS  55          1HE       LYS  55  12.947   0.844  -5.335
  412   2HE   LYS  55          2HE       LYS  55  11.811   2.198  -5.499
  413   1HZ   LYS  55          1HZ       LYS  55  14.712   2.710  -5.338
  414   2HZ   LYS  55          2HZ       LYS  55  13.498   3.643  -6.076
  415   3HZ   LYS  55          3HZ       LYS  55  14.044   2.213  -6.816
  416    H    SER  56           H        SER  56  10.833   1.786  -0.544
  417    HA   SER  56           HA       SER  56   8.498   1.756  -0.938
  418   1HB   SER  56          1HB       SER  56   8.595   4.429  -2.249
  419   2HB   SER  56          2HB       SER  56   7.492   3.825  -1.016
  420    HG   SER  56           HG       SER  56   8.747   5.170   0.100
  421    H    ASN  57           H        ASN  57   9.602   0.228  -2.687
  422    HA   ASN  57           HA       ASN  57   9.223   1.262  -5.458
  423   1HB   ASN  57          1HB       ASN  57  10.414  -0.855  -6.024
  424   2HB   ASN  57          2HB       ASN  57  11.311   0.105  -4.846
  425   1HD2  ASN  57          1HD2      ASN  57  10.031  -2.989  -5.454
  426   2HD2  ASN  57          2HD2      ASN  57  10.130  -3.605  -3.878
  427    H    PHE  58           H        PHE  58   6.838   1.247  -5.367
  428    HA   PHE  58           HA       PHE  58   5.707  -1.524  -5.436
  429   1HB   PHE  58          1HB       PHE  58   4.501   1.077  -4.409
  430   2HB   PHE  58          2HB       PHE  58   3.640  -0.453  -4.481
  431    HD1  PHE  58           1HD      PHE  58   6.983   0.794  -3.248
  432    HD2  PHE  58           2HD      PHE  58   3.567  -1.727  -2.584
  433    HE1  PHE  58           1HE      PHE  58   7.953   0.035  -1.100
  434    HE2  PHE  58           2HE      PHE  58   4.534  -2.463  -0.427
  435    HZ   PHE  58           HZ       PHE  58   6.726  -1.583   0.314
  436    H    ARG  59           H        ARG  59   4.838  -2.041  -7.380
  437    HA   ARG  59           HA       ARG  59   4.559   0.031  -9.466
  438   1HB   ARG  59          1HB       ARG  59   4.023  -2.071 -10.828
  439   2HB   ARG  59          2HB       ARG  59   5.620  -2.015 -10.088
  440   1HG   ARG  59          1HG       ARG  59   5.092  -3.635  -8.508
  441   2HG   ARG  59          2HG       ARG  59   3.374  -3.237  -8.529
  442   1HD   ARG  59          1HD       ARG  59   4.907  -4.712 -10.703
  443   2HD   ARG  59          2HD       ARG  59   3.664  -5.392  -9.633
  444    HE   ARG  59           HE       ARG  59   2.467  -3.161 -10.824
  445   1HH1  ARG  59          1HH1      ARG  59   4.248  -3.899 -13.158
  446   2HH1  ARG  59          2HH1      ARG  59   3.222  -4.974 -14.049
  447   1HH2  ARG  59          1HH2      ARG  59   1.024  -5.487 -11.418
  448   2HH2  ARG  59          2HH2      ARG  59   1.399  -5.872 -13.065
  449    H    VAL  60           H        VAL  60   2.706   1.169  -9.343
  450    HA   VAL  60           HA       VAL  60   0.205  -0.031  -8.368
  451    HB   VAL  60           HB       VAL  60   0.976   2.157  -7.654
  452   1HG1  VAL  60          1HG1      VAL  60   1.125   2.580 -10.609
  453   2HG1  VAL  60          2HG1      VAL  60   2.218   3.134  -9.341
  454   3HG1  VAL  60          3HG1      VAL  60   0.683   3.962  -9.608
  455   1HG2  VAL  60          1HG2      VAL  60  -1.225   3.184  -9.236
  456   2HG2  VAL  60          2HG2      VAL  60  -1.182   2.809  -7.513
  457   3HG2  VAL  60          3HG2      VAL  60  -1.583   1.549  -8.681
  458    H    GLN  61           H        GLN  61  -1.583  -0.461  -9.563
  459    HA   GLN  61           HA       GLN  61  -2.085   0.476 -12.244
  460   1HB   GLN  61          1HB       GLN  61  -1.633  -1.690 -13.382
  461   2HB   GLN  61          2HB       GLN  61  -0.164  -1.016 -12.676
  462   1HG   GLN  61          1HG       GLN  61  -0.009  -3.178 -11.874
  463   2HG   GLN  61          2HG       GLN  61  -0.963  -2.462 -10.575
  464   1HE2  GLN  61          1HE2      GLN  61  -1.315  -5.157 -10.838
  465   2HE2  GLN  61          2HE2      GLN  61  -2.787  -5.522 -11.600
  466    H    LEU  62           H        LEU  62  -3.945  -1.006 -13.213
  467    HA   LEU  62           HA       LEU  62  -5.438  -2.647 -11.320
  468   1HB   LEU  62          1HB       LEU  62  -5.598   0.005 -10.840
  469   2HB   LEU  62          2HB       LEU  62  -6.891  -0.146 -12.028
  470    HG   LEU  62           HG       LEU  62  -7.756  -2.102 -10.625
  471   1HD1  LEU  62          1HD1      LEU  62  -6.881  -2.533  -8.524
  472   2HD1  LEU  62          2HD1      LEU  62  -6.258  -0.894  -8.333
  473   3HD1  LEU  62          3HD1      LEU  62  -5.410  -2.047  -9.366
  474   1HD2  LEU  62          1HD2      LEU  62  -9.044  -0.156 -10.444
  475   2HD2  LEU  62          2HD2      LEU  62  -7.717   0.776  -9.749
  476   3HD2  LEU  62          3HD2      LEU  62  -8.561  -0.424  -8.770
  477    H    PHE  63           H        PHE  63  -5.717  -0.542 -14.202
  478    HA   PHE  63           HA       PHE  63  -7.385  -2.690 -15.477
  479   1HB   PHE  63          1HB       PHE  63  -7.931   0.002 -14.935
  480   2HB   PHE  63          2HB       PHE  63  -7.542  -0.024 -16.655
  481    HD1  PHE  63           1HD      PHE  63  -8.724  -1.764 -18.131
  482    HD2  PHE  63           2HD      PHE  63 -10.017  -0.780 -14.155
  483    HE1  PHE  63           1HE      PHE  63 -10.954  -2.732 -18.616
  484    HE2  PHE  63           2HE      PHE  63 -12.248  -1.747 -14.641
  485    HZ   PHE  63           HZ       PHE  63 -12.717  -2.724 -16.872
  486    H    GLU  64           H        GLU  64  -6.485  -3.600 -17.285
  487    HA   GLU  64           HA       GLU  64  -4.585  -2.026 -18.941
  488   1HB   GLU  64          1HB       GLU  64  -3.962  -4.264 -17.105
  489   2HB   GLU  64          2HB       GLU  64  -3.252  -4.402 -18.714
  490   1HG   GLU  64          1HG       GLU  64  -2.277  -2.152 -18.483
  491   2HG   GLU  64          2HG       GLU  64  -3.012  -1.990 -16.888
  492    H    ASP  65           H        ASP  65  -6.243  -5.149 -18.445
  493    HA   ASP  65           HA       ASP  65  -6.018  -6.058 -21.167
  494   1HB   ASP  65          1HB       ASP  65  -6.580  -7.313 -18.986
  495   2HB   ASP  65          2HB       ASP  65  -8.223  -6.707 -19.199
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  -9.640  -7.977  -7.609
    2   2H    MET   1          2HT       MET   1 -10.773  -7.783  -6.359
    3   3H    MET   1          3HT       MET   1  -9.174  -8.230  -5.998
    4    HA   MET   1           HA       MET   1  -8.368  -6.079  -6.784
    5   1HB   MET   1          1HB       MET   1 -11.273  -5.985  -7.534
    6   2HB   MET   1          2HB       MET   1 -10.436  -4.470  -7.190
    7   1HG   MET   1          1HG       MET   1  -8.912  -4.774  -8.963
    8   2HG   MET   1          2HG       MET   1  -9.237  -6.505  -9.065
    9   1HE   MET   1          1HE       MET   1  -9.899  -7.182 -11.038
   10   2HE   MET   1          2HE       MET   1 -11.408  -6.819 -11.872
   11   3HE   MET   1          3HE       MET   1 -11.450  -7.562 -10.275
   12    H    ASP   2           H        ASP   2 -11.608  -6.037  -5.240
   13    HA   ASP   2           HA       ASP   2 -10.587  -4.394  -3.026
   14   1HB   ASP   2          1HB       ASP   2 -13.282  -5.728  -3.447
   15   2HB   ASP   2          2HB       ASP   2 -12.936  -4.355  -2.395
   16    H    ASP   3           H        ASP   3 -11.853  -7.718  -3.441
   17    HA   ASP   3           HA       ASP   3 -11.956  -8.672  -0.848
   18   1HB   ASP   3          1HB       ASP   3 -12.468 -10.115  -2.664
   19   2HB   ASP   3          2HB       ASP   3 -10.899  -9.849  -3.423
   20    H    GLN   4           H        GLN   4  -9.082  -9.820  -2.491
   21    HA   GLN   4           HA       GLN   4  -7.467  -9.325  -0.077
   22   1HB   GLN   4          1HB       GLN   4  -7.309 -11.440  -1.286
   23   2HB   GLN   4          2HB       GLN   4  -6.928 -10.592  -2.785
   24   1HG   GLN   4          1HG       GLN   4  -4.775 -10.043  -2.078
   25   2HG   GLN   4          2HG       GLN   4  -5.202 -10.142  -0.370
   26   1HE2  GLN   4          1HE2      GLN   4  -4.233 -12.032  -3.193
   27   2HE2  GLN   4          2HE2      GLN   4  -3.990 -13.491  -2.360
   28    H    GLY   5           H        GLY   5  -8.298  -6.896  -1.242
   29   1HA   GLY   5          1HA       GLY   5  -5.998  -5.922  -2.837
   30   2HA   GLY   5          2HA       GLY   5  -7.502  -5.044  -2.559
   31    H    CYS   6           H        CYS   6  -6.870  -3.196  -1.522
   32    HA   CYS   6           HA       CYS   6  -4.690  -2.569  -0.015
   33   1HB   CYS   6          1HB       CYS   6  -6.365  -0.919  -0.421
   34   2HB   CYS   6          2HB       CYS   6  -7.605  -1.862   0.373
   35    HA   PRO   7           HA       PRO   7  -5.166  -5.375   3.463
   36   1HB   PRO   7          1HB       PRO   7  -2.498  -5.468   4.045
   37   2HB   PRO   7          2HB       PRO   7  -3.237  -6.429   2.750
   38   1HG   PRO   7          1HG       PRO   7  -1.496  -4.069   2.591
   39   2HG   PRO   7          2HG       PRO   7  -1.828  -5.310   1.376
   40   1HD   PRO   7          1HD       PRO   7  -2.932  -2.671   1.569
   41   2HD   PRO   7          2HD       PRO   7  -3.265  -3.910   0.343
   42    H    ARG   8           H        ARG   8  -3.724  -2.191   3.273
   43    HA   ARG   8           HA       ARG   8  -3.506  -1.946   6.230
   44   1HB   ARG   8          1HB       ARG   8  -1.938  -1.131   4.193
   45   2HB   ARG   8          2HB       ARG   8  -2.937   0.311   4.369
   46   1HG   ARG   8          1HG       ARG   8  -1.964   0.870   6.339
   47   2HG   ARG   8          2HG       ARG   8  -1.997  -0.795   6.928
   48   1HD   ARG   8          1HD       ARG   8  -0.072  -1.221   5.238
   49   2HD   ARG   8          2HD       ARG   8   0.078   0.546   5.176
   50    HE   ARG   8           HE       ARG   8   1.045  -1.047   7.308
   51   1HH1  ARG   8          1HH1      ARG   8   1.337   1.978   6.999
   52   2HH1  ARG   8          2HH1      ARG   8   0.578   2.536   8.451
   53   1HH2  ARG   8          1HH2      ARG   8  -0.981  -0.493   9.112
   54   2HH2  ARG   8          2HH2      ARG   8  -0.736   1.135   9.650
   55    H    CYS   9           H        CYS   9  -4.766   0.277   3.707
   56    HA   CYS   9           HA       CYS   9  -6.806   1.210   5.676
   57   1HB   CYS   9          1HB       CYS   9  -7.162   2.628   3.277
   58   2HB   CYS   9          2HB       CYS   9  -6.325   3.192   4.709
   59    H    LYS  10           H        LYS  10  -7.251  -1.406   4.714
   60    HA   LYS  10           HA       LYS  10  -8.614  -2.164   2.573
   61   1HB   LYS  10          1HB       LYS  10  -9.937  -3.583   3.957
   62   2HB   LYS  10          2HB       LYS  10  -8.466  -3.260   4.872
   63   1HG   LYS  10          1HG       LYS  10  -9.913  -1.227   5.796
   64   2HG   LYS  10          2HG       LYS  10 -11.252  -2.278   5.335
   65   1HD   LYS  10          1HD       LYS  10 -10.602  -3.965   6.839
   66   2HD   LYS  10          2HD       LYS  10  -8.944  -3.369   6.937
   67   1HE   LYS  10          1HE       LYS  10  -9.523  -1.643   8.418
   68   2HE   LYS  10          2HE       LYS  10 -11.220  -1.634   7.894
   69   1HZ   LYS  10          1HZ       LYS  10 -11.620  -3.657   8.980
   70   2HZ   LYS  10          2HZ       LYS  10 -10.669  -2.792  10.092
   71   3HZ   LYS  10          3HZ       LYS  10  -9.971  -4.016   9.142
   72    H    THR  11           H        THR  11  -9.431  -0.282   1.385
   73    HA   THR  11           HA       THR  11 -12.279   0.123   1.735
   74    HB   THR  11           HB       THR  11 -10.978   1.390   3.630
   75    HG1  THR  11           1HG      THR  11 -12.557   3.006   3.542
   76   1HG2  THR  11          1HG2      THR  11  -9.342   2.453   2.081
   77   2HG2  THR  11          2HG2      THR  11 -10.253   3.645   3.005
   78   3HG2  THR  11          3HG2      THR  11 -10.667   3.332   1.321
   79    H    THR  12           H        THR  12  -9.278   1.542   0.507
   80    HA   THR  12           HA       THR  12 -10.089   3.251  -1.472
   81    HB   THR  12           HB       THR  12  -7.980   2.300  -2.636
   82    HG1  THR  12           1HG      THR  12  -7.366   0.463  -1.862
   83   1HG2  THR  12          1HG2      THR  12  -8.293   4.182  -0.888
   84   2HG2  THR  12          2HG2      THR  12  -6.675   3.516  -1.117
   85   3HG2  THR  12          3HG2      THR  12  -7.649   3.009   0.261
   86    H    LYS  13           H        LYS  13  -8.770   0.527  -3.102
   87    HA   LYS  13           HA       LYS  13 -10.297   0.532  -5.343
   88   1HB   LYS  13          1HB       LYS  13  -9.410  -1.613  -5.690
   89   2HB   LYS  13          2HB       LYS  13  -8.332  -0.912  -4.501
   90   1HG   LYS  13          1HG       LYS  13 -10.719  -2.581  -3.697
   91   2HG   LYS  13          2HG       LYS  13  -9.141  -3.292  -4.022
   92   1HD   LYS  13          1HD       LYS  13  -8.188  -1.617  -2.351
   93   2HD   LYS  13          2HD       LYS  13  -9.855  -1.259  -1.890
   94   1HE   LYS  13          1HE       LYS  13  -9.049  -4.144  -1.981
   95   2HE   LYS  13          2HE       LYS  13  -8.460  -3.164  -0.625
   96   1HZ   LYS  13          1HZ       LYS  13 -10.807  -2.326  -0.436
   97   2HZ   LYS  13          2HZ       LYS  13 -10.593  -3.957  -0.012
   98   3HZ   LYS  13          3HZ       LYS  13 -11.267  -3.549  -1.517
   99    H    TYR  14           H        TYR  14 -11.433  -0.574  -2.199
  100    HA   TYR  14           HA       TYR  14 -13.809  -1.907  -3.241
  101   1HB   TYR  14          1HB       TYR  14 -12.577  -2.308  -1.029
  102   2HB   TYR  14          2HB       TYR  14 -13.291  -0.809  -0.457
  103    HD1  TYR  14           1HD      TYR  14 -15.737  -1.767  -2.576
  104    HD2  TYR  14           2HD      TYR  14 -13.918  -3.164   1.057
  105    HE1  TYR  14           1HE      TYR  14 -17.813  -2.998  -2.009
  106    HE2  TYR  14           2HE      TYR  14 -15.995  -4.395   1.622
  107    HH   TYR  14           HH       TYR  14 -18.519  -4.875  -0.646
  108    H    ARG  15           H        ARG  15 -13.122   1.167  -1.589
  109    HA   ARG  15           HA       ARG  15 -15.774   2.264  -2.321
  110   1HB   ARG  15          1HB       ARG  15 -13.537   2.821  -0.468
  111   2HB   ARG  15          2HB       ARG  15 -14.322   4.257  -1.109
  112   1HG   ARG  15          1HG       ARG  15 -15.970   3.925   0.405
  113   2HG   ARG  15          2HG       ARG  15 -16.400   2.453  -0.467
  114   1HD   ARG  15          1HD       ARG  15 -14.302   2.619   1.723
  115   2HD   ARG  15          2HD       ARG  15 -15.941   1.983   1.934
  116    HE   ARG  15           HE       ARG  15 -13.937   0.794   0.020
  117   1HH1  ARG  15          1HH2      ARG  15 -16.726  -0.105  -0.392
  118   2HH1  ARG  15          2HH2      ARG  15 -16.840  -1.496   0.632
  119   1HH2  ARG  15          1HH1      ARG  15 -14.016  -0.694   2.479
  120   2HH2  ARG  15          2HH1      ARG  15 -15.306  -1.828   2.261
  121    H    ASN  16           H        ASN  16 -12.386   3.325  -2.608
  122    HA   ASN  16           HA       ASN  16 -12.869   5.257  -4.700
  123   1HB   ASN  16          1HB       ASN  16 -10.727   4.166  -3.057
  124   2HB   ASN  16          2HB       ASN  16 -10.182   4.430  -4.711
  125   1HD2  ASN  16          1HD2      ASN  16  -8.832   6.160  -3.536
  126   2HD2  ASN  16          2HD2      ASN  16  -9.543   7.689  -3.326
  127    HA   PRO  17           HA       PRO  17 -12.661   2.022  -7.815
  128   1HB   PRO  17          1HB       PRO  17 -14.212   3.332  -9.657
  129   2HB   PRO  17          2HB       PRO  17 -14.894   2.436  -8.287
  130   1HG   PRO  17          1HG       PRO  17 -14.737   5.324  -8.748
  131   2HG   PRO  17          2HG       PRO  17 -15.771   4.418  -7.638
  132   1HD   PRO  17          1HD       PRO  17 -13.331   5.856  -7.063
  133   2HD   PRO  17          2HD       PRO  17 -14.425   5.031  -5.930
  134    H    SER  18           H        SER  18 -11.500   5.204  -7.725
  135    HA   SER  18           HA       SER  18 -10.373   5.206 -10.462
  136   1HB   SER  18          1HB       SER  18 -11.228   7.100  -8.600
  137   2HB   SER  18          2HB       SER  18  -9.474   7.248  -8.571
  138    HG   SER  18           HG       SER  18 -11.255   7.669 -10.677
  139    H    LEU  19           H        LEU  19  -9.318   4.861  -7.091
  140    HA   LEU  19           HA       LEU  19  -6.483   4.776  -7.754
  141   1HB   LEU  19          1HB       LEU  19  -6.228   4.759  -5.469
  142   2HB   LEU  19          2HB       LEU  19  -7.896   5.305  -5.530
  143    HG   LEU  19           HG       LEU  19  -7.868   3.574  -3.914
  144   1HD1  LEU  19          1HD1      LEU  19  -9.361   3.284  -6.241
  145   2HD1  LEU  19          2HD1      LEU  19  -9.645   2.464  -4.710
  146   3HD1  LEU  19          3HD1      LEU  19  -8.686   1.681  -5.965
  147   1HD2  LEU  19          1HD2      LEU  19  -6.357   1.906  -3.886
  148   2HD2  LEU  19          2HD2      LEU  19  -5.667   2.605  -5.347
  149   3HD2  LEU  19          3HD2      LEU  19  -6.877   1.335  -5.470
  150    H    LYS  20           H        LYS  20  -5.165   2.778  -7.166
  151    HA   LYS  20           HA       LYS  20  -6.633   0.237  -7.694
  152   1HB   LYS  20          1HB       LYS  20  -4.520  -0.176  -9.267
  153   2HB   LYS  20          2HB       LYS  20  -5.942   0.667  -9.879
  154   1HG   LYS  20          1HG       LYS  20  -3.741   2.235  -8.559
  155   2HG   LYS  20          2HG       LYS  20  -3.554   1.711 -10.234
  156   1HD   LYS  20          1HD       LYS  20  -6.195   2.790  -9.873
  157   2HD   LYS  20          2HD       LYS  20  -5.011   3.950  -9.267
  158   1HE   LYS  20          1HE       LYS  20  -4.084   4.281 -11.362
  159   2HE   LYS  20          2HE       LYS  20  -4.414   2.615 -11.880
  160   1HZ   LYS  20          1HZ       LYS  20  -6.112   3.640 -12.963
  161   2HZ   LYS  20          2HZ       LYS  20  -6.151   4.964 -11.900
  162   3HZ   LYS  20          3HZ       LYS  20  -6.882   3.495 -11.459
  163    H    LEU  21           H        LEU  21  -4.551  -1.492  -7.796
  164    HA   LEU  21           HA       LEU  21  -3.182  -1.059  -5.171
  165   1HB   LEU  21          1HB       LEU  21  -4.395  -3.400  -6.606
  166   2HB   LEU  21          2HB       LEU  21  -3.112  -3.687  -5.430
  167    HG   LEU  21           HG       LEU  21  -4.381  -2.699  -3.663
  168   1HD1  LEU  21          1HD1      LEU  21  -5.281  -0.736  -4.677
  169   2HD1  LEU  21          2HD1      LEU  21  -6.681  -1.701  -4.217
  170   3HD1  LEU  21          3HD1      LEU  21  -6.146  -1.671  -5.896
  171   1HD2  LEU  21          1HD2      LEU  21  -5.130  -4.955  -4.218
  172   2HD2  LEU  21          2HD2      LEU  21  -6.219  -4.321  -5.451
  173   3HD2  LEU  21          3HD2      LEU  21  -6.524  -3.983  -3.748
  174    H    MET  22           H        MET  22  -1.011  -0.736  -5.360
  175    HA   MET  22           HA       MET  22   0.330  -1.518  -7.886
  176   1HB   MET  22          1HB       MET  22   2.024  -0.209  -5.909
  177   2HB   MET  22          2HB       MET  22   1.577   0.344  -7.505
  178   1HG   MET  22          1HG       MET  22  -0.608   1.147  -6.568
  179   2HG   MET  22          2HG       MET  22   0.008   0.756  -4.961
  180   1HE   MET  22          1HE       MET  22  -0.316   4.292  -5.028
  181   2HE   MET  22          2HE       MET  22  -1.186   3.097  -5.988
  182   3HE   MET  22          3HE       MET  22  -0.248   4.351  -6.795
  183    H    VAL  23           H        VAL  23   2.695  -2.315  -7.491
  184    HA   VAL  23           HA       VAL  23   2.681  -4.359  -5.300
  185    HB   VAL  23           HB       VAL  23   3.110  -4.550  -8.260
  186   1HG1  VAL  23          1HG1      VAL  23   4.453  -6.280  -6.167
  187   2HG1  VAL  23          2HG1      VAL  23   5.220  -5.407  -7.495
  188   3HG1  VAL  23          3HG1      VAL  23   4.205  -6.809  -7.830
  189   1HG2  VAL  23          1HG2      VAL  23   2.115  -6.926  -7.080
  190   2HG2  VAL  23          2HG2      VAL  23   1.211  -5.732  -8.014
  191   3HG2  VAL  23          3HG2      VAL  23   1.315  -5.586  -6.259
  192    H    ASN  24           H        ASN  24   4.726  -4.749  -4.347
  193    HA   ASN  24           HA       ASN  24   6.899  -2.875  -5.216
  194   1HB   ASN  24          1HB       ASN  24   7.490  -3.085  -2.698
  195   2HB   ASN  24          2HB       ASN  24   6.078  -2.120  -3.132
  196   1HD2  ASN  24          1HD2      ASN  24   3.954  -3.003  -2.630
  197   2HD2  ASN  24          2HD2      ASN  24   3.765  -4.355  -1.622
  198    H    VAL  25           H        VAL  25   8.895  -3.737  -5.510
  199    HA   VAL  25           HA       VAL  25  10.362  -5.509  -6.106
  200    HB   VAL  25           HB       VAL  25  11.311  -4.840  -4.111
  201   1HG1  VAL  25          1HG1      VAL  25  10.185  -5.317  -1.865
  202   2HG1  VAL  25          2HG1      VAL  25   8.748  -5.742  -2.788
  203   3HG1  VAL  25          3HG1      VAL  25   9.406  -4.113  -2.890
  204   1HG2  VAL  25          1HG2      VAL  25  11.197  -7.548  -4.520
  205   2HG2  VAL  25          2HG2      VAL  25  10.651  -7.409  -2.849
  206   3HG2  VAL  25          3HG2      VAL  25  12.217  -6.752  -3.324
  207    H    CYS  26           H        CYS  26   8.900  -7.395  -3.480
  208    HA   CYS  26           HA       CYS  26   8.878  -9.788  -4.959
  209   1HB   CYS  26          1HB       CYS  26   6.801 -10.047  -3.069
  210   2HB   CYS  26          2HB       CYS  26   8.473 -10.522  -2.854
  211    H    GLY  27           H        GLY  27   6.307 -10.808  -4.695
  212   1HA   GLY  27          1HA       GLY  27   4.922  -9.324  -6.878
  213   2HA   GLY  27          2HA       GLY  27   4.746 -11.052  -6.571
  214    H    HIS  28           H        HIS  28   4.687  -8.566  -4.068
  215    HA   HIS  28           HA       HIS  28   2.015  -9.519  -3.260
  216   1HB   HIS  28          1HB       HIS  28   4.179  -7.772  -2.097
  217   2HB   HIS  28          2HB       HIS  28   2.599  -7.894  -1.323
  218    HD2  HIS  28           2HD      HIS  28   1.918 -10.977  -1.591
  219    HE1  HIS  28           1HE      HIS  28   5.752 -11.863  -0.103
  220    HE2  HIS  28           2HE      HIS  28   3.454 -12.806  -0.570
  221    H    THR  29           H        THR  29   1.613  -6.631  -2.100
  222    HA   THR  29           HA       THR  29   1.194  -4.975  -4.436
  223    HB   THR  29           HB       THR  29  -0.770  -6.996  -3.557
  224    HG1  THR  29           1HG      THR  29  -0.688  -5.568  -5.982
  225   1HG2  THR  29          1HG2      THR  29  -1.969  -4.976  -2.828
  226   2HG2  THR  29          2HG2      THR  29  -2.720  -5.610  -4.292
  227   3HG2  THR  29          3HG2      THR  29  -1.658  -4.204  -4.382
  228    H    LEU  30           H        LEU  30  -0.235  -3.075  -3.887
  229    HA   LEU  30           HA       LEU  30  -0.894  -2.612  -1.096
  230   1HB   LEU  30          1HB       LEU  30   1.701  -2.312  -1.640
  231   2HB   LEU  30          2HB       LEU  30   1.168  -0.743  -2.195
  232    HG   LEU  30           HG       LEU  30   0.736  -0.001  -0.083
  233   1HD1  LEU  30          1HD1      LEU  30  -1.102  -1.549   0.383
  234   2HD1  LEU  30          2HD1      LEU  30  -0.043  -1.465   1.789
  235   3HD1  LEU  30          3HD1      LEU  30   0.035  -2.851   0.704
  236   1HD2  LEU  30          1HD2      LEU  30   2.880  -0.405   0.531
  237   2HD2  LEU  30          2HD2      LEU  30   2.831  -2.063  -0.062
  238   3HD2  LEU  30          3HD2      LEU  30   2.195  -1.679   1.538
  239    H    CYS  31           H        CYS  31  -2.782  -1.620  -1.383
  240    HA   CYS  31           HA       CYS  31  -3.799  -0.342  -3.631
  241   1HB   CYS  31          1HB       CYS  31  -5.533  -0.211  -2.209
  242   2HB   CYS  31          2HB       CYS  31  -4.485  -0.949  -1.022
  243    H    GLU  32           H        GLU  32  -4.372   2.115  -3.737
  244    HA   GLU  32           HA       GLU  32  -1.882   3.604  -3.785
  245   1HB   GLU  32          1HB       GLU  32  -3.131   4.933  -5.128
  246   2HB   GLU  32          2HB       GLU  32  -4.452   3.810  -4.872
  247   1HG   GLU  32          1HG       GLU  32  -3.977   6.025  -2.890
  248   2HG   GLU  32          2HG       GLU  32  -4.840   6.343  -4.390
  249    H    SER  33           H        SER  33  -4.706   3.592  -1.612
  250    HA   SER  33           HA       SER  33  -3.804   5.677   0.128
  251   1HB   SER  33          1HB       SER  33  -5.718   3.327   0.463
  252   2HB   SER  33          2HB       SER  33  -5.458   4.552   1.713
  253    HG   SER  33           HG       SER  33  -6.896   5.630   0.655
  254    H    CYS  34           H        CYS  34  -2.512   2.470  -0.249
  255    HA   CYS  34           HA       CYS  34  -1.681   2.288   2.584
  256   1HB   CYS  34          1HB       CYS  34  -1.265   0.652   0.077
  257   2HB   CYS  34          2HB       CYS  34  -0.257   0.394   1.501
  258    H    VAL  35           H        VAL  35   0.103   2.381  -0.511
  259    HA   VAL  35           HA       VAL  35   2.669   2.867   0.330
  260    HB   VAL  35           HB       VAL  35   0.996   3.926  -1.938
  261   1HG1  VAL  35          1HG1      VAL  35   3.885   4.577  -1.328
  262   2HG1  VAL  35          2HG1      VAL  35   2.575   5.699  -1.695
  263   3HG1  VAL  35          3HG1      VAL  35   3.222   4.657  -2.960
  264   1HG2  VAL  35          1HG2      VAL  35   1.583   1.598  -2.061
  265   2HG2  VAL  35          2HG2      VAL  35   3.260   1.941  -1.641
  266   3HG2  VAL  35          3HG2      VAL  35   2.619   2.452  -3.203
  267    H    ASP  36           H        ASP  36  -0.043   5.087   0.585
  268    HA   ASP  36           HA       ASP  36   1.484   7.481   1.034
  269   1HB   ASP  36          1HB       ASP  36  -0.607   8.347   0.981
  270   2HB   ASP  36          2HB       ASP  36  -1.177   6.706   0.704
  271    H    LEU  37           H        LEU  37  -0.277   5.462   3.469
  272    HA   LEU  37           HA       LEU  37   1.351   6.673   5.624
  273   1HB   LEU  37          1HB       LEU  37  -0.917   4.667   5.496
  274   2HB   LEU  37          2HB       LEU  37  -0.176   5.188   7.009
  275    HG   LEU  37           HG       LEU  37  -1.676   6.885   4.998
  276   1HD1  LEU  37          1HD1      LEU  37  -2.276   7.137   7.848
  277   2HD1  LEU  37          2HD1      LEU  37  -2.492   5.487   7.264
  278   3HD1  LEU  37          3HD1      LEU  37  -3.366   6.814   6.499
  279   1HD2  LEU  37          1HD2      LEU  37  -1.056   8.581   7.040
  280   2HD2  LEU  37          2HD2      LEU  37  -0.125   8.474   5.546
  281   3HD2  LEU  37          3HD2      LEU  37   0.407   7.599   6.982
  282    H    LEU  38           H        LEU  38   1.134   3.695   3.836
  283    HA   LEU  38           HA       LEU  38   2.376   1.807   5.444
  284   1HB   LEU  38          1HB       LEU  38   1.442   1.729   3.054
  285   2HB   LEU  38          2HB       LEU  38   3.027   2.284   2.531
  286    HG   LEU  38           HG       LEU  38   3.019  -0.112   2.359
  287   1HD1  LEU  38          1HD1      LEU  38   4.410   0.350   4.991
  288   2HD1  LEU  38          2HD1      LEU  38   5.000   1.106   3.511
  289   3HD1  LEU  38          3HD1      LEU  38   4.920  -0.652   3.632
  290   1HD2  LEU  38          1HD2      LEU  38   2.485  -1.544   4.315
  291   2HD2  LEU  38          2HD2      LEU  38   1.106  -0.551   3.842
  292   3HD2  LEU  38          3HD2      LEU  38   2.077  -0.104   5.245
  293    H    PHE  39           H        PHE  39   4.187   3.719   3.031
  294    HA   PHE  39           HA       PHE  39   6.700   3.108   4.418
  295   1HB   PHE  39          1HB       PHE  39   6.097   4.718   1.949
  296   2HB   PHE  39          2HB       PHE  39   7.653   3.993   2.374
  297    HD1  PHE  39           1HD      PHE  39   7.929   1.524   2.344
  298    HD2  PHE  39           2HD      PHE  39   4.260   3.385   1.126
  299    HE1  PHE  39           1HE      PHE  39   7.184  -0.611   1.331
  300    HE2  PHE  39           2HE      PHE  39   3.515   1.251   0.105
  301    HZ   PHE  39           HZ       PHE  39   4.976  -0.751   0.211
  302    H    VAL  40           H        VAL  40   4.697   6.049   3.958
  303    HA   VAL  40           HA       VAL  40   6.641   8.008   4.512
  304    HB   VAL  40           HB       VAL  40   4.726   9.243   5.603
  305   1HG1  VAL  40          1HG1      VAL  40   4.992   9.418   3.222
  306   2HG1  VAL  40          2HG1      VAL  40   3.278   9.136   3.529
  307   3HG1  VAL  40          3HG1      VAL  40   4.302   7.813   2.971
  308   1HG2  VAL  40          1HG2      VAL  40   2.530   8.102   5.570
  309   2HG2  VAL  40          2HG2      VAL  40   3.662   7.322   6.674
  310   3HG2  VAL  40          3HG2      VAL  40   3.331   6.604   5.097
  311    H    ARG  41           H        ARG  41   5.423   5.528   6.610
  312    HA   ARG  41           HA       ARG  41   6.222   6.770   9.126
  313   1HB   ARG  41          1HB       ARG  41   5.892   3.825   8.491
  314   2HB   ARG  41          2HB       ARG  41   5.628   4.630  10.038
  315   1HG   ARG  41          1HG       ARG  41   3.649   5.695   9.257
  316   2HG   ARG  41          2HG       ARG  41   4.024   5.333   7.575
  317   1HD   ARG  41          1HD       ARG  41   2.273   3.795   8.434
  318   2HD   ARG  41          2HD       ARG  41   3.761   2.894   8.079
  319    HE   ARG  41           HE       ARG  41   3.335   3.956  10.837
  320   1HH1  ARG  41          1HH2      ARG  41   2.664   1.287   8.868
  321   2HH1  ARG  41          2HH2      ARG  41   3.306   0.110   9.964
  322   1HH2  ARG  41          1HH1      ARG  41   4.589   2.466  12.160
  323   2HH2  ARG  41          2HH1      ARG  41   4.392   0.777  11.829
  324    H    GLY  42           H        GLY  42   7.978   5.626   6.523
  325   1HA   GLY  42          1HA       GLY  42  10.511   5.968   7.163
  326   2HA   GLY  42          2HA       GLY  42  10.199   4.559   8.180
  327    H    ALA  43           H        ALA  43   8.192   3.861   5.791
  328    HA   ALA  43           HA       ALA  43   8.339   2.408   3.916
  329   1HB   ALA  43          1HB       ALA  43  11.007   3.785   3.523
  330   2HB   ALA  43          2HB       ALA  43   9.470   4.575   3.171
  331   3HB   ALA  43          3HB       ALA  43   9.942   3.128   2.281
  332    H    GLY  44           H        GLY  44   9.489   0.462   3.162
  333   1HA   GLY  44          1HA       GLY  44  11.406  -1.058   3.341
  334   2HA   GLY  44          2HA       GLY  44  11.725  -0.393   4.940
  335    H    ASN  45           H        ASN  45   8.525  -1.391   3.729
  336    HA   ASN  45           HA       ASN  45   8.620  -3.909   5.252
  337   1HB   ASN  45          1HB       ASN  45   7.227  -1.408   6.185
  338   2HB   ASN  45          2HB       ASN  45   6.633  -2.995   6.671
  339   1HD2  ASN  45          1HD2      ASN  45   8.499  -4.493   7.568
  340   2HD2  ASN  45          2HD2      ASN  45   9.631  -3.740   8.584
  341    H    CYS  46           H        CYS  46   7.791  -5.021   3.458
  342    HA   CYS  46           HA       CYS  46   5.758  -4.230   1.662
  343   1HB   CYS  46          1HB       CYS  46   7.379  -6.300   1.893
  344   2HB   CYS  46          2HB       CYS  46   6.011  -7.035   2.720
  345    HA   PRO  47           HA       PRO  47   2.157  -4.032   4.206
  346   1HB   PRO  47          1HB       PRO  47   0.274  -4.597   2.283
  347   2HB   PRO  47          2HB       PRO  47   1.092  -3.031   2.438
  348   1HG   PRO  47          1HG       PRO  47   1.736  -5.337   0.636
  349   2HG   PRO  47          2HG       PRO  47   1.619  -3.613   0.241
  350   1HD   PRO  47          1HD       PRO  47   3.984  -4.793   0.635
  351   2HD   PRO  47          2HD       PRO  47   3.685  -3.136   1.203
  352    H    GLU  48           H        GLU  48   3.173  -6.915   2.645
  353    HA   GLU  48           HA       GLU  48   1.343  -8.471   4.434
  354   1HB   GLU  48          1HB       GLU  48   0.597  -9.832   2.680
  355   2HB   GLU  48          2HB       GLU  48   0.686  -8.244   1.921
  356   1HG   GLU  48          1HG       GLU  48   2.688 -10.508   1.694
  357   2HG   GLU  48          2HG       GLU  48   1.737  -9.778   0.399
  358    H    CYS  49           H        CYS  49   4.578  -8.225   3.056
  359    HA   CYS  49           HA       CYS  49   5.275 -10.669   4.630
  360   1HB   CYS  49          1HB       CYS  49   6.345 -11.633   2.826
  361   2HB   CYS  49          2HB       CYS  49   5.109 -10.735   1.965
  362    H    GLY  50           H        GLY  50   5.672  -7.458   4.620
  363   1HA   GLY  50          1HA       GLY  50   7.420  -5.982   5.218
  364   2HA   GLY  50          2HA       GLY  50   7.763  -7.250   6.395
  365    H    THR  51           H        THR  51   8.033  -7.719   2.918
  366    HA   THR  51           HA       THR  51  10.550  -8.934   2.925
  367    HB   THR  51           HB       THR  51   8.665  -7.774   1.049
  368    HG1  THR  51           1HG      THR  51  10.593  -9.810   1.099
  369   1HG2  THR  51          1HG2      THR  51  10.064  -7.117  -0.756
  370   2HG2  THR  51          2HG2      THR  51  11.523  -7.654   0.077
  371   3HG2  THR  51          3HG2      THR  51  10.661  -6.226   0.645
  372    HA   PRO  52           HA       PRO  52  13.525  -5.834   3.754
  373   1HB   PRO  52          1HB       PRO  52  15.505  -6.444   1.945
  374   2HB   PRO  52          2HB       PRO  52  15.188  -7.397   3.409
  375   1HG   PRO  52          1HG       PRO  52  14.307  -7.881   0.589
  376   2HG   PRO  52          2HG       PRO  52  14.956  -9.029   1.773
  377   1HD   PRO  52          1HD       PRO  52  12.312  -8.830   1.249
  378   2HD   PRO  52          2HD       PRO  52  12.924  -9.219   2.872
  379    H    LEU  53           H        LEU  53  11.773  -4.352   2.670
  380    HA   LEU  53           HA       LEU  53  12.219  -3.428  -0.043
  381   1HB   LEU  53          1HB       LEU  53  10.717  -2.444   2.391
  382   2HB   LEU  53          2HB       LEU  53  10.691  -1.564   0.863
  383    HG   LEU  53           HG       LEU  53  10.039  -4.507   0.996
  384   1HD1  LEU  53          1HD1      LEU  53   7.716  -3.996   1.294
  385   2HD1  LEU  53          2HD1      LEU  53   8.015  -2.265   1.151
  386   3HD1  LEU  53          3HD1      LEU  53   8.583  -3.143   2.570
  387   1HD2  LEU  53          1HD2      LEU  53   9.379  -2.241  -0.909
  388   2HD2  LEU  53          2HD2      LEU  53   8.738  -3.878  -1.057
  389   3HD2  LEU  53          3HD2      LEU  53  10.472  -3.592  -1.212
  390    H    ARG  54           H        ARG  54  13.518  -1.709  -0.726
  391    HA   ARG  54           HA       ARG  54  15.127  -0.332   1.401
  392   1HB   ARG  54          1HB       ARG  54  15.862  -1.964  -0.779
  393   2HB   ARG  54          2HB       ARG  54  16.295  -0.320  -1.250
  394   1HG   ARG  54          1HG       ARG  54  18.194  -1.153  -0.075
  395   2HG   ARG  54          2HG       ARG  54  17.360  -0.111   1.081
  396   1HD   ARG  54          1HD       ARG  54  16.346  -2.858   1.156
  397   2HD   ARG  54          2HD       ARG  54  18.079  -2.767   1.527
  398    HE   ARG  54           HE       ARG  54  16.038  -1.031   2.887
  399   1HH1  ARG  54          1HH2      ARG  54  19.299  -1.532   2.812
  400   2HH1  ARG  54          2HH2      ARG  54  19.482  -1.933   4.487
  401   1HH2  ARG  54          1HH1      ARG  54  16.074  -2.181   5.074
  402   2HH2  ARG  54          2HH1      ARG  54  17.657  -2.301   5.767
  403    H    LYS  55           H        LYS  55  12.646   0.209  -0.727
  404    HA   LYS  55           HA       LYS  55  13.012   3.099  -0.622
  405   1HB   LYS  55          1HB       LYS  55  13.381   3.467  -2.968
  406   2HB   LYS  55          2HB       LYS  55  14.548   2.247  -2.464
  407   1HG   LYS  55          1HG       LYS  55  11.859   1.489  -3.613
  408   2HG   LYS  55          2HG       LYS  55  13.254   1.798  -4.643
  409   1HD   LYS  55          1HD       LYS  55  14.527   0.102  -3.257
  410   2HD   LYS  55          2HD       LYS  55  12.998  -0.308  -2.481
  411   1HE   LYS  55          1HE       LYS  55  12.575  -1.714  -4.213
  412   2HE   LYS  55          2HE       LYS  55  12.519  -0.303  -5.290
  413   1HZ   LYS  55          1HZ       LYS  55  15.035  -0.404  -5.211
  414   2HZ   LYS  55          2HZ       LYS  55  14.274  -1.649  -6.080
  415   3HZ   LYS  55          3HZ       LYS  55  14.872  -1.944  -4.518
  416    H    SER  56           H        SER  56  10.981   0.905  -0.067
  417    HA   SER  56           HA       SER  56   8.617   0.795  -0.101
  418   1HB   SER  56          1HB       SER  56   8.406   3.239  -1.764
  419   2HB   SER  56          2HB       SER  56   7.672   2.874  -0.206
  420    HG   SER  56           HG       SER  56   9.151   4.094   0.593
  421    H    ASN  57           H        ASN  57   9.663   2.223  -3.222
  422    HA   ASN  57           HA       ASN  57   8.937   1.718  -5.425
  423   1HB   ASN  57          1HB       ASN  57   9.471  -0.917  -5.672
  424   2HB   ASN  57          2HB       ASN  57  10.737   0.296  -5.502
  425   1HD2  ASN  57          1HD2      ASN  57   9.685  -2.632  -4.258
  426   2HD2  ASN  57          2HD2      ASN  57  10.450  -2.566  -2.746
  427    H    PHE  58           H        PHE  58   6.737   1.900  -5.838
  428    HA   PHE  58           HA       PHE  58   5.087  -0.563  -5.354
  429   1HB   PHE  58          1HB       PHE  58   3.620   1.991  -5.487
  430   2HB   PHE  58          2HB       PHE  58   3.431   0.662  -4.349
  431    HD1  PHE  58           1HD      PHE  58   4.643   3.983  -4.809
  432    HD2  PHE  58           2HD      PHE  58   5.204   0.403  -2.512
  433    HE1  PHE  58           1HE      PHE  58   5.743   5.303  -3.023
  434    HE2  PHE  58           2HE      PHE  58   6.303   1.719  -0.735
  435    HZ   PHE  58           HZ       PHE  58   6.574   4.166  -0.983
  436    H    ARG  59           H        ARG  59   4.829  -1.375  -7.445
  437    HA   ARG  59           HA       ARG  59   4.498   0.527  -9.705
  438   1HB   ARG  59          1HB       ARG  59   4.286  -1.786 -10.937
  439   2HB   ARG  59          2HB       ARG  59   5.856  -1.288 -10.320
  440   1HG   ARG  59          1HG       ARG  59   5.879  -2.902  -8.698
  441   2HG   ARG  59          2HG       ARG  59   4.142  -2.800  -8.430
  442   1HD   ARG  59          1HD       ARG  59   4.865  -4.975  -9.489
  443   2HD   ARG  59          2HD       ARG  59   3.713  -4.066 -10.486
  444    HE   ARG  59           HE       ARG  59   5.531  -3.473 -11.955
  445   1HH1  ARG  59          1HH2      ARG  59   6.182  -6.172 -10.121
  446   2HH1  ARG  59          2HH2      ARG  59   7.904  -6.111 -10.296
  447   1HH2  ARG  59          1HH1      ARG  59   7.908  -2.977 -11.780
  448   2HH2  ARG  59          2HH1      ARG  59   8.881  -4.303 -11.235
  449    H    VAL  60           H        VAL  60   2.481   1.372  -9.804
  450    HA   VAL  60           HA       VAL  60   0.158  -0.081  -8.774
  451    HB   VAL  60           HB       VAL  60   0.400   2.235  -8.270
  452   1HG1  VAL  60          1HG1      VAL  60   1.779   3.211  -9.857
  453   2HG1  VAL  60          2HG1      VAL  60   0.215   3.812 -10.409
  454   3HG1  VAL  60          3HG1      VAL  60   0.958   2.425 -11.206
  455   1HG2  VAL  60          1HG2      VAL  60  -1.645   2.337 -10.466
  456   2HG2  VAL  60          2HG2      VAL  60  -1.742   2.969  -8.823
  457   3HG2  VAL  60          3HG2      VAL  60  -1.893   1.236  -9.110
  458    H    GLN  61           H        GLN  61  -1.693  -0.608  -9.907
  459    HA   GLN  61           HA       GLN  61  -2.251  -0.213 -12.663
  460   1HB   GLN  61          1HB       GLN  61  -1.571  -2.588 -13.386
  461   2HB   GLN  61          2HB       GLN  61  -0.249  -1.447 -13.142
  462   1HG   GLN  61          1HG       GLN  61   0.583  -2.639 -11.404
  463   2HG   GLN  61          2HG       GLN  61  -1.014  -2.846 -10.682
  464   1HE2  GLN  61          1HE2      GLN  61  -2.371  -4.654 -11.572
  465   2HE2  GLN  61          2HE2      GLN  61  -1.613  -5.986 -12.299
  466    H    LEU  62           H        LEU  62  -4.046  -1.784 -13.360
  467    HA   LEU  62           HA       LEU  62  -5.212  -3.694 -11.580
  468   1HB   LEU  62          1HB       LEU  62  -5.329  -1.164 -10.556
  469   2HB   LEU  62          2HB       LEU  62  -6.861  -1.239 -11.416
  470    HG   LEU  62           HG       LEU  62  -7.444  -3.310 -10.216
  471   1HD1  LEU  62          1HD1      LEU  62  -4.711  -2.910  -8.978
  472   2HD1  LEU  62          2HD1      LEU  62  -5.312  -4.329  -9.836
  473   3HD1  LEU  62          3HD1      LEU  62  -5.947  -3.928  -8.242
  474   1HD2  LEU  62          1HD2      LEU  62  -6.579  -1.624  -7.942
  475   2HD2  LEU  62          2HD2      LEU  62  -8.198  -2.161  -8.394
  476   3HD2  LEU  62          3HD2      LEU  62  -7.474  -0.771  -9.201
  477    H    PHE  63           H        PHE  63  -6.237  -0.964 -13.665
  478    HA   PHE  63           HA       PHE  63  -8.084  -2.840 -15.086
  479   1HB   PHE  63          1HB       PHE  63  -8.608  -0.488 -13.895
  480   2HB   PHE  63          2HB       PHE  63  -8.125   0.119 -15.478
  481    HD1  PHE  63           1HD      PHE  63  -9.652   0.094 -17.264
  482    HD2  PHE  63           2HD      PHE  63 -10.347  -2.416 -13.848
  483    HE1  PHE  63           1HE      PHE  63 -11.869  -0.538 -18.180
  484    HE2  PHE  63           2HE      PHE  63 -12.564  -3.048 -14.763
  485    HZ   PHE  63           HZ       PHE  63 -13.324  -2.109 -16.929
  486    H    GLU  64           H        GLU  64  -7.126  -3.646 -16.918
  487    HA   GLU  64           HA       GLU  64  -4.907  -2.362 -18.266
  488   1HB   GLU  64          1HB       GLU  64  -5.384  -4.209 -19.926
  489   2HB   GLU  64          2HB       GLU  64  -5.213  -4.770 -18.263
  490   1HG   GLU  64          1HG       GLU  64  -7.932  -4.096 -18.553
  491   2HG   GLU  64          2HG       GLU  64  -7.504  -4.962 -20.028
  492    H    ASP  65           H        ASP  65  -6.552  -0.283 -18.261
  493    HA   ASP  65           HA       ASP  65  -7.867   1.194 -19.572
  494   1HB   ASP  65          1HB       ASP  65  -5.683   1.043 -20.737
  495   2HB   ASP  65          2HB       ASP  65  -6.286  -0.323 -21.675
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -9.576  -8.257  -6.440
    2   2H    MET   1          2HT       MET   1  -8.682  -7.913  -5.037
    3   3H    MET   1          3HT       MET   1  -9.632  -6.705  -5.760
    4    HA   MET   1           HA       MET   1 -11.574  -8.379  -5.330
    5   1HB   MET   1          1HB       MET   1  -9.388  -9.127  -3.360
    6   2HB   MET   1          2HB       MET   1 -11.043  -9.736  -3.318
    7   1HG   MET   1          1HG       MET   1 -10.745 -10.739  -5.542
    8   2HG   MET   1          2HG       MET   1  -9.105 -10.092  -5.627
    9   1HE   MET   1          1HE       MET   1 -11.525 -11.603  -3.378
   10   2HE   MET   1          2HE       MET   1 -10.681 -12.748  -2.341
   11   3HE   MET   1          3HE       MET   1 -11.236 -13.258  -3.934
   12    H    ASP   2           H        ASP   2 -12.379  -6.212  -5.005
   13    HA   ASP   2           HA       ASP   2 -11.623  -4.244  -3.207
   14   1HB   ASP   2          1HB       ASP   2 -14.184  -3.885  -3.052
   15   2HB   ASP   2          2HB       ASP   2 -13.467  -3.890  -4.663
   16    H    ASP   3           H        ASP   3 -13.793  -7.005  -2.442
   17    HA   ASP   3           HA       ASP   3 -14.414  -6.599   0.206
   18   1HB   ASP   3          1HB       ASP   3 -15.130  -8.564  -0.961
   19   2HB   ASP   3          2HB       ASP   3 -13.468  -9.076  -1.254
   20    H    GLN   4           H        GLN   4 -11.235  -7.377  -1.088
   21    HA   GLN   4           HA       GLN   4 -10.103  -7.055   1.670
   22   1HB   GLN   4          1HB       GLN   4 -10.053  -9.400   1.114
   23   2HB   GLN   4          2HB       GLN   4  -9.464  -9.059  -0.514
   24   1HG   GLN   4          1HG       GLN   4  -7.316  -8.496   0.251
   25   2HG   GLN   4          2HG       GLN   4  -7.881  -8.172   1.891
   26   1HE2  GLN   4          1HE2      GLN   4  -5.944  -9.771   2.305
   27   2HE2  GLN   4          2HE2      GLN   4  -6.331 -11.424   2.334
   28    H    GLY   5           H        GLY   5  -8.481  -7.647  -1.426
   29   1HA   GLY   5          1HA       GLY   5  -6.709  -6.424  -2.401
   30   2HA   GLY   5          2HA       GLY   5  -7.901  -5.124  -2.358
   31    H    CYS   6           H        CYS   6  -7.227  -3.337  -1.290
   32    HA   CYS   6           HA       CYS   6  -4.832  -2.851  -0.071
   33   1HB   CYS   6          1HB       CYS   6  -6.332  -1.060  -0.427
   34   2HB   CYS   6          2HB       CYS   6  -7.633  -1.858   0.440
   35    HA   PRO   7           HA       PRO   7  -5.223  -5.415   3.598
   36   1HB   PRO   7          1HB       PRO   7  -2.529  -5.688   3.975
   37   2HB   PRO   7          2HB       PRO   7  -3.444  -6.650   2.800
   38   1HG   PRO   7          1HG       PRO   7  -1.549  -4.451   2.368
   39   2HG   PRO   7          2HG       PRO   7  -2.075  -5.719   1.257
   40   1HD   PRO   7          1HD       PRO   7  -2.954  -2.992   1.387
   41   2HD   PRO   7          2HD       PRO   7  -3.482  -4.262   0.264
   42    H    ARG   8           H        ARG   8  -3.804  -2.285   3.157
   43    HA   ARG   8           HA       ARG   8  -3.283  -1.989   6.088
   44   1HB   ARG   8          1HB       ARG   8  -1.749  -1.379   3.952
   45   2HB   ARG   8          2HB       ARG   8  -2.622   0.148   4.111
   46   1HG   ARG   8          1HG       ARG   8  -1.687   0.619   6.169
   47   2HG   ARG   8          2HG       ARG   8  -1.486  -1.083   6.586
   48   1HD   ARG   8          1HD       ARG   8   0.454  -1.291   5.200
   49   2HD   ARG   8          2HD       ARG   8   0.114   0.241   4.371
   50    HE   ARG   8           HE       ARG   8   1.128   1.340   6.209
   51   1HH1  ARG   8          1HH2      ARG   8   1.915  -1.729   6.774
   52   2HH1  ARG   8          2HH2      ARG   8   1.743  -1.713   8.498
   53   1HH2  ARG   8          1HH1      ARG   8   0.101   1.340   8.572
   54   2HH2  ARG   8          2HH1      ARG   8   0.717   0.025   9.516
   55    H    CYS   9           H        CYS   9  -4.547   0.175   3.521
   56    HA   CYS   9           HA       CYS   9  -6.385   1.374   5.550
   57   1HB   CYS   9          1HB       CYS   9  -6.666   2.796   3.157
   58   2HB   CYS   9          2HB       CYS   9  -5.702   3.269   4.541
   59    H    LYS  10           H        LYS  10  -7.661  -0.870   5.159
   60    HA   LYS  10           HA       LYS  10  -9.020  -1.554   2.862
   61   1HB   LYS  10          1HB       LYS  10 -10.468  -2.711   4.286
   62   2HB   LYS  10          2HB       LYS  10  -9.089  -2.421   5.339
   63   1HG   LYS  10          1HG       LYS  10 -10.344  -0.247   6.008
   64   2HG   LYS  10          2HG       LYS  10 -11.757  -1.033   5.300
   65   1HD   LYS  10          1HD       LYS  10 -10.008  -2.379   7.376
   66   2HD   LYS  10          2HD       LYS  10 -11.413  -1.403   7.809
   67   1HE   LYS  10          1HE       LYS  10 -12.472  -3.456   7.628
   68   2HE   LYS  10          2HE       LYS  10 -12.527  -3.004   5.913
   69   1HZ   LYS  10          1HZ       LYS  10 -10.487  -4.156   5.533
   70   2HZ   LYS  10          2HZ       LYS  10 -11.504  -5.226   6.374
   71   3HZ   LYS  10          3HZ       LYS  10 -10.247  -4.426   7.191
   72    H    THR  11           H        THR  11  -9.448   0.237   1.551
   73    HA   THR  11           HA       THR  11 -12.022   1.429   1.536
   74    HB   THR  11           HB       THR  11 -11.172   2.535   3.617
   75    HG1  THR  11           1HG      THR  11 -12.490   3.906   2.665
   76   1HG2  THR  11          1HG2      THR  11  -8.964   2.969   3.653
   77   2HG2  THR  11          2HG2      THR  11  -9.299   4.338   2.592
   78   3HG2  THR  11          3HG2      THR  11  -8.846   2.777   1.903
   79    H    THR  12           H        THR  12 -10.187   0.307  -0.317
   80    HA   THR  12           HA       THR  12  -9.348   2.697  -1.909
   81    HB   THR  12           HB       THR  12  -7.480   1.265  -2.606
   82    HG1  THR  12           1HG      THR  12  -9.014  -0.663  -2.010
   83   1HG2  THR  12          1HG2      THR  12  -6.693   2.349  -0.791
   84   2HG2  THR  12          2HG2      THR  12  -6.873   0.795   0.025
   85   3HG2  THR  12          3HG2      THR  12  -8.143   2.010   0.147
   86    H    LYS  13           H        LYS  13  -8.674   0.076  -3.764
   87    HA   LYS  13           HA       LYS  13 -10.501   0.603  -5.776
   88   1HB   LYS  13          1HB       LYS  13  -9.346  -1.098  -6.731
   89   2HB   LYS  13          2HB       LYS  13  -8.485  -1.219  -5.209
   90   1HG   LYS  13          1HG       LYS  13 -11.089  -2.674  -5.419
   91   2HG   LYS  13          2HG       LYS  13  -9.699  -3.329  -6.276
   92   1HD   LYS  13          1HD       LYS  13  -8.457  -2.878  -4.002
   93   2HD   LYS  13          2HD       LYS  13 -10.091  -2.931  -3.328
   94   1HE   LYS  13          1HE       LYS  13  -9.548  -5.204  -3.237
   95   2HE   LYS  13          2HE       LYS  13 -10.213  -5.132  -4.882
   96   1HZ   LYS  13          1HZ       LYS  13  -7.953  -4.610  -5.672
   97   2HZ   LYS  13          2HZ       LYS  13  -8.034  -6.139  -4.938
   98   3HZ   LYS  13          3HZ       LYS  13  -7.359  -4.825  -4.100
   99    H    TYR  14           H        TYR  14 -11.074  -1.027  -2.750
  100    HA   TYR  14           HA       TYR  14 -13.645  -2.169  -3.529
  101   1HB   TYR  14          1HB       TYR  14 -12.316  -3.178  -1.763
  102   2HB   TYR  14          2HB       TYR  14 -12.259  -1.656  -0.880
  103    HD1  TYR  14           1HD      TYR  14 -15.392  -2.291  -2.556
  104    HD2  TYR  14           2HD      TYR  14 -13.191  -3.062   1.052
  105    HE1  TYR  14           1HE      TYR  14 -17.500  -2.892  -1.398
  106    HE2  TYR  14           2HE      TYR  14 -15.299  -3.663   2.208
  107    HH   TYR  14           HH       TYR  14 -18.109  -4.385   0.650
  108    H    ARG  15           H        ARG  15 -12.581   0.529  -1.499
  109    HA   ARG  15           HA       ARG  15 -15.292   1.721  -1.482
  110   1HB   ARG  15          1HB       ARG  15 -12.641   2.118  -0.122
  111   2HB   ARG  15          2HB       ARG  15 -13.856   3.381  -0.024
  112   1HG   ARG  15          1HG       ARG  15 -13.922   1.747   1.892
  113   2HG   ARG  15          2HG       ARG  15 -15.437   1.851   0.999
  114   1HD   ARG  15          1HD       ARG  15 -14.913  -0.507   1.405
  115   2HD   ARG  15          2HD       ARG  15 -14.710  -0.185  -0.320
  116    HE   ARG  15           HE       ARG  15 -12.272  -0.128   0.057
  117   1HH1  ARG  15          1HH1      ARG  15 -13.964  -0.325   3.011
  118   2HH1  ARG  15          2HH1      ARG  15 -12.802  -1.354   3.781
  119   1HH2  ARG  15          1HH2      ARG  15 -10.880  -1.766   0.924
  120   2HH2  ARG  15          2HH2      ARG  15 -11.054  -2.165   2.600
  121    H    ASN  16           H        ASN  16 -11.983   2.837  -2.110
  122    HA   ASN  16           HA       ASN  16 -12.761   5.121  -3.744
  123   1HB   ASN  16          1HB       ASN  16 -10.482   3.923  -2.440
  124   2HB   ASN  16          2HB       ASN  16 -10.033   4.388  -4.071
  125   1HD2  ASN  16          1HD2      ASN  16  -8.663   5.946  -2.626
  126   2HD2  ASN  16          2HD2      ASN  16  -9.379   7.440  -2.243
  127    HA   PRO  17           HA       PRO  17 -13.058   2.322  -7.288
  128   1HB   PRO  17          1HB       PRO  17 -14.296   4.138  -8.929
  129   2HB   PRO  17          2HB       PRO  17 -15.164   3.178  -7.713
  130   1HG   PRO  17          1HG       PRO  17 -14.251   6.014  -7.618
  131   2HG   PRO  17          2HG       PRO  17 -15.737   5.286  -6.990
  132   1HD   PRO  17          1HD       PRO  17 -13.550   5.936  -5.453
  133   2HD   PRO  17          2HD       PRO  17 -14.741   4.689  -5.019
  134    H    SER  18           H        SER  18 -12.244   5.798  -7.683
  135    HA   SER  18           HA       SER  18 -10.535   5.328  -9.990
  136   1HB   SER  18          1HB       SER  18 -10.456   7.715  -8.146
  137   2HB   SER  18          2HB       SER  18 -10.255   7.675  -9.895
  138    HG   SER  18           HG       SER  18 -12.289   8.278  -9.767
  139    H    LEU  19           H        LEU  19  -9.571   3.512  -8.235
  140    HA   LEU  19           HA       LEU  19  -6.921   4.645  -7.472
  141   1HB   LEU  19          1HB       LEU  19  -8.038   4.794  -5.412
  142   2HB   LEU  19          2HB       LEU  19  -9.012   3.361  -5.730
  143    HG   LEU  19           HG       LEU  19  -6.022   3.117  -5.454
  144   1HD1  LEU  19          1HD1      LEU  19  -6.296   2.752  -3.053
  145   2HD1  LEU  19          2HD1      LEU  19  -8.024   3.085  -3.179
  146   3HD1  LEU  19          3HD1      LEU  19  -6.853   4.371  -3.476
  147   1HD2  LEU  19          1HD2      LEU  19  -6.828   1.042  -6.061
  148   2HD2  LEU  19          2HD2      LEU  19  -8.432   1.363  -5.409
  149   3HD2  LEU  19          3HD2      LEU  19  -7.111   0.924  -4.330
  150    H    LYS  20           H        LYS  20  -5.309   2.890  -7.134
  151    HA   LYS  20           HA       LYS  20  -6.106   0.232  -8.238
  152   1HB   LYS  20          1HB       LYS  20  -3.897   0.450  -9.590
  153   2HB   LYS  20          2HB       LYS  20  -5.286   1.376 -10.157
  154   1HG   LYS  20          1HG       LYS  20  -3.499   2.680  -8.156
  155   2HG   LYS  20          2HG       LYS  20  -2.878   2.499  -9.797
  156   1HD   LYS  20          1HD       LYS  20  -5.648   3.584  -9.344
  157   2HD   LYS  20          2HD       LYS  20  -4.247   4.645  -9.189
  158   1HE   LYS  20          1HE       LYS  20  -3.820   4.605 -11.451
  159   2HE   LYS  20          2HE       LYS  20  -4.322   2.910 -11.613
  160   1HZ   LYS  20          1HZ       LYS  20  -6.026   5.327 -11.358
  161   2HZ   LYS  20          2HZ       LYS  20  -6.630   3.767 -11.061
  162   3HZ   LYS  20          3HZ       LYS  20  -6.034   4.171 -12.600
  163    H    LEU  21           H        LEU  21  -4.064  -1.284  -8.004
  164    HA   LEU  21           HA       LEU  21  -2.930  -0.789  -5.279
  165   1HB   LEU  21          1HB       LEU  21  -3.865  -3.156  -6.854
  166   2HB   LEU  21          2HB       LEU  21  -2.611  -3.413  -5.643
  167    HG   LEU  21           HG       LEU  21  -4.012  -2.725  -3.873
  168   1HD1  LEU  21          1HD1      LEU  21  -5.957  -1.623  -5.931
  169   2HD1  LEU  21          2HD1      LEU  21  -4.835  -0.641  -4.993
  170   3HD1  LEU  21          3HD1      LEU  21  -6.126  -1.521  -4.180
  171   1HD2  LEU  21          1HD2      LEU  21  -6.251  -3.831  -5.454
  172   2HD2  LEU  21          2HD2      LEU  21  -5.547  -4.403  -3.941
  173   3HD2  LEU  21          3HD2      LEU  21  -4.772  -4.793  -5.475
  174    H    MET  22           H        MET  22  -0.676  -0.957  -4.969
  175    HA   MET  22           HA       MET  22   0.927  -1.294  -7.466
  176   1HB   MET  22          1HB       MET  22   2.297  -0.016  -5.241
  177   2HB   MET  22          2HB       MET  22   2.026   0.597  -6.858
  178   1HG   MET  22          1HG       MET  22  -0.245   1.315  -6.205
  179   2HG   MET  22          2HG       MET  22   0.027   0.702  -4.580
  180   1HE   MET  22          1HE       MET  22   2.691   2.581  -6.896
  181   2HE   MET  22          2HE       MET  22   3.315   1.621  -5.558
  182   3HE   MET  22          3HE       MET  22   3.503   3.372  -5.539
  183    H    VAL  23           H        VAL  23   2.485  -2.852  -7.496
  184    HA   VAL  23           HA       VAL  23   2.797  -4.521  -5.030
  185    HB   VAL  23           HB       VAL  23   2.804  -4.964  -7.999
  186   1HG1  VAL  23          1HG1      VAL  23   4.343  -6.537  -5.954
  187   2HG1  VAL  23          2HG1      VAL  23   4.807  -6.100  -7.598
  188   3HG1  VAL  23          3HG1      VAL  23   3.612  -7.368  -7.326
  189   1HG2  VAL  23          1HG2      VAL  23   1.726  -7.074  -6.364
  190   2HG2  VAL  23          2HG2      VAL  23   0.879  -6.007  -7.483
  191   3HG2  VAL  23          3HG2      VAL  23   1.102  -5.523  -5.803
  192    H    ASN  24           H        ASN  24   4.989  -5.396  -4.622
  193    HA   ASN  24           HA       ASN  24   7.141  -3.573  -5.641
  194   1HB   ASN  24          1HB       ASN  24   8.043  -4.594  -3.234
  195   2HB   ASN  24          2HB       ASN  24   7.280  -3.022  -3.449
  196   1HD2  ASN  24          1HD2      ASN  24   4.704  -3.226  -3.448
  197   2HD2  ASN  24          2HD2      ASN  24   4.064  -4.215  -2.226
  198    H    VAL  25           H        VAL  25   9.381  -4.652  -5.214
  199    HA   VAL  25           HA       VAL  25  10.053  -6.580  -6.957
  200    HB   VAL  25           HB       VAL  25  11.753  -5.589  -5.687
  201   1HG1  VAL  25          1HG1      VAL  25  11.456  -6.579  -3.042
  202   2HG1  VAL  25          2HG1      VAL  25   9.889  -5.933  -3.527
  203   3HG1  VAL  25          3HG1      VAL  25  11.324  -4.909  -3.591
  204   1HG2  VAL  25          1HG2      VAL  25  11.791  -8.238  -4.290
  205   2HG2  VAL  25          2HG2      VAL  25  13.102  -7.378  -5.096
  206   3HG2  VAL  25          3HG2      VAL  25  11.872  -8.206  -6.051
  207    H    CYS  26           H        CYS  26   9.639  -7.789  -3.575
  208    HA   CYS  26           HA       CYS  26   9.491 -10.494  -4.113
  209   1HB   CYS  26          1HB       CYS  26   8.180 -10.633  -2.046
  210   2HB   CYS  26          2HB       CYS  26   9.385  -9.355  -1.887
  211    H    GLY  27           H        GLY  27   7.064  -8.070  -4.835
  212   1HA   GLY  27          1HA       GLY  27   5.226  -8.259  -6.303
  213   2HA   GLY  27          2HA       GLY  27   5.642  -9.952  -6.550
  214    H    HIS  28           H        HIS  28   3.767  -7.711  -4.617
  215    HA   HIS  28           HA       HIS  28   2.196 -10.024  -3.618
  216   1HB   HIS  28          1HB       HIS  28   3.928  -8.204  -2.051
  217   2HB   HIS  28          2HB       HIS  28   2.329  -8.501  -1.361
  218    HD2  HIS  28           2HD      HIS  28   2.206 -11.685  -2.554
  219    HE1  HIS  28           1HE      HIS  28   5.455 -12.252   0.069
  220    HE2  HIS  28           2HE      HIS  28   3.663 -13.426  -1.277
  221    H    THR  29           H        THR  29   1.704  -6.955  -2.059
  222    HA   THR  29           HA       THR  29  -0.112  -5.849  -4.044
  223    HB   THR  29           HB       THR  29  -1.097  -7.651  -1.836
  224    HG1  THR  29           1HG      THR  29  -2.545  -8.018  -3.831
  225   1HG2  THR  29          1HG2      THR  29  -2.690  -6.110  -1.347
  226   2HG2  THR  29          2HG2      THR  29  -3.378  -6.525  -2.916
  227   3HG2  THR  29          3HG2      THR  29  -2.303  -5.135  -2.765
  228    H    LEU  30           H        LEU  30  -0.475  -3.746  -3.551
  229    HA   LEU  30           HA       LEU  30  -0.618  -2.793  -0.763
  230   1HB   LEU  30          1HB       LEU  30   1.815  -2.965  -1.474
  231   2HB   LEU  30          2HB       LEU  30   1.479  -1.732  -2.675
  232    HG   LEU  30           HG       LEU  30   0.562  -0.376  -0.672
  233   1HD1  LEU  30          1HD1      LEU  30   1.509  -0.926   1.488
  234   2HD1  LEU  30          2HD1      LEU  30   2.354  -2.305   0.793
  235   3HD1  LEU  30          3HD1      LEU  30   0.595  -2.312   0.895
  236   1HD2  LEU  30          1HD2      LEU  30   2.871  -0.271  -1.981
  237   2HD2  LEU  30          2HD2      LEU  30   3.499  -0.782  -0.412
  238   3HD2  LEU  30          3HD2      LEU  30   2.584   0.715  -0.550
  239    H    CYS  31           H        CYS  31  -2.710  -2.089  -1.383
  240    HA   CYS  31           HA       CYS  31  -3.620  -0.871  -3.660
  241   1HB   CYS  31          1HB       CYS  31  -5.417  -0.495  -2.342
  242   2HB   CYS  31          2HB       CYS  31  -4.467  -1.269  -1.084
  243    H    GLU  32           H        GLU  32  -4.065   1.505  -4.082
  244    HA   GLU  32           HA       GLU  32  -1.599   2.978  -4.218
  245   1HB   GLU  32          1HB       GLU  32  -2.898   4.314  -5.542
  246   2HB   GLU  32          2HB       GLU  32  -4.154   3.106  -5.296
  247   1HG   GLU  32          1HG       GLU  32  -4.985   4.376  -3.340
  248   2HG   GLU  32          2HG       GLU  32  -3.735   5.590  -3.604
  249    H    SER  33           H        SER  33  -4.399   3.175  -2.048
  250    HA   SER  33           HA       SER  33  -3.446   5.311  -0.401
  251   1HB   SER  33          1HB       SER  33  -5.250   3.039   0.491
  252   2HB   SER  33          2HB       SER  33  -5.316   4.741   0.945
  253    HG   SER  33           HG       SER  33  -6.463   5.145  -0.740
  254    H    CYS  34           H        CYS  34  -2.262   2.060  -0.642
  255    HA   CYS  34           HA       CYS  34  -1.435   1.937   2.197
  256   1HB   CYS  34          1HB       CYS  34  -1.195   0.193  -0.251
  257   2HB   CYS  34          2HB       CYS  34  -0.110  -0.071   1.113
  258    H    VAL  35           H        VAL  35   0.164   2.113  -0.991
  259    HA   VAL  35           HA       VAL  35   2.825   2.462  -0.206
  260    HB   VAL  35           HB       VAL  35   1.084   2.954  -2.488
  261   1HG1  VAL  35          1HG1      VAL  35   1.614   5.232  -2.559
  262   2HG1  VAL  35          2HG1      VAL  35   2.880   4.526  -3.563
  263   3HG1  VAL  35          3HG1      VAL  35   3.226   4.976  -1.892
  264   1HG2  VAL  35          1HG2      VAL  35   2.539   1.431  -3.245
  265   2HG2  VAL  35          2HG2      VAL  35   3.551   1.666  -1.826
  266   3HG2  VAL  35          3HG2      VAL  35   3.797   2.666  -3.254
  267    H    ASP  36           H        ASP  36   0.143   4.634   0.280
  268    HA   ASP  36           HA       ASP  36   1.842   6.995   0.714
  269   1HB   ASP  36          1HB       ASP  36  -0.149   8.033   0.382
  270   2HB   ASP  36          2HB       ASP  36  -0.816   6.443   0.041
  271    H    LEU  37           H        LEU  37  -0.317   5.018   2.818
  272    HA   LEU  37           HA       LEU  37   0.767   6.206   5.260
  273   1HB   LEU  37          1HB       LEU  37  -1.310   4.304   4.386
  274   2HB   LEU  37          2HB       LEU  37  -0.616   3.932   5.965
  275    HG   LEU  37           HG       LEU  37  -2.609   5.457   6.079
  276   1HD1  LEU  37          1HD1      LEU  37  -1.179   5.585   7.950
  277   2HD1  LEU  37          2HD1      LEU  37  -1.348   7.265   7.437
  278   3HD1  LEU  37          3HD1      LEU  37   0.107   6.359   7.024
  279   1HD2  LEU  37          1HD2      LEU  37  -1.862   7.924   5.458
  280   2HD2  LEU  37          2HD2      LEU  37  -2.551   6.864   4.230
  281   3HD2  LEU  37          3HD2      LEU  37  -0.805   7.087   4.323
  282    H    LEU  38           H        LEU  38   1.504   3.436   3.282
  283    HA   LEU  38           HA       LEU  38   2.867   1.819   5.230
  284   1HB   LEU  38          1HB       LEU  38   1.971   1.368   2.818
  285   2HB   LEU  38          2HB       LEU  38   3.533   1.991   2.291
  286    HG   LEU  38           HG       LEU  38   3.848  -0.353   2.451
  287   1HD1  LEU  38          1HD1      LEU  38   5.518  -0.578   4.133
  288   2HD1  LEU  38          2HD1      LEU  38   4.720   0.584   5.193
  289   3HD1  LEU  38          3HD1      LEU  38   5.517   1.136   3.722
  290   1HD2  LEU  38          1HD2      LEU  38   2.531  -0.240   5.186
  291   2HD2  LEU  38          2HD2      LEU  38   3.085  -1.690   4.347
  292   3HD2  LEU  38          3HD2      LEU  38   1.725  -0.766   3.708
  293    H    PHE  39           H        PHE  39   4.034   4.273   2.908
  294    HA   PHE  39           HA       PHE  39   6.797   4.016   3.880
  295   1HB   PHE  39          1HB       PHE  39   5.573   5.960   1.930
  296   2HB   PHE  39          2HB       PHE  39   7.267   5.465   2.016
  297    HD1  PHE  39           1HD      PHE  39   5.510   5.206  -0.472
  298    HD2  PHE  39           2HD      PHE  39   6.321   2.499   2.761
  299    HE1  PHE  39           1HE      PHE  39   4.978   3.281  -1.940
  300    HE2  PHE  39           2HE      PHE  39   5.787   0.578   1.295
  301    HZ   PHE  39           HZ       PHE  39   5.096   0.969  -1.045
  302    H    VAL  40           H        VAL  40   4.263   6.545   3.895
  303    HA   VAL  40           HA       VAL  40   5.780   8.612   5.093
  304    HB   VAL  40           HB       VAL  40   3.561   9.436   5.818
  305   1HG1  VAL  40          1HG1      VAL  40   2.382   8.939   3.508
  306   2HG1  VAL  40          2HG1      VAL  40   3.943   8.222   3.111
  307   3HG1  VAL  40          3HG1      VAL  40   3.845   9.922   3.568
  308   1HG2  VAL  40          1HG2      VAL  40   2.858   6.563   5.364
  309   2HG2  VAL  40          2HG2      VAL  40   1.632   7.809   5.120
  310   3HG2  VAL  40          3HG2      VAL  40   2.403   7.629   6.695
  311    H    ARG  41           H        ARG  41   4.774   5.588   6.420
  312    HA   ARG  41           HA       ARG  41   5.440   6.555   9.180
  313   1HB   ARG  41          1HB       ARG  41   3.818   4.118   8.439
  314   2HB   ARG  41          2HB       ARG  41   3.821   5.005   9.963
  315   1HG   ARG  41          1HG       ARG  41   2.936   7.003   8.648
  316   2HG   ARG  41          2HG       ARG  41   2.699   5.899   7.294
  317   1HD   ARG  41          1HD       ARG  41   1.553   5.323  10.046
  318   2HD   ARG  41          2HD       ARG  41   0.660   6.255   8.829
  319    HE   ARG  41           HE       ARG  41   0.440   4.251   7.552
  320   1HH1  ARG  41          1HH2      ARG  41   0.961   3.175  10.503
  321   2HH1  ARG  41          2HH2      ARG  41   1.965   1.817  10.116
  322   1HH2  ARG  41          1HH1      ARG  41   2.521   2.825   6.844
  323   2HH2  ARG  41          2HH1      ARG  41   2.849   1.621   8.044
  324    H    GLY  42           H        GLY  42   7.090   5.207   6.819
  325   1HA   GLY  42          1HA       GLY  42   9.011   3.898   8.378
  326   2HA   GLY  42          2HA       GLY  42   7.882   2.638   7.885
  327    H    ALA  43           H        ALA  43   7.310   2.933   5.365
  328    HA   ALA  43           HA       ALA  43   8.147   2.814   3.144
  329   1HB   ALA  43          1HB       ALA  43  10.555   4.349   3.521
  330   2HB   ALA  43          2HB       ALA  43   9.252   5.086   4.452
  331   3HB   ALA  43          3HB       ALA  43   9.062   4.834   2.716
  332    H    GLY  44           H        GLY  44   8.839   0.675   2.948
  333   1HA   GLY  44          1HA       GLY  44  11.028  -0.455   2.298
  334   2HA   GLY  44          2HA       GLY  44  11.627   0.085   3.867
  335    H    ASN  45           H        ASN  45   8.370  -1.159   3.257
  336    HA   ASN  45           HA       ASN  45   9.051  -3.782   4.452
  337   1HB   ASN  45          1HB       ASN  45   7.072  -1.874   5.734
  338   2HB   ASN  45          2HB       ASN  45   7.585  -3.441   6.359
  339   1HD2  ASN  45          1HD2      ASN  45   8.626  -0.082   5.844
  340   2HD2  ASN  45          2HD2      ASN  45   9.996  -0.173   6.843
  341    H    CYS  46           H        CYS  46   7.919  -5.214   3.206
  342    HA   CYS  46           HA       CYS  46   5.814  -4.507   1.406
  343   1HB   CYS  46          1HB       CYS  46   7.313  -6.482   1.256
  344   2HB   CYS  46          2HB       CYS  46   6.534  -7.168   2.680
  345    HA   PRO  47           HA       PRO  47   2.353  -4.259   4.123
  346   1HB   PRO  47          1HB       PRO  47   0.390  -4.829   2.276
  347   2HB   PRO  47          2HB       PRO  47   1.231  -3.280   2.373
  348   1HG   PRO  47          1HG       PRO  47   1.788  -5.628   0.599
  349   2HG   PRO  47          2HG       PRO  47   1.648  -3.918   0.162
  350   1HD   PRO  47          1HD       PRO  47   4.032  -5.086   0.489
  351   2HD   PRO  47          2HD       PRO  47   3.762  -3.418   1.022
  352    H    GLU  48           H        GLU  48   3.476  -7.087   2.639
  353    HA   GLU  48           HA       GLU  48   1.674  -8.735   4.357
  354   1HB   GLU  48          1HB       GLU  48   0.896  -9.845   2.545
  355   2HB   GLU  48          2HB       GLU  48   1.582  -8.535   1.594
  356   1HG   GLU  48          1HG       GLU  48   3.512  -9.775   1.048
  357   2HG   GLU  48          2HG       GLU  48   3.261 -10.923   2.365
  358    H    CYS  49           H        CYS  49   4.662  -9.121   2.343
  359    HA   CYS  49           HA       CYS  49   5.729 -10.879   4.501
  360   1HB   CYS  49          1HB       CYS  49   6.986 -11.908   2.816
  361   2HB   CYS  49          2HB       CYS  49   5.538 -11.426   1.945
  362    H    GLY  50           H        GLY  50   5.654  -8.095   5.004
  363   1HA   GLY  50          1HA       GLY  50   7.284  -6.163   4.821
  364   2HA   GLY  50          2HA       GLY  50   7.425  -6.998   6.363
  365    H    THR  51           H        THR  51   8.765  -6.969   3.068
  366    HA   THR  51           HA       THR  51  11.302  -8.121   4.158
  367    HB   THR  51           HB       THR  51   9.664  -8.812   2.036
  368    HG1  THR  51           1HG      THR  51  11.537 -10.058   1.404
  369   1HG2  THR  51          1HG2      THR  51  12.008  -7.229   0.949
  370   2HG2  THR  51          2HG2      THR  51  10.296  -6.917   0.671
  371   3HG2  THR  51          3HG2      THR  51  11.049  -8.361  -0.003
  372    HA   PRO  52           HA       PRO  52  13.544  -4.438   3.328
  373   1HB   PRO  52          1HB       PRO  52  15.570  -5.126   1.605
  374   2HB   PRO  52          2HB       PRO  52  15.557  -5.567   3.325
  375   1HG   PRO  52          1HG       PRO  52  14.806  -7.189   0.929
  376   2HG   PRO  52          2HG       PRO  52  15.728  -7.665   2.366
  377   1HD   PRO  52          1HD       PRO  52  13.108  -8.280   2.011
  378   2HD   PRO  52          2HD       PRO  52  13.818  -8.007   3.617
  379    H    LEU  53           H        LEU  53  11.712  -3.480   2.163
  380    HA   LEU  53           HA       LEU  53  11.668  -3.625  -0.781
  381   1HB   LEU  53          1HB       LEU  53   9.956  -2.866   1.447
  382   2HB   LEU  53          2HB       LEU  53   9.922  -1.641   0.181
  383    HG   LEU  53           HG       LEU  53   9.114  -3.156  -1.431
  384   1HD1  LEU  53          1HD1      LEU  53   9.016  -5.707  -0.331
  385   2HD1  LEU  53          2HD1      LEU  53  10.586  -5.098   0.191
  386   3HD1  LEU  53          3HD1      LEU  53  10.187  -5.148  -1.525
  387   1HD2  LEU  53          1HD2      LEU  53   7.074  -3.415  -0.509
  388   2HD2  LEU  53          2HD2      LEU  53   7.787  -2.915   1.025
  389   3HD2  LEU  53          3HD2      LEU  53   7.674  -4.628   0.622
  390    H    ARG  54           H        ARG  54  14.046  -2.416   0.567
  391    HA   ARG  54           HA       ARG  54  15.442  -0.536   0.269
  392   1HB   ARG  54          1HB       ARG  54  13.376  -0.080  -1.908
  393   2HB   ARG  54          2HB       ARG  54  14.923   0.756  -1.805
  394   1HG   ARG  54          1HG       ARG  54  15.062  -2.199  -1.636
  395   2HG   ARG  54          2HG       ARG  54  14.549  -1.554  -3.196
  396   1HD   ARG  54          1HD       ARG  54  16.695  -0.986  -3.666
  397   2HD   ARG  54          2HD       ARG  54  16.762   0.014  -2.200
  398    HE   ARG  54           HE       ARG  54  17.843  -2.663  -2.471
  399   1HH1  ARG  54          1HH2      ARG  54  17.787  -0.111  -0.414
  400   2HH1  ARG  54          2HH2      ARG  54  17.690  -1.023   1.056
  401   1HH2  ARG  54          1HH1      ARG  54  17.033  -4.031  -0.539
  402   2HH2  ARG  54          2HH1      ARG  54  17.263  -3.240   0.985
  403    H    LYS  55           H        LYS  55  12.364   0.981  -0.687
  404    HA   LYS  55           HA       LYS  55  11.964   2.296   1.877
  405   1HB   LYS  55          1HB       LYS  55  12.761   4.471   1.280
  406   2HB   LYS  55          2HB       LYS  55  14.037   3.349   0.811
  407   1HG   LYS  55          1HG       LYS  55  11.903   4.238  -1.136
  408   2HG   LYS  55          2HG       LYS  55  13.392   5.149  -0.906
  409   1HD   LYS  55          1HD       LYS  55  14.679   3.056  -1.411
  410   2HD   LYS  55          2HD       LYS  55  13.154   2.257  -1.787
  411   1HE   LYS  55          1HE       LYS  55  12.872   3.438  -3.759
  412   2HE   LYS  55          2HE       LYS  55  13.724   4.868  -3.140
  413   1HZ   LYS  55          1HZ       LYS  55  15.784   3.826  -3.400
  414   2HZ   LYS  55          2HZ       LYS  55  14.947   3.368  -4.805
  415   3HZ   LYS  55          3HZ       LYS  55  15.107   2.275  -3.514
  416    H    SER  56           H        SER  56  11.297   2.175  -1.604
  417    HA   SER  56           HA       SER  56   8.431   2.352  -1.153
  418   1HB   SER  56          1HB       SER  56   8.250   4.548  -2.417
  419   2HB   SER  56          2HB       SER  56   8.933   4.671  -0.798
  420    HG   SER  56           HG       SER  56  10.112   5.108  -3.233
  421    H    ASN  57           H        ASN  57   9.475   0.338  -2.493
  422    HA   ASN  57           HA       ASN  57   9.560   1.036  -5.401
  423   1HB   ASN  57          1HB       ASN  57  10.522  -1.307  -5.521
  424   2HB   ASN  57          2HB       ASN  57  11.468  -0.185  -4.541
  425   1HD2  ASN  57          1HD2      ASN  57  10.497  -3.295  -4.486
  426   2HD2  ASN  57          2HD2      ASN  57  10.280  -3.526  -2.820
  427    H    PHE  58           H        PHE  58   7.096   1.283  -5.207
  428    HA   PHE  58           HA       PHE  58   5.799  -1.403  -5.479
  429   1HB   PHE  58          1HB       PHE  58   4.588   1.125  -4.285
  430   2HB   PHE  58          2HB       PHE  58   3.875  -0.481  -4.292
  431    HD1  PHE  58           1HD      PHE  58   7.096   1.165  -3.202
  432    HD2  PHE  58           2HD      PHE  58   4.081  -1.799  -2.430
  433    HE1  PHE  58           1HE      PHE  58   8.238   0.542  -1.090
  434    HE2  PHE  58           2HE      PHE  58   5.221  -2.408  -0.317
  435    HZ   PHE  58           HZ       PHE  58   7.300  -1.237   0.352
  436    H    ARG  59           H        ARG  59   5.152  -1.619  -7.560
  437    HA   ARG  59           HA       ARG  59   4.710   0.787  -9.230
  438   1HB   ARG  59          1HB       ARG  59   4.276  -1.261 -10.926
  439   2HB   ARG  59          2HB       ARG  59   5.895  -0.713 -10.511
  440   1HG   ARG  59          1HG       ARG  59   6.131  -2.468  -8.850
  441   2HG   ARG  59          2HG       ARG  59   4.447  -2.952  -9.067
  442   1HD   ARG  59          1HD       ARG  59   5.541  -4.502 -10.449
  443   2HD   ARG  59          2HD       ARG  59   5.219  -3.202 -11.615
  444    HE   ARG  59           HE       ARG  59   7.835  -3.949 -10.568
  445   1HH1  ARG  59          1HH1      ARG  59   7.418  -2.757 -13.269
  446   2HH1  ARG  59          2HH1      ARG  59   8.052  -1.158 -13.071
  447   1HH2  ARG  59          1HH2      ARG  59   7.995  -1.275  -9.606
  448   2HH2  ARG  59          2HH2      ARG  59   8.380  -0.318 -10.998
  449    H    VAL  60           H        VAL  60   2.738   1.671  -9.043
  450    HA   VAL  60           HA       VAL  60   0.356   0.080  -8.386
  451    HB   VAL  60           HB       VAL  60   0.948   2.275  -7.395
  452   1HG1  VAL  60          1HG1      VAL  60   1.646   2.966  -9.945
  453   2HG1  VAL  60          2HG1      VAL  60   1.351   4.130  -8.653
  454   3HG1  VAL  60          3HG1      VAL  60   0.070   3.747  -9.803
  455   1HG2  VAL  60          1HG2      VAL  60  -1.558   1.408  -8.359
  456   2HG2  VAL  60          2HG2      VAL  60  -1.469   3.124  -8.759
  457   3HG2  VAL  60          3HG2      VAL  60  -1.270   2.597  -7.088
  458    H    GLN  61           H        GLN  61  -1.385  -0.272  -9.730
  459    HA   GLN  61           HA       GLN  61  -1.885   0.997 -12.243
  460   1HB   GLN  61          1HB       GLN  61  -1.141  -1.027 -13.641
  461   2HB   GLN  61          2HB       GLN  61   0.153  -0.018 -12.993
  462   1HG   GLN  61          1HG       GLN  61   0.403  -1.581 -11.091
  463   2HG   GLN  61          2HG       GLN  61  -0.880  -2.591 -11.756
  464   1HE2  GLN  61          1HE2      GLN  61   0.089  -4.397 -12.699
  465   2HE2  GLN  61          2HE2      GLN  61   1.477  -4.360 -13.675
  466    H    LEU  62           H        LEU  62  -3.586  -0.299 -13.496
  467    HA   LEU  62           HA       LEU  62  -4.897  -2.466 -11.953
  468   1HB   LEU  62          1HB       LEU  62  -5.550   0.231 -11.604
  469   2HB   LEU  62          2HB       LEU  62  -6.796  -0.377 -12.695
  470    HG   LEU  62           HG       LEU  62  -7.323  -2.185 -11.138
  471   1HD1  LEU  62          1HD1      LEU  62  -6.181  -2.030  -8.824
  472   2HD1  LEU  62          2HD1      LEU  62  -4.950  -1.070  -9.641
  473   3HD1  LEU  62          3HD1      LEU  62  -5.244  -2.735 -10.140
  474   1HD2  LEU  62          1HD2      LEU  62  -8.658  -0.381 -10.556
  475   2HD2  LEU  62          2HD2      LEU  62  -7.279   0.650 -10.172
  476   3HD2  LEU  62          3HD2      LEU  62  -7.782  -0.607  -9.042
  477    H    PHE  63           H        PHE  63  -3.696  -2.714 -14.456
  478    HA   PHE  63           HA       PHE  63  -6.073  -3.209 -16.185
  479   1HB   PHE  63          1HB       PHE  63  -5.220  -1.015 -16.817
  480   2HB   PHE  63          2HB       PHE  63  -3.576  -1.646 -16.917
  481    HD1  PHE  63           1HD      PHE  63  -6.965  -1.814 -18.435
  482    HD2  PHE  63           2HD      PHE  63  -2.812  -2.829 -18.852
  483    HE1  PHE  63           1HE      PHE  63  -7.361  -2.467 -20.795
  484    HE2  PHE  63           2HE      PHE  63  -3.207  -3.482 -21.211
  485    HZ   PHE  63           HZ       PHE  63  -5.482  -3.301 -22.183
  486    H    GLU  64           H        GLU  64  -5.463  -5.457 -15.448
  487    HA   GLU  64           HA       GLU  64  -2.914  -6.540 -16.479
  488   1HB   GLU  64          1HB       GLU  64  -4.685  -7.069 -14.375
  489   2HB   GLU  64          2HB       GLU  64  -4.893  -8.433 -15.474
  490   1HG   GLU  64          1HG       GLU  64  -2.504  -8.881 -15.447
  491   2HG   GLU  64          2HG       GLU  64  -2.204  -7.425 -14.498
  492    H    ASP  65           H        ASP  65  -3.978  -5.761 -18.737
  493    HA   ASP  65           HA       ASP  65  -4.797  -8.228 -20.100
  494   1HB   ASP  65          1HB       ASP  65  -6.840  -7.101 -18.968
  495   2HB   ASP  65          2HB       ASP  65  -6.668  -5.860 -20.209
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -12.147  -6.789  -7.649
    2   2H    MET   1          2HT       MET   1 -11.300  -7.854  -6.632
    3   3H    MET   1          3HT       MET   1 -10.896  -7.745  -8.278
    4    HA   MET   1           HA       MET   1  -9.235  -6.459  -7.363
    5   1HB   MET   1          1HB       MET   1 -11.537  -5.212  -8.572
    6   2HB   MET   1          2HB       MET   1 -10.788  -4.082  -7.442
    7   1HG   MET   1          1HG       MET   1  -9.842  -3.991  -9.785
    8   2HG   MET   1          2HG       MET   1  -8.643  -4.317  -8.534
    9   1HE   MET   1          1HE       MET   1  -8.053  -4.827 -11.509
   10   2HE   MET   1          2HE       MET   1  -7.266  -6.402 -11.450
   11   3HE   MET   1          3HE       MET   1  -6.934  -5.212 -10.193
   12    H    ASP   2           H        ASP   2 -12.169  -4.984  -5.922
   13    HA   ASP   2           HA       ASP   2 -10.903  -3.966  -3.596
   14   1HB   ASP   2          1HB       ASP   2 -13.747  -4.986  -3.854
   15   2HB   ASP   2          2HB       ASP   2 -13.171  -3.679  -2.818
   16    H    ASP   3           H        ASP   3 -12.497  -5.071  -1.484
   17    HA   ASP   3           HA       ASP   3 -12.344  -6.772   0.146
   18   1HB   ASP   3          1HB       ASP   3 -12.373  -8.256  -2.492
   19   2HB   ASP   3          2HB       ASP   3 -12.489  -9.082  -0.937
   20    H    GLN   4           H        GLN   4 -10.463  -8.597  -2.214
   21    HA   GLN   4           HA       GLN   4  -8.302  -9.030  -0.326
   22   1HB   GLN   4          1HB       GLN   4  -9.300 -10.433  -2.327
   23   2HB   GLN   4          2HB       GLN   4  -8.123  -9.532  -3.282
   24   1HG   GLN   4          1HG       GLN   4  -7.189 -11.681  -2.459
   25   2HG   GLN   4          2HG       GLN   4  -6.316 -10.296  -1.801
   26   1HE2  GLN   4          1HE2      GLN   4  -5.692 -11.733   0.052
   27   2HE2  GLN   4          2HE2      GLN   4  -6.810 -12.029   1.294
   28    H    GLY   5           H        GLY   5  -8.944  -6.579  -2.691
   29   1HA   GLY   5          1HA       GLY   5  -6.285  -5.887  -3.449
   30   2HA   GLY   5          2HA       GLY   5  -7.648  -4.769  -3.438
   31    H    CYS   6           H        CYS   6  -7.117  -3.015  -2.247
   32    HA   CYS   6           HA       CYS   6  -5.118  -2.413  -0.565
   33   1HB   CYS   6          1HB       CYS   6  -6.763  -0.775  -0.998
   34   2HB   CYS   6          2HB       CYS   6  -8.066  -1.790  -0.433
   35    HA   PRO   7           HA       PRO   7  -5.835  -5.561   2.644
   36   1HB   PRO   7          1HB       PRO   7  -3.188  -5.908   3.231
   37   2HB   PRO   7          2HB       PRO   7  -4.002  -6.755   1.902
   38   1HG   PRO   7          1HG       PRO   7  -2.172  -4.417   1.841
   39   2HG   PRO   7          2HG       PRO   7  -2.369  -5.729   0.671
   40   1HD   PRO   7          1HD       PRO   7  -3.412  -3.164   0.423
   41   2HD   PRO   7          2HD       PRO   7  -3.963  -4.590  -0.477
   42    H    ARG   8           H        ARG   8  -3.332  -2.989   2.822
   43    HA   ARG   8           HA       ARG   8  -3.273  -2.717   5.645
   44   1HB   ARG   8          1HB       ARG   8  -1.870  -1.738   3.577
   45   2HB   ARG   8          2HB       ARG   8  -2.842  -0.307   3.927
   46   1HG   ARG   8          1HG       ARG   8  -1.468   0.160   5.642
   47   2HG   ARG   8          2HG       ARG   8  -1.972  -1.339   6.424
   48   1HD   ARG   8          1HD       ARG   8  -0.122  -2.530   5.608
   49   2HD   ARG   8          2HD       ARG   8   0.115  -1.417   4.247
   50    HE   ARG   8           HE       ARG   8   1.533  -0.236   5.728
   51   1HH1  ARG   8          1HH2      ARG   8  -0.688   1.036   7.176
   52   2HH1  ARG   8          2HH2      ARG   8  -0.445   0.512   8.809
   53   1HH2  ARG   8          1HH1      ARG   8   1.678  -2.087   7.942
   54   2HH2  ARG   8          2HH1      ARG   8   0.895  -1.255   9.244
   55    H    CYS   9           H        CYS   9  -5.120  -0.597   3.336
   56    HA   CYS   9           HA       CYS   9  -6.755   0.199   5.723
   57   1HB   CYS   9          1HB       CYS   9  -7.302   1.987   3.624
   58   2HB   CYS   9          2HB       CYS   9  -6.321   2.297   5.044
   59    H    LYS  10           H        LYS  10  -7.264  -2.197   4.009
   60    HA   LYS  10           HA       LYS  10  -8.968  -2.733   2.211
   61   1HB   LYS  10          1HB       LYS  10 -10.479  -3.916   3.688
   62   2HB   LYS  10          2HB       LYS  10  -8.865  -3.942   4.401
   63   1HG   LYS  10          1HG       LYS  10  -9.550  -2.753   6.198
   64   2HG   LYS  10          2HG       LYS  10 -10.390  -1.576   5.191
   65   1HD   LYS  10          1HD       LYS  10 -11.994  -2.750   6.632
   66   2HD   LYS  10          2HD       LYS  10 -12.277  -3.176   4.944
   67   1HE   LYS  10          1HE       LYS  10 -10.509  -5.122   5.599
   68   2HE   LYS  10          2HE       LYS  10 -11.273  -4.865   7.181
   69   1HZ   LYS  10          1HZ       LYS  10 -12.780  -6.273   6.196
   70   2HZ   LYS  10          2HZ       LYS  10 -12.473  -5.699   4.625
   71   3HZ   LYS  10          3HZ       LYS  10 -13.417  -4.782   5.700
   72    H    THR  11           H        THR  11  -9.363  -0.287   1.457
   73    HA   THR  11           HA       THR  11 -12.250   0.173   1.782
   74    HB   THR  11           HB       THR  11 -10.729   1.199   3.716
   75    HG1  THR  11           1HG      THR  11 -12.909   1.508   3.648
   76   1HG2  THR  11          1HG2      THR  11 -10.234   3.604   3.193
   77   2HG2  THR  11          2HG2      THR  11 -10.575   3.263   1.494
   78   3HG2  THR  11          3HG2      THR  11  -9.219   2.470   2.302
   79    H    THR  12           H        THR  12  -9.211   1.677   0.632
   80    HA   THR  12           HA       THR  12 -10.077   3.503  -1.211
   81    HB   THR  12           HB       THR  12  -8.004   2.808  -2.491
   82    HG1  THR  12           1HG      THR  12  -8.522   0.517  -1.348
   83   1HG2  THR  12          1HG2      THR  12  -6.625   3.648  -0.807
   84   2HG2  THR  12          2HG2      THR  12  -7.506   2.800   0.465
   85   3HG2  THR  12          3HG2      THR  12  -8.224   4.212  -0.314
   86    H    LYS  13           H        LYS  13  -8.843   0.933  -3.141
   87    HA   LYS  13           HA       LYS  13 -10.606   1.075  -5.209
   88   1HB   LYS  13          1HB       LYS  13  -9.614  -0.900  -5.884
   89   2HB   LYS  13          2HB       LYS  13  -8.542  -0.432  -4.590
   90   1HG   LYS  13          1HG       LYS  13 -10.917  -2.171  -4.022
   91   2HG   LYS  13          2HG       LYS  13  -9.391  -2.854  -4.583
   92   1HD   LYS  13          1HD       LYS  13  -8.235  -1.627  -2.742
   93   2HD   LYS  13          2HD       LYS  13  -9.820  -1.122  -2.128
   94   1HE   LYS  13          1HE       LYS  13  -9.333  -4.058  -2.625
   95   2HE   LYS  13          2HE       LYS  13  -8.700  -3.317  -1.147
   96   1HZ   LYS  13          1HZ       LYS  13 -10.854  -2.454  -0.646
   97   2HZ   LYS  13          2HZ       LYS  13 -10.998  -4.124  -0.909
   98   3HZ   LYS  13          3HZ       LYS  13 -11.489  -3.027  -2.110
   99    H    TYR  14           H        TYR  14 -11.446  -0.318  -2.090
  100    HA   TYR  14           HA       TYR  14 -13.879  -1.584  -3.079
  101   1HB   TYR  14          1HB       TYR  14 -12.638  -2.145  -0.946
  102   2HB   TYR  14          2HB       TYR  14 -13.180  -0.621  -0.269
  103    HD1  TYR  14           1HD      TYR  14 -15.768  -1.474  -2.374
  104    HD2  TYR  14           2HD      TYR  14 -13.967  -2.795   1.296
  105    HE1  TYR  14           1HE      TYR  14 -17.899  -2.558  -1.719
  106    HE2  TYR  14           2HE      TYR  14 -16.099  -3.879   1.950
  107    HH   TYR  14           HH       TYR  14 -18.462  -3.731   1.457
  108    H    ARG  15           H        ARG  15 -13.068   1.431  -1.413
  109    HA   ARG  15           HA       ARG  15 -15.719   2.632  -1.986
  110   1HB   ARG  15          1HB       ARG  15 -13.320   3.122  -0.296
  111   2HB   ARG  15          2HB       ARG  15 -14.201   4.554  -0.812
  112   1HG   ARG  15          1HG       ARG  15 -15.715   4.135   0.810
  113   2HG   ARG  15          2HG       ARG  15 -16.136   2.632  -0.016
  114   1HD   ARG  15          1HD       ARG  15 -13.782   2.896   1.871
  115   2HD   ARG  15          2HD       ARG  15 -15.375   2.303   2.375
  116    HE   ARG  15           HE       ARG  15 -13.662   0.989   0.268
  117   1HH1  ARG  15          1HH2      ARG  15 -16.519   0.273   0.047
  118   2HH1  ARG  15          2HH2      ARG  15 -16.663  -1.100   1.094
  119   1HH2  ARG  15          1HH1      ARG  15 -13.698  -0.461   2.774
  120   2HH2  ARG  15          2HH1      ARG  15 -15.064  -1.515   2.637
  121    H    ASN  16           H        ASN  16 -12.374   3.781  -2.269
  122    HA   ASN  16           HA       ASN  16 -12.815   5.715  -4.313
  123   1HB   ASN  16          1HB       ASN  16 -10.493   4.191  -3.150
  124   2HB   ASN  16          2HB       ASN  16 -10.229   5.245  -4.540
  125   1HD2  ASN  16          1HD2      ASN  16  -8.874   6.170  -2.477
  126   2HD2  ASN  16          2HD2      ASN  16  -9.662   7.434  -1.661
  127    HA   PRO  17           HA       PRO  17 -13.001   2.690  -7.632
  128   1HB   PRO  17          1HB       PRO  17 -13.993   4.427  -9.511
  129   2HB   PRO  17          2HB       PRO  17 -15.016   3.649  -8.286
  130   1HG   PRO  17          1HG       PRO  17 -13.988   6.425  -8.434
  131   2HG   PRO  17          2HG       PRO  17 -15.486   5.811  -7.723
  132   1HD   PRO  17          1HD       PRO  17 -13.160   6.530  -6.335
  133   2HD   PRO  17          2HD       PRO  17 -14.521   5.594  -5.684
  134    H    SER  18           H        SER  18 -12.097   6.079  -8.465
  135    HA   SER  18           HA       SER  18 -10.111   5.318 -10.422
  136   1HB   SER  18          1HB       SER  18  -9.666   7.657 -10.462
  137   2HB   SER  18          2HB       SER  18 -11.362   7.562  -9.995
  138    HG   SER  18           HG       SER  18 -10.899   8.140  -8.004
  139    H    LEU  19           H        LEU  19  -9.177   3.594  -8.956
  140    HA   LEU  19           HA       LEU  19  -6.819   4.631  -7.502
  141   1HB   LEU  19          1HB       LEU  19  -7.618   4.074  -5.394
  142   2HB   LEU  19          2HB       LEU  19  -9.141   4.407  -6.179
  143    HG   LEU  19           HG       LEU  19  -9.427   2.359  -5.009
  144   1HD1  LEU  19          1HD1      LEU  19  -9.234   0.696  -7.198
  145   2HD1  LEU  19          2HD1      LEU  19  -9.299   2.278  -7.942
  146   3HD1  LEU  19          3HD1      LEU  19 -10.588   1.771  -6.880
  147   1HD2  LEU  19          1HD2      LEU  19  -7.738   0.448  -6.026
  148   2HD2  LEU  19          2HD2      LEU  19  -7.573   1.234  -4.457
  149   3HD2  LEU  19          3HD2      LEU  19  -6.698   1.836  -5.838
  150    H    LYS  20           H        LYS  20  -5.299   2.823  -6.903
  151    HA   LYS  20           HA       LYS  20  -5.950   0.166  -8.004
  152   1HB   LYS  20          1HB       LYS  20  -3.771   0.346  -9.411
  153   2HB   LYS  20          2HB       LYS  20  -5.184   1.221 -10.005
  154   1HG   LYS  20          1HG       LYS  20  -3.583   2.775  -8.099
  155   2HG   LYS  20          2HG       LYS  20  -2.689   2.331  -9.553
  156   1HD   LYS  20          1HD       LYS  20  -5.459   3.549  -9.637
  157   2HD   LYS  20          2HD       LYS  20  -3.989   4.522  -9.684
  158   1HE   LYS  20          1HE       LYS  20  -3.257   3.363 -11.724
  159   2HE   LYS  20          2HE       LYS  20  -4.680   2.303 -11.651
  160   1HZ   LYS  20          1HZ       LYS  20  -4.535   5.210 -12.161
  161   2HZ   LYS  20          2HZ       LYS  20  -5.944   4.541 -11.490
  162   3HZ   LYS  20          3HZ       LYS  20  -5.397   4.023 -13.012
  163    H    LEU  21           H        LEU  21  -4.009  -1.335  -7.681
  164    HA   LEU  21           HA       LEU  21  -2.636  -0.634  -5.109
  165   1HB   LEU  21          1HB       LEU  21  -3.897  -3.125  -6.243
  166   2HB   LEU  21          2HB       LEU  21  -2.688  -3.247  -4.966
  167    HG   LEU  21           HG       LEU  21  -4.036  -1.885  -3.482
  168   1HD1  LEU  21          1HD1      LEU  21  -5.607  -1.393  -5.994
  169   2HD1  LEU  21          2HD1      LEU  21  -5.089  -0.242  -4.763
  170   3HD1  LEU  21          3HD1      LEU  21  -6.437  -1.330  -4.441
  171   1HD2  LEU  21          1HD2      LEU  21  -6.331  -3.314  -3.916
  172   2HD2  LEU  21          2HD2      LEU  21  -4.909  -3.947  -3.087
  173   3HD2  LEU  21          3HD2      LEU  21  -5.149  -4.277  -4.802
  174    H    MET  22           H        MET  22  -0.392  -1.014  -5.001
  175    HA   MET  22           HA       MET  22   0.875  -1.764  -7.590
  176   1HB   MET  22          1HB       MET  22   2.670  -0.944  -5.507
  177   2HB   MET  22          2HB       MET  22   2.383  -0.165  -7.040
  178   1HG   MET  22          1HG       MET  22   0.240   0.786  -5.932
  179   2HG   MET  22          2HG       MET  22   1.010   0.338  -4.412
  180   1HE   MET  22          1HE       MET  22   1.155   4.227  -5.133
  181   2HE   MET  22          2HE       MET  22  -0.010   2.908  -5.058
  182   3HE   MET  22          3HE       MET  22   0.573   3.470  -6.622
  183    H    VAL  23           H        VAL  23   2.814  -3.117  -7.457
  184    HA   VAL  23           HA       VAL  23   2.701  -5.091  -5.209
  185    HB   VAL  23           HB       VAL  23   2.387  -5.318  -8.084
  186   1HG1  VAL  23          1HG1      VAL  23   4.877  -5.826  -7.907
  187   2HG1  VAL  23          2HG1      VAL  23   3.896  -7.131  -8.572
  188   3HG1  VAL  23          3HG1      VAL  23   4.443  -7.205  -6.898
  189   1HG2  VAL  23          1HG2      VAL  23   1.696  -7.633  -7.412
  190   2HG2  VAL  23          2HG2      VAL  23   0.898  -6.359  -6.489
  191   3HG2  VAL  23          3HG2      VAL  23   2.230  -7.263  -5.773
  192    H    ASN  24           H        ASN  24   5.006  -6.297  -5.199
  193    HA   ASN  24           HA       ASN  24   7.126  -4.316  -5.901
  194   1HB   ASN  24          1HB       ASN  24   7.933  -5.212  -3.436
  195   2HB   ASN  24          2HB       ASN  24   7.082  -3.697  -3.726
  196   1HD2  ASN  24          1HD2      ASN  24   5.725  -3.602  -1.895
  197   2HD2  ASN  24          2HD2      ASN  24   4.587  -4.794  -1.492
  198    H    VAL  25           H        VAL  25   9.337  -5.270  -5.404
  199    HA   VAL  25           HA       VAL  25  10.014  -7.400  -6.995
  200    HB   VAL  25           HB       VAL  25  11.664  -5.986  -6.021
  201   1HG1  VAL  25          1HG1      VAL  25  11.632  -6.818  -3.262
  202   2HG1  VAL  25          2HG1      VAL  25  10.038  -6.216  -3.711
  203   3HG1  VAL  25          3HG1      VAL  25  11.459  -5.194  -3.926
  204   1HG2  VAL  25          1HG2      VAL  25  12.061  -8.535  -4.467
  205   2HG2  VAL  25          2HG2      VAL  25  13.274  -7.526  -5.258
  206   3HG2  VAL  25          3HG2      VAL  25  12.178  -8.512  -6.227
  207    H    CYS  26           H        CYS  26   8.820  -7.614  -3.642
  208    HA   CYS  26           HA       CYS  26   9.312 -10.468  -3.403
  209   1HB   CYS  26          1HB       CYS  26   8.168 -10.203  -1.310
  210   2HB   CYS  26          2HB       CYS  26   9.062  -8.707  -1.568
  211    H    GLY  27           H        GLY  27   6.527  -8.462  -4.336
  212   1HA   GLY  27          1HA       GLY  27   4.901  -9.236  -5.958
  213   2HA   GLY  27          2HA       GLY  27   5.292 -10.896  -5.511
  214    H    HIS  28           H        HIS  28   3.568  -7.982  -4.467
  215    HA   HIS  28           HA       HIS  28   1.613  -9.698  -3.093
  216   1HB   HIS  28          1HB       HIS  28   3.610  -7.947  -1.717
  217   2HB   HIS  28          2HB       HIS  28   1.991  -8.063  -1.020
  218    HD2  HIS  28           2HD      HIS  28   1.582 -11.297  -1.921
  219    HE1  HIS  28           1HE      HIS  28   4.834 -11.966   0.672
  220    HE2  HIS  28           2HE      HIS  28   2.905 -13.063  -0.542
  221    H    THR  29           H        THR  29   1.433  -6.531  -1.832
  222    HA   THR  29           HA       THR  29   0.281  -5.182  -4.116
  223    HB   THR  29           HB       THR  29  -1.361  -7.040  -2.463
  224    HG1  THR  29           1HG      THR  29  -1.298  -7.728  -4.454
  225   1HG2  THR  29          1HG2      THR  29  -3.427  -5.697  -3.212
  226   2HG2  THR  29          2HG2      THR  29  -2.322  -4.343  -3.440
  227   3HG2  THR  29          3HG2      THR  29  -2.522  -5.056  -1.840
  228    H    LEU  30           H        LEU  30  -0.500  -3.095  -3.605
  229    HA   LEU  30           HA       LEU  30  -0.854  -2.243  -0.803
  230   1HB   LEU  30          1HB       LEU  30   1.679  -2.329  -1.670
  231   2HB   LEU  30          2HB       LEU  30   1.251  -0.758  -2.322
  232    HG   LEU  30           HG       LEU  30   0.513  -0.063  -0.058
  233   1HD1  LEU  30          1HD1      LEU  30   1.891  -2.354   1.183
  234   2HD1  LEU  30          2HD1      LEU  30   0.300  -2.693   0.511
  235   3HD1  LEU  30          3HD1      LEU  30   0.493  -1.459   1.756
  236   1HD2  LEU  30          1HD2      LEU  30   2.647   0.401   0.746
  237   2HD2  LEU  30          2HD2      LEU  30   2.989   0.019  -0.940
  238   3HD2  LEU  30          3HD2      LEU  30   3.254  -1.190   0.312
  239    H    CYS  31           H        CYS  31  -2.900  -1.399  -1.400
  240    HA   CYS  31           HA       CYS  31  -3.552  -0.012  -3.760
  241   1HB   CYS  31          1HB       CYS  31  -5.547   0.262  -2.723
  242   2HB   CYS  31          2HB       CYS  31  -4.868  -0.808  -1.535
  243    H    GLU  32           H        GLU  32  -4.453   2.385  -3.346
  244    HA   GLU  32           HA       GLU  32  -2.129   4.100  -3.395
  245   1HB   GLU  32          1HB       GLU  32  -4.150   5.861  -2.874
  246   2HB   GLU  32          2HB       GLU  32  -3.838   5.200  -4.470
  247   1HG   GLU  32          1HG       GLU  32  -5.681   3.758  -2.624
  248   2HG   GLU  32          2HG       GLU  32  -6.248   5.117  -3.601
  249    H    SER  33           H        SER  33  -4.789   3.843  -1.083
  250    HA   SER  33           HA       SER  33  -3.628   5.324   1.039
  251   1HB   SER  33          1HB       SER  33  -5.729   3.105   0.918
  252   2HB   SER  33          2HB       SER  33  -5.450   4.163   2.316
  253    HG   SER  33           HG       SER  33  -5.697   5.934   0.691
  254    H    CYS  34           H        CYS  34  -2.760   2.154  -0.123
  255    HA   CYS  34           HA       CYS  34  -1.810   1.268   2.543
  256   1HB   CYS  34          1HB       CYS  34  -1.851   0.090  -0.251
  257   2HB   CYS  34          2HB       CYS  34  -0.880  -0.615   1.018
  258    H    VAL  35           H        VAL  35  -0.453   1.987  -0.684
  259    HA   VAL  35           HA       VAL  35   2.280   1.914  -0.108
  260    HB   VAL  35           HB       VAL  35   0.472   2.986  -2.102
  261   1HG1  VAL  35          1HG1      VAL  35   2.726   4.760  -1.228
  262   2HG1  VAL  35          2HG1      VAL  35   1.144   5.198  -1.869
  263   3HG1  VAL  35          3HG1      VAL  35   2.398   4.599  -2.951
  264   1HG2  VAL  35          1HG2      VAL  35   1.766   1.441  -3.103
  265   2HG2  VAL  35          2HG2      VAL  35   3.017   1.585  -1.871
  266   3HG2  VAL  35          3HG2      VAL  35   2.987   2.707  -3.225
  267    H    ASP  36           H        ASP  36   0.432   4.991  -0.160
  268    HA   ASP  36           HA       ASP  36   2.213   6.680   1.089
  269   1HB   ASP  36          1HB       ASP  36  -0.014   7.572   2.231
  270   2HB   ASP  36          2HB       ASP  36   0.180   7.650   0.483
  271    H    LEU  37           H        LEU  37  -0.314   5.086   3.090
  272    HA   LEU  37           HA       LEU  37   0.760   5.508   5.611
  273   1HB   LEU  37          1HB       LEU  37  -0.597   3.073   4.418
  274   2HB   LEU  37          2HB       LEU  37  -0.363   3.296   6.152
  275    HG   LEU  37           HG       LEU  37  -1.814   5.256   4.349
  276   1HD1  LEU  37          1HD1      LEU  37  -3.645   3.969   4.573
  277   2HD1  LEU  37          2HD1      LEU  37  -3.485   4.032   6.328
  278   3HD1  LEU  37          3HD1      LEU  37  -2.680   2.757   5.415
  279   1HD2  LEU  37          1HD2      LEU  37  -1.181   6.551   6.154
  280   2HD2  LEU  37          2HD2      LEU  37  -1.058   5.164   7.237
  281   3HD2  LEU  37          3HD2      LEU  37  -2.640   5.831   6.833
  282    H    LEU  38           H        LEU  38   1.583   2.814   3.417
  283    HA   LEU  38           HA       LEU  38   3.395   1.386   4.992
  284   1HB   LEU  38          1HB       LEU  38   2.558   1.466   2.365
  285   2HB   LEU  38          2HB       LEU  38   4.266   1.869   2.220
  286    HG   LEU  38           HG       LEU  38   4.014  -0.544   2.078
  287   1HD1  LEU  38          1HD1      LEU  38   5.923  -0.705   3.260
  288   2HD1  LEU  38          2HD1      LEU  38   5.000  -0.713   4.762
  289   3HD1  LEU  38          3HD1      LEU  38   5.546   0.815   4.070
  290   1HD2  LEU  38          1HD2      LEU  38   3.052  -0.905   4.841
  291   2HD2  LEU  38          2HD2      LEU  38   2.570  -1.742   3.364
  292   3HD2  LEU  38          3HD2      LEU  38   1.863  -0.176   3.762
  293    H    PHE  39           H        PHE  39   4.252   4.114   2.816
  294    HA   PHE  39           HA       PHE  39   6.972   4.224   3.942
  295   1HB   PHE  39          1HB       PHE  39   5.778   6.133   1.939
  296   2HB   PHE  39          2HB       PHE  39   7.435   5.533   2.045
  297    HD1  PHE  39           1HD      PHE  39   4.306   5.128   0.431
  298    HD2  PHE  39           2HD      PHE  39   7.695   2.922   1.842
  299    HE1  PHE  39           1HE      PHE  39   3.675   3.219  -1.006
  300    HE2  PHE  39           2HE      PHE  39   7.065   1.015   0.416
  301    HZ   PHE  39           HZ       PHE  39   5.031   1.154  -1.009
  302    H    VAL  40           H        VAL  40   3.996   6.160   4.232
  303    HA   VAL  40           HA       VAL  40   5.161   8.571   5.173
  304    HB   VAL  40           HB       VAL  40   2.991   8.996   6.155
  305   1HG1  VAL  40          1HG1      VAL  40   2.374   9.181   3.993
  306   2HG1  VAL  40          2HG1      VAL  40   1.647   7.585   4.175
  307   3HG1  VAL  40          3HG1      VAL  40   3.283   7.742   3.533
  308   1HG2  VAL  40          1HG2      VAL  40   2.836   6.854   7.404
  309   2HG2  VAL  40          2HG2      VAL  40   2.506   6.024   5.887
  310   3HG2  VAL  40          3HG2      VAL  40   1.359   7.205   6.507
  311    H    ARG  41           H        ARG  41   5.140   5.450   6.656
  312    HA   ARG  41           HA       ARG  41   5.743   6.625   9.337
  313   1HB   ARG  41          1HB       ARG  41   5.784   3.714   9.162
  314   2HB   ARG  41          2HB       ARG  41   4.767   4.751  10.155
  315   1HG   ARG  41          1HG       ARG  41   3.482   5.176   7.899
  316   2HG   ARG  41          2HG       ARG  41   4.249   3.665   7.410
  317   1HD   ARG  41          1HD       ARG  41   2.528   4.050   9.889
  318   2HD   ARG  41          2HD       ARG  41   2.047   3.192   8.410
  319    HE   ARG  41           HE       ARG  41   3.652   2.071  10.491
  320   1HH1  ARG  41          1HH1      ARG  41   2.391   0.829   7.907
  321   2HH1  ARG  41          2HH1      ARG  41   3.806   0.112   7.211
  322   1HH2  ARG  41          1HH2      ARG  41   6.013   1.852   9.240
  323   2HH2  ARG  41          2HH2      ARG  41   5.856   0.691   7.966
  324    H    GLY  42           H        GLY  42   7.218   4.860   6.666
  325   1HA   GLY  42          1HA       GLY  42   9.867   5.543   7.444
  326   2HA   GLY  42          2HA       GLY  42   9.537   3.915   8.029
  327    H    ALA  43           H        ALA  43   7.756   3.312   5.681
  328    HA   ALA  43           HA       ALA  43   8.010   2.446   3.481
  329   1HB   ALA  43          1HB       ALA  43  10.380   4.322   3.321
  330   2HB   ALA  43          2HB       ALA  43   8.720   4.912   3.255
  331   3HB   ALA  43          3HB       ALA  43   9.314   3.809   2.014
  332    H    GLY  44           H        GLY  44   8.988   0.568   2.821
  333   1HA   GLY  44          1HA       GLY  44  11.089  -0.668   2.352
  334   2HA   GLY  44          2HA       GLY  44  11.739   0.002   3.848
  335    H    ASN  45           H        ASN  45   8.454  -1.242   3.506
  336    HA   ASN  45           HA       ASN  45   9.154  -3.800   4.808
  337   1HB   ASN  45          1HB       ASN  45   7.447  -1.674   6.145
  338   2HB   ASN  45          2HB       ASN  45   7.796  -3.277   6.797
  339   1HD2  ASN  45          1HD2      ASN  45   9.875  -3.620   7.766
  340   2HD2  ASN  45          2HD2      ASN  45  11.013  -2.377   7.969
  341    H    CYS  46           H        CYS  46   8.096  -4.782   2.998
  342    HA   CYS  46           HA       CYS  46   5.769  -4.267   1.666
  343   1HB   CYS  46          1HB       CYS  46   7.196  -6.274   1.411
  344   2HB   CYS  46          2HB       CYS  46   6.556  -6.915   2.924
  345    HA   PRO  47           HA       PRO  47   2.464  -3.853   4.541
  346   1HB   PRO  47          1HB       PRO  47   0.418  -4.673   2.885
  347   2HB   PRO  47          2HB       PRO  47   1.228  -3.115   2.754
  348   1HG   PRO  47          1HG       PRO  47   1.861  -5.677   1.305
  349   2HG   PRO  47          2HG       PRO  47   1.503  -4.093   0.600
  350   1HD   PRO  47          1HD       PRO  47   4.010  -4.819   0.890
  351   2HD   PRO  47          2HD       PRO  47   3.540  -3.185   1.399
  352    H    GLU  48           H        GLU  48   3.482  -6.861   3.219
  353    HA   GLU  48           HA       GLU  48   1.939  -8.273   5.356
  354   1HB   GLU  48          1HB       GLU  48   1.067  -9.817   3.840
  355   2HB   GLU  48          2HB       GLU  48   1.042  -8.333   2.892
  356   1HG   GLU  48          1HG       GLU  48   3.149  -8.953   1.810
  357   2HG   GLU  48          2HG       GLU  48   3.258 -10.403   2.812
  358    H    CYS  49           H        CYS  49   4.605  -8.723   2.959
  359    HA   CYS  49           HA       CYS  49   5.897 -10.529   4.958
  360   1HB   CYS  49          1HB       CYS  49   6.758 -11.703   3.148
  361   2HB   CYS  49          2HB       CYS  49   5.259 -11.098   2.459
  362    H    GLY  50           H        GLY  50   5.955  -7.664   5.202
  363   1HA   GLY  50          1HA       GLY  50   7.533  -5.799   4.870
  364   2HA   GLY  50          2HA       GLY  50   8.049  -6.702   6.285
  365    H    THR  51           H        THR  51   8.550  -6.603   2.741
  366    HA   THR  51           HA       THR  51  11.116  -8.003   2.948
  367    HB   THR  51           HB       THR  51   9.601  -6.534   0.769
  368    HG1  THR  51           1HG      THR  51  10.020  -9.201   1.540
  369   1HG2  THR  51          1HG2      THR  51  12.034  -8.252   0.304
  370   2HG2  THR  51          2HG2      THR  51  12.184  -6.516   0.573
  371   3HG2  THR  51          3HG2      THR  51  11.260  -7.118  -0.802
  372    HA   PRO  52           HA       PRO  52  13.535  -4.418   3.792
  373   1HB   PRO  52          1HB       PRO  52  15.918  -5.211   2.685
  374   2HB   PRO  52          2HB       PRO  52  15.303  -5.837   4.228
  375   1HG   PRO  52          1HG       PRO  52  15.209  -7.049   1.500
  376   2HG   PRO  52          2HG       PRO  52  15.539  -7.816   3.061
  377   1HD   PRO  52          1HD       PRO  52  13.130  -7.962   1.795
  378   2HD   PRO  52          2HD       PRO  52  13.303  -8.022   3.564
  379    H    LEU  53           H        LEU  53  12.189  -3.178   2.182
  380    HA   LEU  53           HA       LEU  53  13.622  -2.741  -0.416
  381   1HB   LEU  53          1HB       LEU  53  10.738  -2.333   0.449
  382   2HB   LEU  53          2HB       LEU  53  11.364  -1.950  -1.159
  383    HG   LEU  53           HG       LEU  53  11.353  -4.683   0.161
  384   1HD1  LEU  53          1HD1      LEU  53   9.188  -4.474  -0.609
  385   2HD1  LEU  53          2HD1      LEU  53   9.963  -5.012  -2.099
  386   3HD1  LEU  53          3HD1      LEU  53   9.630  -3.299  -1.846
  387   1HD2  LEU  53          1HD2      LEU  53  12.203  -5.449  -2.060
  388   2HD2  LEU  53          2HD2      LEU  53  13.345  -4.396  -1.226
  389   3HD2  LEU  53          3HD2      LEU  53  12.365  -3.762  -2.548
  390    H    ARG  54           H        ARG  54  15.048  -1.286   1.025
  391    HA   ARG  54           HA       ARG  54  14.006   1.106   2.231
  392   1HB   ARG  54          1HB       ARG  54  16.400   1.753   2.195
  393   2HB   ARG  54          2HB       ARG  54  16.202   0.077   2.709
  394   1HG   ARG  54          1HG       ARG  54  16.394  -0.212  -0.008
  395   2HG   ARG  54          2HG       ARG  54  17.457   1.170   0.267
  396   1HD   ARG  54          1HD       ARG  54  18.992  -0.505   0.700
  397   2HD   ARG  54          2HD       ARG  54  18.242  -0.460   2.309
  398    HE   ARG  54           HE       ARG  54  16.852  -2.157   0.345
  399   1HH1  ARG  54          1HH2      ARG  54  18.062  -1.939   3.446
  400   2HH1  ARG  54          2HH2      ARG  54  18.542  -3.598   3.576
  401   1HH2  ARG  54          1HH1      ARG  54  17.974  -4.301   0.229
  402   2HH2  ARG  54          2HH1      ARG  54  18.492  -4.935   1.755
  403    H    LYS  55           H        LYS  55  12.579   1.220  -0.013
  404    HA   LYS  55           HA       LYS  55  13.193   3.703  -1.241
  405   1HB   LYS  55          1HB       LYS  55  13.897   2.726  -3.510
  406   2HB   LYS  55          2HB       LYS  55  15.106   2.657  -2.231
  407   1HG   LYS  55          1HG       LYS  55  15.180   0.482  -3.094
  408   2HG   LYS  55          2HG       LYS  55  14.067   0.295  -1.742
  409   1HD   LYS  55          1HD       LYS  55  13.249  -0.771  -3.859
  410   2HD   LYS  55          2HD       LYS  55  12.155   0.461  -3.234
  411   1HE   LYS  55          1HE       LYS  55  12.435   1.762  -5.084
  412   2HE   LYS  55          2HE       LYS  55  14.197   1.552  -5.052
  413   1HZ   LYS  55          1HZ       LYS  55  12.168  -0.394  -6.039
  414   2HZ   LYS  55          2HZ       LYS  55  13.822  -0.743  -5.871
  415   3HZ   LYS  55          3HZ       LYS  55  13.309   0.438  -6.979
  416    H    SER  56           H        SER  56  10.926   2.125  -0.281
  417    HA   SER  56           HA       SER  56   8.687   1.698  -0.872
  418   1HB   SER  56          1HB       SER  56   9.600   3.456  -3.181
  419   2HB   SER  56          2HB       SER  56   7.918   3.099  -2.802
  420    HG   SER  56           HG       SER  56   8.456   3.919  -0.631
  421    H    ASN  57           H        ASN  57   9.115   1.952  -4.284
  422    HA   ASN  57           HA       ASN  57   9.538   0.366  -5.997
  423   1HB   ASN  57          1HB       ASN  57  10.749  -1.472  -5.465
  424   2HB   ASN  57          2HB       ASN  57  10.866  -0.713  -3.885
  425   1HD2  ASN  57          1HD2      ASN  57  10.766  -3.660  -4.745
  426   2HD2  ASN  57          2HD2      ASN  57   9.527  -4.327  -3.798
  427    H    PHE  58           H        PHE  58   7.016   1.211  -5.324
  428    HA   PHE  58           HA       PHE  58   5.343  -1.268  -5.484
  429   1HB   PHE  58          1HB       PHE  58   4.744   1.544  -4.506
  430   2HB   PHE  58          2HB       PHE  58   3.561   0.262  -4.555
  431    HD1  PHE  58           1HD      PHE  58   6.959   1.062  -3.217
  432    HD2  PHE  58           2HD      PHE  58   3.409  -1.328  -2.861
  433    HE1  PHE  58           1HE      PHE  58   7.817   0.083  -1.102
  434    HE2  PHE  58           2HE      PHE  58   4.269  -2.295  -0.752
  435    HZ   PHE  58           HZ       PHE  58   6.474  -1.590   0.127
  436    H    ARG  59           H        ARG  59   4.730  -1.700  -7.514
  437    HA   ARG  59           HA       ARG  59   4.379   0.521  -9.482
  438   1HB   ARG  59          1HB       ARG  59   4.022  -1.948 -10.784
  439   2HB   ARG  59          2HB       ARG  59   5.473  -0.959 -10.811
  440   1HG   ARG  59          1HG       ARG  59   4.939  -3.023  -8.655
  441   2HG   ARG  59          2HG       ARG  59   5.830  -3.374 -10.131
  442   1HD   ARG  59          1HD       ARG  59   6.672  -0.979  -8.533
  443   2HD   ARG  59          2HD       ARG  59   7.126  -2.590  -7.945
  444    HE   ARG  59           HE       ARG  59   8.327  -1.292 -10.178
  445   1HH1  ARG  59          1HH2      ARG  59   7.708  -4.303  -8.769
  446   2HH1  ARG  59          2HH2      ARG  59   8.235  -5.234 -10.131
  447   1HH2  ARG  59          1HH1      ARG  59   8.639  -2.475 -12.194
  448   2HH2  ARG  59          2HH1      ARG  59   8.761  -4.198 -12.071
  449    H    VAL  60           H        VAL  60   2.347   1.298  -9.021
  450    HA   VAL  60           HA       VAL  60   0.092  -0.489  -8.480
  451    HB   VAL  60           HB       VAL  60   0.712   1.766  -7.436
  452   1HG1  VAL  60          1HG1      VAL  60  -0.889   3.190  -9.428
  453   2HG1  VAL  60          2HG1      VAL  60   0.624   2.579 -10.095
  454   3HG1  VAL  60          3HG1      VAL  60   0.646   3.645  -8.690
  455   1HG2  VAL  60          1HG2      VAL  60  -1.391   0.938  -6.804
  456   2HG2  VAL  60          2HG2      VAL  60  -2.009   0.975  -8.455
  457   3HG2  VAL  60          3HG2      VAL  60  -1.818   2.477  -7.552
  458    H    GLN  61           H        GLN  61  -1.772  -0.668  -9.689
  459    HA   GLN  61           HA       GLN  61  -2.315   0.644 -12.188
  460   1HB   GLN  61          1HB       GLN  61  -1.648  -1.107 -13.713
  461   2HB   GLN  61          2HB       GLN  61  -0.257  -0.790 -12.676
  462   1HG   GLN  61          1HG       GLN  61  -0.986  -2.686 -11.212
  463   2HG   GLN  61          2HG       GLN  61  -2.273  -3.037 -12.365
  464   1HE2  GLN  61          1HE2      GLN  61  -0.468  -5.078 -11.990
  465   2HE2  GLN  61          2HE2      GLN  61   0.594  -5.202 -13.309
  466    H    LEU  62           H        LEU  62  -4.254  -0.459 -13.247
  467    HA   LEU  62           HA       LEU  62  -5.595  -2.705 -12.094
  468   1HB   LEU  62          1HB       LEU  62  -5.458  -0.581 -10.359
  469   2HB   LEU  62          2HB       LEU  62  -7.019  -0.303 -11.124
  470    HG   LEU  62           HG       LEU  62  -7.082  -3.017 -10.642
  471   1HD1  LEU  62          1HD1      LEU  62  -5.743  -1.664  -8.275
  472   2HD1  LEU  62          2HD1      LEU  62  -4.972  -2.842  -9.336
  473   3HD1  LEU  62          3HD1      LEU  62  -6.332  -3.325  -8.322
  474   1HD2  LEU  62          1HD2      LEU  62  -8.871  -2.465  -9.289
  475   2HD2  LEU  62          2HD2      LEU  62  -8.632  -0.902 -10.070
  476   3HD2  LEU  62          3HD2      LEU  62  -7.981  -1.191  -8.456
  477    H    PHE  63           H        PHE  63  -5.214  -1.426 -14.694
  478    HA   PHE  63           HA       PHE  63  -7.955  -1.569 -15.680
  479   1HB   PHE  63          1HB       PHE  63  -7.841   0.689 -14.637
  480   2HB   PHE  63          2HB       PHE  63  -6.483   1.087 -15.691
  481    HD1  PHE  63           1HD      PHE  63  -6.917   2.117 -17.740
  482    HD2  PHE  63           2HD      PHE  63  -9.993  -0.231 -15.875
  483    HE1  PHE  63           1HE      PHE  63  -8.502   2.770 -19.532
  484    HE2  PHE  63           2HE      PHE  63 -11.578   0.421 -17.668
  485    HZ   PHE  63           HZ       PHE  63 -10.832   1.921 -19.496
  486    H    GLU  64           H        GLU  64  -5.755  -3.064 -16.436
  487    HA   GLU  64           HA       GLU  64  -4.054  -2.160 -18.469
  488   1HB   GLU  64          1HB       GLU  64  -5.024  -4.608 -17.375
  489   2HB   GLU  64          2HB       GLU  64  -5.109  -4.749 -19.132
  490   1HG   GLU  64          1HG       GLU  64  -2.736  -3.957 -19.256
  491   2HG   GLU  64          2HG       GLU  64  -2.675  -3.975 -17.493
  492    H    ASP  65           H        ASP  65  -4.965  -0.707 -19.971
  493    HA   ASP  65           HA       ASP  65  -7.439  -1.490 -21.415
  494   1HB   ASP  65          1HB       ASP  65  -7.265   0.782 -20.600
  495   2HB   ASP  65          2HB       ASP  65  -5.677   0.977 -21.344
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  -9.346  -7.971  -8.716
    2   2H    MET   1          2HT       MET   1  -8.249  -7.108  -7.747
    3   3H    MET   1          3HT       MET   1  -8.085  -7.096  -9.438
    4    HA   MET   1           HA       MET   1  -9.165  -5.129  -9.299
    5   1HB   MET   1          1HB       MET   1 -11.434  -7.087  -8.817
    6   2HB   MET   1          2HB       MET   1 -11.543  -5.537  -9.650
    7   1HG   MET   1          1HG       MET   1  -9.809  -7.855 -10.559
    8   2HG   MET   1          2HG       MET   1 -11.404  -7.488 -11.216
    9   1HE   MET   1          1HE       MET   1 -11.658  -6.752 -13.063
   10   2HE   MET   1          2HE       MET   1 -10.713  -5.664 -14.076
   11   3HE   MET   1          3HE       MET   1 -11.796  -5.002 -12.855
   12    H    ASP   2           H        ASP   2 -11.743  -4.714  -7.900
   13    HA   ASP   2           HA       ASP   2 -10.901  -3.464  -5.527
   14   1HB   ASP   2          1HB       ASP   2 -13.560  -4.718  -6.287
   15   2HB   ASP   2          2HB       ASP   2 -13.345  -3.563  -4.970
   16    H    ASP   3           H        ASP   3 -13.302  -5.869  -4.808
   17    HA   ASP   3           HA       ASP   3 -13.332  -7.418  -3.005
   18   1HB   ASP   3          1HB       ASP   3 -10.783  -8.178  -4.466
   19   2HB   ASP   3          2HB       ASP   3 -11.802  -9.255  -3.511
   20    H    GLN   4           H        GLN   4 -10.881  -8.675  -1.925
   21    HA   GLN   4           HA       GLN   4 -10.375  -7.077   0.334
   22   1HB   GLN   4          1HB       GLN   4  -9.837  -9.520  -0.105
   23   2HB   GLN   4          2HB       GLN   4  -8.430  -8.973  -1.017
   24   1HG   GLN   4          1HG       GLN   4  -7.995  -9.557   1.425
   25   2HG   GLN   4          2HG       GLN   4  -7.464  -7.951   0.926
   26   1HE2  GLN   4          1HE2      GLN   4  -7.836  -6.670   2.769
   27   2HE2  GLN   4          2HE2      GLN   4  -9.319  -6.583   3.591
   28    H    GLY   5           H        GLY   5  -8.356  -7.383  -2.610
   29   1HA   GLY   5          1HA       GLY   5  -6.496  -6.071  -3.279
   30   2HA   GLY   5          2HA       GLY   5  -7.707  -4.798  -3.165
   31    H    CYS   6           H        CYS   6  -7.085  -3.122  -1.895
   32    HA   CYS   6           HA       CYS   6  -4.807  -2.684  -0.507
   33   1HB   CYS   6          1HB       CYS   6  -6.428  -0.959  -0.659
   34   2HB   CYS   6          2HB       CYS   6  -7.670  -1.937   0.090
   35    HA   PRO   7           HA       PRO   7  -5.097  -5.741   2.775
   36   1HB   PRO   7          1HB       PRO   7  -2.398  -5.900   3.182
   37   2HB   PRO   7          2HB       PRO   7  -3.231  -6.749   1.868
   38   1HG   PRO   7          1HG       PRO   7  -1.474  -4.398   1.780
   39   2HG   PRO   7          2HG       PRO   7  -1.892  -5.541   0.499
   40   1HD   PRO   7          1HD       PRO   7  -2.950  -2.917   0.946
   41   2HD   PRO   7          2HD       PRO   7  -3.380  -4.067  -0.336
   42    H    ARG   8           H        ARG   8  -3.708  -2.531   2.792
   43    HA   ARG   8           HA       ARG   8  -3.319  -2.591   5.750
   44   1HB   ARG   8          1HB       ARG   8  -1.790  -1.617   3.765
   45   2HB   ARG   8          2HB       ARG   8  -2.761  -0.178   4.080
   46   1HG   ARG   8          1HG       ARG   8  -1.715   0.215   6.046
   47   2HG   ARG   8          2HG       ARG   8  -1.812  -1.481   6.529
   48   1HD   ARG   8          1HD       ARG   8   0.173  -2.031   5.276
   49   2HD   ARG   8          2HD       ARG   8   0.167  -0.453   4.462
   50    HE   ARG   8           HE       ARG   8   0.669   0.570   6.673
   51   1HH1  ARG   8          1HH1      ARG   8   2.176  -2.252   5.873
   52   2HH1  ARG   8          2HH1      ARG   8   2.605  -2.720   7.484
   53   1HH2  ARG   8          1HH2      ARG   8   0.654  -0.282   8.994
   54   2HH2  ARG   8          2HH2      ARG   8   1.745  -1.603   9.251
   55    H    CYS   9           H        CYS   9  -4.673  -0.158   3.473
   56    HA   CYS   9           HA       CYS   9  -6.581   0.652   5.618
   57   1HB   CYS   9          1HB       CYS   9  -7.029   2.262   3.362
   58   2HB   CYS   9          2HB       CYS   9  -6.118   2.698   4.793
   59    H    LYS  10           H        LYS  10  -7.137  -1.869   4.479
   60    HA   LYS  10           HA       LYS  10  -8.628  -2.482   2.396
   61   1HB   LYS  10          1HB       LYS  10  -9.927  -3.917   3.767
   62   2HB   LYS  10          2HB       LYS  10  -8.450  -3.637   4.686
   63   1HG   LYS  10          1HG       LYS  10  -9.835  -1.625   5.695
   64   2HG   LYS  10          2HG       LYS  10 -11.216  -2.587   5.166
   65   1HD   LYS  10          1HD       LYS  10  -9.098  -4.095   6.586
   66   2HD   LYS  10          2HD       LYS  10  -9.966  -2.917   7.572
   67   1HE   LYS  10          1HE       LYS  10 -11.711  -4.360   7.710
   68   2HE   LYS  10          2HE       LYS  10 -11.879  -4.312   5.943
   69   1HZ   LYS  10          1HZ       LYS  10  -9.819  -5.838   6.003
   70   2HZ   LYS  10          2HZ       LYS  10 -11.331  -6.520   6.366
   71   3HZ   LYS  10          3HZ       LYS  10 -10.251  -6.128   7.617
   72    H    THR  11           H        THR  11  -9.349  -0.495   1.339
   73    HA   THR  11           HA       THR  11 -12.164   0.055   1.711
   74    HB   THR  11           HB       THR  11 -10.677   1.095   3.683
   75    HG1  THR  11           1HG      THR  11 -12.785   1.485   3.757
   76   1HG2  THR  11          1HG2      THR  11  -9.156   2.353   2.253
   77   2HG2  THR  11          2HG2      THR  11 -10.152   3.487   3.167
   78   3HG2  THR  11          3HG2      THR  11 -10.511   3.170   1.466
   79    H    THR  12           H        THR  12  -9.054   1.341   0.706
   80    HA   THR  12           HA       THR  12  -9.641   3.280  -1.112
   81    HB   THR  12           HB       THR  12  -7.603   1.460  -2.119
   82    HG1  THR  12           1HG      THR  12  -7.286   2.234   0.552
   83   1HG2  THR  12          1HG2      THR  12  -6.306   3.482  -1.056
   84   2HG2  THR  12          2HG2      THR  12  -7.910   4.202  -1.024
   85   3HG2  THR  12          3HG2      THR  12  -7.201   3.673  -2.548
   86    H    LYS  13           H        LYS  13  -8.625   0.455  -2.947
   87    HA   LYS  13           HA       LYS  13 -10.204   0.978  -5.161
   88   1HB   LYS  13          1HB       LYS  13  -9.472  -1.137  -5.873
   89   2HB   LYS  13          2HB       LYS  13  -8.287  -0.688  -4.661
   90   1HG   LYS  13          1HG       LYS  13 -10.738  -2.353  -4.040
   91   2HG   LYS  13          2HG       LYS  13  -9.165  -3.048  -4.434
   92   1HD   LYS  13          1HD       LYS  13  -8.163  -1.791  -2.552
   93   2HD   LYS  13          2HD       LYS  13  -9.754  -1.151  -2.138
   94   1HE   LYS  13          1HE       LYS  13 -10.456  -3.693  -2.093
   95   2HE   LYS  13          2HE       LYS  13  -8.720  -3.963  -1.865
   96   1HZ   LYS  13          1HZ       LYS  13  -8.945  -3.296   0.236
   97   2HZ   LYS  13          2HZ       LYS  13 -10.606  -3.025   0.003
   98   3HZ   LYS  13          3HZ       LYS  13  -9.491  -1.777  -0.288
   99    H    TYR  14           H        TYR  14 -11.284  -0.322  -2.120
  100    HA   TYR  14           HA       TYR  14 -13.705  -1.567  -3.161
  101   1HB   TYR  14          1HB       TYR  14 -12.219  -1.655  -0.846
  102   2HB   TYR  14          2HB       TYR  14 -13.587  -0.676  -0.344
  103    HD1  TYR  14           1HD      TYR  14 -14.996  -2.086   0.907
  104    HD2  TYR  14           2HD      TYR  14 -13.377  -3.464  -2.825
  105    HE1  TYR  14           1HE      TYR  14 -16.392  -4.130   1.058
  106    HE2  TYR  14           2HE      TYR  14 -14.772  -5.509  -2.675
  107    HH   TYR  14           HH       TYR  14 -16.849  -6.238  -1.575
  108    H    ARG  15           H        ARG  15 -12.855   1.460  -1.513
  109    HA   ARG  15           HA       ARG  15 -15.515   2.657  -2.055
  110   1HB   ARG  15          1HB       ARG  15 -13.088   3.163  -0.426
  111   2HB   ARG  15          2HB       ARG  15 -13.891   4.610  -1.024
  112   1HG   ARG  15          1HG       ARG  15 -15.346   4.372   0.692
  113   2HG   ARG  15          2HG       ARG  15 -15.964   2.936  -0.132
  114   1HD   ARG  15          1HD       ARG  15 -13.572   2.918   1.730
  115   2HD   ARG  15          2HD       ARG  15 -15.215   2.471   2.228
  116    HE   ARG  15           HE       ARG  15 -13.567   1.021   0.171
  117   1HH1  ARG  15          1HH1      ARG  15 -14.606   0.003   2.928
  118   2HH1  ARG  15          2HH1      ARG  15 -15.889  -1.038   2.404
  119   1HH2  ARG  15          1HH2      ARG  15 -15.978   0.250  -0.813
  120   2HH2  ARG  15          2HH2      ARG  15 -16.664  -0.898   0.287
  121    H    ASN  16           H        ASN  16 -12.148   3.657  -2.512
  122    HA   ASN  16           HA       ASN  16 -12.616   5.538  -4.629
  123   1HB   ASN  16          1HB       ASN  16 -10.403   4.182  -3.192
  124   2HB   ASN  16          2HB       ASN  16 -10.009   4.745  -4.822
  125   1HD2  ASN  16          1HD2      ASN  16  -8.575   6.080  -3.115
  126   2HD2  ASN  16          2HD2      ASN  16  -9.212   7.608  -2.728
  127    HA   PRO  17           HA       PRO  17 -12.863   2.183  -7.652
  128   1HB   PRO  17          1HB       PRO  17 -14.277   3.606  -9.517
  129   2HB   PRO  17          2HB       PRO  17 -15.038   2.821  -8.121
  130   1HG   PRO  17          1HG       PRO  17 -14.471   5.675  -8.624
  131   2HG   PRO  17          2HG       PRO  17 -15.722   4.932  -7.622
  132   1HD   PRO  17          1HD       PRO  17 -13.291   6.090  -6.750
  133   2HD   PRO  17          2HD       PRO  17 -14.446   5.164  -5.772
  134    H    SER  18           H        SER  18 -11.677   5.455  -7.951
  135    HA   SER  18           HA       SER  18 -10.277   4.832 -10.507
  136   1HB   SER  18          1HB       SER  18 -10.771   7.332  -8.866
  137   2HB   SER  18          2HB       SER  18  -9.760   7.324 -10.308
  138    HG   SER  18           HG       SER  18 -11.956   7.868 -10.746
  139    H    LEU  19           H        LEU  19  -9.174   3.293  -8.568
  140    HA   LEU  19           HA       LEU  19  -6.512   4.534  -8.186
  141   1HB   LEU  19          1HB       LEU  19  -6.691   4.752  -5.926
  142   2HB   LEU  19          2HB       LEU  19  -8.425   4.694  -6.218
  143    HG   LEU  19           HG       LEU  19  -7.971   2.046  -6.085
  144   1HD1  LEU  19          1HD1      LEU  19  -5.508   3.248  -5.232
  145   2HD1  LEU  19          2HD1      LEU  19  -5.916   1.538  -5.371
  146   3HD1  LEU  19          3HD1      LEU  19  -6.257   2.407  -3.875
  147   1HD2  LEU  19          1HD2      LEU  19  -8.469   4.120  -3.998
  148   2HD2  LEU  19          2HD2      LEU  19  -8.238   2.454  -3.502
  149   3HD2  LEU  19          3HD2      LEU  19  -9.546   2.860  -4.603
  150    H    LYS  20           H        LYS  20  -5.082   2.679  -6.985
  151    HA   LYS  20           HA       LYS  20  -5.991  -0.036  -7.733
  152   1HB   LYS  20          1HB       LYS  20  -3.692   1.433  -9.057
  153   2HB   LYS  20          2HB       LYS  20  -3.971  -0.303  -9.222
  154   1HG   LYS  20          1HG       LYS  20  -6.270   0.218 -10.040
  155   2HG   LYS  20          2HG       LYS  20  -5.849   1.926 -10.014
  156   1HD   LYS  20          1HD       LYS  20  -3.903   0.240 -11.425
  157   2HD   LYS  20          2HD       LYS  20  -5.495   0.279 -12.180
  158   1HE   LYS  20          1HE       LYS  20  -4.001   2.786 -11.334
  159   2HE   LYS  20          2HE       LYS  20  -3.930   2.111 -12.975
  160   1HZ   LYS  20          1HZ       LYS  20  -6.247   3.194 -11.495
  161   2HZ   LYS  20          2HZ       LYS  20  -6.490   2.040 -12.719
  162   3HZ   LYS  20          3HZ       LYS  20  -5.750   3.527 -13.081
  163    H    LEU  21           H        LEU  21  -3.872  -1.507  -7.540
  164    HA   LEU  21           HA       LEU  21  -2.614  -0.828  -4.920
  165   1HB   LEU  21          1HB       LEU  21  -3.662  -3.358  -6.192
  166   2HB   LEU  21          2HB       LEU  21  -2.556  -3.421  -4.826
  167    HG   LEU  21           HG       LEU  21  -4.125  -2.115  -3.463
  168   1HD1  LEU  21          1HD1      LEU  21  -5.520  -1.833  -6.091
  169   2HD1  LEU  21          2HD1      LEU  21  -5.343  -0.657  -4.787
  170   3HD1  LEU  21          3HD1      LEU  21  -6.522  -1.959  -4.647
  171   1HD2  LEU  21          1HD2      LEU  21  -5.096  -4.586  -4.860
  172   2HD2  LEU  21          2HD2      LEU  21  -6.149  -3.775  -3.703
  173   3HD2  LEU  21          3HD2      LEU  21  -4.577  -4.384  -3.186
  174    H    MET  22           H        MET  22  -0.358  -0.862  -4.880
  175    HA   MET  22           HA       MET  22   0.979  -1.455  -7.429
  176   1HB   MET  22          1HB       MET  22   2.714  -0.695  -5.252
  177   2HB   MET  22          2HB       MET  22   2.431   0.137  -6.762
  178   1HG   MET  22          1HG       MET  22   0.194   0.898  -5.647
  179   2HG   MET  22          2HG       MET  22   1.016   0.489  -4.141
  180   1HE   MET  22          1HE       MET  22   1.174   4.357  -4.276
  181   2HE   MET  22          2HE       MET  22   0.388   2.923  -3.621
  182   3HE   MET  22          3HE       MET  22  -0.043   3.497  -5.230
  183    H    VAL  23           H        VAL  23   2.062  -3.235  -7.829
  184    HA   VAL  23           HA       VAL  23   2.331  -5.313  -5.740
  185    HB   VAL  23           HB       VAL  23   2.758  -5.064  -8.711
  186   1HG1  VAL  23          1HG1      VAL  23   4.508  -6.561  -7.897
  187   2HG1  VAL  23          2HG1      VAL  23   3.257  -7.518  -8.690
  188   3HG1  VAL  23          3HG1      VAL  23   3.333  -7.450  -6.929
  189   1HG2  VAL  23          1HG2      VAL  23   0.884  -6.563  -8.848
  190   2HG2  VAL  23          2HG2      VAL  23   0.459  -5.277  -7.717
  191   3HG2  VAL  23          3HG2      VAL  23   0.937  -6.863  -7.110
  192    H    ASN  24           H        ASN  24   4.642  -6.403  -5.663
  193    HA   ASN  24           HA       ASN  24   6.754  -4.482  -6.396
  194   1HB   ASN  24          1HB       ASN  24   5.629  -4.887  -3.690
  195   2HB   ASN  24          2HB       ASN  24   7.380  -4.654  -3.814
  196   1HD2  ASN  24          1HD2      ASN  24   7.518  -2.990  -6.050
  197   2HD2  ASN  24          2HD2      ASN  24   6.729  -1.542  -5.754
  198    H    VAL  25           H        VAL  25   8.558  -5.515  -6.901
  199    HA   VAL  25           HA       VAL  25   9.786  -7.554  -7.407
  200    HB   VAL  25           HB       VAL  25  11.212  -6.180  -6.214
  201   1HG1  VAL  25          1HG1      VAL  25   9.105  -6.305  -4.116
  202   2HG1  VAL  25          2HG1      VAL  25  10.013  -4.924  -4.721
  203   3HG1  VAL  25          3HG1      VAL  25  10.757  -6.032  -3.568
  204   1HG2  VAL  25          1HG2      VAL  25  10.972  -8.399  -4.187
  205   2HG2  VAL  25          2HG2      VAL  25  12.409  -7.482  -4.636
  206   3HG2  VAL  25          3HG2      VAL  25  11.708  -8.634  -5.773
  207    H    CYS  26           H        CYS  26   9.111  -8.118  -3.927
  208    HA   CYS  26           HA       CYS  26   9.037 -10.953  -4.150
  209   1HB   CYS  26          1HB       CYS  26   7.960 -10.755  -1.901
  210   2HB   CYS  26          2HB       CYS  26   9.363  -9.701  -2.072
  211    H    GLY  27           H        GLY  27   6.710  -8.664  -5.196
  212   1HA   GLY  27          1HA       GLY  27   4.808  -9.445  -6.546
  213   2HA   GLY  27          2HA       GLY  27   4.682 -10.838  -5.465
  214    H    HIS  28           H        HIS  28   2.931 -10.629  -4.141
  215    HA   HIS  28           HA       HIS  28   1.237  -9.585  -2.855
  216   1HB   HIS  28          1HB       HIS  28   3.774  -8.074  -2.198
  217   2HB   HIS  28          2HB       HIS  28   2.322  -8.022  -1.203
  218    HD2  HIS  28           2HD      HIS  28   1.539 -11.218  -1.445
  219    HE1  HIS  28           1HE      HIS  28   5.386 -12.032   0.056
  220    HE2  HIS  28           2HE      HIS  28   3.089 -13.003  -0.365
  221    H    THR  29           H        THR  29   0.808  -6.920  -2.127
  222    HA   THR  29           HA       THR  29   1.021  -5.222  -4.524
  223    HB   THR  29           HB       THR  29  -0.961  -7.134  -4.310
  224    HG1  THR  29           1HG      THR  29  -0.675  -4.750  -5.775
  225   1HG2  THR  29          1HG2      THR  29  -2.060  -4.447  -3.409
  226   2HG2  THR  29          2HG2      THR  29  -2.292  -6.026  -2.662
  227   3HG2  THR  29          3HG2      THR  29  -3.073  -5.656  -4.196
  228    H    LEU  30           H        LEU  30  -0.301  -3.124  -4.153
  229    HA   LEU  30           HA       LEU  30  -0.876  -2.558  -1.323
  230   1HB   LEU  30          1HB       LEU  30   1.670  -2.418  -1.977
  231   2HB   LEU  30          2HB       LEU  30   1.220  -0.860  -2.631
  232    HG   LEU  30           HG       LEU  30   0.630  -0.028  -0.533
  233   1HD1  LEU  30          1HD1      LEU  30   0.446  -1.585   1.484
  234   2HD1  LEU  30          2HD1      LEU  30   0.459  -2.915   0.333
  235   3HD1  LEU  30          3HD1      LEU  30  -0.828  -1.732   0.284
  236   1HD2  LEU  30          1HD2      LEU  30   3.009  -0.200  -0.588
  237   2HD2  LEU  30          2HD2      LEU  30   2.957  -1.927  -0.234
  238   3HD2  LEU  30          3HD2      LEU  30   2.522  -0.757   1.013
  239    H    CYS  31           H        CYS  31  -2.879  -1.701  -1.755
  240    HA   CYS  31           HA       CYS  31  -3.814  -0.188  -3.900
  241   1HB   CYS  31          1HB       CYS  31  -5.590  -0.081  -2.513
  242   2HB   CYS  31          2HB       CYS  31  -4.623  -0.992  -1.390
  243    H    GLU  32           H        GLU  32  -4.351   2.270  -3.706
  244    HA   GLU  32           HA       GLU  32  -1.854   3.731  -3.675
  245   1HB   GLU  32          1HB       GLU  32  -3.304   5.629  -4.217
  246   2HB   GLU  32          2HB       GLU  32  -3.847   4.211  -5.112
  247   1HG   GLU  32          1HG       GLU  32  -5.857   5.023  -4.276
  248   2HG   GLU  32          2HG       GLU  32  -5.419   3.849  -3.043
  249    H    SER  33           H        SER  33  -4.642   3.608  -1.465
  250    HA   SER  33           HA       SER  33  -3.701   5.523   0.430
  251   1HB   SER  33          1HB       SER  33  -5.601   3.135   0.639
  252   2HB   SER  33          2HB       SER  33  -5.352   4.315   1.934
  253    HG   SER  33           HG       SER  33  -6.845   5.373   0.924
  254    H    CYS  34           H        CYS  34  -2.508   2.315  -0.220
  255    HA   CYS  34           HA       CYS  34  -1.628   1.873   2.553
  256   1HB   CYS  34          1HB       CYS  34  -1.224   0.536  -0.123
  257   2HB   CYS  34          2HB       CYS  34  -0.223   0.121   1.264
  258    H    VAL  35           H        VAL  35   0.078   2.414  -0.543
  259    HA   VAL  35           HA       VAL  35   2.674   2.729   0.287
  260    HB   VAL  35           HB       VAL  35   0.923   3.876  -1.816
  261   1HG1  VAL  35          1HG1      VAL  35   3.347   5.276  -0.819
  262   2HG1  VAL  35          2HG1      VAL  35   1.956   5.919  -1.693
  263   3HG1  VAL  35          3HG1      VAL  35   3.229   5.065  -2.566
  264   1HG2  VAL  35          1HG2      VAL  35   3.379   3.108  -2.861
  265   2HG2  VAL  35          2HG2      VAL  35   1.931   2.105  -2.761
  266   3HG2  VAL  35          3HG2      VAL  35   3.144   2.026  -1.490
  267    H    ASP  36           H        ASP  36   0.017   4.954   0.968
  268    HA   ASP  36           HA       ASP  36   1.766   7.108   1.903
  269   1HB   ASP  36          1HB       ASP  36  -0.722   7.387   3.203
  270   2HB   ASP  36          2HB       ASP  36  -0.209   8.200   1.735
  271    H    LEU  37           H        LEU  37  -0.609   5.391   3.955
  272    HA   LEU  37           HA       LEU  37   0.649   5.790   6.418
  273   1HB   LEU  37          1HB       LEU  37  -1.126   3.720   5.203
  274   2HB   LEU  37          2HB       LEU  37  -0.446   3.383   6.795
  275    HG   LEU  37           HG       LEU  37  -1.257   5.952   7.150
  276   1HD1  LEU  37          1HD1      LEU  37  -3.729   5.659   6.125
  277   2HD1  LEU  37          2HD1      LEU  37  -2.814   4.791   4.892
  278   3HD1  LEU  37          3HD1      LEU  37  -2.436   6.476   5.248
  279   1HD2  LEU  37          1HD2      LEU  37  -3.546   4.548   7.784
  280   2HD2  LEU  37          2HD2      LEU  37  -2.111   4.652   8.805
  281   3HD2  LEU  37          3HD2      LEU  37  -2.329   3.273   7.727
  282    H    LEU  38           H        LEU  38   1.307   3.272   4.029
  283    HA   LEU  38           HA       LEU  38   3.066   1.641   5.517
  284   1HB   LEU  38          1HB       LEU  38   1.974   1.558   3.107
  285   2HB   LEU  38          2HB       LEU  38   3.518   2.250   2.617
  286    HG   LEU  38           HG       LEU  38   3.790  -0.114   2.447
  287   1HD1  LEU  38          1HD1      LEU  38   4.893   0.782   5.128
  288   2HD1  LEU  38          2HD1      LEU  38   5.667   1.026   3.563
  289   3HD1  LEU  38          3HD1      LEU  38   5.466  -0.606   4.201
  290   1HD2  LEU  38          1HD2      LEU  38   1.928  -0.982   3.629
  291   2HD2  LEU  38          2HD2      LEU  38   2.373  -0.143   5.114
  292   3HD2  LEU  38          3HD2      LEU  38   3.321  -1.526   4.565
  293    H    PHE  39           H        PHE  39   3.933   4.389   3.357
  294    HA   PHE  39           HA       PHE  39   6.733   4.196   4.230
  295   1HB   PHE  39          1HB       PHE  39   5.463   6.244   2.413
  296   2HB   PHE  39          2HB       PHE  39   7.139   5.694   2.420
  297    HD1  PHE  39           1HD      PHE  39   6.199   2.717   2.997
  298    HD2  PHE  39           2HD      PHE  39   5.230   5.640   0.003
  299    HE1  PHE  39           1HE      PHE  39   5.579   0.904   1.432
  300    HE2  PHE  39           2HE      PHE  39   4.603   3.816  -1.560
  301    HZ   PHE  39           HZ       PHE  39   4.758   1.456  -0.825
  302    H    VAL  40           H        VAL  40   4.004   6.401   4.826
  303    HA   VAL  40           HA       VAL  40   5.466   8.608   5.827
  304    HB   VAL  40           HB       VAL  40   3.361   8.880   7.289
  305   1HG1  VAL  40          1HG1      VAL  40   3.136   8.447   4.297
  306   2HG1  VAL  40          2HG1      VAL  40   3.585   9.948   5.106
  307   3HG1  VAL  40          3HG1      VAL  40   1.950   9.308   5.277
  308   1HG2  VAL  40          1HG2      VAL  40   2.073   7.064   7.559
  309   2HG2  VAL  40          2HG2      VAL  40   3.109   6.135   6.475
  310   3HG2  VAL  40          3HG2      VAL  40   1.761   7.068   5.826
  311    H    ARG  41           H        ARG  41   5.059   5.422   7.210
  312    HA   ARG  41           HA       ARG  41   5.938   6.328   9.895
  313   1HB   ARG  41          1HB       ARG  41   5.960   3.439   9.295
  314   2HB   ARG  41          2HB       ARG  41   5.158   4.302  10.601
  315   1HG   ARG  41          1HG       ARG  41   3.564   5.121   8.656
  316   2HG   ARG  41          2HG       ARG  41   4.164   3.667   7.857
  317   1HD   ARG  41          1HD       ARG  41   2.718   3.838  10.522
  318   2HD   ARG  41          2HD       ARG  41   2.201   2.974   9.059
  319    HE   ARG  41           HE       ARG  41   4.240   2.076  10.972
  320   1HH1  ARG  41          1HH1      ARG  41   5.303   2.194   8.062
  321   2HH1  ARG  41          2HH1      ARG  41   5.021   0.559   7.565
  322   1HH2  ARG  41          1HH2      ARG  41   2.888  -0.154  10.205
  323   2HH2  ARG  41          2HH2      ARG  41   3.651  -0.769   8.778
  324    H    GLY  42           H        GLY  42   7.316   5.083   6.947
  325   1HA   GLY  42          1HA       GLY  42   9.975   5.655   7.655
  326   2HA   GLY  42          2HA       GLY  42   9.710   3.970   8.095
  327    H    ALA  43           H        ALA  43   7.763   3.672   5.735
  328    HA   ALA  43           HA       ALA  43   7.968   3.012   3.447
  329   1HB   ALA  43          1HB       ALA  43  10.371   4.657   3.014
  330   2HB   ALA  43          2HB       ALA  43   9.044   5.530   3.778
  331   3HB   ALA  43          3HB       ALA  43   8.798   4.740   2.221
  332    H    GLY  44           H        GLY  44   8.823   1.034   2.880
  333   1HA   GLY  44          1HA       GLY  44  11.003  -0.030   2.113
  334   2HA   GLY  44          2HA       GLY  44  11.658   0.484   3.667
  335    H    ASN  45           H        ASN  45   8.426  -0.886   3.108
  336    HA   ASN  45           HA       ASN  45   9.242  -3.503   4.217
  337   1HB   ASN  45          1HB       ASN  45   7.255  -1.708   5.646
  338   2HB   ASN  45          2HB       ASN  45   7.841  -3.278   6.193
  339   1HD2  ASN  45          1HD2      ASN  45   9.977  -3.380   7.138
  340   2HD2  ASN  45          2HD2      ASN  45  10.873  -1.985   7.503
  341    H    CYS  46           H        CYS  46   8.049  -4.983   3.063
  342    HA   CYS  46           HA       CYS  46   5.925  -4.316   1.291
  343   1HB   CYS  46          1HB       CYS  46   7.387  -6.381   1.315
  344   2HB   CYS  46          2HB       CYS  46   6.427  -6.965   2.675
  345    HA   PRO  47           HA       PRO  47   2.460  -3.810   3.958
  346   1HB   PRO  47          1HB       PRO  47   0.534  -4.574   2.145
  347   2HB   PRO  47          2HB       PRO  47   1.363  -3.017   2.110
  348   1HG   PRO  47          1HG       PRO  47   2.033  -5.526   0.605
  349   2HG   PRO  47          2HG       PRO  47   1.807  -3.890  -0.039
  350   1HD   PRO  47          1HD       PRO  47   4.239  -4.783   0.419
  351   2HD   PRO  47          2HD       PRO  47   3.815  -3.131   0.905
  352    H    GLU  48           H        GLU  48   3.545  -6.792   2.689
  353    HA   GLU  48           HA       GLU  48   1.746  -8.224   4.593
  354   1HB   GLU  48          1HB       GLU  48   2.179  -9.962   2.431
  355   2HB   GLU  48          2HB       GLU  48   0.681  -9.150   2.843
  356   1HG   GLU  48          1HG       GLU  48   1.644  -7.145   1.495
  357   2HG   GLU  48          2HG       GLU  48   2.780  -8.326   0.837
  358    H    CYS  49           H        CYS  49   4.480  -9.081   2.377
  359    HA   CYS  49           HA       CYS  49   5.494 -10.894   4.465
  360   1HB   CYS  49          1HB       CYS  49   6.758 -11.821   2.733
  361   2HB   CYS  49          2HB       CYS  49   5.354 -11.197   1.882
  362    H    GLY  50           H        GLY  50   5.584  -7.845   4.696
  363   1HA   GLY  50          1HA       GLY  50   7.204  -6.136   5.128
  364   2HA   GLY  50          2HA       GLY  50   7.535  -7.294   6.409
  365    H    THR  51           H        THR  51   8.380  -6.864   2.945
  366    HA   THR  51           HA       THR  51  10.998  -8.139   3.389
  367    HB   THR  51           HB       THR  51   9.437  -6.961   1.082
  368    HG1  THR  51           1HG      THR  51  10.491  -9.494   1.767
  369   1HG2  THR  51          1HG2      THR  51  12.149  -8.185   0.665
  370   2HG2  THR  51          2HG2      THR  51  12.015  -6.462   1.012
  371   3HG2  THR  51          3HG2      THR  51  11.225  -7.139  -0.409
  372    HA   PRO  52           HA       PRO  52  13.067  -4.349   4.238
  373   1HB   PRO  52          1HB       PRO  52  15.552  -4.900   3.216
  374   2HB   PRO  52          2HB       PRO  52  14.951  -5.586   4.740
  375   1HG   PRO  52          1HG       PRO  52  15.076  -6.800   2.014
  376   2HG   PRO  52          2HG       PRO  52  15.422  -7.532   3.589
  377   1HD   PRO  52          1HD       PRO  52  13.087  -7.908   2.230
  378   2HD   PRO  52          2HD       PRO  52  13.201  -7.964   4.003
  379    H    LEU  53           H        LEU  53  11.495  -3.565   2.341
  380    HA   LEU  53           HA       LEU  53  12.414  -3.225  -0.320
  381   1HB   LEU  53          1HB       LEU  53  10.564  -1.761   1.553
  382   2HB   LEU  53          2HB       LEU  53  10.849  -1.131  -0.067
  383    HG   LEU  53           HG       LEU  53  10.189  -3.383  -0.991
  384   1HD1  LEU  53          1HD1      LEU  53  10.704  -4.730   0.995
  385   2HD1  LEU  53          2HD1      LEU  53   9.011  -4.930   0.548
  386   3HD1  LEU  53          3HD1      LEU  53   9.446  -3.893   1.905
  387   1HD2  LEU  53          1HD2      LEU  53   7.874  -2.947  -0.850
  388   2HD2  LEU  53          2HD2      LEU  53   8.591  -1.373  -0.507
  389   3HD2  LEU  53          3HD2      LEU  53   7.990  -2.375   0.814
  390    H    ARG  54           H        ARG  54  14.158  -2.079  -1.056
  391    HA   ARG  54           HA       ARG  54  15.821  -0.481   0.672
  392   1HB   ARG  54          1HB       ARG  54  16.008  -1.795  -1.743
  393   2HB   ARG  54          2HB       ARG  54  16.060  -0.101  -2.236
  394   1HG   ARG  54          1HG       ARG  54  18.205   0.010  -1.562
  395   2HG   ARG  54          2HG       ARG  54  17.698  -0.375   0.083
  396   1HD   ARG  54          1HD       ARG  54  18.925  -2.285  -0.194
  397   2HD   ARG  54          2HD       ARG  54  17.580  -2.838  -1.213
  398    HE   ARG  54           HE       ARG  54  20.038  -1.451  -2.226
  399   1HH1  ARG  54          1HH1      ARG  54  17.297  -1.396  -3.725
  400   2HH1  ARG  54          2HH1      ARG  54  17.579  -2.636  -4.901
  401   1HH2  ARG  54          1HH2      ARG  54  20.373  -3.904  -3.283
  402   2HH2  ARG  54          2HH2      ARG  54  19.321  -4.055  -4.650
  403    H    LYS  55           H        LYS  55  12.860   0.321  -0.671
  404    HA   LYS  55           HA       LYS  55  12.938   3.048   0.039
  405   1HB   LYS  55          1HB       LYS  55  14.229   3.929  -1.595
  406   2HB   LYS  55          2HB       LYS  55  14.380   2.358  -2.362
  407   1HG   LYS  55          1HG       LYS  55  12.021   4.216  -2.786
  408   2HG   LYS  55          2HG       LYS  55  13.418   4.151  -3.846
  409   1HD   LYS  55          1HD       LYS  55  11.204   2.183  -3.517
  410   2HD   LYS  55          2HD       LYS  55  12.063   2.672  -4.970
  411   1HE   LYS  55          1HE       LYS  55  13.162   0.852  -2.801
  412   2HE   LYS  55          2HE       LYS  55  12.627   0.348  -4.411
  413   1HZ   LYS  55          1HZ       LYS  55  14.432   2.579  -4.480
  414   2HZ   LYS  55          2HZ       LYS  55  14.497   1.115  -5.334
  415   3HZ   LYS  55          3HZ       LYS  55  15.137   1.214  -3.765
  416    H    SER  56           H        SER  56  11.039   4.244  -1.225
  417    HA   SER  56           HA       SER  56   8.694   2.694  -0.882
  418   1HB   SER  56          1HB       SER  56   8.648   5.075  -0.725
  419   2HB   SER  56          2HB       SER  56   9.327   5.264  -2.339
  420    HG   SER  56           HG       SER  56   7.456   4.749  -3.242
  421    H    ASN  57           H        ASN  57   9.557   0.766  -2.318
  422    HA   ASN  57           HA       ASN  57   9.252   1.134  -5.244
  423   1HB   ASN  57          1HB       ASN  57   9.826  -1.337  -5.195
  424   2HB   ASN  57          2HB       ASN  57  10.992  -0.340  -4.326
  425   1HD2  ASN  57          1HD2      ASN  57   8.852  -2.999  -4.033
  426   2HD2  ASN  57          2HD2      ASN  57   8.937  -3.176  -2.349
  427    H    PHE  58           H        PHE  58   7.047   1.354  -5.840
  428    HA   PHE  58           HA       PHE  58   5.238  -0.918  -5.242
  429   1HB   PHE  58          1HB       PHE  58   4.643   1.936  -4.321
  430   2HB   PHE  58          2HB       PHE  58   3.520   0.603  -4.200
  431    HD1  PHE  58           1HD      PHE  58   3.767  -1.149  -2.583
  432    HD2  PHE  58           2HD      PHE  58   6.750   1.919  -2.930
  433    HE1  PHE  58           1HE      PHE  58   4.812  -1.928  -0.475
  434    HE2  PHE  58           2HE      PHE  58   7.799   1.130  -0.820
  435    HZ   PHE  58           HZ       PHE  58   6.828  -0.788   0.405
  436    H    ARG  59           H        ARG  59   4.919  -1.324  -7.423
  437    HA   ARG  59           HA       ARG  59   4.242   0.913  -9.260
  438   1HB   ARG  59          1HB       ARG  59   4.254  -1.041 -10.917
  439   2HB   ARG  59          2HB       ARG  59   5.780  -0.696 -10.110
  440   1HG   ARG  59          1HG       ARG  59   5.658  -2.597  -8.777
  441   2HG   ARG  59          2HG       ARG  59   3.897  -2.653  -8.844
  442   1HD   ARG  59          1HD       ARG  59   4.908  -4.481 -10.200
  443   2HD   ARG  59          2HD       ARG  59   4.032  -3.338 -11.238
  444    HE   ARG  59           HE       ARG  59   6.958  -3.659 -11.085
  445   1HH1  ARG  59          1HH2      ARG  59   4.812  -2.982 -13.348
  446   2HH1  ARG  59          2HH2      ARG  59   5.452  -1.457 -13.863
  447   1HH2  ARG  59          1HH1      ARG  59   7.566  -1.123 -11.137
  448   2HH2  ARG  59          2HH1      ARG  59   7.011  -0.405 -12.612
  449    H    VAL  60           H        VAL  60   2.198   1.525  -8.784
  450    HA   VAL  60           HA       VAL  60   0.061  -0.368  -8.160
  451    HB   VAL  60           HB       VAL  60   0.570   1.913  -7.175
  452   1HG1  VAL  60          1HG1      VAL  60   0.818   2.913  -9.538
  453   2HG1  VAL  60          2HG1      VAL  60  -0.107   3.858  -8.371
  454   3HG1  VAL  60          3HG1      VAL  60  -0.944   2.912  -9.599
  455   1HG2  VAL  60          1HG2      VAL  60  -2.095   0.920  -8.125
  456   2HG2  VAL  60          2HG2      VAL  60  -2.023   2.518  -7.383
  457   3HG2  VAL  60          3HG2      VAL  60  -1.490   1.101  -6.478
  458    H    GLN  61           H        GLN  61  -1.118  -1.361  -9.574
  459    HA   GLN  61           HA       GLN  61  -2.184  -0.020 -11.975
  460   1HB   GLN  61          1HB       GLN  61  -1.242  -1.667 -13.485
  461   2HB   GLN  61          2HB       GLN  61   0.089  -1.031 -12.517
  462   1HG   GLN  61          1HG       GLN  61  -0.965  -3.169 -11.022
  463   2HG   GLN  61          2HG       GLN  61  -0.917  -3.747 -12.689
  464   1HE2  GLN  61          1HE2      GLN  61   0.864  -4.849 -10.774
  465   2HE2  GLN  61          2HE2      GLN  61   2.445  -4.341 -11.131
  466    H    LEU  62           H        LEU  62  -3.738  -1.784 -13.070
  467    HA   LEU  62           HA       LEU  62  -4.655  -3.899 -11.239
  468   1HB   LEU  62          1HB       LEU  62  -5.592  -1.289 -10.919
  469   2HB   LEU  62          2HB       LEU  62  -6.874  -2.092 -11.821
  470    HG   LEU  62           HG       LEU  62  -6.502  -4.013 -10.050
  471   1HD1  LEU  62          1HD1      LEU  62  -5.278  -1.564  -8.765
  472   2HD1  LEU  62          2HD1      LEU  62  -4.599  -3.187  -8.880
  473   3HD1  LEU  62          3HD1      LEU  62  -5.962  -2.874  -7.805
  474   1HD2  LEU  62          1HD2      LEU  62  -8.208  -1.715 -10.225
  475   2HD2  LEU  62          2HD2      LEU  62  -7.849  -2.011  -8.523
  476   3HD2  LEU  62          3HD2      LEU  62  -8.565  -3.287  -9.508
  477    H    PHE  63           H        PHE  63  -3.999  -4.892 -13.410
  478    HA   PHE  63           HA       PHE  63  -6.389  -4.967 -15.209
  479   1HB   PHE  63          1HB       PHE  63  -4.181  -3.568 -15.839
  480   2HB   PHE  63          2HB       PHE  63  -3.644  -5.160 -16.373
  481    HD1  PHE  63           1HD      PHE  63  -5.432  -6.523 -17.788
  482    HD2  PHE  63           2HD      PHE  63  -5.423  -2.253 -17.314
  483    HE1  PHE  63           1HE      PHE  63  -6.796  -6.292 -19.845
  484    HE2  PHE  63           2HE      PHE  63  -6.788  -2.023 -19.372
  485    HZ   PHE  63           HZ       PHE  63  -7.474  -4.042 -20.638
  486    H    GLU  64           H        GLU  64  -5.853  -6.867 -13.205
  487    HA   GLU  64           HA       GLU  64  -4.251  -9.064 -13.636
  488   1HB   GLU  64          1HB       GLU  64  -6.621  -8.422 -12.255
  489   2HB   GLU  64          2HB       GLU  64  -6.988  -9.900 -13.146
  490   1HG   GLU  64          1HG       GLU  64  -4.359 -10.152 -12.046
  491   2HG   GLU  64          2HG       GLU  64  -5.441  -9.616 -10.760
  492    H    ASP  65           H        ASP  65  -4.251 -10.865 -15.027
  493    HA   ASP  65           HA       ASP  65  -6.277 -10.873 -17.237
  494   1HB   ASP  65          1HB       ASP  65  -4.301 -11.458 -18.718
  495   2HB   ASP  65          2HB       ASP  65  -4.259  -9.823 -18.058
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  -5.548  -5.281  -8.135
    2   2H    MET   1          2HT       MET   1  -6.505  -4.567  -9.343
    3   3H    MET   1          3HT       MET   1  -5.702  -6.034  -9.647
    4    HA   MET   1           HA       MET   1  -8.107  -6.344  -9.220
    5   1HB   MET   1          1HB       MET   1  -5.851  -7.466  -7.586
    6   2HB   MET   1          2HB       MET   1  -7.494  -8.023  -7.266
    7   1HG   MET   1          1HG       MET   1  -7.571  -8.279  -9.902
    8   2HG   MET   1          2HG       MET   1  -5.817  -8.358  -9.731
    9   1HE   MET   1          1HE       MET   1  -4.944 -11.210  -7.689
   10   2HE   MET   1          2HE       MET   1  -5.729 -10.069  -6.599
   11   3HE   MET   1          3HE       MET   1  -4.747  -9.469  -7.933
   12    H    ASP   2           H        ASP   2  -9.173  -7.050  -6.810
   13    HA   ASP   2           HA       ASP   2  -8.913  -4.745  -4.946
   14   1HB   ASP   2          1HB       ASP   2 -11.478  -4.544  -5.132
   15   2HB   ASP   2          2HB       ASP   2 -10.537  -3.939  -6.496
   16    H    ASP   3           H        ASP   3 -11.888  -6.336  -4.616
   17    HA   ASP   3           HA       ASP   3 -12.637  -7.733  -2.850
   18   1HB   ASP   3          1HB       ASP   3 -10.404  -9.182  -4.285
   19   2HB   ASP   3          2HB       ASP   3 -11.402  -9.980  -3.068
   20    H    GLN   4           H        GLN   4  -9.448  -9.102  -2.502
   21    HA   GLN   4           HA       GLN   4  -9.327  -8.042   0.277
   22   1HB   GLN   4          1HB       GLN   4  -9.144 -10.510  -0.406
   23   2HB   GLN   4          2HB       GLN   4  -7.565 -10.102  -1.076
   24   1HG   GLN   4          1HG       GLN   4  -7.064  -9.077   1.245
   25   2HG   GLN   4          2HG       GLN   4  -8.475  -9.978   1.801
   26   1HE2  GLN   4          1HE2      GLN   4  -5.662 -10.702  -0.363
   27   2HE2  GLN   4          2HE2      GLN   4  -5.304 -12.192   0.367
   28    H    GLY   5           H        GLY   5  -8.677  -6.381  -2.122
   29   1HA   GLY   5          1HA       GLY   5  -5.831  -6.148  -2.405
   30   2HA   GLY   5          2HA       GLY   5  -7.002  -4.904  -2.843
   31    H    CYS   6           H        CYS   6  -5.318  -3.447  -1.945
   32    HA   CYS   6           HA       CYS   6  -4.167  -2.367  -0.161
   33   1HB   CYS   6          1HB       CYS   6  -6.155  -1.081  -0.581
   34   2HB   CYS   6          2HB       CYS   6  -7.147  -2.193   0.332
   35    HA   PRO   7           HA       PRO   7  -4.308  -5.532   3.096
   36   1HB   PRO   7          1HB       PRO   7  -1.602  -5.904   3.216
   37   2HB   PRO   7          2HB       PRO   7  -2.647  -6.754   2.061
   38   1HG   PRO   7          1HG       PRO   7  -0.755  -4.536   1.630
   39   2HG   PRO   7          2HG       PRO   7  -1.342  -5.758   0.497
   40   1HD   PRO   7          1HD       PRO   7  -2.196  -3.064   0.728
   41   2HD   PRO   7          2HD       PRO   7  -2.889  -4.328  -0.305
   42    H    ARG   8           H        ARG   8  -3.461  -2.350   2.883
   43    HA   ARG   8           HA       ARG   8  -2.415  -2.267   5.698
   44   1HB   ARG   8          1HB       ARG   8  -1.042  -1.501   3.577
   45   2HB   ARG   8          2HB       ARG   8  -2.044  -0.054   3.698
   46   1HG   ARG   8          1HG       ARG   8  -0.890   0.690   5.491
   47   2HG   ARG   8          2HG       ARG   8  -1.006  -0.875   6.297
   48   1HD   ARG   8          1HD       ARG   8   0.944  -1.701   5.163
   49   2HD   ARG   8          2HD       ARG   8   0.941  -0.334   4.030
   50    HE   ARG   8           HE       ARG   8   1.856   1.029   5.767
   51   1HH1  ARG   8          1HH2      ARG   8   2.475  -2.048   6.591
   52   2HH1  ARG   8          2HH2      ARG   8   2.396  -1.849   8.310
   53   1HH2  ARG   8          1HH1      ARG   8   0.997   1.321   8.143
   54   2HH2  ARG   8          2HH1      ARG   8   1.560   0.058   9.188
   55    H    CYS   9           H        CYS   9  -4.088  -0.097   3.370
   56    HA   CYS   9           HA       CYS   9  -5.679   0.953   5.685
   57   1HB   CYS   9          1HB       CYS   9  -6.262   2.488   3.401
   58   2HB   CYS   9          2HB       CYS   9  -5.211   2.936   4.730
   59    H    LYS  10           H        LYS  10  -6.460  -1.602   4.637
   60    HA   LYS  10           HA       LYS  10  -8.209  -2.149   2.761
   61   1HB   LYS  10          1HB       LYS  10  -9.076  -3.694   4.202
   62   2HB   LYS  10          2HB       LYS  10  -7.808  -3.085   5.255
   63   1HG   LYS  10          1HG       LYS  10  -9.529  -1.418   6.138
   64   2HG   LYS  10          2HG       LYS  10 -10.742  -2.371   5.282
   65   1HD   LYS  10          1HD       LYS  10 -10.746  -3.338   7.425
   66   2HD   LYS  10          2HD       LYS  10  -9.659  -4.399   6.529
   67   1HE   LYS  10          1HE       LYS  10  -7.905  -2.488   7.417
   68   2HE   LYS  10          2HE       LYS  10  -9.066  -2.547   8.758
   69   1HZ   LYS  10          1HZ       LYS  10  -7.338  -4.657   7.675
   70   2HZ   LYS  10          2HZ       LYS  10  -8.870  -5.117   8.247
   71   3HZ   LYS  10          3HZ       LYS  10  -7.771  -4.342   9.285
   72    H    THR  11           H        THR  11  -8.922  -0.233   1.748
   73    HA   THR  11           HA       THR  11 -11.643   0.524   2.080
   74    HB   THR  11           HB       THR  11 -10.516   1.510   4.196
   75    HG1  THR  11           1HG      THR  11 -11.543   3.654   3.635
   76   1HG2  THR  11          1HG2      THR  11  -8.718   2.413   2.292
   77   2HG2  THR  11          2HG2      THR  11  -8.818   2.976   3.963
   78   3HG2  THR  11          3HG2      THR  11  -9.660   3.852   2.683
   79    H    THR  12           H        THR  12  -9.849  -0.119  -0.047
   80    HA   THR  12           HA       THR  12  -9.551   2.526  -1.409
   81    HB   THR  12           HB       THR  12  -7.560   1.469  -2.425
   82    HG1  THR  12           1HG      THR  12  -8.752  -0.731  -1.593
   83   1HG2  THR  12          1HG2      THR  12  -6.667   2.464  -0.633
   84   2HG2  THR  12          2HG2      THR  12  -6.754   0.906   0.191
   85   3HG2  THR  12          3HG2      THR  12  -8.073   2.068   0.349
   86    H    LYS  13           H        LYS  13  -8.595   0.330  -3.611
   87    HA   LYS  13           HA       LYS  13 -10.536   0.726  -5.498
   88   1HB   LYS  13          1HB       LYS  13  -9.424  -0.963  -6.627
   89   2HB   LYS  13          2HB       LYS  13  -8.280  -0.653  -5.340
   90   1HG   LYS  13          1HG       LYS  13 -10.435  -2.724  -4.976
   91   2HG   LYS  13          2HG       LYS  13  -8.934  -3.112  -5.813
   92   1HD   LYS  13          1HD       LYS  13  -7.650  -2.863  -3.915
   93   2HD   LYS  13          2HD       LYS  13  -8.734  -1.663  -3.211
   94   1HE   LYS  13          1HE       LYS  13 -10.388  -3.820  -3.228
   95   2HE   LYS  13          2HE       LYS  13  -8.824  -4.630  -3.021
   96   1HZ   LYS  13          1HZ       LYS  13  -8.326  -2.957  -1.273
   97   2HZ   LYS  13          2HZ       LYS  13  -9.636  -3.964  -0.874
   98   3HZ   LYS  13          3HZ       LYS  13  -9.914  -2.376  -1.409
   99    H    TYR  14           H        TYR  14 -10.810  -1.292  -2.644
  100    HA   TYR  14           HA       TYR  14 -13.275  -2.597  -3.510
  101   1HB   TYR  14          1HB       TYR  14 -11.478  -3.366  -1.793
  102   2HB   TYR  14          2HB       TYR  14 -12.306  -2.286  -0.679
  103    HD1  TYR  14           1HD      TYR  14 -12.213  -5.568  -1.968
  104    HD2  TYR  14           2HD      TYR  14 -14.961  -2.542  -0.655
  105    HE1  TYR  14           1HE      TYR  14 -13.946  -7.302  -1.594
  106    HE2  TYR  14           2HE      TYR  14 -16.694  -4.274  -0.283
  107    HH   TYR  14           HH       TYR  14 -16.194  -7.317   0.113
  108    H    ARG  15           H        ARG  15 -12.380   0.017  -1.290
  109    HA   ARG  15           HA       ARG  15 -15.204   0.891  -1.007
  110   1HB   ARG  15          1HB       ARG  15 -12.518   1.557   0.192
  111   2HB   ARG  15          2HB       ARG  15 -13.870   2.660   0.417
  112   1HG   ARG  15          1HG       ARG  15 -13.549   0.933   2.259
  113   2HG   ARG  15          2HG       ARG  15 -15.159   0.987   1.548
  114   1HD   ARG  15          1HD       ARG  15 -14.498  -1.345   1.714
  115   2HD   ARG  15          2HD       ARG  15 -14.421  -0.900   0.007
  116    HE   ARG  15           HE       ARG  15 -11.969  -0.696   0.252
  117   1HH1  ARG  15          1HH2      ARG  15 -13.297  -1.097   3.333
  118   2HH1  ARG  15          2HH2      ARG  15 -12.124  -2.254   3.870
  119   1HH2  ARG  15          1HH1      ARG  15 -10.634  -2.587   0.757
  120   2HH2  ARG  15          2HH1      ARG  15 -10.618  -3.097   2.411
  121    H    ASN  16           H        ASN  16 -12.117   2.490  -1.665
  122    HA   ASN  16           HA       ASN  16 -13.208   4.716  -3.158
  123   1HB   ASN  16          1HB       ASN  16 -10.739   3.690  -2.063
  124   2HB   ASN  16          2HB       ASN  16 -10.445   4.301  -3.680
  125   1HD2  ASN  16          1HD2      ASN  16  -9.170   5.870  -2.084
  126   2HD2  ASN  16          2HD2      ASN  16 -10.018   7.264  -1.614
  127    HA   PRO  17           HA       PRO  17 -13.473   2.234  -6.903
  128   1HB   PRO  17          1HB       PRO  17 -14.679   4.179  -8.415
  129   2HB   PRO  17          2HB       PRO  17 -15.563   3.157  -7.265
  130   1HG   PRO  17          1HG       PRO  17 -14.593   5.962  -6.980
  131   2HG   PRO  17          2HG       PRO  17 -16.094   5.223  -6.403
  132   1HD   PRO  17          1HD       PRO  17 -13.901   5.722  -4.823
  133   2HD   PRO  17          2HD       PRO  17 -15.111   4.466  -4.480
  134    H    SER  18           H        SER  18 -12.764   5.739  -7.310
  135    HA   SER  18           HA       SER  18 -10.968   5.332  -9.533
  136   1HB   SER  18          1HB       SER  18 -12.143   7.429  -9.123
  137   2HB   SER  18          2HB       SER  18 -11.370   7.593  -7.548
  138    HG   SER  18           HG       SER  18 -10.462   8.413  -9.888
  139    H    LEU  19           H        LEU  19  -9.993   3.460  -7.908
  140    HA   LEU  19           HA       LEU  19  -7.486   4.647  -6.771
  141   1HB   LEU  19          1HB       LEU  19  -9.399   3.882  -5.180
  142   2HB   LEU  19          2HB       LEU  19  -8.922   2.248  -5.641
  143    HG   LEU  19           HG       LEU  19  -6.742   4.102  -4.830
  144   1HD1  LEU  19          1HD1      LEU  19  -8.101   4.705  -3.045
  145   2HD1  LEU  19          2HD1      LEU  19  -7.314   3.270  -2.398
  146   3HD1  LEU  19          3HD1      LEU  19  -8.952   3.162  -3.040
  147   1HD2  LEU  19          1HD2      LEU  19  -5.959   1.968  -5.312
  148   2HD2  LEU  19          2HD2      LEU  19  -7.403   1.183  -4.684
  149   3HD2  LEU  19          3HD2      LEU  19  -6.207   1.851  -3.573
  150    H    LYS  20           H        LYS  20  -5.675   3.106  -6.772
  151    HA   LYS  20           HA       LYS  20  -6.046   0.715  -8.517
  152   1HB   LYS  20          1HB       LYS  20  -3.801   1.516  -9.581
  153   2HB   LYS  20          2HB       LYS  20  -5.282   2.342 -10.064
  154   1HG   LYS  20          1HG       LYS  20  -3.928   3.436  -7.662
  155   2HG   LYS  20          2HG       LYS  20  -3.062   3.642  -9.185
  156   1HD   LYS  20          1HD       LYS  20  -5.968   4.229  -9.273
  157   2HD   LYS  20          2HD       LYS  20  -4.996   5.346  -8.314
  158   1HE   LYS  20          1HE       LYS  20  -3.537   4.860 -10.707
  159   2HE   LYS  20          2HE       LYS  20  -5.217   5.184 -11.183
  160   1HZ   LYS  20          1HZ       LYS  20  -4.027   6.798  -9.040
  161   2HZ   LYS  20          2HZ       LYS  20  -5.187   7.235 -10.202
  162   3HZ   LYS  20          3HZ       LYS  20  -3.545   7.134 -10.630
  163    H    LEU  21           H        LEU  21  -4.199  -0.814  -8.285
  164    HA   LEU  21           HA       LEU  21  -2.936  -0.531  -5.582
  165   1HB   LEU  21          1HB       LEU  21  -4.097  -2.796  -7.176
  166   2HB   LEU  21          2HB       LEU  21  -2.894  -3.139  -5.933
  167    HG   LEU  21           HG       LEU  21  -4.263  -2.169  -4.220
  168   1HD1  LEU  21          1HD1      LEU  21  -5.829  -1.075  -6.553
  169   2HD1  LEU  21          2HD1      LEU  21  -5.175  -0.208  -5.166
  170   3HD1  LEU  21          3HD1      LEU  21  -6.582  -1.247  -4.969
  171   1HD2  LEU  21          1HD2      LEU  21  -5.159  -4.309  -5.851
  172   2HD2  LEU  21          2HD2      LEU  21  -6.587  -3.365  -5.428
  173   3HD2  LEU  21          3HD2      LEU  21  -5.550  -4.014  -4.158
  174    H    MET  22           H        MET  22  -0.731  -0.554  -5.495
  175    HA   MET  22           HA       MET  22   0.744  -1.093  -8.010
  176   1HB   MET  22          1HB       MET  22   2.231  -0.010  -5.735
  177   2HB   MET  22          2HB       MET  22   2.105   0.624  -7.351
  178   1HG   MET  22          1HG       MET  22  -0.054   1.660  -6.791
  179   2HG   MET  22          2HG       MET  22   0.032   0.985  -5.177
  180   1HE   MET  22          1HE       MET  22   2.932   2.577  -7.388
  181   2HE   MET  22          2HE       MET  22   3.475   1.507  -6.098
  182   3HE   MET  22          3HE       MET  22   3.849   3.226  -6.023
  183    H    VAL  23           H        VAL  23   2.609  -2.529  -7.920
  184    HA   VAL  23           HA       VAL  23   2.788  -4.226  -5.450
  185    HB   VAL  23           HB       VAL  23   2.335  -5.008  -8.334
  186   1HG1  VAL  23          1HG1      VAL  23   2.739  -7.356  -7.617
  187   2HG1  VAL  23          2HG1      VAL  23   3.292  -6.762  -6.052
  188   3HG1  VAL  23          3HG1      VAL  23   4.199  -6.371  -7.513
  189   1HG2  VAL  23          1HG2      VAL  23   0.959  -6.368  -6.103
  190   2HG2  VAL  23          2HG2      VAL  23   0.297  -5.717  -7.602
  191   3HG2  VAL  23          3HG2      VAL  23   0.606  -4.645  -6.235
  192    H    ASN  24           H        ASN  24   4.867  -5.594  -5.497
  193    HA   ASN  24           HA       ASN  24   6.991  -4.869  -7.354
  194   1HB   ASN  24          1HB       ASN  24   6.381  -3.145  -5.163
  195   2HB   ASN  24          2HB       ASN  24   7.949  -3.888  -4.862
  196   1HD2  ASN  24          1HD2      ASN  24   6.121  -2.204  -7.405
  197   2HD2  ASN  24          2HD2      ASN  24   7.460  -1.449  -8.117
  198    H    VAL  25           H        VAL  25   9.173  -5.546  -6.435
  199    HA   VAL  25           HA       VAL  25  10.393  -7.513  -5.860
  200    HB   VAL  25           HB       VAL  25  10.601  -5.735  -4.202
  201   1HG1  VAL  25          1HG1      VAL  25   8.052  -6.920  -3.184
  202   2HG1  VAL  25          2HG1      VAL  25   8.517  -5.232  -3.356
  203   3HG1  VAL  25          3HG1      VAL  25   9.165  -6.192  -2.028
  204   1HG2  VAL  25          1HG2      VAL  25  10.490  -7.909  -2.280
  205   2HG2  VAL  25          2HG2      VAL  25  11.888  -7.066  -2.941
  206   3HG2  VAL  25          3HG2      VAL  25  11.191  -8.433  -3.810
  207    H    CYS  26           H        CYS  26   8.892  -8.501  -2.997
  208    HA   CYS  26           HA       CYS  26   8.351 -11.100  -3.713
  209   1HB   CYS  26          1HB       CYS  26   6.545 -10.926  -1.874
  210   2HB   CYS  26          2HB       CYS  26   8.182 -10.454  -1.435
  211    H    GLY  27           H        GLY  27   6.465  -8.290  -4.608
  212   1HA   GLY  27          1HA       GLY  27   4.771  -8.142  -6.242
  213   2HA   GLY  27          2HA       GLY  27   4.934  -9.881  -6.507
  214    H    HIS  28           H        HIS  28   4.022  -7.840  -3.709
  215    HA   HIS  28           HA       HIS  28   1.876  -9.775  -3.065
  216   1HB   HIS  28          1HB       HIS  28   3.600  -7.870  -1.698
  217   2HB   HIS  28          2HB       HIS  28   1.915  -7.667  -1.213
  218    HD2  HIS  28           2HD      HIS  28   0.866 -10.696  -1.108
  219    HE1  HIS  28           1HE      HIS  28   4.334 -11.663   1.080
  220    HE2  HIS  28           2HE      HIS  28   2.014 -12.448   0.439
  221    H    THR  29           H        THR  29   1.626  -6.332  -2.424
  222    HA   THR  29           HA       THR  29  -0.051  -5.524  -4.566
  223    HB   THR  29           HB       THR  29  -1.290  -7.131  -2.365
  224    HG1  THR  29           1HG      THR  29  -1.833  -6.637  -5.101
  225   1HG2  THR  29          1HG2      THR  29  -2.297  -4.496  -3.244
  226   2HG2  THR  29          2HG2      THR  29  -2.685  -5.425  -1.795
  227   3HG2  THR  29          3HG2      THR  29  -3.481  -5.802  -3.323
  228    H    LEU  30           H        LEU  30  -0.655  -3.336  -4.250
  229    HA   LEU  30           HA       LEU  30  -0.392  -2.168  -1.529
  230   1HB   LEU  30          1HB       LEU  30   1.716  -2.283  -3.316
  231   2HB   LEU  30          2HB       LEU  30   1.085  -0.666  -3.558
  232    HG   LEU  30           HG       LEU  30   1.043  -0.578  -0.981
  233   1HD1  LEU  30          1HD1      LEU  30   1.487  -2.941  -0.584
  234   2HD1  LEU  30          2HD1      LEU  30   2.857  -2.005   0.019
  235   3HD1  LEU  30          3HD1      LEU  30   2.973  -2.851  -1.525
  236   1HD2  LEU  30          1HD2      LEU  30   3.838  -0.502  -1.408
  237   2HD2  LEU  30          2HD2      LEU  30   2.703   0.845  -1.432
  238   3HD2  LEU  30          3HD2      LEU  30   3.075  -0.023  -2.923
  239    H    CYS  31           H        CYS  31  -2.628  -1.533  -1.769
  240    HA   CYS  31           HA       CYS  31  -3.782  -0.281  -3.999
  241   1HB   CYS  31          1HB       CYS  31  -5.471  -0.009  -2.505
  242   2HB   CYS  31          2HB       CYS  31  -4.450  -0.949  -1.454
  243    H    GLU  32           H        GLU  32  -4.165   2.158  -4.293
  244    HA   GLU  32           HA       GLU  32  -1.657   3.565  -4.297
  245   1HB   GLU  32          1HB       GLU  32  -2.920   4.992  -5.542
  246   2HB   GLU  32          2HB       GLU  32  -4.289   3.931  -5.240
  247   1HG   GLU  32          1HG       GLU  32  -3.520   6.106  -3.287
  248   2HG   GLU  32          2HG       GLU  32  -4.584   6.422  -4.656
  249    H    SER  33           H        SER  33  -4.325   3.421  -2.001
  250    HA   SER  33           HA       SER  33  -3.373   5.413  -0.172
  251   1HB   SER  33          1HB       SER  33  -5.092   3.026   0.600
  252   2HB   SER  33          2HB       SER  33  -5.177   4.696   1.163
  253    HG   SER  33           HG       SER  33  -6.530   5.052  -0.361
  254    H    CYS  34           H        CYS  34  -2.166   2.218  -0.814
  255    HA   CYS  34           HA       CYS  34  -1.146   1.841   1.938
  256   1HB   CYS  34          1HB       CYS  34  -1.002   0.308  -0.674
  257   2HB   CYS  34          2HB       CYS  34   0.134  -0.048   0.626
  258    H    VAL  35           H        VAL  35   0.389   2.105  -1.287
  259    HA   VAL  35           HA       VAL  35   3.021   2.597  -0.527
  260    HB   VAL  35           HB       VAL  35   1.241   3.066  -2.794
  261   1HG1  VAL  35          1HG1      VAL  35   3.292   5.166  -2.133
  262   2HG1  VAL  35          2HG1      VAL  35   1.639   5.376  -2.717
  263   3HG1  VAL  35          3HG1      VAL  35   2.893   4.791  -3.811
  264   1HG2  VAL  35          1HG2      VAL  35   3.866   1.996  -2.224
  265   2HG2  VAL  35          2HG2      VAL  35   3.900   3.003  -3.667
  266   3HG2  VAL  35          3HG2      VAL  35   2.782   1.644  -3.566
  267    H    ASP  36           H        ASP  36   0.214   4.689  -0.190
  268    HA   ASP  36           HA       ASP  36   1.743   7.126   0.332
  269   1HB   ASP  36          1HB       ASP  36  -0.311   8.071   0.078
  270   2HB   ASP  36          2HB       ASP  36  -0.818   6.468  -0.442
  271    H    LEU  37           H        LEU  37  -0.042   4.803   2.403
  272    HA   LEU  37           HA       LEU  37   0.815   6.237   4.836
  273   1HB   LEU  37          1HB       LEU  37  -1.316   4.638   4.054
  274   2HB   LEU  37          2HB       LEU  37  -0.384   3.586   5.121
  275    HG   LEU  37           HG       LEU  37  -2.006   4.857   6.439
  276   1HD1  LEU  37          1HD1      LEU  37   0.715   6.107   6.868
  277   2HD1  LEU  37          2HD1      LEU  37   0.364   4.431   7.288
  278   3HD1  LEU  37          3HD1      LEU  37  -0.509   5.741   8.083
  279   1HD2  LEU  37          1HD2      LEU  37  -2.557   6.836   5.418
  280   2HD2  LEU  37          2HD2      LEU  37  -0.930   7.077   4.781
  281   3HD2  LEU  37          3HD2      LEU  37  -1.285   7.469   6.463
  282    H    LEU  38           H        LEU  38   1.775   3.536   2.925
  283    HA   LEU  38           HA       LEU  38   3.220   1.939   4.778
  284   1HB   LEU  38          1HB       LEU  38   2.441   1.635   2.310
  285   2HB   LEU  38          2HB       LEU  38   3.961   2.417   1.891
  286    HG   LEU  38           HG       LEU  38   4.509   0.136   1.839
  287   1HD1  LEU  38          1HD1      LEU  38   5.976   1.528   3.393
  288   2HD1  LEU  38          2HD1      LEU  38   6.025  -0.212   3.670
  289   3HD1  LEU  38          3HD1      LEU  38   5.078   0.826   4.737
  290   1HD2  LEU  38          1HD2      LEU  38   2.978  -0.218   4.437
  291   2HD2  LEU  38          2HD2      LEU  38   3.715  -1.496   3.469
  292   3HD2  LEU  38          3HD2      LEU  38   2.339  -0.593   2.836
  293    H    PHE  39           H        PHE  39   4.395   4.476   2.570
  294    HA   PHE  39           HA       PHE  39   7.109   4.377   3.688
  295   1HB   PHE  39          1HB       PHE  39   5.877   6.325   1.760
  296   2HB   PHE  39          2HB       PHE  39   7.570   5.800   1.826
  297    HD1  PHE  39           1HD      PHE  39   5.540   5.612  -0.578
  298    HD2  PHE  39           2HD      PHE  39   6.843   2.850   2.437
  299    HE1  PHE  39           1HE      PHE  39   4.943   3.710  -2.050
  300    HE2  PHE  39           2HE      PHE  39   6.248   0.953   0.970
  301    HZ   PHE  39           HZ       PHE  39   5.283   1.387  -1.252
  302    H    VAL  40           H        VAL  40   4.518   6.806   3.445
  303    HA   VAL  40           HA       VAL  40   5.692   9.048   4.496
  304    HB   VAL  40           HB       VAL  40   3.427   9.408   5.612
  305   1HG1  VAL  40          1HG1      VAL  40   3.596   8.449   2.748
  306   2HG1  VAL  40          2HG1      VAL  40   3.777  10.106   3.327
  307   3HG1  VAL  40          3HG1      VAL  40   2.207   9.306   3.418
  308   1HG2  VAL  40          1HG2      VAL  40   1.737   7.687   5.193
  309   2HG2  VAL  40          2HG2      VAL  40   3.037   7.025   6.175
  310   3HG2  VAL  40          3HG2      VAL  40   2.957   6.645   4.464
  311    H    ARG  41           H        ARG  41   4.858   6.108   6.328
  312    HA   ARG  41           HA       ARG  41   6.567   7.139   8.539
  313   1HB   ARG  41          1HB       ARG  41   3.796   6.106   9.119
  314   2HB   ARG  41          2HB       ARG  41   4.826   7.122  10.127
  315   1HG   ARG  41          1HG       ARG  41   4.561   8.981   8.523
  316   2HG   ARG  41          2HG       ARG  41   3.556   7.965   7.496
  317   1HD   ARG  41          1HD       ARG  41   1.737   8.094   8.942
  318   2HD   ARG  41          2HD       ARG  41   2.763   8.262  10.380
  319    HE   ARG  41           HE       ARG  41   1.743  10.445   8.815
  320   1HH1  ARG  41          1HH1      ARG  41   2.789  10.829  11.558
  321   2HH1  ARG  41          2HH1      ARG  41   4.253  11.715  11.290
  322   1HH2  ARG  41          1HH2      ARG  41   4.425  10.927   7.918
  323   2HH2  ARG  41          2HH2      ARG  41   5.179  11.771   9.229
  324    H    GLY  42           H        GLY  42   6.165   4.662   6.529
  325   1HA   GLY  42          1HA       GLY  42   7.140   2.721   8.539
  326   2HA   GLY  42          2HA       GLY  42   5.675   2.266   7.674
  327    H    ALA  43           H        ALA  43   7.748   4.124   5.700
  328    HA   ALA  43           HA       ALA  43   8.134   2.199   3.711
  329   1HB   ALA  43          1HB       ALA  43  10.453   3.903   3.956
  330   2HB   ALA  43          2HB       ALA  43   9.002   4.817   4.368
  331   3HB   ALA  43          3HB       ALA  43   9.125   4.014   2.802
  332    H    GLY  44           H        GLY  44   9.453   0.394   3.525
  333   1HA   GLY  44          1HA       GLY  44  11.886  -0.315   4.006
  334   2HA   GLY  44          2HA       GLY  44  11.470  -0.009   5.689
  335    H    ASN  45           H        ASN  45   8.641  -1.190   4.696
  336    HA   ASN  45           HA       ASN  45   9.413  -4.045   4.516
  337   1HB   ASN  45          1HB       ASN  45   8.781  -2.647   6.972
  338   2HB   ASN  45          2HB       ASN  45   7.618  -3.940   6.683
  339   1HD2  ASN  45          1HD2      ASN  45  10.979  -4.085   5.513
  340   2HD2  ASN  45          2HD2      ASN  45  11.459  -5.346   6.543
  341    H    CYS  46           H        CYS  46   7.970  -5.072   3.257
  342    HA   CYS  46           HA       CYS  46   5.764  -4.102   1.899
  343   1HB   CYS  46          1HB       CYS  46   7.027  -6.371   1.926
  344   2HB   CYS  46          2HB       CYS  46   5.866  -6.849   3.154
  345    HA   PRO  47           HA       PRO  47   2.691  -3.372   5.023
  346   1HB   PRO  47          1HB       PRO  47   0.462  -3.533   3.424
  347   2HB   PRO  47          2HB       PRO  47   1.547  -2.149   3.452
  348   1HG   PRO  47          1HG       PRO  47   1.426  -4.419   1.536
  349   2HG   PRO  47          2HG       PRO  47   1.610  -2.686   1.231
  350   1HD   PRO  47          1HD       PRO  47   3.700  -4.418   1.196
  351   2HD   PRO  47          2HD       PRO  47   3.873  -2.721   1.704
  352    H    GLU  48           H        GLU  48   3.153  -6.246   3.329
  353    HA   GLU  48           HA       GLU  48   1.176  -7.649   5.080
  354   1HB   GLU  48          1HB       GLU  48   1.578  -9.201   2.780
  355   2HB   GLU  48          2HB       GLU  48   0.145  -8.273   3.174
  356   1HG   GLU  48          1HG       GLU  48   1.320  -6.274   2.090
  357   2HG   GLU  48          2HG       GLU  48   2.504  -7.431   1.477
  358    H    CYS  49           H        CYS  49   4.275  -8.004   3.281
  359    HA   CYS  49           HA       CYS  49   4.958 -10.167   5.244
  360   1HB   CYS  49          1HB       CYS  49   5.875 -11.406   3.503
  361   2HB   CYS  49          2HB       CYS  49   4.546 -10.592   2.693
  362    H    GLY  50           H        GLY  50   5.471  -7.144   5.176
  363   1HA   GLY  50          1HA       GLY  50   7.289  -5.650   5.450
  364   2HA   GLY  50          2HA       GLY  50   7.740  -6.873   6.630
  365    H    THR  51           H        THR  51   7.737  -7.600   3.178
  366    HA   THR  51           HA       THR  51  10.287  -8.711   3.067
  367    HB   THR  51           HB       THR  51   8.343  -7.480   1.211
  368    HG1  THR  51           1HG      THR  51  10.007  -9.769   1.203
  369   1HG2  THR  51          1HG2      THR  51  10.507  -6.328   0.570
  370   2HG2  THR  51          2HG2      THR  51   9.788  -7.322  -0.695
  371   3HG2  THR  51          3HG2      THR  51  11.168  -7.927   0.221
  372    HA   PRO  52           HA       PRO  52  13.075  -5.410   3.774
  373   1HB   PRO  52          1HB       PRO  52  15.221  -6.261   2.290
  374   2HB   PRO  52          2HB       PRO  52  14.761  -6.975   3.849
  375   1HG   PRO  52          1HG       PRO  52  14.201  -7.926   1.071
  376   2HG   PRO  52          2HG       PRO  52  14.689  -8.852   2.499
  377   1HD   PRO  52          1HD       PRO  52  12.124  -8.739   1.606
  378   2HD   PRO  52          2HD       PRO  52  12.538  -8.933   3.324
  379    H    LEU  53           H        LEU  53  11.359  -4.234   2.197
  380    HA   LEU  53           HA       LEU  53  12.110  -3.699  -0.524
  381   1HB   LEU  53          1HB       LEU  53  10.585  -2.016   1.498
  382   2HB   LEU  53          2HB       LEU  53  10.497  -1.853  -0.257
  383    HG   LEU  53           HG       LEU  53   9.971  -4.558   0.884
  384   1HD1  LEU  53          1HD1      LEU  53   8.709  -3.132   2.420
  385   2HD1  LEU  53          2HD1      LEU  53   7.596  -3.938   1.314
  386   3HD1  LEU  53          3HD1      LEU  53   8.015  -2.245   1.063
  387   1HD2  LEU  53          1HD2      LEU  53   8.275  -4.526  -0.944
  388   2HD2  LEU  53          2HD2      LEU  53   9.901  -4.176  -1.527
  389   3HD2  LEU  53          3HD2      LEU  53   8.740  -2.865  -1.313
  390    H    ARG  54           H        ARG  54  12.191  -1.285   2.104
  391    HA   ARG  54           HA       ARG  54  13.922   0.178   2.793
  392   1HB   ARG  54          1HB       ARG  54  15.206  -2.046   1.740
  393   2HB   ARG  54          2HB       ARG  54  15.911  -0.705   0.835
  394   1HG   ARG  54          1HG       ARG  54  15.686   0.059   3.594
  395   2HG   ARG  54          2HG       ARG  54  16.488  -1.510   3.506
  396   1HD   ARG  54          1HD       ARG  54  17.510   0.216   1.420
  397   2HD   ARG  54          2HD       ARG  54  17.649   1.021   2.996
  398    HE   ARG  54           HE       ARG  54  18.639  -1.264   3.758
  399   1HH1  ARG  54          1HH2      ARG  54  19.542   0.654   1.145
  400   2HH1  ARG  54          2HH2      ARG  54  20.668  -0.482   0.478
  401   1HH2  ARG  54          1HH1      ARG  54  19.785  -3.035   2.651
  402   2HH2  ARG  54          2HH1      ARG  54  20.805  -2.570   1.331
  403    H    LYS  55           H        LYS  55  12.101   0.573   0.333
  404    HA   LYS  55           HA       LYS  55  13.131   3.149  -0.424
  405   1HB   LYS  55          1HB       LYS  55  13.905   2.648  -2.670
  406   2HB   LYS  55          2HB       LYS  55  14.754   1.588  -1.546
  407   1HG   LYS  55          1HG       LYS  55  12.223   0.449  -2.485
  408   2HG   LYS  55          2HG       LYS  55  13.359   0.766  -3.797
  409   1HD   LYS  55          1HD       LYS  55  14.950  -0.701  -2.947
  410   2HD   LYS  55          2HD       LYS  55  14.364  -0.532  -1.293
  411   1HE   LYS  55          1HE       LYS  55  12.551  -2.010  -1.665
  412   2HE   LYS  55          2HE       LYS  55  12.651  -1.825  -3.427
  413   1HZ   LYS  55          1HZ       LYS  55  14.632  -3.128  -1.627
  414   2HZ   LYS  55          2HZ       LYS  55  14.926  -2.791  -3.265
  415   3HZ   LYS  55          3HZ       LYS  55  13.699  -3.881  -2.826
  416    H    SER  56           H        SER  56  10.592   1.636   0.241
  417    HA   SER  56           HA       SER  56   8.351   1.482  -0.532
  418   1HB   SER  56          1HB       SER  56   7.766   3.805  -1.541
  419   2HB   SER  56          2HB       SER  56   8.419   3.757   0.095
  420    HG   SER  56           HG       SER  56  10.131   4.754  -0.553
  421    H    ASN  57           H        ASN  57   9.625  -0.111  -2.274
  422    HA   ASN  57           HA       ASN  57   9.373   0.923  -5.036
  423   1HB   ASN  57          1HB       ASN  57  10.317  -1.347  -5.553
  424   2HB   ASN  57          2HB       ASN  57  11.290  -0.452  -4.391
  425   1HD2  ASN  57          1HD2      ASN  57   9.903  -3.449  -4.950
  426   2HD2  ASN  57          2HD2      ASN  57   9.867  -4.018  -3.355
  427    H    PHE  58           H        PHE  58   7.320   0.927  -5.874
  428    HA   PHE  58           HA       PHE  58   5.742  -1.567  -5.883
  429   1HB   PHE  58          1HB       PHE  58   4.696   1.008  -4.624
  430   2HB   PHE  58          2HB       PHE  58   3.770  -0.458  -4.876
  431    HD1  PHE  58           1HD      PHE  58   6.572   0.975  -2.936
  432    HD2  PHE  58           2HD      PHE  58   4.058  -2.441  -3.593
  433    HE1  PHE  58           1HE      PHE  58   7.396  -0.045  -0.830
  434    HE2  PHE  58           2HE      PHE  58   4.880  -3.455  -1.487
  435    HZ   PHE  58           HZ       PHE  58   6.550  -2.256  -0.105
  436    H    ARG  59           H        ARG  59   4.603  -1.663  -7.865
  437    HA   ARG  59           HA       ARG  59   4.726   0.791  -9.570
  438   1HB   ARG  59          1HB       ARG  59   4.273  -1.059 -11.370
  439   2HB   ARG  59          2HB       ARG  59   5.877  -0.951 -10.650
  440   1HG   ARG  59          1HG       ARG  59   5.621  -2.903  -9.459
  441   2HG   ARG  59          2HG       ARG  59   3.882  -2.678  -9.263
  442   1HD   ARG  59          1HD       ARG  59   4.620  -4.570 -10.857
  443   2HD   ARG  59          2HD       ARG  59   3.449  -3.410 -11.516
  444    HE   ARG  59           HE       ARG  59   5.149  -2.755 -13.023
  445   1HH1  ARG  59          1HH2      ARG  59   6.621  -5.270 -11.740
  446   2HH1  ARG  59          2HH2      ARG  59   8.200  -4.582 -11.551
  447   1HH2  ARG  59          1HH1      ARG  59   7.137  -1.327 -12.092
  448   2HH2  ARG  59          2HH1      ARG  59   8.492  -2.351 -11.751
  449    H    VAL  60           H        VAL  60   2.848   1.857  -9.432
  450    HA   VAL  60           HA       VAL  60   0.331   0.503  -8.817
  451    HB   VAL  60           HB       VAL  60   1.146   2.632  -7.850
  452   1HG1  VAL  60          1HG1      VAL  60   2.271   3.626  -9.721
  453   2HG1  VAL  60          2HG1      VAL  60   0.893   4.670  -9.374
  454   3HG1  VAL  60          3HG1      VAL  60   0.825   3.539 -10.727
  455   1HG2  VAL  60          1HG2      VAL  60  -1.175   3.754  -9.150
  456   2HG2  VAL  60          2HG2      VAL  60  -1.044   3.097  -7.519
  457   3HG2  VAL  60          3HG2      VAL  60  -1.451   2.035  -8.868
  458    H    GLN  61           H        GLN  61  -1.399   0.258 -10.142
  459    HA   GLN  61           HA       GLN  61  -1.865   1.513 -12.665
  460   1HB   GLN  61          1HB       GLN  61  -1.224  -0.487 -14.083
  461   2HB   GLN  61          2HB       GLN  61   0.153   0.336 -13.349
  462   1HG   GLN  61          1HG       GLN  61  -0.250  -1.386 -11.391
  463   2HG   GLN  61          2HG       GLN  61  -1.076  -2.313 -12.643
  464   1HE2  GLN  61          1HE2      GLN  61   0.763  -3.905 -12.393
  465   2HE2  GLN  61          2HE2      GLN  61   2.231  -3.593 -13.184
  466    H    LEU  62           H        LEU  62  -3.558   0.048 -13.934
  467    HA   LEU  62           HA       LEU  62  -4.964  -1.896 -12.213
  468   1HB   LEU  62          1HB       LEU  62  -5.519   0.839 -12.055
  469   2HB   LEU  62          2HB       LEU  62  -6.797   0.199 -13.089
  470    HG   LEU  62           HG       LEU  62  -7.319  -1.513 -11.395
  471   1HD1  LEU  62          1HD1      LEU  62  -5.023  -0.196  -9.924
  472   2HD1  LEU  62          2HD1      LEU  62  -5.188  -1.895 -10.368
  473   3HD1  LEU  62          3HD1      LEU  62  -6.218  -1.208  -9.113
  474   1HD2  LEU  62          1HD2      LEU  62  -8.200   0.008  -9.651
  475   2HD2  LEU  62          2HD2      LEU  62  -8.460   0.671 -11.263
  476   3HD2  LEU  62          3HD2      LEU  62  -7.156   1.295 -10.254
  477    H    PHE  63           H        PHE  63  -5.842  -3.430 -13.531
  478    HA   PHE  63           HA       PHE  63  -6.093  -2.827 -16.444
  479   1HB   PHE  63          1HB       PHE  63  -4.779  -4.788 -15.183
  480   2HB   PHE  63          2HB       PHE  63  -6.364  -5.558 -15.252
  481    HD1  PHE  63           1HD      PHE  63  -4.307  -3.412 -17.556
  482    HD2  PHE  63           2HD      PHE  63  -6.619  -6.997 -17.057
  483    HE1  PHE  63           1HE      PHE  63  -3.918  -3.995 -19.935
  484    HE2  PHE  63           2HE      PHE  63  -6.230  -7.580 -19.436
  485    HZ   PHE  63           HZ       PHE  63  -4.879  -6.077 -20.875
  486    H    GLU  64           H        GLU  64  -7.886  -4.246 -13.705
  487    HA   GLU  64           HA       GLU  64 -10.194  -4.732 -13.475
  488   1HB   GLU  64          1HB       GLU  64  -9.930  -2.197 -13.593
  489   2HB   GLU  64          2HB       GLU  64 -10.405  -2.312 -15.288
  490   1HG   GLU  64          1HG       GLU  64 -12.530  -2.131 -14.507
  491   2HG   GLU  64          2HG       GLU  64 -12.343  -3.819 -14.026
  492    H    ASP  65           H        ASP  65  -9.591  -6.629 -15.070
  493    HA   ASP  65           HA       ASP  65 -10.692  -6.319 -17.793
  494   1HB   ASP  65          1HB       ASP  65  -8.607  -7.649 -16.965
  495   2HB   ASP  65          2HB       ASP  65  -9.779  -8.868 -16.462
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1  -7.483  -5.670  -5.933
    2   2H    MET   1          2HT       MET   1  -6.872  -6.145  -7.445
    3   3H    MET   1          3HT       MET   1  -7.871  -7.197  -6.562
    4    HA   MET   1           HA       MET   1  -8.609  -4.778  -8.082
    5   1HB   MET   1          1HB       MET   1  -9.366  -7.684  -7.819
    6   2HB   MET   1          2HB       MET   1 -10.468  -6.543  -8.593
    7   1HG   MET   1          1HG       MET   1  -7.564  -6.887  -9.393
    8   2HG   MET   1          2HG       MET   1  -8.901  -7.714 -10.191
    9   1HE   MET   1          1HE       MET   1 -11.228  -5.477 -10.010
   10   2HE   MET   1          2HE       MET   1 -10.842  -6.661 -11.256
   11   3HE   MET   1          3HE       MET   1 -11.041  -4.966 -11.693
   12    H    ASP   2           H        ASP   2 -10.762  -3.896  -7.663
   13    HA   ASP   2           HA       ASP   2 -11.390  -3.194  -5.049
   14   1HB   ASP   2          1HB       ASP   2 -12.465  -2.095  -6.853
   15   2HB   ASP   2          2HB       ASP   2 -13.049  -3.612  -7.538
   16    H    ASP   3           H        ASP   3 -12.014  -6.243  -6.648
   17    HA   ASP   3           HA       ASP   3 -14.073  -7.217  -4.871
   18   1HB   ASP   3          1HB       ASP   3 -12.011  -8.629  -6.597
   19   2HB   ASP   3          2HB       ASP   3 -13.454  -9.384  -5.920
   20    H    GLN   4           H        GLN   4 -10.540  -7.209  -4.763
   21    HA   GLN   4           HA       GLN   4 -10.371  -9.097  -2.536
   22   1HB   GLN   4          1HB       GLN   4  -8.689  -8.359  -4.464
   23   2HB   GLN   4          2HB       GLN   4  -8.211  -7.152  -3.269
   24   1HG   GLN   4          1HG       GLN   4  -6.862  -9.258  -3.131
   25   2HG   GLN   4          2HG       GLN   4  -7.729  -8.898  -1.639
   26   1HE2  GLN   4          1HE2      GLN   4  -8.766 -10.707  -0.797
   27   2HE2  GLN   4          2HE2      GLN   4  -9.385 -11.996  -1.711
   28    H    GLY   5           H        GLY   5  -9.233  -5.699  -2.690
   29   1HA   GLY   5          1HA       GLY   5 -10.177  -4.005  -1.134
   30   2HA   GLY   5          2HA       GLY   5 -10.421  -5.311   0.025
   31    H    CYS   6           H        CYS   6  -8.399  -2.768  -0.766
   32    HA   CYS   6           HA       CYS   6  -5.777  -3.286  -0.494
   33   1HB   CYS   6          1HB       CYS   6  -6.318  -1.051  -0.282
   34   2HB   CYS   6          2HB       CYS   6  -7.677  -1.383   0.779
   35    HA   PRO   7           HA       PRO   7  -5.223  -5.611   3.270
   36   1HB   PRO   7          1HB       PRO   7  -2.493  -5.567   3.275
   37   2HB   PRO   7          2HB       PRO   7  -3.435  -6.549   2.136
   38   1HG   PRO   7          1HG       PRO   7  -1.870  -4.117   1.672
   39   2HG   PRO   7          2HG       PRO   7  -2.429  -5.331   0.519
   40   1HD   PRO   7          1HD       PRO   7  -3.560  -2.738   1.096
   41   2HD   PRO   7          2HD       PRO   7  -4.062  -3.918  -0.133
   42    H    ARG   8           H        ARG   8  -2.940  -2.859   2.925
   43    HA   ARG   8           HA       ARG   8  -2.566  -2.424   5.741
   44   1HB   ARG   8          1HB       ARG   8  -1.310  -1.664   3.488
   45   2HB   ARG   8          2HB       ARG   8  -2.283  -0.216   3.739
   46   1HG   ARG   8          1HG       ARG   8  -1.001   0.462   5.461
   47   2HG   ARG   8          2HG       ARG   8  -1.056  -1.133   6.218
   48   1HD   ARG   8          1HD       ARG   8   0.567  -1.646   4.084
   49   2HD   ARG   8          2HD       ARG   8   0.996   0.041   4.430
   50    HE   ARG   8           HE       ARG   8   1.718  -2.189   6.067
   51   1HH1  ARG   8          1HH1      ARG   8   0.843   1.123   6.075
   52   2HH1  ARG   8          2HH1      ARG   8   1.153   1.348   7.764
   53   1HH2  ARG   8          1HH2      ARG   8   1.895  -1.989   8.344
   54   2HH2  ARG   8          2HH2      ARG   8   1.748  -0.412   9.049
   55    H    CYS   9           H        CYS   9  -4.076  -0.118   3.503
   56    HA   CYS   9           HA       CYS   9  -5.829   0.849   5.723
   57   1HB   CYS   9          1HB       CYS   9  -6.223   2.514   3.535
   58   2HB   CYS   9          2HB       CYS   9  -5.123   2.819   4.866
   59    H    LYS  10           H        LYS  10  -6.796  -1.552   4.824
   60    HA   LYS  10           HA       LYS  10  -8.325  -2.000   2.654
   61   1HB   LYS  10          1HB       LYS  10  -9.817  -3.248   4.079
   62   2HB   LYS  10          2HB       LYS  10  -8.222  -3.286   4.828
   63   1HG   LYS  10          1HG       LYS  10  -9.122  -1.098   6.039
   64   2HG   LYS  10          2HG       LYS  10 -10.689  -1.824   5.677
   65   1HD   LYS  10          1HD       LYS  10  -9.908  -2.555   7.891
   66   2HD   LYS  10          2HD       LYS  10  -9.943  -3.924   6.779
   67   1HE   LYS  10          1HE       LYS  10  -7.664  -4.168   6.842
   68   2HE   LYS  10          2HE       LYS  10  -7.386  -2.415   6.827
   69   1HZ   LYS  10          1HZ       LYS  10  -6.818  -3.172   8.989
   70   2HZ   LYS  10          2HZ       LYS  10  -8.219  -4.125   9.112
   71   3HZ   LYS  10          3HZ       LYS  10  -8.335  -2.430   9.146
   72    H    THR  11           H        THR  11  -8.932   0.020   1.631
   73    HA   THR  11           HA       THR  11 -11.636   0.851   2.123
   74    HB   THR  11           HB       THR  11 -10.094   1.761   4.065
   75    HG1  THR  11           1HG      THR  11 -12.158   2.417   4.046
   76   1HG2  THR  11          1HG2      THR  11  -9.169   3.983   3.545
   77   2HG2  THR  11          2HG2      THR  11  -9.695   3.813   1.865
   78   3HG2  THR  11          3HG2      THR  11  -8.439   2.752   2.509
   79    H    THR  12           H        THR  12  -9.176   0.591   0.020
   80    HA   THR  12           HA       THR  12  -9.673   3.162  -1.374
   81    HB   THR  12           HB       THR  12  -7.692   2.207  -2.738
   82    HG1  THR  12           1HG      THR  12  -7.383   0.185  -2.249
   83   1HG2  THR  12          1HG2      THR  12  -7.934   3.624  -0.357
   84   2HG2  THR  12          2HG2      THR  12  -6.495   3.528  -1.374
   85   3HG2  THR  12          3HG2      THR  12  -6.697   2.413  -0.022
   86    H    LYS  13           H        LYS  13  -8.696   0.996  -3.668
   87    HA   LYS  13           HA       LYS  13 -10.754   1.114  -5.411
   88   1HB   LYS  13          1HB       LYS  13 -10.153  -1.594  -5.517
   89   2HB   LYS  13          2HB       LYS  13  -9.374  -0.325  -6.419
   90   1HG   LYS  13          1HG       LYS  13  -7.734  -1.703  -5.282
   91   2HG   LYS  13          2HG       LYS  13  -7.699  -0.077  -4.626
   92   1HD   LYS  13          1HD       LYS  13  -7.591  -1.686  -2.803
   93   2HD   LYS  13          2HD       LYS  13  -9.154  -0.883  -2.731
   94   1HE   LYS  13          1HE       LYS  13  -9.089  -3.487  -2.518
   95   2HE   LYS  13          2HE       LYS  13 -10.286  -2.782  -3.617
   96   1HZ   LYS  13          1HZ       LYS  13  -7.549  -3.414  -4.541
   97   2HZ   LYS  13          2HZ       LYS  13  -8.969  -3.248  -5.459
   98   3HZ   LYS  13          3HZ       LYS  13  -8.732  -4.628  -4.496
   99    H    TYR  14           H        TYR  14 -10.884  -0.847  -2.446
  100    HA   TYR  14           HA       TYR  14 -13.350  -2.199  -3.043
  101   1HB   TYR  14          1HB       TYR  14 -11.568  -2.588  -1.194
  102   2HB   TYR  14          2HB       TYR  14 -12.422  -1.328  -0.306
  103    HD1  TYR  14           1HD      TYR  14 -12.125  -4.690  -0.365
  104    HD2  TYR  14           2HD      TYR  14 -15.209  -1.737  -0.816
  105    HE1  TYR  14           1HE      TYR  14 -13.822  -6.357   0.334
  106    HE2  TYR  14           2HE      TYR  14 -16.907  -3.403  -0.118
  107    HH   TYR  14           HH       TYR  14 -17.044  -5.475   1.122
  108    H    ARG  15           H        ARG  15 -12.595   0.721  -1.195
  109    HA   ARG  15           HA       ARG  15 -15.423   1.606  -1.207
  110   1HB   ARG  15          1HB       ARG  15 -12.862   2.167   0.160
  111   2HB   ARG  15          2HB       ARG  15 -13.860   3.592  -0.110
  112   1HG   ARG  15          1HG       ARG  15 -15.110   2.967   1.664
  113   2HG   ARG  15          2HG       ARG  15 -15.600   1.531   0.762
  114   1HD   ARG  15          1HD       ARG  15 -13.129   1.780   2.515
  115   2HD   ARG  15          2HD       ARG  15 -14.588   0.847   2.892
  116    HE   ARG  15           HE       ARG  15 -12.816   0.246   0.516
  117   1HH1  ARG  15          1HH2      ARG  15 -15.739  -0.725   1.646
  118   2HH1  ARG  15          2HH2      ARG  15 -15.310  -2.370   1.978
  119   1HH2  ARG  15          1HH1      ARG  15 -11.905  -1.837   1.594
  120   2HH2  ARG  15          2HH1      ARG  15 -13.138  -3.000   1.948
  121    H    ASN  16           H        ASN  16 -12.281   3.059  -1.983
  122    HA   ASN  16           HA       ASN  16 -13.199   5.074  -3.790
  123   1HB   ASN  16          1HB       ASN  16 -10.755   3.844  -2.768
  124   2HB   ASN  16          2HB       ASN  16 -10.590   4.228  -4.485
  125   1HD2  ASN  16          1HD2      ASN  16  -8.948   5.760  -3.153
  126   2HD2  ASN  16          2HD2      ASN  16  -9.558   7.311  -2.826
  127    HA   PRO  17           HA       PRO  17 -14.022   2.187  -7.098
  128   1HB   PRO  17          1HB       PRO  17 -14.872   4.022  -8.952
  129   2HB   PRO  17          2HB       PRO  17 -15.878   3.473  -7.597
  130   1HG   PRO  17          1HG       PRO  17 -14.430   6.023  -7.984
  131   2HG   PRO  17          2HG       PRO  17 -15.898   5.686  -7.060
  132   1HD   PRO  17          1HD       PRO  17 -13.294   6.021  -6.034
  133   2HD   PRO  17          2HD       PRO  17 -14.713   5.419  -5.152
  134    H    SER  18           H        SER  18 -12.902   5.205  -8.669
  135    HA   SER  18           HA       SER  18 -11.188   3.828 -10.521
  136   1HB   SER  18          1HB       SER  18 -12.062   6.001 -11.038
  137   2HB   SER  18          2HB       SER  18 -11.436   6.681  -9.539
  138    HG   SER  18           HG       SER  18 -10.140   7.153 -11.405
  139    H    LEU  19           H        LEU  19 -10.257   2.522  -8.511
  140    HA   LEU  19           HA       LEU  19  -7.753   3.900  -7.604
  141   1HB   LEU  19          1HB       LEU  19  -9.774   3.456  -5.998
  142   2HB   LEU  19          2HB       LEU  19  -9.235   1.781  -6.072
  143    HG   LEU  19           HG       LEU  19  -8.288   3.101  -4.152
  144   1HD1  LEU  19          1HD1      LEU  19  -7.106   1.217  -5.841
  145   2HD1  LEU  19          2HD1      LEU  19  -6.575   1.643  -4.216
  146   3HD1  LEU  19          3HD1      LEU  19  -5.861   2.441  -5.613
  147   1HD2  LEU  19          1HD2      LEU  19  -6.242   4.364  -5.809
  148   2HD2  LEU  19          2HD2      LEU  19  -7.214   5.047  -4.505
  149   3HD2  LEU  19          3HD2      LEU  19  -7.853   5.000  -6.141
  150    H    LYS  20           H        LYS  20  -5.893   2.495  -7.392
  151    HA   LYS  20           HA       LYS  20  -6.237  -0.261  -8.494
  152   1HB   LYS  20          1HB       LYS  20  -3.993   0.318  -9.710
  153   2HB   LYS  20          2HB       LYS  20  -5.495   0.954 -10.377
  154   1HG   LYS  20          1HG       LYS  20  -3.967   2.560  -8.343
  155   2HG   LYS  20          2HG       LYS  20  -3.456   2.568 -10.032
  156   1HD   LYS  20          1HD       LYS  20  -6.346   2.899  -9.744
  157   2HD   LYS  20          2HD       LYS  20  -5.440   4.173  -8.926
  158   1HE   LYS  20          1HE       LYS  20  -4.776   3.330 -11.759
  159   2HE   LYS  20          2HE       LYS  20  -5.985   4.582 -11.411
  160   1HZ   LYS  20          1HZ       LYS  20  -3.093   4.555 -10.833
  161   2HZ   LYS  20          2HZ       LYS  20  -4.130   5.438  -9.817
  162   3HZ   LYS  20          3HZ       LYS  20  -4.043   5.807 -11.473
  163    H    LEU  21           H        LEU  21  -4.149  -1.557  -8.122
  164    HA   LEU  21           HA       LEU  21  -3.030  -0.852  -5.429
  165   1HB   LEU  21          1HB       LEU  21  -4.032  -3.319  -6.757
  166   2HB   LEU  21          2HB       LEU  21  -2.638  -3.517  -5.696
  167    HG   LEU  21           HG       LEU  21  -3.829  -2.562  -3.834
  168   1HD1  LEU  21          1HD1      LEU  21  -6.029  -2.001  -5.845
  169   2HD1  LEU  21          2HD1      LEU  21  -5.012  -0.791  -5.072
  170   3HD1  LEU  21          3HD1      LEU  21  -6.153  -1.724  -4.109
  171   1HD2  LEU  21          1HD2      LEU  21  -4.328  -4.940  -4.393
  172   2HD2  LEU  21          2HD2      LEU  21  -5.712  -4.401  -5.345
  173   3HD2  LEU  21          3HD2      LEU  21  -5.685  -4.141  -3.600
  174    H    MET  22           H        MET  22  -0.826  -0.584  -5.335
  175    HA   MET  22           HA       MET  22   0.734  -1.297  -7.758
  176   1HB   MET  22          1HB       MET  22   2.156   0.220  -5.716
  177   2HB   MET  22          2HB       MET  22   1.846   0.646  -7.392
  178   1HG   MET  22          1HG       MET  22  -0.487   1.323  -6.716
  179   2HG   MET  22          2HG       MET  22  -0.010   1.074  -5.036
  180   1HE   MET  22          1HE       MET  22  -0.366   4.883  -6.127
  181   2HE   MET  22          2HE       MET  22  -0.567   4.023  -4.602
  182   3HE   MET  22          3HE       MET  22  -1.278   3.369  -6.076
  183    H    VAL  23           H        VAL  23   2.778  -2.403  -7.498
  184    HA   VAL  23           HA       VAL  23   2.822  -4.124  -5.050
  185    HB   VAL  23           HB       VAL  23   3.278  -4.492  -7.972
  186   1HG1  VAL  23          1HG1      VAL  23   4.690  -6.214  -5.912
  187   2HG1  VAL  23          2HG1      VAL  23   5.496  -5.050  -6.964
  188   3HG1  VAL  23          3HG1      VAL  23   4.690  -6.456  -7.659
  189   1HG2  VAL  23          1HG2      VAL  23   2.524  -6.830  -6.464
  190   2HG2  VAL  23          2HG2      VAL  23   1.578  -5.928  -7.648
  191   3HG2  VAL  23          3HG2      VAL  23   1.547  -5.455  -5.950
  192    H    ASN  24           H        ASN  24   4.884  -4.544  -4.083
  193    HA   ASN  24           HA       ASN  24   7.017  -2.579  -4.846
  194   1HB   ASN  24          1HB       ASN  24   6.998  -3.797  -2.139
  195   2HB   ASN  24          2HB       ASN  24   7.304  -2.131  -2.614
  196   1HD2  ASN  24          1HD2      ASN  24   4.865  -1.590  -4.015
  197   2HD2  ASN  24          2HD2      ASN  24   3.583  -1.637  -2.904
  198    H    VAL  25           H        VAL  25   8.749  -3.590  -5.741
  199    HA   VAL  25           HA       VAL  25  10.089  -5.421  -6.447
  200    HB   VAL  25           HB       VAL  25  11.404  -4.567  -4.721
  201   1HG1  VAL  25          1HG1      VAL  25   9.638  -3.918  -3.186
  202   2HG1  VAL  25          2HG1      VAL  25  10.857  -4.835  -2.304
  203   3HG1  VAL  25          3HG1      VAL  25   9.337  -5.598  -2.754
  204   1HG2  VAL  25          1HG2      VAL  25  11.244  -7.050  -3.223
  205   2HG2  VAL  25          2HG2      VAL  25  12.548  -6.432  -4.235
  206   3HG2  VAL  25          3HG2      VAL  25  11.221  -7.335  -4.963
  207    H    CYS  26           H        CYS  26   9.395  -7.175  -3.466
  208    HA   CYS  26           HA       CYS  26   8.763  -9.608  -4.737
  209   1HB   CYS  26          1HB       CYS  26   7.658 -10.083  -2.479
  210   2HB   CYS  26          2HB       CYS  26   9.330  -9.533  -2.412
  211    H    GLY  27           H        GLY  27   7.228  -9.521  -6.318
  212   1HA   GLY  27          1HA       GLY  27   4.977  -8.005  -6.659
  213   2HA   GLY  27          2HA       GLY  27   5.002  -9.705  -7.113
  214    H    HIS  28           H        HIS  28   3.971  -7.400  -4.663
  215    HA   HIS  28           HA       HIS  28   2.359  -9.606  -3.450
  216   1HB   HIS  28          1HB       HIS  28   4.237  -7.677  -2.258
  217   2HB   HIS  28          2HB       HIS  28   2.693  -7.778  -1.409
  218    HD2  HIS  28           2HD      HIS  28   2.105 -10.966  -1.901
  219    HE1  HIS  28           1HE      HIS  28   5.819 -11.666  -0.046
  220    HE2  HIS  28           2HE      HIS  28   3.637 -12.728  -0.757
  221    H    THR  29           H        THR  29   1.871  -6.386  -2.199
  222    HA   THR  29           HA       THR  29  -0.116  -5.565  -4.160
  223    HB   THR  29           HB       THR  29  -0.858  -7.188  -1.737
  224    HG1  THR  29           1HG      THR  29  -1.272  -7.216  -4.492
  225   1HG2  THR  29          1HG2      THR  29  -2.212  -4.785  -2.670
  226   2HG2  THR  29          2HG2      THR  29  -2.566  -5.787  -1.264
  227   3HG2  THR  29          3HG2      THR  29  -3.248  -6.202  -2.834
  228    H    LEU  30           H        LEU  30  -0.473  -3.406  -3.864
  229    HA   LEU  30           HA       LEU  30  -0.339  -2.200  -1.137
  230   1HB   LEU  30          1HB       LEU  30   1.885  -2.344  -2.535
  231   2HB   LEU  30          2HB       LEU  30   1.189  -1.017  -3.441
  232    HG   LEU  30           HG       LEU  30   0.835   0.048  -1.068
  233   1HD1  LEU  30          1HD1      LEU  30   1.473  -1.907   0.233
  234   2HD1  LEU  30          2HD1      LEU  30   2.652  -0.621   0.486
  235   3HD1  LEU  30          3HD1      LEU  30   3.033  -1.971  -0.584
  236   1HD2  LEU  30          1HD2      LEU  30   2.548   0.478  -3.064
  237   2HD2  LEU  30          2HD2      LEU  30   3.698  -0.098  -1.856
  238   3HD2  LEU  30          3HD2      LEU  30   2.696   1.306  -1.517
  239    H    CYS  31           H        CYS  31  -2.623  -1.680  -1.451
  240    HA   CYS  31           HA       CYS  31  -3.819  -0.626  -3.748
  241   1HB   CYS  31          1HB       CYS  31  -5.587  -0.335  -2.337
  242   2HB   CYS  31          2HB       CYS  31  -4.569  -1.208  -1.214
  243    H    GLU  32           H        GLU  32  -4.769   1.854  -3.577
  244    HA   GLU  32           HA       GLU  32  -2.442   3.501  -4.191
  245   1HB   GLU  32          1HB       GLU  32  -4.090   4.775  -5.093
  246   2HB   GLU  32          2HB       GLU  32  -5.252   3.629  -4.446
  247   1HG   GLU  32          1HG       GLU  32  -5.874   5.850  -3.703
  248   2HG   GLU  32          2HG       GLU  32  -5.307   4.942  -2.311
  249    H    SER  33           H        SER  33  -4.660   3.446  -1.417
  250    HA   SER  33           HA       SER  33  -3.335   5.453   0.127
  251   1HB   SER  33          1HB       SER  33  -5.217   3.171   0.755
  252   2HB   SER  33          2HB       SER  33  -4.741   4.373   1.950
  253    HG   SER  33           HG       SER  33  -5.738   5.936   0.844
  254    H    CYS  34           H        CYS  34  -2.404   2.117  -0.440
  255    HA   CYS  34           HA       CYS  34  -1.124   1.745   2.150
  256   1HB   CYS  34          1HB       CYS  34  -1.011   0.429  -0.564
  257   2HB   CYS  34          2HB       CYS  34   0.159  -0.001   0.685
  258    H    VAL  35           H        VAL  35   0.170   2.430  -1.115
  259    HA   VAL  35           HA       VAL  35   2.844   2.885  -0.629
  260    HB   VAL  35           HB       VAL  35   0.727   4.034  -2.385
  261   1HG1  VAL  35          1HG1      VAL  35   3.244   5.463  -1.715
  262   2HG1  VAL  35          2HG1      VAL  35   1.705   6.098  -2.305
  263   3HG1  VAL  35          3HG1      VAL  35   2.837   5.345  -3.428
  264   1HG2  VAL  35          1HG2      VAL  35   1.718   2.120  -3.270
  265   2HG2  VAL  35          2HG2      VAL  35   3.318   2.557  -2.675
  266   3HG2  VAL  35          3HG2      VAL  35   2.635   3.401  -4.061
  267    H    ASP  36           H        ASP  36   0.351   5.430  -0.322
  268    HA   ASP  36           HA       ASP  36   1.965   7.490   0.686
  269   1HB   ASP  36          1HB       ASP  36  -0.317   8.139   1.832
  270   2HB   ASP  36          2HB       ASP  36  -0.188   8.104   0.077
  271    H    LEU  37           H        LEU  37  -0.100   5.445   2.854
  272    HA   LEU  37           HA       LEU  37   1.425   6.453   5.157
  273   1HB   LEU  37          1HB       LEU  37  -1.002   4.779   4.650
  274   2HB   LEU  37          2HB       LEU  37  -0.274   4.768   6.257
  275    HG   LEU  37           HG       LEU  37  -0.776   7.392   4.884
  276   1HD1  LEU  37          1HD1      LEU  37  -2.905   6.415   6.690
  277   2HD1  LEU  37          2HD1      LEU  37  -2.838   5.617   5.119
  278   3HD1  LEU  37          3HD1      LEU  37  -3.033   7.367   5.211
  279   1HD2  LEU  37          1HD2      LEU  37  -0.645   6.379   7.735
  280   2HD2  LEU  37          2HD2      LEU  37  -1.193   8.006   7.327
  281   3HD2  LEU  37          3HD2      LEU  37   0.453   7.507   6.939
  282    H    LEU  38           H        LEU  38   1.408   3.512   3.264
  283    HA   LEU  38           HA       LEU  38   2.470   1.698   5.175
  284   1HB   LEU  38          1HB       LEU  38   1.499   1.109   2.995
  285   2HB   LEU  38          2HB       LEU  38   2.816   1.924   2.170
  286    HG   LEU  38           HG       LEU  38   4.112   0.087   2.269
  287   1HD1  LEU  38          1HD1      LEU  38   4.252  -1.239   4.542
  288   2HD1  LEU  38          2HD1      LEU  38   3.470   0.190   5.205
  289   3HD1  LEU  38          3HD1      LEU  38   5.031   0.334   4.400
  290   1HD2  LEU  38          1HD2      LEU  38   2.381  -1.751   3.679
  291   2HD2  LEU  38          2HD2      LEU  38   2.831  -1.724   1.979
  292   3HD2  LEU  38          3HD2      LEU  38   1.459  -0.771   2.539
  293    H    PHE  39           H        PHE  39   4.230   3.624   2.722
  294    HA   PHE  39           HA       PHE  39   6.804   2.872   3.919
  295   1HB   PHE  39          1HB       PHE  39   6.001   4.606   1.581
  296   2HB   PHE  39          2HB       PHE  39   7.645   4.048   1.915
  297    HD1  PHE  39           1HD      PHE  39   8.263   1.711   1.581
  298    HD2  PHE  39           2HD      PHE  39   4.217   3.028   0.998
  299    HE1  PHE  39           1HE      PHE  39   7.700  -0.472   0.540
  300    HE2  PHE  39           2HE      PHE  39   3.660   0.857  -0.023
  301    HZ   PHE  39           HZ       PHE  39   5.390  -0.898  -0.269
  302    H    VAL  40           H        VAL  40   4.857   5.885   3.669
  303    HA   VAL  40           HA       VAL  40   6.795   7.747   4.472
  304    HB   VAL  40           HB       VAL  40   4.855   8.901   5.613
  305   1HG1  VAL  40          1HG1      VAL  40   4.486   7.742   2.842
  306   2HG1  VAL  40          2HG1      VAL  40   5.217   9.291   3.264
  307   3HG1  VAL  40          3HG1      VAL  40   3.487   9.039   3.498
  308   1HG2  VAL  40          1HG2      VAL  40   2.643   7.799   5.360
  309   2HG2  VAL  40          2HG2      VAL  40   3.712   6.927   6.460
  310   3HG2  VAL  40          3HG2      VAL  40   3.461   6.333   4.819
  311    H    ARG  41           H        ARG  41   5.237   5.232   6.393
  312    HA   ARG  41           HA       ARG  41   6.005   6.166   8.998
  313   1HB   ARG  41          1HB       ARG  41   5.860   3.276   8.105
  314   2HB   ARG  41          2HB       ARG  41   5.437   3.947   9.678
  315   1HG   ARG  41          1HG       ARG  41   3.878   5.240   7.620
  316   2HG   ARG  41          2HG       ARG  41   3.717   3.489   7.487
  317   1HD   ARG  41          1HD       ARG  41   3.619   4.325  10.273
  318   2HD   ARG  41          2HD       ARG  41   2.368   5.140   9.312
  319    HE   ARG  41           HE       ARG  41   1.334   3.025   9.084
  320   1HH1  ARG  41          1HH2      ARG  41   2.885   1.958  11.416
  321   2HH1  ARG  41          2HH2      ARG  41   3.653   0.563  10.734
  322   1HH2  ARG  41          1HH1      ARG  41   3.105   1.541   7.453
  323   2HH2  ARG  41          2HH1      ARG  41   3.777   0.327   8.490
  324    H    GLY  42           H        GLY  42   7.485   3.448   7.209
  325   1HA   GLY  42          1HA       GLY  42  10.170   4.497   7.950
  326   2HA   GLY  42          2HA       GLY  42   9.754   2.836   8.372
  327    H    ALA  43           H        ALA  43   8.197   3.579   5.487
  328    HA   ALA  43           HA       ALA  43   8.566   2.599   3.342
  329   1HB   ALA  43          1HB       ALA  43  10.063   3.995   2.226
  330   2HB   ALA  43          2HB       ALA  43  11.246   3.935   3.532
  331   3HB   ALA  43          3HB       ALA  43   9.794   4.921   3.704
  332    H    GLY  44           H        GLY  44   8.843   0.321   3.803
  333   1HA   GLY  44          1HA       GLY  44  11.081  -0.985   2.923
  334   2HA   GLY  44          2HA       GLY  44  11.471  -0.678   4.613
  335    H    ASN  45           H        ASN  45   8.431  -0.901   5.146
  336    HA   ASN  45           HA       ASN  45   8.479  -3.841   5.546
  337   1HB   ASN  45          1HB       ASN  45   6.875  -1.503   6.582
  338   2HB   ASN  45          2HB       ASN  45   6.379  -3.165   6.903
  339   1HD2  ASN  45          1HD2      ASN  45   7.049  -3.651   9.006
  340   2HD2  ASN  45          2HD2      ASN  45   8.580  -3.293   9.644
  341    H    CYS  46           H        CYS  46   7.760  -4.894   3.699
  342    HA   CYS  46           HA       CYS  46   5.965  -3.976   1.727
  343   1HB   CYS  46          1HB       CYS  46   7.376  -5.983   1.596
  344   2HB   CYS  46          2HB       CYS  46   6.434  -6.743   2.870
  345    HA   PRO  47           HA       PRO  47   2.052  -3.771   3.718
  346   1HB   PRO  47          1HB       PRO  47   0.469  -4.473   1.573
  347   2HB   PRO  47          2HB       PRO  47   1.225  -2.887   1.773
  348   1HG   PRO  47          1HG       PRO  47   2.222  -5.268   0.241
  349   2HG   PRO  47          2HG       PRO  47   2.046  -3.595  -0.314
  350   1HD   PRO  47          1HD       PRO  47   4.411  -4.476   0.471
  351   2HD   PRO  47          2HD       PRO  47   3.868  -2.868   0.987
  352    H    GLU  48           H        GLU  48   3.409  -6.698   2.556
  353    HA   GLU  48           HA       GLU  48   1.403  -8.197   4.171
  354   1HB   GLU  48          1HB       GLU  48   0.774  -9.596   2.417
  355   2HB   GLU  48          2HB       GLU  48   0.947  -8.039   1.612
  356   1HG   GLU  48          1HG       GLU  48   2.208  -9.289   0.171
  357   2HG   GLU  48          2HG       GLU  48   3.471  -8.935   1.346
  358    H    CYS  49           H        CYS  49   4.653  -8.335   2.607
  359    HA   CYS  49           HA       CYS  49   5.235 -10.612   4.470
  360   1HB   CYS  49          1HB       CYS  49   6.619 -11.526   2.823
  361   2HB   CYS  49          2HB       CYS  49   5.337 -10.806   1.860
  362    H    GLY  50           H        GLY  50   5.568  -7.437   4.521
  363   1HA   GLY  50          1HA       GLY  50   7.248  -5.908   5.218
  364   2HA   GLY  50          2HA       GLY  50   7.368  -7.089   6.519
  365    H    THR  51           H        THR  51   8.407  -7.063   3.083
  366    HA   THR  51           HA       THR  51  10.857  -8.505   3.708
  367    HB   THR  51           HB       THR  51   9.759  -8.776   1.570
  368    HG1  THR  51           1HG      THR  51  11.615  -8.807   0.624
  369   1HG2  THR  51          1HG2      THR  51   8.638  -7.058   0.656
  370   2HG2  THR  51          2HG2      THR  51  10.168  -6.249   0.318
  371   3HG2  THR  51          3HG2      THR  51   9.335  -5.959   1.846
  372    HA   PRO  52           HA       PRO  52  13.456  -5.093   4.672
  373   1HB   PRO  52          1HB       PRO  52  15.842  -5.978   3.637
  374   2HB   PRO  52          2HB       PRO  52  15.136  -6.613   5.138
  375   1HG   PRO  52          1HG       PRO  52  15.073  -7.740   2.369
  376   2HG   PRO  52          2HG       PRO  52  15.328  -8.568   3.914
  377   1HD   PRO  52          1HD       PRO  52  12.950  -8.582   2.598
  378   2HD   PRO  52          2HD       PRO  52  13.069  -8.659   4.370
  379    H    LEU  53           H        LEU  53  12.218  -3.775   3.036
  380    HA   LEU  53           HA       LEU  53  13.194  -3.570   0.300
  381   1HB   LEU  53          1HB       LEU  53  11.061  -2.610   2.003
  382   2HB   LEU  53          2HB       LEU  53  11.728  -1.278   1.058
  383    HG   LEU  53           HG       LEU  53  11.518  -3.541  -0.666
  384   1HD1  LEU  53          1HD1      LEU  53   8.750  -2.973   0.097
  385   2HD1  LEU  53          2HD1      LEU  53   9.651  -3.787   1.376
  386   3HD1  LEU  53          3HD1      LEU  53   9.528  -4.523  -0.222
  387   1HD2  LEU  53          1HD2      LEU  53   9.440  -1.628  -1.117
  388   2HD2  LEU  53          2HD2      LEU  53  10.972  -1.790  -1.975
  389   3HD2  LEU  53          3HD2      LEU  53  10.866  -0.759  -0.548
  390    H    ARG  54           H        ARG  54  12.891  -0.837   2.534
  391    HA   ARG  54           HA       ARG  54  14.470   0.797   3.211
  392   1HB   ARG  54          1HB       ARG  54  15.938  -1.537   2.794
  393   2HB   ARG  54          2HB       ARG  54  16.766  -0.340   1.798
  394   1HG   ARG  54          1HG       ARG  54  16.112   0.925   4.261
  395   2HG   ARG  54          2HG       ARG  54  16.823  -0.641   4.655
  396   1HD   ARG  54          1HD       ARG  54  18.852  -0.122   3.564
  397   2HD   ARG  54          2HD       ARG  54  18.105   1.162   2.593
  398    HE   ARG  54           HE       ARG  54  18.910   1.365   5.436
  399   1HH1  ARG  54          1HH1      ARG  54  16.545   2.462   3.246
  400   2HH1  ARG  54          2HH1      ARG  54  16.722   4.136   3.655
  401   1HH2  ARG  54          1HH2      ARG  54  19.426   3.610   5.761
  402   2HH2  ARG  54          2HH2      ARG  54  18.353   4.786   5.078
  403    H    LYS  55           H        LYS  55  13.423   0.120   0.169
  404    HA   LYS  55           HA       LYS  55  14.823   2.518  -0.966
  405   1HB   LYS  55          1HB       LYS  55  14.863   1.362  -3.101
  406   2HB   LYS  55          2HB       LYS  55  15.540   0.282  -1.883
  407   1HG   LYS  55          1HG       LYS  55  12.594   0.176  -2.484
  408   2HG   LYS  55          2HG       LYS  55  13.733  -0.624  -3.567
  409   1HD   LYS  55          1HD       LYS  55  14.621  -1.381  -1.057
  410   2HD   LYS  55          2HD       LYS  55  12.867  -1.387  -0.871
  411   1HE   LYS  55          1HE       LYS  55  13.231  -3.544  -1.716
  412   2HE   LYS  55          2HE       LYS  55  12.980  -2.646  -3.226
  413   1HZ   LYS  55          1HZ       LYS  55  15.258  -2.485  -3.588
  414   2HZ   LYS  55          2HZ       LYS  55  15.105  -4.060  -2.971
  415   3HZ   LYS  55          3HZ       LYS  55  15.651  -2.802  -1.968
  416    H    SER  56           H        SER  56  11.820   0.853  -0.402
  417    HA   SER  56           HA       SER  56   9.594   1.588  -0.715
  418   1HB   SER  56          1HB       SER  56   9.366   3.861  -0.460
  419   2HB   SER  56          2HB       SER  56  11.092   3.765  -0.123
  420    HG   SER  56           HG       SER  56  11.462   4.842  -1.859
  421    H    ASN  57           H        ASN  57   8.824   0.457  -2.496
  422    HA   ASN  57           HA       ASN  57   9.070   1.779  -5.152
  423   1HB   ASN  57          1HB       ASN  57   9.578  -0.619  -6.038
  424   2HB   ASN  57          2HB       ASN  57  10.888   0.258  -5.246
  425   1HD2  ASN  57          1HD2      ASN  57  11.710  -2.043  -4.860
  426   2HD2  ASN  57          2HD2      ASN  57  11.141  -2.865  -3.491
  427    H    PHE  58           H        PHE  58   7.060   1.785  -6.105
  428    HA   PHE  58           HA       PHE  58   5.173  -0.436  -5.435
  429   1HB   PHE  58          1HB       PHE  58   3.937   2.230  -5.736
  430   2HB   PHE  58          2HB       PHE  58   3.623   0.983  -4.524
  431    HD1  PHE  58           1HD      PHE  58   5.355   4.090  -5.222
  432    HD2  PHE  58           2HD      PHE  58   5.167   0.696  -2.613
  433    HE1  PHE  58           1HE      PHE  58   6.613   5.350  -3.492
  434    HE2  PHE  58           2HE      PHE  58   6.407   1.944  -0.896
  435    HZ   PHE  58           HZ       PHE  58   7.142   4.270  -1.320
  436    H    ARG  59           H        ARG  59   4.516  -1.331  -7.305
  437    HA   ARG  59           HA       ARG  59   4.537   0.318  -9.803
  438   1HB   ARG  59          1HB       ARG  59   4.069  -2.381 -10.448
  439   2HB   ARG  59          2HB       ARG  59   5.600  -1.530 -10.596
  440   1HG   ARG  59          1HG       ARG  59   6.173  -2.184  -8.261
  441   2HG   ARG  59          2HG       ARG  59   4.657  -3.082  -8.163
  442   1HD   ARG  59          1HD       ARG  59   6.016  -4.817  -8.870
  443   2HD   ARG  59          2HD       ARG  59   5.670  -4.122 -10.467
  444    HE   ARG  59           HE       ARG  59   7.788  -2.768 -10.151
  445   1HH1  ARG  59          1HH1      ARG  59   7.642  -6.026  -9.556
  446   2HH1  ARG  59          2HH1      ARG  59   9.108  -6.124  -8.639
  447   1HH2  ARG  59          1HH2      ARG  59   9.502  -2.687  -8.404
  448   2HH2  ARG  59          2HH2      ARG  59  10.161  -4.233  -7.987
  449    H    VAL  60           H        VAL  60   2.519   1.314  -9.723
  450    HA   VAL  60           HA       VAL  60   0.124  -0.137  -8.873
  451    HB   VAL  60           HB       VAL  60   0.631   2.224  -8.342
  452   1HG1  VAL  60          1HG1      VAL  60   0.882   3.861  -9.964
  453   2HG1  VAL  60          2HG1      VAL  60  -0.095   2.987 -11.144
  454   3HG1  VAL  60          3HG1      VAL  60   1.562   2.479 -10.824
  455   1HG2  VAL  60          1HG2      VAL  60  -1.675   3.010  -9.611
  456   2HG2  VAL  60          2HG2      VAL  60  -1.628   2.091  -8.107
  457   3HG2  VAL  60          3HG2      VAL  60  -1.830   1.255  -9.646
  458    H    GLN  61           H        GLN  61  -1.636  -0.645 -10.085
  459    HA   GLN  61           HA       GLN  61  -2.167  -0.043 -12.806
  460   1HB   GLN  61          1HB       GLN  61  -1.407  -2.240 -13.787
  461   2HB   GLN  61          2HB       GLN  61  -0.072  -1.228 -13.237
  462   1HG   GLN  61          1HG       GLN  61   0.586  -2.830 -11.798
  463   2HG   GLN  61          2HG       GLN  61  -1.010  -2.848 -11.047
  464   1HE2  GLN  61          1HE2      GLN  61  -1.055  -5.201 -10.892
  465   2HE2  GLN  61          2HE2      GLN  61  -1.216  -6.181 -12.269
  466    H    LEU  62           H        LEU  62  -4.127  -1.192 -13.476
  467    HA   LEU  62           HA       LEU  62  -5.197  -3.361 -11.814
  468   1HB   LEU  62          1HB       LEU  62  -5.415  -0.883 -10.764
  469   2HB   LEU  62          2HB       LEU  62  -6.869  -0.895 -11.759
  470    HG   LEU  62           HG       LEU  62  -7.257  -3.255 -10.664
  471   1HD1  LEU  62          1HD1      LEU  62  -6.085  -3.780  -8.769
  472   2HD1  LEU  62          2HD1      LEU  62  -5.938  -2.093  -8.271
  473   3HD1  LEU  62          3HD1      LEU  62  -4.857  -2.749  -9.500
  474   1HD2  LEU  62          1HD2      LEU  62  -8.105  -0.628 -10.095
  475   2HD2  LEU  62          2HD2      LEU  62  -7.751  -1.357  -8.528
  476   3HD2  LEU  62          3HD2      LEU  62  -8.907  -2.124  -9.618
  477    H    PHE  63           H        PHE  63  -6.059  -0.731 -14.082
  478    HA   PHE  63           HA       PHE  63  -8.305  -2.085 -15.265
  479   1HB   PHE  63          1HB       PHE  63  -7.829   0.354 -15.342
  480   2HB   PHE  63          2HB       PHE  63  -6.431   0.035 -16.369
  481    HD1  PHE  63           1HD      PHE  63  -9.691  -1.749 -16.483
  482    HD2  PHE  63           2HD      PHE  63  -7.124   1.123 -18.383
  483    HE1  PHE  63           1HE      PHE  63 -11.161  -1.756 -18.480
  484    HE2  PHE  63           2HE      PHE  63  -8.594   1.116 -20.380
  485    HZ   PHE  63           HZ       PHE  63 -10.612  -0.323 -20.429
  486    H    GLU  64           H        GLU  64  -7.056  -4.261 -15.418
  487    HA   GLU  64           HA       GLU  64  -5.261  -4.403 -17.792
  488   1HB   GLU  64          1HB       GLU  64  -6.069  -6.569 -15.833
  489   2HB   GLU  64          2HB       GLU  64  -4.647  -6.541 -16.877
  490   1HG   GLU  64          1HG       GLU  64  -4.164  -4.277 -15.563
  491   2HG   GLU  64          2HG       GLU  64  -5.176  -5.043 -14.338
  492    H    ASP  65           H        ASP  65  -6.091  -7.302 -18.048
  493    HA   ASP  65           HA       ASP  65  -7.474  -8.464 -19.587
  494   1HB   ASP  65          1HB       ASP  65  -9.079  -7.064 -17.515
  495   2HB   ASP  65          2HB       ASP  65  -9.987  -7.715 -18.881
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1 -10.113  -1.997  -8.255
    2   2H    MET   1          2HT       MET   1 -10.577  -1.212  -9.689
    3   3H    MET   1          3HT       MET   1 -10.379  -2.900  -9.666
    4    HA   MET   1           HA       MET   1 -12.537  -1.297  -8.414
    5   1HB   MET   1          1HB       MET   1 -13.881  -2.775  -9.853
    6   2HB   MET   1          2HB       MET   1 -12.636  -1.971 -10.809
    7   1HG   MET   1          1HG       MET   1 -11.754  -3.957 -11.396
    8   2HG   MET   1          2HG       MET   1 -11.581  -4.417  -9.702
    9   1HE   MET   1          1HE       MET   1 -13.116  -7.516 -11.111
   10   2HE   MET   1          2HE       MET   1 -11.666  -6.516 -11.074
   11   3HE   MET   1          3HE       MET   1 -12.732  -6.459 -12.477
   12    H    ASP   2           H        ASP   2 -11.631  -2.038  -6.246
   13    HA   ASP   2           HA       ASP   2 -11.477  -3.602  -4.461
   14   1HB   ASP   2          1HB       ASP   2 -13.673  -4.413  -3.970
   15   2HB   ASP   2          2HB       ASP   2 -13.909  -2.922  -4.878
   16    H    ASP   3           H        ASP   3  -9.982  -4.586  -6.635
   17    HA   ASP   3           HA       ASP   3 -10.840  -7.356  -7.175
   18   1HB   ASP   3          1HB       ASP   3  -9.833  -6.045  -8.944
   19   2HB   ASP   3          2HB       ASP   3  -8.438  -5.668  -7.932
   20    H    GLN   4           H        GLN   4  -7.450  -6.705  -6.643
   21    HA   GLN   4           HA       GLN   4  -6.841  -8.932  -5.117
   22   1HB   GLN   4          1HB       GLN   4  -5.626  -6.523  -5.891
   23   2HB   GLN   4          2HB       GLN   4  -5.446  -6.574  -4.137
   24   1HG   GLN   4          1HG       GLN   4  -4.923  -9.159  -5.414
   25   2HG   GLN   4          2HG       GLN   4  -3.823  -7.889  -5.952
   26   1HE2  GLN   4          1HE2      GLN   4  -5.376  -8.345  -2.735
   27   2HE2  GLN   4          2HE2      GLN   4  -3.915  -8.437  -1.875
   28    H    GLY   5           H        GLY   5  -6.976  -5.781  -3.430
   29   1HA   GLY   5          1HA       GLY   5  -8.890  -5.649  -1.695
   30   2HA   GLY   5          2HA       GLY   5  -8.288  -7.213  -1.164
   31    H    CYS   6           H        CYS   6  -7.428  -3.757  -1.432
   32    HA   CYS   6           HA       CYS   6  -5.003  -3.323  -0.450
   33   1HB   CYS   6          1HB       CYS   6  -6.402  -1.462  -0.436
   34   2HB   CYS   6          2HB       CYS   6  -7.704  -2.319   0.343
   35    HA   PRO   7           HA       PRO   7  -4.631  -5.699   3.330
   36   1HB   PRO   7          1HB       PRO   7  -1.990  -5.152   3.736
   37   2HB   PRO   7          2HB       PRO   7  -2.566  -6.285   2.499
   38   1HG   PRO   7          1HG       PRO   7  -1.412  -3.608   2.204
   39   2HG   PRO   7          2HG       PRO   7  -1.570  -4.901   1.011
   40   1HD   PRO   7          1HD       PRO   7  -3.219  -2.561   1.355
   41   2HD   PRO   7          2HD       PRO   7  -3.310  -3.810   0.099
   42    H    ARG   8           H        ARG   8  -2.416  -2.917   3.653
   43    HA   ARG   8           HA       ARG   8  -2.707  -2.482   6.405
   44   1HB   ARG   8          1HB       ARG   8  -1.142  -1.507   4.501
   45   2HB   ARG   8          2HB       ARG   8  -2.288  -0.171   4.566
   46   1HG   ARG   8          1HG       ARG   8  -1.692   0.469   6.669
   47   2HG   ARG   8          2HG       ARG   8  -1.205  -1.161   7.150
   48   1HD   ARG   8          1HD       ARG   8   0.467  -0.303   4.976
   49   2HD   ARG   8          2HD       ARG   8   0.464   0.956   6.225
   50    HE   ARG   8           HE       ARG   8   0.898  -1.918   6.952
   51   1HH1  ARG   8          1HH1      ARG   8   1.071   1.191   8.105
   52   2HH1  ARG   8          2HH1      ARG   8   2.699   1.092   8.690
   53   1HH2  ARG   8          1HH2      ARG   8   3.331  -1.970   7.191
   54   2HH2  ARG   8          2HH2      ARG   8   3.977  -0.699   8.174
   55    H    CYS   9           H        CYS   9  -4.507  -0.674   3.834
   56    HA   CYS   9           HA       CYS   9  -6.329   0.209   6.040
   57   1HB   CYS   9          1HB       CYS   9  -6.264   2.385   5.143
   58   2HB   CYS   9          2HB       CYS   9  -4.608   1.822   5.013
   59    H    LYS  10           H        LYS  10  -7.148  -2.054   4.921
   60    HA   LYS  10           HA       LYS  10  -8.464  -2.163   2.476
   61   1HB   LYS  10          1HB       LYS  10  -9.087  -4.152   3.348
   62   2HB   LYS  10          2HB       LYS  10  -8.292  -3.649   4.834
   63   1HG   LYS  10          1HG       LYS  10 -10.402  -2.700   5.667
   64   2HG   LYS  10          2HG       LYS  10 -11.210  -3.148   4.162
   65   1HD   LYS  10          1HD       LYS  10 -11.073  -5.449   4.638
   66   2HD   LYS  10          2HD       LYS  10  -9.772  -5.226   5.808
   67   1HE   LYS  10          1HE       LYS  10 -11.313  -4.190   7.392
   68   2HE   LYS  10          2HE       LYS  10 -12.621  -4.229   6.193
   69   1HZ   LYS  10          1HZ       LYS  10 -12.767  -6.504   6.309
   70   2HZ   LYS  10          2HZ       LYS  10 -12.320  -6.170   7.914
   71   3HZ   LYS  10          3HZ       LYS  10 -11.155  -6.704   6.799
   72    H    THR  11           H        THR  11  -9.678  -0.538   1.658
   73    HA   THR  11           HA       THR  11 -12.336   0.029   2.561
   74    HB   THR  11           HB       THR  11 -10.875   1.041   4.426
   75    HG1  THR  11           1HG      THR  11 -13.053   1.758   3.716
   76   1HG2  THR  11          1HG2      THR  11 -10.304   3.176   2.367
   77   2HG2  THR  11          2HG2      THR  11  -9.173   1.860   2.664
   78   3HG2  THR  11          3HG2      THR  11  -9.579   2.979   3.964
   79    H    THR  12           H        THR  12  -9.432   1.140   1.025
   80    HA   THR  12           HA       THR  12 -10.316   3.264  -0.536
   81    HB   THR  12           HB       THR  12  -8.230   1.146  -1.004
   82    HG1  THR  12           1HG      THR  12  -8.306   3.606   0.395
   83   1HG2  THR  12          1HG2      THR  12  -7.682   3.846  -1.893
   84   2HG2  THR  12          2HG2      THR  12  -9.109   3.172  -2.678
   85   3HG2  THR  12          3HG2      THR  12  -7.569   2.324  -2.773
   86    H    LYS  13           H        LYS  13  -9.143   0.779  -2.631
   87    HA   LYS  13           HA       LYS  13 -10.706   1.207  -4.785
   88   1HB   LYS  13          1HB       LYS  13 -10.092  -0.971  -5.494
   89   2HB   LYS  13          2HB       LYS  13  -8.848  -0.479  -4.357
   90   1HG   LYS  13          1HG       LYS  13 -11.263  -2.037  -3.459
   91   2HG   LYS  13          2HG       LYS  13  -9.818  -2.840  -4.077
   92   1HD   LYS  13          1HD       LYS  13  -8.481  -1.526  -2.398
   93   2HD   LYS  13          2HD       LYS  13 -10.011  -0.980  -1.697
   94   1HE   LYS  13          1HE       LYS  13  -9.183  -3.888  -2.020
   95   2HE   LYS  13          2HE       LYS  13  -9.160  -2.984  -0.497
   96   1HZ   LYS  13          1HZ       LYS  13 -11.515  -2.532  -0.788
   97   2HZ   LYS  13          2HZ       LYS  13 -11.237  -4.206  -0.771
   98   3HZ   LYS  13          3HZ       LYS  13 -11.531  -3.406  -2.240
   99    H    TYR  14           H        TYR  14 -11.871  -0.624  -1.932
  100    HA   TYR  14           HA       TYR  14 -14.351  -1.456  -3.126
  101   1HB   TYR  14          1HB       TYR  14 -13.073  -1.585  -0.621
  102   2HB   TYR  14          2HB       TYR  14 -14.563  -0.699  -0.326
  103    HD1  TYR  14           1HD      TYR  14 -13.124  -3.931  -0.790
  104    HD2  TYR  14           2HD      TYR  14 -16.745  -1.688  -1.338
  105    HE1  TYR  14           1HE      TYR  14 -14.413  -6.044  -0.909
  106    HE2  TYR  14           2HE      TYR  14 -18.036  -3.802  -1.455
  107    HH   TYR  14           HH       TYR  14 -16.602  -6.808  -1.899
  108    H    ARG  15           H        ARG  15 -13.455   1.376  -1.192
  109    HA   ARG  15           HA       ARG  15 -15.908   2.855  -1.960
  110   1HB   ARG  15          1HB       ARG  15 -13.531   3.230  -0.146
  111   2HB   ARG  15          2HB       ARG  15 -14.562   4.595  -0.528
  112   1HG   ARG  15          1HG       ARG  15 -16.064   3.882   1.004
  113   2HG   ARG  15          2HG       ARG  15 -16.226   2.353   0.138
  114   1HD   ARG  15          1HD       ARG  15 -13.829   2.799   1.908
  115   2HD   ARG  15          2HD       ARG  15 -15.377   2.320   2.631
  116    HE   ARG  15           HE       ARG  15 -13.965   0.764   0.479
  117   1HH1  ARG  15          1HH2      ARG  15 -14.067   0.026   3.482
  118   2HH1  ARG  15          2HH2      ARG  15 -15.282  -1.207   3.462
  119   1HH2  ARG  15          1HH1      ARG  15 -16.439  -0.385   0.297
  120   2HH2  ARG  15          2HH1      ARG  15 -16.626  -1.439   1.658
  121    H    ASN  16           H        ASN  16 -12.537   3.874  -1.756
  122    HA   ASN  16           HA       ASN  16 -12.447   5.876  -3.680
  123   1HB   ASN  16          1HB       ASN  16 -10.668   4.103  -2.231
  124   2HB   ASN  16          2HB       ASN  16 -10.025   4.442  -3.838
  125   1HD2  ASN  16          1HD2      ASN  16  -8.316   5.727  -2.776
  126   2HD2  ASN  16          2HD2      ASN  16  -8.655   7.297  -2.219
  127    HA   PRO  17           HA       PRO  17 -12.930   3.111  -7.231
  128   1HB   PRO  17          1HB       PRO  17 -14.542   4.797  -8.666
  129   2HB   PRO  17          2HB       PRO  17 -15.160   3.715  -7.402
  130   1HG   PRO  17          1HG       PRO  17 -14.845   6.629  -7.394
  131   2HG   PRO  17          2HG       PRO  17 -15.844   5.602  -6.358
  132   1HD   PRO  17          1HD       PRO  17 -13.279   6.791  -5.779
  133   2HD   PRO  17          2HD       PRO  17 -14.320   5.831  -4.706
  134    H    SER  18           H        SER  18 -10.891   5.399  -6.624
  135    HA   SER  18           HA       SER  18 -10.206   5.947  -9.492
  136   1HB   SER  18          1HB       SER  18  -9.661   7.918  -7.292
  137   2HB   SER  18          2HB       SER  18  -9.926   8.216  -9.008
  138    HG   SER  18           HG       SER  18 -11.741   8.793  -7.735
  139    H    LEU  19           H        LEU  19  -9.074   3.834  -7.846
  140    HA   LEU  19           HA       LEU  19  -6.243   4.641  -8.023
  141   1HB   LEU  19          1HB       LEU  19  -5.718   4.264  -5.732
  142   2HB   LEU  19          2HB       LEU  19  -7.161   5.271  -5.718
  143    HG   LEU  19           HG       LEU  19  -7.569   3.581  -4.117
  144   1HD1  LEU  19          1HD1      LEU  19  -9.519   2.557  -4.905
  145   2HD1  LEU  19          2HD1      LEU  19  -8.880   2.386  -6.538
  146   3HD1  LEU  19          3HD1      LEU  19  -9.347   3.976  -5.932
  147   1HD2  LEU  19          1HD2      LEU  19  -5.708   2.065  -5.298
  148   2HD2  LEU  19          2HD2      LEU  19  -7.147   1.264  -5.920
  149   3HD2  LEU  19          3HD2      LEU  19  -6.894   1.397  -4.184
  150    H    LYS  20           H        LYS  20  -4.942   2.601  -7.029
  151    HA   LYS  20           HA       LYS  20  -6.294   0.050  -7.609
  152   1HB   LYS  20          1HB       LYS  20  -4.243  -0.377  -9.242
  153   2HB   LYS  20          2HB       LYS  20  -5.668   0.485  -9.819
  154   1HG   LYS  20          1HG       LYS  20  -3.552   2.131  -8.536
  155   2HG   LYS  20          2HG       LYS  20  -3.177   1.456 -10.124
  156   1HD   LYS  20          1HD       LYS  20  -5.749   2.362 -10.482
  157   2HD   LYS  20          2HD       LYS  20  -5.094   3.569  -9.376
  158   1HE   LYS  20          1HE       LYS  20  -3.178   2.909 -11.476
  159   2HE   LYS  20          2HE       LYS  20  -4.710   3.508 -12.145
  160   1HZ   LYS  20          1HZ       LYS  20  -4.622   5.339 -10.557
  161   2HZ   LYS  20          2HZ       LYS  20  -3.231   5.339 -11.533
  162   3HZ   LYS  20          3HZ       LYS  20  -3.152   4.762  -9.936
  163    H    LEU  21           H        LEU  21  -3.969  -1.526  -7.777
  164    HA   LEU  21           HA       LEU  21  -2.771  -1.031  -5.078
  165   1HB   LEU  21          1HB       LEU  21  -3.616  -3.471  -6.636
  166   2HB   LEU  21          2HB       LEU  21  -2.468  -3.615  -5.307
  167    HG   LEU  21           HG       LEU  21  -4.056  -2.815  -3.717
  168   1HD1  LEU  21          1HD1      LEU  21  -5.087  -0.949  -4.761
  169   2HD1  LEU  21          2HD1      LEU  21  -6.395  -2.116  -4.601
  170   3HD1  LEU  21          3HD1      LEU  21  -5.592  -1.905  -6.155
  171   1HD2  LEU  21          1HD2      LEU  21  -4.556  -5.062  -5.292
  172   2HD2  LEU  21          2HD2      LEU  21  -6.117  -4.248  -5.189
  173   3HD2  LEU  21          3HD2      LEU  21  -5.267  -4.714  -3.716
  174    H    MET  22           H        MET  22  -0.527  -0.884  -4.975
  175    HA   MET  22           HA       MET  22   0.917  -1.354  -7.516
  176   1HB   MET  22          1HB       MET  22   2.304   0.026  -5.332
  177   2HB   MET  22          2HB       MET  22   2.125   0.510  -7.005
  178   1HG   MET  22          1HG       MET  22  -0.176   1.291  -6.529
  179   2HG   MET  22          2HG       MET  22   0.005   0.805  -4.849
  180   1HE   MET  22          1HE       MET  22   3.407   3.500  -6.137
  181   2HE   MET  22          2HE       MET  22   2.485   2.668  -7.387
  182   3HE   MET  22          3HE       MET  22   3.273   1.739  -6.117
  183    H    VAL  23           H        VAL  23   2.285  -3.025  -7.658
  184    HA   VAL  23           HA       VAL  23   2.713  -4.759  -5.312
  185    HB   VAL  23           HB       VAL  23   3.164  -4.842  -8.286
  186   1HG1  VAL  23          1HG1      VAL  23   4.115  -6.889  -6.265
  187   2HG1  VAL  23          2HG1      VAL  23   5.143  -5.901  -7.301
  188   3HG1  VAL  23          3HG1      VAL  23   4.093  -7.127  -8.010
  189   1HG2  VAL  23          1HG2      VAL  23   1.467  -6.446  -8.281
  190   2HG2  VAL  23          2HG2      VAL  23   0.952  -5.374  -6.979
  191   3HG2  VAL  23          3HG2      VAL  23   1.761  -6.895  -6.602
  192    H    ASN  24           H        ASN  24   5.064  -5.714  -5.164
  193    HA   ASN  24           HA       ASN  24   7.181  -3.792  -5.895
  194   1HB   ASN  24          1HB       ASN  24   7.789  -3.704  -3.380
  195   2HB   ASN  24          2HB       ASN  24   6.435  -2.719  -3.932
  196   1HD2  ASN  24          1HD2      ASN  24   5.489  -2.846  -1.725
  197   2HD2  ASN  24          2HD2      ASN  24   4.717  -4.266  -1.205
  198    H    VAL  25           H        VAL  25   8.886  -4.989  -6.456
  199    HA   VAL  25           HA       VAL  25  10.128  -6.998  -6.807
  200    HB   VAL  25           HB       VAL  25  11.545  -5.822  -5.421
  201   1HG1  VAL  25          1HG1      VAL  25  10.082  -4.555  -4.091
  202   2HG1  VAL  25          2HG1      VAL  25  10.959  -5.530  -2.913
  203   3HG1  VAL  25          3HG1      VAL  25   9.325  -5.984  -3.392
  204   1HG2  VAL  25          1HG2      VAL  25  11.176  -7.783  -3.258
  205   2HG2  VAL  25          2HG2      VAL  25  12.603  -7.432  -4.232
  206   3HG2  VAL  25          3HG2      VAL  25  11.343  -8.493  -4.863
  207    H    CYS  26           H        CYS  26   9.317  -7.807  -3.423
  208    HA   CYS  26           HA       CYS  26   8.919 -10.579  -4.085
  209   1HB   CYS  26          1HB       CYS  26   8.169 -10.661  -1.702
  210   2HB   CYS  26          2HB       CYS  26   9.684  -9.799  -1.938
  211    H    GLY  27           H        GLY  27   7.311  -9.665  -5.854
  212   1HA   GLY  27          1HA       GLY  27   5.075  -9.347  -6.599
  213   2HA   GLY  27          2HA       GLY  27   4.877 -10.860  -5.717
  214    H    HIS  28           H        HIS  28   3.401 -10.821  -4.112
  215    HA   HIS  28           HA       HIS  28   1.754  -9.932  -2.666
  216   1HB   HIS  28          1HB       HIS  28   4.244  -8.303  -2.098
  217   2HB   HIS  28          2HB       HIS  28   2.842  -8.355  -1.026
  218    HD2  HIS  28           2HD      HIS  28   2.307 -11.655  -1.556
  219    HE1  HIS  28           1HE      HIS  28   6.100 -12.125   0.210
  220    HE2  HIS  28           2HE      HIS  28   3.971 -13.321  -0.451
  221    H    THR  29           H        THR  29   1.593  -7.104  -1.810
  222    HA   THR  29           HA       THR  29   1.497  -5.347  -4.074
  223    HB   THR  29           HB       THR  29  -0.576  -7.392  -3.752
  224    HG1  THR  29           1HG      THR  29  -0.751  -7.018  -5.927
  225   1HG2  THR  29          1HG2      THR  29  -2.015  -5.663  -2.910
  226   2HG2  THR  29          2HG2      THR  29  -2.399  -5.806  -4.624
  227   3HG2  THR  29          3HG2      THR  29  -1.385  -4.481  -4.055
  228    H    LEU  30           H        LEU  30   0.165  -3.399  -3.641
  229    HA   LEU  30           HA       LEU  30  -0.835  -3.084  -0.880
  230   1HB   LEU  30          1HB       LEU  30   1.724  -2.654  -1.167
  231   2HB   LEU  30          2HB       LEU  30   1.239  -1.174  -1.949
  232    HG   LEU  30           HG       LEU  30   0.539  -0.232  -0.002
  233   1HD1  LEU  30          1HD1      LEU  30  -0.206  -3.031   0.884
  234   2HD1  LEU  30          2HD1      LEU  30  -1.279  -1.670   0.592
  235   3HD1  LEU  30          3HD1      LEU  30  -0.221  -1.669   2.002
  236   1HD2  LEU  30          1HD2      LEU  30   1.950  -1.827   1.857
  237   2HD2  LEU  30          2HD2      LEU  30   2.510  -0.365   1.045
  238   3HD2  LEU  30          3HD2      LEU  30   2.814  -1.944   0.324
  239    H    CYS  31           H        CYS  31  -2.785  -2.130  -1.231
  240    HA   CYS  31           HA       CYS  31  -3.723  -0.945  -3.560
  241   1HB   CYS  31          1HB       CYS  31  -5.552  -0.714  -2.261
  242   2HB   CYS  31          2HB       CYS  31  -4.599  -1.461  -1.012
  243    H    GLU  32           H        GLU  32  -4.389   1.553  -3.645
  244    HA   GLU  32           HA       GLU  32  -1.822   2.990  -3.671
  245   1HB   GLU  32          1HB       GLU  32  -2.921   4.218  -5.224
  246   2HB   GLU  32          2HB       GLU  32  -4.309   3.172  -4.981
  247   1HG   GLU  32          1HG       GLU  32  -3.813   5.575  -3.218
  248   2HG   GLU  32          2HG       GLU  32  -4.702   5.700  -4.733
  249    H    SER  33           H        SER  33  -4.782   3.048  -1.717
  250    HA   SER  33           HA       SER  33  -4.106   5.289  -0.078
  251   1HB   SER  33          1HB       SER  33  -5.819   2.796   0.375
  252   2HB   SER  33          2HB       SER  33  -5.741   4.151   1.507
  253    HG   SER  33           HG       SER  33  -6.725   5.440   0.130
  254    H    CYS  34           H        CYS  34  -2.694   2.115  -0.257
  255    HA   CYS  34           HA       CYS  34  -1.770   2.219   2.560
  256   1HB   CYS  34          1HB       CYS  34  -1.515   0.316   0.235
  257   2HB   CYS  34          2HB       CYS  34  -0.429   0.209   1.621
  258    H    VAL  35           H        VAL  35  -0.280   2.204  -0.690
  259    HA   VAL  35           HA       VAL  35   2.382   2.619  -0.043
  260    HB   VAL  35           HB       VAL  35   0.529   3.407  -2.247
  261   1HG1  VAL  35          1HG1      VAL  35   2.800   4.352  -3.320
  262   2HG1  VAL  35          2HG1      VAL  35   3.066   4.832  -1.645
  263   3HG1  VAL  35          3HG1      VAL  35   1.637   5.399  -2.508
  264   1HG2  VAL  35          1HG2      VAL  35   1.436   1.540  -3.065
  265   2HG2  VAL  35          2HG2      VAL  35   2.541   1.453  -1.697
  266   3HG2  VAL  35          3HG2      VAL  35   2.997   2.354  -3.142
  267    H    ASP  36           H        ASP  36  -0.311   4.761   0.494
  268    HA   ASP  36           HA       ASP  36   1.253   7.189   0.863
  269   1HB   ASP  36          1HB       ASP  36  -0.840   8.065   0.756
  270   2HB   ASP  36          2HB       ASP  36  -1.404   6.428   0.452
  271    H    LEU  37           H        LEU  37  -0.471   4.987   3.184
  272    HA   LEU  37           HA       LEU  37   0.877   6.331   5.438
  273   1HB   LEU  37          1HB       LEU  37  -1.222   4.227   5.018
  274   2HB   LEU  37          2HB       LEU  37  -0.476   4.397   6.608
  275    HG   LEU  37           HG       LEU  37  -1.289   6.947   5.367
  276   1HD1  LEU  37          1HD1      LEU  37  -3.272   4.759   5.980
  277   2HD1  LEU  37          2HD1      LEU  37  -3.203   5.813   4.569
  278   3HD1  LEU  37          3HD1      LEU  37  -3.718   6.458   6.128
  279   1HD2  LEU  37          1HD2      LEU  37  -0.588   7.031   7.624
  280   2HD2  LEU  37          2HD2      LEU  37  -1.492   5.577   8.049
  281   3HD2  LEU  37          3HD2      LEU  37  -2.348   7.086   7.734
  282    H    LEU  38           H        LEU  38   1.343   3.511   3.482
  283    HA   LEU  38           HA       LEU  38   2.823   1.884   5.331
  284   1HB   LEU  38          1HB       LEU  38   1.736   1.391   3.028
  285   2HB   LEU  38          2HB       LEU  38   3.207   2.062   2.335
  286    HG   LEU  38           HG       LEU  38   3.760  -0.190   2.414
  287   1HD1  LEU  38          1HD1      LEU  38   4.510   0.790   5.187
  288   2HD1  LEU  38          2HD1      LEU  38   5.454   1.026   3.717
  289   3HD1  LEU  38          3HD1      LEU  38   5.229  -0.596   4.367
  290   1HD2  LEU  38          1HD2      LEU  38   2.988  -1.754   4.089
  291   2HD2  LEU  38          2HD2      LEU  38   1.607  -0.792   3.565
  292   3HD2  LEU  38          3HD2      LEU  38   2.392  -0.441   5.105
  293    H    PHE  39           H        PHE  39   3.807   4.281   2.901
  294    HA   PHE  39           HA       PHE  39   6.643   4.004   3.619
  295   1HB   PHE  39          1HB       PHE  39   5.326   5.939   1.721
  296   2HB   PHE  39          2HB       PHE  39   6.971   5.300   1.644
  297    HD1  PHE  39           1HD      PHE  39   4.954   5.124  -0.636
  298    HD2  PHE  39           2HD      PHE  39   5.844   2.446   2.600
  299    HE1  PHE  39           1HE      PHE  39   4.125   3.213  -1.972
  300    HE2  PHE  39           2HE      PHE  39   5.004   0.542   1.268
  301    HZ   PHE  39           HZ       PHE  39   4.141   0.922  -1.015
  302    H    VAL  40           H        VAL  40   4.195   6.629   3.725
  303    HA   VAL  40           HA       VAL  40   5.819   8.703   4.681
  304    HB   VAL  40           HB       VAL  40   3.715   9.518   5.742
  305   1HG1  VAL  40          1HG1      VAL  40   3.609   8.257   3.009
  306   2HG1  VAL  40          2HG1      VAL  40   3.855   9.954   3.423
  307   3HG1  VAL  40          3HG1      VAL  40   2.268   9.214   3.639
  308   1HG2  VAL  40          1HG2      VAL  40   1.707   7.987   5.447
  309   2HG2  VAL  40          2HG2      VAL  40   2.836   7.536   6.723
  310   3HG2  VAL  40          3HG2      VAL  40   2.861   6.680   5.180
  311    H    ARG  41           H        ARG  41   4.890   5.763   6.302
  312    HA   ARG  41           HA       ARG  41   5.664   6.788   8.968
  313   1HB   ARG  41          1HB       ARG  41   4.906   3.990   8.096
  314   2HB   ARG  41          2HB       ARG  41   4.797   4.675   9.718
  315   1HG   ARG  41          1HG       ARG  41   3.284   5.856   7.380
  316   2HG   ARG  41          2HG       ARG  41   2.616   4.548   8.356
  317   1HD   ARG  41          1HD       ARG  41   3.726   6.922   9.809
  318   2HD   ARG  41          2HD       ARG  41   2.155   7.098   9.002
  319    HE   ARG  41           HE       ARG  41   1.282   5.686  10.688
  320   1HH1  ARG  41          1HH2      ARG  41   3.862   6.121  12.269
  321   2HH1  ARG  41          2HH2      ARG  41   4.328   4.485  12.596
  322   1HH2  ARG  41          1HH1      ARG  41   2.217   3.126  10.204
  323   2HH2  ARG  41          2HH1      ARG  41   3.397   2.789  11.426
  324    H    GLY  42           H        GLY  42   7.012   4.819   6.358
  325   1HA   GLY  42          1HA       GLY  42   9.648   4.954   7.576
  326   2HA   GLY  42          2HA       GLY  42   8.967   3.331   7.658
  327    H    ALA  43           H        ALA  43   7.587   3.384   5.120
  328    HA   ALA  43           HA       ALA  43   8.038   3.099   2.789
  329   1HB   ALA  43          1HB       ALA  43   9.523   5.316   3.687
  330   2HB   ALA  43          2HB       ALA  43   9.178   4.890   2.010
  331   3HB   ALA  43          3HB       ALA  43  10.667   4.332   2.774
  332    H    GLY  44           H        GLY  44   8.660   1.128   2.066
  333   1HA   GLY  44          1HA       GLY  44  10.372  -0.470   1.443
  334   2HA   GLY  44          2HA       GLY  44  11.372   0.130   2.767
  335    H    ASN  45           H        ASN  45   7.956  -0.935   2.746
  336    HA   ASN  45           HA       ASN  45   8.674  -3.300   4.391
  337   1HB   ASN  45          1HB       ASN  45   6.705  -1.210   5.352
  338   2HB   ASN  45          2HB       ASN  45   7.374  -2.561   6.268
  339   1HD2  ASN  45          1HD2      ASN  45   9.547  -2.337   7.113
  340   2HD2  ASN  45          2HD2      ASN  45  10.381  -0.859   7.077
  341    H    CYS  46           H        CYS  46   7.600  -4.856   3.224
  342    HA   CYS  46           HA       CYS  46   5.368  -4.533   1.524
  343   1HB   CYS  46          1HB       CYS  46   7.044  -6.538   2.153
  344   2HB   CYS  46          2HB       CYS  46   5.669  -7.021   3.139
  345    HA   PRO  47           HA       PRO  47   2.049  -3.944   4.371
  346   1HB   PRO  47          1HB       PRO  47   0.012  -4.709   2.705
  347   2HB   PRO  47          2HB       PRO  47   0.848  -3.158   2.568
  348   1HG   PRO  47          1HG       PRO  47   1.267  -5.683   1.024
  349   2HG   PRO  47          2HG       PRO  47   1.184  -4.017   0.433
  350   1HD   PRO  47          1HD       PRO  47   3.512  -5.310   0.807
  351   2HD   PRO  47          2HD       PRO  47   3.353  -3.562   1.052
  352    H    GLU  48           H        GLU  48   3.144  -6.894   3.123
  353    HA   GLU  48           HA       GLU  48   1.437  -8.391   5.070
  354   1HB   GLU  48          1HB       GLU  48   0.903 -10.005   3.432
  355   2HB   GLU  48          2HB       GLU  48   0.749  -8.468   2.587
  356   1HG   GLU  48          1HG       GLU  48   3.001  -8.748   1.631
  357   2HG   GLU  48          2HG       GLU  48   3.198 -10.263   2.515
  358    H    CYS  49           H        CYS  49   4.406  -8.616   3.022
  359    HA   CYS  49           HA       CYS  49   5.498 -10.498   5.080
  360   1HB   CYS  49          1HB       CYS  49   6.484 -11.623   3.341
  361   2HB   CYS  49          2HB       CYS  49   5.228 -10.827   2.402
  362    H    GLY  50           H        GLY  50   5.465  -7.428   5.079
  363   1HA   GLY  50          1HA       GLY  50   6.973  -5.663   5.483
  364   2HA   GLY  50          2HA       GLY  50   7.822  -6.886   6.428
  365    H    THR  51           H        THR  51   9.617  -7.934   5.479
  366    HA   THR  51           HA       THR  51  11.526  -8.089   4.103
  367    HB   THR  51           HB       THR  51   9.251  -7.468   2.212
  368    HG1  THR  51           1HG      THR  51   9.691  -9.546   3.379
  369   1HG2  THR  51          1HG2      THR  51  12.069  -8.207   1.387
  370   2HG2  THR  51          2HG2      THR  51  11.425  -6.568   1.297
  371   3HG2  THR  51          3HG2      THR  51  10.706  -7.852   0.327
  372    HA   PRO  52           HA       PRO  52  12.986  -3.931   3.986
  373   1HB   PRO  52          1HB       PRO  52  15.425  -4.405   2.829
  374   2HB   PRO  52          2HB       PRO  52  15.067  -4.787   4.525
  375   1HG   PRO  52          1HG       PRO  52  15.180  -6.572   2.143
  376   2HG   PRO  52          2HG       PRO  52  15.687  -6.882   3.810
  377   1HD   PRO  52          1HD       PRO  52  13.336  -7.785   2.695
  378   2HD   PRO  52          2HD       PRO  52  13.593  -7.549   4.436
  379    H    LEU  53           H        LEU  53  11.285  -3.448   2.283
  380    HA   LEU  53           HA       LEU  53  11.791  -3.832  -0.519
  381   1HB   LEU  53          1HB       LEU  53   9.984  -2.271   1.267
  382   2HB   LEU  53          2HB       LEU  53  10.094  -1.742  -0.414
  383    HG   LEU  53           HG       LEU  53   8.289  -3.501   0.135
  384   1HD1  LEU  53          1HD1      LEU  53  10.390  -4.030  -1.973
  385   2HD1  LEU  53          2HD1      LEU  53   8.958  -3.018  -2.143
  386   3HD1  LEU  53          3HD1      LEU  53   8.786  -4.764  -1.958
  387   1HD2  LEU  53          1HD2      LEU  53   8.929  -5.724   0.544
  388   2HD2  LEU  53          2HD2      LEU  53  10.072  -4.813   1.530
  389   3HD2  LEU  53          3HD2      LEU  53  10.573  -5.456  -0.033
  390    H    ARG  54           H        ARG  54  14.229  -3.009   0.128
  391    HA   ARG  54           HA       ARG  54  15.861  -1.296  -0.064
  392   1HB   ARG  54          1HB       ARG  54  13.875  -1.132  -2.298
  393   2HB   ARG  54          2HB       ARG  54  15.125   0.111  -2.205
  394   1HG   ARG  54          1HG       ARG  54  16.629  -1.325  -3.068
  395   2HG   ARG  54          2HG       ARG  54  16.343  -2.442  -1.733
  396   1HD   ARG  54          1HD       ARG  54  14.271  -2.369  -3.883
  397   2HD   ARG  54          2HD       ARG  54  15.825  -3.128  -4.283
  398    HE   ARG  54           HE       ARG  54  13.846  -4.220  -2.490
  399   1HH1  ARG  54          1HH2      ARG  54  16.958  -4.575  -3.694
  400   2HH1  ARG  54          2HH2      ARG  54  17.541  -5.557  -2.391
  401   1HH2  ARG  54          1HH1      ARG  54  14.704  -5.126  -0.445
  402   2HH2  ARG  54          2HH1      ARG  54  16.264  -5.870  -0.553
  403    H    LYS  55           H        LYS  55  13.442   0.857  -1.369
  404    HA   LYS  55           HA       LYS  55  13.278   2.347   1.209
  405   1HB   LYS  55          1HB       LYS  55  13.767   4.423  -0.283
  406   2HB   LYS  55          2HB       LYS  55  15.122   3.397   0.181
  407   1HG   LYS  55          1HG       LYS  55  15.352   3.806  -2.172
  408   2HG   LYS  55          2HG       LYS  55  14.777   2.149  -2.013
  409   1HD   LYS  55          1HD       LYS  55  13.572   3.503  -3.770
  410   2HD   LYS  55          2HD       LYS  55  12.512   2.820  -2.538
  411   1HE   LYS  55          1HE       LYS  55  12.110   5.294  -3.115
  412   2HE   LYS  55          2HE       LYS  55  12.355   4.946  -1.392
  413   1HZ   LYS  55          1HZ       LYS  55  13.767   6.786  -2.505
  414   2HZ   LYS  55          2HZ       LYS  55  14.649   5.496  -3.174
  415   3HZ   LYS  55          3HZ       LYS  55  14.545   5.674  -1.488
  416    H    SER  56           H        SER  56  11.629   0.972  -1.281
  417    HA   SER  56           HA       SER  56   9.101   1.947  -0.700
  418   1HB   SER  56          1HB       SER  56  10.769   3.793  -2.304
  419   2HB   SER  56          2HB       SER  56   9.132   3.554  -2.911
  420    HG   SER  56           HG       SER  56   9.933   4.977  -0.796
  421    H    ASN  57           H        ASN  57  10.118   2.330  -4.027
  422    HA   ASN  57           HA       ASN  57   9.411   1.213  -5.967
  423   1HB   ASN  57          1HB       ASN  57  10.031  -1.366  -5.648
  424   2HB   ASN  57          2HB       ASN  57  11.274  -0.121  -5.745
  425   1HD2  ASN  57          1HD2      ASN  57   9.935  -2.591  -3.756
  426   2HD2  ASN  57          2HD2      ASN  57  10.865  -2.273  -2.368
  427    H    PHE  58           H        PHE  58   7.159   1.498  -5.986
  428    HA   PHE  58           HA       PHE  58   5.582  -0.955  -5.318
  429   1HB   PHE  58          1HB       PHE  58   4.590   1.888  -4.848
  430   2HB   PHE  58          2HB       PHE  58   3.824   0.402  -4.309
  431    HD1  PHE  58           1HD      PHE  58   5.023  -1.105  -2.710
  432    HD2  PHE  58           2HD      PHE  58   6.261   2.927  -3.495
  433    HE1  PHE  58           1HE      PHE  58   6.317  -1.106  -0.606
  434    HE2  PHE  58           2HE      PHE  58   7.577   2.927  -1.395
  435    HZ   PHE  58           HZ       PHE  58   7.618   0.908   0.049
  436    H    ARG  59           H        ARG  59   4.996  -1.640  -7.326
  437    HA   ARG  59           HA       ARG  59   4.592   0.327  -9.509
  438   1HB   ARG  59          1HB       ARG  59   4.298  -1.963 -10.774
  439   2HB   ARG  59          2HB       ARG  59   5.894  -1.468 -10.226
  440   1HG   ARG  59          1HG       ARG  59   5.838  -2.944  -8.363
  441   2HG   ARG  59          2HG       ARG  59   4.093  -3.181  -8.509
  442   1HD   ARG  59          1HD       ARG  59   4.754  -5.118  -9.581
  443   2HD   ARG  59          2HD       ARG  59   4.916  -4.030 -10.975
  444    HE   ARG  59           HE       ARG  59   7.109  -5.230  -9.492
  445   1HH1  ARG  59          1HH2      ARG  59   7.477  -2.283  -9.031
  446   2HH1  ARG  59          2HH2      ARG  59   8.441  -1.826 -10.396
  447   1HH2  ARG  59          1HH1      ARG  59   7.742  -4.708 -12.194
  448   2HH2  ARG  59          2HH1      ARG  59   8.590  -3.197 -12.186
  449    H    VAL  60           H        VAL  60   2.608   1.242  -9.348
  450    HA   VAL  60           HA       VAL  60   0.212  -0.259  -8.550
  451    HB   VAL  60           HB       VAL  60   0.809   2.080  -7.881
  452   1HG1  VAL  60          1HG1      VAL  60   0.497   3.864  -9.542
  453   2HG1  VAL  60          2HG1      VAL  60   0.138   2.665 -10.784
  454   3HG1  VAL  60          3HG1      VAL  60   1.752   2.748 -10.079
  455   1HG2  VAL  60          1HG2      VAL  60  -1.702   1.031  -8.749
  456   2HG2  VAL  60          2HG2      VAL  60  -1.643   2.730  -9.216
  457   3HG2  VAL  60          3HG2      VAL  60  -1.408   2.270  -7.529
  458    H    GLN  61           H        GLN  61  -1.381  -0.975  -9.864
  459    HA   GLN  61           HA       GLN  61  -1.728  -0.051 -12.621
  460   1HB   GLN  61          1HB       GLN  61  -1.011  -2.078 -13.682
  461   2HB   GLN  61          2HB       GLN  61   0.269  -1.673 -12.537
  462   1HG   GLN  61          1HG       GLN  61  -1.511  -3.179 -11.019
  463   2HG   GLN  61          2HG       GLN  61  -1.521  -3.989 -12.585
  464   1HE2  GLN  61          1HE2      GLN  61  -0.374  -5.425 -10.535
  465   2HE2  GLN  61          2HE2      GLN  61   1.319  -5.432 -10.672
  466    H    LEU  62           H        LEU  62  -3.552  -1.436 -13.661
  467    HA   LEU  62           HA       LEU  62  -5.183  -3.238 -12.184
  468   1HB   LEU  62          1HB       LEU  62  -5.150  -0.691 -11.086
  469   2HB   LEU  62          2HB       LEU  62  -6.632  -0.692 -12.036
  470    HG   LEU  62           HG       LEU  62  -7.221  -2.895 -10.927
  471   1HD1  LEU  62          1HD1      LEU  62  -4.893  -2.113  -9.156
  472   2HD1  LEU  62          2HD1      LEU  62  -4.951  -3.519 -10.213
  473   3HD1  LEU  62          3HD1      LEU  62  -6.025  -3.416  -8.817
  474   1HD2  LEU  62          1HD2      LEU  62  -7.363  -0.225  -9.909
  475   2HD2  LEU  62          2HD2      LEU  62  -7.085  -1.310  -8.547
  476   3HD2  LEU  62          3HD2      LEU  62  -8.471  -1.563  -9.605
  477    H    PHE  63           H        PHE  63  -6.203  -0.225 -13.812
  478    HA   PHE  63           HA       PHE  63  -7.982  -1.651 -15.614
  479   1HB   PHE  63          1HB       PHE  63  -8.134   0.720 -14.620
  480   2HB   PHE  63          2HB       PHE  63  -6.968   1.188 -15.857
  481    HD1  PHE  63           1HD      PHE  63  -7.901   2.130 -17.763
  482    HD2  PHE  63           2HD      PHE  63 -10.065  -0.941 -15.681
  483    HE1  PHE  63           1HE      PHE  63  -9.733   2.294 -19.426
  484    HE2  PHE  63           2HE      PHE  63 -11.898  -0.777 -17.345
  485    HZ   PHE  63           HZ       PHE  63 -11.732   0.840 -19.218
  486    H    GLU  64           H        GLU  64  -7.789  -1.200 -18.061
  487    HA   GLU  64           HA       GLU  64  -6.597  -1.613 -20.059
  488   1HB   GLU  64          1HB       GLU  64  -5.873   0.655 -19.600
  489   2HB   GLU  64          2HB       GLU  64  -4.683   0.084 -18.428
  490   1HG   GLU  64          1HG       GLU  64  -3.489  -1.108 -20.239
  491   2HG   GLU  64          2HG       GLU  64  -4.674  -0.515 -21.404
  492    H    ASP  65           H        ASP  65  -3.637  -1.469 -18.166
  493    HA   ASP  65           HA       ASP  65  -3.255  -4.404 -18.661
  494   1HB   ASP  65          1HB       ASP  65  -0.789  -3.661 -18.596
  495   2HB   ASP  65          2HB       ASP  65  -1.735  -3.127 -19.985
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1 -10.293  -4.994  -8.729
    2   2H    MET   1          2HT       MET   1 -11.951  -5.289  -8.500
    3   3H    MET   1          3HT       MET   1 -10.929  -6.534  -9.041
    4    HA   MET   1           HA       MET   1 -11.032  -7.116  -6.848
    5   1HB   MET   1          1HB       MET   1  -8.951  -4.912  -6.812
    6   2HB   MET   1          2HB       MET   1  -8.917  -6.434  -5.921
    7   1HG   MET   1          1HG       MET   1  -7.711  -7.256  -7.650
    8   2HG   MET   1          2HG       MET   1  -9.215  -7.229  -8.571
    9   1HE   MET   1          1HE       MET   1  -6.109  -7.026  -9.295
   10   2HE   MET   1          2HE       MET   1  -5.659  -5.764  -8.150
   11   3HE   MET   1          3HE       MET   1  -5.551  -5.452  -9.881
   12    H    ASP   2           H        ASP   2 -11.216  -6.395  -4.526
   13    HA   ASP   2           HA       ASP   2 -11.789  -3.717  -3.730
   14   1HB   ASP   2          1HB       ASP   2 -14.350  -4.058  -3.670
   15   2HB   ASP   2          2HB       ASP   2 -13.625  -3.744  -5.247
   16    H    ASP   3           H        ASP   3 -12.730  -7.130  -3.323
   17    HA   ASP   3           HA       ASP   3 -13.032  -6.720  -0.391
   18   1HB   ASP   3          1HB       ASP   3 -14.370  -8.200  -2.305
   19   2HB   ASP   3          2HB       ASP   3 -13.346  -9.414  -1.536
   20    H    GLN   4           H        GLN   4 -11.063  -8.516  -2.747
   21    HA   GLN   4           HA       GLN   4  -9.220  -9.305  -0.515
   22   1HB   GLN   4          1HB       GLN   4 -10.376 -11.120  -1.773
   23   2HB   GLN   4          2HB       GLN   4  -9.655 -10.518  -3.266
   24   1HG   GLN   4          1HG       GLN   4  -7.427 -10.745  -1.752
   25   2HG   GLN   4          2HG       GLN   4  -8.407 -12.017  -1.020
   26   1HE2  GLN   4          1HE2      GLN   4  -9.837 -12.915  -3.314
   27   2HE2  GLN   4          2HE2      GLN   4  -8.736 -13.591  -4.416
   28    H    GLY   5           H        GLY   5  -8.920  -6.711  -1.492
   29   1HA   GLY   5          1HA       GLY   5  -6.491  -6.962  -3.220
   30   2HA   GLY   5          2HA       GLY   5  -7.617  -5.614  -3.373
   31    H    CYS   6           H        CYS   6  -7.457  -3.899  -1.894
   32    HA   CYS   6           HA       CYS   6  -5.046  -3.238  -0.704
   33   1HB   CYS   6          1HB       CYS   6  -6.683  -1.537  -0.913
   34   2HB   CYS   6          2HB       CYS   6  -7.932  -2.546  -0.188
   35    HA   PRO   7           HA       PRO   7  -5.169  -6.091   2.755
   36   1HB   PRO   7          1HB       PRO   7  -2.461  -6.171   3.086
   37   2HB   PRO   7          2HB       PRO   7  -3.319  -7.077   1.825
   38   1HG   PRO   7          1HG       PRO   7  -1.574  -4.743   1.591
   39   2HG   PRO   7          2HG       PRO   7  -2.109  -5.874   0.344
   40   1HD   PRO   7          1HD       PRO   7  -3.126  -3.230   0.959
   41   2HD   PRO   7          2HD       PRO   7  -3.535  -4.295  -0.403
   42    H    ARG   8           H        ARG   8  -3.154  -3.086   2.821
   43    HA   ARG   8           HA       ARG   8  -3.076  -3.172   5.768
   44   1HB   ARG   8          1HB       ARG   8  -1.156  -2.520   4.288
   45   2HB   ARG   8          2HB       ARG   8  -2.045  -1.064   3.855
   46   1HG   ARG   8          1HG       ARG   8  -1.908  -0.167   6.004
   47   2HG   ARG   8          2HG       ARG   8  -1.558  -1.735   6.739
   48   1HD   ARG   8          1HD       ARG   8   0.642  -1.734   5.484
   49   2HD   ARG   8          2HD       ARG   8   0.284  -0.072   4.979
   50    HE   ARG   8           HE       ARG   8   1.324  -0.742   7.516
   51   1HH1  ARG   8          1HH1      ARG   8  -0.833   1.384   5.954
   52   2HH1  ARG   8          2HH1      ARG   8  -1.296   2.218   7.399
   53   1HH2  ARG   8          1HH2      ARG   8   0.477   0.111   9.504
   54   2HH2  ARG   8          2HH2      ARG   8  -0.554   1.499   9.407
   55    H    CYS   9           H        CYS   9  -4.704  -1.126   3.303
   56    HA   CYS   9           HA       CYS   9  -6.232   0.045   5.595
   57   1HB   CYS   9          1HB       CYS   9  -5.847   2.213   4.792
   58   2HB   CYS   9          2HB       CYS   9  -4.308   1.410   4.539
   59    H    LYS  10           H        LYS  10  -7.559  -1.858   4.734
   60    HA   LYS  10           HA       LYS  10  -8.927  -2.582   2.684
   61   1HB   LYS  10          1HB       LYS  10 -10.847  -2.852   4.014
   62   2HB   LYS  10          2HB       LYS  10  -9.533  -2.702   5.179
   63   1HG   LYS  10          1HG       LYS  10 -10.050  -0.293   5.435
   64   2HG   LYS  10          2HG       LYS  10 -11.382  -0.464   4.293
   65   1HD   LYS  10          1HD       LYS  10 -12.392  -0.638   6.440
   66   2HD   LYS  10          2HD       LYS  10 -12.264  -2.302   5.867
   67   1HE   LYS  10          1HE       LYS  10  -9.935  -2.255   7.102
   68   2HE   LYS  10          2HE       LYS  10 -10.656  -0.898   7.991
   69   1HZ   LYS  10          1HZ       LYS  10 -11.535  -2.590   9.203
   70   2HZ   LYS  10          2HZ       LYS  10 -11.416  -3.718   7.937
   71   3HZ   LYS  10          3HZ       LYS  10 -12.692  -2.596   7.962
   72    H    THR  11           H        THR  11  -9.532   0.810   3.758
   73    HA   THR  11           HA       THR  11 -11.659   1.595   2.252
   74    HB   THR  11           HB       THR  11 -10.639   3.297   3.438
   75    HG1  THR  11           1HG      THR  11 -11.065   4.411   1.686
   76   1HG2  THR  11          1HG2      THR  11  -8.502   2.324   3.861
   77   2HG2  THR  11          2HG2      THR  11  -8.195   3.876   3.086
   78   3HG2  THR  11          3HG2      THR  11  -8.064   2.387   2.158
   79    H    THR  12           H        THR  12  -8.805   2.705   0.639
   80    HA   THR  12           HA       THR  12  -8.514   2.978  -1.675
   81    HB   THR  12           HB       THR  12  -7.290   1.038  -0.569
   82    HG1  THR  12           1HG      THR  12  -6.835   1.941  -2.677
   83   1HG2  THR  12          1HG2      THR  12  -9.677  -0.268  -1.660
   84   2HG2  THR  12          2HG2      THR  12  -8.613  -0.773  -0.362
   85   3HG2  THR  12          3HG2      THR  12  -8.163  -1.076  -2.039
   86    H    LYS  13           H        LYS  13  -8.981   0.687  -3.484
   87    HA   LYS  13           HA       LYS  13 -11.092   1.500  -4.995
   88   1HB   LYS  13          1HB       LYS  13 -10.665  -0.438  -6.155
   89   2HB   LYS  13          2HB       LYS  13  -9.258  -0.375  -5.126
   90   1HG   LYS  13          1HG       LYS  13 -11.675  -1.822  -4.112
   91   2HG   LYS  13          2HG       LYS  13 -10.656  -2.600  -5.317
   92   1HD   LYS  13          1HD       LYS  13  -8.739  -1.682  -3.674
   93   2HD   LYS  13          2HD       LYS  13 -10.044  -1.879  -2.494
   94   1HE   LYS  13          1HE       LYS  13  -9.964  -4.179  -4.247
   95   2HE   LYS  13          2HE       LYS  13  -8.364  -3.910  -3.528
   96   1HZ   LYS  13          1HZ       LYS  13 -10.850  -3.698  -1.933
   97   2HZ   LYS  13          2HZ       LYS  13  -9.260  -3.928  -1.384
   98   3HZ   LYS  13          3HZ       LYS  13 -10.086  -5.195  -2.156
   99    H    TYR  14           H        TYR  14 -11.490  -0.757  -2.208
  100    HA   TYR  14           HA       TYR  14 -14.282  -1.171  -2.671
  101   1HB   TYR  14          1HB       TYR  14 -12.571  -2.237  -0.983
  102   2HB   TYR  14          2HB       TYR  14 -13.093  -0.937   0.074
  103    HD1  TYR  14           1HD      TYR  14 -14.457  -1.997   1.699
  104    HD2  TYR  14           2HD      TYR  14 -15.060  -2.834  -2.469
  105    HE1  TYR  14           1HE      TYR  14 -16.504  -3.278   2.253
  106    HE2  TYR  14           2HE      TYR  14 -17.107  -4.115  -1.915
  107    HH   TYR  14           HH       TYR  14 -17.851  -5.426   0.523
  108    H    ARG  15           H        ARG  15 -12.538   1.244  -0.755
  109    HA   ARG  15           HA       ARG  15 -14.968   2.930  -0.449
  110   1HB   ARG  15          1HB       ARG  15 -12.170   2.751   0.610
  111   2HB   ARG  15          2HB       ARG  15 -12.964   4.313   0.668
  112   1HG   ARG  15          1HG       ARG  15 -13.252   2.794   2.728
  113   2HG   ARG  15          2HG       ARG  15 -14.723   3.487   2.048
  114   1HD   ARG  15          1HD       ARG  15 -15.132   1.119   2.459
  115   2HD   ARG  15          2HD       ARG  15 -14.987   1.333   0.705
  116    HE   ARG  15           HE       ARG  15 -12.618   0.548   0.919
  117   1HH1  ARG  15          1HH1      ARG  15 -14.059   0.774   3.980
  118   2HH1  ARG  15          2HH1      ARG  15 -13.430  -0.728   4.567
  119   1HH2  ARG  15          1HH2      ARG  15 -12.101  -1.674   1.508
  120   2HH2  ARG  15          2HH2      ARG  15 -12.326  -2.115   3.167
  121    H    ASN  16           H        ASN  16 -11.649   3.807  -1.105
  122    HA   ASN  16           HA       ASN  16 -11.915   6.032  -2.739
  123   1HB   ASN  16          1HB       ASN  16 -10.005   4.046  -1.935
  124   2HB   ASN  16          2HB       ASN  16  -9.728   4.407  -3.623
  125   1HD2  ASN  16          1HD2      ASN  16  -7.652   5.405  -2.618
  126   2HD2  ASN  16          2HD2      ASN  16  -7.745   7.005  -2.057
  127    HA   PRO  17           HA       PRO  17 -13.265   4.130  -6.551
  128   1HB   PRO  17          1HB       PRO  17 -13.485   6.467  -7.959
  129   2HB   PRO  17          2HB       PRO  17 -14.626   6.004  -6.682
  130   1HG   PRO  17          1HG       PRO  17 -12.619   8.116  -6.697
  131   2HG   PRO  17          2HG       PRO  17 -13.935   7.836  -5.550
  132   1HD   PRO  17          1HD       PRO  17 -11.098   7.123  -5.332
  133   2HD   PRO  17          2HD       PRO  17 -12.348   7.185  -4.068
  134    H    SER  18           H        SER  18 -11.024   6.869  -7.187
  135    HA   SER  18           HA       SER  18  -9.880   5.428  -9.487
  136   1HB   SER  18          1HB       SER  18  -9.813   8.161  -8.280
  137   2HB   SER  18          2HB       SER  18  -8.516   7.712  -9.384
  138    HG   SER  18           HG       SER  18 -10.481   8.668 -10.335
  139    H    LEU  19           H        LEU  19  -8.994   3.731  -7.798
  140    HA   LEU  19           HA       LEU  19  -6.275   4.648  -6.919
  141   1HB   LEU  19          1HB       LEU  19  -6.538   2.837  -5.168
  142   2HB   LEU  19          2HB       LEU  19  -7.618   4.207  -5.007
  143    HG   LEU  19           HG       LEU  19  -8.588   1.853  -4.750
  144   1HD1  LEU  19          1HD1      LEU  19 -10.361   3.171  -4.792
  145   2HD1  LEU  19          2HD1      LEU  19 -10.480   2.881  -6.522
  146   3HD1  LEU  19          3HD1      LEU  19  -9.595   4.284  -5.918
  147   1HD2  LEU  19          1HD2      LEU  19  -9.384   0.796  -6.813
  148   2HD2  LEU  19          2HD2      LEU  19  -7.625   0.863  -6.795
  149   3HD2  LEU  19          3HD2      LEU  19  -8.542   2.005  -7.773
  150    H    LYS  20           H        LYS  20  -5.607   1.843  -6.239
  151    HA   LYS  20           HA       LYS  20  -5.848  -0.009  -8.305
  152   1HB   LYS  20          1HB       LYS  20  -3.551   0.565  -9.442
  153   2HB   LYS  20          2HB       LYS  20  -4.971   1.500  -9.902
  154   1HG   LYS  20          1HG       LYS  20  -3.702   2.665  -7.569
  155   2HG   LYS  20          2HG       LYS  20  -2.544   2.503  -8.890
  156   1HD   LYS  20          1HD       LYS  20  -4.834   3.422 -10.160
  157   2HD   LYS  20          2HD       LYS  20  -4.829   4.310  -8.636
  158   1HE   LYS  20          1HE       LYS  20  -2.355   4.089 -10.375
  159   2HE   LYS  20          2HE       LYS  20  -3.529   5.409 -10.552
  160   1HZ   LYS  20          1HZ       LYS  20  -3.021   6.240  -8.510
  161   2HZ   LYS  20          2HZ       LYS  20  -1.523   5.499  -8.819
  162   3HZ   LYS  20          3HZ       LYS  20  -2.675   4.720  -7.843
  163    H    LEU  21           H        LEU  21  -3.671  -1.464  -8.338
  164    HA   LEU  21           HA       LEU  21  -2.611  -1.446  -5.522
  165   1HB   LEU  21          1HB       LEU  21  -3.800  -3.562  -7.281
  166   2HB   LEU  21          2HB       LEU  21  -2.583  -4.039  -6.098
  167    HG   LEU  21           HG       LEU  21  -3.914  -2.975  -4.307
  168   1HD1  LEU  21          1HD1      LEU  21  -6.420  -2.567  -5.297
  169   2HD1  LEU  21          2HD1      LEU  21  -5.443  -2.034  -6.664
  170   3HD1  LEU  21          3HD1      LEU  21  -5.235  -1.279  -5.084
  171   1HD2  LEU  21          1HD2      LEU  21  -4.297  -5.391  -5.218
  172   2HD2  LEU  21          2HD2      LEU  21  -5.799  -4.733  -5.867
  173   3HD2  LEU  21          3HD2      LEU  21  -5.502  -4.702  -4.130
  174    H    MET  22           H        MET  22  -0.375  -1.439  -5.401
  175    HA   MET  22           HA       MET  22   1.139  -1.764  -7.920
  176   1HB   MET  22          1HB       MET  22   2.735  -1.325  -5.547
  177   2HB   MET  22          2HB       MET  22   2.577  -0.302  -6.962
  178   1HG   MET  22          1HG       MET  22   0.256   0.329  -5.850
  179   2HG   MET  22          2HG       MET  22   1.074  -0.194  -4.381
  180   1HE   MET  22          1HE       MET  22   0.879   3.599  -4.395
  181   2HE   MET  22          2HE       MET  22  -0.177   2.238  -4.763
  182   3HE   MET  22          3HE       MET  22   0.405   3.271  -6.066
  183    H    VAL  23           H        VAL  23   3.324  -2.940  -7.582
  184    HA   VAL  23           HA       VAL  23   2.947  -5.407  -5.933
  185    HB   VAL  23           HB       VAL  23   3.153  -5.005  -8.853
  186   1HG1  VAL  23          1HG1      VAL  23   4.956  -6.926  -7.396
  187   2HG1  VAL  23          2HG1      VAL  23   5.312  -5.924  -8.803
  188   3HG1  VAL  23          3HG1      VAL  23   4.307  -7.362  -8.977
  189   1HG2  VAL  23          1HG2      VAL  23   2.063  -7.278  -8.786
  190   2HG2  VAL  23          2HG2      VAL  23   1.199  -6.035  -7.882
  191   3HG2  VAL  23          3HG2      VAL  23   2.188  -7.219  -7.027
  192    H    ASN  24           H        ASN  24   4.913  -6.097  -4.974
  193    HA   ASN  24           HA       ASN  24   7.259  -4.326  -5.550
  194   1HB   ASN  24          1HB       ASN  24   7.785  -5.216  -3.084
  195   2HB   ASN  24          2HB       ASN  24   6.740  -3.828  -3.372
  196   1HD2  ASN  24          1HD2      ASN  24   4.765  -3.944  -2.306
  197   2HD2  ASN  24          2HD2      ASN  24   3.988  -5.380  -1.842
  198    H    VAL  25           H        VAL  25   9.359  -5.350  -4.892
  199    HA   VAL  25           HA       VAL  25  10.292  -7.303  -6.481
  200    HB   VAL  25           HB       VAL  25  11.782  -6.182  -5.061
  201   1HG1  VAL  25          1HG1      VAL  25  11.119  -5.468  -3.039
  202   2HG1  VAL  25          2HG1      VAL  25  11.187  -7.121  -2.433
  203   3HG1  VAL  25          3HG1      VAL  25   9.693  -6.500  -3.130
  204   1HG2  VAL  25          1HG2      VAL  25  11.884  -8.668  -3.467
  205   2HG2  VAL  25          2HG2      VAL  25  13.140  -7.892  -4.430
  206   3HG2  VAL  25          3HG2      VAL  25  11.913  -8.884  -5.217
  207    H    CYS  26           H        CYS  26   9.396  -8.334  -3.126
  208    HA   CYS  26           HA       CYS  26   9.468 -11.077  -3.552
  209   1HB   CYS  26          1HB       CYS  26   7.557 -11.074  -1.791
  210   2HB   CYS  26          2HB       CYS  26   9.081 -10.304  -1.361
  211    H    GLY  27           H        GLY  27   6.570  -9.003  -4.104
  212   1HA   GLY  27          1HA       GLY  27   5.572  -9.728  -6.427
  213   2HA   GLY  27          2HA       GLY  27   5.395 -11.284  -5.620
  214    H    HIS  28           H        HIS  28   4.864  -9.473  -3.076
  215    HA   HIS  28           HA       HIS  28   2.027  -9.756  -3.089
  216   1HB   HIS  28          1HB       HIS  28   3.931  -8.045  -1.470
  217   2HB   HIS  28          2HB       HIS  28   2.236  -8.287  -1.047
  218    HD2  HIS  28           2HD      HIS  28   1.824 -11.424  -1.370
  219    HE1  HIS  28           1HE      HIS  28   5.385 -11.974   0.822
  220    HE2  HIS  28           2HE      HIS  28   3.270 -13.106  -0.001
  221    H    THR  29           H        THR  29   1.554  -6.896  -2.041
  222    HA   THR  29           HA       THR  29   1.935  -5.145  -4.320
  223    HB   THR  29           HB       THR  29  -0.312  -7.044  -4.162
  224    HG1  THR  29           1HG      THR  29  -0.273  -6.278  -6.480
  225   1HG2  THR  29          1HG2      THR  29  -1.490  -4.921  -3.574
  226   2HG2  THR  29          2HG2      THR  29  -1.984  -5.554  -5.144
  227   3HG2  THR  29          3HG2      THR  29  -0.865  -4.196  -5.055
  228    H    LEU  30           H        LEU  30   0.514  -3.135  -4.106
  229    HA   LEU  30           HA       LEU  30  -0.475  -2.680  -1.315
  230   1HB   LEU  30          1HB       LEU  30   2.011  -1.907  -2.219
  231   2HB   LEU  30          2HB       LEU  30   1.058  -0.459  -2.485
  232    HG   LEU  30           HG       LEU  30   0.363  -0.465  -0.165
  233   1HD1  LEU  30          1HD1      LEU  30   1.584  -2.209   1.326
  234   2HD1  LEU  30          2HD1      LEU  30   1.716  -3.119  -0.179
  235   3HD1  LEU  30          3HD1      LEU  30   0.126  -2.691   0.457
  236   1HD2  LEU  30          1HD2      LEU  30   3.078  -0.237  -1.012
  237   2HD2  LEU  30          2HD2      LEU  30   3.059  -0.918   0.611
  238   3HD2  LEU  30          3HD2      LEU  30   2.274   0.627   0.293
  239    H    CYS  31           H        CYS  31  -2.593  -2.050  -1.681
  240    HA   CYS  31           HA       CYS  31  -3.703  -1.034  -4.056
  241   1HB   CYS  31          1HB       CYS  31  -5.559  -1.004  -2.726
  242   2HB   CYS  31          2HB       CYS  31  -4.505  -1.661  -1.492
  243    H    GLU  32           H        GLU  32  -4.667   1.439  -4.053
  244    HA   GLU  32           HA       GLU  32  -2.271   3.124  -4.140
  245   1HB   GLU  32          1HB       GLU  32  -3.640   4.518  -5.334
  246   2HB   GLU  32          2HB       GLU  32  -4.723   3.137  -5.352
  247   1HG   GLU  32          1HG       GLU  32  -6.072   4.017  -3.618
  248   2HG   GLU  32          2HG       GLU  32  -4.827   5.158  -3.109
  249    H    SER  33           H        SER  33  -5.111   2.906  -2.043
  250    HA   SER  33           HA       SER  33  -4.413   5.015  -0.252
  251   1HB   SER  33          1HB       SER  33  -6.090   2.503   0.157
  252   2HB   SER  33          2HB       SER  33  -6.176   3.978   1.122
  253    HG   SER  33           HG       SER  33  -6.887   5.110  -0.640
  254    H    CYS  34           H        CYS  34  -2.898   1.899  -0.581
  255    HA   CYS  34           HA       CYS  34  -2.151   1.763   2.290
  256   1HB   CYS  34          1HB       CYS  34  -1.564   0.084  -0.169
  257   2HB   CYS  34          2HB       CYS  34  -0.646  -0.111   1.325
  258    H    VAL  35           H        VAL  35  -0.342   1.889  -0.787
  259    HA   VAL  35           HA       VAL  35   2.208   2.453   0.081
  260    HB   VAL  35           HB       VAL  35   0.507   3.160  -2.255
  261   1HG1  VAL  35          1HG1      VAL  35   2.844   4.786  -1.413
  262   2HG1  VAL  35          2HG1      VAL  35   1.476   5.228  -2.436
  263   3HG1  VAL  35          3HG1      VAL  35   2.808   4.285  -3.104
  264   1HG2  VAL  35          1HG2      VAL  35   1.606   1.308  -2.880
  265   2HG2  VAL  35          2HG2      VAL  35   2.748   1.463  -1.551
  266   3HG2  VAL  35          3HG2      VAL  35   3.034   2.327  -3.057
  267    H    ASP  36           H        ASP  36  -0.590   4.545   0.344
  268    HA   ASP  36           HA       ASP  36   0.867   6.999   0.855
  269   1HB   ASP  36          1HB       ASP  36  -1.245   7.820   0.707
  270   2HB   ASP  36          2HB       ASP  36  -1.739   6.176   0.319
  271    H    LEU  37           H        LEU  37  -0.747   4.613   3.032
  272    HA   LEU  37           HA       LEU  37   0.341   6.000   5.397
  273   1HB   LEU  37          1HB       LEU  37  -1.740   4.112   4.706
  274   2HB   LEU  37          2HB       LEU  37  -0.797   3.506   6.068
  275    HG   LEU  37           HG       LEU  37  -2.760   4.985   6.699
  276   1HD1  LEU  37          1HD1      LEU  37  -1.583   5.995   8.483
  277   2HD1  LEU  37          2HD1      LEU  37  -0.135   6.238   7.505
  278   3HD1  LEU  37          3HD1      LEU  37  -0.576   4.616   8.040
  279   1HD2  LEU  37          1HD2      LEU  37  -2.959   7.080   5.859
  280   2HD2  LEU  37          2HD2      LEU  37  -1.751   6.593   4.670
  281   3HD2  LEU  37          3HD2      LEU  37  -1.254   7.434   6.138
  282    H    LEU  38           H        LEU  38   1.096   3.218   3.427
  283    HA   LEU  38           HA       LEU  38   2.719   1.750   5.259
  284   1HB   LEU  38          1HB       LEU  38   1.745   1.253   2.882
  285   2HB   LEU  38          2HB       LEU  38   3.230   1.998   2.297
  286    HG   LEU  38           HG       LEU  38   3.784  -0.285   2.410
  287   1HD1  LEU  38          1HD1      LEU  38   5.427   1.130   3.625
  288   2HD1  LEU  38          2HD1      LEU  38   5.349  -0.498   4.297
  289   3HD1  LEU  38          3HD1      LEU  38   4.552   0.836   5.127
  290   1HD2  LEU  38          1HD2      LEU  38   2.966  -1.817   3.989
  291   2HD2  LEU  38          2HD2      LEU  38   1.612  -0.699   3.814
  292   3HD2  LEU  38          3HD2      LEU  38   2.691  -0.568   5.204
  293    H    PHE  39           H        PHE  39   3.574   4.257   2.873
  294    HA   PHE  39           HA       PHE  39   6.389   4.236   3.721
  295   1HB   PHE  39          1HB       PHE  39   4.966   6.055   1.789
  296   2HB   PHE  39          2HB       PHE  39   6.677   5.609   1.787
  297    HD1  PHE  39           1HD      PHE  39   5.909   2.632   2.634
  298    HD2  PHE  39           2HD      PHE  39   4.732   5.245  -0.565
  299    HE1  PHE  39           1HE      PHE  39   5.356   0.665   1.239
  300    HE2  PHE  39           2HE      PHE  39   4.182   3.271  -1.959
  301    HZ   PHE  39           HZ       PHE  39   4.477   0.986  -1.044
  302    H    VAL  40           H        VAL  40   3.676   6.592   3.813
  303    HA   VAL  40           HA       VAL  40   5.069   8.830   4.758
  304    HB   VAL  40           HB       VAL  40   2.902   9.373   5.914
  305   1HG1  VAL  40          1HG1      VAL  40   1.502   9.096   3.792
  306   2HG1  VAL  40          2HG1      VAL  40   2.904   8.275   3.106
  307   3HG1  VAL  40          3HG1      VAL  40   3.032   9.959   3.618
  308   1HG2  VAL  40          1HG2      VAL  40   1.063   7.682   5.542
  309   2HG2  VAL  40          2HG2      VAL  40   2.263   7.227   6.752
  310   3HG2  VAL  40          3HG2      VAL  40   2.322   6.515   5.139
  311    H    ARG  41           H        ARG  41   4.499   5.811   6.407
  312    HA   ARG  41           HA       ARG  41   5.294   6.982   9.024
  313   1HB   ARG  41          1HB       ARG  41   4.597   4.116   8.365
  314   2HB   ARG  41          2HB       ARG  41   4.450   4.943   9.918
  315   1HG   ARG  41          1HG       ARG  41   2.709   6.409   8.967
  316   2HG   ARG  41          2HG       ARG  41   2.869   5.597   7.411
  317   1HD   ARG  41          1HD       ARG  41   1.557   3.857   8.113
  318   2HD   ARG  41          2HD       ARG  41   2.446   3.720   9.641
  319    HE   ARG  41           HE       ARG  41   0.752   6.103   9.477
  320   1HH1  ARG  41          1HH1      ARG  41   0.893   2.722  10.167
  321   2HH1  ARG  41          2HH1      ARG  41  -0.418   2.768  11.298
  322   1HH2  ARG  41          1HH2      ARG  41  -0.927   6.182  10.986
  323   2HH2  ARG  41          2HH2      ARG  41  -1.447   4.723  11.761
  324    H    GLY  42           H        GLY  42   6.780   5.437   6.331
  325   1HA   GLY  42          1HA       GLY  42   9.371   5.509   7.452
  326   2HA   GLY  42          2HA       GLY  42   8.754   3.883   7.722
  327    H    ALA  43           H        ALA  43   7.280   3.591   5.264
  328    HA   ALA  43           HA       ALA  43   7.664   3.063   2.962
  329   1HB   ALA  43          1HB       ALA  43  10.206   4.609   2.952
  330   2HB   ALA  43          2HB       ALA  43   8.752   5.511   3.378
  331   3HB   ALA  43          3HB       ALA  43   8.848   4.677   1.828
  332    H    GLY  44           H        GLY  44   8.741   1.341   1.988
  333   1HA   GLY  44          1HA       GLY  44  10.595  -0.135   1.621
  334   2HA   GLY  44          2HA       GLY  44  11.374   0.522   3.060
  335    H    ASN  45           H        ASN  45   8.050  -0.748   2.728
  336    HA   ASN  45           HA       ASN  45   8.760  -3.173   4.264
  337   1HB   ASN  45          1HB       ASN  45   6.927  -1.009   5.345
  338   2HB   ASN  45          2HB       ASN  45   7.284  -2.545   6.135
  339   1HD2  ASN  45          1HD2      ASN  45   9.497  -2.854   6.974
  340   2HD2  ASN  45          2HD2      ASN  45  10.513  -1.522   7.247
  341    H    CYS  46           H        CYS  46   7.580  -4.746   3.279
  342    HA   CYS  46           HA       CYS  46   5.359  -4.331   1.529
  343   1HB   CYS  46          1HB       CYS  46   7.067  -6.348   2.086
  344   2HB   CYS  46          2HB       CYS  46   5.684  -6.891   3.032
  345    HA   PRO  47           HA       PRO  47   1.998  -3.798   4.386
  346   1HB   PRO  47          1HB       PRO  47  -0.023  -4.891   2.888
  347   2HB   PRO  47          2HB       PRO  47   0.701  -3.329   2.508
  348   1HG   PRO  47          1HG       PRO  47   1.408  -6.035   1.422
  349   2HG   PRO  47          2HG       PRO  47   0.967  -4.585   0.519
  350   1HD   PRO  47          1HD       PRO  47   3.512  -5.204   0.850
  351   2HD   PRO  47          2HD       PRO  47   3.020  -3.519   1.082
  352    H    GLU  48           H        GLU  48   3.234  -6.797   3.327
  353    HA   GLU  48           HA       GLU  48   1.753  -8.204   5.507
  354   1HB   GLU  48          1HB       GLU  48   1.527 -10.111   3.851
  355   2HB   GLU  48          2HB       GLU  48   0.583  -8.678   3.468
  356   1HG   GLU  48          1HG       GLU  48   2.663  -7.977   2.057
  357   2HG   GLU  48          2HG       GLU  48   3.112  -9.679   2.168
  358    H    CYS  49           H        CYS  49   4.421  -8.725   3.106
  359    HA   CYS  49           HA       CYS  49   5.757 -10.429   5.144
  360   1HB   CYS  49          1HB       CYS  49   6.715 -11.496   3.345
  361   2HB   CYS  49          2HB       CYS  49   5.318 -10.811   2.526
  362    H    GLY  50           H        GLY  50   5.665  -7.284   4.936
  363   1HA   GLY  50          1HA       GLY  50   7.174  -5.517   5.305
  364   2HA   GLY  50          2HA       GLY  50   8.063  -6.713   6.247
  365    H    THR  51           H        THR  51   9.764  -7.885   5.190
  366    HA   THR  51           HA       THR  51  11.600  -8.094   3.726
  367    HB   THR  51           HB       THR  51   9.263  -7.320   1.986
  368    HG1  THR  51           1HG      THR  51   9.857  -9.476   3.040
  369   1HG2  THR  51          1HG2      THR  51  12.029  -8.023   0.972
  370   2HG2  THR  51          2HG2      THR  51  11.356  -6.393   0.961
  371   3HG2  THR  51          3HG2      THR  51  10.605  -7.663  -0.004
  372    HA   PRO  52           HA       PRO  52  13.334  -4.050   3.753
  373   1HB   PRO  52          1HB       PRO  52  15.651  -4.612   2.398
  374   2HB   PRO  52          2HB       PRO  52  15.378  -5.072   4.091
  375   1HG   PRO  52          1HG       PRO  52  15.163  -6.710   1.604
  376   2HG   PRO  52          2HG       PRO  52  15.816  -7.151   3.190
  377   1HD   PRO  52          1HD       PRO  52  13.330  -7.874   2.314
  378   2HD   PRO  52          2HD       PRO  52  13.741  -7.659   4.031
  379    H    LEU  53           H        LEU  53  11.732  -3.095   2.283
  380    HA   LEU  53           HA       LEU  53  12.009  -3.378  -0.605
  381   1HB   LEU  53          1HB       LEU  53  10.361  -1.918   1.400
  382   2HB   LEU  53          2HB       LEU  53  10.406  -1.239  -0.224
  383    HG   LEU  53           HG       LEU  53   9.296  -3.055  -1.147
  384   1HD1  LEU  53          1HD1      LEU  53  10.808  -4.829  -0.657
  385   2HD1  LEU  53          2HD1      LEU  53   9.269  -5.331   0.042
  386   3HD1  LEU  53          3HD1      LEU  53  10.538  -4.681   1.080
  387   1HD2  LEU  53          1HD2      LEU  53   8.172  -3.847   1.438
  388   2HD2  LEU  53          2HD2      LEU  53   7.381  -3.098   0.051
  389   3HD2  LEU  53          3HD2      LEU  53   8.240  -2.098   1.223
  390    H    ARG  54           H        ARG  54  13.971  -1.903   1.580
  391    HA   ARG  54           HA       ARG  54  15.659  -0.278   1.404
  392   1HB   ARG  54          1HB       ARG  54  16.114  -1.542  -0.635
  393   2HB   ARG  54          2HB       ARG  54  14.888  -0.628  -1.509
  394   1HG   ARG  54          1HG       ARG  54  16.159   1.382  -1.390
  395   2HG   ARG  54          2HG       ARG  54  17.232   0.718  -0.157
  396   1HD   ARG  54          1HD       ARG  54  17.065  -0.133  -3.071
  397   2HD   ARG  54          2HD       ARG  54  18.435   0.654  -2.262
  398    HE   ARG  54           HE       ARG  54  17.970  -2.140  -2.229
  399   1HH1  ARG  54          1HH1      ARG  54  19.707   0.195  -0.646
  400   2HH1  ARG  54          2HH1      ARG  54  19.867  -0.660   0.852
  401   1HH2  ARG  54          1HH2      ARG  54  17.613  -3.146  -0.021
  402   2HH2  ARG  54          2HH2      ARG  54  18.681  -2.552   1.206
  403    H    LYS  55           H        LYS  55  13.925   0.964  -1.406
  404    HA   LYS  55           HA       LYS  55  13.365   3.466   0.150
  405   1HB   LYS  55          1HB       LYS  55  13.586   4.560  -2.056
  406   2HB   LYS  55          2HB       LYS  55  15.019   3.598  -1.694
  407   1HG   LYS  55          1HG       LYS  55  14.684   2.589  -3.691
  408   2HG   LYS  55          2HG       LYS  55  13.297   1.796  -2.944
  409   1HD   LYS  55          1HD       LYS  55  11.995   3.950  -3.555
  410   2HD   LYS  55          2HD       LYS  55  13.350   4.298  -4.629
  411   1HE   LYS  55          1HE       LYS  55  13.011   2.046  -5.696
  412   2HE   LYS  55          2HE       LYS  55  11.562   1.838  -4.691
  413   1HZ   LYS  55          1HZ       LYS  55  12.102   3.839  -6.801
  414   2HZ   LYS  55          2HZ       LYS  55  10.978   4.175  -5.572
  415   3HZ   LYS  55          3HZ       LYS  55  10.740   2.846  -6.604
  416    H    SER  56           H        SER  56  11.648   0.989  -0.183
  417    HA   SER  56           HA       SER  56   9.319   0.651  -0.349
  418   1HB   SER  56          1HB       SER  56   8.068   2.541  -0.051
  419   2HB   SER  56          2HB       SER  56   9.638   3.314   0.139
  420    HG   SER  56           HG       SER  56   8.046   4.159  -1.505
  421    H    ASN  57           H        ASN  57   9.071  -0.736  -2.122
  422    HA   ASN  57           HA       ASN  57   9.167   0.503  -4.857
  423   1HB   ASN  57          1HB       ASN  57   9.466  -2.226  -5.223
  424   2HB   ASN  57          2HB       ASN  57  10.792  -1.072  -5.129
  425   1HD2  ASN  57          1HD2      ASN  57   9.575  -3.905  -3.755
  426   2HD2  ASN  57          2HD2      ASN  57  10.461  -3.886  -2.308
  427    H    PHE  58           H        PHE  58   7.063   0.840  -5.475
  428    HA   PHE  58           HA       PHE  58   5.191  -1.477  -5.396
  429   1HB   PHE  58          1HB       PHE  58   4.538   1.307  -4.365
  430   2HB   PHE  58          2HB       PHE  58   3.468  -0.084  -4.312
  431    HD1  PHE  58           1HD      PHE  58   3.794  -1.886  -2.756
  432    HD2  PHE  58           2HD      PHE  58   6.569   1.386  -2.936
  433    HE1  PHE  58           1HE      PHE  58   4.799  -2.625  -0.614
  434    HE2  PHE  58           2HE      PHE  58   7.559   0.650  -0.788
  435    HZ   PHE  58           HZ       PHE  58   6.683  -1.352   0.371
  436    H    ARG  59           H        ARG  59   4.735  -1.691  -7.534
  437    HA   ARG  59           HA       ARG  59   4.430   0.761  -9.222
  438   1HB   ARG  59          1HB       ARG  59   4.346  -1.408 -10.928
  439   2HB   ARG  59          2HB       ARG  59   5.802  -0.511 -10.518
  440   1HG   ARG  59          1HG       ARG  59   6.199  -2.107  -8.622
  441   2HG   ARG  59          2HG       ARG  59   4.805  -3.041  -9.169
  442   1HD   ARG  59          1HD       ARG  59   6.256  -4.154 -10.530
  443   2HD   ARG  59          2HD       ARG  59   6.364  -2.661 -11.483
  444    HE   ARG  59           HE       ARG  59   8.231  -1.991  -9.895
  445   1HH1  ARG  59          1HH2      ARG  59   8.676  -4.591 -11.631
  446   2HH1  ARG  59          2HH2      ARG  59   9.561  -5.541 -10.485
  447   1HH2  ARG  59          1HH1      ARG  59   8.768  -3.511  -7.789
  448   2HH2  ARG  59          2HH1      ARG  59   9.613  -4.930  -8.310
  449    H    VAL  60           H        VAL  60   2.322   1.340  -8.710
  450    HA   VAL  60           HA       VAL  60   0.137  -0.624  -8.752
  451    HB   VAL  60           HB       VAL  60   0.612   1.478  -7.256
  452   1HG1  VAL  60          1HG1      VAL  60  -0.817   2.677  -9.645
  453   2HG1  VAL  60          2HG1      VAL  60   0.775   3.126  -9.031
  454   3HG1  VAL  60          3HG1      VAL  60  -0.667   3.468  -8.075
  455   1HG2  VAL  60          1HG2      VAL  60  -1.322   0.222  -6.781
  456   2HG2  VAL  60          2HG2      VAL  60  -2.031   0.548  -8.360
  457   3HG2  VAL  60          3HG2      VAL  60  -1.965   1.821  -7.143
  458    H    GLN  61           H        GLN  61  -1.594  -0.622 -10.165
  459    HA   GLN  61           HA       GLN  61  -1.765   1.194 -12.452
  460   1HB   GLN  61          1HB       GLN  61  -1.152  -0.415 -14.120
  461   2HB   GLN  61          2HB       GLN  61   0.104  -0.525 -12.887
  462   1HG   GLN  61          1HG       GLN  61  -0.416  -2.773 -13.174
  463   2HG   GLN  61          2HG       GLN  61  -1.515  -2.351 -11.860
  464   1HE2  GLN  61          1HE2      GLN  61  -2.839  -4.234 -12.784
  465   2HE2  GLN  61          2HE2      GLN  61  -3.881  -3.912 -14.084
  466    H    LEU  62           H        LEU  62  -3.700   0.507 -13.833
  467    HA   LEU  62           HA       LEU  62  -5.506  -1.509 -12.671
  468   1HB   LEU  62          1HB       LEU  62  -5.471   1.081 -11.646
  469   2HB   LEU  62          2HB       LEU  62  -6.824   1.102 -12.776
  470    HG   LEU  62           HG       LEU  62  -7.770  -0.898 -11.689
  471   1HD1  LEU  62          1HD1      LEU  62  -5.294  -0.653  -9.966
  472   2HD1  LEU  62          2HD1      LEU  62  -5.814  -2.044 -10.915
  473   3HD1  LEU  62          3HD1      LEU  62  -6.709  -1.578  -9.471
  474   1HD2  LEU  62          1HD2      LEU  62  -8.806   0.435 -10.183
  475   2HD2  LEU  62          2HD2      LEU  62  -7.659   1.691 -10.647
  476   3HD2  LEU  62          3HD2      LEU  62  -7.320   0.656  -9.259
  477    H    PHE  63           H        PHE  63  -6.458  -2.422 -14.438
  478    HA   PHE  63           HA       PHE  63  -7.827  -0.885 -16.465
  479   1HB   PHE  63          1HB       PHE  63  -5.217  -0.668 -16.813
  480   2HB   PHE  63          2HB       PHE  63  -5.379  -2.280 -17.511
  481    HD1  PHE  63           1HD      PHE  63  -8.332  -1.718 -18.454
  482    HD2  PHE  63           2HD      PHE  63  -4.601   0.347 -18.966
  483    HE1  PHE  63           1HE      PHE  63  -9.175  -0.718 -20.560
  484    HE2  PHE  63           2HE      PHE  63  -5.445   1.347 -21.074
  485    HZ   PHE  63           HZ       PHE  63  -7.732   0.814 -21.871
  486    H    GLU  64           H        GLU  64  -8.498  -3.127 -14.840
  487    HA   GLU  64           HA       GLU  64  -8.240  -5.603 -16.365
  488   1HB   GLU  64          1HB       GLU  64 -10.052  -4.792 -14.067
  489   2HB   GLU  64          2HB       GLU  64  -9.714  -6.447 -14.577
  490   1HG   GLU  64          1HG       GLU  64  -7.483  -4.561 -13.819
  491   2HG   GLU  64          2HG       GLU  64  -8.345  -5.491 -12.592
  492    H    ASP  65           H        ASP  65 -10.243  -2.853 -16.618
  493    HA   ASP  65           HA       ASP  65 -12.369  -4.423 -18.036
  494   1HB   ASP  65          1HB       ASP  65 -12.275  -2.032 -16.283
  495   2HB   ASP  65          2HB       ASP  65 -13.395  -1.930 -17.641
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  -8.447  -5.322  -8.491
    2   2H    MET   1          2HT       MET   1  -8.065  -5.957  -6.961
    3   3H    MET   1          3HT       MET   1  -8.377  -4.297  -7.142
    4    HA   MET   1           HA       MET   1 -10.688  -4.973  -7.933
    5   1HB   MET   1          1HB       MET   1  -9.781  -7.513  -6.547
    6   2HB   MET   1          2HB       MET   1 -11.315  -7.243  -7.373
    7   1HG   MET   1          1HG       MET   1 -10.218  -8.257  -9.111
    8   2HG   MET   1          2HG       MET   1  -9.596  -6.628  -9.375
    9   1HE   MET   1          1HE       MET   1  -8.180  -9.863  -6.824
   10   2HE   MET   1          2HE       MET   1  -7.799 -10.441  -8.445
   11   3HE   MET   1          3HE       MET   1  -9.435  -9.903  -8.070
   12    H    ASP   2           H        ASP   2 -12.380  -4.978  -6.227
   13    HA   ASP   2           HA       ASP   2 -11.496  -3.623  -3.804
   14   1HB   ASP   2          1HB       ASP   2 -14.213  -4.764  -4.519
   15   2HB   ASP   2          2HB       ASP   2 -13.876  -3.429  -3.417
   16    H    ASP   3           H        ASP   3 -11.400  -6.832  -4.606
   17    HA   ASP   3           HA       ASP   3 -11.960  -7.704  -1.789
   18   1HB   ASP   3          1HB       ASP   3 -12.662  -9.809  -2.746
   19   2HB   ASP   3          2HB       ASP   3 -13.454  -8.531  -3.668
   20    H    GLN   4           H        GLN   4 -10.219  -8.563  -0.713
   21    HA   GLN   4           HA       GLN   4  -8.057  -9.440  -0.331
   22   1HB   GLN   4          1HB       GLN   4  -9.099 -11.118  -1.947
   23   2HB   GLN   4          2HB       GLN   4  -8.246 -10.272  -3.238
   24   1HG   GLN   4          1HG       GLN   4  -6.465 -10.832  -1.016
   25   2HG   GLN   4          2HG       GLN   4  -7.223 -12.314  -1.600
   26   1HE2  GLN   4          1HE2      GLN   4  -4.702 -10.085  -2.215
   27   2HE2  GLN   4          2HE2      GLN   4  -4.323 -10.587  -3.792
   28    H    GLY   5           H        GLY   5  -8.614  -6.743  -1.878
   29   1HA   GLY   5          1HA       GLY   5  -6.010  -6.425  -3.250
   30   2HA   GLY   5          2HA       GLY   5  -7.312  -5.235  -3.223
   31    H    CYS   6           H        CYS   6  -6.936  -3.494  -1.911
   32    HA   CYS   6           HA       CYS   6  -4.699  -2.873  -0.489
   33   1HB   CYS   6          1HB       CYS   6  -6.432  -1.262  -0.733
   34   2HB   CYS   6          2HB       CYS   6  -7.617  -2.296   0.032
   35    HA   PRO   7           HA       PRO   7  -5.019  -5.983   2.776
   36   1HB   PRO   7          1HB       PRO   7  -2.321  -6.335   3.038
   37   2HB   PRO   7          2HB       PRO   7  -3.288  -7.148   1.795
   38   1HG   PRO   7          1HG       PRO   7  -1.378  -4.927   1.550
   39   2HG   PRO   7          2HG       PRO   7  -1.932  -6.080   0.330
   40   1HD   PRO   7          1HD       PRO   7  -2.783  -3.381   0.715
   41   2HD   PRO   7          2HD       PRO   7  -3.384  -4.553  -0.475
   42    H    ARG   8           H        ARG   8  -3.540  -2.845   2.660
   43    HA   ARG   8           HA       ARG   8  -2.843  -2.888   5.558
   44   1HB   ARG   8          1HB       ARG   8  -1.506  -1.905   3.481
   45   2HB   ARG   8          2HB       ARG   8  -2.546  -0.505   3.757
   46   1HG   ARG   8          1HG       ARG   8  -1.479   0.065   5.673
   47   2HG   ARG   8          2HG       ARG   8  -1.333  -1.613   6.204
   48   1HD   ARG   8          1HD       ARG   8   0.346  -1.437   3.958
   49   2HD   ARG   8          2HD       ARG   8   0.635   0.063   4.860
   50    HE   ARG   8           HE       ARG   8   1.330  -2.612   5.754
   51   1HH1  ARG   8          1HH1      ARG   8   2.338   0.257   6.535
   52   2HH1  ARG   8          2HH1      ARG   8   2.008   0.222   8.235
   53   1HH2  ARG   8          1HH2      ARG   8  -0.032  -2.575   8.050
   54   2HH2  ARG   8          2HH2      ARG   8   0.665  -1.381   9.093
   55    H    CYS   9           H        CYS   9  -4.576  -0.640   3.370
   56    HA   CYS   9           HA       CYS   9  -6.259   0.190   5.711
   57   1HB   CYS   9          1HB       CYS   9  -6.766   1.918   3.558
   58   2HB   CYS   9          2HB       CYS   9  -5.763   2.253   4.955
   59    H    LYS  10           H        LYS  10  -6.975  -2.259   4.440
   60    HA   LYS  10           HA       LYS  10  -8.606  -2.704   2.428
   61   1HB   LYS  10          1HB       LYS  10 -10.004  -4.052   3.841
   62   2HB   LYS  10          2HB       LYS  10  -8.415  -4.000   4.604
   63   1HG   LYS  10          1HG       LYS  10  -9.456  -1.877   5.819
   64   2HG   LYS  10          2HG       LYS  10 -10.974  -2.696   5.441
   65   1HD   LYS  10          1HD       LYS  10  -8.643  -3.774   7.054
   66   2HD   LYS  10          2HD       LYS  10 -10.286  -3.469   7.618
   67   1HE   LYS  10          1HE       LYS  10 -11.105  -5.222   6.017
   68   2HE   LYS  10          2HE       LYS  10  -9.416  -5.579   5.605
   69   1HZ   LYS  10          1HZ       LYS  10  -8.978  -5.980   7.950
   70   2HZ   LYS  10          2HZ       LYS  10 -10.227  -6.999   7.414
   71   3HZ   LYS  10          3HZ       LYS  10 -10.588  -5.623   8.344
   72    H    THR  11           H        THR  11  -9.273  -0.638   1.474
   73    HA   THR  11           HA       THR  11 -12.019   0.062   1.996
   74    HB   THR  11           HB       THR  11 -10.433   0.921   3.968
   75    HG1  THR  11           1HG      THR  11 -12.040   2.258   4.439
   76   1HG2  THR  11          1HG2      THR  11  -9.792   3.307   3.558
   77   2HG2  THR  11          2HG2      THR  11 -10.196   3.092   1.853
   78   3HG2  THR  11          3HG2      THR  11  -8.873   2.168   2.573
   79    H    THR  12           H        THR  12  -8.892   1.353   0.915
   80    HA   THR  12           HA       THR  12  -9.483   3.396  -0.758
   81    HB   THR  12           HB       THR  12  -7.706   1.056  -1.478
   82    HG1  THR  12           1HG      THR  12  -7.447   3.220   0.302
   83   1HG2  THR  12          1HG2      THR  12  -8.052   3.850  -2.418
   84   2HG2  THR  12          2HG2      THR  12  -7.482   2.430  -3.294
   85   3HG2  THR  12          3HG2      THR  12  -6.393   3.289  -2.210
   86    H    LYS  13           H        LYS  13  -8.773   0.768  -2.901
   87    HA   LYS  13           HA       LYS  13 -10.505   1.455  -4.895
   88   1HB   LYS  13          1HB       LYS  13 -10.066  -0.700  -5.763
   89   2HB   LYS  13          2HB       LYS  13  -8.710  -0.371  -4.708
   90   1HG   LYS  13          1HG       LYS  13 -11.152  -1.823  -3.711
   91   2HG   LYS  13          2HG       LYS  13  -9.815  -2.674  -4.480
   92   1HD   LYS  13          1HD       LYS  13  -8.256  -1.694  -2.830
   93   2HD   LYS  13          2HD       LYS  13  -9.613  -0.874  -2.044
   94   1HE   LYS  13          1HE       LYS  13  -9.044  -3.010  -0.882
   95   2HE   LYS  13          2HE       LYS  13 -10.669  -3.080  -1.590
   96   1HZ   LYS  13          1HZ       LYS  13  -8.751  -4.881  -2.080
   97   2HZ   LYS  13          2HZ       LYS  13  -8.474  -3.794  -3.356
   98   3HZ   LYS  13          3HZ       LYS  13  -9.996  -4.524  -3.173
   99    H    TYR  14           H        TYR  14 -11.399  -0.466  -2.019
  100    HA   TYR  14           HA       TYR  14 -14.027  -1.160  -2.875
  101   1HB   TYR  14          1HB       TYR  14 -12.813  -1.982  -0.838
  102   2HB   TYR  14          2HB       TYR  14 -13.039  -0.409  -0.092
  103    HD1  TYR  14           1HD      TYR  14 -15.854  -0.863  -2.089
  104    HD2  TYR  14           2HD      TYR  14 -14.104  -2.324   1.554
  105    HE1  TYR  14           1HE      TYR  14 -18.092  -1.579  -1.300
  106    HE2  TYR  14           2HE      TYR  14 -16.343  -3.039   2.341
  107    HH   TYR  14           HH       TYR  14 -19.013  -3.280   0.315
  108    H    ARG  15           H        ARG  15 -12.755   1.701  -1.202
  109    HA   ARG  15           HA       ARG  15 -15.276   3.223  -1.605
  110   1HB   ARG  15          1HB       ARG  15 -12.677   3.493  -0.139
  111   2HB   ARG  15          2HB       ARG  15 -13.545   4.972  -0.542
  112   1HG   ARG  15          1HG       ARG  15 -14.859   4.611   1.254
  113   2HG   ARG  15          2HG       ARG  15 -15.475   3.159   0.458
  114   1HD   ARG  15          1HD       ARG  15 -12.853   3.152   1.962
  115   2HD   ARG  15          2HD       ARG  15 -14.397   2.815   2.773
  116    HE   ARG  15           HE       ARG  15 -13.230   1.212   0.522
  117   1HH1  ARG  15          1HH1      ARG  15 -13.500  -0.140   3.111
  118   2HH1  ARG  15          2HH1      ARG  15 -15.046  -0.911   3.004
  119   1HH2  ARG  15          1HH2      ARG  15 -16.133   1.037   0.350
  120   2HH2  ARG  15          2HH2      ARG  15 -16.538  -0.244   1.443
  121    H    ASN  16           H        ASN  16 -11.914   4.192  -1.974
  122    HA   ASN  16           HA       ASN  16 -12.145   6.085  -4.019
  123   1HB   ASN  16          1HB       ASN  16 -10.137   4.438  -2.687
  124   2HB   ASN  16          2HB       ASN  16  -9.705   4.735  -4.373
  125   1HD2  ASN  16          1HD2      ASN  16  -7.976   5.970  -2.820
  126   2HD2  ASN  16          2HD2      ASN  16  -8.315   7.621  -2.601
  127    HA   PRO  17           HA       PRO  17 -13.152   3.079  -7.244
  128   1HB   PRO  17          1HB       PRO  17 -14.296   4.897  -8.947
  129   2HB   PRO  17          2HB       PRO  17 -15.166   4.172  -7.582
  130   1HG   PRO  17          1HG       PRO  17 -13.977   6.874  -7.870
  131   2HG   PRO  17          2HG       PRO  17 -15.404   6.359  -6.963
  132   1HD   PRO  17          1HD       PRO  17 -12.881   6.898  -5.891
  133   2HD   PRO  17          2HD       PRO  17 -14.187   6.009  -5.080
  134    H    SER  18           H        SER  18 -11.301   6.023  -7.316
  135    HA   SER  18           HA       SER  18 -10.047   5.238  -9.921
  136   1HB   SER  18          1HB       SER  18 -11.034   7.475  -9.805
  137   2HB   SER  18          2HB       SER  18 -10.115   7.831  -8.346
  138    HG   SER  18           HG       SER  18  -8.420   8.231  -9.495
  139    H    LEU  19           H        LEU  19  -8.942   3.536  -8.432
  140    HA   LEU  19           HA       LEU  19  -6.323   4.646  -7.586
  141   1HB   LEU  19          1HB       LEU  19  -6.520   3.878  -5.349
  142   2HB   LEU  19          2HB       LEU  19  -8.062   4.647  -5.691
  143    HG   LEU  19           HG       LEU  19  -8.713   2.656  -4.657
  144   1HD1  LEU  19          1HD1      LEU  19  -9.643   1.173  -6.390
  145   2HD1  LEU  19          2HD1      LEU  19  -8.628   1.924  -7.596
  146   3HD1  LEU  19          3HD1      LEU  19  -9.882   2.864  -6.812
  147   1HD2  LEU  19          1HD2      LEU  19  -7.140   0.713  -6.192
  148   2HD2  LEU  19          2HD2      LEU  19  -7.399   0.837  -4.451
  149   3HD2  LEU  19          3HD2      LEU  19  -6.158   1.812  -5.224
  150    H    LYS  20           H        LYS  20  -5.107   2.472  -6.548
  151    HA   LYS  20           HA       LYS  20  -5.793  -0.015  -7.866
  152   1HB   LYS  20          1HB       LYS  20  -3.611   0.144  -9.312
  153   2HB   LYS  20          2HB       LYS  20  -5.058   0.978  -9.873
  154   1HG   LYS  20          1HG       LYS  20  -3.439   2.600  -8.040
  155   2HG   LYS  20          2HG       LYS  20  -2.574   2.147  -9.510
  156   1HD   LYS  20          1HD       LYS  20  -5.373   3.038  -9.901
  157   2HD   LYS  20          2HD       LYS  20  -4.251   4.284  -9.352
  158   1HE   LYS  20          1HE       LYS  20  -2.693   3.332 -11.250
  159   2HE   LYS  20          2HE       LYS  20  -4.212   2.687 -11.906
  160   1HZ   LYS  20          1HZ       LYS  20  -5.104   5.025 -11.409
  161   2HZ   LYS  20          2HZ       LYS  20  -4.097   4.843 -12.765
  162   3HZ   LYS  20          3HZ       LYS  20  -3.478   5.497 -11.324
  163    H    LEU  21           H        LEU  21  -3.865  -1.601  -7.652
  164    HA   LEU  21           HA       LEU  21  -2.474  -1.023  -5.057
  165   1HB   LEU  21          1HB       LEU  21  -3.648  -3.485  -6.354
  166   2HB   LEU  21          2HB       LEU  21  -2.524  -3.612  -5.002
  167    HG   LEU  21           HG       LEU  21  -4.015  -2.205  -3.628
  168   1HD1  LEU  21          1HD1      LEU  21  -6.431  -2.044  -4.783
  169   2HD1  LEU  21          2HD1      LEU  21  -5.443  -1.969  -6.240
  170   3HD1  LEU  21          3HD1      LEU  21  -5.231  -0.766  -4.967
  171   1HD2  LEU  21          1HD2      LEU  21  -6.130  -3.898  -4.074
  172   2HD2  LEU  21          2HD2      LEU  21  -4.706  -4.305  -3.118
  173   3HD2  LEU  21          3HD2      LEU  21  -4.796  -4.786  -4.811
  174    H    MET  22           H        MET  22  -0.212  -1.216  -5.032
  175    HA   MET  22           HA       MET  22   1.068  -1.980  -7.607
  176   1HB   MET  22          1HB       MET  22   2.841  -1.031  -5.533
  177   2HB   MET  22          2HB       MET  22   2.553  -0.346  -7.107
  178   1HG   MET  22          1HG       MET  22   0.342   0.553  -6.041
  179   2HG   MET  22          2HG       MET  22   1.198   0.293  -4.520
  180   1HE   MET  22          1HE       MET  22   0.151   2.766  -4.985
  181   2HE   MET  22          2HE       MET  22   0.368   3.232  -6.671
  182   3HE   MET  22          3HE       MET  22   1.219   4.114  -5.404
  183    H    VAL  23           H        VAL  23   3.093  -3.217  -7.468
  184    HA   VAL  23           HA       VAL  23   3.087  -5.197  -5.218
  185    HB   VAL  23           HB       VAL  23   3.013  -5.448  -8.188
  186   1HG1  VAL  23          1HG1      VAL  23   4.004  -7.748  -8.032
  187   2HG1  VAL  23          2HG1      VAL  23   4.492  -7.382  -6.376
  188   3HG1  VAL  23          3HG1      VAL  23   5.180  -6.471  -7.720
  189   1HG2  VAL  23          1HG2      VAL  23   1.343  -6.968  -7.742
  190   2HG2  VAL  23          2HG2      VAL  23   1.240  -5.983  -6.282
  191   3HG2  VAL  23          3HG2      VAL  23   2.102  -7.522  -6.249
  192    H    ASN  24           H        ASN  24   4.948  -4.746  -4.116
  193    HA   ASN  24           HA       ASN  24   7.247  -3.552  -5.516
  194   1HB   ASN  24          1HB       ASN  24   8.144  -3.627  -3.091
  195   2HB   ASN  24          2HB       ASN  24   6.783  -2.561  -3.454
  196   1HD2  ASN  24          1HD2      ASN  24   4.794  -2.973  -2.384
  197   2HD2  ASN  24          2HD2      ASN  24   4.558  -4.266  -1.310
  198    H    VAL  25           H        VAL  25   9.435  -4.349  -4.665
  199    HA   VAL  25           HA       VAL  25  10.169  -6.757  -5.852
  200    HB   VAL  25           HB       VAL  25  11.761  -5.076  -5.342
  201   1HG1  VAL  25          1HG1      VAL  25  12.009  -5.039  -2.538
  202   2HG1  VAL  25          2HG1      VAL  25  10.276  -4.973  -2.858
  203   3HG1  VAL  25          3HG1      VAL  25  11.348  -3.760  -3.558
  204   1HG2  VAL  25          1HG2      VAL  25  12.290  -7.630  -4.761
  205   2HG2  VAL  25          2HG2      VAL  25  12.498  -6.948  -3.148
  206   3HG2  VAL  25          3HG2      VAL  25  13.474  -6.351  -4.490
  207    H    CYS  26           H        CYS  26   8.263  -8.078  -4.905
  208    HA   CYS  26           HA       CYS  26   9.278 -10.094  -3.150
  209   1HB   CYS  26          1HB       CYS  26   8.155  -9.595  -1.111
  210   2HB   CYS  26          2HB       CYS  26   8.845  -8.056  -1.621
  211    H    GLY  27           H        GLY  27   6.384  -8.441  -4.390
  212   1HA   GLY  27          1HA       GLY  27   4.848  -9.529  -5.906
  213   2HA   GLY  27          2HA       GLY  27   5.356 -11.087  -5.258
  214    H    HIS  28           H        HIS  28   3.357  -8.232  -4.628
  215    HA   HIS  28           HA       HIS  28   1.522  -9.914  -3.073
  216   1HB   HIS  28          1HB       HIS  28   3.404  -7.931  -1.862
  217   2HB   HIS  28          2HB       HIS  28   1.781  -8.051  -1.173
  218    HD2  HIS  28           2HD      HIS  28   1.532 -11.369  -1.726
  219    HE1  HIS  28           1HE      HIS  28   4.861 -11.627   0.828
  220    HE2  HIS  28           2HE      HIS  28   2.967 -12.926  -0.214
  221    H    THR  29           H        THR  29   1.284  -6.633  -2.153
  222    HA   THR  29           HA       THR  29  -0.050  -5.549  -4.466
  223    HB   THR  29           HB       THR  29  -1.555  -7.231  -2.495
  224    HG1  THR  29           1HG      THR  29  -1.676  -8.197  -4.349
  225   1HG2  THR  29          1HG2      THR  29  -3.574  -5.821  -3.711
  226   2HG2  THR  29          2HG2      THR  29  -2.394  -4.552  -3.390
  227   3HG2  THR  29          3HG2      THR  29  -3.009  -5.541  -2.065
  228    H    LEU  30           H        LEU  30  -0.503  -3.365  -4.107
  229    HA   LEU  30           HA       LEU  30  -0.605  -2.365  -1.293
  230   1HB   LEU  30          1HB       LEU  30   1.748  -2.513  -2.199
  231   2HB   LEU  30          2HB       LEU  30   1.286  -1.325  -3.409
  232    HG   LEU  30           HG       LEU  30   0.434  -0.214  -1.017
  233   1HD1  LEU  30          1HD1      LEU  30   2.938  -0.319   0.013
  234   2HD1  LEU  30          2HD1      LEU  30   2.777  -1.960  -0.614
  235   3HD1  LEU  30          3HD1      LEU  30   1.619  -1.350   0.568
  236   1HD2  LEU  30          1HD2      LEU  30   2.395   0.237  -3.088
  237   2HD2  LEU  30          2HD2      LEU  30   2.904   0.891  -1.530
  238   3HD2  LEU  30          3HD2      LEU  30   1.363   1.383  -2.236
  239    H    CYS  31           H        CYS  31  -2.761  -1.654  -1.692
  240    HA   CYS  31           HA       CYS  31  -3.771  -0.295  -3.942
  241   1HB   CYS  31          1HB       CYS  31  -5.614  -0.132  -2.591
  242   2HB   CYS  31          2HB       CYS  31  -4.666  -1.131  -1.502
  243    H    GLU  32           H        GLU  32  -4.558   2.159  -3.659
  244    HA   GLU  32           HA       GLU  32  -2.178   3.797  -3.778
  245   1HB   GLU  32          1HB       GLU  32  -3.711   5.228  -4.669
  246   2HB   GLU  32          2HB       GLU  32  -4.916   3.976  -4.396
  247   1HG   GLU  32          1HG       GLU  32  -5.527   4.915  -2.266
  248   2HG   GLU  32          2HG       GLU  32  -4.151   6.015  -2.291
  249    H    SER  33           H        SER  33  -4.759   3.485  -1.351
  250    HA   SER  33           HA       SER  33  -3.618   5.162   0.661
  251   1HB   SER  33          1HB       SER  33  -5.416   2.711   0.971
  252   2HB   SER  33          2HB       SER  33  -5.294   4.090   2.070
  253    HG   SER  33           HG       SER  33  -6.317   5.363   0.682
  254    H    CYS  34           H        CYS  34  -2.475   2.077  -0.442
  255    HA   CYS  34           HA       CYS  34  -1.414   1.370   2.231
  256   1HB   CYS  34          1HB       CYS  34  -1.406   0.133  -0.520
  257   2HB   CYS  34          2HB       CYS  34  -0.253  -0.420   0.697
  258    H    VAL  35           H        VAL  35  -0.036   2.218  -0.998
  259    HA   VAL  35           HA       VAL  35   2.668   2.441  -0.439
  260    HB   VAL  35           HB       VAL  35   0.736   3.544  -2.287
  261   1HG1  VAL  35          1HG1      VAL  35   1.098   5.771  -1.623
  262   2HG1  VAL  35          2HG1      VAL  35   2.292   5.547  -2.898
  263   3HG1  VAL  35          3HG1      VAL  35   2.785   5.469  -1.209
  264   1HG2  VAL  35          1HG2      VAL  35   2.247   2.418  -3.486
  265   2HG2  VAL  35          2HG2      VAL  35   3.476   2.562  -2.244
  266   3HG2  VAL  35          3HG2      VAL  35   3.242   3.864  -3.407
  267    H    ASP  36           H        ASP  36   0.427   5.192  -0.024
  268    HA   ASP  36           HA       ASP  36   2.111   6.929   1.395
  269   1HB   ASP  36          1HB       ASP  36  -0.246   7.613   2.434
  270   2HB   ASP  36          2HB       ASP  36   0.081   7.863   0.725
  271    H    LEU  37           H        LEU  37  -0.451   5.046   3.078
  272    HA   LEU  37           HA       LEU  37   0.492   5.389   5.691
  273   1HB   LEU  37          1HB       LEU  37  -1.645   4.309   4.750
  274   2HB   LEU  37          2HB       LEU  37  -0.704   2.821   4.635
  275    HG   LEU  37           HG       LEU  37  -2.003   3.030   6.778
  276   1HD1  LEU  37          1HD1      LEU  37  -0.375   1.861   7.853
  277   2HD1  LEU  37          2HD1      LEU  37   0.792   3.176   7.710
  278   3HD1  LEU  37          3HD1      LEU  37   0.535   2.074   6.357
  279   1HD2  LEU  37          1HD2      LEU  37  -1.587   5.569   6.861
  280   2HD2  LEU  37          2HD2      LEU  37   0.009   5.170   7.497
  281   3HD2  LEU  37          3HD2      LEU  37  -1.439   4.694   8.385
  282    H    LEU  38           H        LEU  38   1.505   2.928   3.333
  283    HA   LEU  38           HA       LEU  38   3.121   1.356   5.091
  284   1HB   LEU  38          1HB       LEU  38   2.264   1.077   2.616
  285   2HB   LEU  38          2HB       LEU  38   3.778   1.870   2.197
  286    HG   LEU  38           HG       LEU  38   4.072  -0.555   2.154
  287   1HD1  LEU  38          1HD1      LEU  38   5.726   1.200   3.402
  288   2HD1  LEU  38          2HD1      LEU  38   6.108  -0.504   3.197
  289   3HD1  LEU  38          3HD1      LEU  38   5.430   0.070   4.721
  290   1HD2  LEU  38          1HD2      LEU  38   2.493  -0.345   4.605
  291   2HD2  LEU  38          2HD2      LEU  38   3.929  -1.343   4.831
  292   3HD2  LEU  38          3HD2      LEU  38   2.766  -1.745   3.569
  293    H    PHE  39           H        PHE  39   3.882   4.207   3.095
  294    HA   PHE  39           HA       PHE  39   6.698   4.197   3.965
  295   1HB   PHE  39          1HB       PHE  39   5.224   6.258   2.329
  296   2HB   PHE  39          2HB       PHE  39   6.943   5.852   2.267
  297    HD1  PHE  39           1HD      PHE  39   6.218   2.765   2.599
  298    HD2  PHE  39           2HD      PHE  39   5.036   5.849  -0.137
  299    HE1  PHE  39           1HE      PHE  39   5.690   1.046   0.907
  300    HE2  PHE  39           2HE      PHE  39   4.522   4.131  -1.841
  301    HZ   PHE  39           HZ       PHE  39   4.822   1.716  -1.311
  302    H    VAL  40           H        VAL  40   3.803   6.240   4.461
  303    HA   VAL  40           HA       VAL  40   5.010   8.397   5.824
  304    HB   VAL  40           HB       VAL  40   2.797   8.737   6.763
  305   1HG1  VAL  40          1HG1      VAL  40   2.208   9.252   4.652
  306   2HG1  VAL  40          2HG1      VAL  40   1.572   7.615   4.497
  307   3HG1  VAL  40          3HG1      VAL  40   3.227   7.968   4.002
  308   1HG2  VAL  40          1HG2      VAL  40   2.414   6.542   7.721
  309   2HG2  VAL  40          2HG2      VAL  40   2.392   5.803   6.120
  310   3HG2  VAL  40          3HG2      VAL  40   1.096   6.897   6.605
  311    H    ARG  41           H        ARG  41   4.721   5.093   6.777
  312    HA   ARG  41           HA       ARG  41   5.209   5.699   9.641
  313   1HB   ARG  41          1HB       ARG  41   4.906   3.019   8.269
  314   2HB   ARG  41          2HB       ARG  41   4.599   3.408   9.960
  315   1HG   ARG  41          1HG       ARG  41   3.047   4.796   7.781
  316   2HG   ARG  41          2HG       ARG  41   2.569   3.191   8.328
  317   1HD   ARG  41          1HD       ARG  41   2.919   5.617  10.133
  318   2HD   ARG  41          2HD       ARG  41   1.364   4.943   9.602
  319    HE   ARG  41           HE       ARG  41   2.895   3.906  11.755
  320   1HH1  ARG  41          1HH1      ARG  41   0.119   3.002  10.856
  321   2HH1  ARG  41          2HH1      ARG  41   0.412   1.330  10.509
  322   1HH2  ARG  41          1HH2      ARG  41   3.862   1.677  10.430
  323   2HH2  ARG  41          2HH2      ARG  41   2.531   0.581  10.269
  324    H    GLY  42           H        GLY  42   6.871   4.522   6.763
  325   1HA   GLY  42          1HA       GLY  42   9.452   4.861   7.941
  326   2HA   GLY  42          2HA       GLY  42   9.024   3.155   8.010
  327    H    ALA  43           H        ALA  43   7.504   3.280   5.428
  328    HA   ALA  43           HA       ALA  43   7.978   3.116   3.091
  329   1HB   ALA  43          1HB       ALA  43  10.563   4.552   3.468
  330   2HB   ALA  43          2HB       ALA  43   9.102   5.424   3.933
  331   3HB   ALA  43          3HB       ALA  43   9.288   4.831   2.281
  332    H    GLY  44           H        GLY  44   8.637   1.104   2.429
  333   1HA   GLY  44          1HA       GLY  44  10.542  -0.290   1.715
  334   2HA   GLY  44          2HA       GLY  44  11.397   0.234   3.166
  335    H    ASN  45           H        ASN  45   8.010  -0.528   3.395
  336    HA   ASN  45           HA       ASN  45   8.658  -3.218   4.541
  337   1HB   ASN  45          1HB       ASN  45   6.880  -1.099   5.789
  338   2HB   ASN  45          2HB       ASN  45   7.328  -2.649   6.502
  339   1HD2  ASN  45          1HD2      ASN  45   8.651   0.522   5.505
  340   2HD2  ASN  45          2HD2      ASN  45  10.033   0.434   6.486
  341    H    CYS  46           H        CYS  46   7.643  -4.215   2.713
  342    HA   CYS  46           HA       CYS  46   5.334  -3.715   1.331
  343   1HB   CYS  46          1HB       CYS  46   6.778  -5.669   1.051
  344   2HB   CYS  46          2HB       CYS  46   6.256  -6.307   2.604
  345    HA   PRO  47           HA       PRO  47   2.013  -3.436   4.225
  346   1HB   PRO  47          1HB       PRO  47  -0.026  -4.066   2.501
  347   2HB   PRO  47          2HB       PRO  47   0.805  -2.514   2.513
  348   1HG   PRO  47          1HG       PRO  47   1.248  -4.869   0.743
  349   2HG   PRO  47          2HG       PRO  47   1.122  -3.154   0.312
  350   1HD   PRO  47          1HD       PRO  47   3.496  -4.401   0.534
  351   2HD   PRO  47          2HD       PRO  47   3.288  -2.703   1.006
  352    H    GLU  48           H        GLU  48   3.149  -6.266   2.917
  353    HA   GLU  48           HA       GLU  48   1.282  -7.883   4.571
  354   1HB   GLU  48          1HB       GLU  48   2.089  -9.497   2.429
  355   2HB   GLU  48          2HB       GLU  48   0.499  -8.812   2.671
  356   1HG   GLU  48          1HG       GLU  48   2.124  -6.772   1.490
  357   2HG   GLU  48          2HG       GLU  48   2.381  -8.255   0.585
  358    H    CYS  49           H        CYS  49   4.295  -8.421   2.640
  359    HA   CYS  49           HA       CYS  49   5.299 -10.053   4.916
  360   1HB   CYS  49          1HB       CYS  49   6.730 -11.052   3.316
  361   2HB   CYS  49          2HB       CYS  49   5.222 -10.773   2.467
  362    H    GLY  50           H        GLY  50   5.281  -6.928   4.395
  363   1HA   GLY  50          1HA       GLY  50   6.797  -5.127   4.677
  364   2HA   GLY  50          2HA       GLY  50   7.125  -6.032   6.150
  365    H    THR  51           H        THR  51   7.978  -7.318   2.976
  366    HA   THR  51           HA       THR  51  10.621  -7.988   3.599
  367    HB   THR  51           HB       THR  51   9.139  -7.212   1.090
  368    HG1  THR  51           1HG      THR  51  10.065  -9.501   2.374
  369   1HG2  THR  51          1HG2      THR  51  11.652  -6.544   0.973
  370   2HG2  THR  51          2HG2      THR  51  11.000  -7.554  -0.312
  371   3HG2  THR  51          3HG2      THR  51  11.955  -8.280   0.977
  372    HA   PRO  52           HA       PRO  52  12.676  -4.113   3.992
  373   1HB   PRO  52          1HB       PRO  52  15.208  -4.834   3.210
  374   2HB   PRO  52          2HB       PRO  52  14.516  -5.265   4.787
  375   1HG   PRO  52          1HG       PRO  52  14.759  -6.895   2.294
  376   2HG   PRO  52          2HG       PRO  52  15.027  -7.371   3.979
  377   1HD   PRO  52          1HD       PRO  52  12.752  -7.957   2.603
  378   2HD   PRO  52          2HD       PRO  52  12.779  -7.704   4.362
  379    H    LEU  53           H        LEU  53  11.244  -3.567   1.964
  380    HA   LEU  53           HA       LEU  53  12.238  -3.697  -0.694
  381   1HB   LEU  53          1HB       LEU  53  10.376  -1.927   0.868
  382   2HB   LEU  53          2HB       LEU  53  10.747  -1.522  -0.805
  383    HG   LEU  53           HG       LEU  53  10.020  -3.821  -1.480
  384   1HD1  LEU  53          1HD1      LEU  53   8.828  -5.206   0.155
  385   2HD1  LEU  53          2HD1      LEU  53   9.143  -4.015   1.416
  386   3HD1  LEU  53          3HD1      LEU  53  10.479  -4.917   0.701
  387   1HD2  LEU  53          1HD2      LEU  53   7.538  -3.403  -0.620
  388   2HD2  LEU  53          2HD2      LEU  53   8.281  -2.315  -1.793
  389   3HD2  LEU  53          3HD2      LEU  53   8.225  -1.870  -0.088
  390    H    ARG  54           H        ARG  54  13.995  -2.684  -1.596
  391    HA   ARG  54           HA       ARG  54  15.936  -1.183  -0.353
  392   1HB   ARG  54          1HB       ARG  54  16.227  -0.157  -2.714
  393   2HB   ARG  54          2HB       ARG  54  16.268  -1.916  -2.584
  394   1HG   ARG  54          1HG       ARG  54  13.538  -1.090  -2.884
  395   2HG   ARG  54          2HG       ARG  54  14.498  -0.311  -4.142
  396   1HD   ARG  54          1HD       ARG  54  14.346  -3.288  -3.542
  397   2HD   ARG  54          2HD       ARG  54  13.819  -2.459  -5.021
  398    HE   ARG  54           HE       ARG  54  16.256  -1.820  -5.326
  399   1HH1  ARG  54          1HH1      ARG  54  15.885  -3.751  -2.584
  400   2HH1  ARG  54          2HH1      ARG  54  17.174  -4.840  -2.970
  401   1HH2  ARG  54          1HH2      ARG  54  17.704  -3.512  -6.129
  402   2HH2  ARG  54          2HH2      ARG  54  18.204  -4.705  -4.977
  403    H    LYS  55           H        LYS  55  12.766  -0.034  -1.362
  404    HA   LYS  55           HA       LYS  55  12.883   2.307   0.288
  405   1HB   LYS  55          1HB       LYS  55  13.205   3.997  -1.448
  406   2HB   LYS  55          2HB       LYS  55  14.562   2.871  -1.506
  407   1HG   LYS  55          1HG       LYS  55  14.078   2.459  -3.666
  408   2HG   LYS  55          2HG       LYS  55  12.527   1.786  -3.161
  409   1HD   LYS  55          1HD       LYS  55  11.415   3.861  -3.436
  410   2HD   LYS  55          2HD       LYS  55  12.930   4.764  -3.458
  411   1HE   LYS  55          1HE       LYS  55  12.783   2.719  -5.569
  412   2HE   LYS  55          2HE       LYS  55  11.534   3.971  -5.712
  413   1HZ   LYS  55          1HZ       LYS  55  13.961   4.370  -6.609
  414   2HZ   LYS  55          2HZ       LYS  55  14.268   4.767  -4.985
  415   3HZ   LYS  55          3HZ       LYS  55  13.095   5.624  -5.866
  416    H    SER  56           H        SER  56  11.248   3.922  -1.572
  417    HA   SER  56           HA       SER  56   8.710   2.527  -1.167
  418   1HB   SER  56          1HB       SER  56   7.925   4.731  -2.308
  419   2HB   SER  56          2HB       SER  56   8.712   4.855  -0.737
  420    HG   SER  56           HG       SER  56   9.459   6.201  -2.673
  421    H    ASN  57           H        ASN  57   9.559   0.743  -2.771
  422    HA   ASN  57           HA       ASN  57   9.198   1.537  -5.629
  423   1HB   ASN  57          1HB       ASN  57  10.150  -0.830  -5.938
  424   2HB   ASN  57          2HB       ASN  57  11.226   0.341  -5.174
  425   1HD2  ASN  57          1HD2      ASN  57   9.199  -2.504  -4.576
  426   2HD2  ASN  57          2HD2      ASN  57   9.816  -2.833  -3.031
  427    H    PHE  58           H        PHE  58   6.874   1.630  -5.700
  428    HA   PHE  58           HA       PHE  58   5.527  -1.033  -5.399
  429   1HB   PHE  58          1HB       PHE  58   4.604   1.748  -4.589
  430   2HB   PHE  58          2HB       PHE  58   3.572   0.334  -4.515
  431    HD1  PHE  58           1HD      PHE  58   6.910   1.583  -3.360
  432    HD2  PHE  58           2HD      PHE  58   3.622  -1.088  -2.657
  433    HE1  PHE  58           1HE      PHE  58   7.917   0.899  -1.199
  434    HE2  PHE  58           2HE      PHE  58   4.627  -1.758  -0.494
  435    HZ   PHE  58           HZ       PHE  58   6.774  -0.764   0.234
  436    H    ARG  59           H        ARG  59   5.169  -1.624  -7.507
  437    HA   ARG  59           HA       ARG  59   4.493   0.396  -9.565
  438   1HB   ARG  59          1HB       ARG  59   4.707  -1.553 -11.074
  439   2HB   ARG  59          2HB       ARG  59   6.096  -1.394 -10.010
  440   1HG   ARG  59          1HG       ARG  59   4.867  -3.045  -8.449
  441   2HG   ARG  59          2HG       ARG  59   3.819  -3.368  -9.827
  442   1HD   ARG  59          1HD       ARG  59   6.817  -3.801  -9.646
  443   2HD   ARG  59          2HD       ARG  59   5.558  -5.013  -9.953
  444    HE   ARG  59           HE       ARG  59   5.284  -4.090 -12.174
  445   1HH1  ARG  59          1HH2      ARG  59   8.363  -3.830 -11.301
  446   2HH1  ARG  59          2HH2      ARG  59   8.737  -2.363 -12.141
  447   1HH2  ARG  59          1HH1      ARG  59   5.424  -1.587 -12.806
  448   2HH2  ARG  59          2HH1      ARG  59   7.073  -1.093 -12.995
  449    H    VAL  60           H        VAL  60   2.440   1.052  -9.181
  450    HA   VAL  60           HA       VAL  60   0.267  -0.823  -8.569
  451    HB   VAL  60           HB       VAL  60   0.761   1.561  -7.692
  452   1HG1  VAL  60          1HG1      VAL  60   0.975   2.642  -9.887
  453   2HG1  VAL  60          2HG1      VAL  60  -0.376   3.340  -8.992
  454   3HG1  VAL  60          3HG1      VAL  60  -0.680   2.182 -10.287
  455   1HG2  VAL  60          1HG2      VAL  60  -1.961   0.616  -8.611
  456   2HG2  VAL  60          2HG2      VAL  60  -1.736   2.003  -7.545
  457   3HG2  VAL  60          3HG2      VAL  60  -1.230   0.396  -7.022
  458    H    GLN  61           H        GLN  61  -1.687  -0.925  -9.772
  459    HA   GLN  61           HA       GLN  61  -2.029   0.103 -12.438
  460   1HB   GLN  61          1HB       GLN  61  -1.659  -2.157 -13.552
  461   2HB   GLN  61          2HB       GLN  61  -0.188  -1.385 -12.958
  462   1HG   GLN  61          1HG       GLN  61  -0.064  -3.657 -12.228
  463   2HG   GLN  61          2HG       GLN  61  -0.531  -2.726 -10.804
  464   1HE2  GLN  61          1HE2      GLN  61  -2.504  -3.875 -13.600
  465   2HE2  GLN  61          2HE2      GLN  61  -3.619  -4.731 -12.649
  466    H    LEU  62           H        LEU  62  -3.920  -1.216 -13.513
  467    HA   LEU  62           HA       LEU  62  -5.531  -2.856 -11.686
  468   1HB   LEU  62          1HB       LEU  62  -5.674  -0.083 -11.489
  469   2HB   LEU  62          2HB       LEU  62  -7.058  -0.493 -12.504
  470    HG   LEU  62           HG       LEU  62  -7.782  -2.160 -10.817
  471   1HD1  LEU  62          1HD1      LEU  62  -5.344  -1.131  -9.344
  472   2HD1  LEU  62          2HD1      LEU  62  -5.686  -2.792  -9.822
  473   3HD1  LEU  62          3HD1      LEU  62  -6.639  -2.026  -8.552
  474   1HD2  LEU  62          1HD2      LEU  62  -7.703   0.707 -10.492
  475   2HD2  LEU  62          2HD2      LEU  62  -7.664  -0.069  -8.909
  476   3HD2  LEU  62          3HD2      LEU  62  -8.979  -0.421 -10.031
  477    H    PHE  63           H        PHE  63  -4.617  -3.611 -14.141
  478    HA   PHE  63           HA       PHE  63  -6.960  -3.264 -15.983
  479   1HB   PHE  63          1HB       PHE  63  -4.464  -2.530 -16.483
  480   2HB   PHE  63          2HB       PHE  63  -4.250  -4.247 -16.827
  481    HD1  PHE  63           1HD      PHE  63  -5.381  -5.310 -18.708
  482    HD2  PHE  63           2HD      PHE  63  -5.965  -1.144 -17.839
  483    HE1  PHE  63           1HE      PHE  63  -6.428  -4.992 -20.934
  484    HE2  PHE  63           2HE      PHE  63  -7.012  -0.827 -20.065
  485    HZ   PHE  63           HZ       PHE  63  -7.244  -2.751 -21.612
  486    H    GLU  64           H        GLU  64  -8.014  -5.065 -14.755
  487    HA   GLU  64           HA       GLU  64  -7.123  -7.613 -14.213
  488   1HB   GLU  64          1HB       GLU  64  -9.688  -6.587 -15.439
  489   2HB   GLU  64          2HB       GLU  64  -9.502  -8.277 -14.966
  490   1HG   GLU  64          1HG       GLU  64  -8.762  -7.387 -12.676
  491   2HG   GLU  64          2HG       GLU  64  -9.374  -5.820 -13.208
  492    H    ASP  65           H        ASP  65  -5.596  -8.559 -15.595
  493    HA   ASP  65           HA       ASP  65  -6.211  -8.757 -18.499
  494   1HB   ASP  65          1HB       ASP  65  -3.971  -8.052 -17.417
  495   2HB   ASP  65          2HB       ASP  65  -3.773  -9.759 -17.017
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1 -10.010  -3.595  -9.284
    2   2H    MET   1          2HT       MET   1  -9.596  -4.709 -10.500
    3   3H    MET   1          3HT       MET   1  -8.782  -4.732  -9.008
    4    HA   MET   1           HA       MET   1 -11.676  -5.335  -9.370
    5   1HB   MET   1          1HB       MET   1  -9.883  -6.870 -10.396
    6   2HB   MET   1          2HB       MET   1  -9.380  -7.203  -8.738
    7   1HG   MET   1          1HG       MET   1 -10.934  -8.926  -9.262
    8   2HG   MET   1          2HG       MET   1 -11.849  -7.775  -8.287
    9   1HE   MET   1          1HE       MET   1 -13.705  -6.174  -9.182
   10   2HE   MET   1          2HE       MET   1 -14.084  -7.846  -8.780
   11   3HE   MET   1          3HE       MET   1 -14.805  -7.106 -10.207
   12    H    ASP   2           H        ASP   2 -12.570  -4.595  -7.469
   13    HA   ASP   2           HA       ASP   2 -11.286  -4.037  -5.025
   14   1HB   ASP   2          1HB       ASP   2 -13.650  -4.379  -4.126
   15   2HB   ASP   2          2HB       ASP   2 -13.520  -3.296  -5.512
   16    H    ASP   3           H        ASP   3 -11.990  -7.136  -6.424
   17    HA   ASP   3           HA       ASP   3 -12.482  -8.934  -4.423
   18   1HB   ASP   3          1HB       ASP   3 -10.483  -8.903  -6.680
   19   2HB   ASP   3          2HB       ASP   3 -10.628 -10.323  -5.643
   20    H    GLN   4           H        GLN   4  -9.074  -8.105  -5.176
   21    HA   GLN   4           HA       GLN   4  -8.253  -8.858  -2.450
   22   1HB   GLN   4          1HB       GLN   4  -7.129  -8.844  -4.990
   23   2HB   GLN   4          2HB       GLN   4  -6.329  -7.485  -4.198
   24   1HG   GLN   4          1HG       GLN   4  -6.599 -10.040  -2.666
   25   2HG   GLN   4          2HG       GLN   4  -5.398  -9.975  -3.957
   26   1HE2  GLN   4          1HE2      GLN   4  -3.469  -8.806  -3.545
   27   2HE2  GLN   4          2HE2      GLN   4  -3.183  -7.935  -2.116
   28    H    GLY   5           H        GLY   5 -10.058  -6.769  -2.285
   29   1HA   GLY   5          1HA       GLY   5  -9.376  -4.134  -2.471
   30   2HA   GLY   5          2HA       GLY   5 -10.205  -4.761  -1.051
   31    H    CYS   6           H        CYS   6  -8.091  -2.649  -1.399
   32    HA   CYS   6           HA       CYS   6  -5.554  -2.971  -0.655
   33   1HB   CYS   6          1HB       CYS   6  -6.356  -0.808  -0.491
   34   2HB   CYS   6          2HB       CYS   6  -7.792  -1.302   0.397
   35    HA   PRO   7           HA       PRO   7  -5.472  -5.513   3.002
   36   1HB   PRO   7          1HB       PRO   7  -2.761  -5.460   3.326
   37   2HB   PRO   7          2HB       PRO   7  -3.562  -6.407   2.058
   38   1HG   PRO   7          1HG       PRO   7  -1.988  -3.938   1.856
   39   2HG   PRO   7          2HG       PRO   7  -2.360  -5.141   0.617
   40   1HD   PRO   7          1HD       PRO   7  -3.595  -2.586   1.053
   41   2HD   PRO   7          2HD       PRO   7  -3.955  -3.787  -0.205
   42    H    ARG   8           H        ARG   8  -3.341  -2.615   2.979
   43    HA   ARG   8           HA       ARG   8  -3.290  -2.361   5.876
   44   1HB   ARG   8          1HB       ARG   8  -1.726  -1.569   3.829
   45   2HB   ARG   8          2HB       ARG   8  -2.646  -0.082   4.061
   46   1HG   ARG   8          1HG       ARG   8  -1.707   0.339   6.103
   47   2HG   ARG   8          2HG       ARG   8  -1.601  -1.373   6.524
   48   1HD   ARG   8          1HD       ARG   8   0.490  -1.591   5.581
   49   2HD   ARG   8          2HD       ARG   8   0.111  -0.473   4.254
   50    HE   ARG   8           HE       ARG   8   1.166   1.151   5.617
   51   1HH1  ARG   8          1HH2      ARG   8   2.014  -0.773   7.740
   52   2HH1  ARG   8          2HH2      ARG   8   1.209  -0.152   9.143
   53   1HH2  ARG   8          1HH1      ARG   8  -1.004   1.807   7.329
   54   2HH2  ARG   8          2HH1      ARG   8  -0.501   1.309   8.910
   55    H    CYS   9           H        CYS   9  -4.430   0.081   3.528
   56    HA   CYS   9           HA       CYS   9  -6.361   1.077   5.557
   57   1HB   CYS   9          1HB       CYS   9  -6.679   2.590   3.222
   58   2HB   CYS   9          2HB       CYS   9  -5.738   3.039   4.630
   59    H    LYS  10           H        LYS  10  -7.553  -1.150   5.123
   60    HA   LYS  10           HA       LYS  10  -8.842  -1.866   2.788
   61   1HB   LYS  10          1HB       LYS  10 -10.274  -3.105   4.180
   62   2HB   LYS  10          2HB       LYS  10  -8.874  -2.825   5.210
   63   1HG   LYS  10          1HG       LYS  10 -10.225  -0.656   5.900
   64   2HG   LYS  10          2HG       LYS  10 -11.601  -1.606   5.337
   65   1HD   LYS  10          1HD       LYS  10  -9.767  -3.152   7.023
   66   2HD   LYS  10          2HD       LYS  10 -10.453  -1.760   7.863
   67   1HE   LYS  10          1HE       LYS  10 -12.165  -3.285   8.234
   68   2HE   LYS  10          2HE       LYS  10 -12.691  -2.686   6.648
   69   1HZ   LYS  10          1HZ       LYS  10 -11.319  -5.184   7.352
   70   2HZ   LYS  10          2HZ       LYS  10 -10.930  -4.465   5.863
   71   3HZ   LYS  10          3HZ       LYS  10 -12.535  -4.912   6.200
   72    H    THR  11           H        THR  11  -9.275   0.063   1.573
   73    HA   THR  11           HA       THR  11 -11.970   1.003   1.584
   74    HB   THR  11           HB       THR  11 -11.172   2.045   3.722
   75    HG1  THR  11           1HG      THR  11 -11.594   3.826   1.558
   76   1HG2  THR  11          1HG2      THR  11  -9.056   2.791   3.781
   77   2HG2  THR  11          2HG2      THR  11  -9.506   4.072   2.653
   78   3HG2  THR  11          3HG2      THR  11  -8.903   2.528   2.043
   79    H    THR  12           H        THR  12 -10.126   0.155  -0.385
   80    HA   THR  12           HA       THR  12  -9.506   2.708  -1.821
   81    HB   THR  12           HB       THR  12  -7.553   1.476  -2.676
   82    HG1  THR  12           1HG      THR  12  -8.855  -0.606  -2.218
   83   1HG2  THR  12          1HG2      THR  12  -8.165   2.183   0.044
   84   2HG2  THR  12          2HG2      THR  12  -6.660   2.407  -0.846
   85   3HG2  THR  12          3HG2      THR  12  -6.965   0.890   0.005
   86    H    LYS  13           H        LYS  13  -8.664   0.403  -3.934
   87    HA   LYS  13           HA       LYS  13 -10.669   0.850  -5.786
   88   1HB   LYS  13          1HB       LYS  13  -9.344  -0.573  -6.956
   89   2HB   LYS  13          2HB       LYS  13  -8.397  -0.727  -5.489
   90   1HG   LYS  13          1HG       LYS  13 -10.810  -2.474  -5.845
   91   2HG   LYS  13          2HG       LYS  13  -9.312  -2.880  -6.672
   92   1HD   LYS  13          1HD       LYS  13  -8.296  -2.364  -4.246
   93   2HD   LYS  13          2HD       LYS  13  -9.920  -2.836  -3.745
   94   1HE   LYS  13          1HE       LYS  13  -8.198  -4.736  -3.886
   95   2HE   LYS  13          2HE       LYS  13  -9.692  -5.002  -4.801
   96   1HZ   LYS  13          1HZ       LYS  13  -7.225  -5.122  -5.866
   97   2HZ   LYS  13          2HZ       LYS  13  -7.630  -3.502  -6.184
   98   3HZ   LYS  13          3HZ       LYS  13  -8.621  -4.756  -6.755
   99    H    TYR  14           H        TYR  14 -10.823  -1.133  -2.915
  100    HA   TYR  14           HA       TYR  14 -13.260  -2.537  -3.685
  101   1HB   TYR  14          1HB       TYR  14 -11.389  -3.165  -1.978
  102   2HB   TYR  14          2HB       TYR  14 -12.269  -2.112  -0.880
  103    HD1  TYR  14           1HD      TYR  14 -11.922  -5.060  -0.402
  104    HD2  TYR  14           2HD      TYR  14 -14.974  -2.882  -2.498
  105    HE1  TYR  14           1HE      TYR  14 -13.535  -6.889   0.045
  106    HE2  TYR  14           2HE      TYR  14 -16.587  -4.711  -2.048
  107    HH   TYR  14           HH       TYR  14 -16.906  -6.688  -1.110
  108    H    ARG  15           H        ARG  15 -12.461   0.116  -1.468
  109    HA   ARG  15           HA       ARG  15 -15.312   0.905  -1.231
  110   1HB   ARG  15          1HB       ARG  15 -12.668   1.591   0.014
  111   2HB   ARG  15          2HB       ARG  15 -14.013   2.700   0.218
  112   1HG   ARG  15          1HG       ARG  15 -13.780   0.993   2.068
  113   2HG   ARG  15          2HG       ARG  15 -15.351   0.983   1.267
  114   1HD   ARG  15          1HD       ARG  15 -14.585  -1.323   1.506
  115   2HD   ARG  15          2HD       ARG  15 -14.488  -0.891  -0.207
  116    HE   ARG  15           HE       ARG  15 -12.058  -0.583   0.089
  117   1HH1  ARG  15          1HH1      ARG  15 -13.578  -1.185   3.082
  118   2HH1  ARG  15          2HH1      ARG  15 -12.306  -2.187   3.699
  119   1HH2  ARG  15          1HH2      ARG  15 -10.509  -2.186   0.734
  120   2HH2  ARG  15          2HH2      ARG  15 -10.569  -2.753   2.369
  121    H    ASN  16           H        ASN  16 -12.250   2.549  -1.870
  122    HA   ASN  16           HA       ASN  16 -13.362   4.794  -3.308
  123   1HB   ASN  16          1HB       ASN  16 -10.887   3.759  -2.244
  124   2HB   ASN  16          2HB       ASN  16 -10.596   4.375  -3.861
  125   1HD2  ASN  16          1HD2      ASN  16  -9.307   5.941  -2.278
  126   2HD2  ASN  16          2HD2      ASN  16 -10.150   7.333  -1.789
  127    HA   PRO  17           HA       PRO  17 -13.558   2.264  -7.044
  128   1HB   PRO  17          1HB       PRO  17 -15.381   3.847  -8.332
  129   2HB   PRO  17          2HB       PRO  17 -15.833   2.648  -7.106
  130   1HG   PRO  17          1HG       PRO  17 -15.680   5.595  -6.924
  131   2HG   PRO  17          2HG       PRO  17 -16.707   4.460  -6.041
  132   1HD   PRO  17          1HD       PRO  17 -14.367   5.713  -5.094
  133   2HD   PRO  17          2HD       PRO  17 -15.243   4.375  -4.320
  134    H    SER  18           H        SER  18 -11.546   4.448  -6.522
  135    HA   SER  18           HA       SER  18 -10.940   5.070  -9.351
  136   1HB   SER  18          1HB       SER  18 -10.520   7.509  -8.455
  137   2HB   SER  18          2HB       SER  18 -12.164   7.019  -8.855
  138    HG   SER  18           HG       SER  18 -12.239   7.908  -6.837
  139    H    LEU  19           H        LEU  19  -9.813   3.385  -7.210
  140    HA   LEU  19           HA       LEU  19  -7.155   4.726  -6.830
  141   1HB   LEU  19          1HB       LEU  19  -8.452   4.439  -4.771
  142   2HB   LEU  19          2HB       LEU  19  -8.694   2.733  -5.136
  143    HG   LEU  19           HG       LEU  19  -5.897   3.793  -4.993
  144   1HD1  LEU  19          1HD1      LEU  19  -6.617   4.664  -2.943
  145   2HD1  LEU  19          2HD1      LEU  19  -6.079   3.045  -2.497
  146   3HD1  LEU  19          3HD1      LEU  19  -7.798   3.376  -2.706
  147   1HD2  LEU  19          1HD2      LEU  19  -5.676   1.577  -5.447
  148   2HD2  LEU  19          2HD2      LEU  19  -7.322   1.217  -4.932
  149   3HD2  LEU  19          3HD2      LEU  19  -6.034   1.356  -3.736
  150    H    LYS  20           H        LYS  20  -5.300   3.275  -6.962
  151    HA   LYS  20           HA       LYS  20  -5.866   0.694  -8.383
  152   1HB   LYS  20          1HB       LYS  20  -3.563   1.336  -9.491
  153   2HB   LYS  20          2HB       LYS  20  -5.040   2.106 -10.065
  154   1HG   LYS  20          1HG       LYS  20  -4.601   4.029  -8.560
  155   2HG   LYS  20          2HG       LYS  20  -3.105   3.262  -8.031
  156   1HD   LYS  20          1HD       LYS  20  -2.311   4.652  -9.722
  157   2HD   LYS  20          2HD       LYS  20  -2.610   3.170 -10.629
  158   1HE   LYS  20          1HE       LYS  20  -3.608   5.016 -11.868
  159   2HE   LYS  20          2HE       LYS  20  -4.935   4.087 -11.142
  160   1HZ   LYS  20          1HZ       LYS  20  -3.718   6.136  -9.469
  161   2HZ   LYS  20          2HZ       LYS  20  -5.353   5.710  -9.641
  162   3HZ   LYS  20          3HZ       LYS  20  -4.609   6.716 -10.790
  163    H    LEU  21           H        LEU  21  -4.313  -1.004  -7.952
  164    HA   LEU  21           HA       LEU  21  -2.917  -0.659  -5.340
  165   1HB   LEU  21          1HB       LEU  21  -4.142  -2.897  -6.913
  166   2HB   LEU  21          2HB       LEU  21  -2.888  -3.287  -5.739
  167    HG   LEU  21           HG       LEU  21  -4.173  -2.503  -3.926
  168   1HD1  LEU  21          1HD1      LEU  21  -4.790  -0.325  -5.054
  169   2HD1  LEU  21          2HD1      LEU  21  -6.106  -1.042  -4.123
  170   3HD1  LEU  21          3HD1      LEU  21  -6.088  -1.187  -5.881
  171   1HD2  LEU  21          1HD2      LEU  21  -5.256  -4.482  -4.411
  172   2HD2  LEU  21          2HD2      LEU  21  -5.764  -3.936  -6.009
  173   3HD2  LEU  21          3HD2      LEU  21  -6.608  -3.360  -4.570
  174    H    MET  22           H        MET  22  -0.669  -0.932  -5.186
  175    HA   MET  22           HA       MET  22   0.736  -1.410  -7.774
  176   1HB   MET  22          1HB       MET  22   2.356  -0.362  -5.612
  177   2HB   MET  22          2HB       MET  22   2.058   0.337  -7.179
  178   1HG   MET  22          1HG       MET  22  -0.068   1.287  -6.358
  179   2HG   MET  22          2HG       MET  22   0.242   0.591  -4.770
  180   1HE   MET  22          1HE       MET  22  -0.486   3.209  -5.806
  181   2HE   MET  22          2HE       MET  22   0.757   4.376  -6.251
  182   3HE   MET  22          3HE       MET  22   0.258   4.230  -4.567
  183    H    VAL  23           H        VAL  23   2.241  -3.029  -7.911
  184    HA   VAL  23           HA       VAL  23   2.410  -4.906  -5.594
  185    HB   VAL  23           HB       VAL  23   2.723  -5.052  -8.584
  186   1HG1  VAL  23          1HG1      VAL  23   3.652  -7.152  -6.600
  187   2HG1  VAL  23          2HG1      VAL  23   4.695  -6.213  -7.668
  188   3HG1  VAL  23          3HG1      VAL  23   3.552  -7.371  -8.348
  189   1HG2  VAL  23          1HG2      VAL  23   1.177  -6.661  -6.529
  190   2HG2  VAL  23          2HG2      VAL  23   1.126  -6.927  -8.272
  191   3HG2  VAL  23          3HG2      VAL  23   0.509  -5.422  -7.593
  192    H    ASN  24           H        ASN  24   4.706  -6.046  -5.524
  193    HA   ASN  24           HA       ASN  24   6.878  -4.116  -6.184
  194   1HB   ASN  24          1HB       ASN  24   7.664  -4.579  -3.741
  195   2HB   ASN  24          2HB       ASN  24   6.367  -3.413  -4.013
  196   1HD2  ASN  24          1HD2      ASN  24   4.771  -3.713  -2.464
  197   2HD2  ASN  24          2HD2      ASN  24   4.230  -5.214  -1.888
  198    H    VAL  25           H        VAL  25   9.034  -5.111  -5.415
  199    HA   VAL  25           HA       VAL  25   9.897  -7.219  -6.864
  200    HB   VAL  25           HB       VAL  25  11.429  -5.969  -5.576
  201   1HG1  VAL  25          1HG1      VAL  25  10.929  -5.158  -3.541
  202   2HG1  VAL  25          2HG1      VAL  25  10.814  -6.786  -2.875
  203   3HG1  VAL  25          3HG1      VAL  25   9.401  -6.032  -3.611
  204   1HG2  VAL  25          1HG2      VAL  25  11.702  -8.591  -5.650
  205   2HG2  VAL  25          2HG2      VAL  25  11.439  -8.456  -3.911
  206   3HG2  VAL  25          3HG2      VAL  25  12.791  -7.612  -4.666
  207    H    CYS  26           H        CYS  26   8.868  -7.789  -3.439
  208    HA   CYS  26           HA       CYS  26   8.876 -10.657  -3.772
  209   1HB   CYS  26          1HB       CYS  26   7.698 -10.512  -1.534
  210   2HB   CYS  26          2HB       CYS  26   9.211  -9.612  -1.622
  211    H    GLY  27           H        GLY  27   6.746  -8.351  -4.957
  212   1HA   GLY  27          1HA       GLY  27   4.808  -8.852  -6.271
  213   2HA   GLY  27          2HA       GLY  27   4.728 -10.438  -5.503
  214    H    HIS  28           H        HIS  28   3.281 -10.687  -3.858
  215    HA   HIS  28           HA       HIS  28   1.453 -10.108  -2.481
  216   1HB   HIS  28          1HB       HIS  28   3.671  -8.162  -1.807
  217   2HB   HIS  28          2HB       HIS  28   2.210  -8.302  -0.829
  218    HD2  HIS  28           2HD      HIS  28   1.885 -11.576  -0.978
  219    HE1  HIS  28           1HE      HIS  28   5.757 -11.732   0.673
  220    HE2  HIS  28           2HE      HIS  28   3.647 -13.057   0.233
  221    H    THR  29           H        THR  29   1.260  -7.044  -1.723
  222    HA   THR  29           HA       THR  29   0.553  -5.701  -4.183
  223    HB   THR  29           HB       THR  29  -1.349  -7.522  -2.802
  224    HG1  THR  29           1HG      THR  29  -0.326  -7.542  -5.036
  225   1HG2  THR  29          1HG2      THR  29  -2.619  -5.597  -2.332
  226   2HG2  THR  29          2HG2      THR  29  -3.245  -6.107  -3.900
  227   3HG2  THR  29          3HG2      THR  29  -2.091  -4.777  -3.802
  228    H    LEU  30           H        LEU  30   0.077  -3.543  -3.763
  229    HA   LEU  30           HA       LEU  30  -0.503  -2.733  -0.932
  230   1HB   LEU  30          1HB       LEU  30   1.946  -2.722  -1.679
  231   2HB   LEU  30          2HB       LEU  30   1.517  -1.413  -2.759
  232    HG   LEU  30           HG       LEU  30   0.620  -0.227  -0.705
  233   1HD1  LEU  30          1HD1      LEU  30   2.104  -2.472   0.618
  234   2HD1  LEU  30          2HD1      LEU  30   0.405  -2.047   0.813
  235   3HD1  LEU  30          3HD1      LEU  30   1.659  -0.980   1.442
  236   1HD2  LEU  30          1HD2      LEU  30   2.694   0.742  -0.278
  237   2HD2  LEU  30          2HD2      LEU  30   2.954   0.002  -1.855
  238   3HD2  LEU  30          3HD2      LEU  30   3.537  -0.797  -0.395
  239    H    CYS  31           H        CYS  31  -2.622  -1.949  -1.409
  240    HA   CYS  31           HA       CYS  31  -3.568  -0.732  -3.715
  241   1HB   CYS  31          1HB       CYS  31  -5.387  -0.333  -2.410
  242   2HB   CYS  31          2HB       CYS  31  -4.479  -1.185  -1.176
  243    H    GLU  32           H        GLU  32  -4.063   1.708  -3.993
  244    HA   GLU  32           HA       GLU  32  -1.532   3.111  -4.108
  245   1HB   GLU  32          1HB       GLU  32  -2.767   4.417  -5.496
  246   2HB   GLU  32          2HB       GLU  32  -4.119   3.343  -5.168
  247   1HG   GLU  32          1HG       GLU  32  -4.793   4.762  -3.264
  248   2HG   GLU  32          2HG       GLU  32  -3.427   5.831  -3.575
  249    H    SER  33           H        SER  33  -4.345   3.303  -1.960
  250    HA   SER  33           HA       SER  33  -3.397   5.421  -0.296
  251   1HB   SER  33          1HB       SER  33  -5.207   3.143   0.544
  252   2HB   SER  33          2HB       SER  33  -5.251   4.821   1.074
  253    HG   SER  33           HG       SER  33  -6.570   5.155  -0.492
  254    H    CYS  34           H        CYS  34  -2.211   2.190  -0.583
  255    HA   CYS  34           HA       CYS  34  -1.400   1.966   2.250
  256   1HB   CYS  34          1HB       CYS  34  -1.107   0.354  -0.275
  257   2HB   CYS  34          2HB       CYS  34  -0.015   0.056   1.075
  258    H    VAL  35           H        VAL  35   0.359   2.121  -0.870
  259    HA   VAL  35           HA       VAL  35   2.961   2.491  -0.025
  260    HB   VAL  35           HB       VAL  35   1.279   3.200  -2.323
  261   1HG1  VAL  35          1HG1      VAL  35   3.081   4.715  -3.310
  262   2HG1  VAL  35          2HG1      VAL  35   3.681   4.919  -1.664
  263   3HG1  VAL  35          3HG1      VAL  35   2.053   5.452  -2.082
  264   1HG2  VAL  35          1HG2      VAL  35   3.933   2.717  -3.098
  265   2HG2  VAL  35          2HG2      VAL  35   2.606   1.554  -3.058
  266   3HG2  VAL  35          3HG2      VAL  35   3.669   1.724  -1.669
  267    H    ASP  36           H        ASP  36   0.298   4.735   0.362
  268    HA   ASP  36           HA       ASP  36   1.933   7.057   0.989
  269   1HB   ASP  36          1HB       ASP  36  -0.113   8.033   0.831
  270   2HB   ASP  36          2HB       ASP  36  -0.734   6.444   0.407
  271    H    LEU  37           H        LEU  37  -0.075   4.914   3.095
  272    HA   LEU  37           HA       LEU  37   1.186   5.980   5.501
  273   1HB   LEU  37          1HB       LEU  37  -0.846   3.927   4.745
  274   2HB   LEU  37          2HB       LEU  37  -0.127   3.818   6.353
  275    HG   LEU  37           HG       LEU  37  -0.701   6.536   6.031
  276   1HD1  LEU  37          1HD1      LEU  37  -3.361   5.542   5.583
  277   2HD1  LEU  37          2HD1      LEU  37  -2.333   5.059   4.235
  278   3HD1  LEU  37          3HD1      LEU  37  -2.477   6.762   4.669
  279   1HD2  LEU  37          1HD2      LEU  37  -2.803   5.598   7.499
  280   2HD2  LEU  37          2HD2      LEU  37  -1.176   5.811   8.145
  281   3HD2  LEU  37          3HD2      LEU  37  -1.703   4.223   7.587
  282    H    LEU  38           H        LEU  38   1.558   3.109   3.507
  283    HA   LEU  38           HA       LEU  38   3.113   1.471   5.171
  284   1HB   LEU  38          1HB       LEU  38   2.146   1.329   2.697
  285   2HB   LEU  38          2HB       LEU  38   3.791   1.802   2.274
  286    HG   LEU  38           HG       LEU  38   3.830  -0.572   2.288
  287   1HD1  LEU  38          1HD1      LEU  38   5.556   0.713   3.777
  288   2HD1  LEU  38          2HD1      LEU  38   5.459  -1.042   3.910
  289   3HD1  LEU  38          3HD1      LEU  38   4.685  -0.022   5.123
  290   1HD2  LEU  38          1HD2      LEU  38   2.921  -1.880   4.217
  291   2HD2  LEU  38          2HD2      LEU  38   1.679  -0.959   3.370
  292   3HD2  LEU  38          3HD2      LEU  38   2.313  -0.377   4.909
  293    H    PHE  39           H        PHE  39   4.340   3.933   2.852
  294    HA   PHE  39           HA       PHE  39   7.042   3.586   3.932
  295   1HB   PHE  39          1HB       PHE  39   6.068   5.499   1.818
  296   2HB   PHE  39          2HB       PHE  39   7.702   4.866   2.024
  297    HD1  PHE  39           1HD      PHE  39   6.023   4.630  -0.523
  298    HD2  PHE  39           2HD      PHE  39   6.491   2.026   2.860
  299    HE1  PHE  39           1HE      PHE  39   5.409   2.682  -1.927
  300    HE2  PHE  39           2HE      PHE  39   5.877   0.081   1.456
  301    HZ   PHE  39           HZ       PHE  39   5.306   0.411  -0.929
  302    H    VAL  40           H        VAL  40   4.510   6.065   4.178
  303    HA   VAL  40           HA       VAL  40   6.176   8.202   5.035
  304    HB   VAL  40           HB       VAL  40   4.102   8.975   6.221
  305   1HG1  VAL  40          1HG1      VAL  40   2.646   8.674   4.031
  306   2HG1  VAL  40          2HG1      VAL  40   4.163   8.045   3.389
  307   3HG1  VAL  40          3HG1      VAL  40   4.090   9.686   4.031
  308   1HG2  VAL  40          1HG2      VAL  40   2.071   7.549   5.902
  309   2HG2  VAL  40          2HG2      VAL  40   3.249   6.866   7.020
  310   3HG2  VAL  40          3HG2      VAL  40   3.128   6.241   5.377
  311    H    ARG  41           H        ARG  41   5.505   5.193   6.619
  312    HA   ARG  41           HA       ARG  41   6.435   6.310   9.238
  313   1HB   ARG  41          1HB       ARG  41   5.778   3.476   9.236
  314   2HB   ARG  41          2HB       ARG  41   5.056   4.778  10.173
  315   1HG   ARG  41          1HG       ARG  41   3.857   5.355   7.899
  316   2HG   ARG  41          2HG       ARG  41   4.231   3.674   7.518
  317   1HD   ARG  41          1HD       ARG  41   3.079   4.126  10.216
  318   2HD   ARG  41          2HD       ARG  41   1.980   4.421   8.853
  319    HE   ARG  41           HE       ARG  41   1.946   2.063   8.648
  320   1HH1  ARG  41          1HH2      ARG  41   3.544   1.537  11.110
  321   2HH1  ARG  41          2HH2      ARG  41   4.922   0.695  10.485
  322   1HH2  ARG  41          1HH1      ARG  41   4.370   1.683   7.207
  323   2HH2  ARG  41          2HH1      ARG  41   5.390   0.777   8.274
  324    H    GLY  42           H        GLY  42   7.145   3.649   6.932
  325   1HA   GLY  42          1HA       GLY  42   9.939   3.678   7.979
  326   2HA   GLY  42          2HA       GLY  42   9.085   2.146   7.824
  327    H    ALA  43           H        ALA  43   7.787   2.591   5.324
  328    HA   ALA  43           HA       ALA  43   8.252   2.581   2.974
  329   1HB   ALA  43          1HB       ALA  43  10.940   3.778   3.504
  330   2HB   ALA  43          2HB       ALA  43   9.520   4.725   3.946
  331   3HB   ALA  43          3HB       ALA  43   9.748   4.205   2.277
  332    H    GLY  44           H        GLY  44   8.459   0.252   3.011
  333   1HA   GLY  44          1HA       GLY  44  10.134  -1.227   1.812
  334   2HA   GLY  44          2HA       GLY  44  11.290  -0.706   3.037
  335    H    ASN  45           H        ASN  45   7.883  -1.828   3.220
  336    HA   ASN  45           HA       ASN  45   8.781  -4.172   4.810
  337   1HB   ASN  45          1HB       ASN  45   7.542  -1.697   5.822
  338   2HB   ASN  45          2HB       ASN  45   6.756  -3.174   6.378
  339   1HD2  ASN  45          1HD2      ASN  45   7.868  -4.444   7.940
  340   2HD2  ASN  45          2HD2      ASN  45   9.410  -4.060   8.535
  341    H    CYS  46           H        CYS  46   6.948  -3.141   2.342
  342    HA   CYS  46           HA       CYS  46   5.016  -3.987   1.241
  343   1HB   CYS  46          1HB       CYS  46   6.664  -5.958   1.990
  344   2HB   CYS  46          2HB       CYS  46   5.297  -6.393   3.004
  345    HA   PRO  47           HA       PRO  47   1.709  -3.498   4.184
  346   1HB   PRO  47          1HB       PRO  47  -0.413  -4.330   2.701
  347   2HB   PRO  47          2HB       PRO  47   0.448  -2.845   2.380
  348   1HG   PRO  47          1HG       PRO  47   0.500  -5.408   0.941
  349   2HG   PRO  47          2HG       PRO  47   0.771  -3.784   0.320
  350   1HD   PRO  47          1HD       PRO  47   2.688  -5.723   1.001
  351   2HD   PRO  47          2HD       PRO  47   3.018  -4.044   0.534
  352    H    GLU  48           H        GLU  48   3.066  -6.306   3.474
  353    HA   GLU  48           HA       GLU  48   1.397  -7.855   5.346
  354   1HB   GLU  48          1HB       GLU  48   1.390  -9.709   3.583
  355   2HB   GLU  48          2HB       GLU  48   0.363  -8.327   3.243
  356   1HG   GLU  48          1HG       GLU  48   1.445  -8.516   1.204
  357   2HG   GLU  48          2HG       GLU  48   2.580  -7.447   2.026
  358    H    CYS  49           H        CYS  49   4.303  -7.915   3.195
  359    HA   CYS  49           HA       CYS  49   5.672  -9.442   5.367
  360   1HB   CYS  49          1HB       CYS  49   6.722 -10.741   3.790
  361   2HB   CYS  49          2HB       CYS  49   5.284 -10.354   2.876
  362    H    GLY  50           H        GLY  50   6.760  -8.004   6.536
  363   1HA   GLY  50          1HA       GLY  50   7.731  -5.474   5.709
  364   2HA   GLY  50          2HA       GLY  50   8.228  -6.311   7.168
  365    H    THR  51           H        THR  51   8.699  -6.802   3.628
  366    HA   THR  51           HA       THR  51  11.287  -8.012   3.944
  367    HB   THR  51           HB       THR  51   9.843  -8.215   1.940
  368    HG1  THR  51           1HG      THR  51  12.076  -8.476   1.679
  369   1HG2  THR  51          1HG2      THR  51   9.557  -6.347   0.410
  370   2HG2  THR  51          2HG2      THR  51  10.552  -5.312   1.438
  371   3HG2  THR  51          3HG2      THR  51   8.979  -5.873   2.008
  372    HA   PRO  52           HA       PRO  52  13.634  -4.438   4.935
  373   1HB   PRO  52          1HB       PRO  52  16.103  -5.324   4.126
  374   2HB   PRO  52          2HB       PRO  52  15.309  -5.861   5.620
  375   1HG   PRO  52          1HG       PRO  52  15.465  -7.197   2.951
  376   2HG   PRO  52          2HG       PRO  52  15.629  -7.898   4.570
  377   1HD   PRO  52          1HD       PRO  52  13.350  -8.074   3.095
  378   2HD   PRO  52          2HD       PRO  52  13.346  -8.018   4.873
  379    H    LEU  53           H        LEU  53  12.371  -3.425   2.979
  380    HA   LEU  53           HA       LEU  53  13.993  -3.171   0.513
  381   1HB   LEU  53          1HB       LEU  53  11.239  -2.629   1.476
  382   2HB   LEU  53          2HB       LEU  53  11.842  -1.510   0.251
  383    HG   LEU  53           HG       LEU  53  11.977  -4.528  -0.025
  384   1HD1  LEU  53          1HD1      LEU  53   9.885  -2.544  -0.942
  385   2HD1  LEU  53          2HD1      LEU  53   9.647  -3.997   0.030
  386   3HD1  LEU  53          3HD1      LEU  53  10.077  -4.138  -1.675
  387   1HD2  LEU  53          1HD2      LEU  53  13.492  -3.737  -1.575
  388   2HD2  LEU  53          2HD2      LEU  53  12.711  -2.161  -1.689
  389   3HD2  LEU  53          3HD2      LEU  53  12.019  -3.550  -2.526
  390    H    ARG  54           H        ARG  54  13.818  -0.581  -0.237
  391    HA   ARG  54           HA       ARG  54  14.290   1.303   1.946
  392   1HB   ARG  54          1HB       ARG  54  16.394  -0.409   1.022
  393   2HB   ARG  54          2HB       ARG  54  16.781   1.246   0.552
  394   1HG   ARG  54          1HG       ARG  54  16.354   1.974   2.897
  395   2HG   ARG  54          2HG       ARG  54  16.068   0.291   3.344
  396   1HD   ARG  54          1HD       ARG  54  18.406   0.947   3.855
  397   2HD   ARG  54          2HD       ARG  54  18.379  -0.271   2.563
  398    HE   ARG  54           HE       ARG  54  18.176   2.318   1.375
  399   1HH1  ARG  54          1HH1      ARG  54  20.257  -0.161   1.396
  400   2HH1  ARG  54          2HH1      ARG  54  21.722   0.762   1.461
  401   1HH2  ARG  54          1HH2      ARG  54  20.123   3.747   2.206
  402   2HH2  ARG  54          2HH2      ARG  54  21.646   2.973   1.919
  403    H    LYS  55           H        LYS  55  12.632   1.396  -0.384
  404    HA   LYS  55           HA       LYS  55  13.325   3.963  -1.457
  405   1HB   LYS  55          1HB       LYS  55  14.502   3.449  -3.364
  406   2HB   LYS  55          2HB       LYS  55  14.965   2.047  -2.410
  407   1HG   LYS  55          1HG       LYS  55  12.833   2.198  -4.553
  408   2HG   LYS  55          2HG       LYS  55  14.293   1.214  -4.549
  409   1HD   LYS  55          1HD       LYS  55  12.825   0.581  -2.185
  410   2HD   LYS  55          2HD       LYS  55  11.698   0.544  -3.535
  411   1HE   LYS  55          1HE       LYS  55  14.242  -1.056  -3.183
  412   2HE   LYS  55          2HE       LYS  55  12.597  -1.649  -3.483
  413   1HZ   LYS  55          1HZ       LYS  55  12.958   0.030  -5.540
  414   2HZ   LYS  55          2HZ       LYS  55  13.283  -1.635  -5.623
  415   3HZ   LYS  55          3HZ       LYS  55  14.544  -0.534  -5.335
  416    H    SER  56           H        SER  56  11.009   2.155  -0.576
  417    HA   SER  56           HA       SER  56   8.801   1.641  -1.261
  418   1HB   SER  56          1HB       SER  56   8.194   3.793  -0.899
  419   2HB   SER  56          2HB       SER  56   9.570   4.429  -1.795
  420    HG   SER  56           HG       SER  56   7.485   4.812  -2.781
  421    H    ASN  57           H        ASN  57   9.479  -0.099  -2.801
  422    HA   ASN  57           HA       ASN  57   9.490   0.720  -5.679
  423   1HB   ASN  57          1HB       ASN  57  10.322  -1.649  -5.948
  424   2HB   ASN  57          2HB       ASN  57  11.349  -0.656  -4.916
  425   1HD2  ASN  57          1HD2      ASN  57   9.062  -3.340  -4.949
  426   2HD2  ASN  57          2HD2      ASN  57   9.323  -3.826  -3.345
  427    H    PHE  58           H        PHE  58   7.049   1.096  -5.340
  428    HA   PHE  58           HA       PHE  58   5.594  -1.507  -5.599
  429   1HB   PHE  58          1HB       PHE  58   4.656   1.115  -4.354
  430   2HB   PHE  58          2HB       PHE  58   3.744  -0.380  -4.400
  431    HD1  PHE  58           1HD      PHE  58   3.809  -1.772  -2.569
  432    HD2  PHE  58           2HD      PHE  58   7.191   0.757  -3.352
  433    HE1  PHE  58           1HE      PHE  58   4.939  -2.648  -0.543
  434    HE2  PHE  58           2HE      PHE  58   8.319  -0.126  -1.332
  435    HZ   PHE  58           HZ       PHE  58   7.193  -1.826   0.075
  436    H    ARG  59           H        ARG  59   5.161  -1.694  -7.741
  437    HA   ARG  59           HA       ARG  59   4.726   0.674  -9.435
  438   1HB   ARG  59          1HB       ARG  59   4.586  -1.089 -11.210
  439   2HB   ARG  59          2HB       ARG  59   6.046  -1.203 -10.236
  440   1HG   ARG  59          1HG       ARG  59   4.296  -2.788  -8.814
  441   2HG   ARG  59          2HG       ARG  59   3.796  -3.089 -10.476
  442   1HD   ARG  59          1HD       ARG  59   5.522  -4.693 -10.050
  443   2HD   ARG  59          2HD       ARG  59   6.328  -3.405 -10.968
  444    HE   ARG  59           HE       ARG  59   6.625  -3.931  -8.068
  445   1HH1  ARG  59          1HH2      ARG  59   8.302  -2.969 -10.715
  446   2HH1  ARG  59          2HH2      ARG  59   9.039  -1.571 -10.006
  447   1HH2  ARG  59          1HH1      ARG  59   7.061  -1.643  -7.160
  448   2HH2  ARG  59          2HH1      ARG  59   8.337  -0.820  -7.993
  449    H    VAL  60           H        VAL  60   2.796   1.586  -9.273
  450    HA   VAL  60           HA       VAL  60   0.375   0.060  -8.619
  451    HB   VAL  60           HB       VAL  60   1.080   2.217  -7.608
  452   1HG1  VAL  60          1HG1      VAL  60   1.781   2.992 -10.067
  453   2HG1  VAL  60          2HG1      VAL  60   1.290   4.163  -8.843
  454   3HG1  VAL  60          3HG1      VAL  60   0.139   3.634 -10.071
  455   1HG2  VAL  60          1HG2      VAL  60  -1.140   3.184  -7.601
  456   2HG2  VAL  60          2HG2      VAL  60  -1.329   1.437  -7.731
  457   3HG2  VAL  60          3HG2      VAL  60  -1.520   2.452  -9.160
  458    H    GLN  61           H        GLN  61  -1.488  -0.006  -9.866
  459    HA   GLN  61           HA       GLN  61  -1.897   1.200 -12.422
  460   1HB   GLN  61          1HB       GLN  61  -1.357  -0.742 -13.848
  461   2HB   GLN  61          2HB       GLN  61   0.075  -0.233 -12.954
  462   1HG   GLN  61          1HG       GLN  61  -1.513  -2.150 -11.439
  463   2HG   GLN  61          2HG       GLN  61  -1.020  -2.806 -13.000
  464   1HE2  GLN  61          1HE2      GLN  61   0.331  -4.201 -11.331
  465   2HE2  GLN  61          2HE2      GLN  61   1.872  -3.603 -10.947
  466    H    LEU  62           H        LEU  62  -3.742  -0.141 -13.608
  467    HA   LEU  62           HA       LEU  62  -5.212  -2.135 -12.159
  468   1HB   LEU  62          1HB       LEU  62  -5.241   0.202 -10.831
  469   2HB   LEU  62          2HB       LEU  62  -6.595   0.499 -11.920
  470    HG   LEU  62           HG       LEU  62  -7.342  -1.916 -11.171
  471   1HD1  LEU  62          1HD1      LEU  62  -6.473  -2.750  -9.203
  472   2HD1  LEU  62          2HD1      LEU  62  -6.064  -1.150  -8.584
  473   3HD1  LEU  62          3HD1      LEU  62  -5.039  -1.914  -9.798
  474   1HD2  LEU  62          1HD2      LEU  62  -7.764  -0.122  -8.890
  475   2HD2  LEU  62          2HD2      LEU  62  -8.939  -0.785 -10.027
  476   3HD2  LEU  62          3HD2      LEU  62  -8.034   0.670 -10.443
  477    H    PHE  63           H        PHE  63  -6.283   0.876 -13.789
  478    HA   PHE  63           HA       PHE  63  -8.358  -0.085 -15.327
  479   1HB   PHE  63          1HB       PHE  63  -7.570   2.248 -15.244
  480   2HB   PHE  63          2HB       PHE  63  -6.135   1.806 -16.170
  481    HD1  PHE  63           1HD      PHE  63  -9.345   0.186 -16.885
  482    HD2  PHE  63           2HD      PHE  63  -6.721   3.413 -17.961
  483    HE1  PHE  63           1HE      PHE  63 -10.607   0.509 -18.994
  484    HE2  PHE  63           2HE      PHE  63  -7.983   3.735 -20.071
  485    HZ   PHE  63           HZ       PHE  63  -9.926   2.283 -20.587
  486    H    GLU  64           H        GLU  64  -8.043  -2.254 -16.055
  487    HA   GLU  64           HA       GLU  64  -5.729  -2.966 -17.713
  488   1HB   GLU  64          1HB       GLU  64  -8.258  -4.283 -16.731
  489   2HB   GLU  64          2HB       GLU  64  -7.241  -5.084 -17.929
  490   1HG   GLU  64          1HG       GLU  64  -5.357  -5.097 -16.441
  491   2HG   GLU  64          2HG       GLU  64  -6.164  -4.011 -15.309
  492    H    ASP  65           H        ASP  65  -6.289  -4.102 -19.898
  493    HA   ASP  65           HA       ASP  65  -7.597  -2.157 -21.624
  494   1HB   ASP  65          1HB       ASP  65  -5.709  -4.229 -21.800
  495   2HB   ASP  65          2HB       ASP  65  -7.066  -4.772 -22.786
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1 -13.983  -4.234  -4.140
    2   2H    MET   1          2HT       MET   1 -15.097  -5.435  -4.591
    3   3H    MET   1          3HT       MET   1 -13.432  -5.686  -4.822
    4    HA   MET   1           HA       MET   1 -14.842  -5.492  -2.207
    5   1HB   MET   1          1HB       MET   1 -13.414  -7.726  -3.688
    6   2HB   MET   1          2HB       MET   1 -14.185  -7.873  -2.107
    7   1HG   MET   1          1HG       MET   1 -16.337  -7.093  -3.231
    8   2HG   MET   1          2HG       MET   1 -15.509  -7.312  -4.772
    9   1HE   MET   1          1HE       MET   1 -17.622 -10.344  -5.083
   10   2HE   MET   1          2HE       MET   1 -17.325  -8.651  -5.468
   11   3HE   MET   1          3HE       MET   1 -18.262  -9.070  -4.037
   12    H    ASP   2           H        ASP   2 -13.511  -4.779  -0.592
   13    HA   ASP   2           HA       ASP   2 -10.675  -4.262  -1.112
   14   1HB   ASP   2          1HB       ASP   2 -10.806  -3.299   1.166
   15   2HB   ASP   2          2HB       ASP   2 -12.152  -2.747   0.168
   16    H    ASP   3           H        ASP   3 -12.463  -6.937   0.010
   17    HA   ASP   3           HA       ASP   3 -10.889  -8.053   2.065
   18   1HB   ASP   3          1HB       ASP   3 -12.996  -8.780   0.350
   19   2HB   ASP   3          2HB       ASP   3 -11.759 -10.012   0.098
   20    H    GLN   4           H        GLN   4 -10.671  -9.330  -1.260
   21    HA   GLN   4           HA       GLN   4  -7.923 -10.198  -0.863
   22   1HB   GLN   4          1HB       GLN   4  -9.839 -11.160  -2.326
   23   2HB   GLN   4          2HB       GLN   4  -9.388  -9.915  -3.490
   24   1HG   GLN   4          1HG       GLN   4  -7.170 -11.544  -2.357
   25   2HG   GLN   4          2HG       GLN   4  -8.262 -12.369  -3.471
   26   1HE2  GLN   4          1HE2      GLN   4  -5.388 -10.775  -3.493
   27   2HE2  GLN   4          2HE2      GLN   4  -5.444 -10.072  -5.037
   28    H    GLY   5           H        GLY   5  -9.432  -7.283  -1.956
   29   1HA   GLY   5          1HA       GLY   5  -7.339  -6.308  -3.672
   30   2HA   GLY   5          2HA       GLY   5  -8.566  -5.319  -2.883
   31    H    CYS   6           H        CYS   6  -7.345  -3.690  -1.948
   32    HA   CYS   6           HA       CYS   6  -4.826  -3.497  -1.033
   33   1HB   CYS   6          1HB       CYS   6  -6.257  -1.660  -0.656
   34   2HB   CYS   6          2HB       CYS   6  -7.447  -2.636   0.177
   35    HA   PRO   7           HA       PRO   7  -4.452  -6.633   2.137
   36   1HB   PRO   7          1HB       PRO   7  -1.743  -6.399   2.397
   37   2HB   PRO   7          2HB       PRO   7  -2.510  -7.245   1.040
   38   1HG   PRO   7          1HG       PRO   7  -1.140  -4.649   1.113
   39   2HG   PRO   7          2HG       PRO   7  -1.461  -5.716  -0.257
   40   1HD   PRO   7          1HD       PRO   7  -2.879  -3.344   0.520
   41   2HD   PRO   7          2HD       PRO   7  -3.196  -4.406  -0.864
   42    H    ARG   8           H        ARG   8  -2.955  -3.399   2.356
   43    HA   ARG   8           HA       ARG   8  -2.617  -3.540   5.271
   44   1HB   ARG   8          1HB       ARG   8  -1.298  -2.283   3.300
   45   2HB   ARG   8          2HB       ARG   8  -2.448  -1.004   3.688
   46   1HG   ARG   8          1HG       ARG   8  -1.464  -0.546   5.675
   47   2HG   ARG   8          2HG       ARG   8  -1.221  -2.253   6.052
   48   1HD   ARG   8          1HD       ARG   8   0.858  -2.316   4.999
   49   2HD   ARG   8          2HD       ARG   8   0.435  -1.013   3.869
   50    HE   ARG   8           HE       ARG   8   1.397   0.416   5.494
   51   1HH1  ARG   8          1HH2      ARG   8  -0.945   0.436   7.238
   52   2HH1  ARG   8          2HH2      ARG   8  -0.344  -0.198   8.733
   53   1HH2  ARG   8          1HH1      ARG   8   2.507  -1.568   7.312
   54   2HH2  ARG   8          2HH1      ARG   8   1.610  -1.333   8.775
   55    H    CYS   9           H        CYS   9  -4.238  -1.042   3.322
   56    HA   CYS   9           HA       CYS   9  -6.246  -0.683   5.514
   57   1HB   CYS   9          1HB       CYS   9  -6.687   1.351   3.733
   58   2HB   CYS   9          2HB       CYS   9  -5.601   1.452   5.105
   59    H    LYS  10           H        LYS  10  -7.011  -2.929   4.205
   60    HA   LYS  10           HA       LYS  10  -8.277  -3.070   1.809
   61   1HB   LYS  10          1HB       LYS  10  -9.758  -4.663   2.809
   62   2HB   LYS  10          2HB       LYS  10  -8.291  -4.696   3.785
   63   1HG   LYS  10          1HG       LYS  10  -9.516  -2.888   5.224
   64   2HG   LYS  10          2HG       LYS  10 -10.972  -3.495   4.434
   65   1HD   LYS  10          1HD       LYS  10 -10.824  -4.837   6.363
   66   2HD   LYS  10          2HD       LYS  10 -10.070  -5.846   5.128
   67   1HE   LYS  10          1HE       LYS  10  -8.416  -5.967   6.758
   68   2HE   LYS  10          2HE       LYS  10  -7.889  -4.472   5.958
   69   1HZ   LYS  10          1HZ       LYS  10  -8.949  -3.169   7.548
   70   2HZ   LYS  10          2HZ       LYS  10  -8.310  -4.431   8.487
   71   3HZ   LYS  10          3HZ       LYS  10  -9.957  -4.429   8.072
   72    H    THR  11           H        THR  11  -9.089  -1.095   0.928
   73    HA   THR  11           HA       THR  11 -11.805  -0.392   1.529
   74    HB   THR  11           HB       THR  11  -9.928   0.364   3.460
   75    HG1  THR  11           1HG      THR  11 -11.754   0.626   4.372
   76   1HG2  THR  11          1HG2      THR  11  -8.970   2.201   2.313
   77   2HG2  THR  11          2HG2      THR  11 -10.182   2.937   3.363
   78   3HG2  THR  11          3HG2      THR  11 -10.521   2.726   1.644
   79    H    THR  12           H        THR  12  -8.785   1.307   0.801
   80    HA   THR  12           HA       THR  12  -9.386   3.440  -0.593
   81    HB   THR  12           HB       THR  12  -7.212   1.991  -0.268
   82    HG1  THR  12           1HG      THR  12  -7.084   4.120  -0.745
   83   1HG2  THR  12          1HG2      THR  12  -7.944   1.615  -3.150
   84   2HG2  THR  12          2HG2      THR  12  -7.725   0.342  -1.954
   85   3HG2  THR  12          3HG2      THR  12  -6.350   1.291  -2.496
   86    H    LYS  13           H        LYS  13  -9.326   0.434  -2.729
   87    HA   LYS  13           HA       LYS  13 -10.684   2.006  -4.749
   88   1HB   LYS  13          1HB       LYS  13 -10.409   0.069  -6.070
   89   2HB   LYS  13          2HB       LYS  13  -9.053   0.034  -4.968
   90   1HG   LYS  13          1HG       LYS  13 -11.583  -1.364  -4.180
   91   2HG   LYS  13          2HG       LYS  13 -10.483  -2.133  -5.323
   92   1HD   LYS  13          1HD       LYS  13  -8.640  -1.461  -3.611
   93   2HD   LYS  13          2HD       LYS  13  -9.994  -1.316  -2.467
   94   1HE   LYS  13          1HE       LYS  13  -9.157  -3.598  -2.314
   95   2HE   LYS  13          2HE       LYS  13 -10.682  -3.674  -3.217
   96   1HZ   LYS  13          1HZ       LYS  13  -9.408  -4.676  -4.771
   97   2HZ   LYS  13          2HZ       LYS  13  -7.955  -4.072  -4.133
   98   3HZ   LYS  13          3HZ       LYS  13  -8.904  -3.101  -5.151
   99    H    TYR  14           H        TYR  14 -11.693  -0.288  -2.259
  100    HA   TYR  14           HA       TYR  14 -14.411  -0.612  -3.132
  101   1HB   TYR  14          1HB       TYR  14 -12.839  -1.646  -1.189
  102   2HB   TYR  14          2HB       TYR  14 -13.711  -0.456  -0.227
  103    HD1  TYR  14           1HD      TYR  14 -15.262  -1.719   1.030
  104    HD2  TYR  14           2HD      TYR  14 -14.864  -2.427  -3.188
  105    HE1  TYR  14           1HE      TYR  14 -17.224  -3.235   1.100
  106    HE2  TYR  14           2HE      TYR  14 -16.827  -3.942  -3.118
  107    HH   TYR  14           HH       TYR  14 -18.101  -5.229  -1.607
  108    H    ARG  15           H        ARG  15 -12.648   1.763  -1.285
  109    HA   ARG  15           HA       ARG  15 -14.988   3.501  -0.770
  110   1HB   ARG  15          1HB       ARG  15 -12.252   3.027   0.121
  111   2HB   ARG  15          2HB       ARG  15 -12.561   4.739  -0.104
  112   1HG   ARG  15          1HG       ARG  15 -13.561   4.664   1.939
  113   2HG   ARG  15          2HG       ARG  15 -14.865   3.762   1.156
  114   1HD   ARG  15          1HD       ARG  15 -12.353   2.562   2.357
  115   2HD   ARG  15          2HD       ARG  15 -13.975   2.477   3.071
  116    HE   ARG  15           HE       ARG  15 -13.129   1.152   0.500
  117   1HH1  ARG  15          1HH2      ARG  15 -14.100  -0.206   3.104
  118   2HH1  ARG  15          2HH2      ARG  15 -15.709  -0.654   2.647
  119   1HH2  ARG  15          1HH1      ARG  15 -15.786   1.426  -0.126
  120   2HH2  ARG  15          2HH1      ARG  15 -16.664   0.269   0.819
  121    H    ASN  16           H        ASN  16 -11.760   4.408  -1.772
  122    HA   ASN  16           HA       ASN  16 -12.480   6.578  -3.469
  123   1HB   ASN  16          1HB       ASN  16 -10.144   4.939  -2.671
  124   2HB   ASN  16          2HB       ASN  16  -9.985   5.686  -4.257
  125   1HD2  ASN  16          1HD2      ASN  16  -8.195   6.618  -2.620
  126   2HD2  ASN  16          2HD2      ASN  16  -8.608   8.130  -1.956
  127    HA   PRO  17           HA       PRO  17 -13.416   3.943  -6.974
  128   1HB   PRO  17          1HB       PRO  17 -14.620   5.897  -8.468
  129   2HB   PRO  17          2HB       PRO  17 -15.400   5.136  -7.067
  130   1HG   PRO  17          1HG       PRO  17 -14.359   7.845  -7.372
  131   2HG   PRO  17          2HG       PRO  17 -15.412   7.187  -6.114
  132   1HD   PRO  17          1HD       PRO  17 -12.526   7.643  -6.052
  133   2HD   PRO  17          2HD       PRO  17 -13.635   7.265  -4.713
  134    H    SER  18           H        SER  18 -11.264   6.647  -7.016
  135    HA   SER  18           HA       SER  18 -10.486   5.981  -9.839
  136   1HB   SER  18          1HB       SER  18 -11.453   8.272  -9.197
  137   2HB   SER  18          2HB       SER  18  -9.937   8.548  -8.344
  138    HG   SER  18           HG       SER  18 -10.260   7.965 -11.094
  139    H    LEU  19           H        LEU  19  -9.204   4.216  -8.427
  140    HA   LEU  19           HA       LEU  19  -6.480   5.377  -8.065
  141   1HB   LEU  19          1HB       LEU  19  -6.287   4.097  -5.935
  142   2HB   LEU  19          2HB       LEU  19  -7.459   5.392  -5.882
  143    HG   LEU  19           HG       LEU  19  -8.139   3.103  -4.849
  144   1HD1  LEU  19          1HD1      LEU  19 -10.330   3.658  -6.614
  145   2HD1  LEU  19          2HD1      LEU  19  -9.546   5.173  -6.155
  146   3HD1  LEU  19          3HD1      LEU  19 -10.125   4.066  -4.913
  147   1HD2  LEU  19          1HD2      LEU  19  -7.467   1.715  -6.820
  148   2HD2  LEU  19          2HD2      LEU  19  -8.712   2.522  -7.776
  149   3HD2  LEU  19          3HD2      LEU  19  -9.164   1.527  -6.401
  150    H    LYS  20           H        LYS  20  -5.448   2.860  -6.983
  151    HA   LYS  20           HA       LYS  20  -6.110   0.562  -8.506
  152   1HB   LYS  20          1HB       LYS  20  -3.980   0.829 -10.064
  153   2HB   LYS  20          2HB       LYS  20  -5.489   1.621 -10.514
  154   1HG   LYS  20          1HG       LYS  20  -4.734   3.734  -9.772
  155   2HG   LYS  20          2HG       LYS  20  -3.441   3.027  -8.802
  156   1HD   LYS  20          1HD       LYS  20  -2.151   3.616 -10.600
  157   2HD   LYS  20          2HD       LYS  20  -2.759   2.101 -11.265
  158   1HE   LYS  20          1HE       LYS  20  -4.692   3.435 -12.252
  159   2HE   LYS  20          2HE       LYS  20  -3.816   4.902 -11.774
  160   1HZ   LYS  20          1HZ       LYS  20  -1.872   4.032 -12.976
  161   2HZ   LYS  20          2HZ       LYS  20  -3.198   4.252 -14.015
  162   3HZ   LYS  20          3HZ       LYS  20  -2.780   2.693 -13.484
  163    H    LEU  21           H        LEU  21  -4.770  -1.209  -7.905
  164    HA   LEU  21           HA       LEU  21  -3.050  -0.663  -5.577
  165   1HB   LEU  21          1HB       LEU  21  -4.394  -2.996  -6.876
  166   2HB   LEU  21          2HB       LEU  21  -3.070  -3.309  -5.754
  167    HG   LEU  21           HG       LEU  21  -4.215  -2.312  -3.944
  168   1HD1  LEU  21          1HD1      LEU  21  -4.891  -0.229  -5.027
  169   2HD1  LEU  21          2HD1      LEU  21  -6.302  -0.963  -4.267
  170   3HD1  LEU  21          3HD1      LEU  21  -6.074  -1.091  -6.011
  171   1HD2  LEU  21          1HD2      LEU  21  -6.023  -3.718  -3.732
  172   2HD2  LEU  21          2HD2      LEU  21  -5.313  -4.427  -5.183
  173   3HD2  LEU  21          3HD2      LEU  21  -6.665  -3.302  -5.320
  174    H    MET  22           H        MET  22  -0.864  -1.129  -5.416
  175    HA   MET  22           HA       MET  22   0.532  -1.793  -7.971
  176   1HB   MET  22          1HB       MET  22   2.162  -0.518  -5.926
  177   2HB   MET  22          2HB       MET  22   1.855   0.013  -7.570
  178   1HG   MET  22          1HG       MET  22  -0.383   0.894  -6.767
  179   2HG   MET  22          2HG       MET  22   0.153   0.557  -5.124
  180   1HE   MET  22          1HE       MET  22  -0.391   3.964  -6.379
  181   2HE   MET  22          2HE       MET  22   0.351   4.101  -4.786
  182   3HE   MET  22          3HE       MET  22  -0.773   2.785  -5.117
  183    H    VAL  23           H        VAL  23   2.786  -2.770  -7.496
  184    HA   VAL  23           HA       VAL  23   2.625  -4.635  -5.155
  185    HB   VAL  23           HB       VAL  23   2.802  -5.094  -8.086
  186   1HG1  VAL  23          1HG1      VAL  23   4.107  -7.134  -7.904
  187   2HG1  VAL  23          2HG1      VAL  23   4.260  -6.929  -6.159
  188   3HG1  VAL  23          3HG1      VAL  23   5.070  -5.808  -7.253
  189   1HG2  VAL  23          1HG2      VAL  23   1.206  -6.656  -7.627
  190   2HG2  VAL  23          2HG2      VAL  23   1.058  -5.768  -6.111
  191   3HG2  VAL  23          3HG2      VAL  23   2.042  -7.230  -6.184
  192    H    ASN  24           H        ASN  24   4.916  -5.716  -4.901
  193    HA   ASN  24           HA       ASN  24   7.055  -3.705  -5.502
  194   1HB   ASN  24          1HB       ASN  24   7.620  -4.960  -3.014
  195   2HB   ASN  24          2HB       ASN  24   7.193  -3.275  -3.290
  196   1HD2  ASN  24          1HD2      ASN  24   4.961  -2.624  -2.913
  197   2HD2  ASN  24          2HD2      ASN  24   3.865  -3.634  -2.102
  198    H    VAL  25           H        VAL  25   9.276  -4.775  -4.917
  199    HA   VAL  25           HA       VAL  25  10.115  -6.688  -6.624
  200    HB   VAL  25           HB       VAL  25  11.615  -5.626  -5.086
  201   1HG1  VAL  25          1HG1      VAL  25  11.476  -5.766  -2.733
  202   2HG1  VAL  25          2HG1      VAL  25  10.443  -7.193  -2.789
  203   3HG1  VAL  25          3HG1      VAL  25   9.794  -5.616  -3.236
  204   1HG2  VAL  25          1HG2      VAL  25  11.618  -8.480  -4.121
  205   2HG2  VAL  25          2HG2      VAL  25  12.994  -7.431  -4.465
  206   3HG2  VAL  25          3HG2      VAL  25  12.031  -8.086  -5.790
  207    H    CYS  26           H        CYS  26   8.727  -7.538  -3.428
  208    HA   CYS  26           HA       CYS  26   8.597 -10.389  -4.145
  209   1HB   CYS  26          1HB       CYS  26   7.547 -10.520  -1.866
  210   2HB   CYS  26          2HB       CYS  26   9.103  -9.696  -1.860
  211    H    GLY  27           H        GLY  27   7.082 -10.776  -5.675
  212   1HA   GLY  27          1HA       GLY  27   4.851  -9.440  -6.491
  213   2HA   GLY  27          2HA       GLY  27   4.868 -11.202  -6.426
  214    H    HIS  28           H        HIS  28   3.845  -8.278  -4.773
  215    HA   HIS  28           HA       HIS  28   1.975  -9.952  -3.174
  216   1HB   HIS  28          1HB       HIS  28   4.116  -8.098  -2.232
  217   2HB   HIS  28          2HB       HIS  28   2.597  -8.087  -1.333
  218    HD2  HIS  28           2HD      HIS  28   2.394 -11.505  -2.295
  219    HE1  HIS  28           1HE      HIS  28   5.210 -11.782   0.819
  220    HE2  HIS  28           2HE      HIS  28   3.599 -13.087  -0.625
  221    H    THR  29           H        THR  29   1.921  -6.681  -2.201
  222    HA   THR  29           HA       THR  29   0.432  -5.527  -4.371
  223    HB   THR  29           HB       THR  29  -0.934  -7.315  -2.415
  224    HG1  THR  29           1HG      THR  29  -1.362  -6.517  -5.098
  225   1HG2  THR  29          1HG2      THR  29  -3.048  -6.143  -2.553
  226   2HG2  THR  29          2HG2      THR  29  -2.354  -4.922  -3.617
  227   3HG2  THR  29          3HG2      THR  29  -1.846  -5.014  -1.933
  228    H    LEU  30           H        LEU  30  -0.573  -3.495  -3.772
  229    HA   LEU  30           HA       LEU  30  -0.410  -2.430  -1.046
  230   1HB   LEU  30          1HB       LEU  30   1.944  -2.538  -2.125
  231   2HB   LEU  30          2HB       LEU  30   1.397  -1.223  -3.145
  232    HG   LEU  30           HG       LEU  30   0.795  -0.007  -0.979
  233   1HD1  LEU  30          1HD1      LEU  30   2.704  -1.993   0.245
  234   2HD1  LEU  30          2HD1      LEU  30   0.955  -2.181   0.370
  235   3HD1  LEU  30          3HD1      LEU  30   1.743  -0.765   1.067
  236   1HD2  LEU  30          1HD2      LEU  30   3.430   0.200  -0.495
  237   2HD2  LEU  30          2HD2      LEU  30   2.674   0.914  -1.917
  238   3HD2  LEU  30          3HD2      LEU  30   3.495  -0.640  -2.043
  239    H    CYS  31           H        CYS  31  -2.563  -1.695  -1.394
  240    HA   CYS  31           HA       CYS  31  -3.485  -0.511  -3.825
  241   1HB   CYS  31          1HB       CYS  31  -5.478  -0.350  -2.702
  242   2HB   CYS  31          2HB       CYS  31  -4.674  -1.462  -1.631
  243    H    GLU  32           H        GLU  32  -4.326   1.627  -4.013
  244    HA   GLU  32           HA       GLU  32  -2.499   3.729  -3.969
  245   1HB   GLU  32          1HB       GLU  32  -4.761   5.122  -3.735
  246   2HB   GLU  32          2HB       GLU  32  -4.486   4.128  -5.160
  247   1HG   GLU  32          1HG       GLU  32  -5.810   2.868  -2.823
  248   2HG   GLU  32          2HG       GLU  32  -6.766   3.947  -3.822
  249    H    SER  33           H        SER  33  -4.899   2.981  -1.410
  250    HA   SER  33           HA       SER  33  -3.978   5.014   0.399
  251   1HB   SER  33          1HB       SER  33  -5.695   2.521   0.661
  252   2HB   SER  33          2HB       SER  33  -5.374   3.595   2.019
  253    HG   SER  33           HG       SER  33  -7.050   4.597   1.233
  254    H    CYS  34           H        CYS  34  -2.655   1.863  -0.396
  255    HA   CYS  34           HA       CYS  34  -1.451   1.422   2.239
  256   1HB   CYS  34          1HB       CYS  34  -1.145   0.272  -0.542
  257   2HB   CYS  34          2HB       CYS  34   0.020  -0.099   0.722
  258    H    VAL  35           H        VAL  35  -0.249   2.434  -0.964
  259    HA   VAL  35           HA       VAL  35   2.393   3.065  -0.331
  260    HB   VAL  35           HB       VAL  35   0.411   3.619  -2.372
  261   1HG1  VAL  35          1HG1      VAL  35   2.404   5.841  -1.836
  262   2HG1  VAL  35          2HG1      VAL  35   0.653   5.976  -1.680
  263   3HG1  VAL  35          3HG1      VAL  35   1.380   5.706  -3.264
  264   1HG2  VAL  35          1HG2      VAL  35   2.205   2.291  -3.021
  265   2HG2  VAL  35          2HG2      VAL  35   3.387   3.301  -2.189
  266   3HG2  VAL  35          3HG2      VAL  35   2.660   3.852  -3.697
  267    H    ASP  36           H        ASP  36  -0.520   4.668   0.703
  268    HA   ASP  36           HA       ASP  36   0.832   7.165   1.425
  269   1HB   ASP  36          1HB       ASP  36  -1.305   7.896   1.475
  270   2HB   ASP  36          2HB       ASP  36  -1.768   6.296   0.913
  271    H    LEU  37           H        LEU  37  -0.827   4.695   3.511
  272    HA   LEU  37           HA       LEU  37   0.496   5.704   5.888
  273   1HB   LEU  37          1HB       LEU  37  -0.857   3.041   5.378
  274   2HB   LEU  37          2HB       LEU  37  -0.629   3.819   6.944
  275    HG   LEU  37           HG       LEU  37  -2.289   4.908   4.648
  276   1HD1  LEU  37          1HD1      LEU  37  -3.628   4.422   7.186
  277   2HD1  LEU  37          2HD1      LEU  37  -2.911   2.944   6.543
  278   3HD1  LEU  37          3HD1      LEU  37  -4.062   3.861   5.571
  279   1HD2  LEU  37          1HD2      LEU  37  -1.136   6.621   6.096
  280   2HD2  LEU  37          2HD2      LEU  37  -1.984   5.940   7.483
  281   3HD2  LEU  37          3HD2      LEU  37  -2.896   6.692   6.175
  282    H    LEU  38           H        LEU  38   1.040   2.946   3.768
  283    HA   LEU  38           HA       LEU  38   2.988   1.512   5.142
  284   1HB   LEU  38          1HB       LEU  38   1.848   1.290   2.799
  285   2HB   LEU  38          2HB       LEU  38   3.214   2.236   2.219
  286    HG   LEU  38           HG       LEU  38   4.001   0.071   1.905
  287   1HD1  LEU  38          1HD1      LEU  38   5.487   1.400   3.500
  288   2HD1  LEU  38          2HD1      LEU  38   5.698  -0.349   3.554
  289   3HD1  LEU  38          3HD1      LEU  38   4.772   0.467   4.813
  290   1HD2  LEU  38          1HD2      LEU  38   2.665  -0.682   4.528
  291   2HD2  LEU  38          2HD2      LEU  38   3.539  -1.790   3.470
  292   3HD2  LEU  38          3HD2      LEU  38   2.043  -1.036   2.916
  293    H    PHE  39           H        PHE  39   3.588   4.198   2.875
  294    HA   PHE  39           HA       PHE  39   6.385   4.357   3.746
  295   1HB   PHE  39          1HB       PHE  39   4.837   5.814   1.599
  296   2HB   PHE  39          2HB       PHE  39   6.604   5.663   1.715
  297    HD1  PHE  39           1HD      PHE  39   7.102   3.054   2.573
  298    HD2  PHE  39           2HD      PHE  39   4.003   4.335  -0.075
  299    HE1  PHE  39           1HE      PHE  39   6.910   0.740   1.717
  300    HE2  PHE  39           2HE      PHE  39   3.810   2.028  -0.947
  301    HZ   PHE  39           HZ       PHE  39   5.254   0.226  -0.046
  302    H    VAL  40           H        VAL  40   3.476   6.337   4.297
  303    HA   VAL  40           HA       VAL  40   4.722   8.815   4.868
  304    HB   VAL  40           HB       VAL  40   2.929   9.005   6.672
  305   1HG1  VAL  40          1HG1      VAL  40   2.045   9.876   4.776
  306   2HG1  VAL  40          2HG1      VAL  40   1.084   8.397   4.774
  307   3HG1  VAL  40          3HG1      VAL  40   2.545   8.501   3.792
  308   1HG2  VAL  40          1HG2      VAL  40   1.270   7.179   6.755
  309   2HG2  VAL  40          2HG2      VAL  40   2.860   6.629   7.283
  310   3HG2  VAL  40          3HG2      VAL  40   2.278   6.223   5.672
  311    H    ARG  41           H        ARG  41   4.890   5.757   6.525
  312    HA   ARG  41           HA       ARG  41   6.065   6.787   8.999
  313   1HB   ARG  41          1HB       ARG  41   6.427   3.984   7.961
  314   2HB   ARG  41          2HB       ARG  41   6.120   4.521   9.610
  315   1HG   ARG  41          1HG       ARG  41   3.827   5.336   8.618
  316   2HG   ARG  41          2HG       ARG  41   4.192   4.182   7.337
  317   1HD   ARG  41          1HD       ARG  41   3.964   2.354   8.744
  318   2HD   ARG  41          2HD       ARG  41   4.512   3.257  10.170
  319    HE   ARG  41           HE       ARG  41   2.269   4.472  10.014
  320   1HH1  ARG  41          1HH1      ARG  41   1.772   1.767  11.083
  321   2HH1  ARG  41          2HH1      ARG  41   0.548   1.150  10.024
  322   1HH2  ARG  41          1HH2      ARG  41   1.117   3.516   7.555
  323   2HH2  ARG  41          2HH2      ARG  41   0.178   2.139   8.026
  324    H    GLY  42           H        GLY  42   7.220   5.660   5.866
  325   1HA   GLY  42          1HA       GLY  42   9.487   6.866   5.408
  326   2HA   GLY  42          2HA       GLY  42  10.027   5.960   6.816
  327    H    ALA  43           H        ALA  43   7.785   4.104   4.969
  328    HA   ALA  43           HA       ALA  43   8.201   2.206   3.548
  329   1HB   ALA  43          1HB       ALA  43   9.682   2.695   1.748
  330   2HB   ALA  43          2HB       ALA  43  10.652   3.781   2.746
  331   3HB   ALA  43          3HB       ALA  43   9.030   4.258   2.241
  332    H    GLY  44           H        GLY  44   9.702   0.361   3.307
  333   1HA   GLY  44          1HA       GLY  44  12.126  -0.297   4.026
  334   2HA   GLY  44          2HA       GLY  44  11.570   0.195   5.625
  335    H    ASN  45           H        ASN  45   8.886  -1.058   4.193
  336    HA   ASN  45           HA       ASN  45   9.542  -3.910   4.674
  337   1HB   ASN  45          1HB       ASN  45   7.563  -2.276   6.290
  338   2HB   ASN  45          2HB       ASN  45   7.704  -4.032   6.375
  339   1HD2  ASN  45          1HD2      ASN  45   9.865  -4.896   7.122
  340   2HD2  ASN  45          2HD2      ASN  45  10.822  -3.941   8.149
  341    H    CYS  46           H        CYS  46   7.361  -5.203   4.443
  342    HA   CYS  46           HA       CYS  46   5.996  -4.212   1.974
  343   1HB   CYS  46          1HB       CYS  46   7.236  -6.401   2.062
  344   2HB   CYS  46          2HB       CYS  46   6.106  -6.937   3.295
  345    HA   PRO  47           HA       PRO  47   2.200  -3.555   4.146
  346   1HB   PRO  47          1HB       PRO  47   0.468  -4.306   2.121
  347   2HB   PRO  47          2HB       PRO  47   1.330  -2.761   2.155
  348   1HG   PRO  47          1HG       PRO  47   2.130  -5.327   0.809
  349   2HG   PRO  47          2HG       PRO  47   1.998  -3.709   0.101
  350   1HD   PRO  47          1HD       PRO  47   4.361  -4.584   0.851
  351   2HD   PRO  47          2HD       PRO  47   3.887  -2.934   1.296
  352    H    GLU  48           H        GLU  48   3.336  -6.583   3.002
  353    HA   GLU  48           HA       GLU  48   1.458  -7.978   4.847
  354   1HB   GLU  48          1HB       GLU  48   0.879  -9.582   3.171
  355   2HB   GLU  48          2HB       GLU  48   0.704  -7.995   2.430
  356   1HG   GLU  48          1HG       GLU  48   2.155  -8.592   0.824
  357   2HG   GLU  48          2HG       GLU  48   3.402  -8.841   2.041
  358    H    CYS  49           H        CYS  49   4.623  -8.057   3.186
  359    HA   CYS  49           HA       CYS  49   5.442 -10.129   5.164
  360   1HB   CYS  49          1HB       CYS  49   6.466 -11.394   3.508
  361   2HB   CYS  49          2HB       CYS  49   5.118 -10.724   2.608
  362    H    GLY  50           H        GLY  50   6.284  -8.561   6.576
  363   1HA   GLY  50          1HA       GLY  50   7.831  -6.328   6.098
  364   2HA   GLY  50          2HA       GLY  50   8.125  -7.387   7.479
  365    H    THR  51           H        THR  51   9.176  -6.493   4.277
  366    HA   THR  51           HA       THR  51  11.518  -8.342   4.572
  367    HB   THR  51           HB       THR  51   9.528  -8.310   2.649
  368    HG1  THR  51           1HG      THR  51  11.407  -9.408   1.429
  369   1HG2  THR  51          1HG2      THR  51  11.960  -7.075   1.340
  370   2HG2  THR  51          2HG2      THR  51  10.537  -6.137   1.792
  371   3HG2  THR  51          3HG2      THR  51  10.398  -7.432   0.602
  372    HA   PRO  52           HA       PRO  52  14.185  -4.880   4.194
  373   1HB   PRO  52          1HB       PRO  52  15.980  -5.563   2.235
  374   2HB   PRO  52          2HB       PRO  52  15.986  -6.283   3.858
  375   1HG   PRO  52          1HG       PRO  52  14.903  -7.355   1.292
  376   2HG   PRO  52          2HG       PRO  52  15.763  -8.196   2.592
  377   1HD   PRO  52          1HD       PRO  52  13.053  -8.285   2.245
  378   2HD   PRO  52          2HD       PRO  52  13.847  -8.491   3.820
  379    H    LEU  53           H        LEU  53  12.615  -3.360   3.361
  380    HA   LEU  53           HA       LEU  53  12.835  -2.854   0.411
  381   1HB   LEU  53          1HB       LEU  53  10.607  -3.365   2.143
  382   2HB   LEU  53          2HB       LEU  53  10.476  -1.710   1.544
  383    HG   LEU  53           HG       LEU  53   9.371  -3.233  -0.017
  384   1HD1  LEU  53          1HD1      LEU  53  11.839  -1.761  -0.744
  385   2HD1  LEU  53          2HD1      LEU  53  10.201  -1.588  -1.369
  386   3HD1  LEU  53          3HD1      LEU  53  11.239  -2.887  -1.959
  387   1HD2  LEU  53          1HD2      LEU  53  11.692  -4.863   0.595
  388   2HD2  LEU  53          2HD2      LEU  53  11.510  -4.675  -1.149
  389   3HD2  LEU  53          3HD2      LEU  53  10.184  -5.332  -0.190
  390    H    ARG  54           H        ARG  54  14.791  -1.581   1.570
  391    HA   ARG  54           HA       ARG  54  13.985   0.953   2.830
  392   1HB   ARG  54          1HB       ARG  54  16.058  -0.561   3.251
  393   2HB   ARG  54          2HB       ARG  54  16.721   0.200   1.804
  394   1HG   ARG  54          1HG       ARG  54  17.498   1.633   3.476
  395   2HG   ARG  54          2HG       ARG  54  15.996   2.431   3.007
  396   1HD   ARG  54          1HD       ARG  54  16.238   2.196   5.502
  397   2HD   ARG  54          2HD       ARG  54  14.815   1.338   4.879
  398    HE   ARG  54           HE       ARG  54  17.443  -0.032   5.371
  399   1HH1  ARG  54          1HH1      ARG  54  14.295   0.386   6.497
  400   2HH1  ARG  54          2HH1      ARG  54  13.950  -1.304   6.667
  401   1HH2  ARG  54          1HH2      ARG  54  16.883  -2.329   5.129
  402   2HH2  ARG  54          2HH2      ARG  54  15.415  -2.840   5.891
  403    H    LYS  55           H        LYS  55  12.772   0.893   0.346
  404    HA   LYS  55           HA       LYS  55  13.776   3.269  -0.924
  405   1HB   LYS  55          1HB       LYS  55  14.813   2.336  -2.871
  406   2HB   LYS  55          2HB       LYS  55  15.497   1.460  -1.503
  407   1HG   LYS  55          1HG       LYS  55  13.111   0.476  -3.095
  408   2HG   LYS  55          2HG       LYS  55  14.773  -0.007  -3.434
  409   1HD   LYS  55          1HD       LYS  55  14.926  -0.739  -1.000
  410   2HD   LYS  55          2HD       LYS  55  13.182  -0.501  -0.907
  411   1HE   LYS  55          1HE       LYS  55  13.447  -2.814  -1.451
  412   2HE   LYS  55          2HE       LYS  55  13.075  -2.040  -3.006
  413   1HZ   LYS  55          1HZ       LYS  55  15.842  -2.349  -1.973
  414   2HZ   LYS  55          2HZ       LYS  55  15.357  -1.953  -3.552
  415   3HZ   LYS  55          3HZ       LYS  55  15.112  -3.524  -2.954
  416    H    SER  56           H        SER  56  11.240   1.900  -0.063
  417    HA   SER  56           HA       SER  56   9.031   1.591  -0.859
  418   1HB   SER  56          1HB       SER  56  10.338   3.760  -2.503
  419   2HB   SER  56          2HB       SER  56   8.674   3.299  -2.841
  420    HG   SER  56           HG       SER  56   8.580   4.889  -1.324
  421    H    ASN  57           H        ASN  57   8.072   1.696  -3.534
  422    HA   ASN  57           HA       ASN  57   9.005   0.646  -5.781
  423   1HB   ASN  57          1HB       ASN  57   9.267  -1.844  -5.478
  424   2HB   ASN  57          2HB       ASN  57  10.493  -0.914  -4.627
  425   1HD2  ASN  57          1HD2      ASN  57   9.915  -3.515  -3.735
  426   2HD2  ASN  57          2HD2      ASN  57   9.084  -3.448  -2.258
  427    H    PHE  58           H        PHE  58   6.786   1.321  -6.283
  428    HA   PHE  58           HA       PHE  58   4.766  -0.826  -5.703
  429   1HB   PHE  58          1HB       PHE  58   3.826   1.998  -5.892
  430   2HB   PHE  58          2HB       PHE  58   3.273   0.711  -4.820
  431    HD1  PHE  58           1HD      PHE  58   4.814   3.794  -4.767
  432    HD2  PHE  58           2HD      PHE  58   5.316  -0.195  -3.274
  433    HE1  PHE  58           1HE      PHE  58   6.214   4.664  -2.912
  434    HE2  PHE  58           2HE      PHE  58   6.700   0.662  -1.433
  435    HZ   PHE  58           HZ       PHE  58   7.164   3.094  -1.242
  436    H    ARG  59           H        ARG  59   4.348  -1.698  -7.680
  437    HA   ARG  59           HA       ARG  59   4.198   0.092 -10.074
  438   1HB   ARG  59          1HB       ARG  59   3.782  -2.574 -10.867
  439   2HB   ARG  59          2HB       ARG  59   5.288  -1.677 -11.001
  440   1HG   ARG  59          1HG       ARG  59   5.888  -2.446  -8.685
  441   2HG   ARG  59          2HG       ARG  59   4.438  -3.451  -8.692
  442   1HD   ARG  59          1HD       ARG  59   5.692  -5.062  -9.697
  443   2HD   ARG  59          2HD       ARG  59   5.759  -4.014 -11.129
  444    HE   ARG  59           HE       ARG  59   7.696  -3.637  -8.874
  445   1HH1  ARG  59          1HH1      ARG  59   7.140  -2.651 -11.958
  446   2HH1  ARG  59          2HH1      ARG  59   8.663  -3.148 -12.616
  447   1HH2  ARG  59          1HH2      ARG  59   9.587  -4.962  -9.810
  448   2HH2  ARG  59          2HH2      ARG  59  10.048  -4.454 -11.401
  449    H    VAL  60           H        VAL  60   2.160   1.024  -9.792
  450    HA   VAL  60           HA       VAL  60  -0.146  -0.598  -9.006
  451    HB   VAL  60           HB       VAL  60   0.472   1.791  -8.348
  452   1HG1  VAL  60          1HG1      VAL  60   0.961   2.656 -10.577
  453   2HG1  VAL  60          2HG1      VAL  60  -0.418   3.526  -9.908
  454   3HG1  VAL  60          3HG1      VAL  60  -0.671   2.267 -11.116
  455   1HG2  VAL  60          1HG2      VAL  60  -1.850   2.394  -8.113
  456   2HG2  VAL  60          2HG2      VAL  60  -1.754   0.637  -7.991
  457   3HG2  VAL  60          3HG2      VAL  60  -2.301   1.386  -9.487
  458    H    GLN  61           H        GLN  61  -2.091  -0.715 -10.151
  459    HA   GLN  61           HA       GLN  61  -2.539   0.059 -12.861
  460   1HB   GLN  61          1HB       GLN  61  -2.041  -2.032 -13.993
  461   2HB   GLN  61          2HB       GLN  61  -0.601  -1.566 -13.087
  462   1HG   GLN  61          1HG       GLN  61  -1.414  -3.044 -11.207
  463   2HG   GLN  61          2HG       GLN  61  -2.688  -3.615 -12.286
  464   1HE2  GLN  61          1HE2      GLN  61   0.447  -4.306 -11.249
  465   2HE2  GLN  61          2HE2      GLN  61   0.947  -5.266 -12.556
  466    H    LEU  62           H        LEU  62  -4.478  -1.341 -13.737
  467    HA   LEU  62           HA       LEU  62  -5.973  -2.865 -11.722
  468   1HB   LEU  62          1HB       LEU  62  -6.126  -0.074 -11.714
  469   2HB   LEU  62          2HB       LEU  62  -7.580  -0.580 -12.576
  470    HG   LEU  62           HG       LEU  62  -8.118  -2.130 -10.708
  471   1HD1  LEU  62          1HD1      LEU  62  -5.620  -0.902  -9.517
  472   2HD1  LEU  62          2HD1      LEU  62  -5.913  -2.608  -9.854
  473   3HD1  LEU  62          3HD1      LEU  62  -6.806  -1.796  -8.568
  474   1HD2  LEU  62          1HD2      LEU  62  -8.087   0.762 -10.613
  475   2HD2  LEU  62          2HD2      LEU  62  -7.932   0.101  -8.985
  476   3HD2  LEU  62          3HD2      LEU  62  -9.306  -0.351  -9.994
  477    H    PHE  63           H        PHE  63  -5.485  -4.128 -13.882
  478    HA   PHE  63           HA       PHE  63  -7.615  -3.547 -15.908
  479   1HB   PHE  63          1HB       PHE  63  -4.887  -3.918 -16.143
  480   2HB   PHE  63          2HB       PHE  63  -5.519  -5.518 -16.531
  481    HD1  PHE  63           1HD      PHE  63  -4.181  -3.301 -18.367
  482    HD2  PHE  63           2HD      PHE  63  -8.225  -4.539 -17.617
  483    HE1  PHE  63           1HE      PHE  63  -4.846  -2.491 -20.615
  484    HE2  PHE  63           2HE      PHE  63  -8.891  -3.729 -19.864
  485    HZ   PHE  63           HZ       PHE  63  -7.201  -2.704 -21.363
  486    H    GLU  64           H        GLU  64  -9.348  -4.687 -14.896
  487    HA   GLU  64           HA       GLU  64  -9.307  -7.163 -13.591
  488   1HB   GLU  64          1HB       GLU  64 -11.235  -5.586 -15.231
  489   2HB   GLU  64          2HB       GLU  64 -11.670  -7.258 -14.877
  490   1HG   GLU  64          1HG       GLU  64 -11.543  -6.880 -12.514
  491   2HG   GLU  64          2HG       GLU  64 -10.762  -5.314 -12.741
  492    H    ASP  65           H        ASP  65 -10.572  -9.151 -14.774
  493    HA   ASP  65           HA       ASP  65 -10.393 -10.914 -16.340
  494   1HB   ASP  65          1HB       ASP  65  -9.272  -8.783 -18.175
  495   2HB   ASP  65          2HB       ASP  65 -10.199 -10.216 -18.619
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  -7.841  -8.401  -7.163
    2   2H    MET   1          2HT       MET   1  -9.168  -8.996  -6.285
    3   3H    MET   1          3HT       MET   1  -8.128  -7.850  -5.585
    4    HA   MET   1           HA       MET   1  -8.872  -6.465  -7.714
    5   1HB   MET   1          1HB       MET   1 -10.276  -8.756  -8.011
    6   2HB   MET   1          2HB       MET   1 -11.428  -7.837  -7.042
    7   1HG   MET   1          1HG       MET   1 -12.040  -6.726  -8.903
    8   2HG   MET   1          2HG       MET   1 -10.412  -6.054  -8.998
    9   1HE   MET   1          1HE       MET   1 -12.479  -9.170 -11.429
   10   2HE   MET   1          2HE       MET   1 -12.994  -8.307  -9.983
   11   3HE   MET   1          3HE       MET   1 -12.069  -9.798  -9.827
   12    H    ASP   2           H        ASP   2 -11.701  -5.923  -6.756
   13    HA   ASP   2           HA       ASP   2 -10.955  -4.228  -4.459
   14   1HB   ASP   2          1HB       ASP   2 -13.198  -3.295  -4.865
   15   2HB   ASP   2          2HB       ASP   2 -12.315  -3.438  -6.384
   16    H    ASP   3           H        ASP   3 -11.227  -7.277  -4.240
   17    HA   ASP   3           HA       ASP   3 -13.530  -7.503  -2.367
   18   1HB   ASP   3          1HB       ASP   3 -13.020  -9.149  -4.233
   19   2HB   ASP   3          2HB       ASP   3 -11.567  -9.601  -3.340
   20    H    GLN   4           H        GLN   4 -12.250  -6.018  -0.833
   21    HA   GLN   4           HA       GLN   4 -11.070  -5.849   1.211
   22   1HB   GLN   4          1HB       GLN   4 -12.193  -8.279   1.184
   23   2HB   GLN   4          2HB       GLN   4 -10.503  -8.783   1.117
   24   1HG   GLN   4          1HG       GLN   4 -10.249  -8.333   3.309
   25   2HG   GLN   4          2HG       GLN   4 -10.806  -6.677   3.063
   26   1HE2  GLN   4          1HE2      GLN   4 -11.569  -7.985   5.426
   27   2HE2  GLN   4          2HE2      GLN   4 -13.223  -8.362   5.367
   28    H    GLY   5           H        GLY   5  -9.733  -5.865  -1.512
   29   1HA   GLY   5          1HA       GLY   5  -7.230  -7.189  -1.444
   30   2HA   GLY   5          2HA       GLY   5  -7.541  -5.693  -2.326
   31    H    CYS   6           H        CYS   6  -7.356  -3.654  -1.078
   32    HA   CYS   6           HA       CYS   6  -5.020  -3.114   0.173
   33   1HB   CYS   6          1HB       CYS   6  -6.500  -1.340  -0.229
   34   2HB   CYS   6          2HB       CYS   6  -7.825  -2.117   0.619
   35    HA   PRO   7           HA       PRO   7  -5.332  -5.457   3.988
   36   1HB   PRO   7          1HB       PRO   7  -2.631  -5.583   4.393
   37   2HB   PRO   7          2HB       PRO   7  -3.488  -6.642   3.259
   38   1HG   PRO   7          1HG       PRO   7  -1.680  -4.395   2.734
   39   2HG   PRO   7          2HG       PRO   7  -2.173  -5.715   1.668
   40   1HD   PRO   7          1HD       PRO   7  -3.153  -3.006   1.745
   41   2HD   PRO   7          2HD       PRO   7  -3.593  -4.310   0.622
   42    H    ARG   8           H        ARG   8  -3.749  -2.373   3.403
   43    HA   ARG   8           HA       ARG   8  -3.311  -1.851   6.291
   44   1HB   ARG   8          1HB       ARG   8  -1.907  -1.245   4.081
   45   2HB   ARG   8          2HB       ARG   8  -2.910   0.203   4.156
   46   1HG   ARG   8          1HG       ARG   8  -2.193   0.269   6.661
   47   2HG   ARG   8          2HG       ARG   8  -0.885  -0.790   6.137
   48   1HD   ARG   8          1HD       ARG   8   0.066   1.341   5.824
   49   2HD   ARG   8          2HD       ARG   8  -0.615   1.020   4.215
   50    HE   ARG   8           HE       ARG   8  -2.020   2.871   4.670
   51   1HH1  ARG   8          1HH1      ARG   8  -0.511   2.428   7.561
   52   2HH1  ARG   8          2HH1      ARG   8  -1.870   2.812   8.565
   53   1HH2  ARG   8          1HH2      ARG   8  -4.149   2.782   5.953
   54   2HH2  ARG   8          2HH2      ARG   8  -3.929   3.013   7.655
   55    H    CYS   9           H        CYS   9  -4.816   0.095   3.683
   56    HA   CYS   9           HA       CYS   9  -6.728   1.168   5.728
   57   1HB   CYS   9          1HB       CYS   9  -7.052   2.731   3.500
   58   2HB   CYS   9          2HB       CYS   9  -5.967   3.095   4.826
   59    H    LYS  10           H        LYS  10  -7.778  -1.201   5.087
   60    HA   LYS  10           HA       LYS  10  -9.067  -1.737   2.709
   61   1HB   LYS  10          1HB       LYS  10 -10.536  -3.074   3.995
   62   2HB   LYS  10          2HB       LYS  10  -9.109  -2.920   5.017
   63   1HG   LYS  10          1HG       LYS  10 -10.437  -0.773   5.888
   64   2HG   LYS  10          2HG       LYS  10 -11.818  -1.724   5.342
   65   1HD   LYS  10          1HD       LYS  10  -9.683  -2.609   7.310
   66   2HD   LYS  10          2HD       LYS  10 -11.367  -2.239   7.688
   67   1HE   LYS  10          1HE       LYS  10 -11.248  -4.181   5.540
   68   2HE   LYS  10          2HE       LYS  10 -10.316  -4.754   6.938
   69   1HZ   LYS  10          1HZ       LYS  10 -12.944  -3.453   7.304
   70   2HZ   LYS  10          2HZ       LYS  10 -12.140  -4.540   8.332
   71   3HZ   LYS  10          3HZ       LYS  10 -12.869  -5.099   6.904
   72    H    THR  11           H        THR  11  -9.669   0.116   1.548
   73    HA   THR  11           HA       THR  11 -12.321   1.189   1.912
   74    HB   THR  11           HB       THR  11 -10.824   2.139   3.845
   75    HG1  THR  11           1HG      THR  11 -11.867   4.174   3.586
   76   1HG2  THR  11          1HG2      THR  11  -9.263   3.803   3.305
   77   2HG2  THR  11          2HG2      THR  11  -9.997   4.107   1.725
   78   3HG2  THR  11          3HG2      THR  11  -9.036   2.651   1.982
   79    H    THR  12           H        THR  12 -10.253   0.325  -0.210
   80    HA   THR  12           HA       THR  12 -10.197   2.904  -1.701
   81    HB   THR  12           HB       THR  12  -8.179   1.960  -2.729
   82    HG1  THR  12           1HG      THR  12  -8.363  -0.147  -0.881
   83   1HG2  THR  12          1HG2      THR  12  -8.486   3.025  -0.295
   84   2HG2  THR  12          2HG2      THR  12  -6.912   2.504  -0.900
   85   3HG2  THR  12          3HG2      THR  12  -7.837   1.453   0.177
   86    H    LYS  13           H        LYS  13  -9.203   0.644  -3.829
   87    HA   LYS  13           HA       LYS  13 -11.099   0.883  -5.738
   88   1HB   LYS  13          1HB       LYS  13 -10.134  -1.075  -6.650
   89   2HB   LYS  13          2HB       LYS  13  -8.923  -0.463  -5.558
   90   1HG   LYS  13          1HG       LYS  13 -10.842  -2.347  -4.344
   91   2HG   LYS  13          2HG       LYS  13  -9.739  -3.031  -5.536
   92   1HD   LYS  13          1HD       LYS  13  -7.831  -2.004  -4.329
   93   2HD   LYS  13          2HD       LYS  13  -8.958  -1.380  -3.117
   94   1HE   LYS  13          1HE       LYS  13  -9.240  -4.274  -3.631
   95   2HE   LYS  13          2HE       LYS  13  -7.687  -3.805  -2.912
   96   1HZ   LYS  13          1HZ       LYS  13 -10.429  -3.197  -1.940
   97   2HZ   LYS  13          2HZ       LYS  13  -9.061  -2.358  -1.382
   98   3HZ   LYS  13          3HZ       LYS  13  -9.200  -4.031  -1.121
   99    H    TYR  14           H        TYR  14 -11.479  -0.975  -2.773
  100    HA   TYR  14           HA       TYR  14 -13.997  -2.209  -3.577
  101   1HB   TYR  14          1HB       TYR  14 -12.638  -3.265  -1.878
  102   2HB   TYR  14          2HB       TYR  14 -12.561  -1.777  -0.937
  103    HD1  TYR  14           1HD      TYR  14 -13.426  -3.149   1.006
  104    HD2  TYR  14           2HD      TYR  14 -15.727  -2.494  -2.564
  105    HE1  TYR  14           1HE      TYR  14 -15.489  -3.807   2.213
  106    HE2  TYR  14           2HE      TYR  14 -17.789  -3.152  -1.355
  107    HH   TYR  14           HH       TYR  14 -17.903  -4.841   1.297
  108    H    ARG  15           H        ARG  15 -13.022   0.426  -1.441
  109    HA   ARG  15           HA       ARG  15 -15.759   1.549  -1.340
  110   1HB   ARG  15          1HB       ARG  15 -13.111   2.005   0.016
  111   2HB   ARG  15          2HB       ARG  15 -14.430   3.137   0.233
  112   1HG   ARG  15          1HG       ARG  15 -14.323   1.404   2.033
  113   2HG   ARG  15          2HG       ARG  15 -15.843   1.376   1.146
  114   1HD   ARG  15          1HD       ARG  15 -15.009  -0.918   1.466
  115   2HD   ARG  15          2HD       ARG  15 -14.946  -0.510  -0.247
  116    HE   ARG  15           HE       ARG  15 -12.513  -0.197  -0.004
  117   1HH1  ARG  15          1HH1      ARG  15 -13.852  -0.449   3.085
  118   2HH1  ARG  15          2HH1      ARG  15 -12.623  -1.493   3.711
  119   1HH2  ARG  15          1HH2      ARG  15 -11.070  -1.947   0.647
  120   2HH2  ARG  15          2HH2      ARG  15 -11.044  -2.341   2.333
  121    H    ASN  16           H        ASN  16 -12.471   2.866  -1.841
  122    HA   ASN  16           HA       ASN  16 -13.299   5.231  -3.271
  123   1HB   ASN  16          1HB       ASN  16 -10.664   3.717  -3.148
  124   2HB   ASN  16          2HB       ASN  16 -10.846   5.370  -3.714
  125   1HD2  ASN  16          1HD2      ASN  16  -9.219   4.482  -1.445
  126   2HD2  ASN  16          2HD2      ASN  16  -9.847   5.252  -0.065
  127    HA   PRO  17           HA       PRO  17 -13.870   2.828  -7.045
  128   1HB   PRO  17          1HB       PRO  17 -15.196   4.800  -8.408
  129   2HB   PRO  17          2HB       PRO  17 -15.987   3.739  -7.226
  130   1HG   PRO  17          1HG       PRO  17 -15.058   6.551  -6.952
  131   2HG   PRO  17          2HG       PRO  17 -16.474   5.757  -6.249
  132   1HD   PRO  17          1HD       PRO  17 -14.111   6.288  -4.906
  133   2HD   PRO  17          2HD       PRO  17 -15.302   5.061  -4.422
  134    H    SER  18           H        SER  18 -11.315   3.607  -6.786
  135    HA   SER  18           HA       SER  18 -10.428   4.312  -9.379
  136   1HB   SER  18          1HB       SER  18 -11.230   6.530  -7.589
  137   2HB   SER  18          2HB       SER  18  -9.678   6.747  -8.393
  138    HG   SER  18           HG       SER  18 -11.035   5.912 -10.309
  139    H    LEU  19           H        LEU  19  -9.501   2.510  -7.422
  140    HA   LEU  19           HA       LEU  19  -6.984   3.757  -6.379
  141   1HB   LEU  19          1HB       LEU  19  -7.899   2.599  -4.584
  142   2HB   LEU  19          2HB       LEU  19  -8.751   1.461  -5.628
  143    HG   LEU  19           HG       LEU  19  -5.731   1.418  -5.408
  144   1HD1  LEU  19          1HD1      LEU  19  -6.630   1.165  -3.121
  145   2HD1  LEU  19          2HD1      LEU  19  -5.882  -0.310  -3.719
  146   3HD1  LEU  19          3HD1      LEU  19  -7.632  -0.168  -3.687
  147   1HD2  LEU  19          1HD2      LEU  19  -7.587   0.032  -6.978
  148   2HD2  LEU  19          2HD2      LEU  19  -7.118  -1.113  -5.728
  149   3HD2  LEU  19          3HD2      LEU  19  -5.889  -0.380  -6.755
  150    H    LYS  20           H        LYS  20  -5.006   2.578  -6.669
  151    HA   LYS  20           HA       LYS  20  -4.994   0.537  -8.821
  152   1HB   LYS  20          1HB       LYS  20  -2.682   1.713  -9.373
  153   2HB   LYS  20          2HB       LYS  20  -4.165   2.425  -9.991
  154   1HG   LYS  20          1HG       LYS  20  -3.264   3.261  -7.270
  155   2HG   LYS  20          2HG       LYS  20  -2.367   3.883  -8.655
  156   1HD   LYS  20          1HD       LYS  20  -5.299   3.985  -8.961
  157   2HD   LYS  20          2HD       LYS  20  -4.666   5.005  -7.667
  158   1HE   LYS  20          1HE       LYS  20  -3.757   6.466  -9.160
  159   2HE   LYS  20          2HE       LYS  20  -3.054   5.149 -10.121
  160   1HZ   LYS  20          1HZ       LYS  20  -5.809   6.242 -10.198
  161   2HZ   LYS  20          2HZ       LYS  20  -5.464   4.685 -10.785
  162   3HZ   LYS  20          3HZ       LYS  20  -4.720   6.042 -11.484
  163    H    LEU  21           H        LEU  21  -3.428  -1.133  -8.408
  164    HA   LEU  21           HA       LEU  21  -2.310  -1.009  -5.619
  165   1HB   LEU  21          1HB       LEU  21  -3.782  -2.954  -7.229
  166   2HB   LEU  21          2HB       LEU  21  -2.344  -3.656  -6.486
  167    HG   LEU  21           HG       LEU  21  -3.152  -2.474  -4.321
  168   1HD1  LEU  21          1HD1      LEU  21  -4.868  -1.046  -5.213
  169   2HD1  LEU  21          2HD1      LEU  21  -5.695  -2.302  -4.295
  170   3HD1  LEU  21          3HD1      LEU  21  -5.635  -2.393  -6.056
  171   1HD2  LEU  21          1HD2      LEU  21  -3.852  -4.537  -3.698
  172   2HD2  LEU  21          2HD2      LEU  21  -3.530  -5.012  -5.365
  173   3HD2  LEU  21          3HD2      LEU  21  -5.159  -4.538  -4.882
  174    H    MET  22           H        MET  22  -0.084  -1.226  -5.349
  175    HA   MET  22           HA       MET  22   1.502  -1.716  -7.824
  176   1HB   MET  22          1HB       MET  22   3.008  -0.962  -5.500
  177   2HB   MET  22          2HB       MET  22   2.860  -0.099  -7.012
  178   1HG   MET  22          1HG       MET  22   0.582   0.716  -6.131
  179   2HG   MET  22          2HG       MET  22   1.130   0.151  -4.555
  180   1HE   MET  22          1HE       MET  22   0.147   2.718  -4.948
  181   2HE   MET  22          2HE       MET  22   0.828   3.470  -6.388
  182   3HE   MET  22          3HE       MET  22   1.274   4.073  -4.794
  183    H    VAL  23           H        VAL  23   3.245  -3.169  -7.771
  184    HA   VAL  23           HA       VAL  23   3.059  -5.273  -5.658
  185    HB   VAL  23           HB       VAL  23   3.206  -5.175  -8.547
  186   1HG1  VAL  23          1HG1      VAL  23   4.852  -6.997  -8.883
  187   2HG1  VAL  23          2HG1      VAL  23   5.284  -6.914  -7.176
  188   3HG1  VAL  23          3HG1      VAL  23   5.628  -5.552  -8.239
  189   1HG2  VAL  23          1HG2      VAL  23   2.067  -6.705  -6.496
  190   2HG2  VAL  23          2HG2      VAL  23   3.103  -7.822  -7.382
  191   3HG2  VAL  23          3HG2      VAL  23   1.842  -6.927  -8.231
  192    H    ASN  24           H        ASN  24   5.394  -6.358  -5.401
  193    HA   ASN  24           HA       ASN  24   7.447  -4.173  -5.399
  194   1HB   ASN  24          1HB       ASN  24   6.262  -5.791  -3.222
  195   2HB   ASN  24          2HB       ASN  24   8.008  -5.547  -3.138
  196   1HD2  ASN  24          1HD2      ASN  24   8.678  -3.123  -3.502
  197   2HD2  ASN  24          2HD2      ASN  24   7.681  -1.950  -2.788
  198    H    VAL  25           H        VAL  25   9.648  -5.184  -4.758
  199    HA   VAL  25           HA       VAL  25  10.671  -6.836  -6.731
  200    HB   VAL  25           HB       VAL  25  12.103  -5.627  -5.275
  201   1HG1  VAL  25          1HG1      VAL  25  10.358  -6.819  -3.201
  202   2HG1  VAL  25          2HG1      VAL  25  11.136  -5.237  -3.245
  203   3HG1  VAL  25          3HG1      VAL  25  12.056  -6.659  -2.752
  204   1HG2  VAL  25          1HG2      VAL  25  13.678  -7.265  -4.572
  205   2HG2  VAL  25          2HG2      VAL  25  12.830  -7.994  -5.936
  206   3HG2  VAL  25          3HG2      VAL  25  12.416  -8.464  -4.287
  207    H    CYS  26           H        CYS  26   8.676  -7.853  -4.056
  208    HA   CYS  26           HA       CYS  26   9.484 -10.697  -4.470
  209   1HB   CYS  26          1HB       CYS  26   7.613 -10.787  -2.485
  210   2HB   CYS  26          2HB       CYS  26   9.327 -10.549  -2.197
  211    H    GLY  27           H        GLY  27   7.141  -8.438  -5.401
  212   1HA   GLY  27          1HA       GLY  27   5.396  -8.766  -6.972
  213   2HA   GLY  27          2HA       GLY  27   5.657 -10.506  -6.851
  214    H    HIS  28           H        HIS  28   4.710  -7.917  -4.540
  215    HA   HIS  28           HA       HIS  28   2.571  -9.778  -3.605
  216   1HB   HIS  28          1HB       HIS  28   4.422  -7.849  -2.328
  217   2HB   HIS  28          2HB       HIS  28   2.791  -7.885  -1.655
  218    HD2  HIS  28           2HD      HIS  28   2.035 -10.954  -1.744
  219    HE1  HIS  28           1HE      HIS  28   5.752 -11.829   0.027
  220    HE2  HIS  28           2HE      HIS  28   3.454 -12.741  -0.501
  221    H    THR  29           H        THR  29   2.106  -6.534  -2.570
  222    HA   THR  29           HA       THR  29   0.827  -5.312  -4.765
  223    HB   THR  29           HB       THR  29  -0.585  -7.604  -3.542
  224    HG1  THR  29           1HG      THR  29  -0.898  -7.940  -5.580
  225   1HG2  THR  29          1HG2      THR  29  -2.190  -6.174  -2.631
  226   2HG2  THR  29          2HG2      THR  29  -2.825  -6.350  -4.265
  227   3HG2  THR  29          3HG2      THR  29  -1.903  -4.911  -3.827
  228    H    LEU  30           H        LEU  30  -0.075  -3.342  -4.136
  229    HA   LEU  30           HA       LEU  30  -0.847  -3.002  -1.300
  230   1HB   LEU  30          1HB       LEU  30   1.669  -2.493  -1.818
  231   2HB   LEU  30          2HB       LEU  30   1.054  -1.021  -2.536
  232    HG   LEU  30           HG       LEU  30   0.326  -0.191  -0.498
  233   1HD1  LEU  30          1HD1      LEU  30   0.169  -1.817   1.552
  234   2HD1  LEU  30          2HD1      LEU  30   0.090  -3.074   0.317
  235   3HD1  LEU  30          3HD1      LEU  30  -1.125  -1.814   0.357
  236   1HD2  LEU  30          1HD2      LEU  30   2.585  -2.004   0.369
  237   2HD2  LEU  30          2HD2      LEU  30   2.126  -0.467   1.099
  238   3HD2  LEU  30          3HD2      LEU  30   2.808  -0.502  -0.527
  239    H    CYS  31           H        CYS  31  -2.728  -1.931  -1.281
  240    HA   CYS  31           HA       CYS  31  -4.012  -0.892  -3.563
  241   1HB   CYS  31          1HB       CYS  31  -5.685  -0.891  -2.044
  242   2HB   CYS  31          2HB       CYS  31  -4.510  -1.390  -0.853
  243    H    GLU  32           H        GLU  32  -4.674   1.442  -3.897
  244    HA   GLU  32           HA       GLU  32  -2.351   3.123  -4.142
  245   1HB   GLU  32          1HB       GLU  32  -3.842   4.260  -5.432
  246   2HB   GLU  32          2HB       GLU  32  -5.036   3.060  -4.963
  247   1HG   GLU  32          1HG       GLU  32  -5.975   5.221  -4.498
  248   2HG   GLU  32          2HG       GLU  32  -5.578   4.478  -2.953
  249    H    SER  33           H        SER  33  -5.016   3.102  -1.799
  250    HA   SER  33           HA       SER  33  -4.071   5.302  -0.227
  251   1HB   SER  33          1HB       SER  33  -5.816   2.923   0.528
  252   2HB   SER  33          2HB       SER  33  -5.753   4.477   1.360
  253    HG   SER  33           HG       SER  33  -6.271   5.362  -0.829
  254    H    CYS  34           H        CYS  34  -2.769   2.093  -0.521
  255    HA   CYS  34           HA       CYS  34  -1.885   2.000   2.304
  256   1HB   CYS  34          1HB       CYS  34  -1.525   0.292  -0.149
  257   2HB   CYS  34          2HB       CYS  34  -0.434   0.105   1.226
  258    H    VAL  35           H        VAL  35  -0.077   2.047  -0.792
  259    HA   VAL  35           HA       VAL  35   2.476   2.559   0.096
  260    HB   VAL  35           HB       VAL  35   0.826   3.315  -2.266
  261   1HG1  VAL  35          1HG1      VAL  35   1.896   5.353  -2.389
  262   2HG1  VAL  35          2HG1      VAL  35   3.142   4.349  -3.129
  263   3HG1  VAL  35          3HG1      VAL  35   3.273   4.806  -1.431
  264   1HG2  VAL  35          1HG2      VAL  35   1.856   1.426  -2.899
  265   2HG2  VAL  35          2HG2      VAL  35   2.940   1.486  -1.512
  266   3HG2  VAL  35          3HG2      VAL  35   3.353   2.353  -2.992
  267    H    ASP  36           H        ASP  36  -0.266   4.749   0.281
  268    HA   ASP  36           HA       ASP  36   1.246   7.170   0.771
  269   1HB   ASP  36          1HB       ASP  36  -0.846   8.044   0.660
  270   2HB   ASP  36          2HB       ASP  36  -1.381   6.413   0.277
  271    H    LEU  37           H        LEU  37  -0.425   4.909   3.066
  272    HA   LEU  37           HA       LEU  37   0.847   6.332   5.313
  273   1HB   LEU  37          1HB       LEU  37  -1.410   4.630   4.822
  274   2HB   LEU  37          2HB       LEU  37  -0.433   3.927   6.111
  275    HG   LEU  37           HG       LEU  37  -0.480   6.055   7.335
  276   1HD1  LEU  37          1HD1      LEU  37  -2.251   7.036   5.076
  277   2HD1  LEU  37          2HD1      LEU  37  -0.574   7.521   5.317
  278   3HD1  LEU  37          3HD1      LEU  37  -1.795   7.946   6.516
  279   1HD2  LEU  37          1HD2      LEU  37  -2.291   4.643   7.930
  280   2HD2  LEU  37          2HD2      LEU  37  -3.123   4.929   6.402
  281   3HD2  LEU  37          3HD2      LEU  37  -3.043   6.206   7.615
  282    H    LEU  38           H        LEU  38   1.313   3.418   3.458
  283    HA   LEU  38           HA       LEU  38   2.891   1.861   5.197
  284   1HB   LEU  38          1HB       LEU  38   1.931   1.585   2.748
  285   2HB   LEU  38          2HB       LEU  38   3.536   2.146   2.281
  286    HG   LEU  38           HG       LEU  38   3.694  -0.229   2.356
  287   1HD1  LEU  38          1HD1      LEU  38   4.638   0.491   5.126
  288   2HD1  LEU  38          2HD1      LEU  38   5.410   1.201   3.708
  289   3HD1  LEU  38          3HD1      LEU  38   5.411  -0.549   3.929
  290   1HD2  LEU  38          1HD2      LEU  38   2.582  -0.261   5.166
  291   2HD2  LEU  38          2HD2      LEU  38   2.744  -1.604   4.034
  292   3HD2  LEU  38          3HD2      LEU  38   1.519  -0.365   3.761
  293    H    PHE  39           H        PHE  39   4.065   4.270   2.797
  294    HA   PHE  39           HA       PHE  39   6.791   4.052   3.876
  295   1HB   PHE  39          1HB       PHE  39   5.812   5.958   1.762
  296   2HB   PHE  39          2HB       PHE  39   7.402   5.204   1.911
  297    HD1  PHE  39           1HD      PHE  39   5.288   5.155  -0.463
  298    HD2  PHE  39           2HD      PHE  39   6.359   2.429   2.675
  299    HE1  PHE  39           1HE      PHE  39   4.483   3.253  -1.832
  300    HE2  PHE  39           2HE      PHE  39   5.553   0.530   1.307
  301    HZ   PHE  39           HZ       PHE  39   4.609   0.948  -0.935
  302    H    VAL  40           H        VAL  40   4.190   6.482   3.957
  303    HA   VAL  40           HA       VAL  40   5.753   8.704   4.746
  304    HB   VAL  40           HB       VAL  40   3.616   9.476   5.791
  305   1HG1  VAL  40          1HG1      VAL  40   3.632   8.190   3.073
  306   2HG1  VAL  40          2HG1      VAL  40   3.796   9.898   3.482
  307   3HG1  VAL  40          3HG1      VAL  40   2.235   9.096   3.656
  308   1HG2  VAL  40          1HG2      VAL  40   2.731   6.665   5.108
  309   2HG2  VAL  40          2HG2      VAL  40   1.670   7.966   5.652
  310   3HG2  VAL  40          3HG2      VAL  40   2.909   7.329   6.733
  311    H    ARG  41           H        ARG  41   5.068   5.794   6.549
  312    HA   ARG  41           HA       ARG  41   5.868   7.127   9.100
  313   1HB   ARG  41          1HB       ARG  41   5.468   4.245   9.242
  314   2HB   ARG  41          2HB       ARG  41   4.616   5.524  10.095
  315   1HG   ARG  41          1HG       ARG  41   3.441   5.874   7.754
  316   2HG   ARG  41          2HG       ARG  41   3.942   4.202   7.502
  317   1HD   ARG  41          1HD       ARG  41   2.330   5.190   9.886
  318   2HD   ARG  41          2HD       ARG  41   1.666   4.309   8.495
  319    HE   ARG  41           HE       ARG  41   2.977   3.067  10.679
  320   1HH1  ARG  41          1HH2      ARG  41   2.319   2.756   7.373
  321   2HH1  ARG  41          2HH2      ARG  41   3.346   1.382   7.131
  322   1HH2  ARG  41          1HH1      ARG  41   4.684   1.487  10.328
  323   2HH2  ARG  41          2HH1      ARG  41   4.684   0.663   8.805
  324    H    GLY  42           H        GLY  42   7.028   4.730   6.748
  325   1HA   GLY  42          1HA       GLY  42   9.734   5.033   7.874
  326   2HA   GLY  42          2HA       GLY  42   9.057   3.411   7.975
  327    H    ALA  43           H        ALA  43   7.661   3.454   5.424
  328    HA   ALA  43           HA       ALA  43   8.150   3.036   3.121
  329   1HB   ALA  43          1HB       ALA  43   9.289   4.786   2.162
  330   2HB   ALA  43          2HB       ALA  43  10.629   4.667   3.302
  331   3HB   ALA  43          3HB       ALA  43   9.137   5.478   3.777
  332    H    GLY  44           H        GLY  44   8.756   0.843   3.235
  333   1HA   GLY  44          1HA       GLY  44  10.930  -0.305   2.339
  334   2HA   GLY  44          2HA       GLY  44  11.608   0.253   3.867
  335    H    ASN  45           H        ASN  45   8.332  -1.006   3.299
  336    HA   ASN  45           HA       ASN  45   9.001  -3.572   4.600
  337   1HB   ASN  45          1HB       ASN  45   7.176  -1.484   5.838
  338   2HB   ASN  45          2HB       ASN  45   7.405  -3.122   6.456
  339   1HD2  ASN  45          1HD2      ASN  45   9.405  -3.600   7.560
  340   2HD2  ASN  45          2HD2      ASN  45  10.533  -2.396   7.958
  341    H    CYS  46           H        CYS  46   7.983  -4.886   3.115
  342    HA   CYS  46           HA       CYS  46   5.794  -4.267   1.453
  343   1HB   CYS  46          1HB       CYS  46   7.482  -6.328   1.780
  344   2HB   CYS  46          2HB       CYS  46   6.073  -7.015   2.581
  345    HA   PRO  47           HA       PRO  47   2.374  -4.041   4.214
  346   1HB   PRO  47          1HB       PRO  47   0.400  -4.565   2.376
  347   2HB   PRO  47          2HB       PRO  47   1.259  -3.019   2.479
  348   1HG   PRO  47          1HG       PRO  47   1.749  -5.347   0.661
  349   2HG   PRO  47          2HG       PRO  47   1.686  -3.623   0.271
  350   1HD   PRO  47          1HD       PRO  47   4.002  -4.919   0.572
  351   2HD   PRO  47          2HD       PRO  47   3.804  -3.231   1.080
  352    H    GLU  48           H        GLU  48   3.261  -6.930   2.537
  353    HA   GLU  48           HA       GLU  48   1.467  -8.479   4.372
  354   1HB   GLU  48          1HB       GLU  48   0.703  -9.807   2.614
  355   2HB   GLU  48          2HB       GLU  48   0.847  -8.229   1.842
  356   1HG   GLU  48          1HG       GLU  48   2.837 -10.514   1.692
  357   2HG   GLU  48          2HG       GLU  48   1.852  -9.876   0.375
  358    H    CYS  49           H        CYS  49   4.685  -8.277   2.927
  359    HA   CYS  49           HA       CYS  49   5.399 -10.717   4.507
  360   1HB   CYS  49          1HB       CYS  49   6.554 -11.604   2.705
  361   2HB   CYS  49          2HB       CYS  49   5.290 -10.740   1.846
  362    H    GLY  50           H        GLY  50   5.624  -7.571   4.653
  363   1HA   GLY  50          1HA       GLY  50   7.249  -5.986   5.308
  364   2HA   GLY  50          2HA       GLY  50   7.587  -7.238   6.497
  365    H    THR  51           H        THR  51   8.212  -7.748   3.055
  366    HA   THR  51           HA       THR  51  10.922  -8.542   3.496
  367    HB   THR  51           HB       THR  51   9.127  -7.868   1.214
  368    HG1  THR  51           1HG      THR  51  10.324  -9.903   0.566
  369   1HG2  THR  51          1HG2      THR  51  11.443  -8.454  -0.138
  370   2HG2  THR  51          2HG2      THR  51  12.032  -7.367   1.118
  371   3HG2  THR  51          3HG2      THR  51  10.760  -6.839   0.020
  372    HA   PRO  52           HA       PRO  52  12.959  -4.697   4.025
  373   1HB   PRO  52          1HB       PRO  52  15.404  -5.286   2.918
  374   2HB   PRO  52          2HB       PRO  52  14.879  -5.875   4.510
  375   1HG   PRO  52          1HG       PRO  52  14.848  -7.258   1.856
  376   2HG   PRO  52          2HG       PRO  52  15.336  -7.881   3.442
  377   1HD   PRO  52          1HD       PRO  52  12.922  -8.421   2.341
  378   2HD   PRO  52          2HD       PRO  52  13.148  -8.253   4.096
  379    H    LEU  53           H        LEU  53  11.501  -3.645   2.401
  380    HA   LEU  53           HA       LEU  53  12.218  -3.530  -0.408
  381   1HB   LEU  53          1HB       LEU  53  10.328  -2.264   1.507
  382   2HB   LEU  53          2HB       LEU  53  10.701  -1.319   0.066
  383    HG   LEU  53           HG       LEU  53   9.928  -3.056  -1.385
  384   1HD1  LEU  53          1HD1      LEU  53   8.999  -5.183   0.002
  385   2HD1  LEU  53          2HD1      LEU  53  10.357  -4.726   1.029
  386   3HD1  LEU  53          3HD1      LEU  53  10.629  -5.112  -0.669
  387   1HD2  LEU  53          1HD2      LEU  53   8.248  -1.766   0.279
  388   2HD2  LEU  53          2HD2      LEU  53   7.901  -3.425   0.766
  389   3HD2  LEU  53          3HD2      LEU  53   7.680  -2.934  -0.914
  390    H    ARG  54           H        ARG  54  13.604  -2.066  -1.422
  391    HA   ARG  54           HA       ARG  54  15.753  -0.831  -0.218
  392   1HB   ARG  54          1HB       ARG  54  14.080   0.160  -2.550
  393   2HB   ARG  54          2HB       ARG  54  15.743   0.651  -2.225
  394   1HG   ARG  54          1HG       ARG  54  16.051  -2.031  -2.160
  395   2HG   ARG  54          2HG       ARG  54  14.692  -1.927  -3.279
  396   1HD   ARG  54          1HD       ARG  54  16.039  -0.205  -4.586
  397   2HD   ARG  54          2HD       ARG  54  17.423  -0.627  -3.556
  398    HE   ARG  54           HE       ARG  54  16.228  -3.034  -4.542
  399   1HH1  ARG  54          1HH1      ARG  54  18.667  -0.736  -5.051
  400   2HH1  ARG  54          2HH1      ARG  54  19.143  -1.348  -6.599
  401   1HH2  ARG  54          1HH2      ARG  54  16.549  -3.643  -6.786
  402   2HH2  ARG  54          2HH2      ARG  54  17.945  -2.993  -7.582
  403    H    LYS  55           H        LYS  55  12.469   0.471  -0.490
  404    HA   LYS  55           HA       LYS  55  12.487   2.055   1.822
  405   1HB   LYS  55          1HB       LYS  55  12.925   4.331   0.675
  406   2HB   LYS  55          2HB       LYS  55  14.328   3.329   1.020
  407   1HG   LYS  55          1HG       LYS  55  14.782   3.816  -1.187
  408   2HG   LYS  55          2HG       LYS  55  13.767   2.401  -1.447
  409   1HD   LYS  55          1HD       LYS  55  13.116   4.358  -2.867
  410   2HD   LYS  55          2HD       LYS  55  11.817   3.810  -1.810
  411   1HE   LYS  55          1HE       LYS  55  11.764   5.808  -0.731
  412   2HE   LYS  55          2HE       LYS  55  13.524   5.801  -0.508
  413   1HZ   LYS  55          1HZ       LYS  55  13.864   6.828  -2.505
  414   2HZ   LYS  55          2HZ       LYS  55  12.337   7.485  -2.149
  415   3HZ   LYS  55          3HZ       LYS  55  12.471   6.171  -3.218
  416    H    SER  56           H        SER  56  11.433   1.629  -1.470
  417    HA   SER  56           HA       SER  56   8.669   1.800  -0.957
  418   1HB   SER  56          1HB       SER  56  10.132   4.357  -1.213
  419   2HB   SER  56          2HB       SER  56   8.674   4.248  -2.194
  420    HG   SER  56           HG       SER  56   8.670   3.477   0.512
  421    H    ASN  57           H        ASN  57   9.553   0.040  -2.576
  422    HA   ASN  57           HA       ASN  57   9.597   1.136  -5.364
  423   1HB   ASN  57          1HB       ASN  57  10.242  -1.605  -5.424
  424   2HB   ASN  57          2HB       ASN  57  11.371  -0.260  -5.549
  425   1HD2  ASN  57          1HD2      ASN  57  10.538  -2.978  -3.665
  426   2HD2  ASN  57          2HD2      ASN  57  11.478  -2.610  -2.298
  427    H    PHE  58           H        PHE  58   7.136   1.302  -4.696
  428    HA   PHE  58           HA       PHE  58   5.716  -1.278  -5.126
  429   1HB   PHE  58          1HB       PHE  58   4.888   1.500  -4.213
  430   2HB   PHE  58          2HB       PHE  58   3.771   0.165  -4.339
  431    HD1  PHE  58           1HD      PHE  58   7.060   1.079  -2.814
  432    HD2  PHE  58           2HD      PHE  58   3.530  -1.358  -2.591
  433    HE1  PHE  58           1HE      PHE  58   7.806   0.195  -0.619
  434    HE2  PHE  58           2HE      PHE  58   4.274  -2.234  -0.396
  435    HZ   PHE  58           HZ       PHE  58   6.413  -1.460   0.590
  436    H    ARG  59           H        ARG  59   5.528  -1.716  -7.273
  437    HA   ARG  59           HA       ARG  59   5.231   0.465  -9.252
  438   1HB   ARG  59          1HB       ARG  59   5.130  -1.714 -10.763
  439   2HB   ARG  59          2HB       ARG  59   6.650  -1.168 -10.072
  440   1HG   ARG  59          1HG       ARG  59   6.611  -2.826  -8.374
  441   2HG   ARG  59          2HG       ARG  59   4.893  -3.144  -8.613
  442   1HD   ARG  59          1HD       ARG  59   5.501  -4.840  -9.999
  443   2HD   ARG  59          2HD       ARG  59   6.110  -3.612 -11.125
  444    HE   ARG  59           HE       ARG  59   8.068  -3.898  -9.113
  445   1HH1  ARG  59          1HH1      ARG  59   6.416  -6.480 -10.473
  446   2HH1  ARG  59          2HH1      ARG  59   7.810  -7.239 -11.167
  447   1HH2  ARG  59          1HH2      ARG  59   9.933  -4.591 -10.454
  448   2HH2  ARG  59          2HH2      ARG  59   9.801  -6.169 -11.156
  449    H    VAL  60           H        VAL  60   3.195   1.285  -8.970
  450    HA   VAL  60           HA       VAL  60   0.832  -0.456  -8.783
  451    HB   VAL  60           HB       VAL  60   1.335   1.709  -7.526
  452   1HG1  VAL  60          1HG1      VAL  60   2.105   2.967  -9.530
  453   2HG1  VAL  60          2HG1      VAL  60   0.786   3.789  -8.695
  454   3HG1  VAL  60          3HG1      VAL  60   0.467   2.893 -10.181
  455   1HG2  VAL  60          1HG2      VAL  60  -1.145   0.788  -8.794
  456   2HG2  VAL  60          2HG2      VAL  60  -1.183   2.496  -8.364
  457   3HG2  VAL  60          3HG2      VAL  60  -0.859   1.283  -7.127
  458    H    GLN  61           H        GLN  61  -0.913  -0.398 -10.232
  459    HA   GLN  61           HA       GLN  61  -0.648   0.954 -12.837
  460   1HB   GLN  61          1HB       GLN  61  -0.693  -1.189 -14.061
  461   2HB   GLN  61          2HB       GLN  61   0.715  -1.124 -13.003
  462   1HG   GLN  61          1HG       GLN  61  -0.385  -2.505 -11.351
  463   2HG   GLN  61          2HG       GLN  61  -1.914  -2.420 -12.228
  464   1HE2  GLN  61          1HE2      GLN  61  -2.140  -4.625 -12.845
  465   2HE2  GLN  61          2HE2      GLN  61  -1.009  -5.451 -13.803
  466    H    LEU  62           H        LEU  62  -2.678   0.615 -14.119
  467    HA   LEU  62           HA       LEU  62  -4.976  -0.653 -12.812
  468   1HB   LEU  62          1HB       LEU  62  -4.276   1.797 -11.880
  469   2HB   LEU  62          2HB       LEU  62  -5.323   2.272 -13.219
  470    HG   LEU  62           HG       LEU  62  -7.144   0.926 -12.331
  471   1HD1  LEU  62          1HD1      LEU  62  -4.965  -0.083 -10.539
  472   2HD1  LEU  62          2HD1      LEU  62  -6.240  -0.980 -11.359
  473   3HD1  LEU  62          3HD1      LEU  62  -6.611  -0.045  -9.914
  474   1HD2  LEU  62          1HD2      LEU  62  -5.984   2.355  -9.935
  475   2HD2  LEU  62          2HD2      LEU  62  -7.667   2.261 -10.450
  476   3HD2  LEU  62          3HD2      LEU  62  -6.525   3.255 -11.353
  477    H    PHE  63           H        PHE  63  -4.880  -1.652 -15.008
  478    HA   PHE  63           HA       PHE  63  -5.804   0.171 -17.198
  479   1HB   PHE  63          1HB       PHE  63  -3.759  -1.005 -17.688
  480   2HB   PHE  63          2HB       PHE  63  -4.435  -2.532 -17.119
  481    HD1  PHE  63           1HD      PHE  63  -6.005  -3.802 -18.477
  482    HD2  PHE  63           2HD      PHE  63  -4.465  -0.027 -19.829
  483    HE1  PHE  63           1HE      PHE  63  -6.859  -4.270 -20.758
  484    HE2  PHE  63           2HE      PHE  63  -5.320  -0.495 -22.110
  485    HZ   PHE  63           HZ       PHE  63  -6.517  -2.617 -22.574
  486    H    GLU  64           H        GLU  64  -8.009   0.100 -17.438
  487    HA   GLU  64           HA       GLU  64  -9.683  -1.995 -16.379
  488   1HB   GLU  64          1HB       GLU  64 -10.210   0.114 -18.500
  489   2HB   GLU  64          2HB       GLU  64 -11.438  -0.739 -17.563
  490   1HG   GLU  64          1HG       GLU  64  -9.252   0.778 -16.157
  491   2HG   GLU  64          2HG       GLU  64 -10.661   1.637 -16.780
  492    H    ASP  65           H        ASP  65  -9.969  -3.998 -17.264
  493    HA   ASP  65           HA       ASP  65  -9.895  -4.275 -20.241
  494   1HB   ASP  65          1HB       ASP  65  -8.435  -6.218 -19.986
  495   2HB   ASP  65          2HB       ASP  65  -7.694  -4.838 -19.175
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  -9.345  -4.742  -6.367
    2   2H    MET   1          2HT       MET   1 -10.729  -4.440  -7.305
    3   3H    MET   1          3HT       MET   1  -9.488  -5.431  -7.910
    4    HA   MET   1           HA       MET   1 -11.203  -6.899  -7.218
    5   1HB   MET   1          1HB       MET   1  -8.666  -6.568  -5.741
    6   2HB   MET   1          2HB       MET   1  -9.839  -7.620  -4.950
    7   1HG   MET   1          1HG       MET   1  -8.866  -9.183  -6.331
    8   2HG   MET   1          2HG       MET   1 -10.064  -8.555  -7.462
    9   1HE   MET   1          1HE       MET   1  -5.890  -7.382  -6.672
   10   2HE   MET   1          2HE       MET   1  -5.854  -8.959  -7.458
   11   3HE   MET   1          3HE       MET   1  -6.854  -8.717  -6.027
   12    H    ASP   2           H        ASP   2 -10.413  -4.459  -4.764
   13    HA   ASP   2           HA       ASP   2 -11.771  -3.507  -3.075
   14   1HB   ASP   2          1HB       ASP   2 -14.008  -5.133  -4.313
   15   2HB   ASP   2          2HB       ASP   2 -14.124  -3.583  -3.483
   16    H    ASP   3           H        ASP   3 -12.998  -6.833  -3.677
   17    HA   ASP   3           HA       ASP   3 -13.297  -7.366  -0.823
   18   1HB   ASP   3          1HB       ASP   3 -14.690  -8.262  -2.745
   19   2HB   ASP   3          2HB       ASP   3 -13.313  -9.277  -3.176
   20    H    GLN   4           H        GLN   4 -10.610  -7.306  -2.851
   21    HA   GLN   4           HA       GLN   4  -8.975  -8.746  -0.877
   22   1HB   GLN   4          1HB       GLN   4 -10.151 -10.353  -2.605
   23   2HB   GLN   4          2HB       GLN   4  -8.894  -9.776  -3.700
   24   1HG   GLN   4          1HG       GLN   4  -7.160 -10.489  -2.129
   25   2HG   GLN   4          2HG       GLN   4  -8.387 -10.981  -0.961
   26   1HE2  GLN   4          1HE2      GLN   4  -9.654 -12.924  -1.457
   27   2HE2  GLN   4          2HE2      GLN   4  -9.151 -14.020  -2.651
   28    H    GLY   5           H        GLY   5  -8.736  -6.098  -1.519
   29   1HA   GLY   5          1HA       GLY   5  -6.330  -6.032  -3.298
   30   2HA   GLY   5          2HA       GLY   5  -7.498  -4.711  -3.246
   31    H    CYS   6           H        CYS   6  -6.970  -3.048  -1.886
   32    HA   CYS   6           HA       CYS   6  -4.669  -2.667  -0.481
   33   1HB   CYS   6          1HB       CYS   6  -6.250  -0.889  -0.637
   34   2HB   CYS   6          2HB       CYS   6  -7.514  -1.832   0.115
   35    HA   PRO   7           HA       PRO   7  -5.102  -5.701   2.803
   36   1HB   PRO   7          1HB       PRO   7  -2.412  -6.001   3.189
   37   2HB   PRO   7          2HB       PRO   7  -3.299  -6.814   1.886
   38   1HG   PRO   7          1HG       PRO   7  -1.409  -4.577   1.763
   39   2HG   PRO   7          2HG       PRO   7  -1.929  -5.683   0.487
   40   1HD   PRO   7          1HD       PRO   7  -2.815  -2.996   0.994
   41   2HD   PRO   7          2HD       PRO   7  -3.305  -4.087  -0.318
   42    H    ARG   8           H        ARG   8  -3.580  -2.559   2.778
   43    HA   ARG   8           HA       ARG   8  -3.145  -2.612   5.730
   44   1HB   ARG   8          1HB       ARG   8  -1.613  -1.701   3.701
   45   2HB   ARG   8          2HB       ARG   8  -2.510  -0.222   4.056
   46   1HG   ARG   8          1HG       ARG   8  -1.507   0.046   6.088
   47   2HG   ARG   8          2HG       ARG   8  -1.468  -1.689   6.413
   48   1HD   ARG   8          1HD       ARG   8   0.589  -1.953   5.392
   49   2HD   ARG   8          2HD       ARG   8   0.266  -0.686   4.189
   50    HE   ARG   8           HE       ARG   8   1.114   0.901   5.745
   51   1HH1  ARG   8          1HH1      ARG   8   2.900  -1.150   6.887
   52   2HH1  ARG   8          2HH1      ARG   8   2.482  -1.137   8.568
   53   1HH2  ARG   8          1HH2      ARG   8  -0.529   0.514   8.079
   54   2HH2  ARG   8          2HH2      ARG   8   0.541  -0.195   9.242
   55    H    CYS   9           H        CYS   9  -4.432  -0.136   3.464
   56    HA   CYS   9           HA       CYS   9  -6.292   0.756   5.622
   57   1HB   CYS   9          1HB       CYS   9  -6.692   2.366   3.352
   58   2HB   CYS   9          2HB       CYS   9  -5.758   2.779   4.777
   59    H    LYS  10           H        LYS  10  -6.892  -1.750   4.464
   60    HA   LYS  10           HA       LYS  10  -8.413  -2.318   2.389
   61   1HB   LYS  10          1HB       LYS  10  -9.745  -3.743   3.787
   62   2HB   LYS  10          2HB       LYS  10  -8.170  -3.581   4.565
   63   1HG   LYS  10          1HG       LYS  10  -9.392  -1.512   5.737
   64   2HG   LYS  10          2HG       LYS  10 -10.824  -2.480   5.383
   65   1HD   LYS  10          1HD       LYS  10  -8.382  -3.345   6.966
   66   2HD   LYS  10          2HD       LYS  10 -10.014  -3.094   7.590
   67   1HE   LYS  10          1HE       LYS  10 -10.155  -4.928   5.377
   68   2HE   LYS  10          2HE       LYS  10  -8.922  -5.497   6.520
   69   1HZ   LYS  10          1HZ       LYS  10 -10.564  -4.991   8.316
   70   2HZ   LYS  10          2HZ       LYS  10 -11.037  -6.259   7.289
   71   3HZ   LYS  10          3HZ       LYS  10 -11.731  -4.719   7.117
   72    H    THR  11           H        THR  11  -9.182  -0.190   1.451
   73    HA   THR  11           HA       THR  11 -12.036   0.152   2.023
   74    HB   THR  11           HB       THR  11 -10.593   1.351   3.840
   75    HG1  THR  11           1HG      THR  11 -12.315   3.141   2.578
   76   1HG2  THR  11          1HG2      THR  11  -9.885   3.633   3.190
   77   2HG2  THR  11          2HG2      THR  11 -10.325   3.289   1.516
   78   3HG2  THR  11          3HG2      THR  11  -9.002   2.406   2.282
   79    H    THR  12           H        THR  12  -9.161   1.639   0.627
   80    HA   THR  12           HA       THR  12 -10.145   3.399  -1.210
   81    HB   THR  12           HB       THR  12  -8.050   2.717  -2.463
   82    HG1  THR  12           1HG      THR  12  -7.003   0.994  -1.797
   83   1HG2  THR  12          1HG2      THR  12  -7.173   4.184  -1.013
   84   2HG2  THR  12          2HG2      THR  12  -7.081   2.925   0.221
   85   3HG2  THR  12          3HG2      THR  12  -8.544   3.894   0.053
   86    H    LYS  13           H        LYS  13  -8.825   0.820  -3.076
   87    HA   LYS  13           HA       LYS  13 -10.536   0.946  -5.195
   88   1HB   LYS  13          1HB       LYS  13  -9.448  -0.951  -5.894
   89   2HB   LYS  13          2HB       LYS  13  -8.451  -0.557  -4.514
   90   1HG   LYS  13          1HG       LYS  13 -10.836  -2.351  -4.177
   91   2HG   LYS  13          2HG       LYS  13  -9.286  -2.986  -4.727
   92   1HD   LYS  13          1HD       LYS  13  -8.200  -1.923  -2.766
   93   2HD   LYS  13          2HD       LYS  13  -9.794  -1.421  -2.181
   94   1HE   LYS  13          1HE       LYS  13  -9.925  -4.226  -2.811
   95   2HE   LYS  13          2HE       LYS  13  -8.506  -3.959  -1.788
   96   1HZ   LYS  13          1HZ       LYS  13 -11.279  -3.743  -1.132
   97   2HZ   LYS  13          2HZ       LYS  13 -10.432  -2.323  -0.740
   98   3HZ   LYS  13          3HZ       LYS  13  -9.937  -3.816  -0.102
   99    H    TYR  14           H        TYR  14 -11.347  -0.462  -2.090
  100    HA   TYR  14           HA       TYR  14 -13.734  -1.819  -3.066
  101   1HB   TYR  14          1HB       TYR  14 -12.276  -2.214  -0.938
  102   2HB   TYR  14          2HB       TYR  14 -13.214  -0.914  -0.231
  103    HD1  TYR  14           1HD      TYR  14 -15.617  -1.897  -2.259
  104    HD2  TYR  14           2HD      TYR  14 -13.303  -3.634   0.917
  105    HE1  TYR  14           1HE      TYR  14 -17.451  -3.503  -1.801
  106    HE2  TYR  14           2HE      TYR  14 -15.137  -5.238   1.375
  107    HH   TYR  14           HH       TYR  14 -18.179  -5.132  -0.484
  108    H    ARG  15           H        ARG  15 -13.040   1.235  -1.356
  109    HA   ARG  15           HA       ARG  15 -15.811   2.208  -1.810
  110   1HB   ARG  15          1HB       ARG  15 -13.425   2.916  -0.182
  111   2HB   ARG  15          2HB       ARG  15 -14.398   4.276  -0.718
  112   1HG   ARG  15          1HG       ARG  15 -15.700   3.806   1.085
  113   2HG   ARG  15          2HG       ARG  15 -16.309   2.463   0.114
  114   1HD   ARG  15          1HD       ARG  15 -13.948   2.334   2.027
  115   2HD   ARG  15          2HD       ARG  15 -15.553   1.632   2.309
  116    HE   ARG  15           HE       ARG  15 -13.554   0.685   0.307
  117   1HH1  ARG  15          1HH2      ARG  15 -16.233   0.562  -0.951
  118   2HH1  ARG  15          2HH2      ARG  15 -16.832  -0.982  -0.440
  119   1HH2  ARG  15          1HH1      ARG  15 -14.529  -1.319   2.131
  120   2HH2  ARG  15          2HH1      ARG  15 -15.865  -2.048   1.303
  121    H    ASN  16           H        ASN  16 -12.531   3.468  -2.344
  122    HA   ASN  16           HA       ASN  16 -13.287   5.318  -4.442
  123   1HB   ASN  16          1HB       ASN  16 -10.864   4.284  -3.024
  124   2HB   ASN  16          2HB       ASN  16 -10.591   5.076  -4.574
  125   1HD2  ASN  16          1HD2      ASN  16  -9.595   6.320  -2.302
  126   2HD2  ASN  16          2HD2      ASN  16 -10.511   7.706  -1.947
  127    HA   PRO  17           HA       PRO  17 -13.334   2.009  -7.476
  128   1HB   PRO  17          1HB       PRO  17 -14.231   3.547  -9.564
  129   2HB   PRO  17          2HB       PRO  17 -15.290   2.915  -8.288
  130   1HG   PRO  17          1HG       PRO  17 -14.156   5.641  -8.656
  131   2HG   PRO  17          2HG       PRO  17 -15.734   5.151  -8.026
  132   1HD   PRO  17          1HD       PRO  17 -13.587   5.953  -6.479
  133   2HD   PRO  17          2HD       PRO  17 -14.940   4.960  -5.897
  134    H    SER  18           H        SER  18 -12.538   4.990  -9.319
  135    HA   SER  18           HA       SER  18 -10.640   4.058 -11.066
  136   1HB   SER  18          1HB       SER  18  -9.449   6.355 -10.461
  137   2HB   SER  18          2HB       SER  18 -11.063   6.360 -11.167
  138    HG   SER  18           HG       SER  18 -10.335   7.344  -8.842
  139    H    LEU  19           H        LEU  19 -10.283   4.591  -7.670
  140    HA   LEU  19           HA       LEU  19  -7.799   4.483  -6.750
  141   1HB   LEU  19          1HB       LEU  19 -10.148   3.873  -5.810
  142   2HB   LEU  19          2HB       LEU  19  -9.713   2.218  -6.201
  143    HG   LEU  19           HG       LEU  19  -9.206   2.943  -3.826
  144   1HD1  LEU  19          1HD1      LEU  19  -7.286   1.599  -3.764
  145   2HD1  LEU  19          2HD1      LEU  19  -6.770   2.133  -5.354
  146   3HD1  LEU  19          3HD1      LEU  19  -8.146   1.065  -5.205
  147   1HD2  LEU  19          1HD2      LEU  19  -6.858   4.344  -5.081
  148   2HD2  LEU  19          2HD2      LEU  19  -7.443   4.458  -3.420
  149   3HD2  LEU  19          3HD2      LEU  19  -8.346   5.221  -4.728
  150    H    LYS  20           H        LYS  20  -5.921   3.024  -6.735
  151    HA   LYS  20           HA       LYS  20  -6.305   0.393  -8.049
  152   1HB   LYS  20          1HB       LYS  20  -4.319   0.948  -9.565
  153   2HB   LYS  20          2HB       LYS  20  -5.800   1.838  -9.926
  154   1HG   LYS  20          1HG       LYS  20  -4.939   3.720  -8.507
  155   2HG   LYS  20          2HG       LYS  20  -3.419   2.840  -8.336
  156   1HD   LYS  20          1HD       LYS  20  -3.295   4.508 -10.161
  157   2HD   LYS  20          2HD       LYS  20  -3.125   2.866 -10.783
  158   1HE   LYS  20          1HE       LYS  20  -4.723   4.361 -12.104
  159   2HE   LYS  20          2HE       LYS  20  -5.440   2.844 -11.525
  160   1HZ   LYS  20          1HZ       LYS  20  -6.564   3.921  -9.854
  161   2HZ   LYS  20          2HZ       LYS  20  -6.582   5.142 -11.035
  162   3HZ   LYS  20          3HZ       LYS  20  -5.454   5.200  -9.766
  163    H    LEU  21           H        LEU  21  -4.477  -1.047  -7.655
  164    HA   LEU  21           HA       LEU  21  -2.988  -0.236  -5.216
  165   1HB   LEU  21          1HB       LEU  21  -4.015  -2.846  -6.335
  166   2HB   LEU  21          2HB       LEU  21  -2.856  -2.814  -5.013
  167    HG   LEU  21           HG       LEU  21  -4.401  -2.031  -3.491
  168   1HD1  LEU  21          1HD1      LEU  21  -6.348  -0.618  -4.066
  169   2HD1  LEU  21          2HD1      LEU  21  -5.938  -0.752  -5.776
  170   3HD1  LEU  21          3HD1      LEU  21  -4.852   0.091  -4.673
  171   1HD2  LEU  21          1HD2      LEU  21  -5.492  -4.012  -3.956
  172   2HD2  LEU  21          2HD2      LEU  21  -5.805  -3.568  -5.634
  173   3HD2  LEU  21          3HD2      LEU  21  -6.780  -2.870  -4.340
  174    H    MET  22           H        MET  22  -0.773  -0.647  -5.044
  175    HA   MET  22           HA       MET  22   0.582  -1.297  -7.616
  176   1HB   MET  22          1HB       MET  22   2.220   0.005  -5.594
  177   2HB   MET  22          2HB       MET  22   1.870   0.540  -7.216
  178   1HG   MET  22          1HG       MET  22  -0.251   1.526  -6.465
  179   2HG   MET  22          2HG       MET  22   0.053   0.950  -4.827
  180   1HE   MET  22          1HE       MET  22   0.080   4.675  -4.941
  181   2HE   MET  22          2HE       MET  22  -0.743   3.479  -5.939
  182   3HE   MET  22          3HE       MET  22   0.465   4.539  -6.662
  183    H    VAL  23           H        VAL  23   2.292  -2.794  -7.559
  184    HA   VAL  23           HA       VAL  23   2.493  -4.374  -5.016
  185    HB   VAL  23           HB       VAL  23   2.719  -5.125  -7.944
  186   1HG1  VAL  23          1HG1      VAL  23   4.193  -6.335  -6.065
  187   2HG1  VAL  23          2HG1      VAL  23   3.428  -7.244  -7.366
  188   3HG1  VAL  23          3HG1      VAL  23   2.670  -7.173  -5.776
  189   1HG2  VAL  23          1HG2      VAL  23   0.614  -5.267  -5.862
  190   2HG2  VAL  23          2HG2      VAL  23   0.797  -6.706  -6.865
  191   3HG2  VAL  23          3HG2      VAL  23   0.457  -5.146  -7.614
  192    H    ASN  24           H        ASN  24   4.646  -5.192  -4.489
  193    HA   ASN  24           HA       ASN  24   6.836  -3.594  -5.770
  194   1HB   ASN  24          1HB       ASN  24   7.859  -3.996  -3.394
  195   2HB   ASN  24          2HB       ASN  24   6.594  -2.785  -3.592
  196   1HD2  ASN  24          1HD2      ASN  24   4.370  -3.413  -2.910
  197   2HD2  ASN  24          2HD2      ASN  24   4.150  -4.663  -1.783
  198    H    VAL  25           H        VAL  25   9.037  -4.633  -5.219
  199    HA   VAL  25           HA       VAL  25   9.810  -6.714  -6.661
  200    HB   VAL  25           HB       VAL  25  11.427  -5.679  -5.337
  201   1HG1  VAL  25          1HG1      VAL  25   9.363  -5.879  -3.279
  202   2HG1  VAL  25          2HG1      VAL  25  10.659  -4.698  -3.456
  203   3HG1  VAL  25          3HG1      VAL  25  10.972  -6.234  -2.651
  204   1HG2  VAL  25          1HG2      VAL  25  11.396  -8.016  -3.541
  205   2HG2  VAL  25          2HG2      VAL  25  12.649  -7.462  -4.652
  206   3HG2  VAL  25          3HG2      VAL  25  11.292  -8.411  -5.257
  207    H    CYS  26           H        CYS  26   9.391  -7.800  -3.281
  208    HA   CYS  26           HA       CYS  26   9.076 -10.488  -3.673
  209   1HB   CYS  26          1HB       CYS  26   7.720 -10.472  -1.613
  210   2HB   CYS  26          2HB       CYS  26   9.027  -9.292  -1.497
  211    H    GLY  27           H        GLY  27   6.695  -8.031  -4.484
  212   1HA   GLY  27          1HA       GLY  27   4.842  -8.233  -5.931
  213   2HA   GLY  27          2HA       GLY  27   5.238  -9.939  -6.136
  214    H    HIS  28           H        HIS  28   3.486  -7.615  -4.161
  215    HA   HIS  28           HA       HIS  28   1.878  -9.887  -3.089
  216   1HB   HIS  28          1HB       HIS  28   3.595  -7.943  -1.652
  217   2HB   HIS  28          2HB       HIS  28   2.004  -8.223  -0.936
  218    HD2  HIS  28           2HD      HIS  28   1.936 -11.485  -1.893
  219    HE1  HIS  28           1HE      HIS  28   5.202 -11.782   0.752
  220    HE2  HIS  28           2HE      HIS  28   3.427 -13.093  -0.490
  221    H    THR  29           H        THR  29   1.433  -6.716  -1.749
  222    HA   THR  29           HA       THR  29  -0.420  -5.732  -3.757
  223    HB   THR  29           HB       THR  29  -1.393  -7.278  -1.347
  224    HG1  THR  29           1HG      THR  29  -2.317  -7.284  -4.015
  225   1HG2  THR  29          1HG2      THR  29  -2.492  -4.831  -2.431
  226   2HG2  THR  29          2HG2      THR  29  -3.061  -5.792  -1.065
  227   3HG2  THR  29          3HG2      THR  29  -3.610  -6.169  -2.697
  228    H    LEU  30           H        LEU  30  -0.444  -3.574  -3.457
  229    HA   LEU  30           HA       LEU  30  -0.503  -2.422  -0.717
  230   1HB   LEU  30          1HB       LEU  30   1.864  -2.785  -1.355
  231   2HB   LEU  30          2HB       LEU  30   1.593  -1.866  -2.827
  232    HG   LEU  30           HG       LEU  30   0.693  -0.219  -0.765
  233   1HD1  LEU  30          1HD1      LEU  30   2.786  -0.050   0.616
  234   2HD1  LEU  30          2HD1      LEU  30   3.307  -1.571  -0.102
  235   3HD1  LEU  30          3HD1      LEU  30   1.861  -1.523   0.904
  236   1HD2  LEU  30          1HD2      LEU  30   1.753   1.093  -2.212
  237   2HD2  LEU  30          2HD2      LEU  30   2.611  -0.285  -2.899
  238   3HD2  LEU  30          3HD2      LEU  30   3.277   0.562  -1.502
  239    H    CYS  31           H        CYS  31  -2.572  -1.599  -1.287
  240    HA   CYS  31           HA       CYS  31  -3.341  -0.424  -3.702
  241   1HB   CYS  31          1HB       CYS  31  -5.278  -0.008  -2.584
  242   2HB   CYS  31          2HB       CYS  31  -4.530  -1.012  -1.373
  243    H    GLU  32           H        GLU  32  -3.775   1.865  -4.208
  244    HA   GLU  32           HA       GLU  32  -1.534   3.536  -4.181
  245   1HB   GLU  32          1HB       GLU  32  -3.033   5.246  -4.905
  246   2HB   GLU  32          2HB       GLU  32  -3.726   3.726  -5.467
  247   1HG   GLU  32          1HG       GLU  32  -4.508   5.136  -2.903
  248   2HG   GLU  32          2HG       GLU  32  -5.420   5.208  -4.410
  249    H    SER  33           H        SER  33  -4.156   3.334  -1.788
  250    HA   SER  33           HA       SER  33  -3.173   5.452  -0.095
  251   1HB   SER  33          1HB       SER  33  -5.325   3.293   0.132
  252   2HB   SER  33          2HB       SER  33  -4.897   4.320   1.502
  253    HG   SER  33           HG       SER  33  -6.385   5.503   0.531
  254    H    CYS  34           H        CYS  34  -2.202   2.163  -0.561
  255    HA   CYS  34           HA       CYS  34  -1.262   1.816   2.219
  256   1HB   CYS  34          1HB       CYS  34  -1.148   0.266  -0.361
  257   2HB   CYS  34          2HB       CYS  34  -0.026  -0.134   0.942
  258    H    VAL  35           H        VAL  35   0.280   2.218  -1.011
  259    HA   VAL  35           HA       VAL  35   2.957   2.467  -0.311
  260    HB   VAL  35           HB       VAL  35   1.195   3.247  -2.467
  261   1HG1  VAL  35          1HG1      VAL  35   2.547   5.189  -3.310
  262   2HG1  VAL  35          2HG1      VAL  35   3.337   5.271  -1.735
  263   3HG1  VAL  35          3HG1      VAL  35   1.605   5.578  -1.871
  264   1HG2  VAL  35          1HG2      VAL  35   3.850   2.211  -2.032
  265   2HG2  VAL  35          2HG2      VAL  35   3.874   3.417  -3.310
  266   3HG2  VAL  35          3HG2      VAL  35   2.808   2.019  -3.432
  267    H    ASP  36           H        ASP  36   0.324   4.659   0.460
  268    HA   ASP  36           HA       ASP  36   2.075   6.860   1.266
  269   1HB   ASP  36          1HB       ASP  36   0.108   7.975   1.154
  270   2HB   ASP  36          2HB       ASP  36  -0.598   6.473   0.571
  271    H    LEU  37           H        LEU  37  -0.137   4.734   3.173
  272    HA   LEU  37           HA       LEU  37   0.995   5.527   5.703
  273   1HB   LEU  37          1HB       LEU  37  -1.017   3.726   4.606
  274   2HB   LEU  37          2HB       LEU  37  -0.186   3.011   5.988
  275    HG   LEU  37           HG       LEU  37  -2.112   4.289   6.777
  276   1HD1  LEU  37          1HD1      LEU  37   0.643   4.914   7.453
  277   2HD1  LEU  37          2HD1      LEU  37  -0.751   4.736   8.518
  278   3HD1  LEU  37          3HD1      LEU  37  -0.413   6.292   7.762
  279   1HD2  LEU  37          1HD2      LEU  37  -1.941   5.833   4.668
  280   2HD2  LEU  37          2HD2      LEU  37  -0.875   6.806   5.681
  281   3HD2  LEU  37          3HD2      LEU  37  -2.542   6.517   6.178
  282    H    LEU  38           H        LEU  38   1.754   2.976   3.417
  283    HA   LEU  38           HA       LEU  38   3.330   1.294   5.080
  284   1HB   LEU  38          1HB       LEU  38   2.448   1.253   2.556
  285   2HB   LEU  38          2HB       LEU  38   4.081   1.832   2.237
  286    HG   LEU  38           HG       LEU  38   3.936  -0.647   2.143
  287   1HD1  LEU  38          1HD1      LEU  38   5.506  -0.424   4.588
  288   2HD1  LEU  38          2HD1      LEU  38   5.820   0.918   3.490
  289   3HD1  LEU  38          3HD1      LEU  38   6.046  -0.739   2.939
  290   1HD2  LEU  38          1HD2      LEU  38   3.646  -0.850   5.087
  291   2HD2  LEU  38          2HD2      LEU  38   3.016  -1.903   3.819
  292   3HD2  LEU  38          3HD2      LEU  38   2.184  -0.399   4.212
  293    H    PHE  39           H        PHE  39   4.337   4.057   3.030
  294    HA   PHE  39           HA       PHE  39   7.092   3.871   4.042
  295   1HB   PHE  39          1HB       PHE  39   5.895   5.952   2.231
  296   2HB   PHE  39          2HB       PHE  39   7.571   5.395   2.282
  297    HD1  PHE  39           1HD      PHE  39   6.599   2.399   2.721
  298    HD2  PHE  39           2HD      PHE  39   5.748   5.430  -0.195
  299    HE1  PHE  39           1HE      PHE  39   5.980   0.644   1.089
  300    HE2  PHE  39           2HE      PHE  39   5.139   3.677  -1.831
  301    HZ   PHE  39           HZ       PHE  39   5.225   1.283  -1.177
  302    H    VAL  40           H        VAL  40   4.370   6.180   4.341
  303    HA   VAL  40           HA       VAL  40   5.747   8.306   5.575
  304    HB   VAL  40           HB       VAL  40   3.563   8.774   6.657
  305   1HG1  VAL  40          1HG1      VAL  40   3.832   7.994   3.805
  306   2HG1  VAL  40          2HG1      VAL  40   3.394   9.549   4.510
  307   3HG1  VAL  40          3HG1      VAL  40   2.193   8.263   4.399
  308   1HG2  VAL  40          1HG2      VAL  40   2.932   5.968   5.716
  309   2HG2  VAL  40          2HG2      VAL  40   1.722   7.121   6.284
  310   3HG2  VAL  40          3HG2      VAL  40   2.973   6.544   7.384
  311    H    ARG  41           H        ARG  41   5.152   5.104   6.762
  312    HA   ARG  41           HA       ARG  41   5.710   5.811   9.577
  313   1HB   ARG  41          1HB       ARG  41   5.449   3.077   8.303
  314   2HB   ARG  41          2HB       ARG  41   5.116   3.528   9.975
  315   1HG   ARG  41          1HG       ARG  41   3.577   4.831   7.740
  316   2HG   ARG  41          2HG       ARG  41   3.119   3.225   8.303
  317   1HD   ARG  41          1HD       ARG  41   3.602   5.040  10.542
  318   2HD   ARG  41          2HD       ARG  41   2.328   5.642   9.463
  319    HE   ARG  41           HE       ARG  41   1.026   3.904  10.407
  320   1HH1  ARG  41          1HH1      ARG  41   3.161   3.023  12.333
  321   2HH1  ARG  41          2HH1      ARG  41   3.407   1.373  11.866
  322   1HH2  ARG  41          1HH2      ARG  41   1.832   1.732   8.798
  323   2HH2  ARG  41          2HH2      ARG  41   2.652   0.642   9.864
  324    H    GLY  42           H        GLY  42   7.387   4.543   6.757
  325   1HA   GLY  42          1HA       GLY  42   9.970   4.965   7.872
  326   2HA   GLY  42          2HA       GLY  42   9.564   3.263   8.075
  327    H    ALA  43           H        ALA  43   7.986   3.194   5.527
  328    HA   ALA  43           HA       ALA  43   8.405   2.882   3.184
  329   1HB   ALA  43          1HB       ALA  43   9.759   4.498   2.228
  330   2HB   ALA  43          2HB       ALA  43  11.012   4.322   3.456
  331   3HB   ALA  43          3HB       ALA  43   9.544   5.232   3.818
  332    H    GLY  44           H        GLY  44   8.915   0.747   2.887
  333   1HA   GLY  44          1HA       GLY  44  10.879  -0.651   2.127
  334   2HA   GLY  44          2HA       GLY  44  11.687  -0.122   3.602
  335    H    ASN  45           H        ASN  45   8.260  -0.850   3.590
  336    HA   ASN  45           HA       ASN  45   8.786  -3.508   4.849
  337   1HB   ASN  45          1HB       ASN  45   6.988  -1.357   6.006
  338   2HB   ASN  45          2HB       ASN  45   7.455  -2.878   6.766
  339   1HD2  ASN  45          1HD2      ASN  45   8.545   0.387   5.994
  340   2HD2  ASN  45          2HD2      ASN  45   9.991   0.314   6.881
  341    H    CYS  46           H        CYS  46   7.807  -4.506   3.003
  342    HA   CYS  46           HA       CYS  46   5.546  -3.941   1.545
  343   1HB   CYS  46          1HB       CYS  46   7.025  -5.930   1.388
  344   2HB   CYS  46          2HB       CYS  46   6.282  -6.579   2.843
  345    HA   PRO  47           HA       PRO  47   2.221  -3.599   4.415
  346   1HB   PRO  47          1HB       PRO  47   0.158  -4.151   2.686
  347   2HB   PRO  47          2HB       PRO  47   1.031  -2.613   2.718
  348   1HG   PRO  47          1HG       PRO  47   1.420  -4.975   0.927
  349   2HG   PRO  47          2HG       PRO  47   1.327  -3.256   0.505
  350   1HD   PRO  47          1HD       PRO  47   3.678  -4.544   0.717
  351   2HD   PRO  47          2HD       PRO  47   3.500  -2.850   1.216
  352    H    GLU  48           H        GLU  48   3.228  -6.493   2.981
  353    HA   GLU  48           HA       GLU  48   1.412  -8.018   4.802
  354   1HB   GLU  48          1HB       GLU  48   0.723  -9.433   3.092
  355   2HB   GLU  48          2HB       GLU  48   0.855  -7.893   2.248
  356   1HG   GLU  48          1HG       GLU  48   2.080  -9.150   0.787
  357   2HG   GLU  48          2HG       GLU  48   3.379  -8.791   1.919
  358    H    CYS  49           H        CYS  49   4.580  -8.034   3.088
  359    HA   CYS  49           HA       CYS  49   5.410 -10.146   5.051
  360   1HB   CYS  49          1HB       CYS  49   6.596 -11.258   3.360
  361   2HB   CYS  49          2HB       CYS  49   5.158 -10.703   2.515
  362    H    GLY  50           H        GLY  50   5.634  -7.031   4.761
  363   1HA   GLY  50          1HA       GLY  50   7.329  -5.378   4.991
  364   2HA   GLY  50          2HA       GLY  50   7.673  -6.388   6.391
  365    H    THR  51           H        THR  51   8.206  -7.226   2.961
  366    HA   THR  51           HA       THR  51  10.810  -8.295   3.409
  367    HB   THR  51           HB       THR  51   9.135  -7.379   1.105
  368    HG1  THR  51           1HG      THR  51  10.421  -9.720   1.988
  369   1HG2  THR  51          1HG2      THR  51  11.368  -8.408  -0.159
  370   2HG2  THR  51          2HG2      THR  51  12.072  -7.354   1.064
  371   3HG2  THR  51          3HG2      THR  51  10.925  -6.703  -0.105
  372    HA   PRO  52           HA       PRO  52  13.262  -4.667   3.863
  373   1HB   PRO  52          1HB       PRO  52  15.641  -5.595   2.848
  374   2HB   PRO  52          2HB       PRO  52  15.025  -6.039   4.453
  375   1HG   PRO  52          1HG       PRO  52  14.881  -7.540   1.868
  376   2HG   PRO  52          2HG       PRO  52  15.259  -8.137   3.494
  377   1HD   PRO  52          1HD       PRO  52  12.822  -8.443   2.353
  378   2HD   PRO  52          2HD       PRO  52  13.030  -8.222   4.106
  379    H    LEU  53           H        LEU  53  11.924  -3.603   2.137
  380    HA   LEU  53           HA       LEU  53  12.738  -3.737  -0.649
  381   1HB   LEU  53          1HB       LEU  53  10.884  -2.168   1.099
  382   2HB   LEU  53          2HB       LEU  53  11.251  -1.525  -0.501
  383    HG   LEU  53           HG       LEU  53  10.620  -3.768  -1.458
  384   1HD1  LEU  53          1HD1      LEU  53   9.431  -5.352  -0.053
  385   2HD1  LEU  53          2HD1      LEU  53   9.536  -4.263   1.330
  386   3HD1  LEU  53          3HD1      LEU  53  10.995  -5.018   0.688
  387   1HD2  LEU  53          1HD2      LEU  53   9.053  -1.730  -1.142
  388   2HD2  LEU  53          2HD2      LEU  53   8.354  -2.646   0.194
  389   3HD2  LEU  53          3HD2      LEU  53   8.298  -3.295  -1.445
  390    H    ARG  54           H        ARG  54  13.418  -1.552   2.073
  391    HA   ARG  54           HA       ARG  54  15.155   0.038   2.328
  392   1HB   ARG  54          1HB       ARG  54  16.064  -1.990   0.627
  393   2HB   ARG  54          2HB       ARG  54  16.453  -0.498  -0.229
  394   1HG   ARG  54          1HG       ARG  54  17.536   0.363   1.847
  395   2HG   ARG  54          2HG       ARG  54  17.217  -1.187   2.626
  396   1HD   ARG  54          1HD       ARG  54  19.330  -1.673   1.825
  397   2HD   ARG  54          2HD       ARG  54  18.439  -2.027   0.332
  398    HE   ARG  54           HE       ARG  54  19.186   0.072  -0.550
  399   1HH1  ARG  54          1HH1      ARG  54  21.584  -0.696   1.266
  400   2HH1  ARG  54          2HH1      ARG  54  21.903   0.834   2.013
  401   1HH2  ARG  54          1HH2      ARG  54  18.869   2.225   1.070
  402   2HH2  ARG  54          2HH2      ARG  54  20.365   2.487   1.902
  403    H    LYS  55           H        LYS  55  12.744   0.181   0.142
  404    HA   LYS  55           HA       LYS  55  12.998   3.002  -0.341
  405   1HB   LYS  55          1HB       LYS  55  14.837   2.228  -1.775
  406   2HB   LYS  55          2HB       LYS  55  13.746   1.116  -2.600
  407   1HG   LYS  55          1HG       LYS  55  13.125   4.062  -2.488
  408   2HG   LYS  55          2HG       LYS  55  14.242   3.431  -3.700
  409   1HD   LYS  55          1HD       LYS  55  12.103   1.658  -3.806
  410   2HD   LYS  55          2HD       LYS  55  11.324   3.222  -3.566
  411   1HE   LYS  55          1HE       LYS  55  13.349   2.552  -5.737
  412   2HE   LYS  55          2HE       LYS  55  11.612   2.833  -5.971
  413   1HZ   LYS  55          1HZ       LYS  55  12.314   4.960  -6.240
  414   2HZ   LYS  55          2HZ       LYS  55  13.749   4.724  -5.366
  415   3HZ   LYS  55          3HZ       LYS  55  12.284   4.976  -4.544
  416    H    SER  56           H        SER  56  11.076   3.821  -1.274
  417    HA   SER  56           HA       SER  56   8.728   2.194  -1.165
  418   1HB   SER  56          1HB       SER  56   7.682   4.217  -2.137
  419   2HB   SER  56          2HB       SER  56   8.823   4.644  -0.865
  420    HG   SER  56           HG       SER  56  10.350   4.655  -2.839
  421    H    ASN  57           H        ASN  57   9.503   0.358  -2.647
  422    HA   ASN  57           HA       ASN  57   9.464   1.060  -5.553
  423   1HB   ASN  57          1HB       ASN  57  10.375  -1.312  -5.714
  424   2HB   ASN  57          2HB       ASN  57  11.385  -0.189  -4.798
  425   1HD2  ASN  57          1HD2      ASN  57   9.157  -2.929  -4.509
  426   2HD2  ASN  57          2HD2      ASN  57   9.544  -3.304  -2.901
  427    H    PHE  58           H        PHE  58   7.046   1.310  -5.515
  428    HA   PHE  58           HA       PHE  58   5.689  -1.363  -5.623
  429   1HB   PHE  58          1HB       PHE  58   4.569   1.256  -4.537
  430   2HB   PHE  58          2HB       PHE  58   3.748  -0.295  -4.538
  431    HD1  PHE  58           1HD      PHE  58   3.861  -1.644  -2.675
  432    HD2  PHE  58           2HD      PHE  58   7.019   1.180  -3.390
  433    HE1  PHE  58           1HE      PHE  58   4.941  -2.310  -0.545
  434    HE2  PHE  58           2HE      PHE  58   8.092   0.508  -1.258
  435    HZ   PHE  58           HZ       PHE  58   7.053  -1.230   0.164
  436    H    ARG  59           H        ARG  59   5.020  -1.683  -7.704
  437    HA   ARG  59           HA       ARG  59   4.619   0.627  -9.510
  438   1HB   ARG  59          1HB       ARG  59   4.261  -1.292 -11.162
  439   2HB   ARG  59          2HB       ARG  59   5.843  -1.233 -10.391
  440   1HG   ARG  59          1HG       ARG  59   5.334  -3.033  -8.946
  441   2HG   ARG  59          2HG       ARG  59   3.599  -2.869  -9.213
  442   1HD   ARG  59          1HD       ARG  59   4.003  -4.657 -10.633
  443   2HD   ARG  59          2HD       ARG  59   4.400  -3.348 -11.762
  444    HE   ARG  59           HE       ARG  59   6.366  -4.972 -10.207
  445   1HH1  ARG  59          1HH2      ARG  59   5.765  -2.203 -12.174
  446   2HH1  ARG  59          2HH2      ARG  59   7.312  -2.255 -12.946
  447   1HH2  ARG  59          1HH1      ARG  59   8.319  -5.161 -11.353
  448   2HH2  ARG  59          2HH1      ARG  59   8.755  -3.921 -12.481
  449    H    VAL  60           H        VAL  60   2.663   1.574  -9.461
  450    HA   VAL  60           HA       VAL  60   0.302   0.142  -8.480
  451    HB   VAL  60           HB       VAL  60   0.946   2.382  -7.755
  452   1HG1  VAL  60          1HG1      VAL  60   1.004   2.800 -10.673
  453   2HG1  VAL  60          2HG1      VAL  60   1.856   3.669  -9.397
  454   3HG1  VAL  60          3HG1      VAL  60   0.187   4.085  -9.785
  455   1HG2  VAL  60          1HG2      VAL  60  -1.504   1.568  -7.982
  456   2HG2  VAL  60          2HG2      VAL  60  -1.589   2.633  -9.386
  457   3HG2  VAL  60          3HG2      VAL  60  -1.242   3.302  -7.791
  458    H    GLN  61           H        GLN  61  -1.547  -0.284  -9.586
  459    HA   GLN  61           HA       GLN  61  -2.238   0.589 -12.222
  460   1HB   GLN  61          1HB       GLN  61  -1.634  -1.496 -13.438
  461   2HB   GLN  61          2HB       GLN  61  -0.201  -0.705 -12.780
  462   1HG   GLN  61          1HG       GLN  61  -0.038  -2.268 -10.992
  463   2HG   GLN  61          2HG       GLN  61  -1.675  -2.866 -11.263
  464   1HE2  GLN  61          1HE2      GLN  61   0.239  -4.822 -11.233
  465   2HE2  GLN  61          2HE2      GLN  61   0.593  -5.364 -12.803
  466    H    LEU  62           H        LEU  62  -4.236  -0.552 -12.943
  467    HA   LEU  62           HA       LEU  62  -5.377  -2.500 -10.994
  468   1HB   LEU  62          1HB       LEU  62  -5.829   0.182 -10.770
  469   2HB   LEU  62          2HB       LEU  62  -7.159  -0.284 -11.824
  470    HG   LEU  62           HG       LEU  62  -7.730  -0.401  -9.380
  471   1HD1  LEU  62          1HD1      LEU  62  -8.809  -2.582  -9.514
  472   2HD1  LEU  62          2HD1      LEU  62  -7.695  -3.088 -10.784
  473   3HD1  LEU  62          3HD1      LEU  62  -8.868  -1.808 -11.098
  474   1HD2  LEU  62          1HD2      LEU  62  -6.389  -2.923  -8.889
  475   2HD2  LEU  62          2HD2      LEU  62  -6.364  -1.451  -7.918
  476   3HD2  LEU  62          3HD2      LEU  62  -5.212  -1.659  -9.236
  477    H    PHE  63           H        PHE  63  -5.327  -4.052 -12.731
  478    HA   PHE  63           HA       PHE  63  -7.657  -4.130 -14.405
  479   1HB   PHE  63          1HB       PHE  63  -6.044  -2.286 -15.366
  480   2HB   PHE  63          2HB       PHE  63  -5.139  -3.667 -15.988
  481    HD1  PHE  63           1HD      PHE  63  -5.575  -3.730 -18.300
  482    HD2  PHE  63           2HD      PHE  63  -8.826  -3.206 -15.541
  483    HE1  PHE  63           1HE      PHE  63  -7.194  -3.948 -20.166
  484    HE2  PHE  63           2HE      PHE  63 -10.445  -3.423 -17.407
  485    HZ   PHE  63           HZ       PHE  63  -9.629  -3.794 -19.720
  486    H    GLU  64           H        GLU  64  -6.900  -6.135 -12.887
  487    HA   GLU  64           HA       GLU  64  -4.925  -7.923 -14.074
  488   1HB   GLU  64          1HB       GLU  64  -5.491  -7.813 -11.659
  489   2HB   GLU  64          2HB       GLU  64  -7.124  -8.369 -12.027
  490   1HG   GLU  64          1HG       GLU  64  -5.021 -10.070 -13.178
  491   2HG   GLU  64          2HG       GLU  64  -4.986 -10.009 -11.415
  492    H    ASP  65           H        ASP  65  -5.308  -9.581 -15.532
  493    HA   ASP  65           HA       ASP  65  -8.058 -10.519 -16.060
  494   1HB   ASP  65          1HB       ASP  65  -6.371  -8.958 -18.041
  495   2HB   ASP  65          2HB       ASP  65  -7.814  -9.869 -18.492