Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
596393 | 2n6i RC | 25765 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HN1 NH2 9 H1 NH2 9 19.240 -8.856 -1.452
2 HN2 NH2 9 H2 NH2 9 17.914 -9.913 -1.374
3 H GLN 10 HN GLN 10 16.094 -5.737 -1.911
4 HA GLN 10 HA GLN 10 18.846 -6.625 -2.477
5 HB2 GLN 10 HB2 GLN 10 19.230 -6.792 0.006
6 HB3 GLN 10 HB1 GLN 10 19.113 -5.139 -0.598
7 HG2 GLN 10 HG2 GLN 10 17.800 -5.398 1.465
8 HG3 GLN 10 HG1 GLN 10 16.743 -5.045 0.101
9 HE21 GLN 10 HE21 GLN 10 14.940 -6.348 0.044
10 HE22 GLN 10 HE22 GLN 10 14.852 -7.930 0.640
11 H LYS 11 HN LYS 11 15.890 -1.708 -3.841
12 HA LYS 11 HA LYS 11 15.306 -4.036 -2.933
13 HB2 LYS 11 HB2 LYS 11 15.562 -5.119 -5.122
14 HB3 LYS 11 HB1 LYS 11 14.850 -3.514 -5.250
15 HG2 LYS 11 HG2 LYS 11 17.110 -2.596 -5.789
16 HG3 LYS 11 HG1 LYS 11 17.757 -4.227 -5.762
17 HD2 LYS 11 HD2 LYS 11 15.610 -3.224 -7.651
18 HD3 LYS 11 HD1 LYS 11 17.298 -3.478 -8.069
19 HE2 LYS 11 HE2 LYS 11 15.327 -5.632 -7.219
20 HE3 LYS 11 HE1 LYS 11 15.959 -5.367 -8.831
21 HZ1 LYS 11 HZ1 LYS 11 17.397 -6.332 -6.449
22 HZ2 LYS 11 HZ2 LYS 11 18.235 -5.623 -7.746
23 HZ3 LYS 11 HZ3 LYS 11 17.308 -7.025 -7.994
24 H PHE 12 HN PHE 12 15.596 -0.363 -3.290
25 HA PHE 12 HA PHE 12 18.381 -0.087 -3.202
26 HB2 PHE 12 HB2 PHE 12 18.800 -0.496 -0.802
27 HB3 PHE 12 HB1 PHE 12 18.044 1.069 -1.067
28 HD1 PHE 12 HD2 PHE 12 15.317 -1.009 -1.649
29 HD2 PHE 12 HD1 PHE 12 17.894 0.146 1.604
30 HE1 PHE 12 HE2 PHE 12 13.587 -1.543 -0.098
31 HE2 PHE 12 HE1 PHE 12 16.075 -0.443 3.192
32 HZ PHE 12 HZ PHE 12 13.900 -1.328 2.331
33 H ILE 13 HN ILE 13 15.042 4.041 -3.308
34 HA ILE 13 HA ILE 13 14.054 1.260 -3.170
35 HB ILE 13 HB ILE 13 14.955 0.851 -5.394
36 HG12 ILE 13 HG12 ILE 13 16.731 2.567 -5.416
37 HG13 ILE 13 HG11 ILE 13 15.710 2.671 -6.840
38 HG21 ILE 13 HG21 ILE 13 13.257 2.063 -6.665
39 HG22 ILE 13 HG22 ILE 13 13.081 3.231 -5.356
40 HG23 ILE 13 HG23 ILE 13 12.598 1.553 -5.110
41 HD11 ILE 13 HD11 ILE 13 15.667 4.887 -6.346
42 HD12 ILE 13 HD12 ILE 13 16.127 4.632 -4.670
43 HD13 ILE 13 HD13 ILE 13 14.442 4.445 -5.164
44 H ARG 14 HN ARG 14 11.666 4.873 -0.461
45 HA ARG 14 HA ARG 14 13.332 5.616 -2.784
46 HB2 ARG 14 HB2 ARG 14 14.183 4.689 -0.036
47 HB3 ARG 14 HB1 ARG 14 15.251 5.215 -1.328
48 HG2 ARG 14 HG2 ARG 14 13.178 6.949 0.054
49 HG3 ARG 14 HG1 ARG 14 14.905 6.990 0.368
50 HD2 ARG 14 HD2 ARG 14 13.534 7.714 -2.248
51 HD3 ARG 14 HD1 ARG 14 14.297 8.816 -1.124
52 HE ARG 14 HE ARG 14 15.636 7.316 -3.127
53 HH11 ARG 14 HH21 ARG 14 15.914 8.466 0.131
54 HH12 ARG 14 HH22 ARG 14 17.645 8.426 0.138
55 HH21 ARG 14 HH11 ARG 14 17.900 7.266 -3.117
56 HH22 ARG 14 HH12 ARG 14 18.767 7.750 -1.698
57 H VAL 15 HN VAL 15 8.940 7.891 -2.223
58 HA VAL 15 HA VAL 15 9.691 5.767 -0.280
59 HB VAL 15 HB VAL 15 8.847 4.187 -1.967
60 HG11 VAL 15 HG11 VAL 15 6.457 4.763 -1.764
61 HG12 VAL 15 HG12 VAL 15 6.888 6.414 -1.321
62 HG13 VAL 15 HG13 VAL 15 7.306 5.076 -0.251
63 HG21 VAL 15 HG21 VAL 15 9.239 5.324 -4.030
64 HG22 VAL 15 HG22 VAL 15 8.337 6.745 -3.504
65 HG23 VAL 15 HG23 VAL 15 7.484 5.246 -3.872
66 H8 4FU 16 HAM 4FU 16 10.527 10.313 -1.400
67 H9 4FU 16 HAI 4FU 16 10.318 12.697 -0.819
68 HAI 4FU 16 HAJ 4FU 16 8.887 12.116 -1.698
69 H112 4FU 16 HAE 4FU 16 8.209 13.507 0.206
70 H111 4FU 16 HAF 4FU 16 9.112 12.452 1.316
71 HAG 4FU 16 HAG 4FU 16 6.714 11.869 1.315
72 H12 4FU 16 HAH 4FU 16 6.774 11.632 -0.447
73 HAL 4FU 16 HAL 4FU 16 6.934 9.482 0.746
74 HAK 4FU 16 HAK 4FU 16 8.373 10.060 1.619
75 H14 4FU 16 HAN 4FU 16 8.116 9.785 -1.399
76 H GLY 17 HN GLY 17 11.056 8.579 0.470
77 HA2 GLY 17 HA2 GLY 17 13.029 9.538 2.076
78 HA3 GLY 17 HA1 GLY 17 11.590 9.724 3.075
79 H VAL 18 HN VAL 18 10.136 7.646 2.992
80 HA VAL 18 HA VAL 18 11.575 5.572 4.240
81 HB VAL 18 HB VAL 18 9.199 5.991 4.669
82 HG11 VAL 18 HG11 VAL 18 8.380 6.626 2.510
83 HG12 VAL 18 HG12 VAL 18 7.533 5.149 2.962
84 HG13 VAL 18 HG13 VAL 18 8.855 5.083 1.800
85 HG21 VAL 18 HG21 VAL 18 9.338 3.237 3.443
86 HG22 VAL 18 HG22 VAL 18 8.564 3.747 4.940
87 HG23 VAL 18 HG23 VAL 18 10.320 3.644 4.853
88 H THR 19 HN THR 19 11.325 3.210 3.447
89 HA THR 19 HA THR 19 11.839 2.963 0.547
90 HB THR 19 HB THR 19 14.030 3.128 1.674
91 HG1 THR 19 HG1 THR 19 13.420 1.501 -0.048
92 HG21 THR 19 HG21 THR 19 13.286 2.313 3.897
93 HG22 THR 19 HG22 THR 19 14.706 1.450 3.313
94 HG23 THR 19 HG23 THR 19 13.118 0.690 3.227
95 H ILE 20 HN ILE 20 11.629 0.705 -0.221
96 HA ILE 20 HA ILE 20 10.157 -1.060 1.645
97 HB ILE 20 HB ILE 20 8.446 0.216 0.422
98 HG12 ILE 20 HG12 ILE 20 7.205 -1.691 -0.540
99 HG13 ILE 20 HG11 ILE 20 8.676 -2.654 -0.568
100 HG21 ILE 20 HG21 ILE 20 9.569 -1.029 -2.099
101 HG22 ILE 20 HG22 ILE 20 9.974 0.607 -1.578
102 HG23 ILE 20 HG23 ILE 20 8.304 0.196 -1.968
103 HD11 ILE 20 HD11 ILE 20 6.987 -2.889 1.442
104 HD12 ILE 20 HD12 ILE 20 7.780 -1.428 2.029
105 HD13 ILE 20 HD13 ILE 20 8.722 -2.894 1.753
106 H ARG 21 HN ARG 21 10.740 -3.068 1.566
107 HA ARG 21 HA ARG 21 12.051 -4.183 -0.839
108 HB2 ARG 21 HB2 ARG 21 13.680 -5.293 0.707
109 HB3 ARG 21 HB1 ARG 21 13.861 -3.564 0.650
110 HG2 ARG 21 HG2 ARG 21 12.433 -3.382 2.688
111 HG3 ARG 21 HG1 ARG 21 12.395 -5.134 2.764
112 HD2 ARG 21 HD2 ARG 21 14.868 -3.391 2.935
113 HD3 ARG 21 HD1 ARG 21 14.099 -4.210 4.283
114 HE ARG 21 HE ARG 21 14.801 -6.136 2.338
115 HH11 ARG 21 HH21 ARG 21 16.217 -3.820 4.481
116 HH12 ARG 21 HH22 ARG 21 17.628 -4.768 4.812
117 HH21 ARG 21 HH11 ARG 21 16.642 -7.422 2.819
118 HH22 ARG 21 HH12 ARG 21 17.869 -6.802 3.869
119 H GLU 22 HN GLU 22 11.683 -6.270 -1.260
120 HA GLU 22 HA GLU 22 9.422 -7.565 -0.177
121 HB2 GLU 22 HB2 GLU 22 10.267 -8.007 -2.472
122 HB3 GLU 22 HB1 GLU 22 11.727 -8.719 -1.787
123 HG2 GLU 22 HG2 GLU 22 10.108 -10.467 -2.419
124 HG3 GLU 22 HG1 GLU 22 10.373 -10.456 -0.677
125 H LYS 23 HN LYS 23 12.853 -7.706 0.401
126 HA LYS 23 HA LYS 23 14.149 -8.998 1.804
127 HB2 LYS 23 HB2 LYS 23 13.692 -8.529 4.102
128 HB3 LYS 23 HB1 LYS 23 13.495 -7.074 3.142
129 HG2 LYS 23 HG2 LYS 23 11.043 -7.417 3.129
130 HG3 LYS 23 HG1 LYS 23 11.241 -8.852 4.130
131 HD2 LYS 23 HD2 LYS 23 12.049 -6.030 4.891
132 HD3 LYS 23 HD1 LYS 23 10.619 -6.875 5.474
133 HE2 LYS 23 HE2 LYS 23 12.083 -8.605 6.494
134 HE3 LYS 23 HE1 LYS 23 13.496 -7.700 5.960
135 HZ1 LYS 23 HZ1 LYS 23 12.537 -7.324 8.304
136 HZ2 LYS 23 HZ2 LYS 23 11.455 -6.302 7.483
137 HZ3 LYS 23 HZ3 LYS 23 13.129 -6.029 7.385
138 HN1 NH2 24 H1 NH2 24 13.120 -10.234 4.332
139 HN2 NH2 24 H2 NH2 24 12.347 -11.665 3.846
Start of MODEL 2
1 HN1 NH2 9 H1 NH2 9 18.174 -4.291 -3.707
2 HN2 NH2 9 H2 NH2 9 19.176 -4.806 -4.976
3 H GLN 10 HN GLN 10 15.853 -5.332 -1.838
4 HA GLN 10 HA GLN 10 17.809 -6.598 -1.956
5 HB2 GLN 10 HB2 GLN 10 16.070 -7.945 -4.025
6 HB3 GLN 10 HB1 GLN 10 17.413 -8.688 -3.157
7 HG2 GLN 10 HG2 GLN 10 15.413 -9.336 -2.004
8 HG3 GLN 10 HG1 GLN 10 16.219 -8.121 -1.016
9 HE21 GLN 10 HE21 GLN 10 14.734 -6.653 -3.733
10 HE22 GLN 10 HE22 GLN 10 13.325 -6.129 -2.941
11 H LYS 11 HN LYS 11 14.818 -1.784 -2.957
12 HA LYS 11 HA LYS 11 14.243 -4.023 -2.579
13 HB2 LYS 11 HB2 LYS 11 14.043 -3.686 -5.577
14 HB3 LYS 11 HB1 LYS 11 13.218 -4.888 -4.587
15 HG2 LYS 11 HG2 LYS 11 12.086 -3.130 -3.321
16 HG3 LYS 11 HG1 LYS 11 12.950 -1.897 -4.228
17 HD2 LYS 11 HD2 LYS 11 10.676 -2.113 -5.089
18 HD3 LYS 11 HD1 LYS 11 11.823 -2.654 -6.305
19 HE2 LYS 11 HE2 LYS 11 10.303 -4.490 -4.437
20 HE3 LYS 11 HE1 LYS 11 9.834 -4.150 -6.099
21 HZ1 LYS 11 HZ1 LYS 11 12.450 -4.880 -6.279
22 HZ2 LYS 11 HZ2 LYS 11 11.113 -5.869 -6.627
23 HZ3 LYS 11 HZ3 LYS 11 11.838 -5.923 -5.090
24 H PHE 12 HN PHE 12 15.348 0.183 -2.634
25 HA PHE 12 HA PHE 12 17.208 -0.317 -4.811
26 HB2 PHE 12 HB2 PHE 12 18.634 -1.218 -2.985
27 HB3 PHE 12 HB1 PHE 12 18.109 0.437 -2.668
28 HD1 PHE 12 HD1 PHE 12 17.037 -3.135 -2.031
29 HD2 PHE 12 HD2 PHE 12 17.042 0.934 -0.652
30 HE1 PHE 12 HE1 PHE 12 15.792 -3.824 -0.015
31 HE2 PHE 12 HE2 PHE 12 15.833 0.235 1.397
32 HZ PHE 12 HZ PHE 12 15.221 -2.127 1.712
33 H ILE 13 HN ILE 13 14.341 3.532 -4.219
34 HA ILE 13 HA ILE 13 13.382 1.009 -3.011
35 HB ILE 13 HB ILE 13 12.241 0.630 -5.180
36 HG12 ILE 13 HG12 ILE 13 13.119 3.481 -5.798
37 HG13 ILE 13 HG11 ILE 13 13.685 2.048 -6.640
38 HG21 ILE 13 HG21 ILE 13 11.167 1.761 -3.199
39 HG22 ILE 13 HG22 ILE 13 10.446 2.200 -4.749
40 HG23 ILE 13 HG23 ILE 13 11.552 3.313 -3.943
41 HD11 ILE 13 HD11 ILE 13 11.924 3.025 -7.963
42 HD12 ILE 13 HD12 ILE 13 10.852 3.095 -6.566
43 HD13 ILE 13 HD13 ILE 13 11.304 1.535 -7.253
44 H ARG 14 HN ARG 14 13.011 4.995 -0.926
45 HA ARG 14 HA ARG 14 14.924 5.138 -2.971
46 HB2 ARG 14 HB2 ARG 14 16.463 5.690 -1.170
47 HB3 ARG 14 HB1 ARG 14 15.936 4.287 -0.251
48 HG2 ARG 14 HG2 ARG 14 18.083 3.843 -1.365
49 HG3 ARG 14 HG1 ARG 14 16.827 2.798 -2.009
50 HD2 ARG 14 HD2 ARG 14 18.243 3.732 -3.796
51 HD3 ARG 14 HD1 ARG 14 16.582 4.259 -3.967
52 HE ARG 14 HE ARG 14 18.001 6.168 -2.438
53 HH11 ARG 14 HH21 ARG 14 17.805 4.852 -5.632
54 HH12 ARG 14 HH22 ARG 14 18.337 6.304 -6.413
55 HH21 ARG 14 HH11 ARG 14 18.696 8.078 -3.455
56 HH22 ARG 14 HH12 ARG 14 18.842 8.130 -5.180
57 H VAL 15 HN VAL 15 14.085 7.322 1.311
58 HA VAL 15 HA VAL 15 11.918 6.915 -0.465
59 HB VAL 15 HB VAL 15 11.807 9.367 -0.472
60 HG11 VAL 15 HG11 VAL 15 14.455 9.659 -1.832
61 HG12 VAL 15 HG12 VAL 15 14.512 9.368 -0.096
62 HG13 VAL 15 HG13 VAL 15 13.631 10.756 -0.726
63 HG21 VAL 15 HG21 VAL 15 11.392 7.988 -2.550
64 HG22 VAL 15 HG22 VAL 15 13.044 8.352 -3.048
65 HG23 VAL 15 HG23 VAL 15 11.870 9.656 -2.871
66 H8 4FU 16 HAM 4FU 16 12.254 9.114 5.190
67 H9 4FU 16 HAI 4FU 16 11.546 10.430 2.544
68 HAI 4FU 16 HAJ 4FU 16 11.235 11.107 4.160
69 H112 4FU 16 HAE 4FU 16 13.649 11.103 4.646
70 H111 4FU 16 HAF 4FU 16 13.289 12.055 3.187
71 HAG 4FU 16 HAG 4FU 16 13.914 10.133 1.770
72 H12 4FU 16 HAH 4FU 16 15.250 10.586 2.856
73 HAL 4FU 16 HAL 4FU 16 14.593 8.807 4.422
74 HAK 4FU 16 HAK 4FU 16 14.918 8.128 2.810
75 H14 4FU 16 HAN 4FU 16 12.856 7.180 3.777
76 H GLY 17 HN GLY 17 11.044 6.927 3.061
77 HA2 GLY 17 HA2 GLY 17 8.734 6.306 4.382
78 HA3 GLY 17 HA1 GLY 17 8.228 7.526 3.216
79 H VAL 18 HN VAL 18 9.530 7.016 0.962
80 HA VAL 18 HA VAL 18 8.401 4.473 0.122
81 HB VAL 18 HB VAL 18 9.825 6.629 -1.460
82 HG11 VAL 18 HG11 VAL 18 8.648 3.978 -2.205
83 HG12 VAL 18 HG12 VAL 18 9.947 4.886 -2.978
84 HG13 VAL 18 HG13 VAL 18 8.272 5.328 -3.275
85 HG21 VAL 18 HG21 VAL 18 7.602 7.374 -2.067
86 HG22 VAL 18 HG22 VAL 18 7.676 7.273 -0.308
87 HG23 VAL 18 HG23 VAL 18 6.866 6.007 -1.231
88 H THR 19 HN THR 19 10.599 4.339 1.923
89 HA THR 19 HA THR 19 12.613 2.954 0.247
90 HB THR 19 HB THR 19 13.035 4.321 2.915
91 HG1 THR 19 HG1 THR 19 14.501 5.552 1.453
92 HG21 THR 19 HG21 THR 19 15.472 3.832 2.306
93 HG22 THR 19 HG22 THR 19 14.837 2.713 1.100
94 HG23 THR 19 HG23 THR 19 14.501 2.448 2.810
95 H ILE 20 HN ILE 20 12.791 0.747 0.633
96 HA ILE 20 HA ILE 20 12.265 -0.266 3.287
97 HB ILE 20 HB ILE 20 9.975 0.280 2.527
98 HG12 ILE 20 HG12 ILE 20 8.936 -1.936 2.894
99 HG13 ILE 20 HG11 ILE 20 10.494 -2.714 2.665
100 HG21 ILE 20 HG21 ILE 20 10.519 -0.084 0.094
101 HG22 ILE 20 HG22 ILE 20 9.004 -0.821 0.616
102 HG23 ILE 20 HG23 ILE 20 10.442 -1.820 0.396
103 HD11 ILE 20 HD11 ILE 20 11.342 -1.887 4.699
104 HD12 ILE 20 HD12 ILE 20 9.657 -2.187 5.098
105 HD13 ILE 20 HD13 ILE 20 10.198 -0.548 4.741
106 H ARG 21 HN ARG 21 12.494 -2.435 3.589
107 HA ARG 21 HA ARG 21 13.974 -3.939 1.525
108 HB2 ARG 21 HB2 ARG 21 15.261 -3.409 3.551
109 HB3 ARG 21 HB1 ARG 21 13.964 -4.014 4.557
110 HG2 ARG 21 HG2 ARG 21 15.794 -5.616 4.435
111 HG3 ARG 21 HG1 ARG 21 14.336 -6.264 3.718
112 HD2 ARG 21 HD2 ARG 21 16.371 -6.803 2.407
113 HD3 ARG 21 HD1 ARG 21 15.223 -5.860 1.469
114 HE ARG 21 HE ARG 21 16.966 -4.044 2.608
115 HH11 ARG 21 HH21 ARG 21 17.192 -6.820 0.588
116 HH12 ARG 21 HH22 ARG 21 18.476 -6.175 -0.381
117 HH21 ARG 21 HH11 ARG 21 18.633 -3.178 1.348
118 HH22 ARG 21 HH12 ARG 21 19.283 -4.108 0.039
119 H GLU 22 HN GLU 22 12.126 -4.775 0.519
120 HA GLU 22 HA GLU 22 9.993 -6.045 1.855
121 HB2 GLU 22 HB2 GLU 22 9.837 -5.258 -0.483
122 HB3 GLU 22 HB1 GLU 22 11.031 -6.463 -0.965
123 HG2 GLU 22 HG2 GLU 22 8.740 -7.241 -1.447
124 HG3 GLU 22 HG1 GLU 22 9.513 -8.272 -0.249
125 H LYS 23 HN LYS 23 13.046 -7.205 0.561
126 HA LYS 23 HA LYS 23 13.393 -9.579 0.242
127 HB2 LYS 23 HB2 LYS 23 15.158 -8.154 1.029
128 HB3 LYS 23 HB1 LYS 23 14.542 -8.233 2.668
129 HG2 LYS 23 HG2 LYS 23 16.449 -9.707 2.415
130 HG3 LYS 23 HG1 LYS 23 15.001 -10.642 2.733
131 HD2 LYS 23 HD2 LYS 23 14.798 -11.158 0.324
132 HD3 LYS 23 HD1 LYS 23 16.239 -10.198 0.001
133 HE2 LYS 23 HE2 LYS 23 16.086 -12.628 1.770
134 HE3 LYS 23 HE1 LYS 23 16.724 -12.602 0.131
135 HZ1 LYS 23 HZ1 LYS 23 18.164 -10.667 1.184
136 HZ2 LYS 23 HZ2 LYS 23 18.645 -12.293 1.264
137 HZ3 LYS 23 HZ3 LYS 23 17.889 -11.564 2.598
138 HN1 NH2 24 H1 NH2 24 12.497 -11.580 0.805
139 HN2 NH2 24 H2 NH2 24 11.805 -11.946 2.312
Start of MODEL 3
1 HN1 NH2 9 H1 NH2 9 20.965 -5.560 0.195
2 HN2 NH2 9 H2 NH2 9 21.325 -7.119 -0.369
3 H GLN 10 HN GLN 10 16.844 -5.766 -1.577
4 HA GLN 10 HA GLN 10 18.938 -4.646 0.217
5 HB2 GLN 10 HB2 GLN 10 17.014 -6.909 0.792
6 HB3 GLN 10 HB1 GLN 10 18.123 -6.157 1.935
7 HG2 GLN 10 HG2 GLN 10 15.930 -5.193 2.297
8 HG3 GLN 10 HG1 GLN 10 16.927 -3.965 1.526
9 HE21 GLN 10 HE21 GLN 10 15.740 -2.899 -0.062
10 HE22 GLN 10 HE22 GLN 10 14.616 -3.653 -1.083
11 H LYS 11 HN LYS 11 16.722 -2.079 -4.307
12 HA LYS 11 HA LYS 11 16.181 -4.457 -3.193
13 HB2 LYS 11 HB2 LYS 11 17.233 -4.203 -5.403
14 HB3 LYS 11 HB1 LYS 11 18.745 -3.804 -4.590
15 HG2 LYS 11 HG2 LYS 11 18.868 -6.006 -3.580
16 HG3 LYS 11 HG1 LYS 11 17.271 -6.417 -4.187
17 HD2 LYS 11 HD2 LYS 11 19.034 -7.473 -5.541
18 HD3 LYS 11 HD1 LYS 11 18.120 -6.316 -6.499
19 HE2 LYS 11 HE2 LYS 11 20.790 -5.736 -5.193
20 HE3 LYS 11 HE1 LYS 11 20.580 -6.170 -6.887
21 HZ1 LYS 11 HZ1 LYS 11 20.275 -3.661 -5.640
22 HZ2 LYS 11 HZ2 LYS 11 18.805 -4.121 -6.356
23 HZ3 LYS 11 HZ3 LYS 11 20.222 -4.042 -7.293
24 H PHE 12 HN PHE 12 14.373 -0.761 -3.188
25 HA PHE 12 HA PHE 12 17.032 0.136 -3.369
26 HB2 PHE 12 HB2 PHE 12 17.584 0.387 -0.974
27 HB3 PHE 12 HB1 PHE 12 16.546 1.665 -1.583
28 HD1 PHE 12 HD2 PHE 12 14.369 -1.128 -1.305
29 HD2 PHE 12 HD1 PHE 12 16.543 1.683 1.135
30 HE1 PHE 12 HE2 PHE 12 12.742 -1.401 0.499
31 HE2 PHE 12 HE1 PHE 12 14.877 1.357 2.939
32 HZ PHE 12 HZ PHE 12 12.944 -0.170 2.578
33 H ILE 13 HN ILE 13 13.155 3.361 -4.428
34 HA ILE 13 HA ILE 13 12.480 0.681 -3.365
35 HB ILE 13 HB ILE 13 13.359 -0.498 -5.256
36 HG12 ILE 13 HG12 ILE 13 15.114 1.041 -5.992
37 HG13 ILE 13 HG11 ILE 13 14.064 0.647 -7.337
38 HG21 ILE 13 HG21 ILE 13 10.947 0.936 -5.326
39 HG22 ILE 13 HG22 ILE 13 11.383 -0.398 -6.387
40 HG23 ILE 13 HG23 ILE 13 11.664 1.259 -6.903
41 HD11 ILE 13 HD11 ILE 13 14.462 3.239 -5.945
42 HD12 ILE 13 HD12 ILE 13 12.833 2.879 -6.498
43 HD13 ILE 13 HD13 ILE 13 14.158 2.907 -7.645
44 H ARG 14 HN ARG 14 10.942 5.658 -2.107
45 HA ARG 14 HA ARG 14 9.875 4.460 -3.681
46 HB2 ARG 14 HB2 ARG 14 11.070 6.035 -5.186
47 HB3 ARG 14 HB1 ARG 14 12.365 4.854 -5.323
48 HG2 ARG 14 HG2 ARG 14 10.945 4.602 -7.260
49 HG3 ARG 14 HG1 ARG 14 10.667 3.221 -6.212
50 HD2 ARG 14 HD2 ARG 14 8.560 4.126 -7.112
51 HD3 ARG 14 HD1 ARG 14 8.596 4.211 -5.364
52 HE ARG 14 HE ARG 14 9.604 6.631 -6.431
53 HH11 ARG 14 HH21 ARG 14 6.686 4.793 -6.160
54 HH12 ARG 14 HH22 ARG 14 5.647 6.179 -6.189
55 HH21 ARG 14 HH11 ARG 14 8.251 8.452 -6.471
56 HH22 ARG 14 HH12 ARG 14 6.534 8.251 -6.366
57 H VAL 15 HN VAL 15 15.171 5.441 -1.276
58 HA VAL 15 HA VAL 15 12.418 6.339 -0.759
59 HB VAL 15 HB VAL 15 14.245 7.748 -2.714
60 HG11 VAL 15 HG11 VAL 15 11.284 7.941 -2.122
61 HG12 VAL 15 HG12 VAL 15 12.062 7.652 -3.678
62 HG13 VAL 15 HG13 VAL 15 12.175 9.240 -2.917
63 HG21 VAL 15 HG21 VAL 15 13.016 8.529 -0.059
64 HG22 VAL 15 HG22 VAL 15 13.589 9.726 -1.219
65 HG23 VAL 15 HG23 VAL 15 14.719 8.569 -0.519
66 H8 4FU 16 HAM 4FU 16 15.383 3.646 1.403
67 H9 4FU 16 HAI 4FU 16 16.788 3.218 3.380
68 HAI 4FU 16 HAJ 4FU 16 17.732 3.833 2.006
69 H112 4FU 16 HAE 4FU 16 18.409 4.941 4.096
70 H111 4FU 16 HAF 4FU 16 16.737 5.486 4.355
71 HAG 4FU 16 HAG 4FU 16 18.109 7.273 3.325
72 H12 4FU 16 HAH 4FU 16 18.510 6.181 1.981
73 HAL 4FU 16 HAL 4FU 16 16.703 7.690 1.337
74 HAK 4FU 16 HAK 4FU 16 15.725 7.182 2.724
75 H14 4FU 16 HAN 4FU 16 16.661 5.454 0.400
76 H GLY 17 HN GLY 17 15.460 6.320 3.830
77 HA2 GLY 17 HA2 GLY 17 13.886 5.548 5.813
78 HA3 GLY 17 HA1 GLY 17 13.627 7.121 5.070
79 H VAL 18 HN VAL 18 12.145 7.107 3.105
80 HA VAL 18 HA VAL 18 9.800 5.411 3.687
81 HB VAL 18 HB VAL 18 10.104 7.798 1.837
82 HG11 VAL 18 HG11 VAL 18 7.722 6.134 2.699
83 HG12 VAL 18 HG12 VAL 18 8.318 6.380 1.057
84 HG13 VAL 18 HG13 VAL 18 7.573 7.717 1.933
85 HG21 VAL 18 HG21 VAL 18 8.978 9.060 3.553
86 HG22 VAL 18 HG22 VAL 18 10.318 8.223 4.335
87 HG23 VAL 18 HG23 VAL 18 8.675 7.606 4.505
88 H THR 19 HN THR 19 10.643 3.464 2.839
89 HA THR 19 HA THR 19 10.420 3.262 -0.065
90 HB THR 19 HB THR 19 12.936 2.470 1.403
91 HG1 THR 19 HG1 THR 19 12.458 4.483 -0.528
92 HG21 THR 19 HG21 THR 19 12.285 2.509 -1.523
93 HG22 THR 19 HG22 THR 19 12.281 1.052 -0.570
94 HG23 THR 19 HG23 THR 19 13.772 1.950 -0.815
95 H ILE 20 HN ILE 20 10.140 1.129 -0.789
96 HA ILE 20 HA ILE 20 9.634 -0.961 1.233
97 HB ILE 20 HB ILE 20 7.787 -0.194 -1.039
98 HG12 ILE 20 HG12 ILE 20 7.644 1.362 0.873
99 HG13 ILE 20 HG11 ILE 20 6.182 0.396 0.725
100 HG21 ILE 20 HG21 ILE 20 7.764 -2.469 0.940
101 HG22 ILE 20 HG22 ILE 20 7.649 -2.543 -0.818
102 HG23 ILE 20 HG23 ILE 20 6.296 -1.924 0.130
103 HD11 ILE 20 HD11 ILE 20 7.688 -1.153 2.453
104 HD12 ILE 20 HD12 ILE 20 6.473 0.015 2.947
105 HD13 ILE 20 HD13 ILE 20 8.165 0.478 2.907
106 H ARG 21 HN ARG 21 10.321 -2.946 0.683
107 HA ARG 21 HA ARG 21 10.414 -3.982 -1.924
108 HB2 ARG 21 HB2 ARG 21 12.266 -2.446 -2.224
109 HB3 ARG 21 HB1 ARG 21 13.019 -3.027 -0.766
110 HG2 ARG 21 HG2 ARG 21 14.104 -3.880 -2.707
111 HG3 ARG 21 HG1 ARG 21 13.378 -5.172 -1.776
112 HD2 ARG 21 HD2 ARG 21 11.514 -5.252 -3.352
113 HD3 ARG 21 HD1 ARG 21 12.216 -3.913 -4.259
114 HE ARG 21 HE ARG 21 13.082 -6.624 -4.261
115 HH11 ARG 21 HH21 ARG 21 14.021 -3.344 -4.677
116 HH12 ARG 21 HH22 ARG 21 15.503 -3.726 -5.488
117 HH21 ARG 21 HH11 ARG 21 15.012 -7.156 -5.326
118 HH22 ARG 21 HH12 ARG 21 16.064 -5.886 -5.855
119 H GLU 22 HN GLU 22 11.558 -6.222 -1.866
120 HA GLU 22 HA GLU 22 10.722 -7.497 0.564
121 HB2 GLU 22 HB2 GLU 22 12.137 -8.673 -1.839
122 HB3 GLU 22 HB1 GLU 22 11.487 -9.611 -0.496
123 HG2 GLU 22 HG2 GLU 22 9.880 -9.593 -2.335
124 HG3 GLU 22 HG1 GLU 22 9.230 -8.682 -0.976
125 H LYS 23 HN LYS 23 11.923 -7.046 2.301
126 HA LYS 23 HA LYS 23 14.847 -7.215 2.167
127 HB2 LYS 23 HB2 LYS 23 14.764 -6.332 4.475
128 HB3 LYS 23 HB1 LYS 23 13.857 -5.324 3.347
129 HG2 LYS 23 HG2 LYS 23 11.754 -6.378 4.048
130 HG3 LYS 23 HG1 LYS 23 12.628 -7.452 5.128
131 HD2 LYS 23 HD2 LYS 23 11.633 -5.611 6.399
132 HD3 LYS 23 HD1 LYS 23 13.387 -5.513 6.458
133 HE2 LYS 23 HE2 LYS 23 12.355 -3.294 6.105
134 HE3 LYS 23 HE1 LYS 23 13.353 -3.735 4.734
135 HZ1 LYS 23 HZ1 LYS 23 10.509 -4.458 4.704
136 HZ2 LYS 23 HZ2 LYS 23 11.535 -4.068 3.406
137 HZ3 LYS 23 HZ3 LYS 23 10.934 -2.843 4.416
138 HN1 NH2 24 H1 NH2 24 16.053 -8.792 3.345
139 HN2 NH2 24 H2 NH2 24 15.325 -10.155 4.047
Start of MODEL 4
1 HN1 NH2 9 H1 NH2 9 21.402 -6.270 -0.043
2 HN2 NH2 9 H2 NH2 9 22.198 -7.046 -1.325
3 H GLN 10 HN GLN 10 17.042 -6.279 -1.766
4 HA GLN 10 HA GLN 10 19.172 -5.735 -0.086
5 HB2 GLN 10 HB2 GLN 10 18.010 -8.453 -0.737
6 HB3 GLN 10 HB1 GLN 10 19.021 -8.093 0.663
7 HG2 GLN 10 HG2 GLN 10 17.365 -6.485 1.492
8 HG3 GLN 10 HG1 GLN 10 16.394 -6.747 0.072
9 HE21 GLN 10 HE21 GLN 10 14.727 -8.212 0.308
10 HE22 GLN 10 HE22 GLN 10 14.738 -9.502 1.420
11 H LYS 11 HN LYS 11 18.347 -2.715 -3.768
12 HA LYS 11 HA LYS 11 16.411 -4.944 -3.512
13 HB2 LYS 11 HB2 LYS 11 18.817 -4.850 -5.346
14 HB3 LYS 11 HB1 LYS 11 17.800 -6.249 -5.096
15 HG2 LYS 11 HG2 LYS 11 16.970 -3.605 -6.334
16 HG3 LYS 11 HG1 LYS 11 17.222 -5.113 -7.194
17 HD2 LYS 11 HD2 LYS 11 15.016 -4.529 -5.189
18 HD3 LYS 11 HD1 LYS 11 14.840 -4.743 -6.914
19 HE2 LYS 11 HE2 LYS 11 15.702 -6.881 -4.944
20 HE3 LYS 11 HE1 LYS 11 14.166 -6.780 -5.781
21 HZ1 LYS 11 HZ1 LYS 11 15.249 -8.163 -7.173
22 HZ2 LYS 11 HZ2 LYS 11 16.783 -7.530 -6.813
23 HZ3 LYS 11 HZ3 LYS 11 15.739 -6.691 -7.859
24 H PHE 12 HN PHE 12 14.610 -0.545 -4.022
25 HA PHE 12 HA PHE 12 17.373 -0.630 -4.470
26 HB2 PHE 12 HB2 PHE 12 18.199 -1.244 -2.228
27 HB3 PHE 12 HB1 PHE 12 17.681 0.433 -2.310
28 HD1 PHE 12 HD2 PHE 12 14.544 -0.858 -2.280
29 HD2 PHE 12 HD1 PHE 12 17.998 -0.856 0.283
30 HE1 PHE 12 HE2 PHE 12 13.101 -1.121 -0.365
31 HE2 PHE 12 HE1 PHE 12 16.504 -1.167 2.237
32 HZ PHE 12 HZ PHE 12 14.037 -1.289 1.912
33 H ILE 13 HN ILE 13 14.560 3.946 -3.788
34 HA ILE 13 HA ILE 13 13.337 1.250 -3.670
35 HB ILE 13 HB ILE 13 12.835 2.509 -5.728
36 HG12 ILE 13 HG12 ILE 13 14.822 0.250 -6.176
37 HG13 ILE 13 HG11 ILE 13 13.113 0.036 -5.804
38 HG21 ILE 13 HG21 ILE 13 14.655 3.101 -7.284
39 HG22 ILE 13 HG22 ILE 13 15.849 2.489 -6.141
40 HG23 ILE 13 HG23 ILE 13 14.898 3.917 -5.742
41 HD11 ILE 13 HD11 ILE 13 13.463 -0.153 -8.217
42 HD12 ILE 13 HD12 ILE 13 14.260 1.419 -8.248
43 HD13 ILE 13 HD13 ILE 13 12.540 1.307 -7.869
44 H ARG 14 HN ARG 14 12.072 5.138 -0.134
45 HA ARG 14 HA ARG 14 13.488 5.539 -2.614
46 HB2 ARG 14 HB2 ARG 14 14.531 6.011 -0.452
47 HB3 ARG 14 HB1 ARG 14 14.341 4.324 0.012
48 HG2 ARG 14 HG2 ARG 14 15.796 3.631 -1.847
49 HG3 ARG 14 HG1 ARG 14 15.974 5.318 -2.335
50 HD2 ARG 14 HD2 ARG 14 16.745 4.174 0.356
51 HD3 ARG 14 HD1 ARG 14 17.878 4.560 -0.937
52 HE ARG 14 HE ARG 14 16.775 6.396 0.932
53 HH11 ARG 14 HH21 ARG 14 17.648 6.047 -2.406
54 HH12 ARG 14 HH22 ARG 14 17.878 7.745 -2.660
55 HH21 ARG 14 HH11 ARG 14 17.082 8.615 0.598
56 HH22 ARG 14 HH12 ARG 14 17.559 9.196 -0.962
57 H VAL 15 HN VAL 15 9.381 7.777 -2.030
58 HA VAL 15 HA VAL 15 10.043 5.821 0.108
59 HB VAL 15 HB VAL 15 7.768 5.411 -0.729
60 HG11 VAL 15 HG11 VAL 15 7.252 5.090 -3.001
61 HG12 VAL 15 HG12 VAL 15 8.936 4.836 -3.452
62 HG13 VAL 15 HG13 VAL 15 8.369 6.455 -3.039
63 HG21 VAL 15 HG21 VAL 15 9.297 3.518 -0.124
64 HG22 VAL 15 HG22 VAL 15 9.740 3.384 -1.827
65 HG23 VAL 15 HG23 VAL 15 8.079 3.075 -1.322
66 H8 4FU 16 HAM 4FU 16 10.927 10.152 -1.224
67 H9 4FU 16 HAI 4FU 16 10.795 12.582 -0.840
68 HAI 4FU 16 HAJ 4FU 16 9.425 12.005 -1.814
69 H112 4FU 16 HAE 4FU 16 8.647 13.569 -0.090
70 H111 4FU 16 HAF 4FU 16 9.378 12.557 1.177
71 HAG 4FU 16 HAG 4FU 16 6.961 12.095 0.974
72 H12 4FU 16 HAH 4FU 16 7.179 11.722 -0.751
73 HAL 4FU 16 HAL 4FU 16 7.102 9.664 0.602
74 HAK 4FU 16 HAK 4FU 16 8.479 10.236 1.572
75 H14 4FU 16 HAN 4FU 16 8.501 9.742 -1.429
76 H GLY 17 HN GLY 17 11.170 8.542 0.809
77 HA2 GLY 17 HA2 GLY 17 12.968 9.694 2.572
78 HA3 GLY 17 HA1 GLY 17 11.410 9.726 3.390
79 H VAL 18 HN VAL 18 10.204 7.573 3.352
80 HA VAL 18 HA VAL 18 11.794 5.605 4.587
81 HB VAL 18 HB VAL 18 9.728 4.276 4.542
82 HG11 VAL 18 HG11 VAL 18 10.106 6.193 6.161
83 HG12 VAL 18 HG12 VAL 18 8.417 5.755 5.902
84 HG13 VAL 18 HG13 VAL 18 9.093 7.175 5.103
85 HG21 VAL 18 HG21 VAL 18 8.708 6.528 2.794
86 HG22 VAL 18 HG22 VAL 18 7.709 5.243 3.470
87 HG23 VAL 18 HG23 VAL 18 8.957 4.859 2.285
88 H THR 19 HN THR 19 11.314 3.195 3.746
89 HA THR 19 HA THR 19 11.837 2.979 0.854
90 HB THR 19 HB THR 19 14.053 3.108 1.956
91 HG1 THR 19 HG1 THR 19 13.073 0.903 0.634
92 HG21 THR 19 HG21 THR 19 13.190 0.602 3.420
93 HG22 THR 19 HG22 THR 19 13.262 2.203 4.157
94 HG23 THR 19 HG23 THR 19 14.736 1.437 3.567
95 H ILE 20 HN ILE 20 11.363 0.860 0.004
96 HA ILE 20 HA ILE 20 10.312 -1.152 1.848
97 HB ILE 20 HB ILE 20 8.387 0.362 1.575
98 HG12 ILE 20 HG12 ILE 20 8.057 -2.242 0.040
99 HG13 ILE 20 HG11 ILE 20 8.009 -2.087 1.795
100 HG21 ILE 20 HG21 ILE 20 9.192 1.099 -0.760
101 HG22 ILE 20 HG22 ILE 20 7.455 0.880 -0.548
102 HG23 ILE 20 HG23 ILE 20 8.409 -0.362 -1.360
103 HD11 ILE 20 HD11 ILE 20 6.109 -0.794 -0.183
104 HD12 ILE 20 HD12 ILE 20 6.097 -0.493 1.555
105 HD13 ILE 20 HD13 ILE 20 5.730 -2.104 0.936
106 H ARG 21 HN ARG 21 10.280 -3.193 1.018
107 HA ARG 21 HA ARG 21 10.264 -3.810 -1.722
108 HB2 ARG 21 HB2 ARG 21 12.577 -4.541 -2.045
109 HB3 ARG 21 HB1 ARG 21 12.434 -2.817 -1.816
110 HG2 ARG 21 HG2 ARG 21 14.335 -3.541 -0.552
111 HG3 ARG 21 HG1 ARG 21 13.066 -3.176 0.602
112 HD2 ARG 21 HD2 ARG 21 14.324 -5.302 1.024
113 HD3 ARG 21 HD1 ARG 21 12.585 -5.437 0.969
114 HE ARG 21 HE ARG 21 12.906 -6.885 -0.832
115 HH11 ARG 21 HH21 ARG 21 15.533 -4.673 -0.567
116 HH12 ARG 21 HH22 ARG 21 16.340 -5.249 -1.972
117 HH21 ARG 21 HH11 ARG 21 13.954 -7.656 -2.685
118 HH22 ARG 21 HH12 ARG 21 15.449 -6.939 -3.182
119 H GLU 22 HN GLU 22 11.570 -6.289 -1.818
120 HA GLU 22 HA GLU 22 9.631 -7.918 -0.611
121 HB2 GLU 22 HB2 GLU 22 12.419 -8.670 -1.522
122 HB3 GLU 22 HB1 GLU 22 11.114 -9.809 -1.220
123 HG2 GLU 22 HG2 GLU 22 11.072 -7.609 -3.312
124 HG3 GLU 22 HG1 GLU 22 11.377 -9.309 -3.635
125 H LYS 23 HN LYS 23 12.895 -7.181 0.515
126 HA LYS 23 HA LYS 23 13.961 -7.438 2.461
127 HB2 LYS 23 HB2 LYS 23 12.118 -6.012 3.167
128 HB3 LYS 23 HB1 LYS 23 11.123 -7.428 3.510
129 HG2 LYS 23 HG2 LYS 23 12.832 -8.210 5.120
130 HG3 LYS 23 HG1 LYS 23 13.774 -6.766 4.792
131 HD2 LYS 23 HD2 LYS 23 10.969 -6.807 5.927
132 HD3 LYS 23 HD1 LYS 23 12.429 -6.580 6.878
133 HE2 LYS 23 HE2 LYS 23 11.394 -4.703 4.716
134 HE3 LYS 23 HE1 LYS 23 11.368 -4.420 6.445
135 HZ1 LYS 23 HZ1 LYS 23 13.908 -4.868 6.229
136 HZ2 LYS 23 HZ2 LYS 23 13.265 -3.336 5.875
137 HZ3 LYS 23 HZ3 LYS 23 13.656 -4.406 4.616
138 HN1 NH2 24 H1 NH2 24 14.960 -9.341 3.118
139 HN2 NH2 24 H2 NH2 24 14.174 -10.823 3.380
Start of MODEL 5
1 HN1 NH2 9 H1 NH2 9 21.286 -5.564 -1.294
2 HN2 NH2 9 H2 NH2 9 21.676 -6.711 -2.483
3 H GLN 10 HN GLN 10 16.742 -6.113 -1.290
4 HA GLN 10 HA GLN 10 19.295 -5.360 -0.317
5 HB2 GLN 10 HB2 GLN 10 18.035 -8.116 -0.230
6 HB3 GLN 10 HB1 GLN 10 19.334 -7.529 0.810
7 HG2 GLN 10 HG2 GLN 10 16.542 -6.403 0.649
8 HG3 GLN 10 HG1 GLN 10 17.179 -7.368 1.968
9 HE21 GLN 10 HE21 GLN 10 16.557 -4.215 1.099
10 HE22 GLN 10 HE22 GLN 10 17.707 -3.430 2.079
11 H LYS 11 HN LYS 11 15.407 -2.575 -3.496
12 HA LYS 11 HA LYS 11 15.651 -4.945 -2.773
13 HB2 LYS 11 HB2 LYS 11 17.432 -4.171 -5.092
14 HB3 LYS 11 HB1 LYS 11 16.867 -5.796 -4.720
15 HG2 LYS 11 HG2 LYS 11 14.538 -5.076 -4.994
16 HG3 LYS 11 HG1 LYS 11 15.069 -3.429 -5.290
17 HD2 LYS 11 HD2 LYS 11 14.534 -4.528 -7.411
18 HD3 LYS 11 HD1 LYS 11 16.251 -4.167 -7.330
19 HE2 LYS 11 HE2 LYS 11 15.815 -6.425 -8.243
20 HE3 LYS 11 HE1 LYS 11 16.738 -6.517 -6.756
21 HZ1 LYS 11 HZ1 LYS 11 13.795 -6.641 -6.689
22 HZ2 LYS 11 HZ2 LYS 11 14.916 -7.273 -5.578
23 HZ3 LYS 11 HZ3 LYS 11 14.689 -8.026 -7.084
24 H PHE 12 HN PHE 12 14.411 -1.045 -1.985
25 HA PHE 12 HA PHE 12 16.984 -0.119 -3.098
26 HB2 PHE 12 HB2 PHE 12 17.865 -0.126 -0.738
27 HB3 PHE 12 HB1 PHE 12 16.699 1.146 -1.100
28 HD1 PHE 12 HD1 PHE 12 16.803 -2.396 0.211
29 HD2 PHE 12 HD2 PHE 12 14.846 1.416 0.282
30 HE1 PHE 12 HE1 PHE 12 15.227 -3.221 1.894
31 HE2 PHE 12 HE2 PHE 12 13.279 0.555 2.007
32 HZ PHE 12 HZ PHE 12 13.444 -1.775 2.785
33 H ILE 13 HN ILE 13 12.712 2.141 -4.748
34 HA ILE 13 HA ILE 13 12.573 0.301 -2.433
35 HB ILE 13 HB ILE 13 11.365 -0.417 -4.471
36 HG12 ILE 13 HG12 ILE 13 13.882 -2.009 -3.928
37 HG13 ILE 13 HG11 ILE 13 12.413 -2.094 -2.971
38 HG21 ILE 13 HG21 ILE 13 14.123 -0.387 -5.758
39 HG22 ILE 13 HG22 ILE 13 12.833 0.758 -6.119
40 HG23 ILE 13 HG23 ILE 13 12.635 -0.944 -6.517
41 HD11 ILE 13 HD11 ILE 13 11.167 -2.880 -4.952
42 HD12 ILE 13 HD12 ILE 13 12.522 -3.949 -4.599
43 HD13 ILE 13 HD13 ILE 13 12.639 -2.792 -5.919
44 H ARG 14 HN ARG 14 11.151 5.667 -2.293
45 HA ARG 14 HA ARG 14 10.471 4.034 -3.731
46 HB2 ARG 14 HB2 ARG 14 13.255 4.165 -4.896
47 HB3 ARG 14 HB1 ARG 14 11.862 3.387 -5.619
48 HG2 ARG 14 HG2 ARG 14 12.122 6.351 -5.078
49 HG3 ARG 14 HG1 ARG 14 12.306 5.586 -6.642
50 HD2 ARG 14 HD2 ARG 14 9.764 5.674 -4.977
51 HD3 ARG 14 HD1 ARG 14 10.078 6.549 -6.458
52 HE ARG 14 HE ARG 14 9.186 3.860 -6.290
53 HH11 ARG 14 HH21 ARG 14 11.263 5.995 -8.062
54 HH12 ARG 14 HH22 ARG 14 11.241 5.036 -9.504
55 HH21 ARG 14 HH11 ARG 14 9.155 2.608 -8.178
56 HH22 ARG 14 HH12 ARG 14 10.050 3.123 -9.569
57 H VAL 15 HN VAL 15 15.231 6.099 -1.011
58 HA VAL 15 HA VAL 15 12.391 6.859 -0.937
59 HB VAL 15 HB VAL 15 14.327 7.969 -2.992
60 HG11 VAL 15 HG11 VAL 15 12.511 8.487 -4.267
61 HG12 VAL 15 HG12 VAL 15 11.695 9.238 -2.901
62 HG13 VAL 15 HG13 VAL 15 11.522 7.513 -3.182
63 HG21 VAL 15 HG21 VAL 15 14.684 9.197 -0.981
64 HG22 VAL 15 HG22 VAL 15 12.961 9.223 -0.599
65 HG23 VAL 15 HG23 VAL 15 13.581 10.184 -1.939
66 H8 4FU 16 HAM 4FU 16 15.288 4.786 1.839
67 H9 4FU 16 HAI 4FU 16 16.690 4.660 3.854
68 HAI 4FU 16 HAJ 4FU 16 17.629 5.189 2.439
69 H112 4FU 16 HAE 4FU 16 18.167 6.557 4.426
70 H111 4FU 16 HAF 4FU 16 16.453 7.019 4.561
71 HAG 4FU 16 HAG 4FU 16 17.762 8.763 3.379
72 H12 4FU 16 HAH 4FU 16 18.267 7.554 2.177
73 HAL 4FU 16 HAL 4FU 16 16.385 8.876 1.333
74 HAK 4FU 16 HAK 4FU 16 15.411 8.442 2.754
75 H14 4FU 16 HAN 4FU 16 16.557 6.531 0.679
76 H GLY 17 HN GLY 17 14.115 7.826 2.622
77 HA2 GLY 17 HA2 GLY 17 13.018 7.263 5.217
78 HA3 GLY 17 HA1 GLY 17 12.565 8.596 4.155
79 H VAL 18 HN VAL 18 11.282 7.939 2.177
80 HA VAL 18 HA VAL 18 9.105 6.183 2.999
81 HB VAL 18 HB VAL 18 7.969 7.162 1.051
82 HG11 VAL 18 HG11 VAL 18 9.355 9.233 2.770
83 HG12 VAL 18 HG12 VAL 18 7.940 8.301 3.258
84 HG13 VAL 18 HG13 VAL 18 7.823 9.448 1.923
85 HG21 VAL 18 HG21 VAL 18 9.387 9.270 0.118
86 HG22 VAL 18 HG22 VAL 18 9.464 7.690 -0.646
87 HG23 VAL 18 HG23 VAL 18 10.727 8.183 0.480
88 H THR 19 HN THR 19 10.381 4.225 2.816
89 HA THR 19 HA THR 19 10.539 3.250 0.031
90 HB THR 19 HB THR 19 12.651 2.144 0.522
91 HG1 THR 19 HG1 THR 19 11.965 2.909 3.041
92 HG21 THR 19 HG21 THR 19 12.432 4.627 -0.230
93 HG22 THR 19 HG22 THR 19 14.006 4.043 0.303
94 HG23 THR 19 HG23 THR 19 13.000 4.997 1.392
95 H ILE 20 HN ILE 20 11.178 0.723 0.244
96 HA ILE 20 HA ILE 20 9.562 -0.518 2.361
97 HB ILE 20 HB ILE 20 8.008 -0.101 0.495
98 HG12 ILE 20 HG12 ILE 20 8.778 -3.035 0.646
99 HG13 ILE 20 HG11 ILE 20 7.761 -2.202 1.824
100 HG21 ILE 20 HG21 ILE 20 9.816 -1.877 -1.158
101 HG22 ILE 20 HG22 ILE 20 9.852 -0.116 -1.243
102 HG23 ILE 20 HG23 ILE 20 8.390 -0.991 -1.700
103 HD11 ILE 20 HD11 ILE 20 6.324 -3.338 0.236
104 HD12 ILE 20 HD12 ILE 20 7.189 -2.618 -1.123
105 HD13 ILE 20 HD13 ILE 20 6.211 -1.603 -0.065
106 H ARG 21 HN ARG 21 9.788 -2.831 2.471
107 HA ARG 21 HA ARG 21 12.577 -3.612 1.924
108 HB2 ARG 21 HB2 ARG 21 11.408 -3.564 4.228
109 HB3 ARG 21 HB1 ARG 21 10.468 -4.927 3.659
110 HG2 ARG 21 HG2 ARG 21 13.454 -4.817 4.064
111 HG3 ARG 21 HG1 ARG 21 12.301 -5.701 5.028
112 HD2 ARG 21 HD2 ARG 21 13.454 -7.249 3.596
113 HD3 ARG 21 HD1 ARG 21 11.785 -7.132 3.054
114 HE ARG 21 HE ARG 21 12.644 -6.437 1.018
115 HH11 ARG 21 HH21 ARG 21 14.932 -5.862 3.513
116 HH12 ARG 21 HH22 ARG 21 15.994 -4.937 2.517
117 HH21 ARG 21 HH11 ARG 21 14.000 -5.223 -0.314
118 HH22 ARG 21 HH12 ARG 21 15.472 -4.576 0.331
119 H GLU 22 HN GLU 22 12.656 -4.561 -0.069
120 HA GLU 22 HA GLU 22 10.473 -6.209 -1.042
121 HB2 GLU 22 HB2 GLU 22 11.635 -4.671 -2.571
122 HB3 GLU 22 HB1 GLU 22 13.153 -5.515 -2.274
123 HG2 GLU 22 HG2 GLU 22 12.120 -6.265 -4.384
124 HG3 GLU 22 HG1 GLU 22 12.199 -7.586 -3.224
125 H LYS 23 HN LYS 23 13.940 -6.675 -0.319
126 HA LYS 23 HA LYS 23 15.154 -8.677 -0.403
127 HB2 LYS 23 HB2 LYS 23 14.826 -7.947 1.864
128 HB3 LYS 23 HB1 LYS 23 13.314 -8.843 1.970
129 HG2 LYS 23 HG2 LYS 23 14.545 -10.944 1.518
130 HG3 LYS 23 HG1 LYS 23 16.042 -10.028 1.433
131 HD2 LYS 23 HD2 LYS 23 14.254 -10.190 3.870
132 HD3 LYS 23 HD1 LYS 23 15.696 -11.168 3.633
133 HE2 LYS 23 HE2 LYS 23 17.057 -9.087 3.526
134 HE3 LYS 23 HE1 LYS 23 15.608 -8.139 3.845
135 HZ1 LYS 23 HZ1 LYS 23 15.866 -10.247 5.700
136 HZ2 LYS 23 HZ2 LYS 23 15.726 -8.577 5.972
137 HZ3 LYS 23 HZ3 LYS 23 17.252 -9.271 5.701
138 HN1 NH2 24 H1 NH2 24 14.391 -9.883 -2.304
139 HN2 NH2 24 H2 NH2 24 13.309 -11.178 -2.123
Start of MODEL 6
1 HN1 NH2 9 H1 NH2 9 15.445 -7.649 -0.803
2 HN2 NH2 9 H2 NH2 9 15.664 -9.316 -0.571
3 H GLN 10 HN GLN 10 16.207 -5.714 -1.783
4 HA GLN 10 HA GLN 10 18.759 -7.064 -2.032
5 HB2 GLN 10 HB2 GLN 10 18.577 -5.140 -0.576
6 HB3 GLN 10 HB1 GLN 10 17.200 -5.852 0.256
7 HG2 GLN 10 HG2 GLN 10 19.887 -7.148 0.136
8 HG3 GLN 10 HG1 GLN 10 19.425 -6.042 1.406
9 HE21 GLN 10 HE21 GLN 10 16.540 -7.416 0.896
10 HE22 GLN 10 HE22 GLN 10 16.655 -8.792 1.885
11 H LYS 11 HN LYS 11 17.066 -3.729 -4.644
12 HA LYS 11 HA LYS 11 14.967 -5.443 -3.534
13 HB2 LYS 11 HB2 LYS 11 15.150 -7.035 -5.420
14 HB3 LYS 11 HB1 LYS 11 14.437 -5.473 -5.809
15 HG2 LYS 11 HG2 LYS 11 16.502 -4.710 -6.829
16 HG3 LYS 11 HG1 LYS 11 17.334 -6.173 -6.341
17 HD2 LYS 11 HD2 LYS 11 16.689 -6.243 -8.726
18 HD3 LYS 11 HD1 LYS 11 15.916 -7.522 -7.803
19 HE2 LYS 11 HE2 LYS 11 14.596 -4.894 -8.544
20 HE3 LYS 11 HE1 LYS 11 14.362 -6.412 -9.407
21 HZ1 LYS 11 HZ1 LYS 11 13.114 -5.504 -7.040
22 HZ2 LYS 11 HZ2 LYS 11 13.947 -6.948 -6.718
23 HZ3 LYS 11 HZ3 LYS 11 12.778 -6.894 -7.954
24 H PHE 12 HN PHE 12 14.160 -0.934 -3.033
25 HA PHE 12 HA PHE 12 15.910 -1.391 -5.357
26 HB2 PHE 12 HB2 PHE 12 17.750 -1.958 -3.766
27 HB3 PHE 12 HB1 PHE 12 17.282 -0.255 -3.684
28 HD1 PHE 12 HD1 PHE 12 16.580 -3.588 -2.077
29 HD2 PHE 12 HD2 PHE 12 16.561 0.677 -1.672
30 HE1 PHE 12 HE1 PHE 12 15.827 -3.814 0.258
31 HE2 PHE 12 HE2 PHE 12 15.829 0.454 0.683
32 HZ PHE 12 HZ PHE 12 15.453 -1.781 1.631
33 H ILE 13 HN ILE 13 13.777 3.221 -4.337
34 HA ILE 13 HA ILE 13 13.041 0.797 -2.822
35 HB ILE 13 HB ILE 13 11.677 0.113 -4.713
36 HG12 ILE 13 HG12 ILE 13 12.906 1.224 -6.543
37 HG13 ILE 13 HG11 ILE 13 11.199 1.624 -6.582
38 HG21 ILE 13 HG21 ILE 13 9.900 1.799 -4.462
39 HG22 ILE 13 HG22 ILE 13 11.067 2.932 -3.783
40 HG23 ILE 13 HG23 ILE 13 10.670 1.450 -2.914
41 HD11 ILE 13 HD11 ILE 13 12.145 3.705 -5.082
42 HD12 ILE 13 HD12 ILE 13 11.973 3.747 -6.831
43 HD13 ILE 13 HD13 ILE 13 13.538 3.378 -6.120
44 H ARG 14 HN ARG 14 12.674 4.943 -1.069
45 HA ARG 14 HA ARG 14 14.361 4.980 -3.314
46 HB2 ARG 14 HB2 ARG 14 16.037 5.770 -1.725
47 HB3 ARG 14 HB1 ARG 14 15.688 4.425 -0.652
48 HG2 ARG 14 HG2 ARG 14 17.734 3.985 -1.921
49 HG3 ARG 14 HG1 ARG 14 16.480 2.849 -2.384
50 HD2 ARG 14 HD2 ARG 14 16.010 4.135 -4.409
51 HD3 ARG 14 HD1 ARG 14 17.185 5.357 -3.930
52 HE ARG 14 HE ARG 14 18.465 2.850 -4.004
53 HH11 ARG 14 HH21 ARG 14 16.920 5.134 -6.094
54 HH12 ARG 14 HH22 ARG 14 17.875 4.721 -7.478
55 HH21 ARG 14 HH11 ARG 14 19.721 2.304 -5.814
56 HH22 ARG 14 HH12 ARG 14 19.461 3.119 -7.320
57 H VAL 15 HN VAL 15 13.816 8.564 0.445
58 HA VAL 15 HA VAL 15 11.651 6.721 -0.427
59 HB VAL 15 HB VAL 15 11.314 8.128 -2.405
60 HG11 VAL 15 HG11 VAL 15 9.993 9.766 -1.345
61 HG12 VAL 15 HG12 VAL 15 11.128 9.958 -0.011
62 HG13 VAL 15 HG13 VAL 15 10.131 8.510 -0.116
63 HG21 VAL 15 HG21 VAL 15 13.296 9.277 -2.867
64 HG22 VAL 15 HG22 VAL 15 13.584 9.683 -1.176
65 HG23 VAL 15 HG23 VAL 15 12.363 10.558 -2.099
66 H8 4FU 16 HAM 4FU 16 12.705 9.477 4.698
67 H9 4FU 16 HAI 4FU 16 10.984 9.735 2.206
68 HAI 4FU 16 HAJ 4FU 16 10.758 10.637 3.723
69 H112 4FU 16 HAE 4FU 16 13.000 11.627 3.490
70 H111 4FU 16 HAF 4FU 16 11.989 11.986 2.071
71 HAG 4FU 16 HAG 4FU 16 13.056 10.143 0.828
72 H12 4FU 16 HAH 4FU 16 14.274 11.294 1.421
73 HAL 4FU 16 HAL 4FU 16 14.746 9.841 3.338
74 HAK 4FU 16 HAK 4FU 16 14.974 8.947 1.819
75 H14 4FU 16 HAN 4FU 16 13.742 7.600 3.479
76 H GLY 17 HN GLY 17 9.990 8.392 2.765
77 HA2 GLY 17 HA2 GLY 17 9.259 6.458 4.908
78 HA3 GLY 17 HA1 GLY 17 8.104 7.417 3.991
79 H VAL 18 HN VAL 18 9.437 7.011 1.411
80 HA VAL 18 HA VAL 18 8.329 4.370 0.847
81 HB VAL 18 HB VAL 18 9.406 6.493 -1.022
82 HG11 VAL 18 HG11 VAL 18 9.454 4.665 -2.436
83 HG12 VAL 18 HG12 VAL 18 7.731 4.997 -2.549
84 HG13 VAL 18 HG13 VAL 18 8.314 3.742 -1.457
85 HG21 VAL 18 HG21 VAL 18 6.618 5.776 -0.078
86 HG22 VAL 18 HG22 VAL 18 6.931 6.810 -1.473
87 HG23 VAL 18 HG23 VAL 18 7.459 7.313 0.133
88 H THR 19 HN THR 19 10.849 4.640 2.311
89 HA THR 19 HA THR 19 12.614 3.106 0.483
90 HB THR 19 HB THR 19 13.426 4.893 2.785
91 HG1 THR 19 HG1 THR 19 14.037 6.286 1.271
92 HG21 THR 19 HG21 THR 19 14.933 2.980 1.012
93 HG22 THR 19 HG22 THR 19 15.032 3.186 2.761
94 HG23 THR 19 HG23 THR 19 15.740 4.394 1.690
95 H ILE 20 HN ILE 20 12.809 0.996 1.056
96 HA ILE 20 HA ILE 20 13.193 0.229 3.791
97 HB ILE 20 HB ILE 20 10.780 0.817 3.866
98 HG12 ILE 20 HG12 ILE 20 9.914 -1.289 4.792
99 HG13 ILE 20 HG11 ILE 20 11.241 -2.178 4.065
100 HG21 ILE 20 HG21 ILE 20 10.418 -1.446 1.895
101 HG22 ILE 20 HG22 ILE 20 10.387 0.261 1.451
102 HG23 ILE 20 HG23 ILE 20 9.166 -0.388 2.545
103 HD11 ILE 20 HD11 ILE 20 12.826 -1.262 5.549
104 HD12 ILE 20 HD12 ILE 20 11.409 -1.439 6.578
105 HD13 ILE 20 HD13 ILE 20 11.817 0.139 5.907
106 H ARG 21 HN ARG 21 13.290 -2.109 4.125
107 HA ARG 21 HA ARG 21 13.996 -3.576 1.666
108 HB2 ARG 21 HB2 ARG 21 15.875 -3.297 3.225
109 HB3 ARG 21 HB1 ARG 21 14.915 -4.006 4.514
110 HG2 ARG 21 HG2 ARG 21 14.801 -6.131 3.334
111 HG3 ARG 21 HG1 ARG 21 15.626 -5.435 1.937
112 HD2 ARG 21 HD2 ARG 21 16.797 -5.594 4.724
113 HD3 ARG 21 HD1 ARG 21 17.163 -6.724 3.421
114 HE ARG 21 HE ARG 21 17.628 -4.187 2.387
115 HH11 ARG 21 HH21 ARG 21 18.760 -6.172 4.997
116 HH12 ARG 21 HH22 ARG 21 20.384 -5.573 4.936
117 HH21 ARG 21 HH11 ARG 21 19.762 -3.398 2.307
118 HH22 ARG 21 HH12 ARG 21 20.952 -4.002 3.413
119 H GLU 22 HN GLU 22 13.042 -5.329 1.142
120 HA GLU 22 HA GLU 22 11.837 -7.285 2.697
121 HB2 GLU 22 HB2 GLU 22 10.141 -5.548 3.296
122 HB3 GLU 22 HB1 GLU 22 9.838 -5.269 1.585
123 HG2 GLU 22 HG2 GLU 22 8.136 -6.762 2.556
124 HG3 GLU 22 HG1 GLU 22 9.083 -7.602 1.334
125 H LYS 23 HN LYS 23 12.426 -5.480 -0.057
126 HA LYS 23 HA LYS 23 11.310 -7.246 -2.028
127 HB2 LYS 23 HB2 LYS 23 13.204 -4.899 -2.191
128 HB3 LYS 23 HB1 LYS 23 12.656 -5.798 -3.606
129 HG2 LYS 23 HG2 LYS 23 11.324 -3.762 -3.300
130 HG3 LYS 23 HG1 LYS 23 10.316 -5.181 -3.070
131 HD2 LYS 23 HD2 LYS 23 10.443 -4.914 -0.642
132 HD3 LYS 23 HD1 LYS 23 11.541 -3.546 -0.821
133 HE2 LYS 23 HE2 LYS 23 8.689 -3.699 -1.854
134 HE3 LYS 23 HE1 LYS 23 9.207 -2.815 -0.419
135 HZ1 LYS 23 HZ1 LYS 23 9.321 -1.151 -1.922
136 HZ2 LYS 23 HZ2 LYS 23 9.601 -2.184 -3.241
137 HZ3 LYS 23 HZ3 LYS 23 10.870 -1.788 -2.180
138 HN1 NH2 24 H1 NH2 24 12.967 -8.764 -0.301
139 HN2 NH2 24 H2 NH2 24 14.333 -9.269 -1.173
Start of MODEL 7
1 HN1 NH2 9 H1 NH2 9 16.713 -7.856 -2.989
2 HN2 NH2 9 H2 NH2 9 17.515 -9.337 -3.200
3 H GLN 10 HN GLN 10 16.521 -5.729 -1.870
4 HA GLN 10 HA GLN 10 19.420 -6.087 -1.762
5 HB2 GLN 10 HB2 GLN 10 19.076 -7.080 0.407
6 HB3 GLN 10 HB1 GLN 10 18.107 -5.616 0.313
7 HG2 GLN 10 HG2 GLN 10 17.092 -8.455 -0.027
8 HG3 GLN 10 HG1 GLN 10 16.850 -7.434 1.379
9 HE21 GLN 10 HE21 GLN 10 14.882 -6.375 1.418
10 HE22 GLN 10 HE22 GLN 10 13.933 -6.028 0.057
11 H LYS 11 HN LYS 11 15.866 -2.309 -4.011
12 HA LYS 11 HA LYS 11 15.581 -4.716 -3.572
13 HB2 LYS 11 HB2 LYS 11 17.407 -4.213 -5.934
14 HB3 LYS 11 HB1 LYS 11 16.433 -5.650 -5.640
15 HG2 LYS 11 HG2 LYS 11 14.382 -4.330 -5.705
16 HG3 LYS 11 HG1 LYS 11 15.318 -2.858 -5.891
17 HD2 LYS 11 HD2 LYS 11 14.397 -3.544 -8.052
18 HD3 LYS 11 HD1 LYS 11 16.149 -3.650 -8.078
19 HE2 LYS 11 HE2 LYS 11 14.288 -5.998 -7.618
20 HE3 LYS 11 HE1 LYS 11 15.038 -5.603 -9.160
21 HZ1 LYS 11 HZ1 LYS 11 16.702 -6.883 -8.482
22 HZ2 LYS 11 HZ2 LYS 11 16.140 -6.927 -6.878
23 HZ3 LYS 11 HZ3 LYS 11 17.115 -5.639 -7.405
24 H PHE 12 HN PHE 12 15.405 -0.931 -3.045
25 HA PHE 12 HA PHE 12 18.196 -0.338 -3.542
26 HB2 PHE 12 HB2 PHE 12 18.846 -0.799 -1.177
27 HB3 PHE 12 HB1 PHE 12 17.916 0.690 -1.372
28 HD1 PHE 12 HD1 PHE 12 17.465 -2.978 -0.628
29 HD2 PHE 12 HD2 PHE 12 15.947 1.006 -0.168
30 HE1 PHE 12 HE1 PHE 12 15.633 -3.841 0.769
31 HE2 PHE 12 HE2 PHE 12 14.131 0.133 1.256
32 HZ PHE 12 HZ PHE 12 13.955 -2.276 1.732
33 H ILE 13 HN ILE 13 14.635 3.452 -3.846
34 HA ILE 13 HA ILE 13 13.843 0.665 -3.233
35 HB ILE 13 HB ILE 13 14.821 1.965 -5.783
36 HG12 ILE 13 HG12 ILE 13 12.125 0.788 -5.023
37 HG13 ILE 13 HG11 ILE 13 12.495 2.508 -5.129
38 HG21 ILE 13 HG21 ILE 13 15.551 -0.149 -6.294
39 HG22 ILE 13 HG22 ILE 13 13.848 -0.568 -6.449
40 HG23 ILE 13 HG23 ILE 13 14.696 -0.869 -4.937
41 HD11 ILE 13 HD11 ILE 13 12.976 2.298 -7.515
42 HD12 ILE 13 HD12 ILE 13 11.375 1.637 -7.186
43 HD13 ILE 13 HD13 ILE 13 12.741 0.551 -7.437
44 H ARG 14 HN ARG 14 11.804 4.762 -0.568
45 HA ARG 14 HA ARG 14 13.478 5.049 -2.961
46 HB2 ARG 14 HB2 ARG 14 14.219 4.544 -0.095
47 HB3 ARG 14 HB1 ARG 14 15.363 4.696 -1.429
48 HG2 ARG 14 HG2 ARG 14 14.509 6.958 -1.912
49 HG3 ARG 14 HG1 ARG 14 13.364 6.812 -0.579
50 HD2 ARG 14 HD2 ARG 14 16.377 6.658 -0.329
51 HD3 ARG 14 HD1 ARG 14 15.391 8.052 0.102
52 HE ARG 14 HE ARG 14 15.791 5.719 1.685
53 HH11 ARG 14 HH21 ARG 14 13.478 8.110 0.756
54 HH12 ARG 14 HH22 ARG 14 12.511 7.930 2.179
55 HH21 ARG 14 HH11 ARG 14 14.531 5.484 3.570
56 HH22 ARG 14 HH12 ARG 14 13.105 6.445 3.773
57 H VAL 15 HN VAL 15 9.134 7.409 -2.871
58 HA VAL 15 HA VAL 15 9.811 5.634 -0.582
59 HB VAL 15 HB VAL 15 7.690 5.085 -1.700
60 HG11 VAL 15 HG11 VAL 15 7.539 4.606 -4.017
61 HG12 VAL 15 HG12 VAL 15 9.290 4.518 -4.201
62 HG13 VAL 15 HG13 VAL 15 8.507 6.077 -3.937
63 HG21 VAL 15 HG21 VAL 15 9.345 3.321 -0.854
64 HG22 VAL 15 HG22 VAL 15 9.783 3.072 -2.544
65 HG23 VAL 15 HG23 VAL 15 8.132 2.763 -2.004
66 H8 4FU 16 HAM 4FU 16 8.245 11.345 -0.598
67 H9 4FU 16 HAI 4FU 16 7.627 8.709 0.782
68 HAI 4FU 16 HAJ 4FU 16 7.066 10.313 1.308
69 H112 4FU 16 HAE 4FU 16 5.878 10.619 -0.827
70 H111 4FU 16 HAF 4FU 16 5.324 9.151 0.011
71 HAG 4FU 16 HAG 4FU 16 6.802 7.773 -1.407
72 H12 4FU 16 HAH 4FU 16 5.692 8.746 -2.401
73 HAL 4FU 16 HAL 4FU 16 7.454 10.421 -2.753
74 HAK 4FU 16 HAK 4FU 16 8.007 8.819 -3.292
75 H14 4FU 16 HAN 4FU 16 9.756 9.969 -1.988
76 H GLY 17 HN GLY 17 9.005 9.031 1.865
77 HA2 GLY 17 HA2 GLY 17 11.768 9.913 2.190
78 HA3 GLY 17 HA1 GLY 17 10.645 10.485 3.420
79 H VAL 18 HN VAL 18 10.349 7.370 1.823
80 HA VAL 18 HA VAL 18 11.204 5.990 4.285
81 HB VAL 18 HB VAL 18 9.356 4.431 3.889
82 HG11 VAL 18 HG11 VAL 18 8.986 6.304 5.416
83 HG12 VAL 18 HG12 VAL 18 7.509 5.982 4.509
84 HG13 VAL 18 HG13 VAL 18 8.542 7.339 4.058
85 HG21 VAL 18 HG21 VAL 18 7.575 5.105 2.265
86 HG22 VAL 18 HG22 VAL 18 9.096 4.669 1.488
87 HG23 VAL 18 HG23 VAL 18 8.656 6.367 1.677
88 H THR 19 HN THR 19 11.842 3.759 3.926
89 HA THR 19 HA THR 19 12.577 3.050 1.153
90 HB THR 19 HB THR 19 14.561 4.136 2.172
91 HG1 THR 19 HG1 THR 19 15.023 2.499 0.782
92 HG21 THR 19 HG21 THR 19 15.554 3.399 4.170
93 HG22 THR 19 HG22 THR 19 14.664 1.879 4.161
94 HG23 THR 19 HG23 THR 19 13.834 3.385 4.551
95 H ILE 20 HN ILE 20 11.830 1.037 0.762
96 HA ILE 20 HA ILE 20 12.081 -1.044 2.750
97 HB ILE 20 HB ILE 20 9.723 -1.652 2.665
98 HG12 ILE 20 HG12 ILE 20 9.084 -0.618 0.549
99 HG13 ILE 20 HG11 ILE 20 8.030 -0.068 1.844
100 HG21 ILE 20 HG21 ILE 20 9.991 1.187 3.642
101 HG22 ILE 20 HG22 ILE 20 10.679 -0.198 4.489
102 HG23 ILE 20 HG23 ILE 20 8.935 -0.073 4.275
103 HD11 ILE 20 HD11 ILE 20 9.838 1.907 1.978
104 HD12 ILE 20 HD12 ILE 20 8.491 1.956 0.847
105 HD13 ILE 20 HD13 ILE 20 10.081 1.445 0.292
106 H ARG 21 HN ARG 21 11.185 -3.152 1.862
107 HA ARG 21 HA ARG 21 10.883 -3.373 -0.968
108 HB2 ARG 21 HB2 ARG 21 13.292 -3.042 -0.850
109 HB3 ARG 21 HB1 ARG 21 13.424 -4.308 0.360
110 HG2 ARG 21 HG2 ARG 21 14.111 -5.090 -1.859
111 HG3 ARG 21 HG1 ARG 21 12.733 -5.985 -1.271
112 HD2 ARG 21 HD2 ARG 21 12.512 -5.380 -3.664
113 HD3 ARG 21 HD1 ARG 21 11.237 -4.650 -2.715
114 HE ARG 21 HE ARG 21 13.392 -2.842 -2.880
115 HH11 ARG 21 HH21 ARG 21 11.052 -4.433 -4.868
116 HH12 ARG 21 HH22 ARG 21 10.845 -3.095 -5.948
117 HH21 ARG 21 HH11 ARG 21 13.086 -1.057 -4.272
118 HH22 ARG 21 HH12 ARG 21 12.000 -1.188 -5.614
119 H GLU 22 HN GLU 22 10.759 -5.758 -1.597
120 HA GLU 22 HA GLU 22 9.195 -7.147 0.411
121 HB2 GLU 22 HB2 GLU 22 8.679 -8.707 -1.466
122 HB3 GLU 22 HB1 GLU 22 8.332 -7.028 -1.885
123 HG2 GLU 22 HG2 GLU 22 10.510 -6.867 -3.037
124 HG3 GLU 22 HG1 GLU 22 10.851 -8.546 -2.635
125 H LYS 23 HN LYS 23 11.827 -7.010 1.232
126 HA LYS 23 HA LYS 23 13.687 -8.849 0.563
127 HB2 LYS 23 HB2 LYS 23 14.341 -9.113 2.894
128 HB3 LYS 23 HB1 LYS 23 14.018 -7.440 2.553
129 HG2 LYS 23 HG2 LYS 23 12.131 -9.372 3.929
130 HG3 LYS 23 HG1 LYS 23 13.107 -8.174 4.744
131 HD2 LYS 23 HD2 LYS 23 10.813 -7.577 2.840
132 HD3 LYS 23 HD1 LYS 23 10.744 -7.499 4.581
133 HE2 LYS 23 HE2 LYS 23 11.006 -5.246 3.728
134 HE3 LYS 23 HE1 LYS 23 12.483 -5.713 4.555
135 HZ1 LYS 23 HZ1 LYS 23 12.552 -6.362 1.775
136 HZ2 LYS 23 HZ2 LYS 23 13.653 -5.460 2.708
137 HZ3 LYS 23 HZ3 LYS 23 12.289 -4.711 2.033
138 HN1 NH2 24 H1 NH2 24 10.539 -9.655 1.945
139 HN2 NH2 24 H2 NH2 24 10.770 -11.338 1.909
Start of MODEL 8
1 HN1 NH2 9 H1 NH2 9 17.944 -9.547 -0.357
2 HN2 NH2 9 H2 NH2 9 18.252 -10.381 -1.804
3 H GLN 10 HN GLN 10 15.665 -6.694 -2.332
4 HA GLN 10 HA GLN 10 18.342 -6.637 -1.057
5 HB2 GLN 10 HB2 GLN 10 15.877 -8.138 -0.131
6 HB3 GLN 10 HB1 GLN 10 17.452 -8.129 0.660
7 HG2 GLN 10 HG2 GLN 10 16.045 -6.565 1.832
8 HG3 GLN 10 HG1 GLN 10 17.228 -5.640 0.919
9 HE21 GLN 10 HE21 GLN 10 14.842 -6.948 -1.177
10 HE22 GLN 10 HE22 GLN 10 13.857 -5.566 -1.289
11 H LYS 11 HN LYS 11 15.273 -2.371 -3.277
12 HA LYS 11 HA LYS 11 14.910 -4.627 -2.973
13 HB2 LYS 11 HB2 LYS 11 15.771 -6.021 -4.808
14 HB3 LYS 11 HB1 LYS 11 15.115 -4.485 -5.363
15 HG2 LYS 11 HG2 LYS 11 17.329 -3.556 -5.637
16 HG3 LYS 11 HG1 LYS 11 18.066 -4.965 -4.886
17 HD2 LYS 11 HD2 LYS 11 18.335 -5.022 -7.323
18 HD3 LYS 11 HD1 LYS 11 17.317 -6.349 -6.787
19 HE2 LYS 11 HE2 LYS 11 16.280 -3.741 -7.940
20 HE3 LYS 11 HE1 LYS 11 16.466 -5.235 -8.853
21 HZ1 LYS 11 HZ1 LYS 11 15.042 -5.890 -6.582
22 HZ2 LYS 11 HZ2 LYS 11 14.454 -5.786 -8.173
23 HZ3 LYS 11 HZ3 LYS 11 14.362 -4.439 -7.141
24 H PHE 12 HN PHE 12 15.270 -0.864 -2.568
25 HA PHE 12 HA PHE 12 17.472 -0.448 -4.392
26 HB2 PHE 12 HB2 PHE 12 19.147 -0.736 -2.509
27 HB3 PHE 12 HB1 PHE 12 18.311 0.821 -2.563
28 HD1 PHE 12 HD1 PHE 12 17.891 -2.639 -1.078
29 HD2 PHE 12 HD2 PHE 12 17.214 1.581 -0.673
30 HE1 PHE 12 HE1 PHE 12 16.782 -3.021 1.094
31 HE2 PHE 12 HE2 PHE 12 16.144 1.188 1.511
32 HZ PHE 12 HZ PHE 12 15.914 -1.096 2.400
33 H ILE 13 HN ILE 13 14.473 3.374 -3.397
34 HA ILE 13 HA ILE 13 13.923 0.867 -1.992
35 HB ILE 13 HB ILE 13 13.193 -0.264 -4.010
36 HG12 ILE 13 HG12 ILE 13 14.255 1.179 -5.694
37 HG13 ILE 13 HG11 ILE 13 12.542 0.979 -6.021
38 HG21 ILE 13 HG21 ILE 13 10.930 0.621 -4.081
39 HG22 ILE 13 HG22 ILE 13 11.485 2.166 -3.440
40 HG23 ILE 13 HG23 ILE 13 11.543 0.723 -2.430
41 HD11 ILE 13 HD11 ILE 13 14.054 3.418 -5.261
42 HD12 ILE 13 HD12 ILE 13 12.455 3.257 -4.533
43 HD13 ILE 13 HD13 ILE 13 12.634 3.246 -6.281
44 H ARG 14 HN ARG 14 11.482 5.432 -0.656
45 HA ARG 14 HA ARG 14 13.471 5.224 -2.768
46 HB2 ARG 14 HB2 ARG 14 13.716 5.138 0.229
47 HB3 ARG 14 HB1 ARG 14 15.072 4.895 -0.858
48 HG2 ARG 14 HG2 ARG 14 14.977 7.227 -0.080
49 HG3 ARG 14 HG1 ARG 14 14.719 7.131 -1.814
50 HD2 ARG 14 HD2 ARG 14 12.314 7.415 -1.504
51 HD3 ARG 14 HD1 ARG 14 12.503 7.379 0.248
52 HE ARG 14 HE ARG 14 13.037 9.610 0.092
53 HH11 ARG 14 HH21 ARG 14 13.644 8.059 -2.942
54 HH12 ARG 14 HH22 ARG 14 14.188 9.505 -3.724
55 HH21 ARG 14 HH11 ARG 14 13.740 11.506 -0.931
56 HH22 ARG 14 HH12 ARG 14 14.241 11.453 -2.589
57 H VAL 15 HN VAL 15 9.401 7.826 -3.134
58 HA VAL 15 HA VAL 15 9.328 5.593 -1.174
59 HB VAL 15 HB VAL 15 8.588 4.198 -3.060
60 HG11 VAL 15 HG11 VAL 15 6.860 6.674 -2.981
61 HG12 VAL 15 HG12 VAL 15 7.016 5.615 -1.579
62 HG13 VAL 15 HG13 VAL 15 6.354 4.989 -3.089
63 HG21 VAL 15 HG21 VAL 15 9.132 6.730 -4.588
64 HG22 VAL 15 HG22 VAL 15 7.757 5.755 -5.102
65 HG23 VAL 15 HG23 VAL 15 9.369 5.053 -5.080
66 H8 4FU 16 HAM 4FU 16 8.746 11.404 -0.220
67 H9 4FU 16 HAI 4FU 16 7.602 8.732 0.671
68 HAI 4FU 16 HAJ 4FU 16 7.300 10.305 1.443
69 H112 4FU 16 HAE 4FU 16 6.304 11.162 -0.636
70 H111 4FU 16 HAF 4FU 16 5.461 9.697 -0.078
71 HAG 4FU 16 HAG 4FU 16 6.763 8.332 -1.668
72 H12 4FU 16 HAH 4FU 16 5.889 9.632 -2.512
73 HAL 4FU 16 HAL 4FU 16 7.929 11.007 -2.522
74 HAK 4FU 16 HAK 4FU 16 8.227 9.446 -3.318
75 H14 4FU 16 HAN 4FU 16 10.072 10.033 -1.789
76 H GLY 17 HN GLY 17 8.985 8.547 1.755
77 HA2 GLY 17 HA2 GLY 17 11.817 8.937 2.354
78 HA3 GLY 17 HA1 GLY 17 10.700 9.384 3.640
79 H VAL 18 HN VAL 18 10.345 6.709 1.336
80 HA VAL 18 HA VAL 18 10.395 4.816 3.627
81 HB VAL 18 HB VAL 18 9.077 4.542 0.912
82 HG11 VAL 18 HG11 VAL 18 9.741 2.370 1.705
83 HG12 VAL 18 HG12 VAL 18 8.021 2.538 2.054
84 HG13 VAL 18 HG13 VAL 18 9.206 2.741 3.343
85 HG21 VAL 18 HG21 VAL 18 7.780 4.788 3.636
86 HG22 VAL 18 HG22 VAL 18 7.002 4.880 2.056
87 HG23 VAL 18 HG23 VAL 18 8.065 6.181 2.592
88 H THR 19 HN THR 19 12.287 3.812 3.767
89 HA THR 19 HA THR 19 13.724 3.018 1.282
90 HB THR 19 HB THR 19 15.763 3.095 2.681
91 HG1 THR 19 HG1 THR 19 15.642 3.637 4.787
92 HG21 THR 19 HG21 THR 19 14.003 5.523 2.506
93 HG22 THR 19 HG22 THR 19 15.518 5.178 1.667
94 HG23 THR 19 HG23 THR 19 15.535 5.625 3.370
95 H ILE 20 HN ILE 20 12.542 1.000 1.159
96 HA ILE 20 HA ILE 20 13.668 -1.276 2.067
97 HB ILE 20 HB ILE 20 13.202 -0.596 4.360
98 HG12 ILE 20 HG12 ILE 20 13.086 -3.002 3.851
99 HG13 ILE 20 HG11 ILE 20 12.091 -2.542 5.217
100 HG21 ILE 20 HG21 ILE 20 10.265 -0.662 3.703
101 HG22 ILE 20 HG22 ILE 20 11.215 0.821 3.739
102 HG23 ILE 20 HG23 ILE 20 11.027 -0.141 5.204
103 HD11 ILE 20 HD11 ILE 20 11.302 -3.653 2.582
104 HD12 ILE 20 HD12 ILE 20 10.239 -2.401 3.225
105 HD13 ILE 20 HD13 ILE 20 10.556 -3.853 4.158
106 H ARG 21 HN ARG 21 12.922 -2.803 0.769
107 HA ARG 21 HA ARG 21 10.146 -3.292 0.460
108 HB2 ARG 21 HB2 ARG 21 9.971 -3.036 -1.983
109 HB3 ARG 21 HB1 ARG 21 10.139 -1.513 -1.145
110 HG2 ARG 21 HG2 ARG 21 11.404 -1.502 -3.194
111 HG3 ARG 21 HG1 ARG 21 12.518 -1.471 -1.831
112 HD2 ARG 21 HD2 ARG 21 13.004 -3.786 -2.076
113 HD3 ARG 21 HD1 ARG 21 11.710 -4.013 -3.242
114 HE ARG 21 HE ARG 21 14.316 -3.112 -3.733
115 HH11 ARG 21 HH21 ARG 21 11.037 -2.708 -4.678
116 HH12 ARG 21 HH22 ARG 21 11.418 -2.087 -6.249
117 HH21 ARG 21 HH11 ARG 21 14.848 -2.306 -5.794
118 HH22 ARG 21 HH12 ARG 21 13.576 -1.859 -6.880
119 H GLU 22 HN GLU 22 9.836 -5.066 -1.323
120 HA GLU 22 HA GLU 22 10.143 -7.406 -1.248
121 HB2 GLU 22 HB2 GLU 22 12.272 -6.269 -3.078
122 HB3 GLU 22 HB1 GLU 22 11.698 -7.935 -3.118
123 HG2 GLU 22 HG2 GLU 22 9.973 -5.474 -3.557
124 HG3 GLU 22 HG1 GLU 22 10.552 -6.553 -4.822
125 H LYS 23 HN LYS 23 11.298 -6.595 1.109
126 HA LYS 23 HA LYS 23 14.016 -7.559 1.228
127 HB2 LYS 23 HB2 LYS 23 13.782 -7.127 3.683
128 HB3 LYS 23 HB1 LYS 23 13.510 -5.744 2.651
129 HG2 LYS 23 HG2 LYS 23 11.846 -5.794 4.447
130 HG3 LYS 23 HG1 LYS 23 11.079 -5.990 2.888
131 HD2 LYS 23 HD2 LYS 23 10.081 -7.453 4.586
132 HD3 LYS 23 HD1 LYS 23 10.805 -8.406 3.318
133 HE2 LYS 23 HE2 LYS 23 12.794 -8.788 4.766
134 HE3 LYS 23 HE1 LYS 23 12.052 -7.799 6.019
135 HZ1 LYS 23 HZ1 LYS 23 11.436 -9.899 6.640
136 HZ2 LYS 23 HZ2 LYS 23 11.301 -10.466 5.044
137 HZ3 LYS 23 HZ3 LYS 23 10.100 -9.455 5.694
138 HN1 NH2 24 H1 NH2 24 11.149 -9.240 1.032
139 HN2 NH2 24 H2 NH2 24 11.647 -10.660 1.818
Start of MODEL 9
1 HN1 NH2 9 H1 NH2 9 16.591 -8.580 -1.315
2 HN2 NH2 9 H2 NH2 9 17.835 -9.691 -0.999
3 H GLN 10 HN GLN 10 15.802 -6.222 -1.238
4 HA GLN 10 HA GLN 10 18.125 -5.859 0.425
5 HB2 GLN 10 HB2 GLN 10 15.837 -5.663 1.245
6 HB3 GLN 10 HB1 GLN 10 15.504 -7.317 0.765
7 HG2 GLN 10 HG2 GLN 10 15.940 -7.230 3.125
8 HG3 GLN 10 HG1 GLN 10 17.227 -8.100 2.324
9 HE21 GLN 10 HE21 GLN 10 17.544 -4.760 1.728
10 HE22 GLN 10 HE22 GLN 10 18.675 -4.410 2.944
11 H LYS 11 HN LYS 11 17.702 -3.229 -4.055
12 HA LYS 11 HA LYS 11 15.778 -5.257 -3.211
13 HB2 LYS 11 HB2 LYS 11 17.222 -6.833 -4.369
14 HB3 LYS 11 HB1 LYS 11 16.740 -5.513 -5.427
15 HG2 LYS 11 HG2 LYS 11 18.939 -4.398 -4.902
16 HG3 LYS 11 HG1 LYS 11 19.407 -5.837 -4.015
17 HD2 LYS 11 HD2 LYS 11 18.753 -5.715 -6.971
18 HD3 LYS 11 HD1 LYS 11 20.360 -5.852 -6.277
19 HE2 LYS 11 HE2 LYS 11 19.641 -8.042 -7.040
20 HE3 LYS 11 HE1 LYS 11 19.699 -8.049 -5.281
21 HZ1 LYS 11 HZ1 LYS 11 17.553 -8.690 -6.903
22 HZ2 LYS 11 HZ2 LYS 11 17.151 -7.214 -6.165
23 HZ3 LYS 11 HZ3 LYS 11 17.564 -8.559 -5.212
24 H PHE 12 HN PHE 12 14.439 -0.557 -2.491
25 HA PHE 12 HA PHE 12 16.814 -1.115 -4.203
26 HB2 PHE 12 HB2 PHE 12 18.151 -1.013 -2.164
27 HB3 PHE 12 HB1 PHE 12 17.223 0.481 -2.321
28 HD1 PHE 12 HD1 PHE 12 17.191 -2.883 -0.711
29 HD2 PHE 12 HD2 PHE 12 15.678 1.131 -0.648
30 HE1 PHE 12 HE1 PHE 12 15.989 -3.366 1.390
31 HE2 PHE 12 HE2 PHE 12 14.487 0.612 1.473
32 HZ PHE 12 HZ PHE 12 14.605 -1.603 2.460
33 H ILE 13 HN ILE 13 13.787 2.832 -4.536
34 HA ILE 13 HA ILE 13 12.610 0.287 -3.565
35 HB ILE 13 HB ILE 13 13.141 1.272 -6.391
36 HG12 ILE 13 HG12 ILE 13 10.542 0.958 -4.845
37 HG13 ILE 13 HG11 ILE 13 11.327 2.494 -5.208
38 HG21 ILE 13 HG21 ILE 13 13.225 -1.217 -6.130
39 HG22 ILE 13 HG22 ILE 13 11.846 -0.695 -7.091
40 HG23 ILE 13 HG23 ILE 13 11.616 -1.169 -5.410
41 HD11 ILE 13 HD11 ILE 13 11.113 2.013 -7.636
42 HD12 ILE 13 HD12 ILE 13 9.542 2.050 -6.838
43 HD13 ILE 13 HD13 ILE 13 10.283 0.505 -7.253
44 H ARG 14 HN ARG 14 12.360 5.071 -0.779
45 HA ARG 14 HA ARG 14 13.309 4.655 -3.412
46 HB2 ARG 14 HB2 ARG 14 14.727 5.436 -1.566
47 HB3 ARG 14 HB1 ARG 14 14.545 3.881 -0.765
48 HG2 ARG 14 HG2 ARG 14 15.618 2.753 -2.664
49 HG3 ARG 14 HG1 ARG 14 15.776 4.302 -3.498
50 HD2 ARG 14 HD2 ARG 14 17.873 3.754 -2.363
51 HD3 ARG 14 HD1 ARG 14 17.118 5.160 -1.615
52 HE ARG 14 HE ARG 14 16.258 2.855 -0.246
53 HH11 ARG 14 HH21 ARG 14 19.092 4.751 -0.835
54 HH12 ARG 14 HH22 ARG 14 19.840 4.354 0.675
55 HH21 ARG 14 HH11 ARG 14 17.231 2.333 1.739
56 HH22 ARG 14 HH12 ARG 14 18.787 2.984 2.133
57 H VAL 15 HN VAL 15 9.674 7.201 -2.451
58 HA VAL 15 HA VAL 15 10.129 5.246 -0.257
59 HB VAL 15 HB VAL 15 8.263 4.961 -2.623
60 HG11 VAL 15 HG11 VAL 15 9.227 2.824 -2.120
61 HG12 VAL 15 HG12 VAL 15 7.637 2.841 -1.358
62 HG13 VAL 15 HG13 VAL 15 9.085 3.096 -0.384
63 HG21 VAL 15 HG21 VAL 15 6.472 5.157 -1.081
64 HG22 VAL 15 HG22 VAL 15 7.576 6.447 -0.612
65 HG23 VAL 15 HG23 VAL 15 7.532 4.947 0.312
66 H8 4FU 16 HAM 4FU 16 11.860 9.633 -0.774
67 H9 4FU 16 HAI 4FU 16 11.637 12.052 -0.386
68 HAI 4FU 16 HAJ 4FU 16 10.818 11.561 -1.887
69 H112 4FU 16 HAE 4FU 16 9.410 13.111 -0.578
70 H111 4FU 16 HAF 4FU 16 9.472 11.991 0.804
71 HAG 4FU 16 HAG 4FU 16 7.386 11.688 -0.498
72 H12 4FU 16 HAH 4FU 16 8.353 11.371 -1.956
73 HAL 4FU 16 HAL 4FU 16 7.615 9.269 -0.938
74 HAK 4FU 16 HAK 4FU 16 8.365 9.716 0.606
75 H14 4FU 16 HAN 4FU 16 9.786 9.316 -2.054
76 H GLY 17 HN GLY 17 12.879 9.535 1.142
77 HA2 GLY 17 HA2 GLY 17 13.183 9.989 3.456
78 HA3 GLY 17 HA1 GLY 17 11.438 10.092 3.661
79 H VAL 18 HN VAL 18 10.265 7.963 3.128
80 HA VAL 18 HA VAL 18 11.505 5.857 4.694
81 HB VAL 18 HB VAL 18 9.282 4.831 4.528
82 HG11 VAL 18 HG11 VAL 18 9.291 7.780 5.203
83 HG12 VAL 18 HG12 VAL 18 9.638 6.449 6.307
84 HG13 VAL 18 HG13 VAL 18 8.008 6.661 5.666
85 HG21 VAL 18 HG21 VAL 18 7.463 6.111 3.388
86 HG22 VAL 18 HG22 VAL 18 8.681 5.510 2.265
87 HG23 VAL 18 HG23 VAL 18 8.687 7.206 2.745
88 H THR 19 HN THR 19 11.114 3.547 3.815
89 HA THR 19 HA THR 19 11.059 3.224 0.972
90 HB THR 19 HB THR 19 13.304 4.114 1.188
91 HG1 THR 19 HG1 THR 19 12.663 1.679 0.259
92 HG21 THR 19 HG21 THR 19 13.629 1.895 3.214
93 HG22 THR 19 HG22 THR 19 13.905 3.622 3.431
94 HG23 THR 19 HG23 THR 19 15.006 2.674 2.435
95 H ILE 20 HN ILE 20 11.822 0.758 0.461
96 HA ILE 20 HA ILE 20 10.854 -0.948 2.684
97 HB ILE 20 HB ILE 20 9.940 -1.077 -0.197
98 HG12 ILE 20 HG12 ILE 20 8.879 0.768 1.059
99 HG13 ILE 20 HG11 ILE 20 7.720 -0.497 0.677
100 HG21 ILE 20 HG21 ILE 20 8.315 -2.798 0.859
101 HG22 ILE 20 HG22 ILE 20 9.484 -2.874 2.176
102 HG23 ILE 20 HG23 ILE 20 9.972 -3.301 0.538
103 HD11 ILE 20 HD11 ILE 20 7.161 -0.398 2.866
104 HD12 ILE 20 HD12 ILE 20 8.625 0.469 3.297
105 HD13 ILE 20 HD13 ILE 20 8.646 -1.286 3.178
106 H ARG 21 HN ARG 21 11.392 -3.121 2.680
107 HA ARG 21 HA ARG 21 13.784 -3.779 1.089
108 HB2 ARG 21 HB2 ARG 21 14.386 -5.332 2.921
109 HB3 ARG 21 HB1 ARG 21 14.285 -3.671 3.458
110 HG2 ARG 21 HG2 ARG 21 13.276 -5.132 5.119
111 HG3 ARG 21 HG1 ARG 21 12.016 -4.153 4.380
112 HD2 ARG 21 HD2 ARG 21 11.392 -6.545 4.657
113 HD3 ARG 21 HD1 ARG 21 11.298 -6.034 2.999
114 HE ARG 21 HE ARG 21 13.021 -7.568 2.519
115 HH11 ARG 21 HH21 ARG 21 12.945 -6.729 5.890
116 HH12 ARG 21 HH22 ARG 21 14.154 -7.880 6.348
117 HH21 ARG 21 HH11 ARG 21 14.581 -9.113 3.141
118 HH22 ARG 21 HH12 ARG 21 15.073 -9.231 4.797
119 H GLU 22 HN GLU 22 14.073 -6.350 1.159
120 HA GLU 22 HA GLU 22 13.402 -8.387 0.316
121 HB2 GLU 22 HB2 GLU 22 11.466 -8.260 1.934
122 HB3 GLU 22 HB1 GLU 22 10.540 -7.417 0.710
123 HG2 GLU 22 HG2 GLU 22 11.676 -10.206 0.401
124 HG3 GLU 22 HG1 GLU 22 10.008 -9.837 0.812
125 H LYS 23 HN LYS 23 11.843 -5.475 -0.780
126 HA LYS 23 HA LYS 23 10.710 -5.198 -2.874
127 HB2 LYS 23 HB2 LYS 23 12.605 -3.723 -2.230
128 HB3 LYS 23 HB1 LYS 23 13.660 -4.747 -3.155
129 HG2 LYS 23 HG2 LYS 23 11.327 -3.192 -4.253
130 HG3 LYS 23 HG1 LYS 23 12.998 -2.705 -4.370
131 HD2 LYS 23 HD2 LYS 23 11.728 -5.098 -5.758
132 HD3 LYS 23 HD1 LYS 23 12.221 -3.602 -6.497
133 HE2 LYS 23 HE2 LYS 23 14.136 -5.551 -5.180
134 HE3 LYS 23 HE1 LYS 23 13.892 -5.362 -6.904
135 HZ1 LYS 23 HZ1 LYS 23 15.676 -4.009 -6.530
136 HZ2 LYS 23 HZ2 LYS 23 15.142 -3.516 -4.994
137 HZ3 LYS 23 HZ3 LYS 23 14.404 -2.896 -6.394
138 HN1 NH2 24 H1 NH2 24 9.932 -6.592 -4.433
139 HN2 NH2 24 H2 NH2 24 10.873 -7.714 -5.292
Start of MODEL 10
1 HN1 NH2 9 H1 NH2 9 21.269 -6.747 1.052
2 HN2 NH2 9 H2 NH2 9 20.929 -8.232 0.302
3 H GLN 10 HN GLN 10 18.322 -5.322 -1.784
4 HA GLN 10 HA GLN 10 20.354 -4.707 -0.037
5 HB2 GLN 10 HB2 GLN 10 19.410 -5.571 2.150
6 HB3 GLN 10 HB1 GLN 10 18.837 -3.981 1.674
7 HG2 GLN 10 HG2 GLN 10 16.975 -5.372 2.469
8 HG3 GLN 10 HG1 GLN 10 16.789 -4.989 0.772
9 HE21 GLN 10 HE21 GLN 10 16.046 -6.820 -0.396
10 HE22 GLN 10 HE22 GLN 10 16.503 -8.417 -0.050
11 H LYS 11 HN LYS 11 17.339 -1.156 -1.564
12 HA LYS 11 HA LYS 11 16.115 -3.623 -1.981
13 HB2 LYS 11 HB2 LYS 11 17.752 -4.819 -3.347
14 HB3 LYS 11 HB1 LYS 11 17.052 -3.499 -4.269
15 HG2 LYS 11 HG2 LYS 11 19.011 -2.097 -3.798
16 HG3 LYS 11 HG1 LYS 11 19.724 -3.393 -2.835
17 HD2 LYS 11 HD2 LYS 11 19.694 -4.873 -4.802
18 HD3 LYS 11 HD1 LYS 11 19.020 -3.561 -5.769
19 HE2 LYS 11 HE2 LYS 11 21.011 -2.195 -5.339
20 HE3 LYS 11 HE1 LYS 11 21.685 -3.479 -4.330
21 HZ1 LYS 11 HZ1 LYS 11 22.631 -3.886 -6.371
22 HZ2 LYS 11 HZ2 LYS 11 21.233 -3.451 -7.235
23 HZ3 LYS 11 HZ3 LYS 11 21.288 -4.923 -6.385
24 H PHE 12 HN PHE 12 14.026 0.898 -2.500
25 HA PHE 12 HA PHE 12 16.617 0.816 -3.793
26 HB2 PHE 12 HB2 PHE 12 17.439 0.533 -1.482
27 HB3 PHE 12 HB1 PHE 12 16.350 1.901 -1.620
28 HD1 PHE 12 HD2 PHE 12 14.091 -0.800 -1.851
29 HD2 PHE 12 HD1 PHE 12 16.694 1.103 1.019
30 HE1 PHE 12 HE2 PHE 12 12.717 -1.623 -0.064
31 HE2 PHE 12 HE1 PHE 12 15.248 0.225 2.834
32 HZ PHE 12 HZ PHE 12 13.233 -1.120 2.275
33 H ILE 13 HN ILE 13 12.559 3.057 -5.359
34 HA ILE 13 HA ILE 13 12.130 0.736 -3.587
35 HB ILE 13 HB ILE 13 10.808 0.637 -5.640
36 HG12 ILE 13 HG12 ILE 13 11.602 -1.557 -6.463
37 HG13 ILE 13 HG11 ILE 13 13.151 -1.304 -5.672
38 HG21 ILE 13 HG21 ILE 13 12.731 1.993 -6.927
39 HG22 ILE 13 HG22 ILE 13 11.654 0.905 -7.791
40 HG23 ILE 13 HG23 ILE 13 13.272 0.371 -7.349
41 HD11 ILE 13 HD11 ILE 13 11.265 -2.707 -4.472
42 HD12 ILE 13 HD12 ILE 13 10.634 -1.120 -4.033
43 HD13 ILE 13 HD13 ILE 13 12.260 -1.593 -3.537
44 H ARG 14 HN ARG 14 11.169 5.904 -2.041
45 HA ARG 14 HA ARG 14 10.506 4.869 -3.961
46 HB2 ARG 14 HB2 ARG 14 13.397 4.985 -4.838
47 HB3 ARG 14 HB1 ARG 14 12.016 4.622 -5.847
48 HG2 ARG 14 HG2 ARG 14 12.508 7.264 -4.460
49 HG3 ARG 14 HG1 ARG 14 12.775 6.944 -6.161
50 HD2 ARG 14 HD2 ARG 14 10.094 6.859 -4.736
51 HD3 ARG 14 HD1 ARG 14 10.648 8.091 -5.848
52 HE ARG 14 HE ARG 14 10.824 5.632 -7.177
53 HH11 ARG 14 HH21 ARG 14 8.473 7.761 -5.797
54 HH12 ARG 14 HH22 ARG 14 7.216 7.314 -6.901
55 HH21 ARG 14 HH11 ARG 14 9.181 5.039 -8.630
56 HH22 ARG 14 HH12 ARG 14 7.617 5.772 -8.504
57 H VAL 15 HN VAL 15 15.392 6.244 -1.024
58 HA VAL 15 HA VAL 15 12.719 6.170 -0.109
59 HB VAL 15 HB VAL 15 12.877 8.611 -0.209
60 HG11 VAL 15 HG11 VAL 15 14.490 9.260 -1.730
61 HG12 VAL 15 HG12 VAL 15 13.056 9.507 -2.722
62 HG13 VAL 15 HG13 VAL 15 14.026 8.051 -2.920
63 HG21 VAL 15 HG21 VAL 15 11.249 7.817 -2.614
64 HG22 VAL 15 HG22 VAL 15 10.875 8.994 -1.363
65 HG23 VAL 15 HG23 VAL 15 10.793 7.273 -1.000
66 H8 4FU 16 HAM 4FU 16 16.556 5.214 1.703
67 H9 4FU 16 HAI 4FU 16 18.495 5.474 3.202
68 HAI 4FU 16 HAJ 4FU 16 18.881 5.969 1.539
69 H112 4FU 16 HAE 4FU 16 19.787 7.592 3.137
70 H111 4FU 16 HAF 4FU 16 18.170 7.831 3.835
71 HAG 4FU 16 HAG 4FU 16 18.701 9.624 2.224
72 H12 4FU 16 HAH 4FU 16 18.998 8.403 0.965
73 HAL 4FU 16 HAL 4FU 16 16.739 9.370 0.760
74 HAK 4FU 16 HAK 4FU 16 16.358 8.858 2.420
75 H14 4FU 16 HAN 4FU 16 17.124 7.017 0.122
76 H GLY 17 HN GLY 17 14.314 6.155 2.336
77 HA2 GLY 17 HA2 GLY 17 14.214 6.270 5.243
78 HA3 GLY 17 HA1 GLY 17 13.596 7.703 4.418
79 H VAL 18 HN VAL 18 12.072 7.117 2.502
80 HA VAL 18 HA VAL 18 10.065 5.201 3.530
81 HB VAL 18 HB VAL 18 9.820 7.372 1.427
82 HG11 VAL 18 HG11 VAL 18 7.340 6.912 1.854
83 HG12 VAL 18 HG12 VAL 18 7.855 5.433 2.666
84 HG13 VAL 18 HG13 VAL 18 8.212 5.670 0.955
85 HG21 VAL 18 HG21 VAL 18 10.172 8.205 3.755
86 HG22 VAL 18 HG22 VAL 18 8.781 7.256 4.277
87 HG23 VAL 18 HG23 VAL 18 8.564 8.586 3.141
88 H THR 19 HN THR 19 10.947 3.282 2.798
89 HA THR 19 HA THR 19 10.881 2.869 -0.134
90 HB THR 19 HB THR 19 12.861 1.436 0.064
91 HG1 THR 19 HG1 THR 19 13.492 2.410 2.560
92 HG21 THR 19 HG21 THR 19 14.522 3.236 0.575
93 HG22 THR 19 HG22 THR 19 13.195 4.233 1.171
94 HG23 THR 19 HG23 THR 19 13.246 3.753 -0.525
95 H ILE 20 HN ILE 20 10.742 0.517 -0.682
96 HA ILE 20 HA ILE 20 9.630 -1.202 1.391
97 HB ILE 20 HB ILE 20 7.633 -1.697 0.090
98 HG12 ILE 20 HG12 ILE 20 8.424 -1.086 -2.149
99 HG13 ILE 20 HG11 ILE 20 6.925 -0.252 -1.767
100 HG21 ILE 20 HG21 ILE 20 7.635 0.027 1.899
101 HG22 ILE 20 HG22 ILE 20 6.373 0.266 0.691
102 HG23 ILE 20 HG23 ILE 20 7.829 1.260 0.652
103 HD11 ILE 20 HD11 ILE 20 9.673 0.850 -2.119
104 HD12 ILE 20 HD12 ILE 20 8.643 1.640 -0.926
105 HD13 ILE 20 HD13 ILE 20 8.123 1.524 -2.601
106 H ARG 21 HN ARG 21 9.555 -3.425 0.816
107 HA ARG 21 HA ARG 21 10.172 -4.438 -1.727
108 HB2 ARG 21 HB2 ARG 21 12.396 -5.235 -1.409
109 HB3 ARG 21 HB1 ARG 21 12.383 -3.485 -1.434
110 HG2 ARG 21 HG2 ARG 21 12.409 -3.494 1.056
111 HG3 ARG 21 HG1 ARG 21 12.491 -5.234 1.037
112 HD2 ARG 21 HD2 ARG 21 14.567 -3.411 -0.183
113 HD3 ARG 21 HD1 ARG 21 14.706 -4.199 1.379
114 HE ARG 21 HE ARG 21 15.310 -6.133 0.286
115 HH11 ARG 21 HH21 ARG 21 13.995 -3.959 -2.093
116 HH12 ARG 21 HH22 ARG 21 14.168 -5.091 -3.392
117 HH21 ARG 21 HH11 ARG 21 15.536 -7.577 -1.413
118 HH22 ARG 21 HH12 ARG 21 15.039 -7.125 -3.009
119 H GLU 22 HN GLU 22 11.542 -6.716 -1.296
120 HA GLU 22 HA GLU 22 9.711 -8.211 0.463
121 HB2 GLU 22 HB2 GLU 22 11.679 -9.198 -1.617
122 HB3 GLU 22 HB1 GLU 22 10.512 -10.195 -0.755
123 HG2 GLU 22 HG2 GLU 22 9.826 -7.916 -2.640
124 HG3 GLU 22 HG1 GLU 22 9.736 -9.625 -3.040
125 H LYS 23 HN LYS 23 12.714 -6.831 0.509
126 HA LYS 23 HA LYS 23 14.728 -7.308 1.570
127 HB2 LYS 23 HB2 LYS 23 14.441 -7.201 3.951
128 HB3 LYS 23 HB1 LYS 23 13.445 -6.003 3.135
129 HG2 LYS 23 HG2 LYS 23 11.491 -7.536 3.332
130 HG3 LYS 23 HG1 LYS 23 12.497 -8.673 4.226
131 HD2 LYS 23 HD2 LYS 23 11.874 -5.825 5.057
132 HD3 LYS 23 HD1 LYS 23 11.137 -7.270 5.739
133 HE2 LYS 23 HE2 LYS 23 13.378 -8.028 6.503
134 HE3 LYS 23 HE1 LYS 23 14.076 -6.539 5.874
135 HZ1 LYS 23 HZ1 LYS 23 11.827 -6.431 7.733
136 HZ2 LYS 23 HZ2 LYS 23 13.000 -5.254 7.381
137 HZ3 LYS 23 HZ3 LYS 23 13.413 -6.619 8.305
138 HN1 NH2 24 H1 NH2 24 13.717 -9.830 0.440
139 HN2 NH2 24 H2 NH2 24 14.232 -11.062 1.488