NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8733 |
1mqz   |
5580 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 HT1 CYS 1 4.153 6.784 -2.407
2 2H CYS 1 HT2 CYS 1 4.114 5.586 -1.209
3 3H CYS 1 HT3 CYS 1 3.796 7.197 -0.799
4 HA CYS 1 HA CYS 1 1.710 6.292 -0.854
5 1HB CYS 1 HB2 CYS 1 1.808 8.302 -2.214
6 2HB CYS 1 HB1 CYS 1 2.285 7.360 -3.623
7 1HN ABA 2 HN ABU 2 0.713 3.356 -2.503
8 HA ABA 2 HA ABU 2 -1.044 4.167 -1.324
9 2HB ABA 2 HB ABU 2 -0.645 6.853 -0.800
10 1HG ABA 2 HG21 ABU 2 -2.565 7.038 -1.939
11 2HG ABA 2 HG22 ABU 2 -2.487 5.279 -2.038
12 3HG ABA 2 HG23 ABU 2 -1.901 6.265 -3.379
13 H PHE 3 HN PHE 3 -1.658 4.485 0.777
14 HA PHE 3 HA PHE 3 -0.136 5.615 2.819
15 1HB PHE 3 HB2 PHE 3 -2.571 5.072 2.941
16 2HB PHE 3 HB1 PHE 3 -2.144 3.372 3.105
17 HD1 PHE 3 HD1 PHE 3 -2.452 2.613 5.240
18 HD2 PHE 3 HD2 PHE 3 -0.937 6.545 4.662
19 HE1 PHE 3 HE1 PHE 3 -2.266 2.897 7.678
20 HE2 PHE 3 HE2 PHE 3 -0.749 6.840 7.095
21 HZ PHE 3 HZ PHE 3 -1.416 5.013 8.608
22 1HN ABA 4 HN ABU 4 1.854 5.040 3.236
23 HA ABA 4 HA ABU 4 2.785 2.321 3.010
24 2HB ABA 4 HB ABU 4 2.175 1.941 5.212
25 1HG ABA 4 HG21 ABU 4 1.211 4.041 5.791
26 2HG ABA 4 HG22 ABU 4 2.784 4.838 5.773
27 3HG ABA 4 HG23 ABU 4 2.407 3.658 7.029
28 H LEU 5 HN LEU 5 4.877 3.743 5.126
29 HA LEU 5 HA LEU 5 5.910 5.825 3.543
30 1HB LEU 5 HB2 LEU 5 7.745 5.965 5.112
31 2HB LEU 5 HB1 LEU 5 6.201 5.843 5.924
32 HG LEU 5 HG LEU 5 6.883 3.269 6.037
33 1HD1 LEU 5 HD11 LEU 5 8.948 3.384 4.859
34 2HD1 LEU 5 HD12 LEU 5 9.333 3.162 6.566
35 3HD1 LEU 5 HD13 LEU 5 9.493 4.754 5.826
36 1HD2 LEU 5 HD21 LEU 5 6.933 3.700 8.222
37 2HD2 LEU 5 HD22 LEU 5 6.757 5.402 7.793
38 3HD2 LEU 5 HD23 LEU 5 8.361 4.721 8.066
39 HA PRO 6 HA PRO 6 9.441 2.670 2.286
40 1HB PRO 6 HB2 PRO 6 7.785 0.295 1.693
41 2HB PRO 6 HB1 PRO 6 9.371 0.397 2.463
42 1HG PRO 6 HG2 PRO 6 7.182 -0.177 3.880
43 2HG PRO 6 HG1 PRO 6 8.473 0.840 4.549
44 1HD PRO 6 HD2 PRO 6 5.828 1.646 3.403
45 2HD PRO 6 HD1 PRO 6 6.668 2.271 4.838
46 H GLY 7 HN GLY 7 10.032 2.206 0.122
47 1HA GLY 7 HA2 GLY 7 7.894 2.729 -1.858
48 2HA GLY 7 HA1 GLY 7 9.492 3.449 -1.991
49 H GLY 8 HN GLY 8 7.577 0.618 -2.470
50 1HA GLY 8 HA2 GLY 8 9.289 -0.461 -4.412
51 2HA GLY 8 HA1 GLY 8 9.598 -1.286 -2.891
52 H GLY 9 HN GLY 9 8.837 -3.253 -3.759
53 1HA GLY 9 HA2 GLY 9 6.022 -3.382 -4.538
54 2HA GLY 9 HA1 GLY 9 7.187 -4.698 -4.616
55 H GLY 10 HN GLY 10 8.165 -4.376 -1.942
56 1HA GLY 10 HA2 GLY 10 5.867 -5.489 -0.477
57 2HA GLY 10 HA1 GLY 10 7.560 -5.715 -0.043
58 H VAL 11 HN VAL 11 4.850 -3.524 -0.008
59 HA VAL 11 HA VAL 11 6.336 -1.765 1.834
60 HB VAL 11 HB VAL 11 4.940 0.111 0.993
61 1HG1 VAL 11 HG11 VAL 11 6.712 0.555 -0.262
62 2HG1 VAL 11 HG12 VAL 11 6.094 -0.506 -1.529
63 3HG1 VAL 11 HG13 VAL 11 7.142 -1.156 -0.269
64 1HG2 VAL 11 HG21 VAL 11 3.899 -0.276 -1.305
65 2HG2 VAL 11 HG22 VAL 11 3.029 -0.917 0.089
66 3HG2 VAL 11 HG23 VAL 11 3.982 -1.998 -0.928
67 H CYS 12 HN CYS 12 5.066 -0.463 3.172
68 HA CYS 12 HA CYS 12 3.185 -1.828 4.757
69 1HB CYS 12 HB2 CYS 12 4.350 -0.221 5.893
70 2HB CYS 12 HB1 CYS 12 4.385 0.875 4.531
71 1HN ABA 13 HN ABU 13 0.980 -1.810 4.696
72 HA ABA 13 HA ABU 13 -0.513 0.065 3.119
73 2HB ABA 13 HB ABU 13 -1.841 -2.489 3.810
74 1HG ABA 13 HG21 ABU 13 -0.461 -0.825 5.854
75 2HG ABA 13 HG22 ABU 13 -0.764 -2.563 5.823
76 3HG ABA 13 HG23 ABU 13 -2.067 -1.449 6.232
77 H LEU 14 HN LEU 14 0.629 -3.239 2.682
78 HA LEU 14 HA LEU 14 0.574 -2.946 -0.125
79 1HB LEU 14 HB2 LEU 14 2.290 -4.239 0.900
80 2HB LEU 14 HB1 LEU 14 1.120 -5.266 1.707
81 HG LEU 14 HG LEU 14 0.410 -6.117 -0.486
82 1HD1 LEU 14 HD11 LEU 14 1.163 -4.153 -1.803
83 2HD1 LEU 14 HD12 LEU 14 1.698 -5.698 -2.462
84 3HD1 LEU 14 HD13 LEU 14 2.828 -4.686 -1.564
85 1HD2 LEU 14 HD21 LEU 14 2.489 -6.897 1.047
86 2HD2 LEU 14 HD22 LEU 14 3.297 -6.664 -0.505
87 3HD2 LEU 14 HD23 LEU 14 1.930 -7.771 -0.378
88 1HN ABA 15 HN ABU 15 -1.515 -2.600 -0.786
89 HA ABA 15 HA ABU 15 -3.233 -4.994 -0.772
90 2HB ABA 15 HB ABU 15 -4.164 -4.019 -2.924
91 1HG ABA 15 HG21 ABU 15 -1.332 -4.990 -2.684
92 2HG ABA 15 HG22 ABU 15 -2.139 -4.790 -4.240
93 3HG ABA 15 HG23 ABU 15 -2.784 -5.920 -3.048
94 1HN DHA 16 HN DHA 16 -5.505 -4.621 -0.951
95 2HB DHA 16 HB1 DHA 16 -7.594 -3.397 -1.927
96 3HB DHA 16 HB2 DHA 16 -8.527 -2.433 -0.624
97 H GLU 17 HN GLU 17 -5.301 -3.764 1.867
98 HA GLU 17 HA GLU 17 -6.845 -2.515 3.845
99 1HB GLU 17 HB2 GLU 17 -5.157 -4.370 4.155
100 2HB GLU 17 HB1 GLU 17 -3.903 -3.144 4.047
101 1HG GLU 17 HG2 GLU 17 -4.309 -3.608 6.348
102 2HG GLU 17 HG1 GLU 17 -4.934 -1.998 5.994
103 H CYS 18 HN CYS 18 -4.182 -1.346 1.879
104 HA CYS 18 HA CYS 18 -4.684 1.326 2.958
105 1HB CYS 18 HB2 CYS 18 -1.897 0.431 2.380
106 2HB CYS 18 HB1 CYS 18 -2.407 1.888 3.195
107 H ILE 19 HN ILE 19 -2.083 0.276 0.809
108 HA ILE 19 HA ILE 19 -2.363 2.466 -0.780
109 HB ILE 19 HB ILE 19 -0.774 1.537 -2.310
110 1HG1 ILE 19 HG12 ILE 19 -1.179 -1.110 -0.916
111 2HG1 ILE 19 HG11 ILE 19 -1.767 -0.716 -2.528
112 1HG2 ILE 19 HG21 ILE 19 -0.177 2.205 0.097
113 2HG2 ILE 19 HG22 ILE 19 1.021 1.341 -0.869
114 3HG2 ILE 19 HG23 ILE 19 0.077 0.478 0.344
115 1HD1 ILE 19 HD11 ILE 19 0.702 -1.823 -1.819
116 2HD1 ILE 19 HD12 ILE 19 1.036 -0.180 -2.367
117 3HD1 ILE 19 HD13 ILE 19 0.170 -1.301 -3.418
118 1HN TEE 20 HN TEA 20 -3.815 -0.634 -1.144
119 HB2 TEE 20 HB2 TEA 20 -5.316 -2.554 -2.569
120 HA TEE 20 HA TEA 20 -5.278 -1.410 -2.497
Start of MODEL 2
1 1H CYS 1 HT1 CYS 1 3.922 7.790 -0.058
2 2H CYS 1 HT2 CYS 1 3.220 9.308 -0.323
3 3H CYS 1 HT3 CYS 1 4.057 8.529 -1.580
4 HA CYS 1 HA CYS 1 1.589 7.515 -0.303
5 1HB CYS 1 HB2 CYS 1 1.131 9.564 -1.525
6 2HB CYS 1 HB1 CYS 1 2.000 8.957 -2.931
7 1HN ABA 2 HN ABU 2 1.760 4.568 -2.217
8 HA ABA 2 HA ABU 2 -0.259 4.664 -1.199
9 2HB ABA 2 HB ABU 2 -0.828 7.268 -0.475
10 1HG ABA 2 HG21 ABU 2 -1.401 5.877 -3.089
11 2HG ABA 2 HG22 ABU 2 -2.291 7.250 -2.435
12 3HG ABA 2 HG23 ABU 2 -2.321 5.700 -1.596
13 H PHE 3 HN PHE 3 -1.157 4.700 0.889
14 HA PHE 3 HA PHE 3 0.139 5.912 3.116
15 1HB PHE 3 HB2 PHE 3 -2.251 5.257 3.116
16 2HB PHE 3 HB1 PHE 3 -1.772 3.564 3.062
17 HD1 PHE 3 HD1 PHE 3 -2.328 2.588 5.065
18 HD2 PHE 3 HD2 PHE 3 -0.531 6.442 5.085
19 HE1 PHE 3 HE1 PHE 3 -2.243 2.531 7.523
20 HE2 PHE 3 HE2 PHE 3 -0.443 6.394 7.541
21 HZ PHE 3 HZ PHE 3 -1.299 4.435 8.764
22 1HN ABA 4 HN ABU 4 2.180 5.392 3.584
23 HA ABA 4 HA ABU 4 3.164 2.658 3.279
24 2HB ABA 4 HB ABU 4 4.042 2.744 5.695
25 1HG ABA 4 HG21 ABU 4 2.020 4.955 5.793
26 2HG ABA 4 HG22 ABU 4 3.672 4.927 6.410
27 3HG ABA 4 HG23 ABU 4 2.411 4.005 7.229
28 H LEU 5 HN LEU 5 5.514 2.555 3.717
29 HA LEU 5 HA LEU 5 6.845 4.517 2.327
30 1HB LEU 5 HB2 LEU 5 8.322 5.525 4.028
31 2HB LEU 5 HB1 LEU 5 6.646 6.006 4.167
32 HG LEU 5 HG LEU 5 6.687 3.980 5.947
33 1HD1 LEU 5 HD11 LEU 5 8.929 4.718 7.229
34 2HD1 LEU 5 HD12 LEU 5 9.483 4.834 5.560
35 3HD1 LEU 5 HD13 LEU 5 8.831 3.314 6.169
36 1HD2 LEU 5 HD21 LEU 5 7.187 6.910 6.174
37 2HD2 LEU 5 HD22 LEU 5 7.273 5.903 7.620
38 3HD2 LEU 5 HD23 LEU 5 5.784 5.961 6.673
39 HA PRO 6 HA PRO 6 9.995 1.284 3.679
40 1HB PRO 6 HB2 PRO 6 9.497 -0.536 5.554
41 2HB PRO 6 HB1 PRO 6 9.809 1.145 5.996
42 1HG PRO 6 HG2 PRO 6 7.257 -0.362 5.963
43 2HG PRO 6 HG1 PRO 6 7.757 0.983 7.000
44 1HD PRO 6 HD2 PRO 6 6.145 1.102 4.651
45 2HD PRO 6 HD1 PRO 6 6.730 2.457 5.629
46 H GLY 7 HN GLY 7 10.049 -1.448 4.043
47 1HA GLY 7 HA2 GLY 7 8.379 -2.373 1.793
48 2HA GLY 7 HA1 GLY 7 9.980 -2.994 2.172
49 H GLY 8 HN GLY 8 10.250 -4.369 3.969
50 1HA GLY 8 HA2 GLY 8 9.643 -6.090 5.377
51 2HA GLY 8 HA1 GLY 8 8.130 -5.230 5.643
52 H GLY 9 HN GLY 9 9.371 -6.344 2.569
53 1HA GLY 9 HA2 GLY 9 8.484 -8.547 1.667
54 2HA GLY 9 HA1 GLY 9 6.939 -7.983 2.286
55 H GLY 10 HN GLY 10 6.099 -5.986 1.429
56 1HA GLY 10 HA2 GLY 10 7.155 -5.332 -1.246
57 2HA GLY 10 HA1 GLY 10 5.422 -5.406 -0.931
58 H VAL 11 HN VAL 11 4.599 -3.980 0.756
59 HA VAL 11 HA VAL 11 6.195 -1.691 1.532
60 HB VAL 11 HB VAL 11 4.411 -0.040 0.828
61 1HG1 VAL 11 HG11 VAL 11 6.573 -0.226 -0.350
62 2HG1 VAL 11 HG12 VAL 11 5.259 0.258 -1.425
63 3HG1 VAL 11 HG13 VAL 11 5.855 -1.402 -1.455
64 1HG2 VAL 11 HG21 VAL 11 2.526 -0.821 -0.047
65 2HG2 VAL 11 HG22 VAL 11 3.188 -2.453 -0.146
66 3HG2 VAL 11 HG23 VAL 11 3.430 -1.320 -1.477
67 H CYS 12 HN CYS 12 4.807 -0.174 2.738
68 HA CYS 12 HA CYS 12 3.243 -1.518 4.753
69 1HB CYS 12 HB2 CYS 12 4.524 0.242 5.552
70 2HB CYS 12 HB1 CYS 12 4.235 1.230 4.139
71 1HN ABA 13 HN ABU 13 1.033 -1.689 4.689
72 HA ABA 13 HA ABU 13 -0.593 0.086 3.128
73 2HB ABA 13 HB ABU 13 -1.491 -2.621 4.109
74 1HG ABA 13 HG21 ABU 13 -1.056 -0.107 5.691
75 2HG ABA 13 HG22 ABU 13 -0.568 -1.756 6.076
76 3HG ABA 13 HG23 ABU 13 -2.267 -1.297 6.170
77 H LEU 14 HN LEU 14 0.693 -3.179 2.693
78 HA LEU 14 HA LEU 14 0.600 -2.901 -0.123
79 1HB LEU 14 HB2 LEU 14 2.400 -4.107 0.839
80 2HB LEU 14 HB1 LEU 14 1.316 -5.148 1.743
81 HG LEU 14 HG LEU 14 0.528 -6.079 -0.426
82 1HD1 LEU 14 HD11 LEU 14 2.925 -4.645 -1.549
83 2HD1 LEU 14 HD12 LEU 14 1.246 -4.196 -1.841
84 3HD1 LEU 14 HD13 LEU 14 1.857 -5.747 -2.417
85 1HD2 LEU 14 HD21 LEU 14 2.912 -7.186 -0.850
86 2HD2 LEU 14 HD22 LEU 14 1.925 -7.569 0.560
87 3HD2 LEU 14 HD23 LEU 14 3.245 -6.409 0.697
88 1HN ABA 15 HN ABU 15 -1.550 -2.677 -0.747
89 HA ABA 15 HA ABU 15 -3.193 -5.104 -0.446
90 2HB ABA 15 HB ABU 15 -4.137 -4.370 -2.756
91 1HG ABA 15 HG21 ABU 15 -3.113 -6.241 -3.380
92 2HG ABA 15 HG22 ABU 15 -2.192 -6.170 -1.879
93 3HG ABA 15 HG23 ABU 15 -1.539 -5.450 -3.348
94 1HN DHA 16 HN DHA 16 -5.497 -4.661 -1.051
95 2HB DHA 16 HB1 DHA 16 -7.443 -3.262 -2.202
96 3HB DHA 16 HB2 DHA 16 -8.433 -2.300 -0.939
97 H GLU 17 HN GLU 17 -5.426 -3.846 1.717
98 HA GLU 17 HA GLU 17 -7.027 -2.684 3.698
99 1HB GLU 17 HB2 GLU 17 -5.365 -4.515 4.045
100 2HB GLU 17 HB1 GLU 17 -4.078 -3.334 3.866
101 1HG GLU 17 HG2 GLU 17 -4.401 -3.729 6.187
102 2HG GLU 17 HG1 GLU 17 -5.004 -2.114 5.822
103 H CYS 18 HN CYS 18 -4.373 -1.394 1.814
104 HA CYS 18 HA CYS 18 -4.874 1.235 3.009
105 1HB CYS 18 HB2 CYS 18 -2.091 0.301 2.463
106 2HB CYS 18 HB1 CYS 18 -2.588 1.722 3.348
107 H ILE 19 HN ILE 19 -2.229 0.195 0.960
108 HA ILE 19 HA ILE 19 -2.495 2.422 -0.667
109 HB ILE 19 HB ILE 19 -0.464 0.767 -0.123
110 1HG1 ILE 19 HG12 ILE 19 -0.352 3.084 -1.001
111 2HG1 ILE 19 HG11 ILE 19 0.880 2.017 -1.663
112 1HG2 ILE 19 HG21 ILE 19 0.288 -0.448 -2.052
113 2HG2 ILE 19 HG22 ILE 19 -1.131 0.060 -2.968
114 3HG2 ILE 19 HG23 ILE 19 -1.313 -1.020 -1.584
115 1HD1 ILE 19 HD11 ILE 19 -1.102 3.564 -3.013
116 2HD1 ILE 19 HD12 ILE 19 -1.294 1.855 -3.399
117 3HD1 ILE 19 HD13 ILE 19 0.254 2.651 -3.678
118 1HN TEE 20 HN TEA 20 -3.606 -0.808 -1.034
119 HB2 TEE 20 HB2 TEA 20 -3.264 -1.718 -4.315
120 HA TEE 20 HA TEA 20 -4.818 -1.669 -2.266
Start of MODEL 3
1 1H CYS 1 HT1 CYS 1 3.335 9.314 -0.133
2 2H CYS 1 HT2 CYS 1 3.948 8.037 -1.065
3 3H CYS 1 HT3 CYS 1 3.547 7.782 0.563
4 HA CYS 1 HA CYS 1 1.351 7.668 0.188
5 1HB CYS 1 HB2 CYS 1 1.180 9.928 -0.696
6 2HB CYS 1 HB1 CYS 1 1.834 9.401 -2.244
7 1HN ABA 2 HN ABU 2 0.889 5.072 -2.147
8 HA ABA 2 HA ABU 2 -1.018 5.324 -0.958
9 2HB ABA 2 HB ABU 2 -1.115 7.805 0.219
10 1HG ABA 2 HG21 ABU 2 -2.751 6.556 -1.288
11 2HG ABA 2 HG22 ABU 2 -1.933 7.347 -2.634
12 3HG ABA 2 HG23 ABU 2 -2.735 8.316 -1.398
13 H PHE 3 HN PHE 3 -1.730 5.005 1.114
14 HA PHE 3 HA PHE 3 -0.174 5.691 3.409
15 1HB PHE 3 HB2 PHE 3 -2.650 5.379 3.453
16 2HB PHE 3 HB1 PHE 3 -2.399 3.653 3.205
17 HD1 PHE 3 HD1 PHE 3 -3.066 2.617 5.157
18 HD2 PHE 3 HD2 PHE 3 -0.571 6.059 5.381
19 HE1 PHE 3 HE1 PHE 3 -2.855 2.302 7.588
20 HE2 PHE 3 HE2 PHE 3 -0.354 5.747 7.811
21 HZ PHE 3 HZ PHE 3 -1.464 3.863 8.915
22 1HN ABA 4 HN ABU 4 1.709 4.827 3.768
23 HA ABA 4 HA ABU 4 2.235 2.031 3.048
24 2HB ABA 4 HB ABU 4 3.193 1.455 5.131
25 1HG ABA 4 HG21 ABU 4 0.890 1.201 5.410
26 2HG ABA 4 HG22 ABU 4 0.622 2.943 5.517
27 3HG ABA 4 HG23 ABU 4 1.406 2.086 6.846
28 H LEU 5 HN LEU 5 4.865 2.479 4.631
29 HA LEU 5 HA LEU 5 6.155 4.140 2.575
30 1HB LEU 5 HB2 LEU 5 6.828 4.149 5.517
31 2HB LEU 5 HB1 LEU 5 7.667 5.054 4.276
32 HG LEU 5 HG LEU 5 5.290 6.116 3.872
33 1HD1 LEU 5 HD11 LEU 5 4.722 4.446 6.039
34 2HD1 LEU 5 HD12 LEU 5 3.704 5.722 5.371
35 3HD1 LEU 5 HD13 LEU 5 4.801 6.078 6.703
36 1HD2 LEU 5 HD21 LEU 5 7.591 6.811 5.362
37 2HD2 LEU 5 HD22 LEU 5 6.178 7.364 6.261
38 3HD2 LEU 5 HD23 LEU 5 6.418 7.877 4.591
39 HA PRO 6 HA PRO 6 9.572 1.156 4.013
40 1HB PRO 6 HB2 PRO 6 8.529 -0.716 5.982
41 2HB PRO 6 HB1 PRO 6 9.851 0.443 6.144
42 1HG PRO 6 HG2 PRO 6 7.498 0.711 7.460
43 2HG PRO 6 HG1 PRO 6 8.476 2.099 6.944
44 1HD PRO 6 HD2 PRO 6 6.059 0.893 5.625
45 2HD PRO 6 HD1 PRO 6 6.440 2.599 5.903
46 H GLY 7 HN GLY 7 10.266 -1.026 3.512
47 1HA GLY 7 HA2 GLY 7 8.599 -2.236 1.537
48 2HA GLY 7 HA1 GLY 7 10.160 -2.827 2.090
49 H GLY 8 HN GLY 8 10.269 -4.350 3.713
50 1HA GLY 8 HA2 GLY 8 9.560 -6.107 5.012
51 2HA GLY 8 HA1 GLY 8 8.157 -5.121 5.392
52 H GLY 9 HN GLY 9 9.062 -6.251 2.182
53 1HA GLY 9 HA2 GLY 9 8.075 -8.234 1.151
54 2HA GLY 9 HA1 GLY 9 6.687 -8.016 2.213
55 H GLY 10 HN GLY 10 8.343 -5.435 0.520
56 1HA GLY 10 HA2 GLY 10 7.521 -4.636 -1.671
57 2HA GLY 10 HA1 GLY 10 5.905 -5.047 -1.107
58 H VAL 11 HN VAL 11 4.881 -3.740 0.366
59 HA VAL 11 HA VAL 11 6.200 -1.416 1.503
60 HB VAL 11 HB VAL 11 4.351 0.126 0.703
61 1HG1 VAL 11 HG11 VAL 11 6.422 -0.928 -1.204
62 2HG1 VAL 11 HG12 VAL 11 6.472 0.535 -0.222
63 3HG1 VAL 11 HG13 VAL 11 5.389 0.441 -1.609
64 1HG2 VAL 11 HG21 VAL 11 3.410 -0.562 -1.583
65 2HG2 VAL 11 HG22 VAL 11 2.699 -1.294 -0.143
66 3HG2 VAL 11 HG23 VAL 11 3.851 -2.206 -1.120
67 H CYS 12 HN CYS 12 5.041 -0.443 3.066
68 HA CYS 12 HA CYS 12 3.277 -2.053 4.597
69 1HB CYS 12 HB2 CYS 12 4.480 -0.649 5.918
70 2HB CYS 12 HB1 CYS 12 4.552 0.612 4.708
71 1HN ABA 13 HN ABU 13 1.066 -2.051 4.617
72 HA ABA 13 HA ABU 13 -0.410 -0.015 3.143
73 2HB ABA 13 HB ABU 13 -1.647 -2.570 4.155
74 1HG ABA 13 HG21 ABU 13 -2.130 -1.306 6.298
75 2HG ABA 13 HG22 ABU 13 -0.860 -0.184 5.811
76 3HG ABA 13 HG23 ABU 13 -0.475 -1.881 6.088
77 H LEU 14 HN LEU 14 0.635 -3.350 2.864
78 HA LEU 14 HA LEU 14 0.554 -3.226 0.041
79 1HB LEU 14 HB2 LEU 14 2.275 -4.480 1.108
80 2HB LEU 14 HB1 LEU 14 1.116 -5.421 2.026
81 HG LEU 14 HG LEU 14 0.318 -6.387 -0.118
82 1HD1 LEU 14 HD11 LEU 14 2.869 -5.429 -1.348
83 2HD1 LEU 14 HD12 LEU 14 1.401 -4.458 -1.447
84 3HD1 LEU 14 HD13 LEU 14 1.429 -6.084 -2.128
85 1HD2 LEU 14 HD21 LEU 14 3.081 -6.813 0.937
86 2HD2 LEU 14 HD22 LEU 14 2.494 -7.761 -0.431
87 3HD2 LEU 14 HD23 LEU 14 1.645 -7.822 1.113
88 1HN ABA 15 HN ABU 15 -1.576 -2.896 -0.586
89 HA ABA 15 HA ABU 15 -3.366 -5.203 -0.190
90 2HB ABA 15 HB ABU 15 -4.216 -4.321 -2.573
91 1HG ABA 15 HG21 ABU 15 -1.950 -6.232 -2.023
92 2HG ABA 15 HG22 ABU 15 -2.835 -6.143 -3.548
93 3HG ABA 15 HG23 ABU 15 -3.675 -6.599 -2.064
94 1HN DHA 16 HN DHA 16 -5.636 -4.659 -0.795
95 2HB DHA 16 HB1 DHA 16 -7.421 -3.311 -2.134
96 3HB DHA 16 HB2 DHA 16 -8.388 -2.136 -1.047
97 H GLU 17 HN GLU 17 -5.602 -3.488 1.956
98 HA GLU 17 HA GLU 17 -7.291 -1.937 3.588
99 1HB GLU 17 HB2 GLU 17 -5.735 -3.870 4.257
100 2HB GLU 17 HB1 GLU 17 -4.457 -2.664 4.297
101 1HG GLU 17 HG2 GLU 17 -5.420 -3.105 6.508
102 2HG GLU 17 HG1 GLU 17 -5.610 -1.427 6.005
103 H CYS 18 HN CYS 18 -4.258 -1.222 1.966
104 HA CYS 18 HA CYS 18 -4.534 1.570 2.857
105 1HB CYS 18 HB2 CYS 18 -1.892 0.253 2.422
106 2HB CYS 18 HB1 CYS 18 -2.215 1.773 3.226
107 H ILE 19 HN ILE 19 -1.979 0.169 0.931
108 HA ILE 19 HA ILE 19 -2.018 2.301 -0.823
109 HB ILE 19 HB ILE 19 -0.150 0.539 -0.159
110 1HG1 ILE 19 HG12 ILE 19 0.083 2.761 -1.341
111 2HG1 ILE 19 HG11 ILE 19 1.307 1.553 -1.715
112 1HG2 ILE 19 HG21 ILE 19 0.425 -0.686 -2.367
113 2HG2 ILE 19 HG22 ILE 19 -1.305 -0.557 -2.674
114 3HG2 ILE 19 HG23 ILE 19 -0.725 -1.404 -1.240
115 1HD1 ILE 19 HD11 ILE 19 -0.504 1.067 -3.648
116 2HD1 ILE 19 HD12 ILE 19 0.889 2.135 -3.823
117 3HD1 ILE 19 HD13 ILE 19 -0.695 2.805 -3.433
118 1HN TEE 20 HN TEA 20 -3.468 -0.814 -1.042
119 HB2 TEE 20 HB2 TEA 20 -3.815 -2.853 -2.764
120 HA TEE 20 HA TEA 20 -4.757 -1.695 -2.396
Start of MODEL 4
1 1H CYS 1 HT1 CYS 1 0.259 11.510 3.019
2 2H CYS 1 HT2 CYS 1 1.929 11.688 3.284
3 3H CYS 1 HT3 CYS 1 1.102 10.360 3.938
4 HA CYS 1 HA CYS 1 1.046 9.217 2.036
5 1HB CYS 1 HB2 CYS 1 -0.348 10.812 0.874
6 2HB CYS 1 HB1 CYS 1 1.025 11.885 0.619
7 1HN ABA 2 HN ABU 2 4.339 8.907 0.856
8 HA ABA 2 HA ABU 2 3.094 7.175 0.092
9 2HB ABA 2 HB ABU 2 0.468 7.745 -0.025
10 1HG ABA 2 HG21 ABU 2 2.422 7.328 -1.797
11 2HG ABA 2 HG22 ABU 2 2.093 9.027 -2.136
12 3HG ABA 2 HG23 ABU 2 0.799 7.837 -2.265
13 H PHE 3 HN PHE 3 0.423 6.392 0.834
14 HA PHE 3 HA PHE 3 0.412 6.265 3.717
15 1HB PHE 3 HB2 PHE 3 -1.676 6.291 2.213
16 2HB PHE 3 HB1 PHE 3 -1.314 4.595 1.890
17 HD1 PHE 3 HD1 PHE 3 -3.081 3.498 2.921
18 HD2 PHE 3 HD2 PHE 3 -0.893 6.443 5.072
19 HE1 PHE 3 HE1 PHE 3 -4.251 2.847 4.987
20 HE2 PHE 3 HE2 PHE 3 -2.057 5.802 7.142
21 HZ PHE 3 HZ PHE 3 -3.729 4.026 7.115
22 1HN ABA 4 HN ABU 4 2.230 5.246 4.342
23 HA ABA 4 HA ABU 4 2.705 2.506 3.327
24 2HB ABA 4 HB ABU 4 3.099 1.666 5.434
25 1HG ABA 4 HG21 ABU 4 0.934 2.003 5.944
26 2HG ABA 4 HG22 ABU 4 1.006 3.726 5.573
27 3HG ABA 4 HG23 ABU 4 1.597 3.136 7.127
28 H LEU 5 HN LEU 5 5.232 2.183 4.577
29 HA LEU 5 HA LEU 5 6.817 3.720 2.808
30 1HB LEU 5 HB2 LEU 5 8.187 4.955 4.402
31 2HB LEU 5 HB1 LEU 5 6.522 5.488 4.400
32 HG LEU 5 HG LEU 5 7.479 3.558 6.485
33 1HD1 LEU 5 HD11 LEU 5 7.482 6.275 7.413
34 2HD1 LEU 5 HD12 LEU 5 8.620 6.076 6.080
35 3HD1 LEU 5 HD13 LEU 5 8.751 5.054 7.510
36 1HD2 LEU 5 HD21 LEU 5 5.702 5.562 7.423
37 2HD2 LEU 5 HD22 LEU 5 5.417 3.829 7.252
38 3HD2 LEU 5 HD23 LEU 5 5.054 4.920 5.914
39 HA PRO 6 HA PRO 6 9.696 0.799 5.379
40 1HB PRO 6 HB2 PRO 6 7.826 -1.205 6.459
41 2HB PRO 6 HB1 PRO 6 9.170 -0.380 7.254
42 1HG PRO 6 HG2 PRO 6 6.640 0.210 7.868
43 2HG PRO 6 HG1 PRO 6 7.889 1.471 7.799
44 1HD PRO 6 HD2 PRO 6 5.830 0.739 5.741
45 2HD PRO 6 HD1 PRO 6 6.295 2.344 6.325
46 H GLY 7 HN GLY 7 10.649 -1.020 4.504
47 1HA GLY 7 HA2 GLY 7 9.106 -2.279 2.327
48 2HA GLY 7 HA1 GLY 7 10.845 -2.023 2.313
49 H GLY 8 HN GLY 8 8.555 -3.502 4.610
50 1HA GLY 8 HA2 GLY 8 10.323 -5.872 4.627
51 2HA GLY 8 HA1 GLY 8 9.360 -5.355 6.006
52 H GLY 9 HN GLY 9 9.198 -6.641 2.732
53 1HA GLY 9 HA2 GLY 9 7.708 -8.480 2.207
54 2HA GLY 9 HA1 GLY 9 6.591 -7.850 3.413
55 H GLY 10 HN GLY 10 8.279 -5.767 1.218
56 1HA GLY 10 HA2 GLY 10 7.383 -4.980 -0.902
57 2HA GLY 10 HA1 GLY 10 5.775 -5.329 -0.276
58 H VAL 11 HN VAL 11 4.675 -3.690 0.491
59 HA VAL 11 HA VAL 11 6.091 -1.488 1.819
60 HB VAL 11 HB VAL 11 4.430 0.152 0.904
61 1HG1 VAL 11 HG11 VAL 11 6.459 -1.195 -0.849
62 2HG1 VAL 11 HG12 VAL 11 6.539 0.372 -0.045
63 3HG1 VAL 11 HG13 VAL 11 5.507 0.157 -1.461
64 1HG2 VAL 11 HG21 VAL 11 3.111 -2.062 -0.034
65 2HG2 VAL 11 HG22 VAL 11 3.886 -1.443 -1.493
66 3HG2 VAL 11 HG23 VAL 11 2.818 -0.401 -0.552
67 H CYS 12 HN CYS 12 4.874 -0.352 3.243
68 HA CYS 12 HA CYS 12 3.083 -1.863 4.833
69 1HB CYS 12 HB2 CYS 12 4.306 -0.420 6.086
70 2HB CYS 12 HB1 CYS 12 4.392 0.782 4.819
71 1HN ABA 13 HN ABU 13 1.204 -2.388 3.813
72 HA ABA 13 HA ABU 13 -0.403 -0.142 2.762
73 2HB ABA 13 HB ABU 13 -1.810 -2.659 3.455
74 1HG ABA 13 HG21 ABU 13 -0.568 -2.677 5.427
75 2HG ABA 13 HG22 ABU 13 -2.025 -1.788 5.866
76 3HG ABA 13 HG23 ABU 13 -0.529 -0.916 5.532
77 H LEU 14 HN LEU 14 0.655 -3.463 2.277
78 HA LEU 14 HA LEU 14 0.474 -3.154 -0.539
79 1HB LEU 14 HB2 LEU 14 2.252 -4.446 0.401
80 2HB LEU 14 HB1 LEU 14 1.124 -5.480 1.261
81 HG LEU 14 HG LEU 14 0.287 -6.242 -0.962
82 1HD1 LEU 14 HD11 LEU 14 2.817 -5.022 -2.032
83 2HD1 LEU 14 HD12 LEU 14 1.229 -4.277 -2.203
84 3HD1 LEU 14 HD13 LEU 14 1.548 -5.848 -2.936
85 1HD2 LEU 14 HD21 LEU 14 1.616 -7.798 0.115
86 2HD2 LEU 14 HD22 LEU 14 3.052 -6.778 0.032
87 3HD2 LEU 14 HD23 LEU 14 2.459 -7.587 -1.420
88 1HN ABA 15 HN ABU 15 -1.728 -2.763 -0.960
89 HA ABA 15 HA ABU 15 -3.445 -5.146 -0.699
90 2HB ABA 15 HB ABU 15 -4.566 -4.234 -2.845
91 1HG ABA 15 HG21 ABU 15 -3.606 -6.326 -2.973
92 2HG ABA 15 HG22 ABU 15 -1.992 -5.721 -2.599
93 3HG ABA 15 HG23 ABU 15 -2.695 -5.433 -4.189
94 1HN DHA 16 HN DHA 16 -5.731 -4.700 -0.796
95 2HB DHA 16 HB1 DHA 16 -7.802 -3.302 -1.734
96 3HB DHA 16 HB2 DHA 16 -8.603 -2.294 -0.378
97 H GLU 17 HN GLU 17 -5.269 -3.792 1.891
98 HA GLU 17 HA GLU 17 -6.623 -2.525 4.004
99 1HB GLU 17 HB2 GLU 17 -4.998 -4.424 4.206
100 2HB GLU 17 HB1 GLU 17 -3.697 -3.277 3.916
101 1HG GLU 17 HG2 GLU 17 -4.280 -2.061 5.924
102 2HG GLU 17 HG1 GLU 17 -5.646 -3.139 6.206
103 H CYS 18 HN CYS 18 -4.075 -1.419 1.845
104 HA CYS 18 HA CYS 18 -4.488 1.272 2.923
105 1HB CYS 18 HB2 CYS 18 -1.759 0.406 2.099
106 2HB CYS 18 HB1 CYS 18 -2.213 1.836 2.991
107 H ILE 19 HN ILE 19 -2.058 0.214 0.593
108 HA ILE 19 HA ILE 19 -2.547 2.360 -1.009
109 HB ILE 19 HB ILE 19 -1.011 1.499 -2.605
110 1HG1 ILE 19 HG12 ILE 19 -1.231 -1.173 -1.215
111 2HG1 ILE 19 HG11 ILE 19 -1.933 -0.790 -2.782
112 1HG2 ILE 19 HG21 ILE 19 -0.221 2.246 -0.345
113 2HG2 ILE 19 HG22 ILE 19 0.895 1.213 -1.239
114 3HG2 ILE 19 HG23 ILE 19 -0.069 0.540 0.077
115 1HD1 ILE 19 HD11 ILE 19 -0.005 -1.863 -3.388
116 2HD1 ILE 19 HD12 ILE 19 0.912 -1.210 -2.030
117 3HD1 ILE 19 HD13 ILE 19 0.520 -0.180 -3.407
118 1HN TEE 20 HN TEA 20 -3.891 -0.783 -1.158
119 HB2 TEE 20 HB2 TEA 20 -4.006 -2.484 -3.377
120 HA TEE 20 HA TEA 20 -5.229 -1.658 -2.243
Start of MODEL 5
1 1H CYS 1 HT1 CYS 1 4.354 8.333 0.584
2 2H CYS 1 HT2 CYS 1 5.119 8.331 -0.931
3 3H CYS 1 HT3 CYS 1 4.943 6.880 -0.067
4 HA CYS 1 HA CYS 1 2.441 7.408 -0.186
5 1HB CYS 1 HB2 CYS 1 2.741 9.639 -1.140
6 2HB CYS 1 HB1 CYS 1 3.574 8.949 -2.530
7 1HN ABA 2 HN ABU 2 2.158 4.770 -2.493
8 HA ABA 2 HA ABU 2 0.093 5.292 -1.730
9 2HB ABA 2 HB ABU 2 -0.127 7.731 -0.675
10 1HG ABA 2 HG21 ABU 2 -1.314 6.880 -2.629
11 2HG ABA 2 HG22 ABU 2 0.116 7.160 -3.623
12 3HG ABA 2 HG23 ABU 2 -0.737 8.525 -2.900
13 H PHE 3 HN PHE 3 -1.074 5.183 0.173
14 HA PHE 3 HA PHE 3 0.083 5.710 2.731
15 1HB PHE 3 HB2 PHE 3 -2.369 5.764 2.274
16 2HB PHE 3 HB1 PHE 3 -2.333 4.016 2.068
17 HD1 PHE 3 HD1 PHE 3 -3.735 3.346 3.815
18 HD2 PHE 3 HD2 PHE 3 -0.487 5.975 4.615
19 HE1 PHE 3 HE1 PHE 3 -4.096 3.050 6.226
20 HE2 PHE 3 HE2 PHE 3 -0.841 5.680 7.030
21 HZ PHE 3 HZ PHE 3 -2.648 4.215 7.839
22 1HN ABA 4 HN ABU 4 1.879 4.597 3.192
23 HA ABA 4 HA ABU 4 1.902 1.688 2.791
24 2HB ABA 4 HB ABU 4 2.833 1.261 4.964
25 1HG ABA 4 HG21 ABU 4 0.998 2.028 6.471
26 2HG ABA 4 HG22 ABU 4 0.444 1.267 4.981
27 3HG ABA 4 HG23 ABU 4 0.400 3.023 5.142
28 H LEU 5 HN LEU 5 4.442 3.244 4.594
29 HA LEU 5 HA LEU 5 5.936 3.699 2.129
30 1HB LEU 5 HB2 LEU 5 6.294 4.759 4.914
31 2HB LEU 5 HB1 LEU 5 7.448 5.049 3.630
32 HG LEU 5 HG LEU 5 5.427 6.024 2.333
33 1HD1 LEU 5 HD11 LEU 5 3.795 5.161 4.063
34 2HD1 LEU 5 HD12 LEU 5 3.608 6.847 3.575
35 3HD1 LEU 5 HD13 LEU 5 4.380 6.452 5.112
36 1HD2 LEU 5 HD21 LEU 5 6.557 7.460 4.727
37 2HD2 LEU 5 HD22 LEU 5 5.811 8.213 3.317
38 3HD2 LEU 5 HD23 LEU 5 7.326 7.325 3.144
39 HA PRO 6 HA PRO 6 9.250 1.423 4.838
40 1HB PRO 6 HB2 PRO 6 8.296 -0.611 6.422
41 2HB PRO 6 HB1 PRO 6 8.677 1.015 6.998
42 1HG PRO 6 HG2 PRO 6 6.040 -0.182 6.297
43 2HG PRO 6 HG1 PRO 6 6.455 0.939 7.605
44 1HD PRO 6 HD2 PRO 6 5.222 1.743 5.338
45 2HD PRO 6 HD1 PRO 6 6.345 2.770 6.221
46 H GLY 7 HN GLY 7 10.363 -0.433 4.240
47 1HA GLY 7 HA2 GLY 7 8.847 -2.202 2.422
48 2HA GLY 7 HA1 GLY 7 10.484 -1.648 2.102
49 H GLY 8 HN GLY 8 8.496 -3.776 4.034
50 1HA GLY 8 HA2 GLY 8 10.946 -5.278 4.745
51 2HA GLY 8 HA1 GLY 8 9.485 -5.283 5.727
52 H GLY 9 HN GLY 9 7.572 -5.512 3.779
53 1HA GLY 9 HA2 GLY 9 8.221 -8.052 2.417
54 2HA GLY 9 HA1 GLY 9 6.639 -7.749 3.137
55 H GLY 10 HN GLY 10 8.654 -5.446 1.459
56 1HA GLY 10 HA2 GLY 10 8.252 -4.796 -0.884
57 2HA GLY 10 HA1 GLY 10 6.556 -5.175 -0.602
58 H VAL 11 HN VAL 11 5.313 -3.828 0.664
59 HA VAL 11 HA VAL 11 6.433 -1.488 1.953
60 HB VAL 11 HB VAL 11 4.557 -0.051 0.825
61 1HG1 VAL 11 HG11 VAL 11 7.211 -0.708 -0.442
62 2HG1 VAL 11 HG12 VAL 11 6.822 0.619 0.653
63 3HG1 VAL 11 HG13 VAL 11 6.186 0.617 -0.992
64 1HG2 VAL 11 HG21 VAL 11 3.963 -0.576 -1.393
65 2HG2 VAL 11 HG22 VAL 11 3.744 -2.075 -0.490
66 3HG2 VAL 11 HG23 VAL 11 5.170 -1.857 -1.506
67 H CYS 12 HN CYS 12 5.120 -0.593 3.372
68 HA CYS 12 HA CYS 12 3.169 -2.157 4.635
69 1HB CYS 12 HB2 CYS 12 4.110 -0.693 6.071
70 2HB CYS 12 HB1 CYS 12 4.347 0.526 4.844
71 1HN ABA 13 HN ABU 13 0.907 -1.955 4.655
72 HA ABA 13 HA ABU 13 -0.487 -0.053 3.047
73 2HB ABA 13 HB ABU 13 -1.645 -2.693 3.922
74 1HG ABA 13 HG21 ABU 13 -0.970 -0.315 5.614
75 2HG ABA 13 HG22 ABU 13 -0.719 -2.028 5.947
76 3HG ABA 13 HG23 ABU 13 -2.344 -1.347 6.016
77 H LEU 14 HN LEU 14 0.546 -3.393 2.598
78 HA LEU 14 HA LEU 14 0.558 -3.064 -0.228
79 1HB LEU 14 HB2 LEU 14 2.277 -4.369 0.727
80 2HB LEU 14 HB1 LEU 14 1.143 -5.335 1.649
81 HG LEU 14 HG LEU 14 0.339 -6.351 -0.436
82 1HD1 LEU 14 HD11 LEU 14 0.792 -4.656 -2.046
83 2HD1 LEU 14 HD12 LEU 14 1.751 -6.072 -2.476
84 3HD1 LEU 14 HD13 LEU 14 2.519 -4.696 -1.685
85 1HD2 LEU 14 HD21 LEU 14 2.839 -7.291 -0.962
86 2HD2 LEU 14 HD22 LEU 14 1.805 -7.845 0.355
87 3HD2 LEU 14 HD23 LEU 14 3.039 -6.620 0.657
88 1HN ABA 15 HN ABU 15 -1.667 -2.592 -0.640
89 HA ABA 15 HA ABU 15 -3.379 -4.989 -0.585
90 2HB ABA 15 HB ABU 15 -4.319 -4.030 -2.809
91 1HG ABA 15 HG21 ABU 15 -2.407 -5.253 -4.019
92 2HG ABA 15 HG22 ABU 15 -3.346 -6.143 -2.819
93 3HG ABA 15 HG23 ABU 15 -1.752 -5.517 -2.403
94 1HN DHA 16 HN DHA 16 -5.659 -4.499 -0.961
95 2HB DHA 16 HB1 DHA 16 -7.594 -3.093 -2.049
96 3HB DHA 16 HB2 DHA 16 -8.538 -2.095 -0.780
97 H GLU 17 HN GLU 17 -5.484 -3.635 1.848
98 HA GLU 17 HA GLU 17 -7.099 -2.381 3.784
99 1HB GLU 17 HB2 GLU 17 -5.584 -4.303 4.229
100 2HB GLU 17 HB1 GLU 17 -4.206 -3.227 4.045
101 1HG GLU 17 HG2 GLU 17 -4.985 -1.910 5.954
102 2HG GLU 17 HG1 GLU 17 -6.351 -3.009 6.145
103 H CYS 18 HN CYS 18 -4.301 -1.273 1.977
104 HA CYS 18 HA CYS 18 -4.733 1.381 3.145
105 1HB CYS 18 HB2 CYS 18 -1.972 0.465 2.524
106 2HB CYS 18 HB1 CYS 18 -2.472 1.812 3.511
107 H ILE 19 HN ILE 19 -2.105 0.411 1.060
108 HA ILE 19 HA ILE 19 -2.423 2.620 -0.544
109 HB ILE 19 HB ILE 19 -0.430 0.835 -0.139
110 1HG1 ILE 19 HG12 ILE 19 -0.171 3.192 -0.729
111 2HG1 ILE 19 HG11 ILE 19 0.902 2.171 -1.680
112 1HG2 ILE 19 HG21 ILE 19 -0.196 0.419 -2.906
113 2HG2 ILE 19 HG22 ILE 19 -1.792 -0.161 -2.431
114 3HG2 ILE 19 HG23 ILE 19 -0.352 -0.789 -1.630
115 1HD1 ILE 19 HD11 ILE 19 -0.333 4.062 -2.852
116 2HD1 ILE 19 HD12 ILE 19 -1.753 3.025 -2.724
117 3HD1 ILE 19 HD13 ILE 19 -0.336 2.470 -3.609
118 1HN TEE 20 HN TEA 20 -3.680 -0.552 -0.872
119 HB2 TEE 20 HB2 TEA 20 -4.862 -1.737 -4.421
120 HA TEE 20 HA TEA 20 -4.906 -1.354 -2.008
Start of MODEL 6
1 1H CYS 1 HT1 CYS 1 3.325 8.708 0.767
2 2H CYS 1 HT2 CYS 1 3.527 9.744 -0.560
3 3H CYS 1 HT3 CYS 1 4.466 8.336 -0.434
4 HA CYS 1 HA CYS 1 1.755 7.632 -0.295
5 1HB CYS 1 HB2 CYS 1 1.283 9.702 -1.448
6 2HB CYS 1 HB1 CYS 1 2.552 9.385 -2.624
7 1HN ABA 2 HN ABU 2 2.702 4.931 -2.349
8 HA ABA 2 HA ABU 2 0.510 4.711 -1.844
9 2HB ABA 2 HB ABU 2 -0.738 6.952 -1.216
10 1HG ABA 2 HG21 ABU 2 -1.115 7.315 -3.632
11 2HG ABA 2 HG22 ABU 2 -1.229 5.621 -3.156
12 3HG ABA 2 HG23 ABU 2 0.219 6.212 -3.973
13 H PHE 3 HN PHE 3 -1.063 4.894 -0.040
14 HA PHE 3 HA PHE 3 -0.007 5.648 2.541
15 1HB PHE 3 HB2 PHE 3 -2.429 5.804 2.031
16 2HB PHE 3 HB1 PHE 3 -2.487 4.055 1.850
17 HD1 PHE 3 HD1 PHE 3 -3.926 3.428 3.564
18 HD2 PHE 3 HD2 PHE 3 -0.655 6.005 4.416
19 HE1 PHE 3 HE1 PHE 3 -4.374 3.191 5.971
20 HE2 PHE 3 HE2 PHE 3 -1.094 5.774 6.829
21 HZ PHE 3 HZ PHE 3 -2.957 4.363 7.608
22 1HN ABA 4 HN ABU 4 1.758 4.462 3.012
23 HA ABA 4 HA ABU 4 1.602 1.549 2.703
24 2HB ABA 4 HB ABU 4 2.645 1.137 4.842
25 1HG ABA 4 HG21 ABU 4 0.833 2.250 6.365
26 2HG ABA 4 HG22 ABU 4 0.375 1.030 5.176
27 3HG ABA 4 HG23 ABU 4 0.137 2.741 4.821
28 H LEU 5 HN LEU 5 4.263 3.045 4.345
29 HA LEU 5 HA LEU 5 5.768 3.129 1.824
30 1HB LEU 5 HB2 LEU 5 6.204 4.648 4.391
31 2HB LEU 5 HB1 LEU 5 7.262 4.735 2.999
32 HG LEU 5 HG LEU 5 5.189 5.542 1.705
33 1HD1 LEU 5 HD11 LEU 5 3.961 5.022 4.160
34 2HD1 LEU 5 HD12 LEU 5 3.261 5.841 2.760
35 3HD1 LEU 5 HD13 LEU 5 4.045 6.781 4.031
36 1HD2 LEU 5 HD21 LEU 5 6.959 6.950 3.560
37 2HD2 LEU 5 HD22 LEU 5 5.494 7.837 3.139
38 3HD2 LEU 5 HD23 LEU 5 6.586 7.284 1.869
39 HA PRO 6 HA PRO 6 8.943 1.410 5.147
40 1HB PRO 6 HB2 PRO 6 7.059 -0.209 6.786
41 2HB PRO 6 HB1 PRO 6 8.490 0.705 7.281
42 1HG PRO 6 HG2 PRO 6 6.062 1.649 7.787
43 2HG PRO 6 HG1 PRO 6 7.356 2.737 7.250
44 1HD PRO 6 HD2 PRO 6 5.073 1.602 5.684
45 2HD PRO 6 HD1 PRO 6 5.763 3.221 5.633
46 H GLY 7 HN GLY 7 10.078 -0.406 4.745
47 1HA GLY 7 HA2 GLY 7 8.999 -2.248 2.837
48 2HA GLY 7 HA1 GLY 7 10.626 -2.261 3.499
49 H GLY 8 HN GLY 8 7.277 -3.059 4.271
50 1HA GLY 8 HA2 GLY 8 8.307 -5.369 5.804
51 2HA GLY 8 HA1 GLY 8 6.828 -4.518 6.250
52 H GLY 9 HN GLY 9 8.349 -6.331 3.630
53 1HA GLY 9 HA2 GLY 9 7.273 -8.048 2.361
54 2HA GLY 9 HA1 GLY 9 5.714 -7.420 2.892
55 H GLY 10 HN GLY 10 8.457 -5.607 1.661
56 1HA GLY 10 HA2 GLY 10 8.647 -4.559 -0.473
57 2HA GLY 10 HA1 GLY 10 6.945 -4.908 -0.762
58 H VAL 11 HN VAL 11 5.370 -3.735 0.392
59 HA VAL 11 HA VAL 11 6.292 -1.317 1.786
60 HB VAL 11 HB VAL 11 4.369 -0.039 0.763
61 1HG1 VAL 11 HG11 VAL 11 6.472 0.627 0.001
62 2HG1 VAL 11 HG12 VAL 11 5.610 0.256 -1.492
63 3HG1 VAL 11 HG13 VAL 11 6.766 -0.900 -0.832
64 1HG2 VAL 11 HG21 VAL 11 3.558 -2.415 -0.246
65 2HG2 VAL 11 HG22 VAL 11 4.406 -1.747 -1.641
66 3HG2 VAL 11 HG23 VAL 11 3.080 -0.849 -0.901
67 H CYS 12 HN CYS 12 5.009 -0.554 3.259
68 HA CYS 12 HA CYS 12 3.220 -2.216 4.669
69 1HB CYS 12 HB2 CYS 12 4.148 -0.648 6.017
70 2HB CYS 12 HB1 CYS 12 4.275 0.535 4.737
71 1HN ABA 13 HN ABU 13 0.903 -2.070 4.729
72 HA ABA 13 HA ABU 13 -0.504 -0.182 3.165
73 2HB ABA 13 HB ABU 13 -1.780 -2.814 3.792
74 1HG ABA 13 HG21 ABU 13 -0.744 -2.588 5.855
75 2HG ABA 13 HG22 ABU 13 -2.276 -1.752 6.109
76 3HG ABA 13 HG23 ABU 13 -0.805 -0.826 5.806
77 H LEU 14 HN LEU 14 0.589 -3.466 2.517
78 HA LEU 14 HA LEU 14 0.500 -2.987 -0.282
79 1HB LEU 14 HB2 LEU 14 2.270 -4.313 0.600
80 2HB LEU 14 HB1 LEU 14 1.152 -5.390 1.413
81 HG LEU 14 HG LEU 14 0.356 -6.152 -0.795
82 1HD1 LEU 14 HD11 LEU 14 2.290 -5.615 -2.587
83 2HD1 LEU 14 HD12 LEU 14 2.269 -4.099 -1.688
84 3HD1 LEU 14 HD13 LEU 14 0.795 -4.687 -2.456
85 1HD2 LEU 14 HD21 LEU 14 3.268 -6.640 -0.881
86 2HD2 LEU 14 HD22 LEU 14 1.925 -7.783 -0.879
87 3HD2 LEU 14 HD23 LEU 14 2.444 -7.029 0.628
88 1HN ABA 15 HN ABU 15 -1.709 -2.571 -0.661
89 HA ABA 15 HA ABU 15 -3.426 -4.961 -0.567
90 2HB ABA 15 HB ABU 15 -4.403 -3.873 -2.774
91 1HG ABA 15 HG21 ABU 15 -2.864 -6.068 -2.131
92 2HG ABA 15 HG22 ABU 15 -1.985 -5.329 -3.470
93 3HG ABA 15 HG23 ABU 15 -3.678 -5.781 -3.670
94 1HN DHA 16 HN DHA 16 -5.713 -4.441 -0.879
95 2HB DHA 16 HB1 DHA 16 -7.636 -2.972 -1.975
96 3HB DHA 16 HB2 DHA 16 -8.527 -1.940 -0.695
97 H GLU 17 HN GLU 17 -5.547 -3.601 1.912
98 HA GLU 17 HA GLU 17 -7.068 -2.287 3.868
99 1HB GLU 17 HB2 GLU 17 -5.552 -4.217 4.278
100 2HB GLU 17 HB1 GLU 17 -4.176 -3.150 4.052
101 1HG GLU 17 HG2 GLU 17 -4.539 -3.474 6.392
102 2HG GLU 17 HG1 GLU 17 -4.945 -1.809 5.978
103 H CYS 18 HN CYS 18 -4.212 -1.282 2.065
104 HA CYS 18 HA CYS 18 -4.575 1.412 3.179
105 1HB CYS 18 HB2 CYS 18 -1.852 0.395 2.570
106 2HB CYS 18 HB1 CYS 18 -2.305 1.748 3.575
107 H ILE 19 HN ILE 19 -2.013 0.272 1.075
108 HA ILE 19 HA ILE 19 -2.148 2.505 -0.513
109 HB ILE 19 HB ILE 19 -0.310 0.587 -0.152
110 1HG1 ILE 19 HG12 ILE 19 0.002 2.934 -0.959
111 2HG1 ILE 19 HG11 ILE 19 1.103 1.760 -1.665
112 1HG2 ILE 19 HG21 ILE 19 0.131 -0.317 -2.529
113 2HG2 ILE 19 HG22 ILE 19 -1.599 -0.059 -2.763
114 3HG2 ILE 19 HG23 ILE 19 -1.034 -1.142 -1.491
115 1HD1 ILE 19 HD11 ILE 19 -0.978 1.777 -3.430
116 2HD1 ILE 19 HD12 ILE 19 0.541 2.656 -3.607
117 3HD1 ILE 19 HD13 ILE 19 -0.873 3.462 -2.924
118 1HN TEE 20 HN TEA 20 -3.694 -0.547 -0.910
119 HB2 TEE 20 HB2 TEA 20 -3.673 -1.768 -3.868
120 HA TEE 20 HA TEA 20 -5.013 -1.302 -2.255
Start of MODEL 7
1 1H CYS 1 HT1 CYS 1 3.128 8.516 -4.570
2 2H CYS 1 HT2 CYS 1 1.694 7.620 -4.650
3 3H CYS 1 HT3 CYS 1 3.119 6.897 -4.070
4 HA CYS 1 HA CYS 1 2.145 9.290 -2.711
5 1HB CYS 1 HB2 CYS 1 0.292 7.486 -3.289
6 2HB CYS 1 HB1 CYS 1 1.027 6.620 -1.948
7 1HN ABA 2 HN ABU 2 3.771 7.159 0.103
8 HA ABA 2 HA ABU 2 1.062 6.856 -0.532
9 2HB ABA 2 HB ABU 2 0.261 8.935 0.719
10 1HG ABA 2 HG21 ABU 2 1.845 10.249 1.556
11 2HG ABA 2 HG22 ABU 2 2.221 10.726 -0.100
12 3HG ABA 2 HG23 ABU 2 3.100 9.400 0.655
13 H PHE 3 HN PHE 3 -0.148 6.201 1.214
14 HA PHE 3 HA PHE 3 0.692 6.414 3.908
15 1HB PHE 3 HB2 PHE 3 -1.653 5.926 3.151
16 2HB PHE 3 HB1 PHE 3 -1.121 4.307 2.707
17 HD1 PHE 3 HD1 PHE 3 -1.942 2.753 4.170
18 HD2 PHE 3 HD2 PHE 3 -0.558 6.478 5.696
19 HE1 PHE 3 HE1 PHE 3 -2.409 1.988 6.460
20 HE2 PHE 3 HE2 PHE 3 -1.017 5.716 7.987
21 HZ PHE 3 HZ PHE 3 -1.947 3.469 8.375
22 1HN ABA 4 HN ABU 4 2.514 5.594 4.618
23 HA ABA 4 HA ABU 4 3.553 3.079 3.520
24 2HB ABA 4 HB ABU 4 2.850 1.941 5.332
25 1HG ABA 4 HG21 ABU 4 1.260 3.571 6.073
26 2HG ABA 4 HG22 ABU 4 2.531 4.579 6.769
27 3HG ABA 4 HG23 ABU 4 2.155 3.011 7.486
28 H LEU 5 HN LEU 5 5.803 2.690 4.343
29 HA LEU 5 HA LEU 5 7.446 4.820 3.738
30 1HB LEU 5 HB2 LEU 5 8.532 5.399 5.823
31 2HB LEU 5 HB1 LEU 5 6.830 5.799 5.875
32 HG LEU 5 HG LEU 5 7.670 3.194 7.063
33 1HD1 LEU 5 HD11 LEU 5 8.373 4.187 9.111
34 2HD1 LEU 5 HD12 LEU 5 7.993 5.805 8.523
35 3HD1 LEU 5 HD13 LEU 5 9.337 4.905 7.821
36 1HD2 LEU 5 HD21 LEU 5 5.807 3.483 8.419
37 2HD2 LEU 5 HD22 LEU 5 5.286 4.196 6.890
38 3HD2 LEU 5 HD23 LEU 5 5.810 5.234 8.218
39 HA PRO 6 HA PRO 6 10.149 1.174 5.104
40 1HB PRO 6 HB2 PRO 6 8.722 -1.039 6.170
41 2HB PRO 6 HB1 PRO 6 9.679 0.139 7.067
42 1HG PRO 6 HG2 PRO 6 6.930 -0.177 7.265
43 2HG PRO 6 HG1 PRO 6 7.829 1.270 7.754
44 1HD PRO 6 HD2 PRO 6 6.341 0.731 5.208
45 2HD PRO 6 HD1 PRO 6 6.400 2.213 6.183
46 H GLY 7 HN GLY 7 10.044 -1.603 4.829
47 1HA GLY 7 HA2 GLY 7 8.762 -2.058 2.223
48 2HA GLY 7 HA1 GLY 7 10.501 -2.252 2.368
49 H GLY 8 HN GLY 8 8.053 -3.141 4.758
50 1HA GLY 8 HA2 GLY 8 9.178 -5.740 5.102
51 2HA GLY 8 HA1 GLY 8 7.678 -5.156 5.809
52 H GLY 9 HN GLY 9 5.730 -5.496 4.748
53 1HA GLY 9 HA2 GLY 9 5.740 -7.643 2.771
54 2HA GLY 9 HA1 GLY 9 4.323 -6.915 3.521
55 H GLY 10 HN GLY 10 6.859 -6.410 1.143
56 1HA GLY 10 HA2 GLY 10 6.812 -5.260 -0.879
57 2HA GLY 10 HA1 GLY 10 5.109 -4.902 -0.604
58 H VAL 11 HN VAL 11 4.557 -3.205 0.808
59 HA VAL 11 HA VAL 11 6.716 -1.354 1.513
60 HB VAL 11 HB VAL 11 4.828 0.481 1.093
61 1HG1 VAL 11 HG11 VAL 11 5.860 0.356 -1.434
62 2HG1 VAL 11 HG12 VAL 11 7.021 -0.616 -0.529
63 3HG1 VAL 11 HG13 VAL 11 6.689 1.047 -0.040
64 1HG2 VAL 11 HG21 VAL 11 4.192 -0.735 -1.425
65 2HG2 VAL 11 HG22 VAL 11 3.105 -0.144 -0.172
66 3HG2 VAL 11 HG23 VAL 11 3.683 -1.807 -0.119
67 H CYS 12 HN CYS 12 3.318 -0.759 1.828
68 HA CYS 12 HA CYS 12 2.952 -1.641 4.499
69 1HB CYS 12 HB2 CYS 12 4.399 0.083 5.158
70 2HB CYS 12 HB1 CYS 12 3.877 1.141 3.862
71 1HN ABA 13 HN ABU 13 1.153 -2.431 3.252
72 HA ABA 13 HA ABU 13 -0.689 -0.344 2.364
73 2HB ABA 13 HB ABU 13 -2.057 -2.859 2.866
74 1HG ABA 13 HG21 ABU 13 -0.970 -3.398 4.771
75 2HG ABA 13 HG22 ABU 13 -2.057 -2.193 5.460
76 3HG ABA 13 HG23 ABU 13 -0.398 -1.755 5.047
77 H LEU 14 HN LEU 14 0.677 -3.535 1.869
78 HA LEU 14 HA LEU 14 0.387 -3.283 -0.962
79 1HB LEU 14 HB2 LEU 14 2.342 -4.353 -0.070
80 2HB LEU 14 HB1 LEU 14 1.367 -5.491 0.842
81 HG LEU 14 HG LEU 14 0.553 -6.421 -1.299
82 1HD1 LEU 14 HD11 LEU 14 0.819 -5.047 -3.059
83 2HD1 LEU 14 HD12 LEU 14 2.412 -5.796 -3.165
84 3HD1 LEU 14 HD13 LEU 14 2.218 -4.246 -2.349
85 1HD2 LEU 14 HD21 LEU 14 2.861 -6.946 0.067
86 2HD2 LEU 14 HD22 LEU 14 3.439 -6.762 -1.587
87 3HD2 LEU 14 HD23 LEU 14 2.189 -7.948 -1.217
88 1HN ABA 15 HN ABU 15 -1.997 -2.960 -0.512
89 HA ABA 15 HA ABU 15 -3.547 -5.316 0.038
90 2HB ABA 15 HB ABU 15 -4.613 -4.240 -2.417
91 1HG ABA 15 HG21 ABU 15 -3.885 -6.887 -2.819
92 2HG ABA 15 HG22 ABU 15 -5.438 -6.288 -2.238
93 3HG ABA 15 HG23 ABU 15 -4.191 -6.763 -1.086
94 1HN DHA 16 HN DHA 16 -5.958 -4.425 -0.869
95 2HB DHA 16 HB1 DHA 16 -7.148 -2.372 -2.154
96 3HB DHA 16 HB2 DHA 16 -7.991 -1.232 -0.941
97 H GLU 17 HN GLU 17 -5.574 -3.555 1.867
98 HA GLU 17 HA GLU 17 -7.188 -2.420 3.878
99 1HB GLU 17 HB2 GLU 17 -5.607 -4.348 4.186
100 2HB GLU 17 HB1 GLU 17 -4.274 -3.217 4.061
101 1HG GLU 17 HG2 GLU 17 -4.755 -3.778 6.377
102 2HG GLU 17 HG1 GLU 17 -5.017 -2.062 6.055
103 H CYS 18 HN CYS 18 -4.422 -1.302 2.087
104 HA CYS 18 HA CYS 18 -4.694 1.331 3.368
105 1HB CYS 18 HB2 CYS 18 -2.031 0.507 2.412
106 2HB CYS 18 HB1 CYS 18 -2.444 1.581 3.709
107 H ILE 19 HN ILE 19 -2.690 -0.152 0.895
108 HA ILE 19 HA ILE 19 -3.157 2.136 -0.823
109 HB ILE 19 HB ILE 19 -1.000 0.039 -0.809
110 1HG1 ILE 19 HG12 ILE 19 -0.820 1.552 1.059
111 2HG1 ILE 19 HG11 ILE 19 0.445 1.929 -0.111
112 1HG2 ILE 19 HG21 ILE 19 -1.149 2.492 -2.535
113 2HG2 ILE 19 HG22 ILE 19 -1.417 0.839 -3.087
114 3HG2 ILE 19 HG23 ILE 19 0.168 1.320 -2.479
115 1HD1 ILE 19 HD11 ILE 19 -1.788 3.457 -0.810
116 2HD1 ILE 19 HD12 ILE 19 -0.253 4.013 -0.136
117 3HD1 ILE 19 HD13 ILE 19 -1.596 3.605 0.936
118 1HN TEE 20 HN TEA 20 -2.234 -1.141 -1.628
119 HB2 TEE 20 HB2 TEA 20 -3.161 -3.207 -4.557
120 HA TEE 20 HA TEA 20 -4.194 -1.418 -2.252
Start of MODEL 8
1 1H CYS 1 HT1 CYS 1 -2.979 3.656 -5.160
2 2H CYS 1 HT2 CYS 1 -1.529 2.781 -5.059
3 3H CYS 1 HT3 CYS 1 -1.670 4.061 -6.159
4 HA CYS 1 HA CYS 1 -1.279 5.632 -4.642
5 1HB CYS 1 HB2 CYS 1 -3.489 4.637 -3.581
6 2HB CYS 1 HB1 CYS 1 -2.378 3.998 -2.382
7 1HN ABA 2 HN ABU 2 1.073 4.026 -2.001
8 HA ABA 2 HA ABU 2 -1.565 4.680 -1.343
9 2HB ABA 2 HB ABU 2 -1.249 7.169 -1.099
10 1HG ABA 2 HG21 ABU 2 0.472 7.676 -3.229
11 2HG ABA 2 HG22 ABU 2 1.288 6.450 -2.259
12 3HG ABA 2 HG23 ABU 2 0.786 7.969 -1.517
13 H PHE 3 HN PHE 3 -1.787 5.099 0.821
14 HA PHE 3 HA PHE 3 0.327 5.934 2.511
15 1HB PHE 3 HB2 PHE 3 -2.082 6.213 3.056
16 2HB PHE 3 HB1 PHE 3 -2.215 4.469 3.248
17 HD1 PHE 3 HD1 PHE 3 -2.335 3.781 5.422
18 HD2 PHE 3 HD2 PHE 3 0.099 7.140 4.459
19 HE1 PHE 3 HE1 PHE 3 -1.699 3.993 7.789
20 HE2 PHE 3 HE2 PHE 3 0.742 7.353 6.825
21 HZ PHE 3 HZ PHE 3 -0.162 5.784 8.494
22 1HN ABA 4 HN ABU 4 2.109 4.749 2.686
23 HA ABA 4 HA ABU 4 2.017 1.858 2.590
24 2HB ABA 4 HB ABU 4 1.826 1.612 4.830
25 1HG ABA 4 HG21 ABU 4 1.606 3.304 6.280
26 2HG ABA 4 HG22 ABU 4 1.763 4.345 4.866
27 3HG ABA 4 HG23 ABU 4 3.176 3.994 5.862
28 H LEU 5 HN LEU 5 4.294 4.303 3.843
29 HA LEU 5 HA LEU 5 5.866 4.216 1.502
30 1HB LEU 5 HB2 LEU 5 7.417 5.708 2.668
31 2HB LEU 5 HB1 LEU 5 5.755 6.249 2.742
32 HG LEU 5 HG LEU 5 6.832 4.696 5.052
33 1HD1 LEU 5 HD11 LEU 5 7.737 6.724 6.047
34 2HD1 LEU 5 HD12 LEU 5 7.382 7.621 4.569
35 3HD1 LEU 5 HD13 LEU 5 8.586 6.333 4.551
36 1HD2 LEU 5 HD21 LEU 5 4.548 6.363 4.440
37 2HD2 LEU 5 HD22 LEU 5 5.398 6.934 5.875
38 3HD2 LEU 5 HD23 LEU 5 4.813 5.274 5.803
39 HA PRO 6 HA PRO 6 9.102 1.737 4.045
40 1HB PRO 6 HB2 PRO 6 7.667 0.116 5.984
41 2HB PRO 6 HB1 PRO 6 8.960 1.287 6.261
42 1HG PRO 6 HG2 PRO 6 6.408 1.712 7.074
43 2HG PRO 6 HG1 PRO 6 7.488 3.032 6.583
44 1HD PRO 6 HD2 PRO 6 5.361 1.639 4.984
45 2HD PRO 6 HD1 PRO 6 5.676 3.371 5.138
46 H GLY 7 HN GLY 7 9.309 -0.861 4.625
47 1HA GLY 7 HA2 GLY 7 7.901 -2.135 2.367
48 2HA GLY 7 HA1 GLY 7 9.519 -2.563 2.897
49 H GLY 8 HN GLY 8 9.801 -3.832 4.728
50 1HA GLY 8 HA2 GLY 8 9.263 -5.533 6.180
51 2HA GLY 8 HA1 GLY 8 7.728 -4.712 6.425
52 H GLY 9 HN GLY 9 8.990 -6.017 3.408
53 1HA GLY 9 HA2 GLY 9 8.267 -8.229 2.576
54 2HA GLY 9 HA1 GLY 9 6.736 -7.933 3.390
55 H GLY 10 HN GLY 10 8.590 -5.582 1.531
56 1HA GLY 10 HA2 GLY 10 8.032 -5.113 -0.823
57 2HA GLY 10 HA1 GLY 10 6.367 -5.517 -0.415
58 H VAL 11 HN VAL 11 5.150 -4.093 0.827
59 HA VAL 11 HA VAL 11 6.261 -1.563 1.725
60 HB VAL 11 HB VAL 11 4.344 -0.278 0.613
61 1HG1 VAL 11 HG11 VAL 11 5.736 -0.469 -1.719
62 2HG1 VAL 11 HG12 VAL 11 6.894 -1.142 -0.572
63 3HG1 VAL 11 HG13 VAL 11 6.248 0.477 -0.321
64 1HG2 VAL 11 HG21 VAL 11 3.151 -1.138 -1.132
65 2HG2 VAL 11 HG22 VAL 11 3.405 -2.618 -0.212
66 3HG2 VAL 11 HG23 VAL 11 4.424 -2.261 -1.605
67 H CYS 12 HN CYS 12 5.038 -0.533 3.121
68 HA CYS 12 HA CYS 12 3.198 -2.007 4.704
69 1HB CYS 12 HB2 CYS 12 4.298 -0.482 5.960
70 2HB CYS 12 HB1 CYS 12 4.490 0.637 4.631
71 1HN ABA 13 HN ABU 13 0.947 -1.780 4.823
72 HA ABA 13 HA ABU 13 -0.523 0.054 3.199
73 2HB ABA 13 HB ABU 13 -1.646 -2.584 4.146
74 1HG ABA 13 HG21 ABU 13 -0.720 -1.917 6.158
75 2HG ABA 13 HG22 ABU 13 -2.317 -1.175 6.229
76 3HG ABA 13 HG23 ABU 13 -0.911 -0.200 5.801
77 H LEU 14 HN LEU 14 0.544 -3.293 2.798
78 HA LEU 14 HA LEU 14 0.623 -2.974 0.006
79 1HB LEU 14 HB2 LEU 14 2.232 -4.360 1.059
80 2HB LEU 14 HB1 LEU 14 0.991 -5.324 1.841
81 HG LEU 14 HG LEU 14 0.299 -6.140 -0.382
82 1HD1 LEU 14 HD11 LEU 14 2.749 -4.643 -1.281
83 2HD1 LEU 14 HD12 LEU 14 1.085 -4.393 -1.810
84 3HD1 LEU 14 HD13 LEU 14 1.935 -5.876 -2.246
85 1HD2 LEU 14 HD21 LEU 14 2.485 -6.894 1.192
86 2HD2 LEU 14 HD22 LEU 14 3.034 -7.013 -0.479
87 3HD2 LEU 14 HD23 LEU 14 1.596 -7.892 0.043
88 1HN ABA 15 HN ABU 15 -1.451 -2.481 -0.681
89 HA ABA 15 HA ABU 15 -3.184 -4.847 -0.958
90 2HB ABA 15 HB ABU 15 -3.968 -3.762 -3.071
91 1HG ABA 15 HG21 ABU 15 -1.566 -5.132 -2.503
92 2HG ABA 15 HG22 ABU 15 -1.205 -3.950 -3.762
93 3HG ABA 15 HG23 ABU 15 -2.493 -5.131 -4.004
94 1HN DHA 16 HN DHA 16 -5.434 -4.488 -1.124
95 2HB DHA 16 HB1 DHA 16 -7.509 -3.189 -2.069
96 3HB DHA 16 HB2 DHA 16 -8.482 -2.335 -0.719
97 H GLU 17 HN GLU 17 -5.261 -3.806 1.724
98 HA GLU 17 HA GLU 17 -6.822 -2.733 3.793
99 1HB GLU 17 HB2 GLU 17 -5.133 -4.526 4.090
100 2HB GLU 17 HB1 GLU 17 -3.858 -3.351 3.806
101 1HG GLU 17 HG2 GLU 17 -4.127 -3.824 6.171
102 2HG GLU 17 HG1 GLU 17 -4.504 -2.141 5.810
103 H CYS 18 HN CYS 18 -4.063 -1.403 2.005
104 HA CYS 18 HA CYS 18 -4.780 1.218 3.112
105 1HB CYS 18 HB2 CYS 18 -1.940 0.502 2.538
106 2HB CYS 18 HB1 CYS 18 -2.538 1.897 3.394
107 H ILE 19 HN ILE 19 -2.124 0.366 0.938
108 HA ILE 19 HA ILE 19 -2.486 2.586 -0.568
109 HB ILE 19 HB ILE 19 -0.888 1.771 -2.141
110 1HG1 ILE 19 HG12 ILE 19 -1.213 -0.943 -0.859
111 2HG1 ILE 19 HG11 ILE 19 -1.801 -0.499 -2.458
112 1HG2 ILE 19 HG21 ILE 19 -0.100 0.715 0.554
113 2HG2 ILE 19 HG22 ILE 19 -0.210 2.434 0.179
114 3HG2 ILE 19 HG23 ILE 19 0.941 1.414 -0.686
115 1HD1 ILE 19 HD11 ILE 19 1.052 -0.007 -2.023
116 2HD1 ILE 19 HD12 ILE 19 0.216 -0.735 -3.394
117 3HD1 ILE 19 HD13 ILE 19 0.567 -1.702 -1.961
118 1HN TEE 20 HN TEA 20 -3.954 -0.465 -0.997
119 HB2 TEE 20 HB2 TEA 20 -5.082 -2.421 -2.639
120 HA TEE 20 HA TEA 20 -5.103 -1.166 -2.156
Start of MODEL 9
1 1H CYS 1 HT1 CYS 1 5.032 8.473 -0.802
2 2H CYS 1 HT2 CYS 1 5.127 6.907 -0.161
3 3H CYS 1 HT3 CYS 1 4.355 8.136 0.716
4 HA CYS 1 HA CYS 1 2.498 7.273 -0.119
5 1HB CYS 1 HB2 CYS 1 2.628 9.429 -1.202
6 2HB CYS 1 HB1 CYS 1 3.613 8.764 -2.499
7 1HN ABA 2 HN ABU 2 2.382 4.481 -2.275
8 HA ABA 2 HA ABU 2 0.271 4.940 -1.599
9 2HB ABA 2 HB ABU 2 -0.077 7.468 -0.772
10 1HG ABA 2 HG21 ABU 2 -0.580 7.997 -3.183
11 2HG ABA 2 HG22 ABU 2 -1.330 6.532 -2.552
12 3HG ABA 2 HG23 ABU 2 0.093 6.415 -3.586
13 H PHE 3 HN PHE 3 -0.948 4.928 0.278
14 HA PHE 3 HA PHE 3 0.200 5.634 2.818
15 1HB PHE 3 HB2 PHE 3 -2.257 5.666 2.403
16 2HB PHE 3 HB1 PHE 3 -2.227 3.913 2.248
17 HD1 PHE 3 HD1 PHE 3 -3.549 3.243 4.052
18 HD2 PHE 3 HD2 PHE 3 -0.365 5.990 4.689
19 HE1 PHE 3 HE1 PHE 3 -3.849 3.017 6.481
20 HE2 PHE 3 HE2 PHE 3 -0.650 5.762 7.127
21 HZ PHE 3 HZ PHE 3 -2.397 4.273 8.021
22 1HN ABA 4 HN ABU 4 1.845 4.534 3.580
23 HA ABA 4 HA ABU 4 2.036 1.654 3.021
24 2HB ABA 4 HB ABU 4 2.831 1.172 5.242
25 1HG ABA 4 HG21 ABU 4 0.307 2.805 5.293
26 2HG ABA 4 HG22 ABU 4 0.858 1.808 6.641
27 3HG ABA 4 HG23 ABU 4 0.458 1.060 5.093
28 H LEU 5 HN LEU 5 3.922 4.258 4.566
29 HA LEU 5 HA LEU 5 5.692 4.495 2.417
30 1HB LEU 5 HB2 LEU 5 7.008 5.964 3.928
31 2HB LEU 5 HB1 LEU 5 5.316 6.374 3.760
32 HG LEU 5 HG LEU 5 5.130 4.934 5.991
33 1HD1 LEU 5 HD11 LEU 5 7.989 5.797 5.843
34 2HD1 LEU 5 HD12 LEU 5 7.313 4.259 6.380
35 3HD1 LEU 5 HD13 LEU 5 7.159 5.693 7.397
36 1HD2 LEU 5 HD21 LEU 5 5.480 7.749 5.359
37 2HD2 LEU 5 HD22 LEU 5 5.929 7.351 7.017
38 3HD2 LEU 5 HD23 LEU 5 4.314 6.962 6.423
39 HA PRO 6 HA PRO 6 8.990 2.071 4.860
40 1HB PRO 6 HB2 PRO 6 7.773 0.016 6.456
41 2HB PRO 6 HB1 PRO 6 8.719 1.403 6.997
42 1HG PRO 6 HG2 PRO 6 6.046 1.091 7.500
43 2HG PRO 6 HG1 PRO 6 6.865 2.664 7.426
44 1HD PRO 6 HD2 PRO 6 5.258 1.258 5.317
45 2HD PRO 6 HD1 PRO 6 5.223 2.962 5.792
46 H GLY 7 HN GLY 7 10.063 0.110 4.347
47 1HA GLY 7 HA2 GLY 7 8.556 -1.500 2.388
48 2HA GLY 7 HA1 GLY 7 10.287 -1.199 2.330
49 H GLY 8 HN GLY 8 7.788 -2.747 4.307
50 1HA GLY 8 HA2 GLY 8 9.795 -4.772 5.079
51 2HA GLY 8 HA1 GLY 8 8.396 -4.342 6.058
52 H GLY 9 HN GLY 9 9.566 -6.142 3.357
53 1HA GLY 9 HA2 GLY 9 8.597 -8.012 2.325
54 2HA GLY 9 HA1 GLY 9 7.112 -7.717 3.228
55 H GLY 10 HN GLY 10 8.927 -5.370 1.385
56 1HA GLY 10 HA2 GLY 10 8.346 -4.674 -0.871
57 2HA GLY 10 HA1 GLY 10 6.694 -5.177 -0.533
58 H VAL 11 HN VAL 11 5.362 -3.891 0.661
59 HA VAL 11 HA VAL 11 6.348 -1.436 1.886
60 HB VAL 11 HB VAL 11 4.494 -0.084 0.830
61 1HG1 VAL 11 HG11 VAL 11 7.033 -0.863 -0.374
62 2HG1 VAL 11 HG12 VAL 11 6.334 0.739 -0.142
63 3HG1 VAL 11 HG13 VAL 11 5.878 -0.227 -1.546
64 1HG2 VAL 11 HG21 VAL 11 3.012 -1.145 -0.447
65 2HG2 VAL 11 HG22 VAL 11 4.000 -2.606 -0.476
66 3HG2 VAL 11 HG23 VAL 11 4.274 -1.334 -1.667
67 H CYS 12 HN CYS 12 4.935 -0.515 3.249
68 HA CYS 12 HA CYS 12 3.064 -2.259 4.540
69 1HB CYS 12 HB2 CYS 12 4.053 -0.910 6.073
70 2HB CYS 12 HB1 CYS 12 4.280 0.402 4.940
71 1HN ABA 13 HN ABU 13 0.795 -1.979 4.572
72 HA ABA 13 HA ABU 13 -0.515 0.016 2.979
73 2HB ABA 13 HB ABU 13 -1.823 -2.599 3.668
74 1HG ABA 13 HG21 ABU 13 -1.009 -2.266 5.781
75 2HG ABA 13 HG22 ABU 13 -2.467 -1.279 5.862
76 3HG ABA 13 HG23 ABU 13 -0.901 -0.516 5.588
77 H LEU 14 HN LEU 14 0.581 -3.274 2.474
78 HA LEU 14 HA LEU 14 0.550 -2.909 -0.345
79 1HB LEU 14 HB2 LEU 14 2.335 -4.148 0.641
80 2HB LEU 14 HB1 LEU 14 1.217 -5.233 1.445
81 HG LEU 14 HG LEU 14 0.510 -6.076 -0.750
82 1HD1 LEU 14 HD11 LEU 14 0.964 -4.828 -2.543
83 2HD1 LEU 14 HD12 LEU 14 2.625 -5.408 -2.417
84 3HD1 LEU 14 HD13 LEU 14 2.164 -3.882 -1.663
85 1HD2 LEU 14 HD21 LEU 14 3.029 -6.480 0.568
86 2HD2 LEU 14 HD22 LEU 14 3.177 -6.797 -1.160
87 3HD2 LEU 14 HD23 LEU 14 1.968 -7.658 -0.206
88 1HN ABA 15 HN ABU 15 -1.717 -2.533 -0.672
89 HA ABA 15 HA ABU 15 -3.303 -5.014 -0.612
90 2HB ABA 15 HB ABU 15 -4.125 -3.313 -2.790
91 1HG ABA 15 HG21 ABU 15 -1.225 -4.112 -2.729
92 2HG ABA 15 HG22 ABU 15 -1.912 -2.515 -3.028
93 3HG ABA 15 HG23 ABU 15 -2.094 -3.792 -4.229
94 1HN DHA 16 HN DHA 16 -5.556 -4.734 -0.630
95 2HB DHA 16 HB1 DHA 16 -7.696 -3.663 -1.702
96 3HB DHA 16 HB2 DHA 16 -8.645 -2.611 -0.480
97 H GLU 17 HN GLU 17 -5.416 -3.625 2.120
98 HA GLU 17 HA GLU 17 -7.038 -2.194 3.920
99 1HB GLU 17 HB2 GLU 17 -5.532 -4.022 4.594
100 2HB GLU 17 HB1 GLU 17 -4.144 -3.008 4.228
101 1HG GLU 17 HG2 GLU 17 -4.499 -3.011 6.587
102 2HG GLU 17 HG1 GLU 17 -4.902 -1.415 5.957
103 H CYS 18 HN CYS 18 -4.222 -1.234 2.026
104 HA CYS 18 HA CYS 18 -4.691 1.504 2.987
105 1HB CYS 18 HB2 CYS 18 -1.927 0.614 2.357
106 2HB CYS 18 HB1 CYS 18 -2.445 1.969 3.327
107 H ILE 19 HN ILE 19 -2.125 0.395 0.889
108 HA ILE 19 HA ILE 19 -2.386 2.550 -0.766
109 HB ILE 19 HB ILE 19 -0.462 0.737 -0.370
110 1HG1 ILE 19 HG12 ILE 19 -0.246 3.069 -1.217
111 2HG1 ILE 19 HG11 ILE 19 0.880 1.931 -1.947
112 1HG2 ILE 19 HG21 ILE 19 -0.812 0.195 -3.236
113 2HG2 ILE 19 HG22 ILE 19 -1.878 -0.682 -2.139
114 3HG2 ILE 19 HG23 ILE 19 -0.129 -0.812 -1.957
115 1HD1 ILE 19 HD11 ILE 19 -1.177 3.559 -3.164
116 2HD1 ILE 19 HD12 ILE 19 -1.263 1.865 -3.646
117 3HD1 ILE 19 HD13 ILE 19 0.229 2.775 -3.884
118 1HN TEE 20 HN TEA 20 -3.828 -0.561 -1.071
119 HB2 TEE 20 HB2 TEA 20 -3.843 -2.140 -3.548
120 HA TEE 20 HA TEA 20 -5.609 -0.697 -2.014
Start of MODEL 10
1 1H CYS 1 HT1 CYS 1 1.536 7.045 -5.460
2 2H CYS 1 HT2 CYS 1 2.968 6.619 -4.651
3 3H CYS 1 HT3 CYS 1 2.679 8.237 -5.071
4 HA CYS 1 HA CYS 1 1.195 8.590 -3.414
5 1HB CYS 1 HB2 CYS 1 0.041 6.399 -4.374
6 2HB CYS 1 HB1 CYS 1 0.736 5.678 -2.929
7 1HN ABA 2 HN ABU 2 2.825 6.749 -0.420
8 HA ABA 2 HA ABU 2 0.392 5.796 -1.438
9 2HB ABA 2 HB ABU 2 -0.037 8.396 -0.021
10 1HG ABA 2 HG21 ABU 2 -2.092 8.064 -1.798
11 2HG ABA 2 HG22 ABU 2 -2.104 7.600 -0.098
12 3HG ABA 2 HG23 ABU 2 -1.705 6.402 -1.327
13 H PHE 3 HN PHE 3 -1.187 5.492 0.456
14 HA PHE 3 HA PHE 3 -0.251 5.821 3.114
15 1HB PHE 3 HB2 PHE 3 -2.675 5.485 2.292
16 2HB PHE 3 HB1 PHE 3 -2.300 3.765 2.300
17 HD1 PHE 3 HD1 PHE 3 -3.634 2.954 4.028
18 HD2 PHE 3 HD2 PHE 3 -1.174 6.357 4.710
19 HE1 PHE 3 HE1 PHE 3 -4.139 2.831 6.432
20 HE2 PHE 3 HE2 PHE 3 -1.678 6.244 7.115
21 HZ PHE 3 HZ PHE 3 -3.205 4.536 7.970
22 1HN ABA 4 HN ABU 4 1.735 4.979 3.363
23 HA ABA 4 HA ABU 4 2.357 2.270 2.532
24 2HB ABA 4 HB ABU 4 3.417 2.019 4.994
25 1HG ABA 4 HG21 ABU 4 2.034 4.256 5.495
26 2HG ABA 4 HG22 ABU 4 2.276 2.999 6.708
27 3HG ABA 4 HG23 ABU 4 0.763 3.072 5.804
28 H LEU 5 HN LEU 5 4.258 3.740 5.068
29 HA LEU 5 HA LEU 5 5.659 5.624 3.648
30 1HB LEU 5 HB2 LEU 5 6.371 4.020 6.064
31 2HB LEU 5 HB1 LEU 5 7.548 5.107 5.359
32 HG LEU 5 HG LEU 5 5.859 6.963 5.637
33 1HD1 LEU 5 HD11 LEU 5 4.168 6.476 7.473
34 2HD1 LEU 5 HD12 LEU 5 4.415 4.773 7.084
35 3HD1 LEU 5 HD13 LEU 5 3.804 5.881 5.853
36 1HD2 LEU 5 HD21 LEU 5 7.380 7.261 7.254
37 2HD2 LEU 5 HD22 LEU 5 7.374 5.559 7.715
38 3HD2 LEU 5 HD23 LEU 5 6.122 6.642 8.322
39 HA PRO 6 HA PRO 6 9.287 2.407 2.820
40 1HB PRO 6 HB2 PRO 6 7.606 -0.038 2.541
41 2HB PRO 6 HB1 PRO 6 9.246 0.134 3.173
42 1HG PRO 6 HG2 PRO 6 7.204 -0.228 4.830
43 2HG PRO 6 HG1 PRO 6 8.512 0.900 5.241
44 1HD PRO 6 HD2 PRO 6 5.752 1.470 4.248
45 2HD PRO 6 HD1 PRO 6 6.725 2.351 5.444
46 H GLY 7 HN GLY 7 9.978 2.106 0.743
47 1HA GLY 7 HA2 GLY 7 7.885 2.009 -1.343
48 2HA GLY 7 HA1 GLY 7 9.248 3.111 -1.436
49 H GLY 8 HN GLY 8 8.131 -0.099 -1.975
50 1HA GLY 8 HA2 GLY 8 10.155 -0.694 -3.819
51 2HA GLY 8 HA1 GLY 8 10.570 -1.455 -2.290
52 H GLY 9 HN GLY 9 10.340 -3.523 -3.193
53 1HA GLY 9 HA2 GLY 9 7.895 -4.409 -4.389
54 2HA GLY 9 HA1 GLY 9 9.200 -5.432 -3.800
55 H GLY 10 HN GLY 10 9.153 -4.277 -1.132
56 1HA GLY 10 HA2 GLY 10 6.660 -5.522 -0.150
57 2HA GLY 10 HA1 GLY 10 8.185 -5.529 0.729
58 H VAL 11 HN VAL 11 5.308 -3.799 0.041
59 HA VAL 11 HA VAL 11 6.286 -1.510 1.621
60 HB VAL 11 HB VAL 11 4.472 -0.166 0.564
61 1HG1 VAL 11 HG11 VAL 11 6.210 0.457 -0.685
62 2HG1 VAL 11 HG12 VAL 11 5.667 -0.701 -1.897
63 3HG1 VAL 11 HG13 VAL 11 6.876 -1.175 -0.703
64 1HG2 VAL 11 HG21 VAL 11 3.099 -0.960 -1.113
65 2HG2 VAL 11 HG22 VAL 11 3.220 -2.377 -0.071
66 3HG2 VAL 11 HG23 VAL 11 4.192 -2.279 -1.540
67 H CYS 12 HN CYS 12 4.950 -0.498 2.981
68 HA CYS 12 HA CYS 12 3.161 -2.093 4.533
69 1HB CYS 12 HB2 CYS 12 4.210 -0.560 5.844
70 2HB CYS 12 HB1 CYS 12 4.338 0.616 4.559
71 1HN ABA 13 HN ABU 13 0.922 -1.958 4.575
72 HA ABA 13 HA ABU 13 -0.524 -0.059 3.003
73 2HB ABA 13 HB ABU 13 -1.650 -2.700 3.935
74 1HG ABA 13 HG21 ABU 13 -0.925 -0.304 5.572
75 2HG ABA 13 HG22 ABU 13 -0.772 -2.019 5.955
76 3HG ABA 13 HG23 ABU 13 -2.357 -1.247 5.992
77 H LEU 14 HN LEU 14 0.487 -3.410 2.598
78 HA LEU 14 HA LEU 14 0.547 -3.118 -0.219
79 1HB LEU 14 HB2 LEU 14 2.219 -4.436 0.833
80 2HB LEU 14 HB1 LEU 14 1.023 -5.414 1.665
81 HG LEU 14 HG LEU 14 0.309 -6.305 -0.525
82 1HD1 LEU 14 HD11 LEU 14 2.614 -4.638 -1.480
83 2HD1 LEU 14 HD12 LEU 14 0.958 -4.684 -2.087
84 3HD1 LEU 14 HD13 LEU 14 2.042 -6.045 -2.379
85 1HD2 LEU 14 HD21 LEU 14 1.834 -7.553 0.894
86 2HD2 LEU 14 HD22 LEU 14 3.208 -6.699 0.193
87 3HD2 LEU 14 HD23 LEU 14 2.245 -7.788 -0.805
88 1HN ABA 15 HN ABU 15 -1.657 -2.623 -0.677
89 HA ABA 15 HA ABU 15 -3.405 -4.999 -0.663
90 2HB ABA 15 HB ABU 15 -4.302 -3.942 -2.874
91 1HG ABA 15 HG21 ABU 15 -1.726 -5.472 -2.603
92 2HG ABA 15 HG22 ABU 15 -2.559 -5.242 -4.140
93 3HG ABA 15 HG23 ABU 15 -3.354 -6.113 -2.832
94 1HN DHA 16 HN DHA 16 -5.666 -4.518 -0.855
95 2HB DHA 16 HB1 DHA 16 -7.574 -2.923 -1.963
96 3HB DHA 16 HB2 DHA 16 -8.454 -1.946 -0.633
97 H GLU 17 HN GLU 17 -5.358 -3.708 1.832
98 HA GLU 17 HA GLU 17 -6.862 -2.561 3.916
99 1HB GLU 17 HB2 GLU 17 -5.424 -4.449 4.336
100 2HB GLU 17 HB1 GLU 17 -4.009 -3.548 3.815
101 1HG GLU 17 HG2 GLU 17 -4.103 -2.149 5.742
102 2HG GLU 17 HG1 GLU 17 -5.667 -2.814 6.211
103 H CYS 18 HN CYS 18 -4.337 -1.287 1.877
104 HA CYS 18 HA CYS 18 -4.735 1.316 3.135
105 1HB CYS 18 HB2 CYS 18 -1.960 0.460 2.467
106 2HB CYS 18 HB1 CYS 18 -2.462 1.831 3.419
107 H ILE 19 HN ILE 19 -2.142 0.368 1.006
108 HA ILE 19 HA ILE 19 -2.424 2.623 -0.528
109 HB ILE 19 HB ILE 19 -0.484 0.764 -0.139
110 1HG1 ILE 19 HG12 ILE 19 -0.160 3.148 -0.545
111 2HG1 ILE 19 HG11 ILE 19 0.938 2.177 -1.518
112 1HG2 ILE 19 HG21 ILE 19 -0.404 0.626 -3.025
113 2HG2 ILE 19 HG22 ILE 19 -1.767 -0.255 -2.338
114 3HG2 ILE 19 HG23 ILE 19 -0.124 -0.627 -1.817
115 1HD1 ILE 19 HD11 ILE 19 -0.801 4.187 -2.368
116 2HD1 ILE 19 HD12 ILE 19 -1.455 2.668 -2.978
117 3HD1 ILE 19 HD13 ILE 19 0.204 3.129 -3.358
118 1HN TEE 20 HN TEA 20 -3.740 -0.521 -1.044
119 HB2 TEE 20 HB2 TEA 20 -3.924 -2.289 -3.198
120 HA TEE 20 HA TEA 20 -4.984 -1.232 -2.297
Start of MODEL 11
1 1H CYS 1 HT1 CYS 1 4.452 8.503 0.901
2 2H CYS 1 HT2 CYS 1 4.707 9.325 -0.559
3 3H CYS 1 HT3 CYS 1 5.296 7.748 -0.360
4 HA CYS 1 HA CYS 1 2.628 7.531 0.173
5 1HB CYS 1 HB2 CYS 1 2.841 9.907 -1.084
6 2HB CYS 1 HB1 CYS 1 2.751 8.847 -2.488
7 1HN ABA 2 HN ABU 2 2.785 4.915 -2.255
8 HA ABA 2 HA ABU 2 0.653 4.959 -1.536
9 2HB ABA 2 HB ABU 2 -0.169 7.357 -0.730
10 1HG ABA 2 HG21 ABU 2 -1.141 6.216 -2.571
11 2HG ABA 2 HG22 ABU 2 0.314 6.413 -3.547
12 3HG ABA 2 HG23 ABU 2 -0.676 7.818 -3.145
13 H PHE 3 HN PHE 3 -0.658 4.931 0.328
14 HA PHE 3 HA PHE 3 0.347 5.671 2.908
15 1HB PHE 3 HB2 PHE 3 -2.090 5.356 2.331
16 2HB PHE 3 HB1 PHE 3 -1.790 3.623 2.264
17 HD1 PHE 3 HD1 PHE 3 -3.289 3.014 4.023
18 HD2 PHE 3 HD2 PHE 3 -0.217 5.878 4.705
19 HE1 PHE 3 HE1 PHE 3 -3.674 2.845 6.450
20 HE2 PHE 3 HE2 PHE 3 -0.598 5.718 7.129
21 HZ PHE 3 HZ PHE 3 -2.404 4.235 7.995
22 1HN ABA 4 HN ABU 4 2.097 4.767 3.699
23 HA ABA 4 HA ABU 4 3.055 2.250 2.718
24 2HB ABA 4 HB ABU 4 2.373 0.896 4.377
25 1HG ABA 4 HG21 ABU 4 0.978 3.208 5.129
26 2HG ABA 4 HG22 ABU 4 1.759 2.634 6.602
27 3HG ABA 4 HG23 ABU 4 0.693 1.563 5.694
28 H LEU 5 HN LEU 5 5.312 1.996 3.120
29 HA LEU 5 HA LEU 5 6.557 4.563 3.727
30 1HB LEU 5 HB2 LEU 5 7.462 1.974 4.977
31 2HB LEU 5 HB1 LEU 5 8.436 3.429 4.934
32 HG LEU 5 HG LEU 5 5.729 3.293 6.254
33 1HD1 LEU 5 HD11 LEU 5 8.220 3.391 7.845
34 2HD1 LEU 5 HD12 LEU 5 7.803 1.843 7.105
35 3HD1 LEU 5 HD13 LEU 5 6.671 2.628 8.205
36 1HD2 LEU 5 HD21 LEU 5 7.707 5.225 7.172
37 2HD2 LEU 5 HD22 LEU 5 6.008 5.455 6.750
38 3HD2 LEU 5 HD23 LEU 5 7.240 5.454 5.485
39 HA PRO 6 HA PRO 6 9.760 2.131 1.056
40 1HB PRO 6 HB2 PRO 6 8.475 -0.488 0.600
41 2HB PRO 6 HB1 PRO 6 10.153 -0.112 1.006
42 1HG PRO 6 HG2 PRO 6 8.519 -1.204 2.808
43 2HG PRO 6 HG1 PRO 6 9.711 0.024 3.274
44 1HD PRO 6 HD2 PRO 6 6.766 0.325 2.813
45 2HD PRO 6 HD1 PRO 6 7.780 1.006 4.101
46 H GLY 7 HN GLY 7 9.829 1.589 -1.269
47 1HA GLY 7 HA2 GLY 7 7.296 2.395 -2.548
48 2HA GLY 7 HA1 GLY 7 8.899 2.704 -3.201
49 H GLY 8 HN GLY 8 9.705 -0.105 -2.435
50 1HA GLY 8 HA2 GLY 8 8.233 -1.502 -4.587
51 2HA GLY 8 HA1 GLY 8 9.982 -1.612 -4.429
52 H GLY 9 HN GLY 9 7.932 -3.720 -4.381
53 1HA GLY 9 HA2 GLY 9 7.668 -5.731 -3.293
54 2HA GLY 9 HA1 GLY 9 9.023 -5.274 -2.268
55 H GLY 10 HN GLY 10 8.434 -5.511 -0.220
56 1HA GLY 10 HA2 GLY 10 5.759 -5.265 0.730
57 2HA GLY 10 HA1 GLY 10 7.209 -5.352 1.723
58 H VAL 11 HN VAL 11 4.931 -3.283 0.149
59 HA VAL 11 HA VAL 11 6.409 -0.880 0.694
60 HB VAL 11 HB VAL 11 4.248 0.208 -0.164
61 1HG1 VAL 11 HG11 VAL 11 4.843 -0.375 -2.528
62 2HG1 VAL 11 HG12 VAL 11 5.936 -1.602 -1.892
63 3HG1 VAL 11 HG13 VAL 11 6.221 0.101 -1.533
64 1HG2 VAL 11 HG21 VAL 11 3.668 -2.452 -1.380
65 2HG2 VAL 11 HG22 VAL 11 2.607 -1.064 -1.150
66 3HG2 VAL 11 HG23 VAL 11 3.045 -2.075 0.224
67 H CYS 12 HN CYS 12 4.058 -2.644 2.340
68 HA CYS 12 HA CYS 12 3.139 -2.305 4.418
69 1HB CYS 12 HB2 CYS 12 4.865 -0.980 5.283
70 2HB CYS 12 HB1 CYS 12 4.637 0.266 4.084
71 1HN ABA 13 HN ABU 13 1.012 -2.288 4.354
72 HA ABA 13 HA ABU 13 -0.481 -0.111 3.125
73 2HB ABA 13 HB ABU 13 -1.666 -2.777 3.892
74 1HG ABA 13 HG21 ABU 13 -0.565 -2.255 5.890
75 2HG ABA 13 HG22 ABU 13 -2.205 -1.648 6.118
76 3HG ABA 13 HG23 ABU 13 -0.896 -0.532 5.731
77 H LEU 14 HN LEU 14 0.621 -3.362 2.455
78 HA LEU 14 HA LEU 14 0.397 -2.925 -0.337
79 1HB LEU 14 HB2 LEU 14 2.237 -4.187 0.456
80 2HB LEU 14 HB1 LEU 14 1.199 -5.271 1.362
81 HG LEU 14 HG LEU 14 0.309 -6.139 -0.756
82 1HD1 LEU 14 HD11 LEU 14 2.396 -5.336 -2.514
83 2HD1 LEU 14 HD12 LEU 14 1.637 -3.888 -1.847
84 3HD1 LEU 14 HD13 LEU 14 0.658 -5.093 -2.684
85 1HD2 LEU 14 HD21 LEU 14 1.838 -7.671 -0.201
86 2HD2 LEU 14 HD22 LEU 14 3.027 -6.445 0.236
87 3HD2 LEU 14 HD23 LEU 14 2.844 -6.934 -1.448
88 1HN ABA 15 HN ABU 15 -1.742 -2.648 -0.860
89 HA ABA 15 HA ABU 15 -3.454 -5.032 -0.584
90 2HB ABA 15 HB ABU 15 -4.474 -3.988 -2.822
91 1HG ABA 15 HG21 ABU 15 -2.200 -5.895 -2.413
92 2HG ABA 15 HG22 ABU 15 -2.867 -5.598 -4.020
93 3HG ABA 15 HG23 ABU 15 -3.899 -6.241 -2.742
94 1HN DHA 16 HN DHA 16 -5.776 -4.484 -0.972
95 2HB DHA 16 HB1 DHA 16 -7.674 -2.882 -1.983
96 3HB DHA 16 HB2 DHA 16 -8.540 -1.933 -0.624
97 H GLU 17 HN GLU 17 -5.419 -3.750 1.744
98 HA GLU 17 HA GLU 17 -6.824 -2.651 3.913
99 1HB GLU 17 HB2 GLU 17 -5.317 -4.551 4.157
100 2HB GLU 17 HB1 GLU 17 -3.944 -3.555 3.697
101 1HG GLU 17 HG2 GLU 17 -3.941 -3.884 6.069
102 2HG GLU 17 HG1 GLU 17 -4.289 -2.194 5.715
103 H CYS 18 HN CYS 18 -4.291 -1.376 1.857
104 HA CYS 18 HA CYS 18 -4.672 1.234 3.115
105 1HB CYS 18 HB2 CYS 18 -1.919 0.304 2.437
106 2HB CYS 18 HB1 CYS 18 -2.378 1.720 3.346
107 H ILE 19 HN ILE 19 -2.157 0.160 0.932
108 HA ILE 19 HA ILE 19 -2.364 2.424 -0.614
109 HB ILE 19 HB ILE 19 -0.430 0.662 -0.245
110 1HG1 ILE 19 HG12 ILE 19 -0.369 2.981 -1.307
111 2HG1 ILE 19 HG11 ILE 19 0.897 1.847 -1.767
112 1HG2 ILE 19 HG21 ILE 19 0.089 -0.613 -2.250
113 2HG2 ILE 19 HG22 ILE 19 -1.441 -0.106 -2.969
114 3HG2 ILE 19 HG23 ILE 19 -1.438 -1.129 -1.530
115 1HD1 ILE 19 HD11 ILE 19 -1.157 3.122 -3.376
116 2HD1 ILE 19 HD12 ILE 19 -1.007 1.388 -3.650
117 3HD1 ILE 19 HD13 ILE 19 0.397 2.433 -3.844
118 1HN TEE 20 HN TEA 20 -3.829 -0.656 -1.016
119 HB2 TEE 20 HB2 TEA 20 -4.653 -1.761 -4.537
120 HA TEE 20 HA TEA 20 -5.124 -1.410 -2.294
Start of MODEL 12
1 1H CYS 1 HT1 CYS 1 4.240 3.822 -4.365
2 2H CYS 1 HT2 CYS 1 5.210 5.054 -5.025
3 3H CYS 1 HT3 CYS 1 3.693 4.723 -5.696
4 HA CYS 1 HA CYS 1 3.586 6.708 -4.366
5 1HB CYS 1 HB2 CYS 1 1.811 4.764 -4.492
6 2HB CYS 1 HB1 CYS 1 2.215 4.545 -2.796
7 1HN ABA 2 HN ABU 2 4.495 6.007 -0.615
8 HA ABA 2 HA ABU 2 1.999 5.257 -1.643
9 2HB ABA 2 HB ABU 2 0.869 7.454 -1.567
10 1HG ABA 2 HG21 ABU 2 3.356 8.285 -0.542
11 2HG ABA 2 HG22 ABU 2 1.893 9.242 -0.771
12 3HG ABA 2 HG23 ABU 2 3.096 9.147 -2.057
13 H PHE 3 HN PHE 3 0.487 5.069 -0.067
14 HA PHE 3 HA PHE 3 0.945 6.087 2.592
15 1HB PHE 3 HB2 PHE 3 -1.352 5.525 1.682
16 2HB PHE 3 HB1 PHE 3 -0.897 3.827 1.771
17 HD1 PHE 3 HD1 PHE 3 -1.993 2.798 3.496
18 HD2 PHE 3 HD2 PHE 3 -0.457 6.721 4.088
19 HE1 PHE 3 HE1 PHE 3 -2.728 2.727 5.844
20 HE2 PHE 3 HE2 PHE 3 -1.187 6.659 6.436
21 HZ PHE 3 HZ PHE 3 -2.291 4.661 7.330
22 1HN ABA 4 HN ABU 4 2.392 5.295 3.888
23 HA ABA 4 HA ABU 4 3.344 2.525 3.479
24 2HB ABA 4 HB ABU 4 3.739 2.232 5.766
25 1HG ABA 4 HG21 ABU 4 1.311 2.339 5.303
26 2HG ABA 4 HG22 ABU 4 1.322 4.035 5.788
27 3HG ABA 4 HG23 ABU 4 1.713 2.780 6.964
28 H LEU 5 HN LEU 5 5.663 2.998 5.226
29 HA LEU 5 HA LEU 5 7.086 5.265 4.286
30 1HB LEU 5 HB2 LEU 5 8.094 2.741 5.585
31 2HB LEU 5 HB1 LEU 5 9.092 4.143 5.245
32 HG LEU 5 HG LEU 5 6.742 4.028 7.135
33 1HD1 LEU 5 HD11 LEU 5 9.192 3.111 7.629
34 2HD1 LEU 5 HD12 LEU 5 8.224 3.938 8.849
35 3HD1 LEU 5 HD13 LEU 5 9.472 4.819 7.968
36 1HD2 LEU 5 HD21 LEU 5 8.442 6.400 7.175
37 2HD2 LEU 5 HD22 LEU 5 6.684 6.263 7.229
38 3HD2 LEU 5 HD23 LEU 5 7.526 6.217 5.680
39 HA PRO 6 HA PRO 6 9.378 2.234 1.286
40 1HB PRO 6 HB2 PRO 6 8.127 -0.130 0.734
41 2HB PRO 6 HB1 PRO 6 9.387 0.049 1.958
42 1HG PRO 6 HG2 PRO 6 6.422 -0.047 2.293
43 2HG PRO 6 HG1 PRO 6 7.692 -0.788 3.284
44 1HD PRO 6 HD2 PRO 6 6.423 1.489 4.011
45 2HD PRO 6 HD1 PRO 6 8.117 1.162 4.429
46 H GLY 7 HN GLY 7 9.049 2.105 -0.961
47 1HA GLY 7 HA2 GLY 7 6.346 2.952 -1.804
48 2HA GLY 7 HA1 GLY 7 7.830 3.504 -2.566
49 H GLY 8 HN GLY 8 8.991 0.760 -2.386
50 1HA GLY 8 HA2 GLY 8 7.370 -0.504 -4.508
51 2HA GLY 8 HA1 GLY 8 9.124 -0.430 -4.586
52 H GLY 9 HN GLY 9 7.422 -2.767 -4.632
53 1HA GLY 9 HA2 GLY 9 7.635 -4.927 -3.853
54 2HA GLY 9 HA1 GLY 9 8.888 -4.359 -2.758
55 H GLY 10 HN GLY 10 8.248 -5.361 -0.917
56 1HA GLY 10 HA2 GLY 10 5.549 -5.524 -0.036
57 2HA GLY 10 HA1 GLY 10 6.980 -5.866 0.929
58 H VAL 11 HN VAL 11 4.698 -3.436 -0.053
59 HA VAL 11 HA VAL 11 5.967 -1.449 1.644
60 HB VAL 11 HB VAL 11 4.331 0.141 0.756
61 1HG1 VAL 11 HG11 VAL 11 6.038 -1.490 -1.072
62 2HG1 VAL 11 HG12 VAL 11 6.227 0.182 -0.541
63 3HG1 VAL 11 HG13 VAL 11 5.013 -0.227 -1.755
64 1HG2 VAL 11 HG21 VAL 11 2.527 -1.620 0.428
65 2HG2 VAL 11 HG22 VAL 11 3.348 -2.039 -1.075
66 3HG2 VAL 11 HG23 VAL 11 2.695 -0.417 -0.851
67 H CYS 12 HN CYS 12 4.760 -0.140 2.987
68 HA CYS 12 HA CYS 12 3.197 -1.523 4.916
69 1HB CYS 12 HB2 CYS 12 4.514 0.088 5.859
70 2HB CYS 12 HB1 CYS 12 4.391 1.154 4.479
71 1HN ABA 13 HN ABU 13 1.296 -2.226 3.930
72 HA ABA 13 HA ABU 13 -0.523 -0.075 3.036
73 2HB ABA 13 HB ABU 13 -1.426 -2.851 3.793
74 1HG ABA 13 HG21 ABU 13 -0.423 -2.277 5.800
75 2HG ABA 13 HG22 ABU 13 -2.070 -1.686 6.022
76 3HG ABA 13 HG23 ABU 13 -0.776 -0.561 5.607
77 H LEU 14 HN LEU 14 0.765 -3.270 2.258
78 HA LEU 14 HA LEU 14 0.517 -2.715 -0.508
79 1HB LEU 14 HB2 LEU 14 2.403 -3.943 0.238
80 2HB LEU 14 HB1 LEU 14 1.399 -5.112 1.076
81 HG LEU 14 HG LEU 14 0.572 -5.931 -1.060
82 1HD1 LEU 14 HD11 LEU 14 1.781 -5.255 -3.141
83 2HD1 LEU 14 HD12 LEU 14 2.490 -3.923 -2.228
84 3HD1 LEU 14 HD13 LEU 14 0.744 -4.004 -2.458
85 1HD2 LEU 14 HD21 LEU 14 2.819 -6.849 -1.878
86 2HD2 LEU 14 HD22 LEU 14 2.350 -7.184 -0.212
87 3HD2 LEU 14 HD23 LEU 14 3.527 -5.918 -0.560
88 1HN ABA 15 HN ABU 15 -1.640 -2.481 -1.015
89 HA ABA 15 HA ABU 15 -3.217 -4.972 -0.975
90 2HB ABA 15 HB ABU 15 -4.302 -4.033 -3.079
91 1HG ABA 15 HG21 ABU 15 -1.527 -5.091 -2.828
92 2HG ABA 15 HG22 ABU 15 -2.186 -4.746 -4.426
93 3HG ABA 15 HG23 ABU 15 -2.992 -5.905 -3.370
94 1HN DHA 16 HN DHA 16 -5.536 -4.649 -1.149
95 2HB DHA 16 HB1 DHA 16 -7.671 -3.279 -2.001
96 3HB DHA 16 HB2 DHA 16 -8.575 -2.487 -0.566
97 H GLU 17 HN GLU 17 -5.235 -4.055 1.638
98 HA GLU 17 HA GLU 17 -6.679 -3.103 3.852
99 1HB GLU 17 HB2 GLU 17 -5.056 -4.890 4.062
100 2HB GLU 17 HB1 GLU 17 -3.761 -3.819 3.550
101 1HG GLU 17 HG2 GLU 17 -4.143 -2.464 5.589
102 2HG GLU 17 HG1 GLU 17 -5.328 -3.662 6.111
103 H CYS 18 HN CYS 18 -4.183 -1.612 1.864
104 HA CYS 18 HA CYS 18 -4.772 0.919 3.215
105 1HB CYS 18 HB2 CYS 18 -1.981 0.248 2.391
106 2HB CYS 18 HB1 CYS 18 -2.515 1.607 3.352
107 H ILE 19 HN ILE 19 -2.256 0.254 0.831
108 HA ILE 19 HA ILE 19 -2.858 2.524 -0.557
109 HB ILE 19 HB ILE 19 -1.275 1.900 -2.229
110 1HG1 ILE 19 HG12 ILE 19 -1.271 -0.866 -1.019
111 2HG1 ILE 19 HG11 ILE 19 -2.039 -0.441 -2.546
112 1HG2 ILE 19 HG21 ILE 19 0.364 2.324 -0.803
113 2HG2 ILE 19 HG22 ILE 19 0.245 0.705 -0.116
114 3HG2 ILE 19 HG23 ILE 19 -0.768 2.005 0.510
115 1HD1 ILE 19 HD11 ILE 19 0.225 0.291 -3.351
116 2HD1 ILE 19 HD12 ILE 19 0.037 -1.439 -3.066
117 3HD1 ILE 19 HD13 ILE 19 0.892 -0.440 -1.890
118 1HN TEE 20 HN TEA 20 -4.046 -0.634 -0.977
119 HB2 TEE 20 HB2 TEA 20 -4.914 -2.566 -3.367
120 HA TEE 20 HA TEA 20 -5.292 -1.461 -2.104
Start of MODEL 13
1 1H CYS 1 HT1 CYS 1 4.100 9.177 -0.570
2 2H CYS 1 HT2 CYS 1 4.198 8.026 0.670
3 3H CYS 1 HT3 CYS 1 3.917 9.656 1.049
4 HA CYS 1 HA CYS 1 1.924 8.215 1.181
5 1HB CYS 1 HB2 CYS 1 2.179 10.794 0.463
6 2HB CYS 1 HB1 CYS 1 1.415 10.177 -0.998
7 1HN ABA 2 HN ABU 2 0.705 6.328 -1.614
8 HA ABA 2 HA ABU 2 -1.020 6.442 -0.173
9 2HB ABA 2 HB ABU 2 -1.085 8.622 1.309
10 1HG ABA 2 HG21 ABU 2 -2.256 7.830 -1.008
11 2HG ABA 2 HG22 ABU 2 -1.463 9.322 -1.515
12 3HG ABA 2 HG23 ABU 2 -2.611 9.344 -0.175
13 H PHE 3 HN PHE 3 -1.618 6.006 1.972
14 HA PHE 3 HA PHE 3 0.129 6.281 4.174
15 1HB PHE 3 HB2 PHE 3 -2.372 6.051 4.306
16 2HB PHE 3 HB1 PHE 3 -2.178 4.341 3.928
17 HD1 PHE 3 HD1 PHE 3 -2.648 3.103 5.807
18 HD2 PHE 3 HD2 PHE 3 -0.307 6.634 6.203
19 HE1 PHE 3 HE1 PHE 3 -2.313 2.609 8.196
20 HE2 PHE 3 HE2 PHE 3 0.033 6.147 8.589
21 HZ PHE 3 HZ PHE 3 -0.978 4.141 9.592
22 1HN ABA 4 HN ABU 4 2.053 5.352 4.107
23 HA ABA 4 HA ABU 4 2.432 2.671 3.042
24 2HB ABA 4 HB ABU 4 3.737 2.165 5.303
25 1HG ABA 4 HG21 ABU 4 1.412 3.553 6.545
26 2HG ABA 4 HG22 ABU 4 2.844 4.504 6.151
27 3HG ABA 4 HG23 ABU 4 2.975 3.125 7.243
28 H LEU 5 HN LEU 5 4.676 3.852 5.407
29 HA LEU 5 HA LEU 5 6.052 5.754 3.967
30 1HB LEU 5 HB2 LEU 5 7.098 3.872 6.076
31 2HB LEU 5 HB1 LEU 5 7.958 5.286 5.497
32 HG LEU 5 HG LEU 5 5.280 5.344 6.891
33 1HD1 LEU 5 HD11 LEU 5 7.444 4.689 8.183
34 2HD1 LEU 5 HD12 LEU 5 6.348 5.895 8.857
35 3HD1 LEU 5 HD13 LEU 5 7.823 6.405 8.037
36 1HD2 LEU 5 HD21 LEU 5 5.215 7.579 6.578
37 2HD2 LEU 5 HD22 LEU 5 6.189 7.184 5.161
38 3HD2 LEU 5 HD23 LEU 5 6.969 7.750 6.639
39 HA PRO 6 HA PRO 6 9.288 2.472 2.463
40 1HB PRO 6 HB2 PRO 6 8.399 -0.121 2.302
41 2HB PRO 6 HB1 PRO 6 9.340 0.523 3.651
42 1HG PRO 6 HG2 PRO 6 6.385 0.116 3.421
43 2HG PRO 6 HG1 PRO 6 7.460 -0.204 4.797
44 1HD PRO 6 HD2 PRO 6 5.904 1.985 4.694
45 2HD PRO 6 HD1 PRO 6 7.520 2.020 5.428
46 H GLY 7 HN GLY 7 9.564 1.911 0.305
47 1HA GLY 7 HA2 GLY 7 7.188 1.441 -1.337
48 2HA GLY 7 HA1 GLY 7 8.084 2.924 -1.629
49 H GLY 8 HN GLY 8 9.085 -0.430 -0.951
50 1HA GLY 8 HA2 GLY 8 10.645 -0.325 -3.469
51 2HA GLY 8 HA1 GLY 8 11.279 -1.042 -1.995
52 H GLY 9 HN GLY 9 7.980 -1.382 -3.173
53 1HA GLY 9 HA2 GLY 9 7.344 -3.324 -4.552
54 2HA GLY 9 HA1 GLY 9 8.557 -4.243 -3.670
55 H GLY 10 HN GLY 10 8.154 -4.868 -1.532
56 1HA GLY 10 HA2 GLY 10 5.367 -5.247 -0.864
57 2HA GLY 10 HA1 GLY 10 6.755 -5.770 0.085
58 H VAL 11 HN VAL 11 4.586 -3.145 -0.619
59 HA VAL 11 HA VAL 11 5.884 -1.371 1.264
60 HB VAL 11 HB VAL 11 4.103 0.253 0.660
61 1HG1 VAL 11 HG11 VAL 11 4.900 0.712 -1.544
62 2HG1 VAL 11 HG12 VAL 11 5.351 -0.972 -1.803
63 3HG1 VAL 11 HG13 VAL 11 6.239 0.009 -0.638
64 1HG2 VAL 11 HG21 VAL 11 2.821 -2.109 -0.315
65 2HG2 VAL 11 HG22 VAL 11 3.023 -0.970 -1.647
66 3HG2 VAL 11 HG23 VAL 11 2.182 -0.472 -0.179
67 H CYS 12 HN CYS 12 4.706 -0.209 2.789
68 HA CYS 12 HA CYS 12 3.172 -1.856 4.559
69 1HB CYS 12 HB2 CYS 12 4.485 -0.442 5.759
70 2HB CYS 12 HB1 CYS 12 4.442 0.813 4.542
71 1HN ABA 13 HN ABU 13 1.282 -2.366 3.585
72 HA ABA 13 HA ABU 13 -0.351 -0.160 2.573
73 2HB ABA 13 HB ABU 13 -1.750 -2.669 3.325
74 1HG ABA 13 HG21 ABU 13 -0.512 -0.842 5.337
75 2HG ABA 13 HG22 ABU 13 -0.668 -2.599 5.357
76 3HG ABA 13 HG23 ABU 13 -2.075 -1.587 5.676
77 H LEU 14 HN LEU 14 0.895 -3.396 2.216
78 HA LEU 14 HA LEU 14 0.571 -3.274 -0.607
79 1HB LEU 14 HB2 LEU 14 2.520 -4.341 0.289
80 2HB LEU 14 HB1 LEU 14 1.547 -5.408 1.285
81 HG LEU 14 HG LEU 14 0.661 -6.428 -0.784
82 1HD1 LEU 14 HD11 LEU 14 2.812 -5.674 -2.519
83 2HD1 LEU 14 HD12 LEU 14 1.920 -4.242 -2.010
84 3HD1 LEU 14 HD13 LEU 14 1.072 -5.574 -2.793
85 1HD2 LEU 14 HD21 LEU 14 2.661 -7.244 0.590
86 2HD2 LEU 14 HD22 LEU 14 3.648 -6.641 -0.742
87 3HD2 LEU 14 HD23 LEU 14 2.452 -7.905 -1.033
88 1HN ABA 15 HN ABU 15 -1.755 -2.938 -0.439
89 HA ABA 15 HA ABU 15 -3.368 -5.220 0.307
90 2HB ABA 15 HB ABU 15 -4.534 -4.837 -2.092
91 1HG ABA 15 HG21 ABU 15 -2.339 -6.741 -2.275
92 2HG ABA 15 HG22 ABU 15 -4.082 -7.004 -2.320
93 3HG ABA 15 HG23 ABU 15 -3.253 -6.850 -0.771
94 1HN DHA 16 HN DHA 16 -5.734 -4.478 -0.765
95 2HB DHA 16 HB1 DHA 16 -6.995 -2.578 -2.227
96 3HB DHA 16 HB2 DHA 16 -7.865 -1.358 -1.113
97 H GLU 17 HN GLU 17 -5.486 -3.434 1.894
98 HA GLU 17 HA GLU 17 -7.104 -2.108 3.775
99 1HB GLU 17 HB2 GLU 17 -5.551 -4.058 4.218
100 2HB GLU 17 HB1 GLU 17 -4.210 -2.933 4.113
101 1HG GLU 17 HG2 GLU 17 -4.699 -3.310 6.407
102 2HG GLU 17 HG1 GLU 17 -5.178 -1.666 5.999
103 H CYS 18 HN CYS 18 -4.149 -1.233 2.088
104 HA CYS 18 HA CYS 18 -4.530 1.528 3.026
105 1HB CYS 18 HB2 CYS 18 -1.793 0.647 2.349
106 2HB CYS 18 HB1 CYS 18 -2.307 1.873 3.463
107 H ILE 19 HN ILE 19 -2.031 0.248 0.969
108 HA ILE 19 HA ILE 19 -2.414 2.189 -0.999
109 HB ILE 19 HB ILE 19 -0.715 -0.286 -0.906
110 1HG1 ILE 19 HG12 ILE 19 -0.089 1.389 0.694
111 2HG1 ILE 19 HG11 ILE 19 1.093 1.404 -0.616
112 1HG2 ILE 19 HG21 ILE 19 -0.316 1.898 -2.903
113 2HG2 ILE 19 HG22 ILE 19 -1.319 0.491 -3.263
114 3HG2 ILE 19 HG23 ILE 19 0.386 0.281 -2.861
115 1HD1 ILE 19 HD11 ILE 19 -0.843 3.191 -1.412
116 2HD1 ILE 19 HD12 ILE 19 0.747 3.578 -0.750
117 3HD1 ILE 19 HD13 ILE 19 -0.657 3.486 0.315
118 1HN TEE 20 HN TEA 20 -2.328 -1.252 -1.691
119 HB2 TEE 20 HB2 TEA 20 -4.204 -3.577 -3.326
120 HA TEE 20 HA TEA 20 -3.958 -1.601 -1.969
Start of MODEL 14
1 1H CYS 1 HT1 CYS 1 2.968 8.494 -2.251
2 2H CYS 1 HT2 CYS 1 3.163 7.312 -1.047
3 3H CYS 1 HT3 CYS 1 2.467 8.809 -0.659
4 HA CYS 1 HA CYS 1 0.699 7.338 -0.772
5 1HB CYS 1 HB2 CYS 1 0.276 9.443 -1.902
6 2HB CYS 1 HB1 CYS 1 0.962 8.812 -3.396
7 1HN ABA 2 HN ABU 2 0.443 4.452 -2.771
8 HA ABA 2 HA ABU 2 -1.453 4.663 -1.557
9 2HB ABA 2 HB ABU 2 -1.809 7.212 -0.662
10 1HG ABA 2 HG21 ABU 2 -2.530 5.989 -3.317
11 2HG ABA 2 HG22 ABU 2 -3.205 7.506 -2.724
12 3HG ABA 2 HG23 ABU 2 -3.489 6.007 -1.837
13 H PHE 3 HN PHE 3 -2.110 4.585 0.573
14 HA PHE 3 HA PHE 3 -0.541 5.587 2.731
15 1HB PHE 3 HB2 PHE 3 -3.000 5.039 2.845
16 2HB PHE 3 HB1 PHE 3 -2.556 3.336 2.835
17 HD1 PHE 3 HD1 PHE 3 -3.012 2.478 4.920
18 HD2 PHE 3 HD2 PHE 3 -1.092 6.263 4.625
19 HE1 PHE 3 HE1 PHE 3 -2.761 2.536 7.365
20 HE2 PHE 3 HE2 PHE 3 -0.833 6.325 7.073
21 HZ PHE 3 HZ PHE 3 -1.670 4.461 8.445
22 1HN ABA 4 HN ABU 4 1.452 4.915 3.018
23 HA ABA 4 HA ABU 4 2.202 2.159 2.383
24 2HB ABA 4 HB ABU 4 2.135 1.556 4.567
25 1HG ABA 4 HG21 ABU 4 2.604 3.786 6.219
26 2HG ABA 4 HG22 ABU 4 1.081 2.937 5.951
27 3HG ABA 4 HG23 ABU 4 1.503 4.324 4.950
28 H LEU 5 HN LEU 5 4.282 4.061 4.399
29 HA LEU 5 HA LEU 5 5.405 5.771 2.519
30 1HB LEU 5 HB2 LEU 5 6.513 4.637 5.070
31 2HB LEU 5 HB1 LEU 5 7.447 5.735 4.074
32 HG LEU 5 HG LEU 5 5.504 7.368 4.301
33 1HD1 LEU 5 HD11 LEU 5 3.711 6.128 5.085
34 2HD1 LEU 5 HD12 LEU 5 4.279 6.962 6.531
35 3HD1 LEU 5 HD13 LEU 5 4.694 5.268 6.270
36 1HD2 LEU 5 HD21 LEU 5 7.594 7.709 5.441
37 2HD2 LEU 5 HD22 LEU 5 7.130 6.576 6.710
38 3HD2 LEU 5 HD23 LEU 5 6.265 8.103 6.533
39 HA PRO 6 HA PRO 6 8.947 2.595 1.668
40 1HB PRO 6 HB2 PRO 6 7.877 -0.011 2.484
41 2HB PRO 6 HB1 PRO 6 9.436 0.724 2.863
42 1HG PRO 6 HG2 PRO 6 7.509 0.411 4.717
43 2HG PRO 6 HG1 PRO 6 8.626 1.787 4.737
44 1HD PRO 6 HD2 PRO 6 5.788 1.662 3.785
45 2HD PRO 6 HD1 PRO 6 6.605 2.924 4.727
46 H GLY 7 HN GLY 7 8.109 3.119 -0.393
47 1HA GLY 7 HA2 GLY 7 6.190 1.211 -1.536
48 2HA GLY 7 HA1 GLY 7 6.570 2.800 -2.184
49 H GLY 8 HN GLY 8 7.725 -0.483 -1.802
50 1HA GLY 8 HA2 GLY 8 8.888 -0.501 -4.401
51 2HA GLY 8 HA1 GLY 8 10.125 -0.388 -3.153
52 H GLY 9 HN GLY 9 7.531 -2.338 -4.459
53 1HA GLY 9 HA2 GLY 9 7.231 -4.631 -4.447
54 2HA GLY 9 HA1 GLY 9 8.812 -4.790 -3.692
55 H GLY 10 HN GLY 10 8.996 -4.732 -1.457
56 1HA GLY 10 HA2 GLY 10 6.701 -5.607 0.046
57 2HA GLY 10 HA1 GLY 10 8.303 -5.265 0.685
58 H VAL 11 HN VAL 11 5.129 -4.057 0.181
59 HA VAL 11 HA VAL 11 5.962 -1.408 1.169
60 HB VAL 11 HB VAL 11 3.896 -0.486 0.225
61 1HG1 VAL 11 HG11 VAL 11 4.467 -1.312 -2.281
62 2HG1 VAL 11 HG12 VAL 11 5.928 -1.837 -1.447
63 3HG1 VAL 11 HG13 VAL 11 5.442 -0.142 -1.392
64 1HG2 VAL 11 HG21 VAL 11 2.672 -2.741 0.416
65 2HG2 VAL 11 HG22 VAL 11 3.385 -3.108 -1.156
66 3HG2 VAL 11 HG23 VAL 11 2.316 -1.717 -0.977
67 H CYS 12 HN CYS 12 4.735 -0.325 2.559
68 HA CYS 12 HA CYS 12 3.332 -1.860 4.562
69 1HB CYS 12 HB2 CYS 12 4.549 -0.250 5.610
70 2HB CYS 12 HB1 CYS 12 4.500 0.833 4.240
71 1HN ABA 13 HN ABU 13 1.115 -1.896 4.759
72 HA ABA 13 HA ABU 13 -0.601 -0.120 3.258
73 2HB ABA 13 HB ABU 13 -1.393 -2.792 4.443
74 1HG ABA 13 HG21 ABU 13 -0.819 -0.202 5.784
75 2HG ABA 13 HG22 ABU 13 -0.608 -1.852 6.368
76 3HG ABA 13 HG23 ABU 13 -2.215 -1.126 6.340
77 H LEU 14 HN LEU 14 0.294 -3.565 2.986
78 HA LEU 14 HA LEU 14 0.582 -3.364 0.195
79 1HB LEU 14 HB2 LEU 14 1.969 -4.860 1.384
80 2HB LEU 14 HB1 LEU 14 0.601 -5.646 2.146
81 HG LEU 14 HG LEU 14 -0.053 -6.526 -0.074
82 1HD1 LEU 14 HD11 LEU 14 1.132 -6.195 -1.985
83 2HD1 LEU 14 HD12 LEU 14 2.662 -5.991 -1.133
84 3HD1 LEU 14 HD13 LEU 14 1.494 -4.669 -1.179
85 1HD2 LEU 14 HD21 LEU 14 1.782 -8.220 -0.161
86 2HD2 LEU 14 HD22 LEU 14 1.100 -7.960 1.444
87 3HD2 LEU 14 HD23 LEU 14 2.655 -7.247 1.023
88 1HN ABA 15 HN ABU 15 -1.352 -2.724 -0.701
89 HA ABA 15 HA ABU 15 -3.349 -4.869 -0.954
90 2HB ABA 15 HB ABU 15 -3.999 -3.698 -3.074
91 1HG ABA 15 HG21 ABU 15 -1.090 -4.455 -3.041
92 2HG ABA 15 HG22 ABU 15 -2.261 -4.683 -4.340
93 3HG ABA 15 HG23 ABU 15 -2.387 -5.634 -2.860
94 1HN DHA 16 HN DHA 16 -5.565 -4.244 -1.182
95 2HB DHA 16 HB1 DHA 16 -7.378 -2.538 -2.178
96 3HB DHA 16 HB2 DHA 16 -8.268 -1.629 -0.810
97 H GLU 17 HN GLU 17 -5.328 -3.677 1.605
98 HA GLU 17 HA GLU 17 -6.801 -2.634 3.760
99 1HB GLU 17 HB2 GLU 17 -5.300 -4.581 3.920
100 2HB GLU 17 HB1 GLU 17 -3.914 -3.539 3.644
101 1HG GLU 17 HG2 GLU 17 -4.352 -2.380 5.734
102 2HG GLU 17 HG1 GLU 17 -5.766 -3.399 6.009
103 H CYS 18 HN CYS 18 -4.050 -1.409 1.942
104 HA CYS 18 HA CYS 18 -4.475 1.184 3.232
105 1HB CYS 18 HB2 CYS 18 -1.731 0.116 2.618
106 2HB CYS 18 HB1 CYS 18 -2.113 1.645 3.365
107 H ILE 19 HN ILE 19 -1.881 0.373 1.054
108 HA ILE 19 HA ILE 19 -2.110 2.547 -0.495
109 HB ILE 19 HB ILE 19 -0.179 0.941 -0.364
110 1HG1 ILE 19 HG12 ILE 19 -1.086 2.068 -3.009
111 2HG1 ILE 19 HG11 ILE 19 -0.021 2.807 -1.818
112 1HG2 ILE 19 HG21 ILE 19 -0.848 -0.469 -2.797
113 2HG2 ILE 19 HG22 ILE 19 -1.977 -0.854 -1.497
114 3HG2 ILE 19 HG23 ILE 19 -0.245 -1.093 -1.262
115 1HD1 ILE 19 HD11 ILE 19 1.294 2.057 -3.660
116 2HD1 ILE 19 HD12 ILE 19 0.579 0.446 -3.573
117 3HD1 ILE 19 HD13 ILE 19 1.632 1.016 -2.277
118 1HN TEE 20 HN TEA 20 -3.777 -0.443 -0.950
119 HB2 TEE 20 HB2 TEA 20 -5.223 -2.285 -2.727
120 HA TEE 20 HA TEA 20 -4.590 -1.099 -2.259
Start of MODEL 15
1 1H CYS 1 HT1 CYS 1 5.791 7.865 1.044
2 2H CYS 1 HT2 CYS 1 4.882 9.194 1.579
3 3H CYS 1 HT3 CYS 1 5.870 9.339 0.208
4 HA CYS 1 HA CYS 1 3.288 7.995 0.528
5 1HB CYS 1 HB2 CYS 1 3.342 10.248 -0.384
6 2HB CYS 1 HB1 CYS 1 4.515 9.758 -1.601
7 1HN ABA 2 HN ABU 2 3.772 5.366 -1.761
8 HA ABA 2 HA ABU 2 1.562 5.546 -1.320
9 2HB ABA 2 HB ABU 2 0.807 7.946 -0.433
10 1HG ABA 2 HG21 ABU 2 0.378 8.549 -2.746
11 2HG ABA 2 HG22 ABU 2 0.086 6.829 -2.495
12 3HG ABA 2 HG23 ABU 2 1.566 7.367 -3.291
13 H PHE 3 HN PHE 3 0.133 5.318 0.387
14 HA PHE 3 HA PHE 3 0.770 6.071 3.062
15 1HB PHE 3 HB2 PHE 3 -1.554 5.604 2.178
16 2HB PHE 3 HB1 PHE 3 -1.138 3.894 2.191
17 HD1 PHE 3 HD1 PHE 3 -2.258 2.835 3.884
18 HD2 PHE 3 HD2 PHE 3 -0.554 6.661 4.622
19 HE1 PHE 3 HE1 PHE 3 -2.939 2.678 6.243
20 HE2 PHE 3 HE2 PHE 3 -1.231 6.512 6.983
21 HZ PHE 3 HZ PHE 3 -2.440 4.527 7.792
22 1HN ABA 4 HN ABU 4 2.448 5.268 4.070
23 HA ABA 4 HA ABU 4 3.263 2.492 3.565
24 2HB ABA 4 HB ABU 4 3.568 1.961 5.831
25 1HG ABA 4 HG21 ABU 4 1.490 2.247 6.919
26 2HG ABA 4 HG22 ABU 4 1.130 2.232 5.191
27 3HG ABA 4 HG23 ABU 4 1.170 3.761 6.075
28 H LEU 5 HN LEU 5 5.360 3.133 5.783
29 HA LEU 5 HA LEU 5 6.841 5.332 4.782
30 1HB LEU 5 HB2 LEU 5 7.700 3.106 6.618
31 2HB LEU 5 HB1 LEU 5 8.629 4.559 6.299
32 HG LEU 5 HG LEU 5 5.903 4.474 7.602
33 1HD1 LEU 5 HD11 LEU 5 8.232 3.747 8.748
34 2HD1 LEU 5 HD12 LEU 5 6.899 4.507 9.617
35 3HD1 LEU 5 HD13 LEU 5 8.256 5.484 9.049
36 1HD2 LEU 5 HD21 LEU 5 7.747 6.732 6.874
37 2HD2 LEU 5 HD22 LEU 5 6.522 6.885 8.132
38 3HD2 LEU 5 HD23 LEU 5 6.041 6.531 6.473
39 HA PRO 6 HA PRO 6 9.887 2.004 2.925
40 1HB PRO 6 HB2 PRO 6 8.672 -0.376 2.242
41 2HB PRO 6 HB1 PRO 6 9.632 -0.128 3.704
42 1HG PRO 6 HG2 PRO 6 6.666 -0.083 3.348
43 2HG PRO 6 HG1 PRO 6 7.627 -0.784 4.663
44 1HD PRO 6 HD2 PRO 6 6.371 1.568 4.953
45 2HD PRO 6 HD1 PRO 6 7.964 1.277 5.685
46 H GLY 7 HN GLY 7 10.254 2.034 0.759
47 1HA GLY 7 HA2 GLY 7 7.894 2.292 -1.000
48 2HA GLY 7 HA1 GLY 7 9.252 3.400 -1.115
49 H GLY 8 HN GLY 8 8.101 0.189 -1.794
50 1HA GLY 8 HA2 GLY 8 9.663 -0.146 -4.072
51 2HA GLY 8 HA1 GLY 8 10.520 -0.927 -2.749
52 H GLY 9 HN GLY 9 10.210 -2.949 -3.827
53 1HA GLY 9 HA2 GLY 9 7.559 -3.987 -4.244
54 2HA GLY 9 HA1 GLY 9 9.058 -4.899 -4.302
55 H GLY 10 HN GLY 10 6.428 -3.832 -2.329
56 1HA GLY 10 HA2 GLY 10 5.734 -5.386 -0.530
57 2HA GLY 10 HA1 GLY 10 7.444 -5.524 -0.129
58 H VAL 11 HN VAL 11 4.771 -3.244 -0.338
59 HA VAL 11 HA VAL 11 6.176 -1.489 1.559
60 HB VAL 11 HB VAL 11 4.550 0.264 0.866
61 1HG1 VAL 11 HG11 VAL 11 6.387 -1.033 -1.114
62 2HG1 VAL 11 HG12 VAL 11 6.593 0.468 -0.209
63 3HG1 VAL 11 HG13 VAL 11 5.458 0.398 -1.559
64 1HG2 VAL 11 HG21 VAL 11 3.781 -1.500 -1.440
65 2HG2 VAL 11 HG22 VAL 11 3.002 -0.031 -0.850
66 3HG2 VAL 11 HG23 VAL 11 2.866 -1.530 0.068
67 H CYS 12 HN CYS 12 4.840 -0.222 2.913
68 HA CYS 12 HA CYS 12 3.164 -1.725 4.656
69 1HB CYS 12 HB2 CYS 12 4.356 -0.088 5.731
70 2HB CYS 12 HB1 CYS 12 4.271 1.018 4.379
71 1HN ABA 13 HN ABU 13 0.921 -1.733 4.713
72 HA ABA 13 HA ABU 13 -0.658 0.098 3.139
73 2HB ABA 13 HB ABU 13 -1.655 -2.545 4.214
74 1HG ABA 13 HG21 ABU 13 -0.564 -1.561 6.096
75 2HG ABA 13 HG22 ABU 13 -2.298 -1.288 6.281
76 3HG ABA 13 HG23 ABU 13 -1.250 0.024 5.736
77 H LEU 14 HN LEU 14 0.456 -3.234 2.848
78 HA LEU 14 HA LEU 14 0.491 -3.068 0.032
79 1HB LEU 14 HB2 LEU 14 2.159 -4.359 1.112
80 2HB LEU 14 HB1 LEU 14 0.967 -5.284 2.007
81 HG LEU 14 HG LEU 14 0.202 -6.238 -0.169
82 1HD1 LEU 14 HD11 LEU 14 1.281 -4.368 -1.513
83 2HD1 LEU 14 HD12 LEU 14 1.462 -6.009 -2.137
84 3HD1 LEU 14 HD13 LEU 14 2.800 -5.236 -1.287
85 1HD2 LEU 14 HD21 LEU 14 1.400 -7.871 0.776
86 2HD2 LEU 14 HD22 LEU 14 2.689 -6.768 1.260
87 3HD2 LEU 14 HD23 LEU 14 2.656 -7.425 -0.376
88 1HN ABA 15 HN ABU 15 -1.565 -2.758 -0.759
89 HA ABA 15 HA ABU 15 -3.314 -5.121 -0.575
90 2HB ABA 15 HB ABU 15 -4.125 -4.344 -2.879
91 1HG ABA 15 HG21 ABU 15 -3.023 -6.232 -3.271
92 2HG ABA 15 HG22 ABU 15 -1.841 -5.880 -2.011
93 3HG ABA 15 HG23 ABU 15 -1.606 -5.250 -3.642
94 1HN DHA 16 HN DHA 16 -5.569 -4.706 -1.053
95 2HB DHA 16 HB1 DHA 16 -7.535 -3.271 -2.181
96 3HB DHA 16 HB2 DHA 16 -8.514 -2.349 -0.880
97 H GLU 17 HN GLU 17 -5.392 -3.895 1.660
98 HA GLU 17 HA GLU 17 -6.956 -2.824 3.733
99 1HB GLU 17 HB2 GLU 17 -5.219 -4.616 3.961
100 2HB GLU 17 HB1 GLU 17 -3.982 -3.384 3.764
101 1HG GLU 17 HG2 GLU 17 -4.189 -3.849 6.078
102 2HG GLU 17 HG1 GLU 17 -4.877 -2.253 5.790
103 H CYS 18 HN CYS 18 -4.401 -1.460 1.765
104 HA CYS 18 HA CYS 18 -4.966 1.168 2.913
105 1HB CYS 18 HB2 CYS 18 -2.155 0.277 2.430
106 2HB CYS 18 HB1 CYS 18 -2.680 1.749 3.209
107 H ILE 19 HN ILE 19 -2.235 0.259 0.936
108 HA ILE 19 HA ILE 19 -2.571 2.426 -0.713
109 HB ILE 19 HB ILE 19 -0.488 0.918 -0.205
110 1HG1 ILE 19 HG12 ILE 19 -0.575 3.138 -1.403
111 2HG1 ILE 19 HG11 ILE 19 0.757 2.077 -1.845
112 1HG2 ILE 19 HG21 ILE 19 -0.263 -0.959 -1.336
113 2HG2 ILE 19 HG22 ILE 19 -0.292 -0.050 -2.846
114 3HG2 ILE 19 HG23 ILE 19 -1.795 -0.660 -2.156
115 1HD1 ILE 19 HD11 ILE 19 -1.664 1.850 -3.486
116 2HD1 ILE 19 HD12 ILE 19 0.035 1.834 -3.950
117 3HD1 ILE 19 HD13 ILE 19 -0.773 3.365 -3.617
118 1HN TEE 20 HN TEA 20 -3.670 -0.807 -1.080
119 HB2 TEE 20 HB2 TEA 20 -4.406 -1.807 -4.759
120 HA TEE 20 HA TEA 20 -5.057 -1.706 -2.427
Start of MODEL 16
1 1H CYS 1 HT1 CYS 1 5.839 6.343 -0.146
2 2H CYS 1 HT2 CYS 1 5.393 7.960 -0.401
3 3H CYS 1 HT3 CYS 1 6.269 7.120 -1.589
4 HA CYS 1 HA CYS 1 3.476 6.663 -0.738
5 1HB CYS 1 HB2 CYS 1 3.764 8.480 -2.323
6 2HB CYS 1 HB1 CYS 1 4.745 7.455 -3.366
7 1HN ABA 2 HN ABU 2 3.333 3.433 -2.135
8 HA ABA 2 HA ABU 2 1.224 4.111 -1.671
9 2HB ABA 2 HB ABU 2 1.193 6.879 -1.429
10 1HG ABA 2 HG21 ABU 2 -0.235 5.120 -2.736
11 2HG ABA 2 HG22 ABU 2 0.815 5.567 -4.082
12 3HG ABA 2 HG23 ABU 2 -0.168 6.796 -3.284
13 H PHE 3 HN PHE 3 -0.034 4.624 0.109
14 HA PHE 3 HA PHE 3 0.895 5.931 2.444
15 1HB PHE 3 HB2 PHE 3 -1.494 5.642 2.024
16 2HB PHE 3 HB1 PHE 3 -1.313 3.891 2.069
17 HD1 PHE 3 HD1 PHE 3 -2.088 2.896 3.968
18 HD2 PHE 3 HD2 PHE 3 -0.390 6.785 4.251
19 HE1 PHE 3 HE1 PHE 3 -2.525 2.902 6.386
20 HE2 PHE 3 HE2 PHE 3 -0.823 6.798 6.671
21 HZ PHE 3 HZ PHE 3 -1.889 4.855 7.742
22 1HN ABA 4 HN ABU 4 2.660 5.233 3.436
23 HA ABA 4 HA ABU 4 3.377 2.442 3.417
24 2HB ABA 4 HB ABU 4 2.172 2.182 5.402
25 1HG ABA 4 HG21 ABU 4 3.088 4.936 6.219
26 2HG ABA 4 HG22 ABU 4 2.183 3.838 7.260
27 3HG ABA 4 HG23 ABU 4 1.456 4.446 5.772
28 H LEU 5 HN LEU 5 5.304 2.903 5.675
29 HA LEU 5 HA LEU 5 6.901 5.153 5.019
30 1HB LEU 5 HB2 LEU 5 7.629 2.625 6.497
31 2HB LEU 5 HB1 LEU 5 8.656 4.042 6.384
32 HG LEU 5 HG LEU 5 5.932 3.967 7.684
33 1HD1 LEU 5 HD11 LEU 5 6.914 3.358 9.575
34 2HD1 LEU 5 HD12 LEU 5 8.145 4.609 9.404
35 3HD1 LEU 5 HD13 LEU 5 8.377 3.034 8.646
36 1HD2 LEU 5 HD21 LEU 5 7.339 6.190 8.550
37 2HD2 LEU 5 HD22 LEU 5 5.985 6.175 7.420
38 3HD2 LEU 5 HD23 LEU 5 7.641 6.133 6.814
39 HA PRO 6 HA PRO 6 9.764 2.042 2.631
40 1HB PRO 6 HB2 PRO 6 8.576 -0.253 1.737
41 2HB PRO 6 HB1 PRO 6 9.508 -0.147 3.234
42 1HG PRO 6 HG2 PRO 6 6.548 -0.074 2.832
43 2HG PRO 6 HG1 PRO 6 7.489 -0.911 4.080
44 1HD PRO 6 HD2 PRO 6 6.215 1.412 4.564
45 2HD PRO 6 HD1 PRO 6 7.760 1.005 5.337
46 H GLY 7 HN GLY 7 10.044 2.056 0.389
47 1HA GLY 7 HA2 GLY 7 7.630 2.701 -1.190
48 2HA GLY 7 HA1 GLY 7 9.117 3.623 -1.355
49 H GLY 8 HN GLY 8 9.097 0.162 -0.882
50 1HA GLY 8 HA2 GLY 8 10.072 -0.140 -3.655
51 2HA GLY 8 HA1 GLY 8 10.667 -1.086 -2.298
52 H GLY 9 HN GLY 9 10.117 -3.109 -2.822
53 1HA GLY 9 HA2 GLY 9 7.683 -3.807 -4.138
54 2HA GLY 9 HA1 GLY 9 8.825 -4.924 -3.408
55 H GLY 10 HN GLY 10 8.649 -5.383 -1.155
56 1HA GLY 10 HA2 GLY 10 5.946 -5.594 -0.245
57 2HA GLY 10 HA1 GLY 10 7.385 -6.059 0.651
58 H VAL 11 HN VAL 11 5.103 -3.535 -0.010
59 HA VAL 11 HA VAL 11 6.431 -1.779 1.932
60 HB VAL 11 HB VAL 11 4.926 0.003 1.050
61 1HG1 VAL 11 HG11 VAL 11 6.956 0.235 0.065
62 2HG1 VAL 11 HG12 VAL 11 6.019 -0.171 -1.374
63 3HG1 VAL 11 HG13 VAL 11 6.970 -1.414 -0.562
64 1HG2 VAL 11 HG21 VAL 11 3.260 -1.791 0.188
65 2HG2 VAL 11 HG22 VAL 11 4.285 -1.814 -1.249
66 3HG2 VAL 11 HG23 VAL 11 3.495 -0.316 -0.750
67 H CYS 12 HN CYS 12 4.685 -0.201 2.791
68 HA CYS 12 HA CYS 12 3.018 -1.736 4.585
69 1HB CYS 12 HB2 CYS 12 4.118 -0.118 5.753
70 2HB CYS 12 HB1 CYS 12 4.195 0.975 4.392
71 1HN ABA 13 HN ABU 13 0.788 -1.614 4.610
72 HA ABA 13 HA ABU 13 -0.772 0.154 3.037
73 2HB ABA 13 HB ABU 13 -1.657 -2.625 3.815
74 1HG ABA 13 HG21 ABU 13 -0.877 -1.980 5.883
75 2HG ABA 13 HG22 ABU 13 -2.514 -1.324 5.931
76 3HG ABA 13 HG23 ABU 13 -1.148 -0.262 5.574
77 H LEU 14 HN LEU 14 0.697 -2.964 2.382
78 HA LEU 14 HA LEU 14 0.537 -2.494 -0.408
79 1HB LEU 14 HB2 LEU 14 2.460 -3.586 0.406
80 2HB LEU 14 HB1 LEU 14 1.516 -4.767 1.293
81 HG LEU 14 HG LEU 14 0.743 -5.684 -0.878
82 1HD1 LEU 14 HD11 LEU 14 3.009 -4.334 -2.245
83 2HD1 LEU 14 HD12 LEU 14 1.506 -3.436 -2.038
84 3HD1 LEU 14 HD13 LEU 14 1.505 -4.971 -2.911
85 1HD2 LEU 14 HD21 LEU 14 2.680 -7.004 -1.231
86 2HD2 LEU 14 HD22 LEU 14 2.672 -6.576 0.482
87 3HD2 LEU 14 HD23 LEU 14 3.740 -5.727 -0.637
88 1HN ABA 15 HN ABU 15 -1.692 -2.363 -0.841
89 HA ABA 15 HA ABU 15 -3.079 -4.960 -0.804
90 2HB ABA 15 HB ABU 15 -4.180 -4.113 -2.977
91 1HG ABA 15 HG21 ABU 15 -1.281 -4.897 -3.133
92 2HG ABA 15 HG22 ABU 15 -2.586 -5.320 -4.239
93 3HG ABA 15 HG23 ABU 15 -2.551 -6.005 -2.615
94 1HN DHA 16 HN DHA 16 -5.389 -4.790 -0.999
95 2HB DHA 16 HB1 DHA 16 -7.578 -3.603 -1.973
96 3HB DHA 16 HB2 DHA 16 -8.556 -2.775 -0.611
97 H GLU 17 HN GLU 17 -5.178 -3.980 1.764
98 HA GLU 17 HA GLU 17 -6.799 -3.005 3.846
99 1HB GLU 17 HB2 GLU 17 -4.991 -4.730 4.041
100 2HB GLU 17 HB1 GLU 17 -3.810 -3.435 3.923
101 1HG GLU 17 HG2 GLU 17 -4.634 -2.449 5.967
102 2HG GLU 17 HG1 GLU 17 -5.906 -3.665 6.065
103 H CYS 18 HN CYS 18 -4.333 -1.464 1.889
104 HA CYS 18 HA CYS 18 -5.063 1.070 3.158
105 1HB CYS 18 HB2 CYS 18 -2.225 0.551 2.420
106 2HB CYS 18 HB1 CYS 18 -2.868 1.848 3.397
107 H ILE 19 HN ILE 19 -2.451 0.446 0.877
108 HA ILE 19 HA ILE 19 -3.127 2.667 -0.574
109 HB ILE 19 HB ILE 19 -1.390 2.164 -2.108
110 1HG1 ILE 19 HG12 ILE 19 -1.348 -0.634 -0.973
111 2HG1 ILE 19 HG11 ILE 19 -1.963 -0.191 -2.562
112 1HG2 ILE 19 HG21 ILE 19 -1.055 1.971 0.733
113 2HG2 ILE 19 HG22 ILE 19 -0.058 2.801 -0.461
114 3HG2 ILE 19 HG23 ILE 19 0.221 1.095 -0.112
115 1HD1 ILE 19 HD11 ILE 19 0.727 0.761 -2.196
116 2HD1 ILE 19 HD12 ILE 19 0.062 -0.290 -3.444
117 3HD1 ILE 19 HD13 ILE 19 0.616 -0.978 -1.917
118 1HN TEE 20 HN TEA 20 -4.010 -0.592 -1.023
119 HB2 TEE 20 HB2 TEA 20 -4.611 -1.460 -4.690
120 HA TEE 20 HA TEA 20 -5.268 -1.599 -2.341
Start of MODEL 17
1 1H CYS 1 HT1 CYS 1 3.935 8.449 -0.318
2 2H CYS 1 HT2 CYS 1 4.581 8.200 -1.863
3 3H CYS 1 HT3 CYS 1 4.772 7.017 -0.663
4 HA CYS 1 HA CYS 1 2.209 7.032 -0.615
5 1HB CYS 1 HB2 CYS 1 1.975 8.925 -2.130
6 2HB CYS 1 HB1 CYS 1 2.871 8.065 -3.377
7 1HN ABA 2 HN ABU 2 2.330 3.851 -2.127
8 HA ABA 2 HA ABU 2 0.236 4.182 -1.332
9 2HB ABA 2 HB ABU 2 -0.368 6.761 -0.895
10 1HG ABA 2 HG21 ABU 2 -0.290 5.521 -3.639
11 2HG ABA 2 HG22 ABU 2 -1.386 6.784 -3.072
12 3HG ABA 2 HG23 ABU 2 -1.495 5.157 -2.403
13 H PHE 3 HN PHE 3 -0.794 4.380 0.644
14 HA PHE 3 HA PHE 3 0.315 5.775 2.865
15 1HB PHE 3 HB2 PHE 3 -2.092 5.216 2.694
16 2HB PHE 3 HB1 PHE 3 -1.693 3.506 2.834
17 HD1 PHE 3 HD1 PHE 3 -2.336 2.673 4.873
18 HD2 PHE 3 HD2 PHE 3 -0.653 6.576 4.684
19 HE1 PHE 3 HE1 PHE 3 -2.474 2.846 7.321
20 HE2 PHE 3 HE2 PHE 3 -0.794 6.761 7.134
21 HZ PHE 3 HZ PHE 3 -1.705 4.880 8.458
22 1HN ABA 4 HN ABU 4 2.301 5.222 3.452
23 HA ABA 4 HA ABU 4 3.215 2.479 3.416
24 2HB ABA 4 HB ABU 4 2.480 2.200 5.597
25 1HG ABA 4 HG21 ABU 4 2.335 3.936 7.296
26 2HG ABA 4 HG22 ABU 4 1.485 4.429 5.830
27 3HG ABA 4 HG23 ABU 4 3.079 5.094 6.194
28 H LEU 5 HN LEU 5 5.479 3.262 5.275
29 HA LEU 5 HA LEU 5 6.723 5.579 4.279
30 1HB LEU 5 HB2 LEU 5 7.741 3.144 5.694
31 2HB LEU 5 HB1 LEU 5 8.869 4.329 5.069
32 HG LEU 5 HG LEU 5 8.411 4.677 7.438
33 1HD1 LEU 5 HD11 LEU 5 9.020 6.619 6.215
34 2HD1 LEU 5 HD12 LEU 5 7.701 7.074 7.292
35 3HD1 LEU 5 HD13 LEU 5 7.387 6.805 5.578
36 1HD2 LEU 5 HD21 LEU 5 5.998 3.817 7.218
37 2HD2 LEU 5 HD22 LEU 5 5.606 5.482 6.785
38 3HD2 LEU 5 HD23 LEU 5 6.328 5.126 8.357
39 HA PRO 6 HA PRO 6 8.923 2.911 0.992
40 1HB PRO 6 HB2 PRO 6 8.375 0.292 0.746
41 2HB PRO 6 HB1 PRO 6 9.592 0.881 1.883
42 1HG PRO 6 HG2 PRO 6 6.793 -0.014 2.395
43 2HG PRO 6 HG1 PRO 6 8.253 -0.282 3.362
44 1HD PRO 6 HD2 PRO 6 6.341 1.651 3.876
45 2HD PRO 6 HD1 PRO 6 8.014 1.699 4.466
46 H GLY 7 HN GLY 7 8.208 2.720 -1.148
47 1HA GLY 7 HA2 GLY 7 5.299 2.364 -1.512
48 2HA GLY 7 HA1 GLY 7 6.129 3.750 -2.200
49 H GLY 8 HN GLY 8 7.610 0.585 -2.112
50 1HA GLY 8 HA2 GLY 8 7.499 0.565 -5.052
51 2HA GLY 8 HA1 GLY 8 8.732 -0.215 -4.074
52 H GLY 9 HN GLY 9 8.290 -2.241 -3.110
53 1HA GLY 9 HA2 GLY 9 6.022 -3.624 -4.401
54 2HA GLY 9 HA1 GLY 9 7.547 -4.383 -3.972
55 H GLY 10 HN GLY 10 7.904 -5.071 -1.874
56 1HA GLY 10 HA2 GLY 10 5.568 -5.661 -0.317
57 2HA GLY 10 HA1 GLY 10 7.233 -6.005 0.133
58 H VAL 11 HN VAL 11 4.705 -3.611 0.131
59 HA VAL 11 HA VAL 11 6.295 -1.962 1.978
60 HB VAL 11 HB VAL 11 5.032 -0.021 1.149
61 1HG1 VAL 11 HG11 VAL 11 5.856 -0.426 -1.390
62 2HG1 VAL 11 HG12 VAL 11 6.718 -1.736 -0.585
63 3HG1 VAL 11 HG13 VAL 11 6.955 -0.070 -0.059
64 1HG2 VAL 11 HG21 VAL 11 3.755 -0.438 -1.057
65 2HG2 VAL 11 HG22 VAL 11 2.956 -0.837 0.465
66 3HG2 VAL 11 HG23 VAL 11 3.663 -2.116 -0.521
67 H CYS 12 HN CYS 12 4.894 -0.361 3.057
68 HA CYS 12 HA CYS 12 3.009 -1.595 4.808
69 1HB CYS 12 HB2 CYS 12 4.299 0.078 5.758
70 2HB CYS 12 HB1 CYS 12 4.232 1.085 4.332
71 1HN ABA 13 HN ABU 13 0.840 -1.658 4.526
72 HA ABA 13 HA ABU 13 -0.626 0.208 2.930
73 2HB ABA 13 HB ABU 13 -1.696 -2.515 3.601
74 1HG ABA 13 HG21 ABU 13 -2.415 -1.241 5.817
75 2HG ABA 13 HG22 ABU 13 -0.888 -0.406 5.535
76 3HG ABA 13 HG23 ABU 13 -0.914 -2.159 5.716
77 H LEU 14 HN LEU 14 0.782 -2.957 2.337
78 HA LEU 14 HA LEU 14 0.618 -2.542 -0.472
79 1HB LEU 14 HB2 LEU 14 2.540 -3.633 0.376
80 2HB LEU 14 HB1 LEU 14 1.580 -4.794 1.271
81 HG LEU 14 HG LEU 14 0.844 -5.790 -0.835
82 1HD1 LEU 14 HD11 LEU 14 2.926 -4.187 -2.269
83 2HD1 LEU 14 HD12 LEU 14 1.274 -3.587 -2.111
84 3HD1 LEU 14 HD13 LEU 14 1.582 -5.119 -2.933
85 1HD2 LEU 14 HD21 LEU 14 3.837 -5.678 -0.882
86 2HD2 LEU 14 HD22 LEU 14 2.772 -7.054 -1.169
87 3HD2 LEU 14 HD23 LEU 14 2.975 -6.420 0.466
88 1HN ABA 15 HN ABU 15 -1.617 -2.395 -0.868
89 HA ABA 15 HA ABU 15 -3.056 -4.968 -0.736
90 2HB ABA 15 HB ABU 15 -4.007 -3.285 -2.900
91 1HG ABA 15 HG21 ABU 15 -2.071 -3.631 -4.410
92 2HG ABA 15 HG22 ABU 15 -1.120 -4.132 -3.012
93 3HG ABA 15 HG23 ABU 15 -1.750 -2.490 -3.104
94 1HN DHA 16 HN DHA 16 -5.402 -4.700 -0.927
95 2HB DHA 16 HB1 DHA 16 -7.524 -3.426 -1.852
96 3HB DHA 16 HB2 DHA 16 -8.449 -2.540 -0.489
97 H GLU 17 HN GLU 17 -5.087 -3.865 1.856
98 HA GLU 17 HA GLU 17 -6.622 -2.819 3.968
99 1HB GLU 17 HB2 GLU 17 -4.754 -4.535 4.103
100 2HB GLU 17 HB1 GLU 17 -3.629 -3.190 3.986
101 1HG GLU 17 HG2 GLU 17 -3.884 -3.818 6.279
102 2HG GLU 17 HG1 GLU 17 -4.603 -2.228 6.025
103 H CYS 18 HN CYS 18 -4.285 -1.379 1.819
104 HA CYS 18 HA CYS 18 -4.933 1.224 2.956
105 1HB CYS 18 HB2 CYS 18 -2.085 0.679 2.269
106 2HB CYS 18 HB1 CYS 18 -2.745 1.980 3.227
107 H ILE 19 HN ILE 19 -2.331 0.344 0.751
108 HA ILE 19 HA ILE 19 -2.828 2.492 -0.861
109 HB ILE 19 HB ILE 19 -0.699 1.022 -0.593
110 1HG1 ILE 19 HG12 ILE 19 -1.049 3.181 -1.929
111 2HG1 ILE 19 HG11 ILE 19 0.329 2.169 -2.342
112 1HG2 ILE 19 HG21 ILE 19 -0.453 -0.180 -2.945
113 2HG2 ILE 19 HG22 ILE 19 -2.182 -0.420 -2.693
114 3HG2 ILE 19 HG23 ILE 19 -1.026 -1.014 -1.501
115 1HD1 ILE 19 HD11 ILE 19 -1.849 3.046 -3.971
116 2HD1 ILE 19 HD12 ILE 19 -1.765 1.285 -3.947
117 3HD1 ILE 19 HD13 ILE 19 -0.356 2.228 -4.436
118 1HN TEE 20 HN TEA 20 -3.982 -0.751 -1.160
119 HB2 TEE 20 HB2 TEA 20 -5.702 -2.390 -4.079
120 HA TEE 20 HA TEA 20 -5.385 -1.549 -2.219
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