Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
616021 | 5wrx RC | 36038 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 VAL 1 H VAL 1 1.807 0.001 0.856
2 HA VAL 1 HA VAL 1 1.397 -0.082 -2.063
3 HB VAL 1 HB VAL 1 3.542 1.419 -0.556
4 HG11 VAL 1 1HG1 VAL 1 4.519 0.488 -2.535
5 HG12 VAL 1 2HG1 VAL 1 3.141 0.997 -3.513
6 HG13 VAL 1 3HG1 VAL 1 4.226 2.203 -2.821
7 HG21 VAL 1 1HG2 VAL 1 2.404 3.332 -0.940
8 HG22 VAL 1 2HG2 VAL 1 1.771 2.774 -2.489
9 HG23 VAL 1 3HG2 VAL 1 1.018 2.243 -0.986
10 H ALA 2 H ALA 2 3.822 -0.674 0.482
11 HA ALA 2 HA ALA 2 4.719 -3.022 -1.059
12 HB1 ALA 2 1HB ALA 2 6.885 -2.491 0.437
13 HB2 ALA 2 2HB ALA 2 6.637 -1.835 -1.181
14 HB3 ALA 2 3HB ALA 2 6.251 -0.858 0.235
15 H ARG 3 H ARG 3 4.763 -1.671 2.245
16 HA ARG 3 HA ARG 3 4.217 -4.387 3.249
17 HB2 ARG 3 2HB ARG 3 5.956 -2.210 4.396
18 HB3 ARG 3 3HB ARG 3 5.372 -3.552 5.371
19 HG2 ARG 3 2HG ARG 3 6.906 -4.940 4.557
20 HG3 ARG 3 3HG ARG 3 6.595 -4.438 2.894
21 HD2 ARG 3 2HD ARG 3 8.236 -2.864 2.918
22 HD3 ARG 3 3HD ARG 3 8.033 -2.522 4.635
23 HE ARG 3 HE ARG 3 9.079 -5.019 4.615
24 HH11 ARG 3 1HH1 ARG 3 10.024 -2.007 3.146
25 HH12 ARG 3 2HH1 ARG 3 11.717 -2.369 3.185
26 HH21 ARG 3 1HH2 ARG 3 11.307 -5.507 4.671
27 HH22 ARG 3 2HH2 ARG 3 12.446 -4.360 4.052
28 H GLY 4 H GLY 4 4.197 -1.154 4.741
29 HA2 GLY 4 2HA GLY 4 1.396 -1.668 5.532
30 HA3 GLY 4 3HA GLY 4 2.552 -0.824 6.551
31 H TRP 5 H TRP 5 3.151 0.126 3.454
32 HA TRP 5 HA TRP 5 2.429 2.767 3.792
33 HB2 TRP 5 2HB TRP 5 3.627 1.257 1.780
34 HB3 TRP 5 3HB TRP 5 2.214 1.968 1.005
35 HD1 TRP 5 HD1 TRP 5 5.385 2.771 0.528
36 HE1 TRP 5 HE1 TRP 5 5.999 5.265 0.704
37 HE3 TRP 5 HE3 TRP 5 1.370 4.407 3.237
38 HZ2 TRP 5 HZ2 TRP 5 4.924 7.614 1.842
39 HZ3 TRP 5 HZ3 TRP 5 1.239 6.792 3.829
40 HH2 TRP 5 HH2 TRP 5 2.981 8.360 3.145
41 H GLY 6 H GLY 6 0.361 3.040 4.603
42 HA2 GLY 6 2HA GLY 6 -1.892 2.053 3.016
43 HA3 GLY 6 3HA GLY 6 -1.987 2.764 4.621
44 H ARG 7 H ARG 7 -1.657 5.094 4.801
45 HA ARG 7 HA ARG 7 -2.504 6.492 2.347
46 HB2 ARG 7 2HB ARG 7 -3.288 6.895 5.224
47 HB3 ARG 7 3HB ARG 7 -3.479 8.178 4.037
48 HG2 ARG 7 2HG ARG 7 -4.646 6.051 2.778
49 HG3 ARG 7 3HG ARG 7 -5.063 5.770 4.470
50 HD2 ARG 7 2HD ARG 7 -5.399 8.497 3.303
51 HD3 ARG 7 3HD ARG 7 -6.595 7.251 2.949
52 HE ARG 7 HE ARG 7 -6.294 8.678 5.388
53 HH11 ARG 7 1HH1 ARG 7 -7.163 5.572 4.079
54 HH12 ARG 7 2HH1 ARG 7 -8.183 5.148 5.414
55 HH21 ARG 7 1HH2 ARG 7 -7.634 8.132 7.152
56 HH22 ARG 7 2HH2 ARG 7 -8.451 6.606 7.161
57 H LYS 8 H LYS 8 -1.403 7.713 5.488
58 HA LYS 8 HA LYS 8 0.893 8.959 4.127
59 HB2 LYS 8 2HB LYS 8 0.561 10.884 5.762
60 HB3 LYS 8 3HB LYS 8 -0.601 10.757 4.448
61 HG2 LYS 8 2HG LYS 8 -1.903 11.226 6.315
62 HG3 LYS 8 3HG LYS 8 -2.066 9.480 6.111
63 HD2 LYS 8 2HD LYS 8 -0.614 9.030 7.907
64 HD3 LYS 8 3HD LYS 8 0.002 10.684 7.931
65 HE2 LYS 8 2HE LYS 8 -2.769 10.887 8.302
66 HE3 LYS 8 3HE LYS 8 -2.247 9.546 9.320
67 HZ1 LYS 8 1HZ LYS 8 -1.706 11.134 10.769
68 HZ2 LYS 8 2HZ LYS 8 -1.759 12.365 9.611
69 HZ3 LYS 8 3HZ LYS 8 -0.362 11.427 9.783
70 H CYS 9 H CYS 9 0.759 6.490 5.653
71 HA CYS 9 HA CYS 9 2.511 7.232 7.904
72 HB2 CYS 9 2HB CYS 9 0.299 5.249 7.716
73 HB3 CYS 9 3HB CYS 9 1.703 4.804 8.677
74 HG CYS 9 HG CYS 9 0.287 7.824 9.263
75 HA PRO 10 HA PRO 10 4.958 4.749 4.849
76 HB2 PRO 10 2HB PRO 10 7.175 6.307 5.016
77 HB3 PRO 10 3HB PRO 10 5.837 6.655 3.915
78 HG2 PRO 10 2HG PRO 10 6.445 7.845 6.594
79 HG3 PRO 10 3HG PRO 10 5.911 8.651 5.107
80 HD2 PRO 10 2HD PRO 10 4.216 8.068 7.137
81 HD3 PRO 10 3HD PRO 10 3.704 8.074 5.437
82 H LEU 11 H LEU 11 6.093 3.038 5.519
83 HA LEU 11 HA LEU 11 7.499 3.215 8.103
84 HB2 LEU 11 2HB LEU 11 7.064 0.693 8.180
85 HB3 LEU 11 3HB LEU 11 5.727 1.783 8.539
86 HG LEU 11 HG LEU 11 6.066 0.677 5.778
87 HD11 LEU 11 1HD1 LEU 11 5.961 -1.027 7.884
88 HD12 LEU 11 2HD1 LEU 11 5.312 -1.374 6.281
89 HD13 LEU 11 3HD1 LEU 11 4.246 -0.783 7.556
90 HD21 LEU 11 1HD2 LEU 11 4.293 2.441 6.950
91 HD22 LEU 11 2HD2 LEU 11 3.407 0.916 6.919
92 HD23 LEU 11 3HD2 LEU 11 4.062 1.586 5.425
93 H PHE 12 H PHE 12 8.487 3.687 5.358
94 HA PHE 12 HA PHE 12 10.563 1.598 5.308
95 HB2 PHE 12 2HB PHE 12 9.874 3.099 2.820
96 HB3 PHE 12 3HB PHE 12 10.520 1.472 3.003
97 HD1 PHE 12 HD1 PHE 12 9.126 -0.311 2.614
98 HD2 PHE 12 HD2 PHE 12 7.435 3.424 3.759
99 HE1 PHE 12 HE1 PHE 12 6.869 -1.243 2.309
100 HE2 PHE 12 HE2 PHE 12 5.176 2.498 3.456
101 HZ PHE 12 HZ PHE 12 4.890 0.162 2.731
102 H GLY 13 H GLY 13 10.457 4.231 6.669
103 HA2 GLY 13 2HA GLY 13 12.556 5.684 5.203
104 HA3 GLY 13 3HA GLY 13 11.555 6.357 6.481
Start of MODEL 2
1 H1 VAL 1 H VAL 1 1.647 -0.042 1.174
2 HA VAL 1 HA VAL 1 0.977 -0.122 -1.696
3 HB VAL 1 HB VAL 1 3.235 1.395 -0.382
4 HG11 VAL 1 1HG1 VAL 1 4.034 0.475 -2.447
5 HG12 VAL 1 2HG1 VAL 1 2.572 0.986 -3.294
6 HG13 VAL 1 3HG1 VAL 1 3.711 2.191 -2.693
7 HG21 VAL 1 1HG2 VAL 1 0.677 2.196 -0.576
8 HG22 VAL 1 2HG2 VAL 1 2.049 3.301 -0.658
9 HG23 VAL 1 3HG2 VAL 1 1.282 2.736 -2.142
10 H ALA 2 H ALA 2 3.626 -0.697 0.620
11 HA ALA 2 HA ALA 2 4.404 -3.032 -1.005
12 HB1 ALA 2 1HB ALA 2 6.293 -1.831 -1.293
13 HB2 ALA 2 2HB ALA 2 6.024 -0.854 0.151
14 HB3 ALA 2 3HB ALA 2 6.689 -2.481 0.298
15 H ARG 3 H ARG 3 4.732 -1.690 2.288
16 HA ARG 3 HA ARG 3 4.302 -4.415 3.326
17 HB2 ARG 3 2HB ARG 3 6.112 -2.224 4.330
18 HB3 ARG 3 3HB ARG 3 5.638 -3.586 5.337
19 HG2 ARG 3 2HG ARG 3 7.047 -4.989 4.315
20 HG3 ARG 3 3HG ARG 3 6.685 -4.343 2.713
21 HD2 ARG 3 2HD ARG 3 8.396 -2.872 2.775
22 HD3 ARG 3 3HD ARG 3 8.193 -2.552 4.497
23 HE ARG 3 HE ARG 3 9.191 -5.125 4.277
24 HH11 ARG 3 1HH1 ARG 3 10.203 -1.893 3.471
25 HH12 ARG 3 2HH1 ARG 3 11.892 -2.236 3.656
26 HH21 ARG 3 1HH2 ARG 3 11.411 -5.589 4.523
27 HH22 ARG 3 2HH2 ARG 3 12.578 -4.339 4.253
28 H GLY 4 H GLY 4 4.387 -1.186 4.826
29 HA2 GLY 4 2HA GLY 4 1.673 -1.728 5.863
30 HA3 GLY 4 3HA GLY 4 2.909 -0.877 6.778
31 H TRP 5 H TRP 5 3.217 0.087 3.642
32 HA TRP 5 HA TRP 5 2.505 2.720 4.054
33 HB2 TRP 5 2HB TRP 5 3.533 1.229 1.937
34 HB3 TRP 5 3HB TRP 5 2.049 1.927 1.294
35 HD1 TRP 5 HD1 TRP 5 5.157 2.764 0.539
36 HE1 TRP 5 HE1 TRP 5 5.759 5.263 0.667
37 HE3 TRP 5 HE3 TRP 5 1.383 4.352 3.600
38 HZ2 TRP 5 HZ2 TRP 5 4.766 7.598 1.904
39 HZ3 TRP 5 HZ3 TRP 5 1.281 6.734 4.209
40 HH2 TRP 5 HH2 TRP 5 2.939 8.322 3.377
41 H GLY 6 H GLY 6 0.516 2.970 5.049
42 HA2 GLY 6 2HA GLY 6 -1.861 1.970 3.663
43 HA3 GLY 6 3HA GLY 6 -1.819 2.669 5.275
44 H ARG 7 H ARG 7 -1.516 4.998 5.449
45 HA ARG 7 HA ARG 7 -2.593 6.402 3.092
46 HB2 ARG 7 2HB ARG 7 -3.257 6.541 5.977
47 HB3 ARG 7 3HB ARG 7 -3.224 8.072 5.111
48 HG2 ARG 7 2HG ARG 7 -4.740 5.775 3.965
49 HG3 ARG 7 3HG ARG 7 -5.432 6.705 5.295
50 HD2 ARG 7 2HD ARG 7 -4.378 8.521 3.375
51 HD3 ARG 7 3HD ARG 7 -5.379 7.340 2.532
52 HE ARG 7 HE ARG 7 -6.264 9.380 4.355
53 HH11 ARG 7 1HH1 ARG 7 -7.008 6.296 2.921
54 HH12 ARG 7 2HH1 ARG 7 -8.717 6.452 3.156
55 HH21 ARG 7 1HH2 ARG 7 -8.513 9.597 4.670
56 HH22 ARG 7 2HH2 ARG 7 -9.572 8.330 4.150
57 H LYS 8 H LYS 8 -1.208 7.629 6.115
58 HA LYS 8 HA LYS 8 0.942 8.889 4.546
59 HB2 LYS 8 2HB LYS 8 0.750 10.897 5.904
60 HB3 LYS 8 3HB LYS 8 -0.786 10.550 5.121
61 HG2 LYS 8 2HG LYS 8 -0.269 9.597 7.905
62 HG3 LYS 8 3HG LYS 8 -0.753 11.268 7.604
63 HD2 LYS 8 2HD LYS 8 -2.599 10.045 6.124
64 HD3 LYS 8 3HD LYS 8 -2.291 8.749 7.283
65 HE2 LYS 8 2HE LYS 8 -2.952 11.589 8.050
66 HE3 LYS 8 3HE LYS 8 -4.145 10.298 7.922
67 HZ1 LYS 8 1HZ LYS 8 -3.247 9.181 9.729
68 HZ2 LYS 8 2HZ LYS 8 -3.152 10.801 10.205
69 HZ3 LYS 8 3HZ LYS 8 -1.770 10.001 9.649
70 H CYS 9 H CYS 9 0.981 6.422 6.068
71 HA CYS 9 HA CYS 9 2.922 7.179 8.152
72 HB2 CYS 9 2HB CYS 9 1.104 4.761 8.132
73 HB3 CYS 9 3HB CYS 9 2.283 5.151 9.378
74 HG CYS 9 HG CYS 9 0.511 6.294 10.832
75 HA PRO 10 HA PRO 10 5.104 4.725 4.883
76 HB2 PRO 10 2HB PRO 10 7.314 6.302 4.853
77 HB3 PRO 10 3HB PRO 10 5.878 6.641 3.879
78 HG2 PRO 10 2HG PRO 10 6.716 7.830 6.496
79 HG3 PRO 10 3HG PRO 10 6.043 8.634 5.066
80 HD2 PRO 10 2HD PRO 10 4.544 8.032 7.239
81 HD3 PRO 10 3HD PRO 10 3.880 8.037 5.592
82 H LEU 11 H LEU 11 6.309 3.022 5.442
83 HA LEU 11 HA LEU 11 7.941 3.205 7.889
84 HB2 LEU 11 2HB LEU 11 7.537 0.679 7.996
85 HB3 LEU 11 3HB LEU 11 6.228 1.756 8.477
86 HG LEU 11 HG LEU 11 6.327 0.660 5.694
87 HD11 LEU 11 1HD1 LEU 11 4.688 -0.821 7.623
88 HD12 LEU 11 2HD1 LEU 11 6.427 -1.050 7.796
89 HD13 LEU 11 3HD1 LEU 11 5.642 -1.399 6.256
90 HD21 LEU 11 1HD2 LEU 11 3.779 0.871 7.068
91 HD22 LEU 11 2HD2 LEU 11 4.292 1.552 5.524
92 HD23 LEU 11 3HD2 LEU 11 4.651 2.404 7.027
93 H PHE 12 H PHE 12 8.673 3.693 5.068
94 HA PHE 12 HA PHE 12 10.755 1.623 4.823
95 HB2 PHE 12 2HB PHE 12 9.830 3.123 2.412
96 HB3 PHE 12 3HB PHE 12 10.505 1.502 2.531
97 HD1 PHE 12 HD1 PHE 12 7.484 3.424 3.569
98 HD2 PHE 12 HD2 PHE 12 9.096 -0.293 2.266
99 HE1 PHE 12 HE1 PHE 12 5.215 2.478 3.470
100 HE2 PHE 12 HE2 PHE 12 6.830 -1.245 2.164
101 HZ PHE 12 HZ PHE 12 4.885 0.142 2.765
102 H GLY 13 H GLY 13 10.729 4.271 6.183
103 HA2 GLY 13 2HA GLY 13 12.300 6.063 4.595
104 HA3 GLY 13 3HA GLY 13 11.993 6.196 6.320
Start of MODEL 3
1 H1 VAL 1 H VAL 1 1.710 0.059 1.290
2 HA VAL 1 HA VAL 1 1.018 -0.003 -1.575
3 HB VAL 1 HB VAL 1 3.260 1.540 -0.264
4 HG11 VAL 1 1HG1 VAL 1 2.580 1.141 -3.173
5 HG12 VAL 1 2HG1 VAL 1 3.697 2.370 -2.574
6 HG13 VAL 1 3HG1 VAL 1 4.060 0.659 -2.343
7 HG21 VAL 1 1HG2 VAL 1 2.039 3.425 -0.508
8 HG22 VAL 1 2HG2 VAL 1 1.271 2.867 -1.994
9 HG23 VAL 1 3HG2 VAL 1 0.684 2.298 -0.431
10 H ALA 2 H ALA 2 3.696 -0.555 0.713
11 HA ALA 2 HA ALA 2 4.501 -2.859 -0.943
12 HB1 ALA 2 1HB ALA 2 6.092 -0.666 0.224
13 HB2 ALA 2 2HB ALA 2 6.788 -2.283 0.344
14 HB3 ALA 2 3HB ALA 2 6.365 -1.619 -1.235
15 H ARG 3 H ARG 3 4.833 -1.545 2.360
16 HA ARG 3 HA ARG 3 4.461 -4.288 3.374
17 HB2 ARG 3 2HB ARG 3 6.275 -2.086 4.328
18 HB3 ARG 3 3HB ARG 3 5.782 -3.390 5.399
19 HG2 ARG 3 2HG ARG 3 7.229 -4.815 4.491
20 HG3 ARG 3 3HG ARG 3 6.768 -4.364 2.848
21 HD2 ARG 3 2HD ARG 3 8.411 -2.802 2.670
22 HD3 ARG 3 3HD ARG 3 8.364 -2.402 4.387
23 HE ARG 3 HE ARG 3 10.047 -3.900 4.717
24 HH11 ARG 3 1HH1 ARG 3 8.448 -4.675 1.724
25 HH12 ARG 3 2HH1 ARG 3 9.563 -5.932 1.302
26 HH21 ARG 3 1HH2 ARG 3 11.522 -5.553 4.173
27 HH22 ARG 3 2HH2 ARG 3 11.311 -6.431 2.697
28 H GLY 4 H GLY 4 4.502 -1.074 4.907
29 HA2 GLY 4 2HA GLY 4 1.806 -1.675 5.961
30 HA3 GLY 4 3HA GLY 4 3.034 -0.811 6.874
31 H TRP 5 H TRP 5 3.299 0.190 3.746
32 HA TRP 5 HA TRP 5 2.544 2.806 4.192
33 HB2 TRP 5 2HB TRP 5 3.580 1.355 2.051
34 HB3 TRP 5 3HB TRP 5 2.079 2.033 1.427
35 HD1 TRP 5 HD1 TRP 5 5.165 2.934 0.656
36 HE1 TRP 5 HE1 TRP 5 5.723 5.442 0.805
37 HE3 TRP 5 HE3 TRP 5 1.389 4.422 3.765
38 HZ2 TRP 5 HZ2 TRP 5 4.698 7.746 2.074
39 HZ3 TRP 5 HZ3 TRP 5 1.249 6.795 4.399
40 HH2 TRP 5 HH2 TRP 5 2.871 8.421 3.570
41 H GLY 6 H GLY 6 0.559 3.009 5.206
42 HA2 GLY 6 2HA GLY 6 -1.811 1.982 3.829
43 HA3 GLY 6 3HA GLY 6 -1.768 2.665 5.448
44 H ARG 7 H ARG 7 -1.507 4.996 5.644
45 HA ARG 7 HA ARG 7 -2.628 6.405 3.311
46 HB2 ARG 7 2HB ARG 7 -3.070 6.837 6.263
47 HB3 ARG 7 3HB ARG 7 -3.525 8.026 5.050
48 HG2 ARG 7 2HG ARG 7 -4.678 5.755 4.073
49 HG3 ARG 7 3HG ARG 7 -4.826 5.529 5.817
50 HD2 ARG 7 2HD ARG 7 -6.780 6.666 5.180
51 HD3 ARG 7 3HD ARG 7 -5.739 7.901 5.888
52 HE ARG 7 HE ARG 7 -5.614 8.926 3.842
53 HH11 ARG 7 1HH1 ARG 7 -6.904 5.717 3.446
54 HH12 ARG 7 2HH1 ARG 7 -7.324 5.950 1.782
55 HH21 ARG 7 1HH2 ARG 7 -6.163 9.245 1.651
56 HH22 ARG 7 2HH2 ARG 7 -6.901 7.957 0.761
57 H LYS 8 H LYS 8 -1.240 7.625 6.334
58 HA LYS 8 HA LYS 8 0.874 8.940 4.761
59 HB2 LYS 8 2HB LYS 8 0.658 10.931 6.142
60 HB3 LYS 8 3HB LYS 8 -0.878 10.564 5.367
61 HG2 LYS 8 2HG LYS 8 -0.322 9.592 8.137
62 HG3 LYS 8 3HG LYS 8 -0.838 11.256 7.857
63 HD2 LYS 8 2HD LYS 8 -2.673 10.015 6.379
64 HD3 LYS 8 3HD LYS 8 -2.333 8.714 7.523
65 HE2 LYS 8 2HE LYS 8 -3.666 9.709 8.993
66 HE3 LYS 8 3HE LYS 8 -2.555 11.077 9.036
67 HZ1 LYS 8 1HZ LYS 8 -4.393 11.011 6.790
68 HZ2 LYS 8 2HZ LYS 8 -3.891 12.316 7.742
69 HZ3 LYS 8 3HZ LYS 8 -5.101 11.276 8.304
70 H CYS 9 H CYS 9 0.970 6.459 6.257
71 HA CYS 9 HA CYS 9 2.915 7.229 8.333
72 HB2 CYS 9 2HB CYS 9 1.104 4.805 8.297
73 HB3 CYS 9 3HB CYS 9 2.328 5.141 9.516
74 HG CYS 9 HG CYS 9 0.064 5.782 10.824
75 HA PRO 10 HA PRO 10 5.113 4.848 5.020
76 HB2 PRO 10 2HB PRO 10 7.293 6.465 4.989
77 HB3 PRO 10 3HB PRO 10 5.844 6.788 4.030
78 HG2 PRO 10 2HG PRO 10 6.682 7.965 6.652
79 HG3 PRO 10 3HG PRO 10 5.983 8.772 5.236
80 HD2 PRO 10 2HD PRO 10 4.513 8.120 7.415
81 HD3 PRO 10 3HD PRO 10 3.836 8.130 5.774
82 H LEU 11 H LEU 11 6.353 3.162 5.551
83 HA LEU 11 HA LEU 11 8.002 3.349 7.987
84 HB2 LEU 11 2HB LEU 11 7.645 0.815 8.071
85 HB3 LEU 11 3HB LEU 11 6.320 1.864 8.574
86 HG LEU 11 HG LEU 11 6.415 0.798 5.778
87 HD11 LEU 11 1HD1 LEU 11 4.819 -0.732 7.705
88 HD12 LEU 11 2HD1 LEU 11 6.564 -0.932 7.862
89 HD13 LEU 11 3HD1 LEU 11 5.772 -1.279 6.325
90 HD21 LEU 11 1HD2 LEU 11 3.876 0.949 7.175
91 HD22 LEU 11 2HD2 LEU 11 4.364 1.656 5.635
92 HD23 LEU 11 3HD2 LEU 11 4.719 2.498 7.144
93 H PHE 12 H PHE 12 8.701 3.880 5.165
94 HA PHE 12 HA PHE 12 10.818 1.850 4.882
95 HB2 PHE 12 2HB PHE 12 9.846 3.358 2.494
96 HB3 PHE 12 3HB PHE 12 10.551 1.748 2.590
97 HD1 PHE 12 HD1 PHE 12 7.505 3.604 3.673
98 HD2 PHE 12 HD2 PHE 12 9.173 -0.070 2.318
99 HE1 PHE 12 HE1 PHE 12 5.252 2.619 3.583
100 HE2 PHE 12 HE2 PHE 12 6.923 -1.061 2.225
101 HZ PHE 12 HZ PHE 12 4.959 0.284 2.857
102 H GLY 13 H GLY 13 10.760 4.479 6.272
103 HA2 GLY 13 2HA GLY 13 12.087 6.470 4.826
104 HA3 GLY 13 3HA GLY 13 12.166 6.267 6.569
Start of MODEL 4
1 H1 VAL 1 H VAL 1 1.700 -0.018 1.075
2 HA VAL 1 HA VAL 1 1.026 -0.013 -1.795
3 HB VAL 1 HB VAL 1 3.274 1.479 -0.437
4 HG11 VAL 1 1HG1 VAL 1 4.081 0.637 -2.529
5 HG12 VAL 1 2HG1 VAL 1 2.610 1.150 -3.359
6 HG13 VAL 1 3HG1 VAL 1 3.733 2.354 -2.726
7 HG21 VAL 1 1HG2 VAL 1 2.073 3.381 -0.648
8 HG22 VAL 1 2HG2 VAL 1 1.311 2.864 -2.152
9 HG23 VAL 1 3HG2 VAL 1 0.707 2.266 -0.606
10 H ALA 2 H ALA 2 3.684 -0.641 0.496
11 HA ALA 2 HA ALA 2 4.476 -2.916 -1.203
12 HB1 ALA 2 1HB ALA 2 6.761 -2.393 0.107
13 HB2 ALA 2 2HB ALA 2 6.353 -1.686 -1.457
14 HB3 ALA 2 3HB ALA 2 6.083 -0.767 0.024
15 H ARG 3 H ARG 3 4.800 -1.676 2.130
16 HA ARG 3 HA ARG 3 4.395 -4.436 3.083
17 HB2 ARG 3 2HB ARG 3 6.197 -2.264 4.138
18 HB3 ARG 3 3HB ARG 3 5.724 -3.644 5.120
19 HG2 ARG 3 2HG ARG 3 7.110 -5.044 4.050
20 HG3 ARG 3 3HG ARG 3 6.786 -4.323 2.472
21 HD2 ARG 3 2HD ARG 3 8.558 -2.953 2.605
22 HD3 ARG 3 3HD ARG 3 8.255 -2.576 4.301
23 HE ARG 3 HE ARG 3 9.275 -5.215 3.970
24 HH11 ARG 3 1HH1 ARG 3 10.190 -1.857 4.065
25 HH12 ARG 3 2HH1 ARG 3 11.811 -2.179 4.585
26 HH21 ARG 3 1HH2 ARG 3 11.406 -5.652 4.655
27 HH22 ARG 3 2HH2 ARG 3 12.502 -4.338 4.920
28 H GLY 4 H GLY 4 4.457 -1.256 4.684
29 HA2 GLY 4 2HA GLY 4 1.749 -1.852 5.708
30 HA3 GLY 4 3HA GLY 4 2.979 -1.020 6.647
31 H TRP 5 H TRP 5 3.274 0.045 3.543
32 HA TRP 5 HA TRP 5 2.541 2.658 4.040
33 HB2 TRP 5 2HB TRP 5 3.578 1.243 1.875
34 HB3 TRP 5 3HB TRP 5 2.087 1.948 1.256
35 HD1 TRP 5 HD1 TRP 5 5.186 2.836 0.524
36 HE1 TRP 5 HE1 TRP 5 5.767 5.335 0.731
37 HE3 TRP 5 HE3 TRP 5 1.404 4.293 3.639
38 HZ2 TRP 5 HZ2 TRP 5 4.756 7.621 2.042
39 HZ3 TRP 5 HZ3 TRP 5 1.282 6.654 4.323
40 HH2 TRP 5 HH2 TRP 5 2.925 8.282 3.540
41 H GLY 6 H GLY 6 0.551 2.858 5.045
42 HA2 GLY 6 2HA GLY 6 -1.819 1.883 3.631
43 HA3 GLY 6 3HA GLY 6 -1.780 2.531 5.264
44 H ARG 7 H ARG 7 -1.501 4.855 5.512
45 HA ARG 7 HA ARG 7 -2.592 6.325 3.203
46 HB2 ARG 7 2HB ARG 7 -3.119 6.561 6.149
47 HB3 ARG 7 3HB ARG 7 -3.382 7.936 5.086
48 HG2 ARG 7 2HG ARG 7 -4.706 6.007 3.736
49 HG3 ARG 7 3HG ARG 7 -4.931 5.463 5.400
50 HD2 ARG 7 2HD ARG 7 -6.536 6.974 5.653
51 HD3 ARG 7 3HD ARG 7 -5.351 8.251 5.381
52 HE ARG 7 HE ARG 7 -6.051 7.381 2.878
53 HH11 ARG 7 1HH1 ARG 7 -7.740 8.677 5.633
54 HH12 ARG 7 2HH1 ARG 7 -8.983 9.423 4.684
55 HH21 ARG 7 1HH2 ARG 7 -7.682 8.359 1.618
56 HH22 ARG 7 2HH2 ARG 7 -8.949 9.241 2.401
57 H LYS 8 H LYS 8 -1.211 7.467 6.260
58 HA LYS 8 HA LYS 8 0.925 8.794 4.728
59 HB2 LYS 8 2HB LYS 8 0.719 10.757 6.149
60 HB3 LYS 8 3HB LYS 8 -0.816 10.421 5.358
61 HG2 LYS 8 2HG LYS 8 -0.285 9.386 8.110
62 HG3 LYS 8 3HG LYS 8 -0.784 11.061 7.862
63 HD2 LYS 8 2HD LYS 8 -2.622 9.870 6.348
64 HD3 LYS 8 3HD LYS 8 -2.301 8.541 7.465
65 HE2 LYS 8 2HE LYS 8 -4.045 9.712 8.477
66 HE3 LYS 8 3HE LYS 8 -2.607 10.291 9.317
67 HZ1 LYS 8 1HZ LYS 8 -4.290 12.012 8.556
68 HZ2 LYS 8 2HZ LYS 8 -3.722 11.729 6.988
69 HZ3 LYS 8 3HZ LYS 8 -2.667 12.308 8.177
70 H CYS 9 H CYS 9 0.988 6.281 6.172
71 HA CYS 9 HA CYS 9 2.926 6.989 8.276
72 HB2 CYS 9 2HB CYS 9 1.215 4.497 8.200
73 HB3 CYS 9 3HB CYS 9 2.290 5.003 9.498
74 HG CYS 9 HG CYS 9 -0.822 6.068 8.756
75 HA PRO 10 HA PRO 10 5.123 4.657 4.928
76 HB2 PRO 10 2HB PRO 10 7.319 6.253 4.945
77 HB3 PRO 10 3HB PRO 10 5.879 6.611 3.984
78 HG2 PRO 10 2HG PRO 10 6.711 7.723 6.635
79 HG3 PRO 10 3HG PRO 10 6.029 8.567 5.232
80 HD2 PRO 10 2HD PRO 10 4.539 7.883 7.387
81 HD3 PRO 10 3HD PRO 10 3.872 7.935 5.743
82 H LEU 11 H LEU 11 6.344 2.948 5.431
83 HA LEU 11 HA LEU 11 7.979 3.068 7.880
84 HB2 LEU 11 2HB LEU 11 7.597 0.536 7.908
85 HB3 LEU 11 3HB LEU 11 6.279 1.586 8.425
86 HG LEU 11 HG LEU 11 6.383 0.580 5.607
87 HD11 LEU 11 1HD1 LEU 11 6.502 -1.196 7.653
88 HD12 LEU 11 2HD1 LEU 11 5.716 -1.503 6.105
89 HD13 LEU 11 3HD1 LEU 11 4.759 -0.977 7.490
90 HD21 LEU 11 1HD2 LEU 11 4.341 1.459 5.470
91 HD22 LEU 11 2HD2 LEU 11 4.694 2.266 6.998
92 HD23 LEU 11 3HD2 LEU 11 3.836 0.725 6.992
93 H PHE 12 H PHE 12 8.701 3.651 5.075
94 HA PHE 12 HA PHE 12 10.802 1.609 4.762
95 HB2 PHE 12 2HB PHE 12 9.859 3.175 2.401
96 HB3 PHE 12 3HB PHE 12 10.548 1.557 2.468
97 HD1 PHE 12 HD1 PHE 12 7.512 3.419 3.569
98 HD2 PHE 12 HD2 PHE 12 9.155 -0.241 2.149
99 HE1 PHE 12 HE1 PHE 12 5.251 2.457 3.444
100 HE2 PHE 12 HE2 PHE 12 6.897 -1.209 2.020
101 HZ PHE 12 HZ PHE 12 4.941 0.141 2.667
102 H GLY 13 H GLY 13 10.774 4.194 6.217
103 HA2 GLY 13 2HA GLY 13 12.782 5.668 4.635
104 HA3 GLY 13 3HA GLY 13 11.790 6.376 5.901
Start of MODEL 5
1 H1 VAL 1 H VAL 1 1.835 0.154 0.862
2 HA VAL 1 HA VAL 1 1.249 0.182 -2.027
3 HB VAL 1 HB VAL 1 3.463 1.653 -0.592
4 HG11 VAL 1 1HG1 VAL 1 3.997 2.539 -2.859
5 HG12 VAL 1 2HG1 VAL 1 4.327 0.816 -2.665
6 HG13 VAL 1 3HG1 VAL 1 2.886 1.348 -3.534
7 HG21 VAL 1 1HG2 VAL 1 1.560 3.056 -2.356
8 HG22 VAL 1 2HG2 VAL 1 0.907 2.455 -0.832
9 HG23 VAL 1 3HG2 VAL 1 2.278 3.564 -0.828
10 H ALA 2 H ALA 2 3.832 -0.475 0.341
11 HA ALA 2 HA ALA 2 4.664 -2.745 -1.348
12 HB1 ALA 2 1HB ALA 2 6.555 -1.525 -1.537
13 HB2 ALA 2 2HB ALA 2 6.244 -0.611 -0.060
14 HB3 ALA 2 3HB ALA 2 6.910 -2.241 0.035
15 H ARG 3 H ARG 3 4.893 -1.527 2.001
16 HA ARG 3 HA ARG 3 4.443 -4.290 2.924
17 HB2 ARG 3 2HB ARG 3 6.290 -2.158 3.945
18 HB3 ARG 3 3HB ARG 3 5.687 -3.400 5.035
19 HG2 ARG 3 2HG ARG 3 7.035 -4.969 4.188
20 HG3 ARG 3 3HG ARG 3 6.768 -4.440 2.525
21 HD2 ARG 3 2HD ARG 3 8.561 -3.060 2.536
22 HD3 ARG 3 3HD ARG 3 8.344 -2.620 4.229
23 HE ARG 3 HE ARG 3 10.059 -4.638 3.203
24 HH11 ARG 3 1HH1 ARG 3 8.004 -3.856 5.902
25 HH12 ARG 3 2HH1 ARG 3 8.878 -4.847 7.023
26 HH21 ARG 3 1HH2 ARG 3 11.218 -5.946 4.669
27 HH22 ARG 3 2HH2 ARG 3 10.707 -6.035 6.321
28 H GLY 4 H GLY 4 4.474 -1.120 4.547
29 HA2 GLY 4 2HA GLY 4 1.732 -1.707 5.483
30 HA3 GLY 4 3HA GLY 4 2.938 -0.888 6.465
31 H TRP 5 H TRP 5 3.334 0.194 3.378
32 HA TRP 5 HA TRP 5 2.600 2.808 3.868
33 HB2 TRP 5 2HB TRP 5 3.695 1.400 1.727
34 HB3 TRP 5 3HB TRP 5 2.227 2.118 1.068
35 HD1 TRP 5 HD1 TRP 5 5.352 2.992 0.435
36 HE1 TRP 5 HE1 TRP 5 5.941 5.486 0.675
37 HE3 TRP 5 HE3 TRP 5 1.485 4.452 3.443
38 HZ2 TRP 5 HZ2 TRP 5 4.903 7.770 1.969
39 HZ3 TRP 5 HZ3 TRP 5 1.356 6.809 4.137
40 HH2 TRP 5 HH2 TRP 5 3.031 8.432 3.415
41 H GLY 6 H GLY 6 0.582 3.014 4.813
42 HA2 GLY 6 2HA GLY 6 -1.750 2.061 3.322
43 HA3 GLY 6 3HA GLY 6 -1.757 2.699 4.960
44 H ARG 7 H ARG 7 -1.470 5.020 5.229
45 HA ARG 7 HA ARG 7 -2.483 6.510 2.896
46 HB2 ARG 7 2HB ARG 7 -3.190 6.592 5.787
47 HB3 ARG 7 3HB ARG 7 -3.219 8.110 4.899
48 HG2 ARG 7 2HG ARG 7 -4.582 6.432 3.224
49 HG3 ARG 7 3HG ARG 7 -5.063 5.855 4.821
50 HD2 ARG 7 2HD ARG 7 -5.484 8.324 5.370
51 HD3 ARG 7 3HD ARG 7 -5.402 8.588 3.628
52 HE ARG 7 HE ARG 7 -7.462 7.605 3.411
53 HH11 ARG 7 1HH1 ARG 7 -6.190 6.936 6.582
54 HH12 ARG 7 2HH1 ARG 7 -7.667 6.248 7.172
55 HH21 ARG 7 1HH2 ARG 7 -9.412 6.702 4.177
56 HH22 ARG 7 2HH2 ARG 7 -9.499 6.115 5.803
57 H LYS 8 H LYS 8 -1.191 7.625 6.002
58 HA LYS 8 HA LYS 8 0.999 8.950 4.545
59 HB2 LYS 8 2HB LYS 8 0.760 10.905 5.972
60 HB3 LYS 8 3HB LYS 8 -0.751 10.583 5.131
61 HG2 LYS 8 2HG LYS 8 -0.313 9.527 7.891
62 HG3 LYS 8 3HG LYS 8 -0.794 11.207 7.639
63 HD2 LYS 8 2HD LYS 8 -2.591 10.035 6.061
64 HD3 LYS 8 3HD LYS 8 -2.312 8.698 7.179
65 HE2 LYS 8 2HE LYS 8 -4.036 9.819 8.218
66 HE3 LYS 8 3HE LYS 8 -2.628 10.529 9.006
67 HZ1 LYS 8 1HZ LYS 8 -3.267 11.971 6.659
68 HZ2 LYS 8 2HZ LYS 8 -3.201 12.518 8.257
69 HZ3 LYS 8 3HZ LYS 8 -4.635 11.858 7.648
70 H CYS 9 H CYS 9 1.003 6.427 5.974
71 HA CYS 9 HA CYS 9 2.880 7.111 8.141
72 HB2 CYS 9 2HB CYS 9 0.705 5.075 8.006
73 HB3 CYS 9 3HB CYS 9 2.166 4.662 8.894
74 HG CYS 9 HG CYS 9 1.692 7.440 10.158
75 HA PRO 10 HA PRO 10 5.165 4.787 4.847
76 HB2 PRO 10 2HB PRO 10 7.369 6.370 4.941
77 HB3 PRO 10 3HB PRO 10 5.961 6.742 3.939
78 HG2 PRO 10 2HG PRO 10 6.717 7.834 6.621
79 HG3 PRO 10 3HG PRO 10 6.084 8.689 5.203
80 HD2 PRO 10 2HD PRO 10 4.524 8.001 7.307
81 HD3 PRO 10 3HD PRO 10 3.908 8.067 5.643
82 H LEU 11 H LEU 11 6.361 3.068 5.376
83 HA LEU 11 HA LEU 11 7.920 3.163 7.875
84 HB2 LEU 11 2HB LEU 11 7.523 0.634 7.875
85 HB3 LEU 11 3HB LEU 11 6.196 1.688 8.358
86 HG LEU 11 HG LEU 11 6.381 0.698 5.539
87 HD11 LEU 11 1HD1 LEU 11 5.686 -1.383 6.005
88 HD12 LEU 11 2HD1 LEU 11 4.691 -0.859 7.363
89 HD13 LEU 11 3HD1 LEU 11 6.426 -1.090 7.579
90 HD21 LEU 11 1HD2 LEU 11 3.793 0.850 6.845
91 HD22 LEU 11 2HD2 LEU 11 4.349 1.592 5.344
92 HD23 LEU 11 3HD2 LEU 11 4.659 2.386 6.888
93 H PHE 12 H PHE 12 8.732 3.760 5.096
94 HA PHE 12 HA PHE 12 10.829 1.707 4.836
95 HB2 PHE 12 2HB PHE 12 9.967 3.293 2.456
96 HB3 PHE 12 3HB PHE 12 10.645 1.670 2.534
97 HD1 PHE 12 HD1 PHE 12 7.588 3.543 3.554
98 HD2 PHE 12 HD2 PHE 12 9.252 -0.118 2.161
99 HE1 PHE 12 HE1 PHE 12 5.326 2.595 3.354
100 HE2 PHE 12 HE2 PHE 12 6.993 -1.071 1.957
101 HZ PHE 12 HZ PHE 12 5.027 0.286 2.553
102 H GLY 13 H GLY 13 10.757 4.296 6.296
103 HA2 GLY 13 2HA GLY 13 12.466 6.071 4.782
104 HA3 GLY 13 3HA GLY 13 11.939 6.291 6.444
Start of MODEL 6
1 H1 VAL 1 H VAL 1 1.854 0.121 1.012
2 HA VAL 1 HA VAL 1 1.417 0.037 -1.902
3 HB VAL 1 HB VAL 1 3.617 1.482 -0.419
4 HG11 VAL 1 1HG1 VAL 1 3.177 1.064 -3.372
5 HG12 VAL 1 2HG1 VAL 1 4.307 2.236 -2.691
6 HG13 VAL 1 3HG1 VAL 1 4.545 0.512 -2.405
7 HG21 VAL 1 1HG2 VAL 1 1.115 2.376 -0.827
8 HG22 VAL 1 2HG2 VAL 1 2.531 3.428 -0.804
9 HG23 VAL 1 3HG2 VAL 1 1.866 2.877 -2.342
10 H ALA 2 H ALA 2 3.844 -0.615 0.626
11 HA ALA 2 HA ALA 2 4.662 -2.993 -0.913
12 HB1 ALA 2 1HB ALA 2 6.613 -1.867 -1.056
13 HB2 ALA 2 2HB ALA 2 6.265 -0.866 0.355
14 HB3 ALA 2 3HB ALA 2 6.853 -2.515 0.567
15 H ARG 3 H ARG 3 4.773 -1.631 2.385
16 HA ARG 3 HA ARG 3 4.156 -4.327 3.405
17 HB2 ARG 3 2HB ARG 3 6.064 -2.242 4.395
18 HB3 ARG 3 3HB ARG 3 5.324 -3.352 5.541
19 HG2 ARG 3 2HG ARG 3 7.029 -4.704 5.087
20 HG3 ARG 3 3HG ARG 3 6.205 -5.032 3.561
21 HD2 ARG 3 2HD ARG 3 7.651 -3.770 2.352
22 HD3 ARG 3 3HD ARG 3 7.899 -2.612 3.659
23 HE ARG 3 HE ARG 3 9.117 -4.879 4.543
24 HH11 ARG 3 1HH1 ARG 3 9.372 -2.931 1.668
25 HH12 ARG 3 2HH1 ARG 3 11.047 -3.296 1.412
26 HH21 ARG 3 1HH2 ARG 3 11.321 -5.367 4.216
27 HH22 ARG 3 2HH2 ARG 3 12.154 -4.683 2.862
28 H GLY 4 H GLY 4 4.243 -1.088 4.882
29 HA2 GLY 4 2HA GLY 4 1.434 -1.517 5.699
30 HA3 GLY 4 3HA GLY 4 2.623 -0.704 6.706
31 H TRP 5 H TRP 5 3.222 0.216 3.598
32 HA TRP 5 HA TRP 5 2.581 2.878 3.933
33 HB2 TRP 5 2HB TRP 5 3.718 1.327 1.917
34 HB3 TRP 5 3HB TRP 5 2.320 2.075 1.150
35 HD1 TRP 5 HD1 TRP 5 5.509 2.786 0.645
36 HE1 TRP 5 HE1 TRP 5 6.194 5.262 0.805
37 HE3 TRP 5 HE3 TRP 5 1.563 4.546 3.378
38 HZ2 TRP 5 HZ2 TRP 5 5.195 7.645 1.941
39 HZ3 TRP 5 HZ3 TRP 5 1.504 6.936 3.960
40 HH2 TRP 5 HH2 TRP 5 3.284 8.452 3.255
41 H GLY 6 H GLY 6 0.528 3.214 4.760
42 HA2 GLY 6 2HA GLY 6 -1.765 2.290 3.192
43 HA3 GLY 6 3HA GLY 6 -1.827 3.002 4.797
44 H ARG 7 H ARG 7 -1.448 5.320 4.978
45 HA ARG 7 HA ARG 7 -2.276 6.741 2.533
46 HB2 ARG 7 2HB ARG 7 -3.040 7.108 5.410
47 HB3 ARG 7 3HB ARG 7 -3.127 8.465 4.295
48 HG2 ARG 7 2HG ARG 7 -4.722 7.337 2.929
49 HG3 ARG 7 3HG ARG 7 -4.508 5.834 3.830
50 HD2 ARG 7 2HD ARG 7 -5.210 7.383 5.859
51 HD3 ARG 7 3HD ARG 7 -5.978 8.309 4.570
52 HE ARG 7 HE ARG 7 -6.722 5.672 4.196
53 HH11 ARG 7 1HH1 ARG 7 -7.081 8.115 6.650
54 HH12 ARG 7 2HH1 ARG 7 -8.594 7.499 7.227
55 HH21 ARG 7 1HH2 ARG 7 -8.714 4.851 4.946
56 HH22 ARG 7 2HH2 ARG 7 -9.522 5.642 6.257
57 H LYS 8 H LYS 8 -1.096 7.943 5.650
58 HA LYS 8 HA LYS 8 1.222 9.106 4.254
59 HB2 LYS 8 2HB LYS 8 0.997 11.133 5.580
60 HB3 LYS 8 3HB LYS 8 -0.481 10.837 4.674
61 HG2 LYS 8 2HG LYS 8 -0.233 9.891 7.497
62 HG3 LYS 8 3HG LYS 8 -0.625 11.576 7.147
63 HD2 LYS 8 2HD LYS 8 -2.388 10.410 5.526
64 HD3 LYS 8 3HD LYS 8 -2.229 9.116 6.716
65 HE2 LYS 8 2HE LYS 8 -2.484 11.245 8.350
66 HE3 LYS 8 3HE LYS 8 -3.431 11.799 6.970
67 HZ1 LYS 8 1HZ LYS 8 -4.929 10.680 8.353
68 HZ2 LYS 8 2HZ LYS 8 -3.868 9.394 8.638
69 HZ3 LYS 8 3HZ LYS 8 -4.592 9.573 7.119
70 H CYS 9 H CYS 9 1.042 6.655 5.791
71 HA CYS 9 HA CYS 9 2.835 7.358 8.021
72 HB2 CYS 9 2HB CYS 9 0.918 5.022 7.864
73 HB3 CYS 9 3HB CYS 9 2.023 5.351 9.193
74 HG CYS 9 HG CYS 9 0.561 8.072 9.196
75 HA PRO 10 HA PRO 10 5.179 4.791 4.957
76 HB2 PRO 10 2HB PRO 10 7.443 6.284 5.097
77 HB3 PRO 10 3HB PRO 10 6.105 6.667 4.007
78 HG2 PRO 10 2HG PRO 10 6.772 7.849 6.675
79 HG3 PRO 10 3HG PRO 10 6.249 8.664 5.189
80 HD2 PRO 10 2HD PRO 10 4.557 8.140 7.237
81 HD3 PRO 10 3HD PRO 10 4.029 8.154 5.541
82 H LEU 11 H LEU 11 6.268 3.050 5.624
83 HA LEU 11 HA LEU 11 7.703 3.196 8.194
84 HB2 LEU 11 2HB LEU 11 7.194 0.688 8.286
85 HB3 LEU 11 3HB LEU 11 5.893 1.818 8.651
86 HG LEU 11 HG LEU 11 6.176 0.691 5.893
87 HD11 LEU 11 1HD1 LEU 11 6.039 -1.001 8.007
88 HD12 LEU 11 2HD1 LEU 11 5.366 -1.335 6.412
89 HD13 LEU 11 3HD1 LEU 11 4.328 -0.707 7.692
90 HD21 LEU 11 1HD2 LEU 11 4.465 2.511 7.073
91 HD22 LEU 11 2HD2 LEU 11 3.534 1.013 7.055
92 HD23 LEU 11 3HD2 LEU 11 4.197 1.658 5.553
93 H PHE 12 H PHE 12 8.679 3.628 5.439
94 HA PHE 12 HA PHE 12 10.693 1.479 5.379
95 HB2 PHE 12 2HB PHE 12 10.024 2.988 2.890
96 HB3 PHE 12 3HB PHE 12 10.625 1.344 3.075
97 HD1 PHE 12 HD1 PHE 12 7.606 3.389 3.850
98 HD2 PHE 12 HD2 PHE 12 9.175 -0.399 2.708
99 HE1 PHE 12 HE1 PHE 12 5.318 2.528 3.573
100 HE2 PHE 12 HE2 PHE 12 6.889 -1.266 2.429
101 HZ PHE 12 HZ PHE 12 4.957 0.199 2.860
102 H GLY 13 H GLY 13 10.664 4.132 6.719
103 HA2 GLY 13 2HA GLY 13 12.347 5.916 5.286
104 HA3 GLY 13 3HA GLY 13 12.038 5.953 7.015
Start of MODEL 7
1 H1 VAL 1 H VAL 1 1.884 0.008 1.092
2 HA VAL 1 HA VAL 1 1.314 -0.057 -1.800
3 HB VAL 1 HB VAL 1 3.507 1.477 -0.397
4 HG11 VAL 1 1HG1 VAL 1 4.042 2.301 -2.689
5 HG12 VAL 1 2HG1 VAL 1 4.391 0.589 -2.439
6 HG13 VAL 1 3HG1 VAL 1 2.949 1.075 -3.332
7 HG21 VAL 1 1HG2 VAL 1 0.946 2.248 -0.674
8 HG22 VAL 1 2HG2 VAL 1 2.306 3.370 -0.697
9 HG23 VAL 1 3HG2 VAL 1 1.600 2.810 -2.213
10 H ALA 2 H ALA 2 3.890 -0.619 0.600
11 HA ALA 2 HA ALA 2 4.751 -2.930 -1.015
12 HB1 ALA 2 1HB ALA 2 6.304 -0.745 0.218
13 HB2 ALA 2 2HB ALA 2 6.986 -2.366 0.361
14 HB3 ALA 2 3HB ALA 2 6.631 -1.696 -1.231
15 H ARG 3 H ARG 3 4.950 -1.610 2.296
16 HA ARG 3 HA ARG 3 4.521 -4.348 3.300
17 HB2 ARG 3 2HB ARG 3 6.268 -2.141 4.379
18 HB3 ARG 3 3HB ARG 3 5.776 -3.515 5.361
19 HG2 ARG 3 2HG ARG 3 7.176 -4.938 4.316
20 HG3 ARG 3 3HG ARG 3 6.968 -4.161 2.745
21 HD2 ARG 3 2HD ARG 3 8.665 -2.693 3.094
22 HD3 ARG 3 3HD ARG 3 8.372 -2.603 4.831
23 HE ARG 3 HE ARG 3 9.856 -4.324 5.143
24 HH11 ARG 3 1HH1 ARG 3 9.041 -4.094 1.766
25 HH12 ARG 3 2HH1 ARG 3 10.253 -5.224 1.262
26 HH21 ARG 3 1HH2 ARG 3 11.456 -5.814 4.491
27 HH22 ARG 3 2HH2 ARG 3 11.626 -6.202 2.813
28 H GLY 4 H GLY 4 4.514 -1.132 4.828
29 HA2 GLY 4 2HA GLY 4 1.772 -1.716 5.766
30 HA3 GLY 4 3HA GLY 4 2.965 -0.857 6.730
31 H TRP 5 H TRP 5 3.368 0.137 3.614
32 HA TRP 5 HA TRP 5 2.608 2.757 4.021
33 HB2 TRP 5 2HB TRP 5 3.727 1.296 1.930
34 HB3 TRP 5 3HB TRP 5 2.257 1.980 1.241
35 HD1 TRP 5 HD1 TRP 5 5.378 2.864 0.601
36 HE1 TRP 5 HE1 TRP 5 5.942 5.370 0.769
37 HE3 TRP 5 HE3 TRP 5 1.479 4.378 3.541
38 HZ2 TRP 5 HZ2 TRP 5 4.875 7.682 1.988
39 HZ3 TRP 5 HZ3 TRP 5 1.324 6.753 4.163
40 HH2 TRP 5 HH2 TRP 5 2.989 8.369 3.402
41 H GLY 6 H GLY 6 0.582 2.973 4.949
42 HA2 GLY 6 2HA GLY 6 -1.732 1.953 3.474
43 HA3 GLY 6 3HA GLY 6 -1.755 2.640 5.092
44 H ARG 7 H ARG 7 -1.492 4.970 5.294
45 HA ARG 7 HA ARG 7 -2.505 6.380 2.912
46 HB2 ARG 7 2HB ARG 7 -3.157 6.654 5.825
47 HB3 ARG 7 3HB ARG 7 -3.348 8.034 4.752
48 HG2 ARG 7 2HG ARG 7 -4.793 6.562 3.305
49 HG3 ARG 7 3HG ARG 7 -4.754 5.384 4.618
50 HD2 ARG 7 2HD ARG 7 -6.481 6.454 5.520
51 HD3 ARG 7 3HD ARG 7 -5.394 7.805 5.839
52 HE ARG 7 HE ARG 7 -6.171 8.213 3.276
53 HH11 ARG 7 1HH1 ARG 7 -7.887 7.675 6.256
54 HH12 ARG 7 2HH1 ARG 7 -9.267 8.609 5.782
55 HH21 ARG 7 1HH2 ARG 7 -7.982 9.445 2.640
56 HH22 ARG 7 2HH2 ARG 7 -9.320 9.614 3.725
57 H LYS 8 H LYS 8 -1.241 7.600 5.989
58 HA LYS 8 HA LYS 8 0.945 8.901 4.504
59 HB2 LYS 8 2HB LYS 8 0.680 10.896 5.870
60 HB3 LYS 8 3HB LYS 8 -0.824 10.535 5.031
61 HG2 LYS 8 2HG LYS 8 -0.391 9.567 7.825
62 HG3 LYS 8 3HG LYS 8 -0.886 11.234 7.518
63 HD2 LYS 8 2HD LYS 8 -2.663 9.997 5.967
64 HD3 LYS 8 3HD LYS 8 -2.378 8.698 7.127
65 HE2 LYS 8 2HE LYS 8 -2.882 10.274 8.960
66 HE3 LYS 8 3HE LYS 8 -3.243 11.518 7.764
67 HZ1 LYS 8 1HZ LYS 8 -5.044 10.180 6.928
68 HZ2 LYS 8 2HZ LYS 8 -5.242 10.402 8.593
69 HZ3 LYS 8 3HZ LYS 8 -4.671 8.924 7.998
70 H CYS 9 H CYS 9 0.965 6.423 6.009
71 HA CYS 9 HA CYS 9 2.822 7.190 8.164
72 HB2 CYS 9 2HB CYS 9 0.770 4.996 8.051
73 HB3 CYS 9 3HB CYS 9 2.166 4.867 9.113
74 HG CYS 9 HG CYS 9 1.504 6.803 10.826
75 HA PRO 10 HA PRO 10 5.148 4.789 4.955
76 HB2 PRO 10 2HB PRO 10 7.337 6.394 5.013
77 HB3 PRO 10 3HB PRO 10 5.931 6.722 3.992
78 HG2 PRO 10 2HG PRO 10 6.662 7.902 6.645
79 HG3 PRO 10 3HG PRO 10 6.029 8.708 5.199
80 HD2 PRO 10 2HD PRO 10 4.464 8.070 7.314
81 HD3 PRO 10 3HD PRO 10 3.857 8.079 5.645
82 H LEU 11 H LEU 11 6.356 3.098 5.542
83 HA LEU 11 HA LEU 11 7.900 3.282 8.046
84 HB2 LEU 11 2HB LEU 11 7.526 0.750 8.120
85 HB3 LEU 11 3HB LEU 11 6.187 1.806 8.563
86 HG LEU 11 HG LEU 11 6.397 0.734 5.777
87 HD11 LEU 11 1HD1 LEU 11 5.719 -1.338 6.300
88 HD12 LEU 11 2HD1 LEU 11 4.712 -0.784 7.637
89 HD13 LEU 11 3HD1 LEU 11 6.448 -0.992 7.868
90 HD21 LEU 11 1HD2 LEU 11 4.358 1.601 5.544
91 HD22 LEU 11 2HD2 LEU 11 4.652 2.446 7.064
92 HD23 LEU 11 3HD2 LEU 11 3.801 0.901 7.064
93 H PHE 12 H PHE 12 8.722 3.803 5.255
94 HA PHE 12 HA PHE 12 10.839 1.762 5.068
95 HB2 PHE 12 2HB PHE 12 9.978 3.269 2.637
96 HB3 PHE 12 3HB PHE 12 10.671 1.656 2.768
97 HD1 PHE 12 HD1 PHE 12 9.297 -0.155 2.439
98 HD2 PHE 12 HD2 PHE 12 7.589 3.530 3.714
99 HE1 PHE 12 HE1 PHE 12 7.048 -1.135 2.250
100 HE2 PHE 12 HE2 PHE 12 5.338 2.555 3.528
101 HZ PHE 12 HZ PHE 12 5.065 0.219 2.796
102 H GLY 13 H GLY 13 10.749 4.381 6.459
103 HA2 GLY 13 2HA GLY 13 12.094 6.403 5.110
104 HA3 GLY 13 3HA GLY 13 12.198 6.120 6.842
Start of MODEL 8
1 H1 VAL 1 H VAL 1 1.785 0.126 1.010
2 HA VAL 1 HA VAL 1 1.335 0.031 -1.902
3 HB VAL 1 HB VAL 1 3.551 1.467 -0.435
4 HG11 VAL 1 1HG1 VAL 1 4.233 2.208 -2.715
5 HG12 VAL 1 2HG1 VAL 1 4.467 0.484 -2.420
6 HG13 VAL 1 3HG1 VAL 1 3.097 1.037 -3.383
7 HG21 VAL 1 1HG2 VAL 1 2.476 3.416 -0.822
8 HG22 VAL 1 2HG2 VAL 1 1.805 2.868 -2.358
9 HG23 VAL 1 3HG2 VAL 1 1.052 2.377 -0.841
10 H ALA 2 H ALA 2 3.770 -0.625 0.619
11 HA ALA 2 HA ALA 2 4.564 -3.016 -0.913
12 HB1 ALA 2 1HB ALA 2 6.766 -2.550 0.552
13 HB2 ALA 2 2HB ALA 2 6.521 -1.899 -1.069
14 HB3 ALA 2 3HB ALA 2 6.188 -0.897 0.344
15 H ARG 3 H ARG 3 4.698 -1.639 2.379
16 HA ARG 3 HA ARG 3 4.068 -4.325 3.414
17 HB2 ARG 3 2HB ARG 3 5.977 -2.238 4.409
18 HB3 ARG 3 3HB ARG 3 5.255 -3.377 5.538
19 HG2 ARG 3 2HG ARG 3 6.960 -4.714 5.047
20 HG3 ARG 3 3HG ARG 3 6.147 -5.000 3.507
21 HD2 ARG 3 2HD ARG 3 7.563 -3.639 2.348
22 HD3 ARG 3 3HD ARG 3 7.859 -2.588 3.733
23 HE ARG 3 HE ARG 3 8.991 -5.090 4.265
24 HH11 ARG 3 1HH1 ARG 3 9.429 -2.381 2.122
25 HH12 ARG 3 2HH1 ARG 3 11.134 -2.629 1.946
26 HH21 ARG 3 1HH2 ARG 3 11.236 -5.427 4.041
27 HH22 ARG 3 2HH2 ARG 3 12.161 -4.362 3.037
28 H GLY 4 H GLY 4 4.183 -1.081 4.878
29 HA2 GLY 4 2HA GLY 4 1.375 -1.488 5.708
30 HA3 GLY 4 3HA GLY 4 2.574 -0.677 6.705
31 H TRP 5 H TRP 5 3.165 0.223 3.591
32 HA TRP 5 HA TRP 5 2.542 2.892 3.915
33 HB2 TRP 5 2HB TRP 5 3.662 1.324 1.902
34 HB3 TRP 5 3HB TRP 5 2.265 2.076 1.137
35 HD1 TRP 5 HD1 TRP 5 5.456 2.765 0.616
36 HE1 TRP 5 HE1 TRP 5 6.157 5.238 0.761
37 HE3 TRP 5 HE3 TRP 5 1.531 4.563 3.355
38 HZ2 TRP 5 HZ2 TRP 5 5.176 7.633 1.887
39 HZ3 TRP 5 HZ3 TRP 5 1.488 6.956 3.924
40 HH2 TRP 5 HH2 TRP 5 3.274 8.458 3.205
41 H GLY 6 H GLY 6 0.494 3.242 4.749
42 HA2 GLY 6 2HA GLY 6 -1.810 2.325 3.195
43 HA3 GLY 6 3HA GLY 6 -1.861 3.047 4.797
44 H ARG 7 H ARG 7 -1.472 5.363 4.965
45 HA ARG 7 HA ARG 7 -2.299 6.775 2.514
46 HB2 ARG 7 2HB ARG 7 -3.163 7.007 5.345
47 HB3 ARG 7 3HB ARG 7 -3.022 8.506 4.435
48 HG2 ARG 7 2HG ARG 7 -4.725 7.952 2.994
49 HG3 ARG 7 3HG ARG 7 -4.527 6.218 3.258
50 HD2 ARG 7 2HD ARG 7 -5.209 6.985 5.740
51 HD3 ARG 7 3HD ARG 7 -6.052 8.220 4.806
52 HE ARG 7 HE ARG 7 -6.721 5.878 3.584
53 HH11 ARG 7 1HH1 ARG 7 -6.926 7.089 6.841
54 HH12 ARG 7 2HH1 ARG 7 -8.334 6.161 7.237
55 HH21 ARG 7 1HH2 ARG 7 -8.575 4.651 4.093
56 HH22 ARG 7 2HH2 ARG 7 -9.271 4.774 5.673
57 H LYS 8 H LYS 8 -1.099 7.988 5.620
58 HA LYS 8 HA LYS 8 1.220 9.129 4.208
59 HB2 LYS 8 2HB LYS 8 1.013 11.165 5.522
60 HB3 LYS 8 3HB LYS 8 -0.472 10.872 4.626
61 HG2 LYS 8 2HG LYS 8 -0.215 9.942 7.453
62 HG3 LYS 8 3HG LYS 8 -0.599 11.627 7.095
63 HD2 LYS 8 2HD LYS 8 -2.377 10.461 5.490
64 HD3 LYS 8 3HD LYS 8 -2.218 9.173 6.686
65 HE2 LYS 8 2HE LYS 8 -2.832 12.052 7.340
66 HE3 LYS 8 3HE LYS 8 -4.046 10.783 7.180
67 HZ1 LYS 8 1HZ LYS 8 -2.268 11.350 9.365
68 HZ2 LYS 8 2HZ LYS 8 -2.271 9.718 8.923
69 HZ3 LYS 8 3HZ LYS 8 -3.720 10.480 9.350
70 H CYS 9 H CYS 9 1.032 6.687 5.758
71 HA CYS 9 HA CYS 9 2.838 7.392 7.978
72 HB2 CYS 9 2HB CYS 9 0.759 5.209 7.816
73 HB3 CYS 9 3HB CYS 9 2.025 5.233 9.037
74 HG CYS 9 HG CYS 9 0.783 6.751 10.687
75 HA PRO 10 HA PRO 10 5.155 4.795 4.918
76 HB2 PRO 10 2HB PRO 10 7.428 6.274 5.042
77 HB3 PRO 10 3HB PRO 10 6.089 6.660 3.955
78 HG2 PRO 10 2HG PRO 10 6.773 7.852 6.614
79 HG3 PRO 10 3HG PRO 10 6.250 8.662 5.126
80 HD2 PRO 10 2HD PRO 10 4.562 8.159 7.183
81 HD3 PRO 10 3HD PRO 10 4.028 8.168 5.490
82 H LEU 11 H LEU 11 6.236 3.050 5.590
83 HA LEU 11 HA LEU 11 7.681 3.201 8.155
84 HB2 LEU 11 2HB LEU 11 7.159 0.697 8.261
85 HB3 LEU 11 3HB LEU 11 5.865 1.837 8.625
86 HG LEU 11 HG LEU 11 6.131 0.694 5.872
87 HD11 LEU 11 1HD1 LEU 11 4.283 -0.684 7.685
88 HD12 LEU 11 2HD1 LEU 11 5.992 -0.986 7.996
89 HD13 LEU 11 3HD1 LEU 11 5.313 -1.325 6.404
90 HD21 LEU 11 1HD2 LEU 11 3.496 1.036 7.039
91 HD22 LEU 11 2HD2 LEU 11 4.157 1.671 5.533
92 HD23 LEU 11 3HD2 LEU 11 4.435 2.530 7.049
93 H PHE 12 H PHE 12 8.649 3.613 5.393
94 HA PHE 12 HA PHE 12 10.651 1.452 5.337
95 HB2 PHE 12 2HB PHE 12 9.982 2.952 2.842
96 HB3 PHE 12 3HB PHE 12 10.573 1.304 3.034
97 HD1 PHE 12 HD1 PHE 12 9.112 -0.431 2.681
98 HD2 PHE 12 HD2 PHE 12 7.569 3.372 3.809
99 HE1 PHE 12 HE1 PHE 12 6.820 -1.286 2.414
100 HE2 PHE 12 HE2 PHE 12 5.275 2.523 3.545
101 HZ PHE 12 HZ PHE 12 4.897 0.192 2.847
102 H GLY 13 H GLY 13 10.645 4.110 6.665
103 HA2 GLY 13 2HA GLY 13 12.866 5.383 5.195
104 HA3 GLY 13 3HA GLY 13 11.804 6.219 6.318
Start of MODEL 9
1 H1 VAL 1 H VAL 1 1.789 0.031 1.025
2 HA VAL 1 HA VAL 1 1.246 -0.030 -1.872
3 HB VAL 1 HB VAL 1 3.473 1.440 -0.455
4 HG11 VAL 1 1HG1 VAL 1 4.349 0.514 -2.482
5 HG12 VAL 1 2HG1 VAL 1 2.932 1.041 -3.394
6 HG13 VAL 1 3HG1 VAL 1 4.059 2.233 -2.745
7 HG21 VAL 1 1HG2 VAL 1 2.337 3.367 -0.775
8 HG22 VAL 1 2HG2 VAL 1 1.629 2.825 -2.297
9 HG23 VAL 1 3HG2 VAL 1 0.939 2.291 -0.764
10 H ALA 2 H ALA 2 3.778 -0.661 0.557
11 HA ALA 2 HA ALA 2 4.581 -3.008 -1.038
12 HB1 ALA 2 1HB ALA 2 6.502 -1.838 -1.241
13 HB2 ALA 2 2HB ALA 2 6.192 -0.867 0.198
14 HB3 ALA 2 3HB ALA 2 6.818 -2.507 0.360
15 H ARG 3 H ARG 3 4.789 -1.678 2.269
16 HA ARG 3 HA ARG 3 4.262 -4.396 3.281
17 HB2 ARG 3 2HB ARG 3 6.090 -2.248 4.334
18 HB3 ARG 3 3HB ARG 3 5.514 -3.555 5.360
19 HG2 ARG 3 2HG ARG 3 6.897 -5.057 4.440
20 HG3 ARG 3 3HG ARG 3 6.659 -4.427 2.809
21 HD2 ARG 3 2HD ARG 3 8.177 -2.583 3.287
22 HD3 ARG 3 3HD ARG 3 8.389 -3.170 4.936
23 HE ARG 3 HE ARG 3 9.062 -5.126 2.953
24 HH11 ARG 3 1HH1 ARG 3 10.226 -2.373 4.739
25 HH12 ARG 3 2HH1 ARG 3 11.894 -2.819 4.592
26 HH21 ARG 3 1HH2 ARG 3 11.255 -5.723 2.753
27 HH22 ARG 3 2HH2 ARG 3 12.478 -4.724 3.461
28 H GLY 4 H GLY 4 4.343 -1.172 4.792
29 HA2 GLY 4 2HA GLY 4 1.575 -1.663 5.707
30 HA3 GLY 4 3HA GLY 4 2.786 -0.837 6.677
31 H TRP 5 H TRP 5 3.251 0.125 3.561
32 HA TRP 5 HA TRP 5 2.572 2.771 3.948
33 HB2 TRP 5 2HB TRP 5 3.664 1.264 1.875
34 HB3 TRP 5 3HB TRP 5 2.224 1.992 1.168
35 HD1 TRP 5 HD1 TRP 5 5.378 2.771 0.554
36 HE1 TRP 5 HE1 TRP 5 6.021 5.258 0.716
37 HE3 TRP 5 HE3 TRP 5 1.501 4.425 3.448
38 HZ2 TRP 5 HZ2 TRP 5 5.018 7.609 1.913
39 HZ3 TRP 5 HZ3 TRP 5 1.418 6.807 4.058
40 HH2 TRP 5 HH2 TRP 5 3.140 8.365 3.305
41 H GLY 6 H GLY 6 0.545 3.057 4.854
42 HA2 GLY 6 2HA GLY 6 -1.786 2.105 3.361
43 HA3 GLY 6 3HA GLY 6 -1.802 2.800 4.975
44 H ARG 7 H ARG 7 -1.466 5.122 5.169
45 HA ARG 7 HA ARG 7 -2.410 6.551 2.771
46 HB2 ARG 7 2HB ARG 7 -3.250 6.638 5.593
47 HB3 ARG 7 3HB ARG 7 -3.053 8.212 4.835
48 HG2 ARG 7 2HG ARG 7 -4.554 7.429 3.000
49 HG3 ARG 7 3HG ARG 7 -4.855 5.973 3.951
50 HD2 ARG 7 2HD ARG 7 -5.274 8.010 5.759
51 HD3 ARG 7 3HD ARG 7 -5.925 8.665 4.257
52 HE ARG 7 HE ARG 7 -6.803 5.989 4.797
53 HH11 ARG 7 1HH1 ARG 7 -7.388 9.361 5.437
54 HH12 ARG 7 2HH1 ARG 7 -9.065 9.134 5.808
55 HH21 ARG 7 1HH2 ARG 7 -9.010 5.678 5.283
56 HH22 ARG 7 2HH2 ARG 7 -9.986 7.039 5.721
57 H LYS 8 H LYS 8 -1.137 7.746 5.854
58 HA LYS 8 HA LYS 8 1.104 8.967 4.385
59 HB2 LYS 8 2HB LYS 8 0.890 10.977 5.738
60 HB3 LYS 8 3HB LYS 8 -0.616 10.660 4.886
61 HG2 LYS 8 2HG LYS 8 -0.241 9.694 7.689
62 HG3 LYS 8 3HG LYS 8 -0.679 11.374 7.370
63 HD2 LYS 8 2HD LYS 8 -2.480 10.188 5.807
64 HD3 LYS 8 3HD LYS 8 -2.249 8.886 6.976
65 HE2 LYS 8 2HE LYS 8 -2.825 10.354 8.796
66 HE3 LYS 8 3HE LYS 8 -2.901 11.738 7.706
67 HZ1 LYS 8 1HZ LYS 8 -4.694 9.371 7.622
68 HZ2 LYS 8 2HZ LYS 8 -4.768 10.698 6.576
69 HZ3 LYS 8 3HZ LYS 8 -5.104 10.899 8.222
70 H CYS 9 H CYS 9 1.029 6.498 5.901
71 HA CYS 9 HA CYS 9 2.890 7.215 8.071
72 HB2 CYS 9 2HB CYS 9 0.641 5.274 7.988
73 HB3 CYS 9 3HB CYS 9 2.090 4.778 8.855
74 HG CYS 9 HG CYS 9 1.892 6.429 10.895
75 HA PRO 10 HA PRO 10 5.168 4.725 4.896
76 HB2 PRO 10 2HB PRO 10 7.406 6.260 4.969
77 HB3 PRO 10 3HB PRO 10 6.023 6.628 3.933
78 HG2 PRO 10 2HG PRO 10 6.765 7.796 6.587
79 HG3 PRO 10 3HG PRO 10 6.172 8.616 5.131
80 HD2 PRO 10 2HD PRO 10 4.566 8.038 7.233
81 HD3 PRO 10 3HD PRO 10 3.977 8.059 5.559
82 H LEU 11 H LEU 11 6.315 2.999 5.504
83 HA LEU 11 HA LEU 11 7.840 3.147 8.022
84 HB2 LEU 11 2HB LEU 11 7.384 0.628 8.104
85 HB3 LEU 11 3HB LEU 11 6.075 1.729 8.529
86 HG LEU 11 HG LEU 11 6.277 0.637 5.750
87 HD11 LEU 11 1HD1 LEU 11 4.526 -0.818 7.599
88 HD12 LEU 11 2HD1 LEU 11 6.252 -1.079 7.850
89 HD13 LEU 11 3HD1 LEU 11 5.530 -1.411 6.275
90 HD21 LEU 11 1HD2 LEU 11 4.576 2.410 7.012
91 HD22 LEU 11 2HD2 LEU 11 3.675 0.893 7.012
92 HD23 LEU 11 3HD2 LEU 11 4.269 1.568 5.494
93 H PHE 12 H PHE 12 8.705 3.626 5.237
94 HA PHE 12 HA PHE 12 10.757 1.518 5.081
95 HB2 PHE 12 2HB PHE 12 9.969 3.038 2.634
96 HB3 PHE 12 3HB PHE 12 10.607 1.404 2.779
97 HD1 PHE 12 HD1 PHE 12 9.178 -0.363 2.446
98 HD2 PHE 12 HD2 PHE 12 7.579 3.382 3.686
99 HE1 PHE 12 HE1 PHE 12 6.901 -1.271 2.240
100 HE2 PHE 12 HE2 PHE 12 5.299 2.479 3.483
101 HZ PHE 12 HZ PHE 12 4.958 0.150 2.760
102 H GLY 13 H GLY 13 10.738 4.145 6.458
103 HA2 GLY 13 2HA GLY 13 12.272 6.026 5.015
104 HA3 GLY 13 3HA GLY 13 12.128 5.946 6.765
Start of MODEL 10
1 H1 VAL 1 H VAL 1 1.681 0.013 1.011
2 HA VAL 1 HA VAL 1 0.968 0.022 -1.850
3 HB VAL 1 HB VAL 1 3.239 1.508 -0.522
4 HG11 VAL 1 1HG1 VAL 1 2.534 1.179 -3.434
5 HG12 VAL 1 2HG1 VAL 1 3.667 2.383 -2.818
6 HG13 VAL 1 3HG1 VAL 1 4.014 0.664 -2.625
7 HG21 VAL 1 1HG2 VAL 1 0.672 2.301 -0.654
8 HG22 VAL 1 2HG2 VAL 1 2.038 3.414 -0.715
9 HG23 VAL 1 3HG2 VAL 1 1.255 2.898 -2.208
10 H ALA 2 H ALA 2 3.655 -0.614 0.405
11 HA ALA 2 HA ALA 2 4.419 -2.890 -1.306
12 HB1 ALA 2 1HB ALA 2 6.296 -1.667 -1.584
13 HB2 ALA 2 2HB ALA 2 6.047 -0.745 -0.102
14 HB3 ALA 2 3HB ALA 2 6.721 -2.372 -0.025
15 H ARG 3 H ARG 3 4.791 -1.654 2.023
16 HA ARG 3 HA ARG 3 4.390 -4.413 2.980
17 HB2 ARG 3 2HB ARG 3 6.254 -2.261 3.942
18 HB3 ARG 3 3HB ARG 3 5.731 -3.547 5.021
19 HG2 ARG 3 2HG ARG 3 6.955 -5.133 3.953
20 HG3 ARG 3 3HG ARG 3 6.810 -4.344 2.381
21 HD2 ARG 3 2HD ARG 3 8.964 -3.797 2.743
22 HD3 ARG 3 3HD ARG 3 8.263 -2.505 3.718
23 HE ARG 3 HE ARG 3 8.703 -4.928 5.190
24 HH11 ARG 3 1HH1 ARG 3 10.164 -1.983 4.047
25 HH12 ARG 3 2HH1 ARG 3 11.377 -1.951 5.283
26 HH21 ARG 3 1HH2 ARG 3 10.295 -4.898 6.822
27 HH22 ARG 3 2HH2 ARG 3 11.452 -3.611 6.861
28 H GLY 4 H GLY 4 4.483 -1.234 4.582
29 HA2 GLY 4 2HA GLY 4 1.787 -1.823 5.642
30 HA3 GLY 4 3HA GLY 4 3.033 -0.995 6.565
31 H TRP 5 H TRP 5 3.289 0.071 3.457
32 HA TRP 5 HA TRP 5 2.570 2.686 3.965
33 HB2 TRP 5 2HB TRP 5 3.573 1.269 1.786
34 HB3 TRP 5 3HB TRP 5 2.076 1.979 1.188
35 HD1 TRP 5 HD1 TRP 5 5.168 2.857 0.414
36 HE1 TRP 5 HE1 TRP 5 5.759 5.354 0.614
37 HE3 TRP 5 HE3 TRP 5 1.432 4.325 3.581
38 HZ2 TRP 5 HZ2 TRP 5 4.773 7.643 1.940
39 HZ3 TRP 5 HZ3 TRP 5 1.327 6.685 4.267
40 HH2 TRP 5 HH2 TRP 5 2.964 8.309 3.463
41 H GLY 6 H GLY 6 0.594 2.892 4.997
42 HA2 GLY 6 2HA GLY 6 -1.798 1.924 3.616
43 HA3 GLY 6 3HA GLY 6 -1.735 2.571 5.249
44 H ARG 7 H ARG 7 -1.443 4.895 5.492
45 HA ARG 7 HA ARG 7 -2.561 6.368 3.197
46 HB2 ARG 7 2HB ARG 7 -3.187 6.407 6.093
47 HB3 ARG 7 3HB ARG 7 -3.168 7.967 5.281
48 HG2 ARG 7 2HG ARG 7 -4.814 7.171 3.677
49 HG3 ARG 7 3HG ARG 7 -4.811 5.585 4.450
50 HD2 ARG 7 2HD ARG 7 -6.497 6.353 5.695
51 HD3 ARG 7 3HD ARG 7 -5.280 7.301 6.548
52 HE ARG 7 HE ARG 7 -6.150 9.186 5.599
53 HH11 ARG 7 1HH1 ARG 7 -7.224 6.416 3.784
54 HH12 ARG 7 2HH1 ARG 7 -8.301 7.328 2.780
55 HH21 ARG 7 1HH2 ARG 7 -7.565 10.398 4.283
56 HH22 ARG 7 2HH2 ARG 7 -8.494 9.593 3.064
57 H LYS 8 H LYS 8 -1.138 7.504 6.237
58 HA LYS 8 HA LYS 8 0.982 8.827 4.678
59 HB2 LYS 8 2HB LYS 8 0.799 10.789 6.103
60 HB3 LYS 8 3HB LYS 8 -0.746 10.458 5.332
61 HG2 LYS 8 2HG LYS 8 -0.183 9.419 8.076
62 HG3 LYS 8 3HG LYS 8 -0.680 11.096 7.836
63 HD2 LYS 8 2HD LYS 8 -2.541 9.911 6.345
64 HD3 LYS 8 3HD LYS 8 -2.210 8.580 7.457
65 HE2 LYS 8 2HE LYS 8 -3.016 9.716 9.271
66 HE3 LYS 8 3HE LYS 8 -2.611 11.295 8.599
67 HZ1 LYS 8 1HZ LYS 8 -4.641 11.495 7.762
68 HZ2 LYS 8 2HZ LYS 8 -5.089 10.119 8.638
69 HZ3 LYS 8 3HZ LYS 8 -4.583 9.971 7.030
70 H CYS 9 H CYS 9 1.056 6.312 6.119
71 HA CYS 9 HA CYS 9 3.024 7.013 8.198
72 HB2 CYS 9 2HB CYS 9 1.173 4.622 8.121
73 HB3 CYS 9 3HB CYS 9 2.420 4.897 9.331
74 HG CYS 9 HG CYS 9 0.730 7.597 9.427
75 HA PRO 10 HA PRO 10 5.170 4.678 4.819
76 HB2 PRO 10 2HB PRO 10 7.371 6.267 4.808
77 HB3 PRO 10 3HB PRO 10 5.919 6.629 3.866
78 HG2 PRO 10 2HG PRO 10 6.789 7.738 6.507
79 HG3 PRO 10 3HG PRO 10 6.091 8.584 5.114
80 HD2 PRO 10 2HD PRO 10 4.628 7.904 7.288
81 HD3 PRO 10 3HD PRO 10 3.939 7.958 5.653
82 H LEU 11 H LEU 11 6.392 2.964 5.305
83 HA LEU 11 HA LEU 11 8.060 3.078 7.732
84 HB2 LEU 11 2HB LEU 11 7.671 0.548 7.764
85 HB3 LEU 11 3HB LEU 11 6.363 1.601 8.299
86 HG LEU 11 HG LEU 11 6.427 0.596 5.480
87 HD11 LEU 11 1HD1 LEU 11 6.567 -1.181 7.524
88 HD12 LEU 11 2HD1 LEU 11 5.758 -1.485 5.986
89 HD13 LEU 11 3HD1 LEU 11 4.823 -0.956 7.385
90 HD21 LEU 11 1HD2 LEU 11 4.761 2.286 6.894
91 HD22 LEU 11 2HD2 LEU 11 3.898 0.748 6.899
92 HD23 LEU 11 3HD2 LEU 11 4.385 1.482 5.370
93 H PHE 12 H PHE 12 8.747 3.661 4.918
94 HA PHE 12 HA PHE 12 10.836 1.612 4.576
95 HB2 PHE 12 2HB PHE 12 9.866 3.183 2.228
96 HB3 PHE 12 3HB PHE 12 10.552 1.562 2.285
97 HD1 PHE 12 HD1 PHE 12 9.149 -0.230 1.982
98 HD2 PHE 12 HD2 PHE 12 7.536 3.433 3.429
99 HE1 PHE 12 HE1 PHE 12 6.886 -1.191 1.882
100 HE2 PHE 12 HE2 PHE 12 5.271 2.478 3.332
101 HZ PHE 12 HZ PHE 12 4.943 0.163 2.558
102 H GLY 13 H GLY 13 10.830 4.201 6.029
103 HA2 GLY 13 2HA GLY 13 12.579 5.879 4.404
104 HA3 GLY 13 3HA GLY 13 11.943 6.271 5.994
Start of MODEL 11
1 H1 VAL 1 H VAL 1 1.548 0.120 1.254
2 HA VAL 1 HA VAL 1 0.870 0.041 -1.614
3 HB VAL 1 HB VAL 1 3.177 1.496 -0.315
4 HG11 VAL 1 1HG1 VAL 1 2.496 1.078 -3.221
5 HG12 VAL 1 2HG1 VAL 1 3.666 2.262 -2.637
6 HG13 VAL 1 3HG1 VAL 1 3.945 0.540 -2.373
7 HG21 VAL 1 1HG2 VAL 1 2.050 3.434 -0.600
8 HG22 VAL 1 2HG2 VAL 1 1.266 2.887 -2.082
9 HG23 VAL 1 3HG2 VAL 1 0.642 2.375 -0.514
10 H ALA 2 H ALA 2 3.504 -0.601 0.701
11 HA ALA 2 HA ALA 2 4.206 -2.970 -0.908
12 HB1 ALA 2 1HB ALA 2 6.130 -1.829 -1.210
13 HB2 ALA 2 2HB ALA 2 5.895 -0.837 0.230
14 HB3 ALA 2 3HB ALA 2 6.510 -2.483 0.384
15 H ARG 3 H ARG 3 4.582 -1.615 2.374
16 HA ARG 3 HA ARG 3 4.070 -4.318 3.433
17 HB2 ARG 3 2HB ARG 3 5.960 -2.180 4.399
18 HB3 ARG 3 3HB ARG 3 5.430 -3.495 5.440
19 HG2 ARG 3 2HG ARG 3 6.751 -5.000 4.430
20 HG3 ARG 3 3HG ARG 3 6.462 -4.330 2.823
21 HD2 ARG 3 2HD ARG 3 8.143 -2.748 3.042
22 HD3 ARG 3 3HD ARG 3 8.123 -2.826 4.803
23 HE ARG 3 HE ARG 3 8.941 -5.309 4.009
24 HH11 ARG 3 1HH1 ARG 3 10.039 -2.051 3.461
25 HH12 ARG 3 2HH1 ARG 3 11.703 -2.501 3.291
26 HH21 ARG 3 1HH2 ARG 3 11.129 -5.915 3.787
27 HH22 ARG 3 2HH2 ARG 3 12.322 -4.699 3.476
28 H GLY 4 H GLY 4 4.259 -1.083 4.909
29 HA2 GLY 4 2HA GLY 4 1.531 -1.532 5.955
30 HA3 GLY 4 3HA GLY 4 2.794 -0.713 6.862
31 H TRP 5 H TRP 5 3.126 0.218 3.718
32 HA TRP 5 HA TRP 5 2.497 2.875 4.112
33 HB2 TRP 5 2HB TRP 5 3.473 1.337 2.004
34 HB3 TRP 5 3HB TRP 5 2.010 2.076 1.359
35 HD1 TRP 5 HD1 TRP 5 5.142 2.811 0.592
36 HE1 TRP 5 HE1 TRP 5 5.822 5.290 0.702
37 HE3 TRP 5 HE3 TRP 5 1.425 4.537 3.648
38 HZ2 TRP 5 HZ2 TRP 5 4.905 7.664 1.923
39 HZ3 TRP 5 HZ3 TRP 5 1.399 6.926 4.239
40 HH2 TRP 5 HH2 TRP 5 3.104 8.455 3.394
41 H GLY 6 H GLY 6 0.518 3.193 5.109
42 HA2 GLY 6 2HA GLY 6 -1.891 2.258 3.735
43 HA3 GLY 6 3HA GLY 6 -1.824 2.967 5.342
44 H ARG 7 H ARG 7 -1.449 5.286 5.497
45 HA ARG 7 HA ARG 7 -2.486 6.706 3.132
46 HB2 ARG 7 2HB ARG 7 -2.967 7.134 6.071
47 HB3 ARG 7 3HB ARG 7 -3.254 8.414 4.900
48 HG2 ARG 7 2HG ARG 7 -4.488 5.899 4.131
49 HG3 ARG 7 3HG ARG 7 -5.058 6.498 5.690
50 HD2 ARG 7 2HD ARG 7 -6.225 8.140 4.733
51 HD3 ARG 7 3HD ARG 7 -4.865 8.612 3.717
52 HE ARG 7 HE ARG 7 -5.852 7.499 1.993
53 HH11 ARG 7 1HH1 ARG 7 -7.114 6.242 4.984
54 HH12 ARG 7 2HH1 ARG 7 -8.265 5.202 4.213
55 HH21 ARG 7 1HH2 ARG 7 -7.363 6.133 0.966
56 HH22 ARG 7 2HH2 ARG 7 -8.405 5.140 1.928
57 H LYS 8 H LYS 8 -1.058 7.911 6.143
58 HA LYS 8 HA LYS 8 1.127 9.093 4.562
59 HB2 LYS 8 2HB LYS 8 0.999 11.116 5.906
60 HB3 LYS 8 3HB LYS 8 -0.548 10.811 5.127
61 HG2 LYS 8 2HG LYS 8 -0.057 9.862 7.917
62 HG3 LYS 8 3HG LYS 8 -0.489 11.545 7.605
63 HD2 LYS 8 2HD LYS 8 -2.374 10.368 6.136
64 HD3 LYS 8 3HD LYS 8 -2.105 9.073 7.304
65 HE2 LYS 8 2HE LYS 8 -2.251 11.607 8.648
66 HE3 LYS 8 3HE LYS 8 -3.668 11.385 7.623
67 HZ1 LYS 8 1HZ LYS 8 -3.589 9.013 8.742
68 HZ2 LYS 8 2HZ LYS 8 -4.378 10.318 9.474
69 HZ3 LYS 8 3HZ LYS 8 -2.823 9.879 9.977
70 H CYS 9 H CYS 9 1.092 6.637 6.102
71 HA CYS 9 HA CYS 9 3.060 7.349 8.177
72 HB2 CYS 9 2HB CYS 9 1.181 4.977 8.180
73 HB3 CYS 9 3HB CYS 9 2.359 5.364 9.428
74 HG CYS 9 HG CYS 9 0.545 6.502 10.844
75 HA PRO 10 HA PRO 10 5.159 4.805 4.922
76 HB2 PRO 10 2HB PRO 10 7.416 6.312 4.878
77 HB3 PRO 10 3HB PRO 10 5.990 6.689 3.903
78 HG2 PRO 10 2HG PRO 10 6.869 7.869 6.510
79 HG3 PRO 10 3HG PRO 10 6.219 8.684 5.075
80 HD2 PRO 10 2HD PRO 10 4.705 8.144 7.255
81 HD3 PRO 10 3HD PRO 10 4.039 8.158 5.609
82 H LEU 11 H LEU 11 6.311 3.069 5.492
83 HA LEU 11 HA LEU 11 7.953 3.219 7.935
84 HB2 LEU 11 2HB LEU 11 7.470 0.708 8.061
85 HB3 LEU 11 3HB LEU 11 6.196 1.828 8.536
86 HG LEU 11 HG LEU 11 6.257 0.709 5.761
87 HD11 LEU 11 1HD1 LEU 11 5.507 -1.323 6.340
88 HD12 LEU 11 2HD1 LEU 11 4.575 -0.706 7.704
89 HD13 LEU 11 3HD1 LEU 11 6.308 -0.988 7.876
90 HD21 LEU 11 1HD2 LEU 11 4.637 2.514 7.084
91 HD22 LEU 11 2HD2 LEU 11 3.718 1.009 7.139
92 HD23 LEU 11 3HD2 LEU 11 4.250 1.663 5.589
93 H PHE 12 H PHE 12 8.694 3.664 5.109
94 HA PHE 12 HA PHE 12 10.710 1.528 4.876
95 HB2 PHE 12 2HB PHE 12 9.828 3.039 2.456
96 HB3 PHE 12 3HB PHE 12 10.452 1.398 2.585
97 HD1 PHE 12 HD1 PHE 12 8.989 -0.353 2.333
98 HD2 PHE 12 HD2 PHE 12 7.494 3.421 3.614
99 HE1 PHE 12 HE1 PHE 12 6.693 -1.235 2.241
100 HE2 PHE 12 HE2 PHE 12 5.197 2.545 3.525
101 HZ PHE 12 HZ PHE 12 4.794 0.214 2.838
102 H GLY 13 H GLY 13 10.774 4.180 6.220
103 HA2 GLY 13 2HA GLY 13 12.178 6.101 4.776
104 HA3 GLY 13 3HA GLY 13 12.295 5.873 6.515
Start of MODEL 12
1 H1 VAL 1 H VAL 1 1.783 0.244 0.691
2 HA VAL 1 HA VAL 1 1.380 0.225 -2.230
3 HB VAL 1 HB VAL 1 3.568 1.628 -0.690
4 HG11 VAL 1 1HG1 VAL 1 4.281 2.432 -2.941
5 HG12 VAL 1 2HG1 VAL 1 4.519 0.702 -2.685
6 HG13 VAL 1 3HG1 VAL 1 3.161 1.273 -3.655
7 HG21 VAL 1 1HG2 VAL 1 1.847 3.073 -2.602
8 HG22 VAL 1 2HG2 VAL 1 1.072 2.541 -1.110
9 HG23 VAL 1 3HG2 VAL 1 2.492 3.585 -1.043
10 H ALA 2 H ALA 2 3.777 -0.490 0.311
11 HA ALA 2 HA ALA 2 4.603 -2.838 -1.271
12 HB1 ALA 2 1HB ALA 2 6.557 -1.711 -1.368
13 HB2 ALA 2 2HB ALA 2 6.199 -0.748 0.066
14 HB3 ALA 2 3HB ALA 2 6.780 -2.404 0.239
15 H ARG 3 H ARG 3 4.681 -1.548 2.058
16 HA ARG 3 HA ARG 3 4.044 -4.262 3.012
17 HB2 ARG 3 2HB ARG 3 5.891 -2.178 4.145
18 HB3 ARG 3 3HB ARG 3 5.205 -3.434 5.167
19 HG2 ARG 3 2HG ARG 3 6.486 -5.065 4.263
20 HG3 ARG 3 3HG ARG 3 6.505 -4.317 2.665
21 HD2 ARG 3 2HD ARG 3 8.508 -3.457 3.081
22 HD3 ARG 3 3HD ARG 3 7.855 -2.589 4.470
23 HE ARG 3 HE ARG 3 8.269 -5.128 5.382
24 HH11 ARG 3 1HH1 ARG 3 10.251 -2.702 3.863
25 HH12 ARG 3 2HH1 ARG 3 11.708 -3.216 4.646
26 HH21 ARG 3 1HH2 ARG 3 10.181 -5.814 6.419
27 HH22 ARG 3 2HH2 ARG 3 11.668 -4.987 6.099
28 H GLY 4 H GLY 4 4.125 -1.058 4.563
29 HA2 GLY 4 2HA GLY 4 1.306 -1.494 5.337
30 HA3 GLY 4 3HA GLY 4 2.486 -0.707 6.374
31 H TRP 5 H TRP 5 3.123 0.277 3.295
32 HA TRP 5 HA TRP 5 2.486 2.934 3.679
33 HB2 TRP 5 2HB TRP 5 3.642 1.424 1.643
34 HB3 TRP 5 3HB TRP 5 2.255 2.192 0.877
35 HD1 TRP 5 HD1 TRP 5 5.452 2.903 0.424
36 HE1 TRP 5 HE1 TRP 5 6.143 5.373 0.645
37 HE3 TRP 5 HE3 TRP 5 1.480 4.617 3.148
38 HZ2 TRP 5 HZ2 TRP 5 5.138 7.734 1.820
39 HZ3 TRP 5 HZ3 TRP 5 1.421 6.995 3.780
40 HH2 TRP 5 HH2 TRP 5 3.214 8.519 3.129
41 H GLY 6 H GLY 6 0.425 3.258 4.490
42 HA2 GLY 6 2HA GLY 6 -1.852 2.375 2.877
43 HA3 GLY 6 3HA GLY 6 -1.930 3.055 4.496
44 H ARG 7 H ARG 7 -1.548 5.367 4.730
45 HA ARG 7 HA ARG 7 -2.342 6.841 2.305
46 HB2 ARG 7 2HB ARG 7 -3.059 7.288 5.200
47 HB3 ARG 7 3HB ARG 7 -3.304 8.515 3.964
48 HG2 ARG 7 2HG ARG 7 -4.983 7.329 2.926
49 HG3 ARG 7 3HG ARG 7 -4.431 5.782 3.571
50 HD2 ARG 7 2HD ARG 7 -5.426 7.907 5.423
51 HD3 ARG 7 3HD ARG 7 -6.575 6.906 4.535
52 HE ARG 7 HE ARG 7 -4.774 5.173 5.718
53 HH11 ARG 7 1HH1 ARG 7 -7.093 7.558 6.747
54 HH12 ARG 7 2HH1 ARG 7 -7.433 6.768 8.251
55 HH21 ARG 7 1HH2 ARG 7 -5.214 4.123 7.695
56 HH22 ARG 7 2HH2 ARG 7 -6.363 4.815 8.790
57 H LYS 8 H LYS 8 -1.195 7.973 5.461
58 HA LYS 8 HA LYS 8 1.142 9.159 4.117
59 HB2 LYS 8 2HB LYS 8 0.907 11.158 5.483
60 HB3 LYS 8 3HB LYS 8 -0.562 10.885 4.555
61 HG2 LYS 8 2HG LYS 8 -0.348 9.879 7.360
62 HG3 LYS 8 3HG LYS 8 -0.731 11.572 7.041
63 HD2 LYS 8 2HD LYS 8 -2.480 10.447 5.378
64 HD3 LYS 8 3HD LYS 8 -2.336 9.126 6.540
65 HE2 LYS 8 2HE LYS 8 -2.573 11.575 7.973
66 HE3 LYS 8 3HE LYS 8 -3.847 11.515 6.756
67 HZ1 LYS 8 1HZ LYS 8 -4.675 9.520 7.637
68 HZ2 LYS 8 2HZ LYS 8 -4.373 10.497 8.984
69 HZ3 LYS 8 3HZ LYS 8 -3.299 9.253 8.585
70 H CYS 9 H CYS 9 0.937 6.675 5.599
71 HA CYS 9 HA CYS 9 2.705 7.326 7.864
72 HB2 CYS 9 2HB CYS 9 0.764 5.016 7.631
73 HB3 CYS 9 3HB CYS 9 1.877 5.276 8.968
74 HG CYS 9 HG CYS 9 0.649 7.803 9.606
75 HA PRO 10 HA PRO 10 5.078 4.818 4.774
76 HB2 PRO 10 2HB PRO 10 7.344 6.300 4.972
77 HB3 PRO 10 3HB PRO 10 6.021 6.711 3.875
78 HG2 PRO 10 2HG PRO 10 6.660 7.833 6.576
79 HG3 PRO 10 3HG PRO 10 6.157 8.681 5.102
80 HD2 PRO 10 2HD PRO 10 4.439 8.119 7.118
81 HD3 PRO 10 3HD PRO 10 3.932 8.171 5.417
82 H LEU 11 H LEU 11 6.154 3.059 5.416
83 HA LEU 11 HA LEU 11 7.559 3.145 8.006
84 HB2 LEU 11 2HB LEU 11 7.042 0.638 8.038
85 HB3 LEU 11 3HB LEU 11 5.739 1.764 8.411
86 HG LEU 11 HG LEU 11 6.053 0.695 5.633
87 HD11 LEU 11 1HD1 LEU 11 5.886 -1.041 7.709
88 HD12 LEU 11 2HD1 LEU 11 5.231 -1.339 6.099
89 HD13 LEU 11 3HD1 LEU 11 4.180 -0.736 7.380
90 HD21 LEU 11 1HD2 LEU 11 4.332 2.494 6.831
91 HD22 LEU 11 2HD2 LEU 11 3.398 0.999 6.770
92 HD23 LEU 11 3HD2 LEU 11 4.081 1.675 5.290
93 H PHE 12 H PHE 12 8.568 3.633 5.272
94 HA PHE 12 HA PHE 12 10.577 1.479 5.190
95 HB2 PHE 12 2HB PHE 12 9.942 3.043 2.725
96 HB3 PHE 12 3HB PHE 12 10.535 1.393 2.882
97 HD1 PHE 12 HD1 PHE 12 9.085 -0.337 2.461
98 HD2 PHE 12 HD2 PHE 12 7.513 3.431 3.665
99 HE1 PHE 12 HE1 PHE 12 6.800 -1.190 2.135
100 HE2 PHE 12 HE2 PHE 12 5.226 2.584 3.343
101 HZ PHE 12 HZ PHE 12 4.867 0.271 2.577
102 H GLY 13 H GLY 13 10.545 4.099 6.589
103 HA2 GLY 13 2HA GLY 13 12.695 5.505 5.154
104 HA3 GLY 13 3HA GLY 13 11.712 6.188 6.440
Start of MODEL 13
1 H1 VAL 1 H VAL 1 1.744 -0.303 1.127
2 HA VAL 1 HA VAL 1 1.157 -0.399 -1.761
3 HB VAL 1 HB VAL 1 3.271 1.254 -0.374
4 HG11 VAL 1 1HG1 VAL 1 3.745 2.106 -2.668
5 HG12 VAL 1 2HG1 VAL 1 4.187 0.415 -2.424
6 HG13 VAL 1 3HG1 VAL 1 2.715 0.825 -3.305
7 HG21 VAL 1 1HG2 VAL 1 1.965 3.075 -0.662
8 HG22 VAL 1 2HG2 VAL 1 1.281 2.481 -2.175
9 HG23 VAL 1 3HG2 VAL 1 0.667 1.881 -0.635
10 H ALA 2 H ALA 2 3.778 -0.817 0.619
11 HA ALA 2 HA ALA 2 4.756 -3.077 -1.004
12 HB1 ALA 2 1HB ALA 2 6.193 -0.808 0.219
13 HB2 ALA 2 2HB ALA 2 6.965 -2.388 0.357
14 HB3 ALA 2 3HB ALA 2 6.562 -1.740 -1.233
15 H ARG 3 H ARG 3 4.905 -1.748 2.307
16 HA ARG 3 HA ARG 3 4.637 -4.506 3.312
17 HB2 ARG 3 2HB ARG 3 6.287 -2.211 4.346
18 HB3 ARG 3 3HB ARG 3 5.846 -3.567 5.374
19 HG2 ARG 3 2HG ARG 3 7.241 -5.011 4.310
20 HG3 ARG 3 3HG ARG 3 7.095 -4.182 2.759
21 HD2 ARG 3 2HD ARG 3 8.416 -2.290 3.807
22 HD3 ARG 3 3HD ARG 3 8.749 -3.390 5.144
23 HE ARG 3 HE ARG 3 9.467 -4.752 2.864
24 HH11 ARG 3 1HH1 ARG 3 10.373 -1.767 4.411
25 HH12 ARG 3 2HH1 ARG 3 11.999 -1.800 3.815
26 HH21 ARG 3 1HH2 ARG 3 11.606 -4.806 2.073
27 HH22 ARG 3 2HH2 ARG 3 12.699 -3.528 2.485
28 H GLY 4 H GLY 4 4.460 -1.295 4.840
29 HA2 GLY 4 2HA GLY 4 1.763 -2.032 5.799
30 HA3 GLY 4 3HA GLY 4 2.913 -1.108 6.754
31 H TRP 5 H TRP 5 3.237 -0.092 3.637
32 HA TRP 5 HA TRP 5 2.335 2.482 4.052
33 HB2 TRP 5 2HB TRP 5 3.519 1.087 1.951
34 HB3 TRP 5 3HB TRP 5 2.008 1.687 1.274
35 HD1 TRP 5 HD1 TRP 5 5.070 2.745 0.612
36 HE1 TRP 5 HE1 TRP 5 5.493 5.279 0.777
37 HE3 TRP 5 HE3 TRP 5 1.113 4.036 3.579
38 HZ2 TRP 5 HZ2 TRP 5 4.306 7.527 2.004
39 HZ3 TRP 5 HZ3 TRP 5 0.828 6.399 4.204
40 HH2 TRP 5 HH2 TRP 5 2.394 8.107 3.432
41 H GLY 6 H GLY 6 0.307 2.583 4.994
42 HA2 GLY 6 2HA GLY 6 -1.957 1.437 3.536
43 HA3 GLY 6 3HA GLY 6 -2.006 2.121 5.154
44 H ARG 7 H ARG 7 -1.878 4.461 5.357
45 HA ARG 7 HA ARG 7 -2.984 5.812 2.983
46 HB2 ARG 7 2HB ARG 7 -3.784 5.804 5.816
47 HB3 ARG 7 3HB ARG 7 -3.727 7.399 5.077
48 HG2 ARG 7 2HG ARG 7 -5.038 5.697 3.252
49 HG3 ARG 7 3HG ARG 7 -5.725 5.383 4.847
50 HD2 ARG 7 2HD ARG 7 -6.968 7.144 3.753
51 HD3 ARG 7 3HD ARG 7 -6.094 7.801 5.136
52 HE ARG 7 HE ARG 7 -4.407 8.232 3.059
53 HH11 ARG 7 1HH1 ARG 7 -7.757 8.981 3.637
54 HH12 ARG 7 2HH1 ARG 7 -7.740 10.414 2.664
55 HH21 ARG 7 1HH2 ARG 7 -4.371 10.116 1.775
56 HH22 ARG 7 2HH2 ARG 7 -5.813 11.058 1.604
57 H LYS 8 H LYS 8 -1.764 7.100 6.051
58 HA LYS 8 HA LYS 8 0.334 8.520 4.549
59 HB2 LYS 8 2HB LYS 8 -0.047 10.390 6.277
60 HB3 LYS 8 3HB LYS 8 -1.209 10.229 4.966
61 HG2 LYS 8 2HG LYS 8 -2.573 10.528 6.794
62 HG3 LYS 8 3HG LYS 8 -2.530 8.769 6.652
63 HD2 LYS 8 2HD LYS 8 -2.238 9.366 8.963
64 HD3 LYS 8 3HD LYS 8 -0.710 8.733 8.345
65 HE2 LYS 8 2HE LYS 8 0.348 10.717 8.560
66 HE3 LYS 8 3HE LYS 8 -1.078 11.647 8.104
67 HZ1 LYS 8 1HZ LYS 8 -1.985 11.187 10.333
68 HZ2 LYS 8 2HZ LYS 8 -0.550 12.079 10.384
69 HZ3 LYS 8 3HZ LYS 8 -0.533 10.429 10.756
70 H CYS 9 H CYS 9 0.504 6.048 6.053
71 HA CYS 9 HA CYS 9 2.332 6.918 8.194
72 HB2 CYS 9 2HB CYS 9 0.231 4.832 8.156
73 HB3 CYS 9 3HB CYS 9 1.744 4.386 8.936
74 HG CYS 9 HG CYS 9 -0.731 6.079 10.169
75 HA PRO 10 HA PRO 10 4.764 4.650 4.967
76 HB2 PRO 10 2HB PRO 10 6.860 6.375 5.010
77 HB3 PRO 10 3HB PRO 10 5.431 6.624 3.999
78 HG2 PRO 10 2HG PRO 10 6.115 7.843 6.647
79 HG3 PRO 10 3HG PRO 10 5.426 8.613 5.205
80 HD2 PRO 10 2HD PRO 10 3.915 7.888 7.332
81 HD3 PRO 10 3HD PRO 10 3.296 7.864 5.668
82 H LEU 11 H LEU 11 6.069 3.029 5.545
83 HA LEU 11 HA LEU 11 7.618 3.300 8.037
84 HB2 LEU 11 2HB LEU 11 7.387 0.751 8.113
85 HB3 LEU 11 3HB LEU 11 5.995 1.731 8.568
86 HG LEU 11 HG LEU 11 6.243 0.671 5.779
87 HD11 LEU 11 1HD1 LEU 11 6.405 -1.049 7.868
88 HD12 LEU 11 2HD1 LEU 11 5.682 -1.435 6.306
89 HD13 LEU 11 3HD1 LEU 11 4.658 -0.936 7.652
90 HD21 LEU 11 1HD2 LEU 11 3.651 0.694 7.083
91 HD22 LEU 11 2HD2 LEU 11 4.158 1.426 5.560
92 HD23 LEU 11 3HD2 LEU 11 4.415 2.284 7.081
93 H PHE 12 H PHE 12 8.390 3.866 5.242
94 HA PHE 12 HA PHE 12 10.616 1.947 5.038
95 HB2 PHE 12 2HB PHE 12 9.654 3.404 2.615
96 HB3 PHE 12 3HB PHE 12 10.437 1.832 2.738
97 HD1 PHE 12 HD1 PHE 12 7.263 3.530 3.709
98 HD2 PHE 12 HD2 PHE 12 9.164 -0.053 2.420
99 HE1 PHE 12 HE1 PHE 12 5.068 2.431 3.539
100 HE2 PHE 12 HE2 PHE 12 6.973 -1.158 2.247
101 HZ PHE 12 HZ PHE 12 4.921 0.085 2.806
102 H GLY 13 H GLY 13 10.386 4.559 6.429
103 HA2 GLY 13 2HA GLY 13 11.964 6.407 4.863
104 HA3 GLY 13 3HA GLY 13 11.441 6.627 6.526
Start of MODEL 14
1 H1 VAL 1 H VAL 1 1.811 -0.015 0.875
2 HA VAL 1 HA VAL 1 1.292 -0.022 -2.027
3 HB VAL 1 HB VAL 1 3.449 1.496 -0.554
4 HG11 VAL 1 1HG1 VAL 1 4.023 2.371 -2.815
5 HG12 VAL 1 2HG1 VAL 1 4.372 0.655 -2.599
6 HG13 VAL 1 3HG1 VAL 1 2.945 1.158 -3.506
7 HG21 VAL 1 1HG2 VAL 1 1.565 2.854 -2.374
8 HG22 VAL 1 2HG2 VAL 1 0.886 2.256 -0.860
9 HG23 VAL 1 3HG2 VAL 1 2.240 3.387 -0.835
10 H ALA 2 H ALA 2 3.829 -0.618 0.406
11 HA ALA 2 HA ALA 2 4.735 -2.888 -1.243
12 HB1 ALA 2 1HB ALA 2 6.250 -0.719 0.062
13 HB2 ALA 2 2HB ALA 2 6.940 -2.337 0.187
14 HB3 ALA 2 3HB ALA 2 6.611 -1.640 -1.398
15 H ARG 3 H ARG 3 4.866 -1.639 2.099
16 HA ARG 3 HA ARG 3 4.438 -4.401 3.035
17 HB2 ARG 3 2HB ARG 3 6.235 -2.235 4.069
18 HB3 ARG 3 3HB ARG 3 5.615 -3.459 5.169
19 HG2 ARG 3 2HG ARG 3 7.038 -5.002 4.423
20 HG3 ARG 3 3HG ARG 3 6.733 -4.590 2.734
21 HD2 ARG 3 2HD ARG 3 8.559 -3.302 2.607
22 HD3 ARG 3 3HD ARG 3 8.235 -2.542 4.165
23 HE ARG 3 HE ARG 3 9.183 -5.207 4.476
24 HH11 ARG 3 1HH1 ARG 3 10.202 -1.948 3.796
25 HH12 ARG 3 2HH1 ARG 3 11.805 -2.183 4.409
26 HH21 ARG 3 1HH2 ARG 3 11.291 -5.529 5.286
27 HH22 ARG 3 2HH2 ARG 3 12.424 -4.220 5.255
28 H GLY 4 H GLY 4 4.381 -1.218 4.630
29 HA2 GLY 4 2HA GLY 4 1.628 -1.841 5.507
30 HA3 GLY 4 3HA GLY 4 2.797 -0.994 6.510
31 H TRP 5 H TRP 5 3.249 0.069 3.424
32 HA TRP 5 HA TRP 5 2.463 2.675 3.874
33 HB2 TRP 5 2HB TRP 5 3.629 1.267 1.772
34 HB3 TRP 5 3HB TRP 5 2.167 1.956 1.072
35 HD1 TRP 5 HD1 TRP 5 5.293 2.874 0.507
36 HE1 TRP 5 HE1 TRP 5 5.836 5.379 0.739
37 HE3 TRP 5 HE3 TRP 5 1.332 4.298 3.408
38 HZ2 TRP 5 HZ2 TRP 5 4.732 7.657 1.987
39 HZ3 TRP 5 HZ3 TRP 5 1.149 6.659 4.078
40 HH2 TRP 5 HH2 TRP 5 2.816 8.302 3.382
41 H GLY 6 H GLY 6 0.420 2.858 4.770
42 HA2 GLY 6 2HA GLY 6 -1.861 1.855 3.233
43 HA3 GLY 6 3HA GLY 6 -1.916 2.507 4.864
44 H ARG 7 H ARG 7 -1.673 4.835 5.120
45 HA ARG 7 HA ARG 7 -2.653 6.288 2.751
46 HB2 ARG 7 2HB ARG 7 -3.353 6.507 5.659
47 HB3 ARG 7 3HB ARG 7 -3.549 7.897 4.600
48 HG2 ARG 7 2HG ARG 7 -4.781 5.957 3.156
49 HG3 ARG 7 3HG ARG 7 -5.133 5.443 4.807
50 HD2 ARG 7 2HD ARG 7 -5.776 7.931 5.169
51 HD3 ARG 7 3HD ARG 7 -5.884 7.980 3.410
52 HE ARG 7 HE ARG 7 -7.367 5.801 4.149
53 HH11 ARG 7 1HH1 ARG 7 -7.398 9.200 4.898
54 HH12 ARG 7 2HH1 ARG 7 -9.110 9.260 5.161
55 HH21 ARG 7 1HH2 ARG 7 -9.621 5.866 4.492
56 HH22 ARG 7 2HH2 ARG 7 -10.373 7.363 4.931
57 H LYS 8 H LYS 8 -1.451 7.448 5.877
58 HA LYS 8 HA LYS 8 0.751 8.795 4.460
59 HB2 LYS 8 2HB LYS 8 0.417 10.641 6.224
60 HB3 LYS 8 3HB LYS 8 -0.712 10.571 4.878
61 HG2 LYS 8 2HG LYS 8 -2.111 10.896 6.676
62 HG3 LYS 8 3HG LYS 8 -2.156 9.142 6.487
63 HD2 LYS 8 2HD LYS 8 -1.899 9.650 8.819
64 HD3 LYS 8 3HD LYS 8 -0.381 8.973 8.226
65 HE2 LYS 8 2HE LYS 8 -0.107 10.953 9.715
66 HE3 LYS 8 3HE LYS 8 0.622 11.141 8.122
67 HZ1 LYS 8 1HZ LYS 8 -2.117 12.106 8.587
68 HZ2 LYS 8 2HZ LYS 8 -0.965 12.650 7.474
69 HZ3 LYS 8 3HZ LYS 8 -0.807 13.038 9.113
70 H CYS 9 H CYS 9 0.760 6.285 5.911
71 HA CYS 9 HA CYS 9 2.575 7.017 8.115
72 HB2 CYS 9 2HB CYS 9 0.714 4.641 7.915
73 HB3 CYS 9 3HB CYS 9 1.927 4.847 9.172
74 HG CYS 9 HG CYS 9 -1.033 5.581 9.572
75 HA PRO 10 HA PRO 10 4.973 4.701 4.896
76 HB2 PRO 10 2HB PRO 10 7.149 6.319 5.028
77 HB3 PRO 10 3HB PRO 10 5.760 6.660 3.990
78 HG2 PRO 10 2HG PRO 10 6.436 7.786 6.680
79 HG3 PRO 10 3HG PRO 10 5.823 8.620 5.240
80 HD2 PRO 10 2HD PRO 10 4.224 7.926 7.312
81 HD3 PRO 10 3HD PRO 10 3.647 7.967 5.634
82 H LEU 11 H LEU 11 6.181 3.005 5.469
83 HA LEU 11 HA LEU 11 7.680 3.146 8.003
84 HB2 LEU 11 2HB LEU 11 7.322 0.610 8.016
85 HB3 LEU 11 3HB LEU 11 5.968 1.648 8.459
86 HG LEU 11 HG LEU 11 6.233 0.638 5.653
87 HD11 LEU 11 1HD1 LEU 11 5.560 -1.449 6.120
88 HD12 LEU 11 2HD1 LEU 11 4.526 -0.931 7.450
89 HD13 LEU 11 3HD1 LEU 11 6.259 -1.132 7.708
90 HD21 LEU 11 1HD2 LEU 11 4.193 1.498 5.404
91 HD22 LEU 11 2HD2 LEU 11 4.455 2.311 6.948
92 HD23 LEU 11 3HD2 LEU 11 3.614 0.761 6.898
93 H PHE 12 H PHE 12 8.548 3.732 5.240
94 HA PHE 12 HA PHE 12 10.681 1.709 5.046
95 HB2 PHE 12 2HB PHE 12 9.854 3.263 2.634
96 HB3 PHE 12 3HB PHE 12 10.554 1.652 2.741
97 HD1 PHE 12 HD1 PHE 12 9.199 -0.160 2.349
98 HD2 PHE 12 HD2 PHE 12 7.444 3.485 3.673
99 HE1 PHE 12 HE1 PHE 12 6.960 -1.150 2.098
100 HE2 PHE 12 HE2 PHE 12 5.203 2.500 3.425
101 HZ PHE 12 HZ PHE 12 4.959 0.180 2.638
102 H GLY 13 H GLY 13 10.534 4.310 6.482
103 HA2 GLY 13 2HA GLY 13 12.491 5.904 4.980
104 HA3 GLY 13 3HA GLY 13 11.578 6.449 6.380
Start of MODEL 15
1 H1 VAL 1 H VAL 1 1.691 -0.384 1.288
2 HA VAL 1 HA VAL 1 1.047 -0.581 -1.583
3 HB VAL 1 HB VAL 1 3.196 1.107 -0.294
4 HG11 VAL 1 1HG1 VAL 1 4.069 0.195 -2.329
5 HG12 VAL 1 2HG1 VAL 1 2.582 0.580 -3.198
6 HG13 VAL 1 3HG1 VAL 1 3.631 1.877 -2.624
7 HG21 VAL 1 1HG2 VAL 1 0.592 1.739 -0.524
8 HG22 VAL 1 2HG2 VAL 1 1.893 2.926 -0.620
9 HG23 VAL 1 3HG2 VAL 1 1.177 2.281 -2.097
10 H ALA 2 H ALA 2 3.712 -0.932 0.759
11 HA ALA 2 HA ALA 2 4.646 -3.251 -0.805
12 HB1 ALA 2 1HB ALA 2 6.888 -2.541 0.474
13 HB2 ALA 2 2HB ALA 2 6.446 -1.916 -1.115
14 HB3 ALA 2 3HB ALA 2 6.124 -0.958 0.331
15 H ARG 3 H ARG 3 4.864 -1.813 2.456
16 HA ARG 3 HA ARG 3 4.603 -4.534 3.558
17 HB2 ARG 3 2HB ARG 3 6.318 -2.226 4.429
18 HB3 ARG 3 3HB ARG 3 5.838 -3.470 5.576
19 HG2 ARG 3 2HG ARG 3 7.249 -4.990 4.720
20 HG3 ARG 3 3HG ARG 3 6.964 -4.472 3.057
21 HD2 ARG 3 2HD ARG 3 8.282 -2.323 3.989
22 HD3 ARG 3 3HD ARG 3 8.989 -3.574 5.011
23 HE ARG 3 HE ARG 3 9.011 -4.440 2.338
24 HH11 ARG 3 1HH1 ARG 3 10.537 -2.108 4.423
25 HH12 ARG 3 2HH1 ARG 3 12.013 -2.069 3.516
26 HH21 ARG 3 1HH2 ARG 3 10.949 -4.398 1.136
27 HH22 ARG 3 2HH2 ARG 3 12.246 -3.372 1.646
28 H GLY 4 H GLY 4 4.466 -1.270 4.975
29 HA2 GLY 4 2HA GLY 4 1.784 -1.961 6.008
30 HA3 GLY 4 3HA GLY 4 2.956 -1.014 6.913
31 H TRP 5 H TRP 5 3.230 -0.102 3.758
32 HA TRP 5 HA TRP 5 2.350 2.490 4.106
33 HB2 TRP 5 2HB TRP 5 3.494 1.026 2.034
34 HB3 TRP 5 3HB TRP 5 1.971 1.602 1.361
35 HD1 TRP 5 HD1 TRP 5 5.021 2.637 0.611
36 HE1 TRP 5 HE1 TRP 5 5.445 5.174 0.680
37 HE3 TRP 5 HE3 TRP 5 1.114 4.031 3.599
38 HZ2 TRP 5 HZ2 TRP 5 4.278 7.464 1.848
39 HZ3 TRP 5 HZ3 TRP 5 0.839 6.414 4.145
40 HH2 TRP 5 HH2 TRP 5 2.390 8.094 3.287
41 H GLY 6 H GLY 6 0.339 2.621 5.088
42 HA2 GLY 6 2HA GLY 6 -1.957 1.439 3.716
43 HA3 GLY 6 3HA GLY 6 -1.972 2.197 5.302
44 H ARG 7 H ARG 7 -1.851 4.537 5.401
45 HA ARG 7 HA ARG 7 -2.968 5.791 2.979
46 HB2 ARG 7 2HB ARG 7 -4.674 5.800 4.617
47 HB3 ARG 7 3HB ARG 7 -3.554 6.252 5.896
48 HG2 ARG 7 2HG ARG 7 -3.823 8.425 5.503
49 HG3 ARG 7 3HG ARG 7 -3.651 8.215 3.759
50 HD2 ARG 7 2HD ARG 7 -6.064 7.177 3.997
51 HD3 ARG 7 3HD ARG 7 -6.099 8.173 5.452
52 HE ARG 7 HE ARG 7 -6.330 10.011 4.123
53 HH11 ARG 7 1HH1 ARG 7 -5.051 7.403 2.204
54 HH12 ARG 7 2HH1 ARG 7 -5.143 8.281 0.713
55 HH21 ARG 7 1HH2 ARG 7 -6.456 11.178 2.167
56 HH22 ARG 7 2HH2 ARG 7 -5.942 10.428 0.693
57 H LYS 8 H LYS 8 -1.718 7.171 5.998
58 HA LYS 8 HA LYS 8 0.357 8.554 4.432
59 HB2 LYS 8 2HB LYS 8 0.011 10.504 6.010
60 HB3 LYS 8 3HB LYS 8 -1.277 10.224 4.846
61 HG2 LYS 8 2HG LYS 8 -2.469 10.603 6.765
62 HG3 LYS 8 3HG LYS 8 -2.346 8.842 6.779
63 HD2 LYS 8 2HD LYS 8 -0.932 8.820 8.559
64 HD3 LYS 8 3HD LYS 8 -0.170 10.347 8.110
65 HE2 LYS 8 2HE LYS 8 -1.637 11.577 9.304
66 HE3 LYS 8 3HE LYS 8 -2.999 10.533 8.900
67 HZ1 LYS 8 1HZ LYS 8 -2.311 8.973 10.556
68 HZ2 LYS 8 2HZ LYS 8 -2.395 10.501 11.278
69 HZ3 LYS 8 3HZ LYS 8 -0.892 9.838 10.873
70 H CYS 9 H CYS 9 0.538 6.124 6.011
71 HA CYS 9 HA CYS 9 2.400 7.054 8.097
72 HB2 CYS 9 2HB CYS 9 0.478 4.740 8.096
73 HB3 CYS 9 3HB CYS 9 1.891 4.745 9.145
74 HG CYS 9 HG CYS 9 0.663 5.943 11.043
75 HA PRO 10 HA PRO 10 4.775 4.675 4.906
76 HB2 PRO 10 2HB PRO 10 6.873 6.398 4.854
77 HB3 PRO 10 3HB PRO 10 5.428 6.614 3.860
78 HG2 PRO 10 2HG PRO 10 6.156 7.922 6.452
79 HG3 PRO 10 3HG PRO 10 5.445 8.643 4.996
80 HD2 PRO 10 2HD PRO 10 3.968 7.994 7.171
81 HD3 PRO 10 3HD PRO 10 3.322 7.913 5.520
82 H LEU 11 H LEU 11 6.094 3.076 5.515
83 HA LEU 11 HA LEU 11 7.681 3.429 7.972
84 HB2 LEU 11 2HB LEU 11 7.454 0.882 8.131
85 HB3 LEU 11 3HB LEU 11 6.072 1.877 8.584
86 HG LEU 11 HG LEU 11 6.263 0.731 5.824
87 HD11 LEU 11 1HD1 LEU 11 4.712 -0.811 7.780
88 HD12 LEU 11 2HD1 LEU 11 6.462 -0.923 7.962
89 HD13 LEU 11 3HD1 LEU 11 5.707 -1.356 6.429
90 HD21 LEU 11 1HD2 LEU 11 3.696 0.800 7.173
91 HD22 LEU 11 2HD2 LEU 11 4.178 1.489 5.623
92 HD23 LEU 11 3HD2 LEU 11 4.463 2.387 7.114
93 H PHE 12 H PHE 12 8.408 3.901 5.147
94 HA PHE 12 HA PHE 12 10.633 1.977 4.973
95 HB2 PHE 12 2HB PHE 12 9.631 3.352 2.517
96 HB3 PHE 12 3HB PHE 12 10.417 1.786 2.681
97 HD1 PHE 12 HD1 PHE 12 7.257 3.514 3.644
98 HD2 PHE 12 HD2 PHE 12 9.142 -0.110 2.447
99 HE1 PHE 12 HE1 PHE 12 5.061 2.408 3.546
100 HE2 PHE 12 HE2 PHE 12 6.949 -1.221 2.346
101 HZ PHE 12 HZ PHE 12 4.905 0.038 2.895
102 H GLY 13 H GLY 13 10.423 4.635 6.279
103 HA2 GLY 13 2HA GLY 13 12.216 6.250 4.608
104 HA3 GLY 13 3HA GLY 13 11.353 6.811 6.032
Start of MODEL 16
1 H1 VAL 1 H VAL 1 1.826 -0.324 1.096
2 HA VAL 1 HA VAL 1 1.187 -0.476 -1.778
3 HB VAL 1 HB VAL 1 3.323 1.206 -0.461
4 HG11 VAL 1 1HG1 VAL 1 2.715 0.721 -3.373
5 HG12 VAL 1 2HG1 VAL 1 3.759 2.013 -2.777
6 HG13 VAL 1 3HG1 VAL 1 4.202 0.327 -2.510
7 HG21 VAL 1 1HG2 VAL 1 0.715 1.824 -0.685
8 HG22 VAL 1 2HG2 VAL 1 2.008 3.021 -0.761
9 HG23 VAL 1 3HG2 VAL 1 1.298 2.394 -2.249
10 H ALA 2 H ALA 2 3.851 -0.846 0.562
11 HA ALA 2 HA ALA 2 4.803 -3.134 -1.036
12 HB1 ALA 2 1HB ALA 2 6.596 -1.788 -1.323
13 HB2 ALA 2 2HB ALA 2 6.263 -0.847 0.132
14 HB3 ALA 2 3HB ALA 2 7.037 -2.426 0.261
15 H ARG 3 H ARG 3 5.007 -1.745 2.247
16 HA ARG 3 HA ARG 3 4.762 -4.485 3.306
17 HB2 ARG 3 2HB ARG 3 6.505 -2.202 4.148
18 HB3 ARG 3 3HB ARG 3 5.966 -3.363 5.353
19 HG2 ARG 3 2HG ARG 3 7.782 -4.521 4.787
20 HG3 ARG 3 3HG ARG 3 6.870 -4.988 3.350
21 HD2 ARG 3 2HD ARG 3 8.034 -3.584 1.986
22 HD3 ARG 3 3HD ARG 3 8.319 -2.404 3.265
23 HE ARG 3 HE ARG 3 10.029 -4.561 2.508
24 HH11 ARG 3 1HH1 ARG 3 9.013 -2.585 5.189
25 HH12 ARG 3 2HH1 ARG 3 10.487 -2.799 6.074
26 HH21 ARG 3 1HH2 ARG 3 11.974 -4.850 3.664
27 HH22 ARG 3 2HH2 ARG 3 12.171 -4.087 5.205
28 H GLY 4 H GLY 4 4.603 -1.245 4.774
29 HA2 GLY 4 2HA GLY 4 1.923 -1.969 5.792
30 HA3 GLY 4 3HA GLY 4 3.087 -1.028 6.713
31 H TRP 5 H TRP 5 3.358 -0.067 3.572
32 HA TRP 5 HA TRP 5 2.462 2.514 3.959
33 HB2 TRP 5 2HB TRP 5 3.617 1.089 1.865
34 HB3 TRP 5 3HB TRP 5 2.091 1.666 1.201
35 HD1 TRP 5 HD1 TRP 5 5.135 2.730 0.469
36 HE1 TRP 5 HE1 TRP 5 5.544 5.269 0.577
37 HE3 TRP 5 HE3 TRP 5 1.216 4.055 3.473
38 HZ2 TRP 5 HZ2 TRP 5 4.362 7.533 1.777
39 HZ3 TRP 5 HZ3 TRP 5 0.926 6.428 4.054
40 HH2 TRP 5 HH2 TRP 5 2.468 8.130 3.224
41 H GLY 6 H GLY 6 0.450 2.618 4.941
42 HA2 GLY 6 2HA GLY 6 -1.838 1.443 3.550
43 HA3 GLY 6 3HA GLY 6 -1.859 2.176 5.146
44 H ARG 7 H ARG 7 -1.756 4.514 5.284
45 HA ARG 7 HA ARG 7 -2.879 5.798 2.880
46 HB2 ARG 7 2HB ARG 7 -4.585 5.776 4.517
47 HB3 ARG 7 3HB ARG 7 -3.467 6.210 5.804
48 HG2 ARG 7 2HG ARG 7 -3.733 8.390 5.442
49 HG3 ARG 7 3HG ARG 7 -3.582 8.206 3.693
50 HD2 ARG 7 2HD ARG 7 -5.973 7.215 3.845
51 HD3 ARG 7 3HD ARG 7 -6.023 8.016 5.415
52 HE ARG 7 HE ARG 7 -5.183 9.950 3.677
53 HH11 ARG 7 1HH1 ARG 7 -7.940 7.834 3.877
54 HH12 ARG 7 2HH1 ARG 7 -9.013 8.943 3.088
55 HH21 ARG 7 1HH2 ARG 7 -6.585 11.418 2.636
56 HH22 ARG 7 2HH2 ARG 7 -8.240 10.981 2.382
57 H LYS 8 H LYS 8 -1.636 7.142 5.919
58 HA LYS 8 HA LYS 8 0.431 8.559 4.373
59 HB2 LYS 8 2HB LYS 8 0.074 10.485 5.975
60 HB3 LYS 8 3HB LYS 8 -1.214 10.212 4.810
61 HG2 LYS 8 2HG LYS 8 -2.412 10.552 6.730
62 HG3 LYS 8 3HG LYS 8 -2.263 8.793 6.734
63 HD2 LYS 8 2HD LYS 8 -0.582 8.833 8.377
64 HD3 LYS 8 3HD LYS 8 -0.283 10.557 8.147
65 HE2 LYS 8 2HE LYS 8 -2.091 11.176 9.396
66 HE3 LYS 8 3HE LYS 8 -3.004 9.722 8.994
67 HZ1 LYS 8 1HZ LYS 8 -1.393 10.238 11.261
68 HZ2 LYS 8 2HZ LYS 8 -0.801 8.884 10.440
69 HZ3 LYS 8 3HZ LYS 8 -2.411 8.921 10.957
70 H CYS 9 H CYS 9 0.628 6.108 5.915
71 HA CYS 9 HA CYS 9 2.482 7.019 8.016
72 HB2 CYS 9 2HB CYS 9 0.447 4.841 8.013
73 HB3 CYS 9 3HB CYS 9 1.948 4.560 8.887
74 HG CYS 9 HG CYS 9 0.118 5.357 10.777
75 HA PRO 10 HA PRO 10 4.875 4.704 4.793
76 HB2 PRO 10 2HB PRO 10 6.962 6.440 4.769
77 HB3 PRO 10 3HB PRO 10 5.516 6.662 3.776
78 HG2 PRO 10 2HG PRO 10 6.235 7.935 6.389
79 HG3 PRO 10 3HG PRO 10 5.520 8.673 4.943
80 HD2 PRO 10 2HD PRO 10 4.046 7.983 7.107
81 HD3 PRO 10 3HD PRO 10 3.401 7.922 5.454
82 H LEU 11 H LEU 11 6.201 3.102 5.379
83 HA LEU 11 HA LEU 11 7.786 3.429 7.843
84 HB2 LEU 11 2HB LEU 11 7.573 0.879 7.965
85 HB3 LEU 11 3HB LEU 11 6.183 1.859 8.429
86 HG LEU 11 HG LEU 11 6.388 0.753 5.654
87 HD11 LEU 11 1HD1 LEU 11 6.594 -0.930 7.768
88 HD12 LEU 11 2HD1 LEU 11 5.843 -1.346 6.227
89 HD13 LEU 11 3HD1 LEU 11 4.843 -0.827 7.584
90 HD21 LEU 11 1HD2 LEU 11 4.299 1.501 5.459
91 HD22 LEU 11 2HD2 LEU 11 4.575 2.380 6.963
92 HD23 LEU 11 3HD2 LEU 11 3.817 0.787 6.999
93 H PHE 12 H PHE 12 8.513 3.948 5.027
94 HA PHE 12 HA PHE 12 10.748 2.040 4.825
95 HB2 PHE 12 2HB PHE 12 9.740 3.445 2.389
96 HB3 PHE 12 3HB PHE 12 10.535 1.881 2.531
97 HD1 PHE 12 HD1 PHE 12 9.271 -0.018 2.265
98 HD2 PHE 12 HD2 PHE 12 7.364 3.576 3.517
99 HE1 PHE 12 HE1 PHE 12 7.085 -1.140 2.145
100 HE2 PHE 12 HE2 PHE 12 5.175 2.459 3.400
101 HZ PHE 12 HZ PHE 12 5.033 0.098 2.714
102 H GLY 13 H GLY 13 10.512 4.683 6.164
103 HA2 GLY 13 2HA GLY 13 12.434 6.231 4.548
104 HA3 GLY 13 3HA GLY 13 11.393 6.907 5.793
Start of MODEL 17
1 H1 VAL 1 H VAL 1 1.892 0.231 0.714
2 HA VAL 1 HA VAL 1 1.689 0.088 -2.224
3 HB VAL 1 HB VAL 1 3.748 1.592 -0.604
4 HG11 VAL 1 1HG1 VAL 1 4.607 2.307 -2.830
5 HG12 VAL 1 2HG1 VAL 1 4.841 0.591 -2.490
6 HG13 VAL 1 3HG1 VAL 1 3.548 1.109 -3.573
7 HG21 VAL 1 1HG2 VAL 1 2.140 2.922 -2.690
8 HG22 VAL 1 2HG2 VAL 1 1.276 2.447 -1.228
9 HG23 VAL 1 3HG2 VAL 1 2.674 3.515 -1.118
10 H ALA 2 H ALA 2 3.918 -0.475 0.502
11 HA ALA 2 HA ALA 2 4.881 -2.876 -0.914
12 HB1 ALA 2 1HB ALA 2 6.827 -1.738 -0.926
13 HB2 ALA 2 2HB ALA 2 6.353 -0.698 0.419
14 HB3 ALA 2 3HB ALA 2 6.939 -2.332 0.731
15 H ARG 3 H ARG 3 4.717 -1.442 2.352
16 HA ARG 3 HA ARG 3 4.051 -4.123 3.380
17 HB2 ARG 3 2HB ARG 3 5.815 -1.973 4.512
18 HB3 ARG 3 3HB ARG 3 5.045 -3.144 5.575
19 HG2 ARG 3 2HG ARG 3 6.735 -4.517 5.192
20 HG3 ARG 3 3HG ARG 3 6.202 -4.641 3.514
21 HD2 ARG 3 2HD ARG 3 7.725 -3.070 2.777
22 HD3 ARG 3 3HD ARG 3 7.872 -2.317 4.364
23 HE ARG 3 HE ARG 3 9.574 -3.761 4.831
24 HH11 ARG 3 1HH1 ARG 3 7.702 -5.059 2.199
25 HH12 ARG 3 2HH1 ARG 3 8.780 -6.385 1.914
26 HH21 ARG 3 1HH2 ARG 3 11.002 -5.502 4.466
27 HH22 ARG 3 2HH2 ARG 3 10.657 -6.636 3.205
28 H GLY 4 H GLY 4 3.987 -0.856 4.794
29 HA2 GLY 4 2HA GLY 4 1.127 -1.302 5.395
30 HA3 GLY 4 3HA GLY 4 2.224 -0.450 6.472
31 H TRP 5 H TRP 5 3.051 0.406 3.399
32 HA TRP 5 HA TRP 5 2.358 3.067 3.619
33 HB2 TRP 5 2HB TRP 5 3.656 1.479 1.728
34 HB3 TRP 5 3HB TRP 5 2.315 2.203 0.844
35 HD1 TRP 5 HD1 TRP 5 5.527 2.925 0.560
36 HE1 TRP 5 HE1 TRP 5 6.188 5.407 0.723
37 HE3 TRP 5 HE3 TRP 5 1.385 4.711 2.966
38 HZ2 TRP 5 HZ2 TRP 5 5.098 7.805 1.737
39 HZ3 TRP 5 HZ3 TRP 5 1.273 7.112 3.496
40 HH2 TRP 5 HH2 TRP 5 3.092 8.624 2.894
41 H GLY 6 H GLY 6 0.248 3.408 4.274
42 HA2 GLY 6 2HA GLY 6 -1.913 2.413 2.569
43 HA3 GLY 6 3HA GLY 6 -2.101 3.171 4.143
44 H ARG 7 H ARG 7 -1.666 5.510 4.267
45 HA ARG 7 HA ARG 7 -2.315 6.851 1.724
46 HB2 ARG 7 2HB ARG 7 -3.280 8.590 3.545
47 HB3 ARG 7 3HB ARG 7 -4.249 7.323 2.805
48 HG2 ARG 7 2HG ARG 7 -2.756 6.699 5.300
49 HG3 ARG 7 3HG ARG 7 -4.221 7.678 5.403
50 HD2 ARG 7 2HD ARG 7 -5.566 5.939 4.921
51 HD3 ARG 7 3HD ARG 7 -4.452 5.282 3.722
52 HE ARG 7 HE ARG 7 -3.619 3.890 5.327
53 HH11 ARG 7 1HH1 ARG 7 -5.328 6.496 6.879
54 HH12 ARG 7 2HH1 ARG 7 -5.189 5.816 8.467
55 HH21 ARG 7 1HH2 ARG 7 -3.429 2.984 7.412
56 HH22 ARG 7 2HH2 ARG 7 -4.108 3.818 8.769
57 H LYS 8 H LYS 8 -1.473 8.104 4.934
58 HA LYS 8 HA LYS 8 0.937 9.317 3.754
59 HB2 LYS 8 2HB LYS 8 0.496 11.255 5.349
60 HB3 LYS 8 3HB LYS 8 -0.559 11.131 3.947
61 HG2 LYS 8 2HG LYS 8 -1.997 11.625 5.709
62 HG3 LYS 8 3HG LYS 8 -2.166 9.881 5.492
63 HD2 LYS 8 2HD LYS 8 -0.886 9.409 7.400
64 HD3 LYS 8 3HD LYS 8 -0.221 11.043 7.465
65 HE2 LYS 8 2HE LYS 8 -1.789 11.420 9.017
66 HE3 LYS 8 3HE LYS 8 -2.910 11.503 7.660
67 HZ1 LYS 8 1HZ LYS 8 -2.740 8.847 8.164
68 HZ2 LYS 8 2HZ LYS 8 -3.979 9.866 8.700
69 HZ3 LYS 8 3HZ LYS 8 -2.675 9.514 9.718
70 H CYS 9 H CYS 9 0.646 6.859 5.285
71 HA CYS 9 HA CYS 9 2.234 7.596 7.656
72 HB2 CYS 9 2HB CYS 9 0.165 5.435 7.302
73 HB3 CYS 9 3HB CYS 9 1.368 5.361 8.585
74 HG CYS 9 HG CYS 9 -0.914 6.263 9.800
75 HA PRO 10 HA PRO 10 4.856 5.037 4.814
76 HB2 PRO 10 2HB PRO 10 7.077 6.570 5.111
77 HB3 PRO 10 3HB PRO 10 5.824 6.916 3.913
78 HG2 PRO 10 2HG PRO 10 6.259 8.144 6.608
79 HG3 PRO 10 3HG PRO 10 5.842 8.931 5.074
80 HD2 PRO 10 2HD PRO 10 4.001 8.404 6.989
81 HD3 PRO 10 3HD PRO 10 3.610 8.387 5.257
82 H LEU 11 H LEU 11 5.912 3.322 5.593
83 HA LEU 11 HA LEU 11 7.143 3.528 8.262
84 HB2 LEU 11 2HB LEU 11 6.659 1.017 8.362
85 HB3 LEU 11 3HB LEU 11 5.318 2.135 8.602
86 HG LEU 11 HG LEU 11 5.830 0.965 5.895
87 HD11 LEU 11 1HD1 LEU 11 3.867 -0.436 7.561
88 HD12 LEU 11 2HD1 LEU 11 5.547 -0.689 8.032
89 HD13 LEU 11 3HD1 LEU 11 5.026 -1.067 6.390
90 HD21 LEU 11 1HD2 LEU 11 3.103 1.267 6.851
91 HD22 LEU 11 2HD2 LEU 11 3.864 1.885 5.385
92 HD23 LEU 11 3HD2 LEU 11 4.010 2.779 6.899
93 H PHE 12 H PHE 12 8.314 3.922 5.574
94 HA PHE 12 HA PHE 12 10.358 1.804 5.710
95 HB2 PHE 12 2HB PHE 12 9.859 3.250 3.146
96 HB3 PHE 12 3HB PHE 12 10.460 1.617 3.412
97 HD1 PHE 12 HD1 PHE 12 7.371 3.643 3.915
98 HD2 PHE 12 HD2 PHE 12 9.058 -0.150 2.975
99 HE1 PHE 12 HE1 PHE 12 5.118 2.751 3.487
100 HE2 PHE 12 HE2 PHE 12 6.808 -1.048 2.544
101 HZ PHE 12 HZ PHE 12 4.835 0.403 2.800
102 H GLY 13 H GLY 13 10.193 4.483 6.987
103 HA2 GLY 13 2HA GLY 13 12.515 5.761 5.685
104 HA3 GLY 13 3HA GLY 13 11.334 6.615 6.667
Start of MODEL 18
1 H1 VAL 1 H VAL 1 1.750 0.183 0.701
2 HA VAL 1 HA VAL 1 1.303 0.208 -2.213
3 HB VAL 1 HB VAL 1 3.492 1.626 -0.686
4 HG11 VAL 1 1HG1 VAL 1 4.158 2.473 -2.934
5 HG12 VAL 1 2HG1 VAL 1 4.425 0.743 -2.710
6 HG13 VAL 1 3HG1 VAL 1 3.044 1.309 -3.650
7 HG21 VAL 1 1HG2 VAL 1 2.381 3.569 -0.995
8 HG22 VAL 1 2HG2 VAL 1 1.716 3.070 -2.551
9 HG23 VAL 1 3HG2 VAL 1 0.976 2.504 -1.053
10 H ALA 2 H ALA 2 3.752 -0.500 0.281
11 HA ALA 2 HA ALA 2 4.591 -2.813 -1.345
12 HB1 ALA 2 1HB ALA 2 6.779 -2.353 0.156
13 HB2 ALA 2 2HB ALA 2 6.533 -1.672 -1.453
14 HB3 ALA 2 3HB ALA 2 6.170 -0.707 -0.022
15 H ARG 3 H ARG 3 4.703 -1.568 2.000
16 HA ARG 3 HA ARG 3 4.123 -4.306 2.925
17 HB2 ARG 3 2HB ARG 3 5.958 -2.210 4.053
18 HB3 ARG 3 3HB ARG 3 5.303 -3.482 5.074
19 HG2 ARG 3 2HG ARG 3 6.588 -5.092 4.135
20 HG3 ARG 3 3HG ARG 3 6.577 -4.327 2.544
21 HD2 ARG 3 2HD ARG 3 8.594 -3.495 2.948
22 HD3 ARG 3 3HD ARG 3 7.933 -2.582 4.304
23 HE ARG 3 HE ARG 3 8.390 -5.187 5.178
24 HH11 ARG 3 1HH1 ARG 3 10.209 -2.439 4.056
25 HH12 ARG 3 2HH1 ARG 3 11.624 -2.835 4.975
26 HH21 ARG 3 1HH2 ARG 3 10.246 -5.720 6.393
27 HH22 ARG 3 2HH2 ARG 3 11.644 -4.702 6.303
28 H GLY 4 H GLY 4 4.181 -1.127 4.527
29 HA2 GLY 4 2HA GLY 4 1.381 -1.618 5.338
30 HA3 GLY 4 3HA GLY 4 2.566 -0.824 6.366
31 H TRP 5 H TRP 5 3.131 0.208 3.287
32 HA TRP 5 HA TRP 5 2.460 2.850 3.715
33 HB2 TRP 5 2HB TRP 5 3.592 1.376 1.635
34 HB3 TRP 5 3HB TRP 5 2.183 2.146 0.910
35 HD1 TRP 5 HD1 TRP 5 5.362 2.892 0.399
36 HE1 TRP 5 HE1 TRP 5 6.040 5.362 0.649
37 HE3 TRP 5 HE3 TRP 5 1.441 4.526 3.244
38 HZ2 TRP 5 HZ2 TRP 5 5.045 7.694 1.889
39 HZ3 TRP 5 HZ3 TRP 5 1.380 6.891 3.920
40 HH2 TRP 5 HH2 TRP 5 3.145 8.441 3.256
41 H GLY 6 H GLY 6 0.414 3.148 4.562
42 HA2 GLY 6 2HA GLY 6 -1.883 2.245 2.985
43 HA3 GLY 6 3HA GLY 6 -1.940 2.901 4.614
44 H ARG 7 H ARG 7 -1.496 5.229 4.851
45 HA ARG 7 HA ARG 7 -2.364 6.724 2.463
46 HB2 ARG 7 2HB ARG 7 -3.121 8.332 4.522
47 HB3 ARG 7 3HB ARG 7 -4.180 7.180 3.720
48 HG2 ARG 7 2HG ARG 7 -3.911 5.586 5.435
49 HG3 ARG 7 3HG ARG 7 -2.548 6.461 6.135
50 HD2 ARG 7 2HD ARG 7 -3.907 7.691 7.392
51 HD3 ARG 7 3HD ARG 7 -4.857 8.165 5.985
52 HE ARG 7 HE ARG 7 -5.495 6.115 7.901
53 HH11 ARG 7 1HH1 ARG 7 -6.018 7.287 4.665
54 HH12 ARG 7 2HH1 ARG 7 -7.549 6.496 4.486
55 HH21 ARG 7 1HH2 ARG 7 -7.510 5.070 7.678
56 HH22 ARG 7 2HH2 ARG 7 -8.397 5.236 6.201
57 H LYS 8 H LYS 8 -1.237 7.795 5.650
58 HA LYS 8 HA LYS 8 1.067 9.072 4.333
59 HB2 LYS 8 2HB LYS 8 0.801 11.017 5.769
60 HB3 LYS 8 3HB LYS 8 -0.670 10.745 4.844
61 HG2 LYS 8 2HG LYS 8 -0.412 9.644 7.609
62 HG3 LYS 8 3HG LYS 8 -0.828 11.340 7.356
63 HD2 LYS 8 2HD LYS 8 -2.571 10.246 5.666
64 HD3 LYS 8 3HD LYS 8 -2.394 8.886 6.777
65 HE2 LYS 8 2HE LYS 8 -4.072 9.981 7.846
66 HE3 LYS 8 3HE LYS 8 -2.706 10.828 8.570
67 HZ1 LYS 8 1HZ LYS 8 -4.273 12.442 7.860
68 HZ2 LYS 8 2HZ LYS 8 -4.403 11.754 6.321
69 HZ3 LYS 8 3HZ LYS 8 -2.969 12.521 6.786
70 H CYS 9 H CYS 9 0.913 6.534 5.737
71 HA CYS 9 HA CYS 9 2.696 7.142 8.003
72 HB2 CYS 9 2HB CYS 9 0.616 4.981 7.706
73 HB3 CYS 9 3HB CYS 9 1.913 4.869 8.890
74 HG CYS 9 HG CYS 9 -0.422 7.370 8.783
75 HA PRO 10 HA PRO 10 5.065 4.760 4.807
76 HB2 PRO 10 2HB PRO 10 7.305 6.280 5.005
77 HB3 PRO 10 3HB PRO 10 5.957 6.691 3.939
78 HG2 PRO 10 2HG PRO 10 6.619 7.761 6.656
79 HG3 PRO 10 3HG PRO 10 6.076 8.635 5.211
80 HD2 PRO 10 2HD PRO 10 4.402 7.991 7.240
81 HD3 PRO 10 3HD PRO 10 3.866 8.074 5.550
82 H LEU 11 H LEU 11 6.176 3.004 5.395
83 HA LEU 11 HA LEU 11 7.630 3.059 7.957
84 HB2 LEU 11 2HB LEU 11 7.149 0.546 7.955
85 HB3 LEU 11 3HB LEU 11 5.835 1.645 8.368
86 HG LEU 11 HG LEU 11 6.119 0.631 5.566
87 HD11 LEU 11 1HD1 LEU 11 6.012 -1.142 7.622
88 HD12 LEU 11 2HD1 LEU 11 5.357 -1.429 6.010
89 HD13 LEU 11 3HD1 LEU 11 4.298 -0.869 7.305
90 HD21 LEU 11 1HD2 LEU 11 3.482 0.870 6.763
91 HD22 LEU 11 2HD2 LEU 11 4.118 1.569 5.274
92 HD23 LEU 11 3HD2 LEU 11 4.391 2.380 6.817
93 H PHE 12 H PHE 12 8.570 3.610 5.206
94 HA PHE 12 HA PHE 12 10.612 1.493 5.046
95 HB2 PHE 12 2HB PHE 12 9.900 3.081 2.620
96 HB3 PHE 12 3HB PHE 12 10.517 1.436 2.741
97 HD1 PHE 12 HD1 PHE 12 7.488 3.425 3.620
98 HD2 PHE 12 HD2 PHE 12 9.078 -0.305 2.325
99 HE1 PHE 12 HE1 PHE 12 5.205 2.554 3.336
100 HE2 PHE 12 HE2 PHE 12 6.797 -1.181 2.037
101 HZ PHE 12 HZ PHE 12 4.857 0.249 2.542
102 H GLY 13 H GLY 13 10.569 4.089 6.487
103 HA2 GLY 13 2HA GLY 13 12.260 5.908 5.073
104 HA3 GLY 13 3HA GLY 13 11.880 5.960 6.788
Start of MODEL 19
1 H1 VAL 1 H VAL 1 1.824 0.011 0.732
2 HA VAL 1 HA VAL 1 1.395 -0.072 -2.185
3 HB VAL 1 HB VAL 1 3.604 1.334 -0.678
4 HG11 VAL 1 1HG1 VAL 1 3.149 0.908 -3.621
5 HG12 VAL 1 2HG1 VAL 1 4.201 2.174 -2.985
6 HG13 VAL 1 3HG1 VAL 1 4.566 0.478 -2.664
7 HG21 VAL 1 1HG2 VAL 1 1.101 2.246 -1.036
8 HG22 VAL 1 2HG2 VAL 1 2.520 3.293 -0.998
9 HG23 VAL 1 3HG2 VAL 1 1.839 2.786 -2.544
10 H ALA 2 H ALA 2 3.793 -0.790 0.352
11 HA ALA 2 HA ALA 2 4.635 -3.123 -1.243
12 HB1 ALA 2 1HB ALA 2 6.638 -2.135 -1.285
13 HB2 ALA 2 2HB ALA 2 6.200 -0.991 -0.016
14 HB3 ALA 2 3HB ALA 2 6.762 -2.608 0.410
15 H ARG 3 H ARG 3 4.755 -1.882 2.104
16 HA ARG 3 HA ARG 3 4.039 -4.590 3.021
17 HB2 ARG 3 2HB ARG 3 5.282 -3.332 5.169
18 HB3 ARG 3 3HB ARG 3 5.969 -4.589 4.149
19 HG2 ARG 3 2HG ARG 3 7.038 -2.979 2.755
20 HG3 ARG 3 3HG ARG 3 6.185 -1.651 3.543
21 HD2 ARG 3 2HD ARG 3 8.248 -1.559 4.569
22 HD3 ARG 3 3HD ARG 3 7.331 -2.555 5.698
23 HE ARG 3 HE ARG 3 8.485 -4.355 4.015
24 HH11 ARG 3 1HH1 ARG 3 9.679 -1.753 5.996
25 HH12 ARG 3 2HH1 ARG 3 11.217 -2.500 6.279
26 HH21 ARG 3 1HH2 ARG 3 10.505 -5.349 4.380
27 HH22 ARG 3 2HH2 ARG 3 11.686 -4.545 5.359
28 H GLY 4 H GLY 4 4.245 -1.365 4.531
29 HA2 GLY 4 2HA GLY 4 1.442 -1.727 5.397
30 HA3 GLY 4 3HA GLY 4 2.672 -0.991 6.415
31 H TRP 5 H TRP 5 3.195 -0.049 3.271
32 HA TRP 5 HA TRP 5 2.626 2.646 3.735
33 HB2 TRP 5 2HB TRP 5 3.941 1.252 1.783
34 HB3 TRP 5 3HB TRP 5 2.513 1.812 0.916
35 HD1 TRP 5 HD1 TRP 5 5.536 2.887 0.401
36 HE1 TRP 5 HE1 TRP 5 5.966 5.419 0.565
37 HE3 TRP 5 HE3 TRP 5 1.485 4.217 3.221
38 HZ2 TRP 5 HZ2 TRP 5 4.750 7.681 1.736
39 HZ3 TRP 5 HZ3 TRP 5 1.192 6.585 3.821
40 HH2 TRP 5 HH2 TRP 5 2.792 8.280 3.093
41 H GLY 6 H GLY 6 0.474 2.637 4.603
42 HA2 GLY 6 2HA GLY 6 -1.719 1.896 2.856
43 HA3 GLY 6 3HA GLY 6 -1.852 2.548 4.482
44 H ARG 7 H ARG 7 -2.028 4.744 4.789
45 HA ARG 7 HA ARG 7 -2.613 6.279 2.364
46 HB2 ARG 7 2HB ARG 7 -3.580 6.322 5.155
47 HB3 ARG 7 3HB ARG 7 -3.391 7.898 4.397
48 HG2 ARG 7 2HG ARG 7 -5.031 7.500 2.840
49 HG3 ARG 7 3HG ARG 7 -4.847 5.747 2.937
50 HD2 ARG 7 2HD ARG 7 -6.833 6.046 4.055
51 HD3 ARG 7 3HD ARG 7 -5.682 6.094 5.390
52 HE ARG 7 HE ARG 7 -6.211 8.687 4.314
53 HH11 ARG 7 1HH1 ARG 7 -7.418 6.228 6.462
54 HH12 ARG 7 2HH1 ARG 7 -8.319 7.339 7.439
55 HH21 ARG 7 1HH2 ARG 7 -7.393 10.160 5.593
56 HH22 ARG 7 2HH2 ARG 7 -8.304 9.576 6.943
57 H LYS 8 H LYS 8 -1.511 7.407 5.537
58 HA LYS 8 HA LYS 8 0.789 8.683 4.212
59 HB2 LYS 8 2HB LYS 8 0.472 10.551 5.916
60 HB3 LYS 8 3HB LYS 8 -0.696 10.474 4.604
61 HG2 LYS 8 2HG LYS 8 -2.011 10.867 6.466
62 HG3 LYS 8 3HG LYS 8 -2.137 9.120 6.251
63 HD2 LYS 8 2HD LYS 8 -0.861 8.664 8.104
64 HD3 LYS 8 3HD LYS 8 0.020 10.190 8.006
65 HE2 LYS 8 2HE LYS 8 -2.866 10.438 8.510
66 HE3 LYS 8 3HE LYS 8 -1.947 9.659 9.797
67 HZ1 LYS 8 1HZ LYS 8 -1.350 12.318 8.615
68 HZ2 LYS 8 2HZ LYS 8 -0.473 11.571 9.853
69 HZ3 LYS 8 3HZ LYS 8 -2.073 12.048 10.121
70 H CYS 9 H CYS 9 0.693 6.164 5.621
71 HA CYS 9 HA CYS 9 2.418 6.819 7.919
72 HB2 CYS 9 2HB CYS 9 0.500 4.511 7.563
73 HB3 CYS 9 3HB CYS 9 1.704 4.583 8.844
74 HG CYS 9 HG CYS 9 -1.284 5.564 9.069
75 HA PRO 10 HA PRO 10 4.897 4.525 4.725
76 HB2 PRO 10 2HB PRO 10 7.047 6.176 4.864
77 HB3 PRO 10 3HB PRO 10 5.669 6.481 3.800
78 HG2 PRO 10 2HG PRO 10 6.288 7.658 6.482
79 HG3 PRO 10 3HG PRO 10 5.685 8.461 5.020
80 HD2 PRO 10 2HD PRO 10 4.066 7.775 7.079
81 HD3 PRO 10 3HD PRO 10 3.514 7.782 5.392
82 H LEU 11 H LEU 11 6.252 2.915 5.269
83 HA LEU 11 HA LEU 11 7.615 3.076 7.876
84 HB2 LEU 11 2HB LEU 11 7.412 0.480 7.703
85 HB3 LEU 11 3HB LEU 11 6.068 1.448 8.305
86 HG LEU 11 HG LEU 11 6.206 0.646 5.420
87 HD11 LEU 11 1HD1 LEU 11 6.238 -1.221 7.444
88 HD12 LEU 11 2HD1 LEU 11 5.653 -1.478 5.801
89 HD13 LEU 11 3HD1 LEU 11 4.521 -1.042 7.081
90 HD21 LEU 11 1HD2 LEU 11 4.491 2.237 6.891
91 HD22 LEU 11 2HD2 LEU 11 3.640 0.697 6.776
92 HD23 LEU 11 3HD2 LEU 11 4.163 1.528 5.310
93 H PHE 12 H PHE 12 8.599 3.803 5.209
94 HA PHE 12 HA PHE 12 10.811 1.865 5.017
95 HB2 PHE 12 2HB PHE 12 10.010 3.572 2.688
96 HB3 PHE 12 3HB PHE 12 10.852 2.026 2.697
97 HD1 PHE 12 HD1 PHE 12 9.689 0.143 2.083
98 HD2 PHE 12 HD2 PHE 12 7.547 3.486 3.617
99 HE1 PHE 12 HE1 PHE 12 7.565 -1.017 1.636
100 HE2 PHE 12 HE2 PHE 12 5.420 2.331 3.173
101 HZ PHE 12 HZ PHE 12 5.427 0.077 2.182
102 H GLY 13 H GLY 13 10.541 4.320 6.643
103 HA2 GLY 13 2HA GLY 13 12.111 6.378 5.441
104 HA3 GLY 13 3HA GLY 13 11.710 6.240 7.146
Start of MODEL 20
1 H1 VAL 1 H VAL 1 1.384 0.357 1.133
2 HA VAL 1 HA VAL 1 0.702 0.260 -1.735
3 HB VAL 1 HB VAL 1 3.117 1.542 -0.449
4 HG11 VAL 1 1HG1 VAL 1 3.846 0.590 -2.491
5 HG12 VAL 1 2HG1 VAL 1 2.386 1.107 -3.336
6 HG13 VAL 1 3HG1 VAL 1 3.573 2.302 -2.811
7 HG21 VAL 1 1HG2 VAL 1 2.135 3.560 -0.717
8 HG22 VAL 1 2HG2 VAL 1 1.299 3.079 -2.193
9 HG23 VAL 1 3HG2 VAL 1 0.652 2.610 -0.621
10 H ALA 2 H ALA 2 3.259 -0.573 0.603
11 HA ALA 2 HA ALA 2 3.809 -2.982 -1.007
12 HB1 ALA 2 1HB ALA 2 6.114 -2.650 0.364
13 HB2 ALA 2 2HB ALA 2 5.830 -2.026 -1.261
14 HB3 ALA 2 3HB ALA 2 5.624 -0.970 0.137
15 H ARG 3 H ARG 3 4.294 -1.696 2.290
16 HA ARG 3 HA ARG 3 3.494 -4.338 3.322
17 HB2 ARG 3 2HB ARG 3 4.990 -3.127 5.330
18 HB3 ARG 3 3HB ARG 3 5.510 -4.439 4.282
19 HG2 ARG 3 2HG ARG 3 6.550 -2.918 2.769
20 HG3 ARG 3 3HG ARG 3 5.852 -1.529 3.604
21 HD2 ARG 3 2HD ARG 3 8.000 -1.554 4.444
22 HD3 ARG 3 3HD ARG 3 7.122 -2.472 5.668
23 HE ARG 3 HE ARG 3 8.262 -4.108 3.600
24 HH11 ARG 3 1HH1 ARG 3 8.850 -2.526 6.645
25 HH12 ARG 3 2HH1 ARG 3 10.133 -3.596 7.102
26 HH21 ARG 3 1HH2 ARG 3 9.951 -5.524 4.191
27 HH22 ARG 3 2HH2 ARG 3 10.759 -5.300 5.705
28 H GLY 4 H GLY 4 4.028 -1.110 4.744
29 HA2 GLY 4 2HA GLY 4 1.291 -1.278 5.847
30 HA3 GLY 4 3HA GLY 4 2.646 -0.608 6.744
31 H TRP 5 H TRP 5 2.954 0.250 3.546
32 HA TRP 5 HA TRP 5 2.601 2.984 4.002
33 HB2 TRP 5 2HB TRP 5 3.653 1.478 1.976
34 HB3 TRP 5 3HB TRP 5 2.195 2.116 1.220
35 HD1 TRP 5 HD1 TRP 5 5.228 2.985 0.435
36 HE1 TRP 5 HE1 TRP 5 5.828 5.487 0.509
37 HE3 TRP 5 HE3 TRP 5 1.517 4.618 3.548
38 HZ2 TRP 5 HZ2 TRP 5 4.857 7.841 1.726
39 HZ3 TRP 5 HZ3 TRP 5 1.423 7.010 4.118
40 HH2 TRP 5 HH2 TRP 5 3.060 8.586 3.226
41 H GLY 6 H GLY 6 0.534 3.127 5.049
42 HA2 GLY 6 2HA GLY 6 -1.841 2.507 3.502
43 HA3 GLY 6 3HA GLY 6 -1.796 3.181 5.125
44 H ARG 7 H ARG 7 -1.835 5.380 5.414
45 HA ARG 7 HA ARG 7 -2.527 6.928 3.028
46 HB2 ARG 7 2HB ARG 7 -3.225 7.058 5.892
47 HB3 ARG 7 3HB ARG 7 -2.990 8.615 5.108
48 HG2 ARG 7 2HG ARG 7 -5.097 8.466 4.435
49 HG3 ARG 7 3HG ARG 7 -4.567 7.197 3.328
50 HD2 ARG 7 2HD ARG 7 -5.487 6.742 6.164
51 HD3 ARG 7 3HD ARG 7 -6.495 6.533 4.733
52 HE ARG 7 HE ARG 7 -4.523 4.719 5.726
53 HH11 ARG 7 1HH1 ARG 7 -6.113 5.855 2.844
54 HH12 ARG 7 2HH1 ARG 7 -5.852 4.386 1.964
55 HH21 ARG 7 1HH2 ARG 7 -4.173 2.780 4.578
56 HH22 ARG 7 2HH2 ARG 7 -4.749 2.637 2.951
57 H LYS 8 H LYS 8 -1.065 8.034 6.058
58 HA LYS 8 HA LYS 8 1.186 9.123 4.501
59 HB2 LYS 8 2HB LYS 8 1.152 11.133 5.859
60 HB3 LYS 8 3HB LYS 8 -0.418 10.906 5.099
61 HG2 LYS 8 2HG LYS 8 0.081 9.920 7.877
62 HG3 LYS 8 3HG LYS 8 -0.311 11.614 7.574
63 HD2 LYS 8 2HD LYS 8 -2.242 10.472 6.124
64 HD3 LYS 8 3HD LYS 8 -1.999 9.191 7.314
65 HE2 LYS 8 2HE LYS 8 -2.033 11.488 8.841
66 HE3 LYS 8 3HE LYS 8 -3.250 11.805 7.605
67 HZ1 LYS 8 1HZ LYS 8 -4.239 10.734 9.510
68 HZ2 LYS 8 2HZ LYS 8 -3.156 9.440 9.399
69 HZ3 LYS 8 3HZ LYS 8 -4.302 9.690 8.180
70 H CYS 9 H CYS 9 1.070 6.647 5.964
71 HA CYS 9 HA CYS 9 3.023 7.232 8.092
72 HB2 CYS 9 2HB CYS 9 0.840 5.165 7.966
73 HB3 CYS 9 3HB CYS 9 2.236 4.951 9.016
74 HG CYS 9 HG CYS 9 -0.500 6.483 9.697
75 HA PRO 10 HA PRO 10 5.070 4.732 4.752
76 HB2 PRO 10 2HB PRO 10 7.325 6.243 4.675
77 HB3 PRO 10 3HB PRO 10 5.883 6.620 3.725
78 HG2 PRO 10 2HG PRO 10 6.802 7.795 6.320
79 HG3 PRO 10 3HG PRO 10 6.128 8.613 4.898
80 HD2 PRO 10 2HD PRO 10 4.651 8.064 7.100
81 HD3 PRO 10 3HD PRO 10 3.958 8.082 5.466
82 H LEU 11 H LEU 11 6.357 3.045 5.215
83 HA LEU 11 HA LEU 11 7.949 3.157 7.693
84 HB2 LEU 11 2HB LEU 11 7.565 0.578 7.596
85 HB3 LEU 11 3HB LEU 11 6.341 1.643 8.285
86 HG LEU 11 HG LEU 11 6.184 0.781 5.418
87 HD11 LEU 11 1HD1 LEU 11 5.529 -1.293 5.894
88 HD12 LEU 11 2HD1 LEU 11 4.539 -0.759 7.252
89 HD13 LEU 11 3HD1 LEU 11 6.264 -1.045 7.478
90 HD21 LEU 11 1HD2 LEU 11 3.746 1.024 6.967
91 HD22 LEU 11 2HD2 LEU 11 4.207 1.805 5.454
92 HD23 LEU 11 3HD2 LEU 11 4.702 2.506 6.995
93 H PHE 12 H PHE 12 8.747 3.777 4.940
94 HA PHE 12 HA PHE 12 10.803 1.694 4.601
95 HB2 PHE 12 2HB PHE 12 9.916 3.414 2.313
96 HB3 PHE 12 3HB PHE 12 10.655 1.816 2.283
97 HD1 PHE 12 HD1 PHE 12 9.326 0.005 1.807
98 HD2 PHE 12 HD2 PHE 12 7.542 3.503 3.451
99 HE1 PHE 12 HE1 PHE 12 7.102 -1.020 1.565
100 HE2 PHE 12 HE2 PHE 12 5.316 2.483 3.212
101 HZ PHE 12 HZ PHE 12 5.094 0.219 2.269
102 H GLY 13 H GLY 13 10.822 4.197 6.185
103 HA2 GLY 13 2HA GLY 13 12.916 5.685 4.733
104 HA3 GLY 13 3HA GLY 13 11.915 6.357 6.011