Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
608896 | 2n5y RC | 25741 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 4N3 1 H DVA 1 1.142 2.707 -0.780
2 HA 4N3 1 HA DVA 1 3.959 2.443 -0.440
3 HB 4N3 1 HB DVA 1 2.571 3.536 1.254
4 HG13 4N3 1 HG13 DVA 1 1.321 5.424 0.926
5 HG11 4N3 1 HG11 DVA 1 1.181 4.680 -0.667
6 HG12 4N3 1 HG12 DVA 1 2.329 5.994 -0.405
7 HG22 4N3 1 HG22 DVA 1 4.121 5.150 1.868
8 HG23 4N3 1 HG23 DVA 1 4.392 5.668 0.204
9 HG21 4N3 1 HG21 DVA 1 5.044 4.129 0.766
10 HD2 4N3 1 HD2 DVA 1 2.369 -0.787 -1.953
11 HD1 4N3 1 HD1 DVA 1 2.776 -0.010 -0.405
12 HE1 4N3 1 HE1 DVA 1 0.729 -1.044 0.119
13 HE2 4N3 1 HE2 DVA 1 0.187 0.581 -0.364
14 HF2 4N3 1 HF2 DVA 1 0.459 -1.538 -2.499
15 HF1 4N3 1 HF1 DVA 1 -0.667 -0.162 -2.409
16 HH1 4N3 1 HH1 DVA 1 -2.032 -2.074 -1.975
17 HH2 4N3 1 HH2 DVA 1 -1.709 -1.387 -0.365
18 HI1 4N3 1 HI1 DVA 1 0.364 -3.005 -0.356
19 HI2 4N3 1 HI2 DVA 1 -1.251 -3.692 -0.057
20 HJ1 4N3 1 HJ1 DVA 1 -0.267 -3.516 -2.906
21 HJ2 4N3 1 HJ2 DVA 1 -1.362 -4.704 -2.160
22 HK3 4N3 1 HK3 DVA 1 1.070 -5.473 -2.751
23 HK2 4N3 1 HK2 DVA 1 0.425 -5.896 -1.147
24 HK1 4N3 1 HK1 DVA 1 1.555 -4.531 -1.320
25 H1 4FO 2 H 4FO 2 5.588 3.175 -1.582
26 HA 4FO 2 HA 4FO 2 5.141 4.777 -4.094
27 HB2 4FO 2 HB2 4FO 2 6.696 2.773 -4.095
28 HB3 4FO 2 HB3 4FO 2 7.407 4.315 -4.643
29 HG3 4FO 2 HG3 4FO 2 7.966 2.962 -1.901
30 HG2 4FO 2 HG2 4FO 2 8.558 4.584 -2.408
31 HZ3 4FO 2 HZ3 4FO 2 9.316 2.982 -4.513
32 HZ2 4FO 2 HZ1 4FO 2 10.322 3.477 -3.193
33 HZ1 4FO 2 HZ2 4FO 2 9.525 1.980 -3.175
34 H GLY 3 H GLY 3 6.612 5.167 -0.873
35 HA2 GLY 3 HA2 GLY 3 7.003 8.013 -1.569
36 HA3 GLY 3 HA3 GLY 3 6.416 7.479 -0.001
37 H DSN 4 H DSN 4 8.399 5.168 -0.219
38 HA DSN 4 HA DSN 4 10.956 6.516 0.000
39 HB2 DSN 4 HB2 DSN 4 10.611 4.216 -1.048
40 HB3 DSN 4 HB3 DSN 4 10.397 3.609 0.594
41 HG DSN 4 HG DSN 4 12.472 3.768 0.916
42 H DTR 5 H DTR 5 8.939 4.486 2.125
43 HA DTR 5 HA DTR 5 10.465 4.833 4.447
44 HB2 DTR 5 HB2 DTR 5 8.770 3.724 5.559
45 HB3 DTR 5 HB3 DTR 5 8.454 3.227 3.899
46 HD1 DTR 5 HD1 DTR 5 6.770 5.499 2.735
47 HE1 DTR 5 HE1 DTR 5 4.450 6.097 3.675
48 HZ2 DTR 5 HZ2 DTR 5 3.009 5.754 6.078
49 HH2 DTR 5 HH2 DTR 5 3.273 4.767 8.312
50 HZ3 DTR 5 HZ3 DTR 5 5.343 3.649 8.964
51 HE3 DTR 5 HE3 DTR 5 7.239 3.471 7.405
52 H SER 6 H SER 6 9.091 5.804 6.477
53 HA SER 6 HA SER 6 7.887 8.355 5.901
54 HB2 SER 6 HB2 SER 6 7.350 8.460 8.163
55 HB3 SER 6 HB3 SER 6 7.409 6.719 7.889
56 HG SER 6 HG SER 6 9.033 6.597 9.211
57 H DAB 7 H DAB 7 9.029 10.016 5.289
58 HA DAB 7 HA DAB 7 11.591 10.714 6.782
59 HB2 DAB 7 HB2 DAB 7 12.651 11.519 4.803
60 HB3 DAB 7 HB3 DAB 7 11.108 11.593 3.911
61 HG2 DAB 7 HG2 DAB 7 11.056 9.115 3.677
62 HG3 DAB 7 HG3 DAB 7 12.609 8.952 4.572
63 HD1 DAB 7 HZ3 DAB 7 13.778 9.800 2.741
64 HD2 DAB 7 HZ2 DAB 7 12.497 9.019 1.974
65 HZ1 DAB 7 HZ1 DAB 7 12.432 10.706 2.133
66 H1 4FO 8 H 4FO 8 8.557 11.400 6.845
67 HA 4FO 8 HA 4FO 8 8.772 14.227 7.618
68 HB2 4FO 8 HB2 4FO 8 6.197 14.111 7.551
69 HB3 4FO 8 HB3 4FO 8 6.365 12.438 6.954
70 HG3 4FO 8 HG3 4FO 8 7.726 12.008 9.241
71 HG2 4FO 8 HG2 4FO 8 5.927 12.055 9.198
72 HZ3 4FO 8 HZ3 4FO 8 5.876 14.249 10.081
73 HZ2 4FO 8 HZ1 4FO 8 7.036 13.391 11.039
74 HZ1 4FO 8 HZ2 4FO 8 7.527 14.481 9.837
75 H PHE 9 H PHE 9 6.734 12.910 4.961
76 HA PHE 9 HA PHE 9 7.293 15.409 3.515
77 HB2 PHE 9 HB2 PHE 9 7.349 14.152 1.400
78 HB3 PHE 9 HB3 PHE 9 8.623 13.626 2.496
79 HD1 PHE 9 HD1 PHE 9 8.226 11.515 3.855
80 HD2 PHE 9 HD2 PHE 9 5.831 12.625 0.516
81 HE1 PHE 9 HE1 PHE 9 7.450 9.190 3.642
82 HE2 PHE 9 HE2 PHE 9 5.051 10.302 0.299
83 HZ PHE 9 HZ PHE 9 5.860 8.581 1.863
84 H GLU 10 H GLU 10 5.122 12.671 4.000
85 HA GLU 10 HA GLU 10 2.845 14.407 3.513
86 HB2 GLU 10 HB2 GLU 10 3.582 13.262 1.316
87 HB3 GLU 10 HB3 GLU 10 2.950 11.789 2.039
88 HG2 GLU 10 HG2 GLU 10 0.766 12.565 2.025
89 HG3 GLU 10 HG3 GLU 10 1.262 14.250 1.880
90 H VAL 11 H VAL 11 2.866 13.945 5.867
91 HA VAL 11 HA VAL 11 1.495 11.397 6.434
92 HB VAL 11 HB VAL 11 2.436 11.493 8.720
93 HG11 VAL 11 HG11 VAL 11 3.514 10.090 7.082
94 HG12 VAL 11 HG12 VAL 11 4.448 11.458 6.474
95 HG13 VAL 11 HG13 VAL 11 4.741 10.842 8.101
96 HG21 VAL 11 HG21 VAL 11 2.830 13.969 8.680
97 HG22 VAL 11 HG22 VAL 11 4.174 13.016 9.310
98 HG23 VAL 11 HG23 VAL 11 4.244 13.663 7.671
99 H20 28J 12 H 28J 12 -0.296 11.416 7.667
100 H21 28J 12 HA 28J 12 -1.897 13.831 7.658
101 H22 28J 12 HB 28J 12 -0.419 14.416 9.604
102 H23 28J 12 HG21 28J 12 -3.320 13.896 10.563
103 H24 28J 12 HG22 28J 12 -2.238 15.239 11.011
104 H25 28J 12 HG23 28J 12 -2.909 15.153 9.346
105 H26 28J 12 HG12 28J 12 -1.755 12.034 11.051
106 H27 28J 12 HG13 28J 12 -0.108 11.986 10.344
107 H28 28J 12 HD13 28J 12 -0.076 12.491 12.835
108 H29 28J 12 HD11 28J 12 0.677 13.788 11.857
109 H30 28J 12 HD12 28J 12 -0.979 14.020 12.516
110 H ALA 13 H ALA 13 -3.647 13.070 6.974
111 HA ALA 13 HA ALA 13 -4.799 10.688 8.274
112 HB1 ALA 13 HB1 ALA 13 -6.445 12.722 6.818
113 HB2 ALA 13 HB2 ALA 13 -6.932 11.584 8.075
114 HB3 ALA 13 HB3 ALA 13 -5.950 12.989 8.490
Start of MODEL 2
1 H1 4N3 1 H DVA 1 0.806 1.278 1.560
2 HA 4N3 1 HA DVA 1 3.648 1.855 1.172
3 HB 4N3 1 HB DVA 1 3.262 2.508 3.471
4 HG13 4N3 1 HG13 DVA 1 0.741 3.476 2.386
5 HG11 4N3 1 HG11 DVA 1 1.533 4.651 3.437
6 HG12 4N3 1 HG12 DVA 1 1.168 3.033 4.040
7 HG22 4N3 1 HG22 DVA 1 4.343 4.495 3.318
8 HG23 4N3 1 HG23 DVA 1 3.178 5.166 2.177
9 HG21 4N3 1 HG21 DVA 1 4.421 4.049 1.613
10 HD2 4N3 1 HD2 DVA 1 3.585 -0.422 3.615
11 HD1 4N3 1 HD1 DVA 1 2.145 0.527 4.052
12 HE1 4N3 1 HE1 DVA 1 0.758 -1.577 3.610
13 HE2 4N3 1 HE2 DVA 1 2.292 -2.468 3.472
14 HF2 4N3 1 HF2 DVA 1 1.250 -0.947 5.909
15 HF1 4N3 1 HF1 DVA 1 2.907 -1.588 5.782
16 HH1 4N3 1 HH1 DVA 1 1.622 -3.841 5.129
17 HH2 4N3 1 HH2 DVA 1 0.290 -3.075 6.028
18 HI1 4N3 1 HI1 DVA 1 1.900 -4.566 7.401
19 HI2 4N3 1 HI2 DVA 1 3.107 -3.277 7.175
20 HJ1 4N3 1 HJ1 DVA 1 0.361 -2.997 8.490
21 HJ2 4N3 1 HJ2 DVA 1 1.455 -1.635 8.148
22 HK3 4N3 1 HK3 DVA 1 3.212 -2.702 9.560
23 HK2 4N3 1 HK2 DVA 1 2.101 -4.046 9.918
24 HK1 4N3 1 HK1 DVA 1 1.727 -2.403 10.493
25 H1 4FO 2 H 4FO 2 4.098 3.277 -0.384
26 HA 4FO 2 HA 4FO 2 1.816 4.480 -1.983
27 HB2 4FO 2 HB2 4FO 2 3.253 3.323 -3.480
28 HB3 4FO 2 HB3 4FO 2 3.706 5.044 -3.609
29 HG3 4FO 2 HG3 4FO 2 5.698 4.435 -1.923
30 HG2 4FO 2 HG2 4FO 2 5.788 4.003 -3.668
31 HZ3 4FO 2 HZ3 4FO 2 6.423 2.042 -2.660
32 HZ2 4FO 2 HZ1 4FO 2 5.259 2.152 -1.383
33 HZ1 4FO 2 HZ2 4FO 2 4.787 1.778 -2.967
34 H GLY 3 H GLY 3 4.905 5.438 -0.411
35 HA2 GLY 3 HA2 GLY 3 3.901 8.215 -0.531
36 HA3 GLY 3 HA3 GLY 3 4.632 7.549 0.922
37 H DSN 4 H DSN 4 6.742 6.124 -0.341
38 HA DSN 4 HA DSN 4 8.292 8.258 -1.633
39 HB2 DSN 4 HB2 DSN 4 8.081 6.038 -2.792
40 HB3 DSN 4 HB3 DSN 4 8.978 5.316 -1.457
41 HG DSN 4 HG DSN 4 9.990 6.407 -3.585
42 H DTR 5 H DTR 5 7.767 8.152 1.236
43 HA DTR 5 HA DTR 5 10.552 8.187 2.137
44 HB2 DTR 5 HB2 DTR 5 10.258 6.769 3.923
45 HB3 DTR 5 HB3 DTR 5 9.149 6.031 2.771
46 HD1 DTR 5 HD1 DTR 5 6.546 7.556 3.059
47 HE1 DTR 5 HE1 DTR 5 5.231 7.652 5.270
48 HZ2 DTR 5 HZ2 DTR 5 5.734 7.299 8.025
49 HH2 DTR 5 HH2 DTR 5 7.581 6.758 9.552
50 HZ3 DTR 5 HZ3 DTR 5 9.834 6.337 8.711
51 HE3 DTR 5 HE3 DTR 5 10.334 6.438 6.304
52 H SER 6 H SER 6 10.441 9.026 4.604
53 HA SER 6 HA SER 6 8.413 11.060 4.975
54 HB2 SER 6 HB2 SER 6 9.352 11.384 7.149
55 HB3 SER 6 HB3 SER 6 9.364 9.646 6.853
56 HG SER 6 HG SER 6 11.622 10.194 6.008
57 H DAB 7 H DAB 7 9.176 12.003 2.860
58 HA DAB 7 HA DAB 7 11.523 13.904 3.136
59 HB2 DAB 7 HB2 DAB 7 11.002 14.481 0.728
60 HB3 DAB 7 HB3 DAB 7 9.625 13.347 0.782
61 HG2 DAB 7 HG2 DAB 7 11.907 12.635 -0.366
62 HG3 DAB 7 HG3 DAB 7 10.987 11.415 0.586
63 HD1 DAB 7 HZ3 DAB 7 12.536 11.898 2.480
64 HD2 DAB 7 HZ2 DAB 7 13.333 11.365 1.095
65 HZ1 DAB 7 HZ1 DAB 7 13.402 13.015 1.480
66 H1 4FO 8 H 4FO 8 8.012 13.779 3.162
67 HA 4FO 8 HA 4FO 8 7.848 16.818 3.243
68 HB2 4FO 8 HB2 4FO 8 5.859 16.410 4.900
69 HB3 4FO 8 HB3 4FO 8 6.516 14.762 5.088
70 HG3 4FO 8 HG3 4FO 8 8.763 15.895 5.897
71 HG2 4FO 8 HG2 4FO 8 7.326 15.909 6.980
72 HZ3 4FO 8 HZ3 4FO 8 6.879 18.174 6.518
73 HZ2 4FO 8 HZ1 4FO 8 8.597 18.099 6.728
74 HZ1 4FO 8 HZ2 4FO 8 7.907 18.205 5.183
75 H PHE 9 H PHE 9 5.469 14.121 3.335
76 HA PHE 9 HA PHE 9 4.165 15.415 1.036
77 HB2 PHE 9 HB2 PHE 9 3.622 13.247 0.099
78 HB3 PHE 9 HB3 PHE 9 5.363 13.352 0.341
79 HD1 PHE 9 HD1 PHE 9 6.281 12.342 2.538
80 HD2 PHE 9 HD2 PHE 9 2.455 11.428 0.912
81 HE1 PHE 9 HE1 PHE 9 6.227 10.259 3.846
82 HE2 PHE 9 HE2 PHE 9 2.394 9.344 2.218
83 HZ PHE 9 HZ PHE 9 4.281 8.757 3.688
84 H GLU 10 H GLU 10 3.580 15.785 3.810
85 HA GLU 10 HA GLU 10 1.785 15.919 5.202
86 HB2 GLU 10 HB2 GLU 10 0.170 14.864 2.877
87 HB3 GLU 10 HB3 GLU 10 -0.429 15.770 4.259
88 HG2 GLU 10 HG2 GLU 10 1.559 16.898 2.313
89 HG3 GLU 10 HG3 GLU 10 -0.185 17.046 2.102
90 H VAL 11 H VAL 11 3.219 13.839 5.818
91 HA VAL 11 HA VAL 11 1.552 11.437 5.809
92 HB VAL 11 HB VAL 11 3.891 11.109 5.237
93 HG11 VAL 11 HG11 VAL 11 5.401 11.397 7.472
94 HG12 VAL 11 HG12 VAL 11 5.300 12.590 6.175
95 HG13 VAL 11 HG13 VAL 11 4.307 12.772 7.622
96 HG21 VAL 11 HG21 VAL 11 2.474 9.561 6.886
97 HG22 VAL 11 HG22 VAL 11 4.125 9.172 6.400
98 HG23 VAL 11 HG23 VAL 11 3.822 9.942 7.958
99 H20 28J 12 H 28J 12 0.773 10.440 7.598
100 H21 28J 12 HA 28J 12 -0.015 12.182 9.799
101 H22 28J 12 HB 28J 12 2.447 11.446 10.375
102 H23 28J 12 HG21 28J 12 0.425 10.834 12.618
103 H24 28J 12 HG22 28J 12 1.947 11.757 12.693
104 H25 28J 12 HG23 28J 12 0.505 12.480 11.901
105 H26 28J 12 HG12 28J 12 0.963 8.891 11.281
106 H27 28J 12 HG13 28J 12 1.950 8.999 9.787
107 H28 28J 12 HD13 28J 12 3.999 9.080 10.954
108 H29 28J 12 HD11 28J 12 3.289 9.905 12.374
109 H30 28J 12 HD12 28J 12 3.017 8.143 12.142
110 H ALA 13 H ALA 13 -1.704 11.507 10.892
111 HA ALA 13 HA ALA 13 -2.650 8.837 10.964
112 HB1 ALA 13 HB1 ALA 13 -3.230 10.627 12.607
113 HB2 ALA 13 HB2 ALA 13 -4.279 11.337 11.379
114 HB3 ALA 13 HB3 ALA 13 -4.614 9.719 11.996
Start of MODEL 3
1 H1 4N3 1 H DVA 1 4.403 1.886 -2.218
2 HA 4N3 1 HA DVA 1 5.788 1.642 0.148
3 HB 4N3 1 HB DVA 1 3.771 2.495 1.269
4 HG13 4N3 1 HG13 DVA 1 4.159 5.219 0.176
5 HG11 4N3 1 HG11 DVA 1 2.690 4.414 0.727
6 HG12 4N3 1 HG12 DVA 1 3.355 4.042 -0.864
7 HG22 4N3 1 HG22 DVA 1 4.866 4.037 2.683
8 HG23 4N3 1 HG23 DVA 1 5.919 4.597 1.384
9 HG21 4N3 1 HG21 DVA 1 6.131 2.981 2.057
10 HD2 4N3 1 HD2 DVA 1 4.683 -0.610 -0.582
11 HD1 4N3 1 HD1 DVA 1 3.421 -0.548 0.671
12 HE1 4N3 1 HE1 DVA 1 2.641 -2.341 -0.613
13 HE2 4N3 1 HE2 DVA 1 1.809 -0.991 -1.421
14 HF2 4N3 1 HF2 DVA 1 3.248 -2.789 -2.818
15 HF1 4N3 1 HF1 DVA 1 4.581 -1.699 -2.367
16 HH1 4N3 1 HH1 DVA 1 3.791 -0.801 -4.424
17 HH2 4N3 1 HH2 DVA 1 3.013 0.221 -3.192
18 HI1 4N3 1 HI1 DVA 1 1.763 -2.138 -4.683
19 HI2 4N3 1 HI2 DVA 1 0.987 -1.302 -3.315
20 HJ1 4N3 1 HJ1 DVA 1 1.184 0.863 -4.603
21 HJ2 4N3 1 HJ2 DVA 1 0.142 -0.337 -5.403
22 HK3 4N3 1 HK3 DVA 1 3.060 0.281 -6.072
23 HK2 4N3 1 HK2 DVA 1 1.639 0.646 -7.079
24 HK1 4N3 1 HK1 DVA 1 2.123 -1.044 -6.802
25 H1 4FO 2 H 4FO 2 7.650 2.748 0.122
26 HA 4FO 2 HA 4FO 2 7.991 5.016 -1.887
27 HB2 4FO 2 HB2 4FO 2 9.180 3.037 -2.763
28 HB3 4FO 2 HB3 4FO 2 10.306 4.315 -2.230
29 HG3 4FO 2 HG3 4FO 2 10.719 1.650 -1.662
30 HG2 4FO 2 HG2 4FO 2 9.753 2.118 -0.217
31 HZ3 4FO 2 HZ3 4FO 2 11.351 3.992 0.158
32 HZ2 4FO 2 HZ1 4FO 2 12.084 2.427 0.260
33 HZ1 4FO 2 HZ2 4FO 2 12.293 3.404 -1.110
34 H GLY 3 H GLY 3 9.411 3.569 1.097
35 HA2 GLY 3 HA2 GLY 3 9.332 6.082 2.441
36 HA3 GLY 3 HA3 GLY 3 10.130 4.624 3.012
37 H DSN 4 H DSN 4 11.979 5.643 3.727
38 HA DSN 4 HA DSN 4 13.748 6.619 1.592
39 HB2 DSN 4 HB2 DSN 4 14.493 4.618 2.890
40 HB3 DSN 4 HB3 DSN 4 14.514 5.616 4.344
41 HG DSN 4 HG DSN 4 15.933 6.457 2.074
42 H DTR 5 H DTR 5 11.696 8.197 3.043
43 HA DTR 5 HA DTR 5 13.159 10.571 3.382
44 HB2 DTR 5 HB2 DTR 5 13.396 10.853 5.653
45 HB3 DTR 5 HB3 DTR 5 13.639 9.112 5.537
46 HD1 DTR 5 HD1 DTR 5 10.854 7.907 5.583
47 HE1 DTR 5 HE1 DTR 5 9.247 8.213 7.569
48 HZ2 DTR 5 HZ2 DTR 5 8.890 10.005 9.721
49 HH2 DTR 5 HH2 DTR 5 9.899 12.030 10.677
50 HZ3 DTR 5 HZ3 DTR 5 11.858 13.069 9.656
51 HE3 DTR 5 HE3 DTR 5 12.892 12.123 7.633
52 H SER 6 H SER 6 11.667 12.193 4.787
53 HA SER 6 HA SER 6 8.844 11.660 4.450
54 HB2 SER 6 HB2 SER 6 8.469 13.694 5.625
55 HB3 SER 6 HB3 SER 6 9.864 12.945 6.401
56 HG SER 6 HG SER 6 9.928 15.302 5.763
57 H DAB 7 H DAB 7 8.248 11.591 2.386
58 HA DAB 7 HA DAB 7 8.722 14.055 0.649
59 HB2 DAB 7 HB2 DAB 7 8.618 12.720 -1.317
60 HB3 DAB 7 HB3 DAB 7 7.798 11.383 -0.466
61 HG2 DAB 7 HG2 DAB 7 9.830 10.544 0.495
62 HG3 DAB 7 HG3 DAB 7 10.783 12.013 0.083
63 HD1 DAB 7 HZ3 DAB 7 9.705 10.975 -2.334
64 HD2 DAB 7 HZ2 DAB 7 11.307 10.997 -1.812
65 HZ1 DAB 7 HZ1 DAB 7 10.359 9.641 -1.444
66 H1 4FO 8 H 4FO 8 6.401 11.800 2.038
67 HA 4FO 8 HA 4FO 8 4.094 13.260 0.697
68 HB2 4FO 8 HB2 4FO 8 2.798 13.104 2.841
69 HB3 4FO 8 HB3 4FO 8 4.222 12.386 3.640
70 HG3 4FO 8 HG3 4FO 8 4.872 15.086 2.505
71 HG2 4FO 8 HG2 4FO 8 5.135 14.388 4.143
72 HZ3 4FO 8 HZ3 4FO 8 2.329 14.994 3.595
73 HZ2 4FO 8 HZ1 4FO 8 3.324 15.379 4.959
74 HZ1 4FO 8 HZ2 4FO 8 3.356 16.329 3.556
75 H PHE 9 H PHE 9 4.361 10.533 3.023
76 HA PHE 9 HA PHE 9 2.708 8.981 1.160
77 HB2 PHE 9 HB2 PHE 9 4.078 6.986 1.533
78 HB3 PHE 9 HB3 PHE 9 5.042 8.279 0.827
79 HD1 PHE 9 HD1 PHE 9 6.411 9.726 2.465
80 HD2 PHE 9 HD2 PHE 9 4.809 5.906 3.441
81 HE1 PHE 9 HE1 PHE 9 8.038 9.517 4.298
82 HE2 PHE 9 HE2 PHE 9 6.433 5.691 5.277
83 HZ PHE 9 HZ PHE 9 8.049 7.498 5.708
84 H GLU 10 H GLU 10 3.994 9.342 4.430
85 HA GLU 10 HA GLU 10 1.442 8.474 5.512
86 HB2 GLU 10 HB2 GLU 10 2.703 6.381 5.351
87 HB3 GLU 10 HB3 GLU 10 4.034 7.101 6.246
88 HG2 GLU 10 HG2 GLU 10 2.323 7.471 8.115
89 HG3 GLU 10 HG3 GLU 10 1.316 6.326 7.230
90 H VAL 11 H VAL 11 1.431 10.747 6.047
91 HA VAL 11 HA VAL 11 3.053 11.341 8.436
92 HB VAL 11 HB VAL 11 2.933 13.739 7.812
93 HG11 VAL 11 HG11 VAL 11 4.955 12.585 7.312
94 HG12 VAL 11 HG12 VAL 11 4.250 11.852 5.869
95 HG13 VAL 11 HG13 VAL 11 4.565 13.587 5.914
96 HG21 VAL 11 HG21 VAL 11 1.889 14.527 5.967
97 HG22 VAL 11 HG22 VAL 11 2.268 13.097 5.007
98 HG23 VAL 11 HG23 VAL 11 0.929 13.060 6.155
99 H20 28J 12 H 28J 12 0.291 10.212 7.914
100 H21 28J 12 HA 28J 12 -1.716 12.204 8.589
101 H22 28J 12 HB 28J 12 -0.439 12.099 10.790
102 H23 28J 12 HG21 28J 12 -3.326 11.065 11.167
103 H24 28J 12 HG22 28J 12 -2.451 12.302 12.103
104 H25 28J 12 HG23 28J 12 -3.001 12.673 10.433
105 H26 28J 12 HG12 28J 12 -1.173 9.966 12.212
106 H27 28J 12 HG13 28J 12 -1.364 9.184 10.609
107 H28 28J 12 HD13 28J 12 1.041 9.248 12.031
108 H29 28J 12 HD11 28J 12 0.905 9.004 10.263
109 H30 28J 12 HD12 28J 12 1.256 10.645 10.910
110 H ALA 13 H ALA 13 -3.777 11.445 8.699
111 HA ALA 13 HA ALA 13 -4.253 9.194 7.041
112 HB1 ALA 13 HB1 ALA 13 -4.094 7.654 8.692
113 HB2 ALA 13 HB2 ALA 13 -4.452 8.820 9.966
114 HB3 ALA 13 HB3 ALA 13 -5.760 8.153 8.988
Start of MODEL 4
1 H1 4N3 1 H DVA 1 1.096 2.788 0.943
2 HA 4N3 1 HA DVA 1 3.479 4.072 1.480
3 HB 4N3 1 HB DVA 1 1.358 5.097 2.027
4 HG13 4N3 1 HG13 DVA 1 0.741 4.514 -0.689
5 HG11 4N3 1 HG11 DVA 1 0.556 6.249 -0.432
6 HG12 4N3 1 HG12 DVA 1 -0.327 5.109 0.584
7 HG22 4N3 1 HG22 DVA 1 2.150 7.197 1.869
8 HG23 4N3 1 HG23 DVA 1 2.293 7.118 0.113
9 HG21 4N3 1 HG21 DVA 1 3.552 6.422 1.133
10 HD2 4N3 1 HD2 DVA 1 2.239 -0.366 0.704
11 HD1 4N3 1 HD1 DVA 1 0.789 0.658 0.585
12 HE1 4N3 1 HE1 DVA 1 0.713 -0.486 -1.468
13 HE2 4N3 1 HE2 DVA 1 1.599 0.988 -1.925
14 HF2 4N3 1 HF2 DVA 1 3.754 -0.345 -1.351
15 HF1 4N3 1 HF1 DVA 1 2.894 -0.804 -2.840
16 HH1 4N3 1 HH1 DVA 1 2.272 -2.169 -0.198
17 HH2 4N3 1 HH2 DVA 1 3.632 -2.713 -1.208
18 HI1 4N3 1 HI1 DVA 1 0.672 -2.625 -1.943
19 HI2 4N3 1 HI2 DVA 1 1.956 -2.830 -3.159
20 HJ1 4N3 1 HJ1 DVA 1 0.822 -4.965 -2.045
21 HJ2 4N3 1 HJ2 DVA 1 1.948 -4.610 -0.713
22 HK3 4N3 1 HK3 DVA 1 2.676 -6.177 -2.771
23 HK2 4N3 1 HK2 DVA 1 3.835 -5.068 -2.000
24 HK1 4N3 1 HK1 DVA 1 3.039 -4.605 -3.524
25 H1 4FO 2 H 4FO 2 5.181 4.538 0.337
26 HA 4FO 2 HA 4FO 2 4.921 5.106 -2.649
27 HB2 4FO 2 HB2 4FO 2 6.147 2.961 -2.281
28 HB3 4FO 2 HB3 4FO 2 7.151 4.251 -2.995
29 HG3 4FO 2 HG3 4FO 2 7.345 3.696 0.038
30 HG2 4FO 2 HG2 4FO 2 8.508 4.503 -1.073
31 HZ3 4FO 2 HZ3 4FO 2 8.030 1.592 -0.744
32 HZ2 4FO 2 HZ1 4FO 2 8.622 2.205 -2.251
33 HZ1 4FO 2 HZ2 4FO 2 9.458 2.484 -0.803
34 H GLY 3 H GLY 3 6.753 5.867 0.345
35 HA2 GLY 3 HA2 GLY 3 7.782 8.273 -0.959
36 HA3 GLY 3 HA3 GLY 3 6.704 8.504 0.410
37 H DSN 4 H DSN 4 9.338 6.186 -0.191
38 HA DSN 4 HA DSN 4 11.058 7.435 1.737
39 HB2 DSN 4 HB2 DSN 4 11.458 4.651 0.672
40 HB3 DSN 4 HB3 DSN 4 12.672 5.851 1.117
41 HG DSN 4 HG DSN 4 12.260 6.961 -0.735
42 H DTR 5 H DTR 5 9.146 7.238 3.338
43 HA DTR 5 HA DTR 5 9.889 5.392 5.335
44 HB2 DTR 5 HB2 DTR 5 8.242 3.770 5.298
45 HB3 DTR 5 HB3 DTR 5 8.509 4.014 3.574
46 HD1 DTR 5 HD1 DTR 5 6.746 6.415 2.871
47 HE1 DTR 5 HE1 DTR 5 4.185 6.342 3.114
48 HZ2 DTR 5 HZ2 DTR 5 2.256 4.864 4.549
49 HH2 DTR 5 HH2 DTR 5 2.112 3.028 6.175
50 HZ3 DTR 5 HZ3 DTR 5 4.121 1.920 7.013
51 HE3 DTR 5 HE3 DTR 5 6.360 2.604 6.256
52 H SER 6 H SER 6 7.823 5.253 6.982
53 HA SER 6 HA SER 6 6.292 7.686 7.068
54 HB2 SER 6 HB2 SER 6 5.152 6.744 8.861
55 HB3 SER 6 HB3 SER 6 5.681 5.307 7.987
56 HG SER 6 HG SER 6 6.642 4.766 9.764
57 H DAB 7 H DAB 7 7.158 9.540 7.570
58 HA DAB 7 HA DAB 7 8.477 9.953 10.191
59 HB2 DAB 7 HB2 DAB 7 10.438 11.270 9.022
60 HB3 DAB 7 HB3 DAB 7 10.019 10.322 7.570
61 HG2 DAB 7 HG2 DAB 7 10.845 8.304 8.418
62 HG3 DAB 7 HG3 DAB 7 10.685 8.776 10.147
63 HD1 DAB 7 HZ3 DAB 7 12.897 9.241 9.983
64 HD2 DAB 7 HZ2 DAB 7 12.871 9.063 8.308
65 HZ1 DAB 7 HZ1 DAB 7 12.511 10.585 8.961
66 H1 4FO 8 H 4FO 8 6.084 10.733 8.595
67 HA 4FO 8 HA 4FO 8 5.875 13.570 9.310
68 HB2 4FO 8 HB2 4FO 8 3.776 13.457 7.798
69 HB3 4FO 8 HB3 4FO 8 4.222 11.764 7.455
70 HG3 4FO 8 HG3 4FO 8 4.073 11.470 10.151
71 HG2 4FO 8 HG2 4FO 8 2.626 11.420 9.082
72 HZ3 4FO 8 HZ3 4FO 8 1.752 13.133 10.160
73 HZ2 4FO 8 HZ1 4FO 8 3.132 13.238 11.200
74 HZ1 4FO 8 HZ2 4FO 8 3.063 14.107 9.746
75 H PHE 9 H PHE 9 5.372 12.407 5.970
76 HA PHE 9 HA PHE 9 7.193 14.544 5.085
77 HB2 PHE 9 HB2 PHE 9 7.152 13.207 2.886
78 HB3 PHE 9 HB3 PHE 9 8.051 12.528 4.238
79 HD1 PHE 9 HD1 PHE 9 7.145 10.620 5.495
80 HD2 PHE 9 HD2 PHE 9 5.219 12.130 2.013
81 HE1 PHE 9 HE1 PHE 9 5.841 8.541 5.319
82 HE2 PHE 9 HE2 PHE 9 3.911 10.054 1.832
83 HZ PHE 9 HZ PHE 9 4.221 8.256 3.487
84 H GLU 10 H GLU 10 5.076 15.779 5.655
85 HA GLU 10 HA GLU 10 3.281 16.993 4.957
86 HB2 GLU 10 HB2 GLU 10 4.660 16.469 2.326
87 HB3 GLU 10 HB3 GLU 10 3.255 17.515 2.470
88 HG2 GLU 10 HG2 GLU 10 5.134 18.926 2.497
89 HG3 GLU 10 HG3 GLU 10 4.558 18.846 4.161
90 H VAL 11 H VAL 11 2.658 14.369 5.491
91 HA VAL 11 HA VAL 11 1.161 13.195 3.340
92 HB VAL 11 HB VAL 11 0.387 11.576 5.013
93 HG11 VAL 11 HG11 VAL 11 2.418 10.958 4.044
94 HG12 VAL 11 HG12 VAL 11 3.312 12.225 4.886
95 HG13 VAL 11 HG13 VAL 11 2.721 10.822 5.776
96 HG21 VAL 11 HG21 VAL 11 1.644 11.883 7.317
97 HG22 VAL 11 HG22 VAL 11 1.525 13.588 6.884
98 HG23 VAL 11 HG23 VAL 11 0.064 12.610 7.026
99 H20 28J 12 H 28J 12 -0.807 13.629 2.717
100 H21 28J 12 HA 28J 12 -3.084 14.328 2.735
101 H22 28J 12 HB 28J 12 -3.320 16.668 3.024
102 H23 28J 12 HG21 28J 12 -2.434 16.663 5.478
103 H24 28J 12 HG22 28J 12 -0.788 16.800 4.811
104 H25 28J 12 HG23 28J 12 -1.989 18.098 4.492
105 H26 28J 12 HG12 28J 12 -0.369 16.063 2.326
106 H27 28J 12 HG13 28J 12 -1.773 16.038 1.211
107 H28 28J 12 HD13 28J 12 -0.195 18.402 2.206
108 H29 28J 12 HD11 28J 12 -1.147 18.190 0.705
109 H30 28J 12 HD12 28J 12 -1.984 18.637 2.232
110 H ALA 13 H ALA 13 -4.548 15.881 4.390
111 HA ALA 13 HA ALA 13 -4.543 14.738 7.044
112 HB1 ALA 13 HB1 ALA 13 -6.213 16.266 7.576
113 HB2 ALA 13 HB2 ALA 13 -5.248 17.124 6.373
114 HB3 ALA 13 HB3 ALA 13 -6.777 16.379 5.909
Start of MODEL 5
1 H1 4N3 1 H DVA 1 0.871 2.164 -1.197
2 HA 4N3 1 HA DVA 1 3.302 1.995 0.417
3 HB 4N3 1 HB DVA 1 1.200 1.372 1.501
4 HG13 4N3 1 HG13 DVA 1 0.122 4.067 1.732
5 HG11 4N3 1 HG11 DVA 1 -0.693 2.548 1.361
6 HG12 4N3 1 HG12 DVA 1 0.106 3.456 0.076
7 HG22 4N3 1 HG22 DVA 1 1.571 2.490 3.521
8 HG23 4N3 1 HG23 DVA 1 2.057 3.980 2.713
9 HG21 4N3 1 HG21 DVA 1 3.125 2.578 2.693
10 HD2 4N3 1 HD2 DVA 1 1.214 -0.075 -2.765
11 HD1 4N3 1 HD1 DVA 1 2.932 -0.536 -2.836
12 HE1 4N3 1 HE1 DVA 1 1.308 -0.305 -0.253
13 HE2 4N3 1 HE2 DVA 1 1.627 -1.833 -1.106
14 HF2 4N3 1 HF2 DVA 1 3.789 0.063 -0.062
15 HF1 4N3 1 HF1 DVA 1 4.055 -1.525 -0.822
16 HH1 4N3 1 HH1 DVA 1 2.830 -2.633 1.020
17 HH2 4N3 1 HH2 DVA 1 2.496 -1.053 1.767
18 HI1 4N3 1 HI1 DVA 1 5.170 -0.819 1.585
19 HI2 4N3 1 HI2 DVA 1 4.405 -1.647 2.964
20 HJ1 4N3 1 HJ1 DVA 1 5.133 -3.190 0.452
21 HJ2 4N3 1 HJ2 DVA 1 4.903 -3.798 2.109
22 HK3 4N3 1 HK3 DVA 1 7.333 -2.740 0.828
23 HK2 4N3 1 HK2 DVA 1 7.167 -3.684 2.327
24 HK1 4N3 1 HK1 DVA 1 6.974 -1.915 2.364
25 H1 4FO 2 H 4FO 2 4.706 3.558 0.491
26 HA 4FO 2 HA 4FO 2 3.882 6.419 -0.168
27 HB2 4FO 2 HB2 4FO 2 5.757 5.225 -1.563
28 HB3 4FO 2 HB3 4FO 2 6.015 6.872 -0.926
29 HG3 4FO 2 HG3 4FO 2 7.231 4.317 0.362
30 HG2 4FO 2 HG2 4FO 2 7.469 6.021 0.891
31 HZ3 4FO 2 HZ3 4FO 2 8.985 6.405 -0.688
32 HZ2 4FO 2 HZ1 4FO 2 9.035 4.694 -0.953
33 HZ1 4FO 2 HZ2 4FO 2 8.054 5.700 -1.902
34 H GLY 3 H GLY 3 4.814 4.318 2.385
35 HA2 GLY 3 HA2 GLY 3 5.600 6.639 4.027
36 HA3 GLY 3 HA3 GLY 3 4.339 5.542 4.571
37 H DSN 4 H DSN 4 7.350 4.691 2.930
38 HA DSN 4 HA DSN 4 9.100 3.372 3.542
39 HB2 DSN 4 HB2 DSN 4 7.004 1.891 4.123
40 HB3 DSN 4 HB3 DSN 4 7.501 2.196 5.788
41 HG DSN 4 HG DSN 4 8.618 0.567 3.907
42 H DTR 5 H DTR 5 8.430 5.961 4.981
43 HA DTR 5 HA DTR 5 10.667 6.032 6.677
44 HB2 DTR 5 HB2 DTR 5 9.853 5.843 8.817
45 HB3 DTR 5 HB3 DTR 5 8.789 4.704 7.996
46 HD1 DTR 5 HD1 DTR 5 6.523 6.367 6.871
47 HE1 DTR 5 HE1 DTR 5 4.962 7.774 8.358
48 HZ2 DTR 5 HZ2 DTR 5 5.002 8.939 10.929
49 HH2 DTR 5 HH2 DTR 5 6.479 9.153 12.880
50 HZ3 DTR 5 HZ3 DTR 5 8.699 8.138 12.903
51 HE3 DTR 5 HE3 DTR 5 9.536 6.863 10.972
52 H SER 6 H SER 6 10.386 8.087 8.248
53 HA SER 6 HA SER 6 8.750 10.162 7.066
54 HB2 SER 6 HB2 SER 6 9.439 11.537 8.894
55 HB3 SER 6 HB3 SER 6 9.172 9.925 9.557
56 HG SER 6 HG SER 6 11.491 11.385 9.354
57 H DAB 7 H DAB 7 9.947 9.720 4.985
58 HA DAB 7 HA DAB 7 12.526 11.305 4.729
59 HB2 DAB 7 HB2 DAB 7 12.335 10.455 2.263
60 HB3 DAB 7 HB3 DAB 7 11.006 9.418 2.848
61 HG2 DAB 7 HG2 DAB 7 12.483 8.106 4.264
62 HG3 DAB 7 HG3 DAB 7 13.885 9.201 3.991
63 HD1 DAB 7 HZ3 DAB 7 13.749 8.518 1.568
64 HD2 DAB 7 HZ2 DAB 7 14.079 7.257 2.636
65 HZ1 DAB 7 HZ1 DAB 7 12.515 7.382 1.996
66 H1 4FO 8 H 4FO 8 9.867 12.469 5.336
67 HA 4FO 8 HA 4FO 8 9.858 14.815 3.621
68 HB2 4FO 8 HB2 4FO 8 7.908 15.499 4.784
69 HB3 4FO 8 HB3 4FO 8 7.323 13.823 4.962
70 HG3 4FO 8 HG3 4FO 8 9.789 14.747 6.580
71 HG2 4FO 8 HG2 4FO 8 8.665 13.370 6.863
72 HZ3 4FO 8 HZ3 4FO 8 7.510 14.673 8.217
73 HZ2 4FO 8 HZ1 4FO 8 8.391 16.093 7.762
74 HZ1 4FO 8 HZ2 4FO 8 7.034 15.585 6.882
75 H PHE 9 H PHE 9 8.015 11.762 3.410
76 HA PHE 9 HA PHE 9 7.730 11.945 0.628
77 HB2 PHE 9 HB2 PHE 9 6.236 10.059 0.805
78 HB3 PHE 9 HB3 PHE 9 7.543 9.844 1.964
79 HD1 PHE 9 HD1 PHE 9 7.112 10.390 4.385
80 HD2 PHE 9 HD2 PHE 9 4.001 10.093 1.494
81 HE1 PHE 9 HE1 PHE 9 5.465 10.106 6.191
82 HE2 PHE 9 HE2 PHE 9 2.350 9.810 3.296
83 HZ PHE 9 HZ PHE 9 3.080 9.816 5.648
84 H GLU 10 H GLU 10 5.109 11.428 0.010
85 HA GLU 10 HA GLU 10 4.004 14.076 0.027
86 HB2 GLU 10 HB2 GLU 10 3.041 11.453 -1.109
87 HB3 GLU 10 HB3 GLU 10 2.116 12.942 -1.241
88 HG2 GLU 10 HG2 GLU 10 4.940 12.699 -2.225
89 HG3 GLU 10 HG3 GLU 10 3.541 12.315 -3.226
90 H VAL 11 H VAL 11 4.037 13.754 2.558
91 HA VAL 11 HA VAL 11 2.042 12.276 3.840
92 HB VAL 11 HB VAL 11 2.357 13.706 5.752
93 HG11 VAL 11 HG11 VAL 11 4.261 12.595 6.023
94 HG12 VAL 11 HG12 VAL 11 4.532 12.541 4.280
95 HG13 VAL 11 HG13 VAL 11 5.097 13.923 5.218
96 HG21 VAL 11 HG21 VAL 11 3.252 15.641 3.701
97 HG22 VAL 11 HG22 VAL 11 2.339 15.904 5.187
98 HG23 VAL 11 HG23 VAL 11 4.087 15.682 5.254
99 H20 28J 12 H 28J 12 -0.054 12.508 4.168
100 H21 28J 12 HA 28J 12 -1.506 14.544 2.560
101 H22 28J 12 HB 28J 12 -1.178 15.800 4.661
102 H23 28J 12 HG21 28J 12 -3.311 16.147 3.390
103 H24 28J 12 HG22 28J 12 -4.091 14.795 4.249
104 H25 28J 12 HG23 28J 12 -3.623 16.274 5.156
105 H26 28J 12 HG12 28J 12 -2.636 14.741 6.699
106 H27 28J 12 HG13 28J 12 -2.173 13.205 5.899
107 H28 28J 12 HD13 28J 12 -0.575 14.148 7.792
108 H29 28J 12 HD11 28J 12 0.161 13.523 6.285
109 H30 28J 12 HD12 28J 12 -0.002 15.297 6.525
110 H ALA 13 H ALA 13 -3.574 14.060 2.090
111 HA ALA 13 HA ALA 13 -4.489 11.373 2.867
112 HB1 ALA 13 HB1 ALA 13 -6.357 12.504 3.353
113 HB2 ALA 13 HB2 ALA 13 -5.865 13.909 2.406
114 HB3 ALA 13 HB3 ALA 13 -6.624 12.530 1.609
Start of MODEL 6
1 H1 4N3 1 H DVA 1 3.198 0.548 3.203
2 HA 4N3 1 HA DVA 1 5.929 0.776 2.328
3 HB 4N3 1 HB DVA 1 5.260 0.771 4.736
4 HG13 4N3 1 HG13 DVA 1 3.310 2.424 4.170
5 HG11 4N3 1 HG11 DVA 1 4.537 3.654 4.477
6 HG12 4N3 1 HG12 DVA 1 4.115 2.495 5.739
7 HG22 4N3 1 HG22 DVA 1 7.387 1.513 4.685
8 HG23 4N3 1 HG23 DVA 1 6.657 3.058 5.118
9 HG21 4N3 1 HG21 DVA 1 7.048 2.709 3.434
10 HD2 4N3 1 HD2 DVA 1 1.762 -1.123 1.697
11 HD1 4N3 1 HD1 DVA 1 1.690 0.514 1.004
12 HE1 4N3 1 HE1 DVA 1 3.042 -1.706 -0.553
13 HE2 4N3 1 HE2 DVA 1 1.266 -1.594 -0.553
14 HF2 4N3 1 HF2 DVA 1 1.791 0.992 -1.061
15 HF1 4N3 1 HF1 DVA 1 1.747 -0.213 -2.371
16 HH1 4N3 1 HH1 DVA 1 4.316 -0.525 -1.751
17 HH2 4N3 1 HH2 DVA 1 4.134 1.106 -1.062
18 HI1 4N3 1 HI1 DVA 1 2.931 1.573 -3.418
19 HI2 4N3 1 HI2 DVA 1 4.701 1.667 -3.254
20 HJ1 4N3 1 HJ1 DVA 1 3.579 0.198 -5.192
21 HJ2 4N3 1 HJ2 DVA 1 3.460 -1.010 -3.889
22 HK3 4N3 1 HK3 DVA 1 5.667 -1.485 -4.090
23 HK2 4N3 1 HK2 DVA 1 6.084 0.221 -3.803
24 HK1 4N3 1 HK1 DVA 1 5.764 -0.351 -5.458
25 H1 4FO 2 H 4FO 2 6.909 2.358 1.268
26 HA 4FO 2 HA 4FO 2 5.282 4.595 0.055
27 HB2 4FO 2 HB2 4FO 2 6.704 3.534 -1.565
28 HB3 4FO 2 HB3 4FO 2 7.435 5.108 -1.150
29 HG3 4FO 2 HG3 4FO 2 8.493 2.311 -0.335
30 HG2 4FO 2 HG2 4FO 2 9.056 3.846 0.418
31 HZ3 4FO 2 HZ3 4FO 2 9.306 4.478 -2.196
32 HZ2 4FO 2 HZ1 4FO 2 10.562 3.756 -1.248
33 HZ1 4FO 2 HZ2 4FO 2 9.576 2.816 -2.258
34 H GLY 3 H GLY 3 8.108 4.163 2.224
35 HA2 GLY 3 HA2 GLY 3 7.934 7.050 2.800
36 HA3 GLY 3 HA3 GLY 3 7.922 5.880 4.110
37 H DSN 4 H DSN 4 9.806 7.009 4.906
38 HA DSN 4 HA DSN 4 12.261 6.239 3.467
39 HB2 DSN 4 HB2 DSN 4 13.348 5.971 5.654
40 HB3 DSN 4 HB3 DSN 4 11.938 4.920 5.521
41 HG DSN 4 HG DSN 4 12.206 6.209 7.527
42 H DTR 5 H DTR 5 10.619 8.681 5.362
43 HA DTR 5 HA DTR 5 12.767 10.580 4.679
44 HB2 DTR 5 HB2 DTR 5 12.633 11.584 6.739
45 HB3 DTR 5 HB3 DTR 5 12.195 9.939 7.191
46 HD1 DTR 5 HD1 DTR 5 9.223 9.708 6.693
47 HE1 DTR 5 HE1 DTR 5 7.491 11.204 7.871
48 HZ2 DTR 5 HZ2 DTR 5 7.424 13.709 9.171
49 HH2 DTR 5 HH2 DTR 5 8.917 15.566 9.769
50 HZ3 DTR 5 HZ3 DTR 5 11.287 15.521 9.182
51 HE3 DTR 5 HE3 DTR 5 12.263 13.614 7.972
52 H SER 6 H SER 6 11.735 12.950 5.010
53 HA SER 6 HA SER 6 9.054 13.112 3.906
54 HB2 SER 6 HB2 SER 6 9.240 14.813 5.430
55 HB3 SER 6 HB3 SER 6 10.970 15.017 5.152
56 HG SER 6 HG SER 6 8.851 16.280 3.979
57 H DAB 7 H DAB 7 9.265 12.274 1.864
58 HA DAB 7 HA DAB 7 10.780 13.995 -0.151
59 HB2 DAB 7 HB2 DAB 7 10.509 11.905 -1.680
60 HB3 DAB 7 HB3 DAB 7 10.016 11.022 -0.211
61 HG2 DAB 7 HG2 DAB 7 12.257 11.433 0.833
62 HG3 DAB 7 HG3 DAB 7 12.825 12.281 -0.649
63 HD1 DAB 7 HZ3 DAB 7 12.210 10.059 -1.831
64 HD2 DAB 7 HZ2 DAB 7 13.567 10.092 -0.833
65 HZ1 DAB 7 HZ1 DAB 7 12.149 9.377 -0.240
66 H1 4FO 8 H 4FO 8 7.762 13.179 1.112
67 HA 4FO 8 HA 4FO 8 6.312 14.077 -1.417
68 HB2 4FO 8 HB2 4FO 8 4.549 14.988 -0.013
69 HB3 4FO 8 HB3 4FO 8 5.214 14.187 1.436
70 HG3 4FO 8 HG3 4FO 8 5.547 16.892 0.904
71 HG2 4FO 8 HG2 4FO 8 7.043 16.223 0.161
72 HZ3 4FO 8 HZ3 4FO 8 7.950 15.791 2.141
73 HZ2 4FO 8 HZ1 4FO 8 6.687 16.738 2.853
74 HZ1 4FO 8 HZ2 4FO 8 6.556 15.052 2.732
75 H PHE 9 H PHE 9 5.389 12.263 1.552
76 HA PHE 9 HA PHE 9 4.234 10.236 -0.249
77 HB2 PHE 9 HB2 PHE 9 4.639 8.572 1.493
78 HB3 PHE 9 HB3 PHE 9 6.142 9.378 1.057
79 HD1 PHE 9 HD1 PHE 9 6.989 11.229 2.560
80 HD2 PHE 9 HD2 PHE 9 3.886 8.549 3.701
81 HE1 PHE 9 HE1 PHE 9 7.373 11.796 4.923
82 HE2 PHE 9 HE2 PHE 9 4.264 9.112 6.065
83 HZ PHE 9 HZ PHE 9 6.009 10.738 6.680
84 H GLU 10 H GLU 10 2.896 12.614 0.638
85 HA GLU 10 HA GLU 10 0.857 13.255 1.417
86 HB2 GLU 10 HB2 GLU 10 0.258 10.334 1.866
87 HB3 GLU 10 HB3 GLU 10 -0.887 11.637 1.579
88 HG2 GLU 10 HG2 GLU 10 0.224 11.891 -0.696
89 HG3 GLU 10 HG3 GLU 10 0.982 10.335 -0.368
90 H VAL 11 H VAL 11 2.458 13.884 3.229
91 HA VAL 11 HA VAL 11 2.321 12.433 5.686
92 HB VAL 11 HB VAL 11 3.334 14.492 6.680
93 HG11 VAL 11 HG11 VAL 11 4.935 12.960 6.050
94 HG12 VAL 11 HG12 VAL 11 4.517 13.066 4.339
95 HG13 VAL 11 HG13 VAL 11 5.417 14.373 5.111
96 HG21 VAL 11 HG21 VAL 11 3.151 16.445 5.642
97 HG22 VAL 11 HG22 VAL 11 4.088 15.817 4.287
98 HG23 VAL 11 HG23 VAL 11 2.331 15.661 4.292
99 H20 28J 12 H 28J 12 0.516 12.201 6.765
100 H21 28J 12 HA 28J 12 -1.626 14.299 6.658
101 H22 28J 12 HB 28J 12 -1.931 14.507 9.029
102 H23 28J 12 HG21 28J 12 -0.593 11.945 9.204
103 H24 28J 12 HG22 28J 12 0.431 13.086 10.112
104 H25 28J 12 HG23 28J 12 -1.303 12.908 10.545
105 H26 28J 12 HG12 28J 12 1.087 14.798 8.408
106 H27 28J 12 HG13 28J 12 -0.196 15.958 7.934
107 H28 28J 12 HD13 28J 12 -0.463 15.497 10.820
108 H29 28J 12 HD11 28J 12 1.255 15.835 10.451
109 H30 28J 12 HD12 28J 12 -0.009 17.010 9.948
110 H ALA 13 H ALA 13 -3.572 13.515 7.926
111 HA ALA 13 HA ALA 13 -3.941 10.631 7.763
112 HB1 ALA 13 HB1 ALA 13 -4.802 11.892 9.706
113 HB2 ALA 13 HB2 ALA 13 -5.905 12.749 8.628
114 HB3 ALA 13 HB3 ALA 13 -6.062 11.006 8.847
Start of MODEL 7
1 H1 4N3 1 H DVA 1 0.457 1.180 3.351
2 HA 4N3 1 HA DVA 1 3.054 1.256 4.503
3 HB 4N3 1 HB DVA 1 1.123 2.615 5.309
4 HG13 4N3 1 HG13 DVA 1 0.513 4.652 4.175
5 HG11 4N3 1 HG11 DVA 1 0.314 3.292 3.069
6 HG12 4N3 1 HG12 DVA 1 1.715 4.354 2.917
7 HG22 4N3 1 HG22 DVA 1 2.459 4.321 6.119
8 HG23 4N3 1 HG23 DVA 1 3.338 4.495 4.601
9 HG21 4N3 1 HG21 DVA 1 3.652 3.112 5.648
10 HD2 4N3 1 HD2 DVA 1 1.841 -1.610 4.573
11 HD1 4N3 1 HD1 DVA 1 0.179 -1.358 3.988
12 HE1 4N3 1 HE1 DVA 1 0.475 -2.851 2.156
13 HE2 4N3 1 HE2 DVA 1 2.249 -2.784 2.274
14 HF2 4N3 1 HF2 DVA 1 0.273 -4.325 3.962
15 HF1 4N3 1 HF1 DVA 1 1.790 -3.774 4.715
16 HH1 4N3 1 HH1 DVA 1 1.952 -5.112 2.018
17 HH2 4N3 1 HH2 DVA 1 1.645 -6.136 3.441
18 HI1 4N3 1 HI1 DVA 1 3.985 -4.202 3.066
19 HI2 4N3 1 HI2 DVA 1 3.654 -5.111 4.560
20 HJ1 4N3 1 HJ1 DVA 1 5.341 -6.101 2.767
21 HJ2 4N3 1 HJ2 DVA 1 3.852 -6.593 1.927
22 HK3 4N3 1 HK3 DVA 1 3.105 -7.883 3.837
23 HK2 4N3 1 HK2 DVA 1 4.395 -7.217 4.867
24 HK1 4N3 1 HK1 DVA 1 4.801 -8.335 3.542
25 H1 4FO 2 H 4FO 2 4.831 2.532 3.960
26 HA 4FO 2 HA 4FO 2 4.968 3.663 1.148
27 HB2 4FO 2 HB2 4FO 2 6.052 1.292 1.316
28 HB3 4FO 2 HB3 4FO 2 6.973 2.641 0.599
29 HG3 4FO 2 HG3 4FO 2 7.905 0.851 2.635
30 HG2 4FO 2 HG2 4FO 2 7.579 2.403 3.486
31 HZ3 4FO 2 HZ3 4FO 2 9.025 2.698 0.945
32 HZ2 4FO 2 HZ1 4FO 2 9.284 3.438 2.489
33 HZ1 4FO 2 HZ2 4FO 2 9.837 1.868 2.166
34 H GLY 3 H GLY 3 7.633 4.480 1.279
35 HA2 GLY 3 HA2 GLY 3 7.790 6.945 1.992
36 HA3 GLY 3 HA3 GLY 3 7.671 6.276 3.613
37 H DSN 4 H DSN 4 9.436 5.292 4.542
38 HA DSN 4 HA DSN 4 11.933 5.404 2.978
39 HB2 DSN 4 HB2 DSN 4 11.229 3.101 3.612
40 HB3 DSN 4 HB3 DSN 4 11.316 3.573 5.309
41 HG DSN 4 HG DSN 4 13.244 2.561 4.031
42 H DTR 5 H DTR 5 10.665 7.519 4.593
43 HA DTR 5 HA DTR 5 12.992 8.406 5.969
44 HB2 DTR 5 HB2 DTR 5 12.402 8.222 8.194
45 HB3 DTR 5 HB3 DTR 5 11.728 6.726 7.553
46 HD1 DTR 5 HD1 DTR 5 8.989 7.531 6.463
47 HE1 DTR 5 HE1 DTR 5 7.135 8.466 7.985
48 HZ2 DTR 5 HZ2 DTR 5 6.926 9.734 10.498
49 HH2 DTR 5 HH2 DTR 5 8.349 10.511 12.343
50 HZ3 DTR 5 HZ3 DTR 5 10.774 10.241 12.270
51 HE3 DTR 5 HE3 DTR 5 11.879 9.179 10.345
52 H SER 6 H SER 6 12.188 10.403 7.483
53 HA SER 6 HA SER 6 9.948 11.829 6.368
54 HB2 SER 6 HB2 SER 6 10.271 13.389 8.064
55 HB3 SER 6 HB3 SER 6 10.916 11.922 8.800
56 HG SER 6 HG SER 6 12.169 14.230 8.299
57 H DAB 7 H DAB 7 10.032 12.717 4.459
58 HA DAB 7 HA DAB 7 12.283 14.609 3.781
59 HB2 DAB 7 HB2 DAB 7 12.187 13.763 1.343
60 HB3 DAB 7 HB3 DAB 7 11.256 12.367 1.949
61 HG2 DAB 7 HG2 DAB 7 13.119 11.421 3.110
62 HG3 DAB 7 HG3 DAB 7 14.112 12.919 3.012
63 HD1 DAB 7 HZ3 DAB 7 14.764 11.133 1.400
64 HD2 DAB 7 HZ2 DAB 7 13.229 11.193 0.708
65 HZ1 DAB 7 HZ1 DAB 7 14.234 12.549 0.555
66 H1 4FO 8 H 4FO 8 9.325 14.548 4.612
67 HA 4FO 8 HA 4FO 8 8.359 16.834 3.046
68 HB2 4FO 8 HB2 4FO 8 6.170 16.405 4.216
69 HB3 4FO 8 HB3 4FO 8 6.805 14.843 4.797
70 HG3 4FO 8 HG3 4FO 8 8.570 16.119 6.189
71 HG2 4FO 8 HG2 4FO 8 6.850 16.362 6.659
72 HZ3 4FO 8 HZ3 4FO 8 6.790 18.513 5.745
73 HZ2 4FO 8 HZ1 4FO 8 8.347 18.436 6.498
74 HZ1 4FO 8 HZ2 4FO 8 8.177 18.275 4.819
75 H PHE 9 H PHE 9 6.720 13.644 3.253
76 HA PHE 9 HA PHE 9 6.015 14.007 0.419
77 HB2 PHE 9 HB2 PHE 9 6.293 11.636 0.018
78 HB3 PHE 9 HB3 PHE 9 7.787 12.281 0.690
79 HD1 PHE 9 HD1 PHE 9 8.152 11.999 3.213
80 HD2 PHE 9 HD2 PHE 9 5.270 9.796 0.985
81 HE1 PHE 9 HE1 PHE 9 8.093 10.292 4.983
82 HE2 PHE 9 HE2 PHE 9 5.206 8.086 2.753
83 HZ PHE 9 HZ PHE 9 6.618 8.333 4.755
84 H GLU 10 H GLU 10 4.514 14.694 2.799
85 HA GLU 10 HA GLU 10 2.376 14.581 3.568
86 HB2 GLU 10 HB2 GLU 10 2.006 14.371 1.016
87 HB3 GLU 10 HB3 GLU 10 1.712 12.669 1.347
88 HG2 GLU 10 HG2 GLU 10 0.016 13.551 3.088
89 HG3 GLU 10 HG3 GLU 10 0.121 15.055 2.176
90 H VAL 11 H VAL 11 3.877 13.143 5.085
91 HA VAL 11 HA VAL 11 2.869 10.398 5.207
92 HB VAL 11 HB VAL 11 5.317 10.805 5.419
93 HG11 VAL 11 HG11 VAL 11 6.274 11.972 7.164
94 HG12 VAL 11 HG12 VAL 11 4.842 12.946 6.826
95 HG13 VAL 11 HG13 VAL 11 4.845 11.823 8.187
96 HG21 VAL 11 HG21 VAL 11 4.750 9.715 8.058
97 HG22 VAL 11 HG22 VAL 11 3.714 9.042 6.799
98 HG23 VAL 11 HG23 VAL 11 5.468 8.942 6.645
99 H20 28J 12 H 28J 12 1.766 9.548 6.900
100 H21 28J 12 HA 28J 12 -0.126 11.289 8.222
101 H22 28J 12 HB 28J 12 1.670 11.933 9.723
102 H23 28J 12 HG21 28J 12 -0.542 11.660 10.812
103 H24 28J 12 HG22 28J 12 -0.295 9.909 11.022
104 H25 28J 12 HG23 28J 12 0.719 11.067 11.947
105 H26 28J 12 HG12 28J 12 3.140 9.903 9.236
106 H27 28J 12 HG13 28J 12 3.083 10.429 10.949
107 H28 28J 12 HD13 28J 12 2.450 8.322 11.596
108 H29 28J 12 HD11 28J 12 0.973 8.441 10.593
109 H30 28J 12 HD12 28J 12 2.485 7.788 9.873
110 H ALA 13 H ALA 13 -1.794 10.281 9.146
111 HA ALA 13 HA ALA 13 -1.858 7.457 9.600
112 HB1 ALA 13 HB1 ALA 13 -4.486 8.536 9.315
113 HB2 ALA 13 HB2 ALA 13 -3.657 7.999 10.777
114 HB3 ALA 13 HB3 ALA 13 -3.490 9.668 10.231
Start of MODEL 8
1 H1 4N3 1 H DVA 1 2.016 -1.157 4.484
2 HA 4N3 1 HA DVA 1 4.461 0.280 4.056
3 HB 4N3 1 HB DVA 1 3.855 -0.474 6.297
4 HG13 4N3 1 HG13 DVA 1 1.435 -0.275 6.124
5 HG11 4N3 1 HG11 DVA 1 1.570 1.483 6.079
6 HG12 4N3 1 HG12 DVA 1 2.034 0.600 7.535
7 HG22 4N3 1 HG22 DVA 1 4.327 1.586 7.509
8 HG23 4N3 1 HG23 DVA 1 3.888 2.536 6.089
9 HG21 4N3 1 HG21 DVA 1 5.304 1.486 6.044
10 HD2 4N3 1 HD2 DVA 1 0.811 -1.809 2.110
11 HD1 4N3 1 HD1 DVA 1 1.151 -0.097 1.765
12 HE1 4N3 1 HE1 DVA 1 2.403 -0.615 -0.185
13 HE2 4N3 1 HE2 DVA 1 2.664 -2.301 0.319
14 HF2 4N3 1 HF2 DVA 1 0.872 -1.801 -1.546
15 HF1 4N3 1 HF1 DVA 1 -0.148 -1.276 -0.184
16 HH1 4N3 1 HH1 DVA 1 -0.702 -3.549 -0.288
17 HH2 4N3 1 HH2 DVA 1 0.639 -3.590 0.880
18 HI1 4N3 1 HI1 DVA 1 2.121 -3.840 -1.328
19 HI2 4N3 1 HI2 DVA 1 1.322 -5.261 -0.612
20 HJ1 4N3 1 HJ1 DVA 1 0.275 -3.558 -2.926
21 HJ2 4N3 1 HJ2 DVA 1 -0.630 -4.885 -2.159
22 HK3 4N3 1 HK3 DVA 1 1.049 -6.512 -2.830
23 HK2 4N3 1 HK2 DVA 1 2.141 -5.228 -3.401
24 HK1 4N3 1 HK1 DVA 1 0.623 -5.558 -4.271
25 H1 4FO 2 H 4FO 2 4.792 2.255 3.343
26 HA 4FO 2 HA 4FO 2 2.423 4.135 2.936
27 HB2 4FO 2 HB2 4FO 2 3.250 3.512 0.729
28 HB3 4FO 2 HB3 4FO 2 3.734 5.186 1.114
29 HG3 4FO 2 HG3 4FO 2 5.636 2.729 1.107
30 HG2 4FO 2 HG2 4FO 2 6.077 4.390 1.642
31 HZ3 4FO 2 HZ3 4FO 2 5.013 4.912 -0.797
32 HZ2 4FO 2 HZ1 4FO 2 6.693 4.613 -0.503
33 HZ1 4FO 2 HZ2 4FO 2 5.667 3.381 -1.054
34 H GLY 3 H GLY 3 5.584 3.671 4.337
35 HA2 GLY 3 HA2 GLY 3 6.311 6.377 4.655
36 HA3 GLY 3 HA3 GLY 3 5.335 5.884 6.031
37 H DSN 4 H DSN 4 6.420 5.136 7.716
38 HA DSN 4 HA DSN 4 8.931 3.684 7.258
39 HB2 DSN 4 HB2 DSN 4 7.102 2.569 8.572
40 HB3 DSN 4 HB3 DSN 4 7.302 3.815 9.805
41 HG DSN 4 HG DSN 4 9.478 2.252 8.912
42 H DTR 5 H DTR 5 8.479 6.670 7.316
43 HA DTR 5 HA DTR 5 10.875 7.392 8.590
44 HB2 DTR 5 HB2 DTR 5 10.272 8.322 10.604
45 HB3 DTR 5 HB3 DTR 5 9.105 7.004 10.525
46 HD1 DTR 5 HD1 DTR 5 6.780 8.068 8.903
47 HE1 DTR 5 HE1 DTR 5 5.408 10.124 9.624
48 HZ2 DTR 5 HZ2 DTR 5 5.731 12.382 11.286
49 HH2 DTR 5 HH2 DTR 5 7.398 13.412 12.768
50 HZ3 DTR 5 HZ3 DTR 5 9.584 12.383 13.119
51 HE3 DTR 5 HE3 DTR 5 10.194 10.277 12.002
52 H SER 6 H SER 6 10.799 9.967 8.979
53 HA SER 6 HA SER 6 9.116 11.313 7.042
54 HB2 SER 6 HB2 SER 6 10.005 13.356 7.920
55 HB3 SER 6 HB3 SER 6 9.718 12.292 9.296
56 HG SER 6 HG SER 6 11.747 12.515 9.742
57 H DAB 7 H DAB 7 10.061 9.931 5.319
58 HA DAB 7 HA DAB 7 12.681 10.990 4.199
59 HB2 DAB 7 HB2 DAB 7 12.372 9.119 2.486
60 HB3 DAB 7 HB3 DAB 7 10.904 8.624 3.370
61 HG2 DAB 7 HG2 DAB 7 12.238 8.009 5.373
62 HG3 DAB 7 HG3 DAB 7 13.770 8.509 4.571
63 HD1 DAB 7 HZ3 DAB 7 13.787 6.309 3.967
64 HD2 DAB 7 HZ2 DAB 7 12.147 6.111 4.299
65 HZ1 DAB 7 HZ1 DAB 7 12.594 6.726 2.783
66 H1 4FO 8 H 4FO 8 10.114 12.489 4.360
67 HA 4FO 8 HA 4FO 8 10.048 13.791 1.765
68 HB2 4FO 8 HB2 4FO 8 8.213 15.050 2.586
69 HB3 4FO 8 HB3 4FO 8 7.593 13.679 3.546
70 HG3 4FO 8 HG3 4FO 8 8.824 15.887 4.683
71 HG2 4FO 8 HG2 4FO 8 10.242 14.799 4.474
72 HZ3 4FO 8 HZ3 4FO 8 8.679 14.669 6.622
73 HZ2 4FO 8 HZ1 4FO 8 7.894 13.481 5.638
74 HZ1 4FO 8 HZ2 4FO 8 9.548 13.369 5.994
75 H PHE 9 H PHE 9 8.105 11.094 3.069
76 HA PHE 9 HA PHE 9 7.612 10.017 0.529
77 HB2 PHE 9 HB2 PHE 9 6.089 8.504 1.625
78 HB3 PHE 9 HB3 PHE 9 7.466 8.768 2.691
79 HD1 PHE 9 HD1 PHE 9 7.214 10.391 4.605
80 HD2 PHE 9 HD2 PHE 9 3.910 8.961 2.334
81 HE1 PHE 9 HE1 PHE 9 5.686 11.052 6.417
82 HE2 PHE 9 HE2 PHE 9 2.377 9.621 4.142
83 HZ PHE 9 HZ PHE 9 3.264 10.668 6.187
84 H GLU 10 H GLU 10 4.935 9.437 0.363
85 HA GLU 10 HA GLU 10 3.914 11.870 -0.765
86 HB2 GLU 10 HB2 GLU 10 2.989 9.028 -0.642
87 HB3 GLU 10 HB3 GLU 10 1.843 10.282 -1.095
88 HG2 GLU 10 HG2 GLU 10 2.849 9.238 -3.048
89 HG3 GLU 10 HG3 GLU 10 3.265 10.948 -2.944
90 H VAL 11 H VAL 11 4.129 12.713 1.637
91 HA VAL 11 HA VAL 11 2.209 12.094 3.562
92 HB VAL 11 HB VAL 11 2.684 14.226 4.577
93 HG11 VAL 11 HG11 VAL 11 4.582 13.262 5.215
94 HG12 VAL 11 HG12 VAL 11 4.733 12.421 3.671
95 HG13 VAL 11 HG13 VAL 11 5.379 14.052 3.855
96 HG21 VAL 11 HG21 VAL 11 4.382 15.691 3.152
97 HG22 VAL 11 HG22 VAL 11 3.495 14.956 1.817
98 HG23 VAL 11 HG23 VAL 11 2.635 15.901 3.033
99 H20 28J 12 H 28J 12 0.218 12.855 4.082
100 H21 28J 12 HA 28J 12 -1.442 13.721 1.773
101 H22 28J 12 HB 28J 12 -0.560 15.876 2.926
102 H23 28J 12 HG21 28J 12 -3.411 16.408 3.097
103 H24 28J 12 HG22 28J 12 -2.322 16.714 1.721
104 H25 28J 12 HG23 28J 12 -3.194 15.147 1.835
105 H26 28J 12 HG12 28J 12 -2.696 15.193 5.045
106 H27 28J 12 HG13 28J 12 -0.953 14.841 5.277
107 H28 28J 12 HD13 28J 12 -0.961 16.967 6.242
108 H29 28J 12 HD11 28J 12 -0.730 17.485 4.544
109 H30 28J 12 HD12 28J 12 -2.375 17.526 5.271
110 H ALA 13 H ALA 13 -3.492 13.154 1.859
111 HA ALA 13 HA ALA 13 -4.632 12.009 4.265
112 HB1 ALA 13 HB1 ALA 13 -5.637 12.837 1.619
113 HB2 ALA 13 HB2 ALA 13 -6.481 11.491 2.385
114 HB3 ALA 13 HB3 ALA 13 -6.347 13.038 3.220
Start of MODEL 9
1 H1 4N3 1 H DVA 1 0.702 0.307 2.605
2 HA 4N3 1 HA DVA 1 3.333 0.432 2.301
3 HB 4N3 1 HB DVA 1 2.215 1.102 4.379
4 HG13 4N3 1 HG13 DVA 1 1.951 3.919 3.819
5 HG11 4N3 1 HG11 DVA 1 0.779 2.794 4.506
6 HG12 4N3 1 HG12 DVA 1 0.920 2.961 2.755
7 HG22 4N3 1 HG22 DVA 1 3.964 2.361 5.155
8 HG23 4N3 1 HG23 DVA 1 3.973 3.419 3.744
9 HG21 4N3 1 HG21 DVA 1 4.646 1.793 3.632
10 HD2 4N3 1 HD2 DVA 1 2.245 -0.898 -0.488
11 HD1 4N3 1 HD1 DVA 1 1.289 -1.693 0.785
12 HE1 4N3 1 HE1 DVA 1 -0.796 -1.065 -0.617
13 HE2 4N3 1 HE2 DVA 1 0.341 -0.688 -1.933
14 HF2 4N3 1 HF2 DVA 1 1.315 -3.106 -1.329
15 HF1 4N3 1 HF1 DVA 1 -0.102 -2.939 -2.394
16 HH1 4N3 1 HH1 DVA 1 -1.600 -3.641 -0.739
17 HH2 4N3 1 HH2 DVA 1 -0.545 -3.106 0.590
18 HI1 4N3 1 HI1 DVA 1 1.091 -4.974 -0.297
19 HI2 4N3 1 HI2 DVA 1 -0.319 -5.458 0.677
20 HJ1 4N3 1 HJ1 DVA 1 0.166 -6.712 -1.598
21 HJ2 4N3 1 HJ2 DVA 1 -0.558 -5.265 -2.340
22 HK3 4N3 1 HK3 DVA 1 -1.961 -6.684 -0.051
23 HK2 4N3 1 HK2 DVA 1 -2.130 -7.282 -1.718
24 HK1 4N3 1 HK1 DVA 1 -2.658 -5.632 -1.307
25 H1 4FO 2 H 4FO 2 4.930 1.659 1.471
26 HA 4FO 2 HA 4FO 2 4.170 3.856 -0.498
27 HB2 4FO 2 HB2 4FO 2 5.401 2.119 -1.652
28 HB3 4FO 2 HB3 4FO 2 6.470 3.528 -1.414
29 HG3 4FO 2 HG3 4FO 2 6.684 1.138 0.530
30 HG2 4FO 2 HG2 4FO 2 7.877 2.424 0.131
31 HZ3 4FO 2 HZ3 4FO 2 7.837 -0.074 -0.999
32 HZ2 4FO 2 HZ1 4FO 2 7.195 0.945 -2.243
33 HZ1 4FO 2 HZ2 4FO 2 8.692 1.282 -1.520
34 H GLY 3 H GLY 3 6.059 3.132 2.400
35 HA2 GLY 3 HA2 GLY 3 6.659 6.017 2.553
36 HA3 GLY 3 HA3 GLY 3 6.412 4.973 3.945
37 H DSN 4 H DSN 4 8.085 3.682 4.684
38 HA DSN 4 HA DSN 4 10.640 3.800 3.271
39 HB2 DSN 4 HB2 DSN 4 9.465 2.033 5.365
40 HB3 DSN 4 HB3 DSN 4 11.217 2.225 5.344
41 HG DSN 4 HG DSN 4 11.326 1.149 3.521
42 H DTR 5 H DTR 5 9.319 4.441 6.509
43 HA DTR 5 HA DTR 5 11.756 5.768 7.332
44 HB2 DTR 5 HB2 DTR 5 10.920 5.703 9.475
45 HB3 DTR 5 HB3 DTR 5 10.042 4.352 8.764
46 HD1 DTR 5 HD1 DTR 5 7.610 5.589 7.433
47 HE1 DTR 5 HE1 DTR 5 5.831 6.903 8.750
48 HZ2 DTR 5 HZ2 DTR 5 5.637 8.290 11.200
49 HH2 DTR 5 HH2 DTR 5 7.010 8.876 13.151
50 HZ3 DTR 5 HZ3 DTR 5 9.343 8.173 13.312
51 HE3 DTR 5 HE3 DTR 5 10.400 6.852 11.526
52 H SER 6 H SER 6 11.167 7.911 8.709
53 HA SER 6 HA SER 6 9.320 9.647 7.321
54 HB2 SER 6 HB2 SER 6 9.771 11.244 9.014
55 HB3 SER 6 HB3 SER 6 9.800 9.684 9.835
56 HG SER 6 HG SER 6 11.595 10.834 10.477
57 H DAB 7 H DAB 7 9.896 10.216 5.348
58 HA DAB 7 HA DAB 7 12.575 11.620 4.960
59 HB2 DAB 7 HB2 DAB 7 12.936 10.633 2.906
60 HB3 DAB 7 HB3 DAB 7 11.193 10.599 2.522
61 HG2 DAB 7 HG2 DAB 7 12.002 8.593 4.607
62 HG3 DAB 7 HG3 DAB 7 12.749 8.314 2.993
63 HD1 DAB 7 HZ3 DAB 7 10.553 8.123 2.029
64 HD2 DAB 7 HZ2 DAB 7 10.552 7.217 3.450
65 HZ1 DAB 7 HZ1 DAB 7 9.781 8.727 3.457
66 H1 4FO 8 H 4FO 8 9.324 12.027 5.317
67 HA 4FO 8 HA 4FO 8 9.284 14.742 4.070
68 HB2 4FO 8 HB2 4FO 8 7.295 15.107 5.245
69 HB3 4FO 8 HB3 4FO 8 6.759 13.417 5.043
70 HG3 4FO 8 HG3 4FO 8 7.475 14.421 7.489
71 HG2 4FO 8 HG2 4FO 8 9.098 13.887 6.925
72 HZ3 4FO 8 HZ3 4FO 8 8.600 11.746 7.227
73 HZ2 4FO 8 HZ1 4FO 8 7.172 12.254 8.064
74 HZ1 4FO 8 HZ2 4FO 8 7.131 11.872 6.412
75 H PHE 9 H PHE 9 8.108 11.511 3.262
76 HA PHE 9 HA PHE 9 7.781 12.160 0.552
77 HB2 PHE 9 HB2 PHE 9 6.883 9.961 0.276
78 HB3 PHE 9 HB3 PHE 9 8.133 9.856 1.511
79 HD1 PHE 9 HD1 PHE 9 7.338 9.999 3.966
80 HD2 PHE 9 HD2 PHE 9 4.781 9.097 0.686
81 HE1 PHE 9 HE1 PHE 9 5.725 8.966 5.512
82 HE2 PHE 9 HE2 PHE 9 3.164 8.064 2.225
83 HZ PHE 9 HZ PHE 9 3.635 7.998 4.642
84 H GLU 10 H GLU 10 5.331 11.034 -0.178
85 HA GLU 10 HA GLU 10 3.623 13.292 0.072
86 HB2 GLU 10 HB2 GLU 10 3.200 10.540 -1.091
87 HB3 GLU 10 HB3 GLU 10 1.967 11.792 -1.129
88 HG2 GLU 10 HG2 GLU 10 3.396 13.219 -2.448
89 HG3 GLU 10 HG3 GLU 10 4.712 12.052 -2.334
90 H VAL 11 H VAL 11 3.525 13.335 2.442
91 HA VAL 11 HA VAL 11 1.321 11.648 3.418
92 HB VAL 11 HB VAL 11 3.229 10.701 4.468
93 HG11 VAL 11 HG11 VAL 11 4.826 12.099 5.780
94 HG12 VAL 11 HG12 VAL 11 4.881 12.379 4.039
95 HG13 VAL 11 HG13 VAL 11 4.058 13.530 5.092
96 HG21 VAL 11 HG21 VAL 11 2.710 10.954 6.748
97 HG22 VAL 11 HG22 VAL 11 2.198 12.628 6.532
98 HG23 VAL 11 HG23 VAL 11 1.209 11.315 5.894
99 H20 28J 12 H 28J 12 -0.239 12.629 4.526
100 H21 28J 12 HA 28J 12 -0.522 15.509 4.280
101 H22 28J 12 HB 28J 12 1.064 15.410 6.263
102 H23 28J 12 HG21 28J 12 -1.505 16.579 7.393
103 H24 28J 12 HG22 28J 12 0.086 17.341 7.143
104 H25 28J 12 HG23 28J 12 -1.034 17.141 5.752
105 H26 28J 12 HG12 28J 12 -1.315 14.363 7.908
106 H27 28J 12 HG13 28J 12 -0.145 13.238 7.145
107 H28 28J 12 HD13 28J 12 1.414 15.297 8.536
108 H29 28J 12 HD11 28J 12 0.149 14.690 9.648
109 H30 28J 12 HD12 28J 12 1.295 13.532 8.888
110 H ALA 13 H ALA 13 -2.518 16.229 4.513
111 HA ALA 13 HA ALA 13 -4.568 14.201 5.129
112 HB1 ALA 13 HB1 ALA 13 -4.419 16.179 6.693
113 HB2 ALA 13 HB2 ALA 13 -4.971 17.174 5.345
114 HB3 ALA 13 HB3 ALA 13 -5.999 15.884 5.968
Start of MODEL 10
1 H1 4N3 1 H DVA 1 -1.069 1.970 1.055
2 HA 4N3 1 HA DVA 1 0.785 1.478 2.963
3 HB 4N3 1 HB DVA 1 -1.085 2.952 3.390
4 HG13 4N3 1 HG13 DVA 1 0.316 4.782 1.463
5 HG11 4N3 1 HG11 DVA 1 -0.869 5.376 2.626
6 HG12 4N3 1 HG12 DVA 1 -1.345 4.188 1.412
7 HG22 4N3 1 HG22 DVA 1 0.050 4.696 4.696
8 HG23 4N3 1 HG23 DVA 1 1.554 4.343 3.846
9 HG21 4N3 1 HG21 DVA 1 0.822 3.122 4.888
10 HD2 4N3 1 HD2 DVA 1 1.903 -0.505 -0.213
11 HD1 4N3 1 HD1 DVA 1 2.031 0.209 1.412
12 HE1 4N3 1 HE1 DVA 1 0.127 -0.966 2.208
13 HE2 4N3 1 HE2 DVA 1 -0.479 -1.280 0.566
14 HF2 4N3 1 HF2 DVA 1 1.761 -2.635 0.268
15 HF1 4N3 1 HF1 DVA 1 0.429 -3.375 1.189
16 HH1 4N3 1 HH1 DVA 1 1.494 -3.058 3.249
17 HH2 4N3 1 HH2 DVA 1 2.441 -1.670 2.663
18 HI1 4N3 1 HI1 DVA 1 3.573 -3.448 1.074
19 HI2 4N3 1 HI2 DVA 1 4.072 -3.375 2.782
20 HJ1 4N3 1 HJ1 DVA 1 2.063 -5.115 3.089
21 HJ2 4N3 1 HJ2 DVA 1 3.672 -5.667 2.565
22 HK3 4N3 1 HK3 DVA 1 2.490 -6.631 0.844
23 HK2 4N3 1 HK2 DVA 1 2.568 -4.995 0.146
24 HK1 4N3 1 HK1 DVA 1 1.113 -5.517 1.030
25 H1 4FO 2 H 4FO 2 2.796 2.064 3.533
26 HA 4FO 2 HA 4FO 2 4.374 3.933 1.725
27 HB2 4FO 2 HB2 4FO 2 5.160 1.728 1.078
28 HB3 4FO 2 HB3 4FO 2 6.385 2.520 2.106
29 HG3 4FO 2 HG3 4FO 2 4.477 0.295 3.144
30 HG2 4FO 2 HG2 4FO 2 5.823 1.094 4.033
31 HZ3 4FO 2 HZ3 4FO 2 6.000 -1.124 2.255
32 HZ2 4FO 2 HZ1 4FO 2 7.011 0.167 1.697
33 HZ1 4FO 2 HZ2 4FO 2 7.149 -0.434 3.277
34 H GLY 3 H GLY 3 4.460 2.245 4.913
35 HA2 GLY 3 HA2 GLY 3 5.362 4.815 6.045
36 HA3 GLY 3 HA3 GLY 3 4.478 3.582 6.932
37 H DSN 4 H DSN 4 5.684 2.567 8.373
38 HA DSN 4 HA DSN 4 8.400 1.759 7.642
39 HB2 DSN 4 HB2 DSN 4 6.846 0.024 8.486
40 HB3 DSN 4 HB3 DSN 4 6.710 0.907 10.006
41 HG DSN 4 HG DSN 4 8.296 -0.868 9.910
42 H DTR 5 H DTR 5 7.840 4.507 8.301
43 HA DTR 5 HA DTR 5 9.975 5.021 10.059
44 HB2 DTR 5 HB2 DTR 5 9.032 5.466 12.085
45 HB3 DTR 5 HB3 DTR 5 7.850 4.284 11.529
46 HD1 DTR 5 HD1 DTR 5 5.812 5.728 9.910
47 HE1 DTR 5 HE1 DTR 5 4.443 7.726 10.779
48 HZ2 DTR 5 HZ2 DTR 5 4.643 9.682 12.805
49 HH2 DTR 5 HH2 DTR 5 6.149 10.374 14.618
50 HZ3 DTR 5 HZ3 DTR 5 8.231 9.177 15.058
51 HE3 DTR 5 HE3 DTR 5 8.893 7.233 13.701
52 H SER 6 H SER 6 9.836 7.461 10.814
53 HA SER 6 HA SER 6 8.458 9.088 8.813
54 HB2 SER 6 HB2 SER 6 9.767 9.699 11.452
55 HB3 SER 6 HB3 SER 6 9.403 10.987 10.303
56 HG SER 6 HG SER 6 7.236 10.449 10.424
57 H DAB 7 H DAB 7 9.474 9.384 6.987
58 HA DAB 7 HA DAB 7 12.240 10.563 6.992
59 HB2 DAB 7 HB2 DAB 7 12.901 9.073 5.010
60 HB3 DAB 7 HB3 DAB 7 11.449 8.091 5.345
61 HG2 DAB 7 HG2 DAB 7 12.349 7.396 7.554
62 HG3 DAB 7 HG3 DAB 7 13.837 8.380 7.317
63 HD1 DAB 7 HZ3 DAB 7 14.560 6.891 5.618
64 HD2 DAB 7 HZ2 DAB 7 13.878 5.894 6.792
65 HZ1 DAB 7 HZ1 DAB 7 12.984 6.212 5.387
66 H1 4FO 8 H 4FO 8 9.341 11.292 6.479
67 HA 4FO 8 HA 4FO 8 9.716 13.017 4.106
68 HB2 4FO 8 HB2 4FO 8 7.203 13.458 4.431
69 HB3 4FO 8 HB3 4FO 8 7.237 12.267 5.759
70 HG3 4FO 8 HG3 4FO 8 8.885 13.786 7.039
71 HG2 4FO 8 HG2 4FO 8 7.239 14.458 6.757
72 HZ3 4FO 8 HZ3 4FO 8 8.824 16.174 6.295
73 HZ2 4FO 8 HZ1 4FO 8 9.676 15.189 5.153
74 HZ1 4FO 8 HZ2 4FO 8 8.087 15.701 4.856
75 H PHE 9 H PHE 9 6.977 10.758 4.530
76 HA PHE 9 HA PHE 9 7.514 9.807 1.794
77 HB2 PHE 9 HB2 PHE 9 6.047 7.844 2.486
78 HB3 PHE 9 HB3 PHE 9 7.630 7.940 3.250
79 HD1 PHE 9 HD1 PHE 9 7.834 8.639 5.596
80 HD2 PHE 9 HD2 PHE 9 4.042 8.062 3.750
81 HE1 PHE 9 HE1 PHE 9 6.771 8.554 7.814
82 HE2 PHE 9 HE2 PHE 9 2.973 7.976 5.964
83 HZ PHE 9 HZ PHE 9 4.337 8.223 8.000
84 H GLU 10 H GLU 10 6.322 12.145 1.740
85 HA GLU 10 HA GLU 10 4.489 13.311 1.059
86 HB2 GLU 10 HB2 GLU 10 3.618 10.562 0.152
87 HB3 GLU 10 HB3 GLU 10 2.854 12.068 -0.336
88 HG2 GLU 10 HG2 GLU 10 4.227 11.689 -2.117
89 HG3 GLU 10 HG3 GLU 10 5.266 12.698 -1.113
90 H VAL 11 H VAL 11 4.365 13.068 3.661
91 HA VAL 11 HA VAL 11 2.012 11.728 4.610
92 HB VAL 11 HB VAL 11 2.453 12.981 6.729
93 HG11 VAL 11 HG11 VAL 11 3.434 10.758 6.233
94 HG12 VAL 11 HG12 VAL 11 4.875 11.571 5.617
95 HG13 VAL 11 HG13 VAL 11 4.426 11.735 7.315
96 HG21 VAL 11 HG21 VAL 11 3.736 14.792 6.743
97 HG22 VAL 11 HG22 VAL 11 5.102 13.857 6.133
98 HG23 VAL 11 HG23 VAL 11 3.980 14.617 5.005
99 H20 28J 12 H 28J 12 0.771 12.829 2.792
100 H21 28J 12 HA 28J 12 -1.104 14.208 2.287
101 H22 28J 12 HB 28J 12 -0.484 16.421 1.713
102 H23 28J 12 HG21 28J 12 0.367 17.023 4.105
103 H24 28J 12 HG22 28J 12 1.946 16.343 3.640
104 H25 28J 12 HG23 28J 12 1.286 17.754 2.745
105 H26 28J 12 HG12 28J 12 1.797 16.168 0.663
106 H27 28J 12 HG13 28J 12 2.085 14.708 1.663
107 H28 28J 12 HD13 28J 12 1.138 14.500 -0.880
108 H29 28J 12 HD11 28J 12 0.647 13.357 0.406
109 H30 28J 12 HD12 28J 12 -0.447 14.711 -0.044
110 H ALA 13 H ALA 13 -1.895 16.656 3.109
111 HA ALA 13 HA ALA 13 -2.140 17.132 5.819
112 HB1 ALA 13 HB1 ALA 13 -2.927 18.611 3.957
113 HB2 ALA 13 HB2 ALA 13 -4.347 17.574 3.818
114 HB3 ALA 13 HB3 ALA 13 -4.048 18.464 5.310
Start of MODEL 11
1 H1 4N3 1 H DVA 1 0.558 1.812 0.701
2 HA 4N3 1 HA DVA 1 3.411 2.335 0.578
3 HB 4N3 1 HB DVA 1 2.278 2.725 2.693
4 HG13 4N3 1 HG13 DVA 1 0.270 3.858 1.044
5 HG11 4N3 1 HG11 DVA 1 0.834 5.112 2.148
6 HG12 4N3 1 HG12 DVA 1 0.234 3.581 2.786
7 HG22 4N3 1 HG22 DVA 1 3.007 5.055 3.096
8 HG23 4N3 1 HG23 DVA 1 3.201 5.268 1.356
9 HG21 4N3 1 HG21 DVA 1 4.204 4.102 2.220
10 HD2 4N3 1 HD2 DVA 1 0.061 -0.372 0.423
11 HD1 4N3 1 HD1 DVA 1 0.097 -0.388 -1.355
12 HE1 4N3 1 HE1 DVA 1 2.374 -1.716 0.107
13 HE2 4N3 1 HE2 DVA 1 0.803 -2.552 0.086
14 HF2 4N3 1 HF2 DVA 1 2.617 -2.871 -1.894
15 HF1 4N3 1 HF1 DVA 1 1.793 -1.421 -2.518
16 HH1 4N3 1 HH1 DVA 1 0.069 -3.664 -1.494
17 HH2 4N3 1 HH2 DVA 1 0.890 -3.907 -3.054
18 HI1 4N3 1 HI1 DVA 1 -1.168 -1.812 -2.288
19 HI2 4N3 1 HI2 DVA 1 -0.026 -1.498 -3.617
20 HJ1 4N3 1 HJ1 DVA 1 -2.003 -3.817 -3.393
21 HJ2 4N3 1 HJ2 DVA 1 -0.736 -3.715 -4.639
22 HK3 4N3 1 HK3 DVA 1 -3.304 -2.637 -4.851
23 HK2 4N3 1 HK2 DVA 1 -1.904 -2.173 -5.848
24 HK1 4N3 1 HK1 DVA 1 -2.315 -1.228 -4.396
25 H1 4FO 2 H 4FO 2 4.318 3.394 -0.994
26 HA 4FO 2 HA 4FO 2 2.773 5.258 -2.797
27 HB2 4FO 2 HB2 4FO 2 4.256 3.804 -4.019
28 HB3 4FO 2 HB3 4FO 2 4.963 5.442 -4.011
29 HG3 4FO 2 HG3 4FO 2 5.985 3.244 -2.076
30 HG2 4FO 2 HG2 4FO 2 6.726 4.832 -2.485
31 HZ3 4FO 2 HZ3 4FO 2 6.833 3.958 -4.888
32 HZ2 4FO 2 HZ1 4FO 2 7.916 3.252 -3.736
33 HZ1 4FO 2 HZ2 4FO 2 6.514 2.439 -4.232
34 H GLY 3 H GLY 3 5.599 5.401 -0.574
35 HA2 GLY 3 HA2 GLY 3 5.386 8.335 -0.709
36 HA3 GLY 3 HA3 GLY 3 5.332 7.530 0.852
37 H DSN 4 H DSN 4 7.277 5.542 0.356
38 HA DSN 4 HA DSN 4 9.703 7.195 0.079
39 HB2 DSN 4 HB2 DSN 4 9.140 5.218 -1.602
40 HB3 DSN 4 HB3 DSN 4 9.825 4.235 -0.307
41 HG DSN 4 HG DSN 4 11.751 5.106 -0.637
42 H DTR 5 H DTR 5 8.383 7.043 2.508
43 HA DTR 5 HA DTR 5 10.461 5.926 4.161
44 HB2 DTR 5 HB2 DTR 5 9.300 4.258 5.248
45 HB3 DTR 5 HB3 DTR 5 8.621 4.109 3.630
46 HD1 DTR 5 HD1 DTR 5 6.374 6.161 3.531
47 HE1 DTR 5 HE1 DTR 5 4.338 6.049 5.102
48 HZ2 DTR 5 HZ2 DTR 5 3.675 4.907 7.597
49 HH2 DTR 5 HH2 DTR 5 4.681 3.539 9.373
50 HZ3 DTR 5 HZ3 DTR 5 6.990 2.762 9.216
51 HE3 DTR 5 HE3 DTR 5 8.392 3.320 7.272
52 H SER 6 H SER 6 9.545 6.128 6.613
53 HA SER 6 HA SER 6 7.883 8.467 6.970
54 HB2 SER 6 HB2 SER 6 7.434 7.255 8.818
55 HB3 SER 6 HB3 SER 6 8.910 6.305 8.652
56 HG SER 6 HG SER 6 9.345 7.427 10.422
57 H DAB 7 H DAB 7 8.781 10.309 6.367
58 HA DAB 7 HA DAB 7 11.158 11.304 7.931
59 HB2 DAB 7 HB2 DAB 7 11.950 12.488 5.724
60 HB3 DAB 7 HB3 DAB 7 10.925 11.300 4.874
61 HG2 DAB 7 HG2 DAB 7 12.354 9.509 5.253
62 HG3 DAB 7 HG3 DAB 7 13.063 10.175 6.767
63 HD1 DAB 7 HZ3 DAB 7 13.545 11.413 4.050
64 HD2 DAB 7 HZ2 DAB 7 14.391 11.663 5.485
65 HZ1 DAB 7 HZ1 DAB 7 14.545 10.163 4.709
66 H1 4FO 8 H 4FO 8 8.117 11.621 7.655
67 HA 4FO 8 HA 4FO 8 7.940 14.534 8.115
68 HB2 4FO 8 HB2 4FO 8 5.697 14.167 8.651
69 HB3 4FO 8 HB3 4FO 8 5.491 12.958 7.355
70 HG3 4FO 8 HG3 4FO 8 5.437 12.276 10.019
71 HG2 4FO 8 HG2 4FO 8 7.202 12.109 9.712
72 HZ3 4FO 8 HZ3 4FO 8 5.920 10.839 7.554
73 HZ2 4FO 8 HZ1 4FO 8 6.786 10.113 8.866
74 HZ1 4FO 8 HZ2 4FO 8 5.110 10.358 8.952
75 H PHE 9 H PHE 9 7.411 12.432 5.305
76 HA PHE 9 HA PHE 9 7.741 14.547 3.489
77 HB2 PHE 9 HB2 PHE 9 7.183 12.977 1.774
78 HB3 PHE 9 HB3 PHE 9 8.066 12.091 3.013
79 HD1 PHE 9 HD1 PHE 9 6.660 10.824 4.758
80 HD2 PHE 9 HD2 PHE 9 5.130 12.210 1.035
81 HE1 PHE 9 HE1 PHE 9 4.813 9.206 4.918
82 HE2 PHE 9 HE2 PHE 9 3.280 10.596 1.191
83 HZ PHE 9 HZ PHE 9 3.119 9.091 3.134
84 H GLU 10 H GLU 10 5.701 14.225 1.611
85 HA GLU 10 HA GLU 10 3.753 16.024 2.644
86 HB2 GLU 10 HB2 GLU 10 4.647 15.701 0.203
87 HB3 GLU 10 HB3 GLU 10 3.359 14.510 0.089
88 HG2 GLU 10 HG2 GLU 10 1.764 16.296 0.813
89 HG3 GLU 10 HG3 GLU 10 3.089 17.449 0.657
90 H VAL 11 H VAL 11 3.060 14.629 4.452
91 HA VAL 11 HA VAL 11 0.921 12.794 3.591
92 HB VAL 11 HB VAL 11 2.533 11.359 4.536
93 HG11 VAL 11 HG11 VAL 11 3.524 11.798 6.796
94 HG12 VAL 11 HG12 VAL 11 4.038 12.917 5.532
95 HG13 VAL 11 HG13 VAL 11 2.829 13.417 6.716
96 HG21 VAL 11 HG21 VAL 11 1.259 10.301 6.087
97 HG22 VAL 11 HG22 VAL 11 0.990 11.766 7.030
98 HG23 VAL 11 HG23 VAL 11 0.066 11.486 5.555
99 H20 28J 12 H 28J 12 -0.882 13.896 3.855
100 H21 28J 12 HA 28J 12 -2.721 14.864 5.037
101 H22 28J 12 HB 28J 12 -2.336 17.170 5.544
102 H23 28J 12 HG21 28J 12 0.706 16.566 5.763
103 H24 28J 12 HG22 28J 12 -0.058 18.166 5.930
104 H25 28J 12 HG23 28J 12 -0.400 16.885 7.143
105 H26 28J 12 HG12 28J 12 -1.887 16.200 3.112
106 H27 28J 12 HG13 28J 12 -1.545 17.919 3.491
107 H28 28J 12 HD13 28J 12 0.784 15.979 3.869
108 H29 28J 12 HD11 28J 12 0.257 16.327 2.194
109 H30 28J 12 HD12 28J 12 0.766 17.679 3.265
110 H ALA 13 H ALA 13 -2.743 16.490 7.281
111 HA ALA 13 HA ALA 13 -1.920 14.717 9.462
112 HB1 ALA 13 HB1 ALA 13 -2.081 17.537 9.173
113 HB2 ALA 13 HB2 ALA 13 -3.194 17.049 10.452
114 HB3 ALA 13 HB3 ALA 13 -1.491 16.602 10.547
Start of MODEL 12
1 H1 4N3 1 H DVA 1 2.274 2.804 -2.586
2 HA 4N3 1 HA DVA 1 3.580 0.749 -0.958
3 HB 4N3 1 HB DVA 1 1.637 1.880 0.030
4 HG13 4N3 1 HG13 DVA 1 2.999 4.414 0.533
5 HG11 4N3 1 HG11 DVA 1 1.333 4.096 0.048
6 HG12 4N3 1 HG12 DVA 1 2.611 4.143 -1.167
7 HG22 4N3 1 HG22 DVA 1 2.524 1.905 2.119
8 HG23 4N3 1 HG23 DVA 1 3.871 2.944 1.656
9 HG21 4N3 1 HG21 DVA 1 3.911 1.224 1.269
10 HD2 4N3 1 HD2 DVA 1 3.122 2.183 -5.118
11 HD1 4N3 1 HD1 DVA 1 4.599 1.544 -4.360
12 HE1 4N3 1 HE1 DVA 1 4.314 0.174 -6.289
13 HE2 4N3 1 HE2 DVA 1 3.640 -0.810 -4.969
14 HF2 4N3 1 HF2 DVA 1 2.200 0.681 -7.173
15 HF1 4N3 1 HF1 DVA 1 1.378 0.443 -5.612
16 HH1 4N3 1 HH1 DVA 1 0.785 -1.452 -6.992
17 HH2 4N3 1 HH2 DVA 1 1.978 -2.043 -5.811
18 HI1 4N3 1 HI1 DVA 1 2.655 -1.129 -8.651
19 HI2 4N3 1 HI2 DVA 1 3.779 -1.851 -7.473
20 HJ1 4N3 1 HJ1 DVA 1 2.601 -3.361 -9.344
21 HJ2 4N3 1 HJ2 DVA 1 1.261 -3.363 -8.172
22 HK3 4N3 1 HK3 DVA 1 3.818 -3.806 -6.823
23 HK2 4N3 1 HK2 DVA 1 3.569 -5.008 -8.113
24 HK1 4N3 1 HK1 DVA 1 2.357 -4.824 -6.822
25 H1 4FO 2 H 4FO 2 5.522 1.017 0.044
26 HA 4FO 2 HA 4FO 2 7.592 2.689 -1.219
27 HB2 4FO 2 HB2 4FO 2 8.239 0.555 -0.196
28 HB3 4FO 2 HB3 4FO 2 9.042 1.926 0.617
29 HG3 4FO 2 HG3 4FO 2 6.511 0.855 1.967
30 HG2 4FO 2 HG2 4FO 2 8.012 1.568 2.656
31 HZ3 4FO 2 HZ3 4FO 2 7.422 -1.187 2.309
32 HZ2 4FO 2 HZ1 4FO 2 8.853 -0.787 1.421
33 HZ1 4FO 2 HZ2 4FO 2 8.719 -0.429 3.072
34 H GLY 3 H GLY 3 5.983 2.897 2.003
35 HA2 GLY 3 HA2 GLY 3 6.723 5.757 1.974
36 HA3 GLY 3 HA3 GLY 3 5.269 5.120 2.730
37 H DSN 4 H DSN 4 6.190 3.016 4.183
38 HA DSN 4 HA DSN 4 8.480 3.808 5.753
39 HB2 DSN 4 HB2 DSN 4 7.728 1.397 5.196
40 HB3 DSN 4 HB3 DSN 4 6.556 1.615 6.496
41 HG DSN 4 HG DSN 4 8.942 0.799 6.827
42 H DTR 5 H DTR 5 4.978 3.540 6.250
43 HA DTR 5 HA DTR 5 5.052 4.487 8.938
44 HB2 DTR 5 HB2 DTR 5 2.771 4.194 8.946
45 HB3 DTR 5 HB3 DTR 5 3.204 3.139 7.603
46 HD1 DTR 5 HD1 DTR 5 3.351 4.943 5.171
47 HE1 DTR 5 HE1 DTR 5 1.331 6.294 4.323
48 HZ2 DTR 5 HZ2 DTR 5 -1.108 7.283 5.343
49 HH2 DTR 5 HH2 DTR 5 -2.402 7.322 7.430
50 HZ3 DTR 5 HZ3 DTR 5 -1.570 6.241 9.455
51 HE3 DTR 5 HE3 DTR 5 0.596 5.073 9.476
52 H SER 6 H SER 6 3.374 6.441 9.352
53 HA SER 6 HA SER 6 3.785 8.646 7.522
54 HB2 SER 6 HB2 SER 6 2.257 9.867 8.885
55 HB3 SER 6 HB3 SER 6 1.631 8.221 8.803
56 HG SER 6 HG SER 6 2.894 9.542 10.942
57 H DAB 7 H DAB 7 5.847 9.282 7.496
58 HA DAB 7 HA DAB 7 7.104 10.256 10.100
59 HB2 DAB 7 HB2 DAB 7 9.288 10.236 8.716
60 HB3 DAB 7 HB3 DAB 7 8.373 9.387 7.441
61 HG2 DAB 7 HG2 DAB 7 9.852 7.905 8.883
62 HG3 DAB 7 HG3 DAB 7 8.143 7.349 8.783
63 HD1 DAB 7 HZ3 DAB 7 9.582 8.689 11.072
64 HD2 DAB 7 HZ2 DAB 7 7.900 8.682 10.980
65 HZ1 DAB 7 HZ1 DAB 7 8.709 7.194 11.059
66 H1 4FO 8 H 4FO 8 5.830 11.117 6.994
67 HA 4FO 8 HA 4FO 8 6.809 13.988 7.324
68 HB2 4FO 8 HB2 4FO 8 4.781 14.746 6.193
69 HB3 4FO 8 HB3 4FO 8 4.332 13.071 5.773
70 HG3 4FO 8 HG3 4FO 8 2.992 14.307 7.718
71 HG2 4FO 8 HG2 4FO 8 4.439 13.923 8.717
72 HZ3 4FO 8 HZ3 4FO 8 3.950 11.740 8.806
73 HZ2 4FO 8 HZ1 4FO 8 2.350 12.220 8.350
74 HZ1 4FO 8 HZ2 4FO 8 3.459 11.658 7.197
75 H PHE 9 H PHE 9 5.479 12.033 4.610
76 HA PHE 9 HA PHE 9 7.708 13.068 2.993
77 HB2 PHE 9 HB2 PHE 9 7.887 10.922 1.852
78 HB3 PHE 9 HB3 PHE 9 8.120 10.705 3.583
79 HD1 PHE 9 HD1 PHE 9 6.004 10.032 4.936
80 HD2 PHE 9 HD2 PHE 9 6.406 9.563 0.725
81 HE1 PHE 9 HE1 PHE 9 4.236 8.321 4.961
82 HE2 PHE 9 HE2 PHE 9 4.638 7.853 0.743
83 HZ PHE 9 HZ PHE 9 3.550 7.230 2.862
84 H GLU 10 H GLU 10 4.412 11.825 3.070
85 HA GLU 10 HA GLU 10 3.816 13.433 0.693
86 HB2 GLU 10 HB2 GLU 10 4.174 10.988 0.096
87 HB3 GLU 10 HB3 GLU 10 2.730 10.640 1.038
88 HG2 GLU 10 HG2 GLU 10 1.330 11.594 -0.488
89 HG3 GLU 10 HG3 GLU 10 2.558 12.711 -1.082
90 H VAL 11 H VAL 11 3.292 14.257 3.234
91 HA VAL 11 HA VAL 11 0.535 14.787 3.166
92 HB VAL 11 HB VAL 11 0.262 12.479 3.896
93 HG11 VAL 11 HG11 VAL 11 1.273 11.542 5.772
94 HG12 VAL 11 HG12 VAL 11 2.573 12.479 5.034
95 HG13 VAL 11 HG13 VAL 11 1.715 13.113 6.439
96 HG21 VAL 11 HG21 VAL 11 -0.855 14.703 5.064
97 HG22 VAL 11 HG22 VAL 11 -1.430 13.045 5.244
98 HG23 VAL 11 HG23 VAL 11 -0.348 13.740 6.451
99 H20 28J 12 H 28J 12 0.101 16.560 4.276
100 H21 28J 12 HA 28J 12 0.278 18.237 6.014
101 H22 28J 12 HB 28J 12 1.417 19.139 4.068
102 H23 28J 12 HG21 28J 12 2.986 19.619 6.706
103 H24 28J 12 HG22 28J 12 3.182 20.619 5.244
104 H25 28J 12 HG23 28J 12 1.589 20.556 6.072
105 H26 28J 12 HG12 28J 12 4.117 18.795 4.149
106 H27 28J 12 HG13 28J 12 3.643 17.252 4.931
107 H28 28J 12 HD13 28J 12 3.379 18.061 2.048
108 H29 28J 12 HD11 28J 12 3.476 16.437 2.793
109 H30 28J 12 HD12 28J 12 1.896 17.291 2.730
110 H ALA 13 H ALA 13 0.103 17.406 7.937
111 HA ALA 13 HA ALA 13 2.589 17.121 9.452
112 HB1 ALA 13 HB1 ALA 13 1.037 18.723 10.343
113 HB2 ALA 13 HB2 ALA 13 -0.258 17.525 10.356
114 HB3 ALA 13 HB3 ALA 13 1.121 17.345 11.440
Start of MODEL 13
1 H1 4N3 1 H DVA 1 1.671 2.649 -1.517
2 HA 4N3 1 HA DVA 1 3.886 2.967 0.248
3 HB 4N3 1 HB DVA 1 2.131 3.626 1.818
4 HG13 4N3 1 HG13 DVA 1 1.387 6.107 0.489
5 HG11 4N3 1 HG11 DVA 1 0.378 4.904 1.292
6 HG12 4N3 1 HG12 DVA 1 0.859 4.670 -0.389
7 HG22 4N3 1 HG22 DVA 1 3.181 5.535 2.613
8 HG23 4N3 1 HG23 DVA 1 3.461 6.178 0.995
9 HG21 4N3 1 HG21 DVA 1 4.419 4.819 1.581
10 HD2 4N3 1 HD2 DVA 1 0.556 0.176 -1.229
11 HD1 4N3 1 HD1 DVA 1 2.312 0.033 -1.481
12 HE1 4N3 1 HE1 DVA 1 1.100 -0.798 1.172
13 HE2 4N3 1 HE2 DVA 1 1.017 -1.903 -0.221
14 HF2 4N3 1 HF2 DVA 1 3.442 -0.895 1.283
15 HF1 4N3 1 HF1 DVA 1 3.607 -1.321 -0.438
16 HH1 4N3 1 HH1 DVA 1 2.210 -3.233 1.450
17 HH2 4N3 1 HH2 DVA 1 3.988 -3.183 1.406
18 HI1 4N3 1 HI1 DVA 1 2.231 -3.537 -1.070
19 HI2 4N3 1 HI2 DVA 1 4.003 -3.680 -0.984
20 HJ1 4N3 1 HJ1 DVA 1 2.622 -5.888 -0.944
21 HJ2 4N3 1 HJ2 DVA 1 2.185 -5.428 0.719
22 HK3 4N3 1 HK3 DVA 1 4.727 -6.499 -0.322
23 HK2 4N3 1 HK2 DVA 1 4.137 -6.417 1.355
24 HK1 4N3 1 HK1 DVA 1 4.957 -5.013 0.630
25 H1 4FO 2 H 4FO 2 5.382 4.229 -0.610
26 HA 4FO 2 HA 4FO 2 4.639 6.074 -2.924
27 HB2 4FO 2 HB2 4FO 2 6.062 4.396 -3.870
28 HB3 4FO 2 HB3 4FO 2 7.070 5.841 -3.584
29 HG3 4FO 2 HG3 4FO 2 7.133 3.545 -1.521
30 HG2 4FO 2 HG2 4FO 2 8.338 4.837 -1.864
31 HZ3 4FO 2 HZ3 4FO 2 8.712 2.402 -2.765
32 HZ2 4FO 2 HZ1 4FO 2 7.780 2.992 -4.101
33 HZ1 4FO 2 HZ2 4FO 2 9.201 3.775 -3.611
34 H GLY 3 H GLY 3 7.071 5.706 -0.281
35 HA2 GLY 3 HA2 GLY 3 6.924 8.643 0.000
36 HA3 GLY 3 HA3 GLY 3 7.232 7.538 1.332
37 H DSN 4 H DSN 4 9.075 5.883 -0.216
38 HA DSN 4 HA DSN 4 11.197 7.357 -1.290
39 HB2 DSN 4 HB2 DSN 4 11.231 4.664 0.093
40 HB3 DSN 4 HB3 DSN 4 12.564 5.323 -0.855
41 HG DSN 4 HG DSN 4 11.586 4.574 -2.542
42 H DTR 5 H DTR 5 10.281 6.725 1.994
43 HA DTR 5 HA DTR 5 12.779 7.960 2.943
44 HB2 DTR 5 HB2 DTR 5 12.714 6.647 4.804
45 HB3 DTR 5 HB3 DTR 5 11.770 5.601 3.746
46 HD1 DTR 5 HD1 DTR 5 8.932 6.494 3.886
47 HE1 DTR 5 HE1 DTR 5 7.590 6.661 6.076
48 HZ2 DTR 5 HZ2 DTR 5 8.110 6.903 8.840
49 HH2 DTR 5 HH2 DTR 5 10.003 7.060 10.398
50 HZ3 DTR 5 HZ3 DTR 5 12.308 7.025 9.593
51 HE3 DTR 5 HE3 DTR 5 12.816 6.829 7.194
52 H SER 6 H SER 6 12.325 9.083 5.198
53 HA SER 6 HA SER 6 9.844 10.629 5.101
54 HB2 SER 6 HB2 SER 6 11.932 10.172 7.220
55 HB3 SER 6 HB3 SER 6 10.778 11.500 7.356
56 HG SER 6 HG SER 6 9.911 9.724 8.384
57 H DAB 7 H DAB 7 10.030 12.171 3.614
58 HA DAB 7 HA DAB 7 12.265 14.222 3.937
59 HB2 DAB 7 HB2 DAB 7 11.907 14.838 1.543
60 HB3 DAB 7 HB3 DAB 7 10.623 13.606 1.415
61 HG2 DAB 7 HG2 DAB 7 12.363 11.788 1.822
62 HG3 DAB 7 HG3 DAB 7 13.660 13.032 1.716
63 HD1 DAB 7 HZ3 DAB 7 12.718 13.546 -0.589
64 HD2 DAB 7 HZ2 DAB 7 13.398 12.017 -0.395
65 HZ1 DAB 7 HZ1 DAB 7 11.708 12.150 -0.417
66 H1 4FO 8 H 4FO 8 9.137 13.593 4.677
67 HA 4FO 8 HA 4FO 8 8.359 16.506 4.811
68 HB2 4FO 8 HB2 4FO 8 6.334 15.566 6.077
69 HB3 4FO 8 HB3 4FO 8 7.041 13.941 5.875
70 HG3 4FO 8 HG3 4FO 8 8.574 16.152 7.413
71 HG2 4FO 8 HG2 4FO 8 8.859 14.376 7.378
72 HZ3 4FO 8 HZ3 4FO 8 6.380 15.620 8.538
73 HZ2 4FO 8 HZ1 4FO 8 6.856 13.956 8.593
74 HZ1 4FO 8 HZ2 4FO 8 7.748 15.150 9.402
75 H PHE 9 H PHE 9 6.260 13.700 4.105
76 HA PHE 9 HA PHE 9 5.403 15.123 1.673
77 HB2 PHE 9 HB2 PHE 9 4.488 12.791 1.046
78 HB3 PHE 9 HB3 PHE 9 6.227 13.051 0.950
79 HD1 PHE 9 HD1 PHE 9 7.714 12.118 2.680
80 HD2 PHE 9 HD2 PHE 9 3.550 11.244 2.581
81 HE1 PHE 9 HE1 PHE 9 8.086 10.197 4.171
82 HE2 PHE 9 HE2 PHE 9 3.915 9.322 4.073
83 HZ PHE 9 HZ PHE 9 6.184 8.796 4.871
84 H GLU 10 H GLU 10 4.118 16.359 3.362
85 HA GLU 10 HA GLU 10 2.207 16.741 4.586
86 HB2 GLU 10 HB2 GLU 10 0.181 16.401 3.261
87 HB3 GLU 10 HB3 GLU 10 1.485 17.032 2.264
88 HG2 GLU 10 HG2 GLU 10 1.873 14.884 1.293
89 HG3 GLU 10 HG3 GLU 10 0.744 14.121 2.411
90 H VAL 11 H VAL 11 3.476 14.483 5.579
91 HA VAL 11 HA VAL 11 2.028 12.135 5.747
92 HB VAL 11 HB VAL 11 3.099 11.784 7.954
93 HG11 VAL 11 HG11 VAL 11 4.427 11.092 6.173
94 HG12 VAL 11 HG12 VAL 11 4.716 12.743 5.620
95 HG13 VAL 11 HG13 VAL 11 5.497 12.153 7.088
96 HG21 VAL 11 HG21 VAL 11 3.889 13.446 9.215
97 HG22 VAL 11 HG22 VAL 11 4.763 14.162 7.860
98 HG23 VAL 11 HG23 VAL 11 3.060 14.545 8.112
99 H20 28J 12 H 28J 12 0.529 11.288 7.164
100 H21 28J 12 HA 28J 12 -1.670 13.093 7.809
101 H22 28J 12 HB 28J 12 -0.393 13.680 9.788
102 H23 28J 12 HG21 28J 12 -2.838 13.450 10.157
103 H24 28J 12 HG22 28J 12 -2.697 11.693 10.418
104 H25 28J 12 HG23 28J 12 -1.985 12.831 11.612
105 H26 28J 12 HG12 28J 12 1.124 11.643 9.750
106 H27 28J 12 HG13 28J 12 0.530 12.116 11.375
107 H28 28J 12 HD13 28J 12 -1.395 10.183 10.379
108 H29 28J 12 HD11 28J 12 0.230 9.537 10.000
109 H30 28J 12 HD12 28J 12 -0.180 9.971 11.696
110 H ALA 13 H ALA 13 -3.562 12.123 8.184
111 HA ALA 13 HA ALA 13 -3.865 9.326 8.606
112 HB1 ALA 13 HB1 ALA 13 -5.689 11.589 7.976
113 HB2 ALA 13 HB2 ALA 13 -6.273 9.943 7.729
114 HB3 ALA 13 HB3 ALA 13 -5.720 10.452 9.324
Start of MODEL 14
1 H1 4N3 1 H DVA 1 2.670 2.018 -4.307
2 HA 4N3 1 HA DVA 1 2.800 2.070 -1.565
3 HB 4N3 1 HB DVA 1 0.371 2.181 -1.494
4 HG13 4N3 1 HG13 DVA 1 0.698 3.884 -3.731
5 HG11 4N3 1 HG11 DVA 1 -0.104 4.814 -2.466
6 HG12 4N3 1 HG12 DVA 1 -0.802 3.290 -3.016
7 HG22 4N3 1 HG22 DVA 1 0.352 3.641 0.219
8 HG23 4N3 1 HG23 DVA 1 0.968 4.965 -0.769
9 HG21 4N3 1 HG21 DVA 1 2.080 3.766 -0.109
10 HD2 4N3 1 HD2 DVA 1 1.788 0.051 -1.543
11 HD1 4N3 1 HD1 DVA 1 0.780 -1.058 -2.500
12 HE1 4N3 1 HE1 DVA 1 3.548 -0.438 -3.519
13 HE2 4N3 1 HE2 DVA 1 3.403 -1.524 -2.117
14 HF2 4N3 1 HF2 DVA 1 1.503 -2.653 -3.642
15 HF1 4N3 1 HF1 DVA 1 3.219 -3.081 -3.845
16 HH1 4N3 1 HH1 DVA 1 1.995 -0.776 -5.401
17 HH2 4N3 1 HH2 DVA 1 1.845 -2.450 -5.984
18 HI1 4N3 1 HI1 DVA 1 4.391 -0.839 -5.521
19 HI2 4N3 1 HI2 DVA 1 4.411 -2.612 -5.681
20 HJ1 4N3 1 HJ1 DVA 1 3.021 -2.201 -7.867
21 HJ2 4N3 1 HJ2 DVA 1 4.769 -1.865 -7.905
22 HK3 4N3 1 HK3 DVA 1 4.325 0.538 -7.467
23 HK2 4N3 1 HK2 DVA 1 2.576 0.210 -7.407
24 HK1 4N3 1 HK1 DVA 1 3.470 -0.001 -8.932
25 H1 4FO 2 H 4FO 2 4.336 3.434 -1.085
26 HA 4FO 2 HA 4FO 2 4.476 6.154 -2.391
27 HB2 4FO 2 HB2 4FO 2 6.036 4.587 -3.687
28 HB3 4FO 2 HB3 4FO 2 6.762 6.040 -2.948
29 HG3 4FO 2 HG3 4FO 2 7.033 3.204 -1.705
30 HG2 4FO 2 HG2 4FO 2 7.824 4.729 -1.167
31 HZ3 4FO 2 HZ3 4FO 2 9.236 3.208 -2.599
32 HZ2 4FO 2 HZ1 4FO 2 8.282 3.728 -3.948
33 HZ1 4FO 2 HZ2 4FO 2 9.165 4.839 -3.019
34 H GLY 3 H GLY 3 5.799 3.969 0.134
35 HA2 GLY 3 HA2 GLY 3 6.178 6.380 1.796
36 HA3 GLY 3 HA3 GLY 3 5.372 4.952 2.427
37 H DSN 4 H DSN 4 6.588 3.076 2.856
38 HA DSN 4 HA DSN 4 9.501 3.332 2.671
39 HB2 DSN 4 HB2 DSN 4 9.635 1.023 2.704
40 HB3 DSN 4 HB3 DSN 4 8.060 1.242 1.941
41 HG DSN 4 HG DSN 4 7.113 0.439 3.652
42 H DTR 5 H DTR 5 7.863 4.791 4.635
43 HA DTR 5 HA DTR 5 9.454 4.194 6.953
44 HB2 DTR 5 HB2 DTR 5 7.837 3.457 8.430
45 HB3 DTR 5 HB3 DTR 5 7.302 2.679 6.943
46 HD1 DTR 5 HD1 DTR 5 5.632 4.814 5.528
47 HE1 DTR 5 HE1 DTR 5 3.475 5.766 6.562
48 HZ2 DTR 5 HZ2 DTR 5 2.304 6.006 9.119
49 HH2 DTR 5 HH2 DTR 5 2.766 5.445 11.466
50 HZ3 DTR 5 HZ3 DTR 5 4.828 4.310 12.112
51 HE3 DTR 5 HE3 DTR 5 6.517 3.686 10.436
52 H SER 6 H SER 6 8.383 5.644 8.878
53 HA SER 6 HA SER 6 7.274 8.125 7.928
54 HB2 SER 6 HB2 SER 6 7.006 8.705 10.167
55 HB3 SER 6 HB3 SER 6 6.925 6.945 10.239
56 HG SER 6 HG SER 6 9.313 7.143 10.616
57 H DAB 7 H DAB 7 8.438 9.538 6.886
58 HA DAB 7 HA DAB 7 10.962 10.606 8.108
59 HB2 DAB 7 HB2 DAB 7 12.122 10.624 5.827
60 HB3 DAB 7 HB3 DAB 7 10.809 9.584 5.212
61 HG2 DAB 7 HG2 DAB 7 11.478 7.743 6.763
62 HG3 DAB 7 HG3 DAB 7 12.842 8.727 7.403
63 HD1 DAB 7 HZ3 DAB 7 12.621 8.270 4.447
64 HD2 DAB 7 HZ2 DAB 7 13.981 8.510 5.412
65 HZ1 DAB 7 HZ1 DAB 7 13.210 7.001 5.468
66 H1 4FO 8 H 4FO 8 8.126 11.407 7.659
67 HA 4FO 8 HA 4FO 8 8.447 14.207 6.927
68 HB2 4FO 8 HB2 4FO 8 5.874 14.125 6.681
69 HB3 4FO 8 HB3 4FO 8 5.984 12.372 6.997
70 HG3 4FO 8 HG3 4FO 8 7.044 14.378 9.100
71 HG2 4FO 8 HG2 4FO 8 6.581 12.648 9.281
72 HZ3 4FO 8 HZ3 4FO 8 4.290 13.987 8.328
73 HZ2 4FO 8 HZ1 4FO 8 4.572 13.319 9.900
74 HZ1 4FO 8 HZ2 4FO 8 4.946 14.936 9.555
75 H PHE 9 H PHE 9 6.306 12.030 5.066
76 HA PHE 9 HA PHE 9 7.537 13.124 2.624
77 HB2 PHE 9 HB2 PHE 9 6.404 11.083 1.538
78 HB3 PHE 9 HB3 PHE 9 7.829 10.795 2.531
79 HD1 PHE 9 HD1 PHE 9 7.596 9.825 4.779
80 HD2 PHE 9 HD2 PHE 9 4.268 10.244 2.159
81 HE1 PHE 9 HE1 PHE 9 6.320 8.227 6.149
82 HE2 PHE 9 HE2 PHE 9 2.987 8.648 3.524
83 HZ PHE 9 HZ PHE 9 4.012 7.638 5.523
84 H GLU 10 H GLU 10 5.996 14.960 3.374
85 HA GLU 10 HA GLU 10 4.100 16.184 3.054
86 HB2 GLU 10 HB2 GLU 10 3.799 14.410 0.625
87 HB3 GLU 10 HB3 GLU 10 3.062 15.988 0.861
88 HG2 GLU 10 HG2 GLU 10 6.024 15.479 0.712
89 HG3 GLU 10 HG3 GLU 10 5.023 16.039 -0.627
90 H VAL 11 H VAL 11 3.864 13.782 4.678
91 HA VAL 11 HA VAL 11 1.126 12.896 4.116
92 HB VAL 11 HB VAL 11 2.700 11.102 4.537
93 HG11 VAL 11 HG11 VAL 11 3.802 10.869 6.730
94 HG12 VAL 11 HG12 VAL 11 4.347 12.299 5.851
95 HG13 VAL 11 HG13 VAL 11 3.201 12.465 7.182
96 HG21 VAL 11 HG21 VAL 11 1.201 11.120 7.093
97 HG22 VAL 11 HG22 VAL 11 0.265 11.275 5.607
98 HG23 VAL 11 HG23 VAL 11 1.307 9.874 5.849
99 H20 28J 12 H 28J 12 -0.567 13.464 5.278
100 H21 28J 12 HA 28J 12 -0.422 15.773 7.026
101 H22 28J 12 HB 28J 12 0.397 14.263 8.744
102 H23 28J 12 HG21 28J 12 -1.187 15.999 9.546
103 H24 28J 12 HG22 28J 12 -2.597 14.991 9.136
104 H25 28J 12 HG23 28J 12 -1.496 14.484 10.461
105 H26 28J 12 HG12 28J 12 -0.448 12.129 7.648
106 H27 28J 12 HG13 28J 12 -0.665 12.212 9.426
107 H28 28J 12 HD13 28J 12 -3.121 13.270 8.279
108 H29 28J 12 HD11 28J 12 -2.706 11.790 7.363
109 H30 28J 12 HD12 28J 12 -2.873 11.710 9.152
110 H ALA 13 H ALA 13 -2.318 16.715 7.445
111 HA ALA 13 HA ALA 13 -4.864 15.621 7.086
112 HB1 ALA 13 HB1 ALA 13 -3.750 18.366 7.208
113 HB2 ALA 13 HB2 ALA 13 -5.380 18.174 6.560
114 HB3 ALA 13 HB3 ALA 13 -5.005 17.605 8.186
Start of MODEL 15
1 H1 4N3 1 H DVA 1 3.452 2.929 -6.149
2 HA 4N3 1 HA DVA 1 4.694 2.932 -3.500
3 HB 4N3 1 HB DVA 1 2.381 4.436 -4.689
4 HG13 4N3 1 HG13 DVA 1 3.923 5.098 -2.193
5 HG11 4N3 1 HG11 DVA 1 2.250 5.598 -2.441
6 HG12 4N3 1 HG12 DVA 1 3.511 6.161 -3.540
7 HG22 4N3 1 HG22 DVA 1 1.814 2.300 -3.788
8 HG23 4N3 1 HG23 DVA 1 1.261 3.519 -2.640
9 HG21 4N3 1 HG21 DVA 1 2.739 2.611 -2.319
10 HD2 4N3 1 HD2 DVA 1 3.161 0.384 -4.846
11 HD1 4N3 1 HD1 DVA 1 4.485 -0.582 -5.538
12 HE1 4N3 1 HE1 DVA 1 4.571 0.995 -2.917
13 HE2 4N3 1 HE2 DVA 1 4.515 -0.776 -3.079
14 HF2 4N3 1 HF2 DVA 1 6.768 1.097 -3.942
15 HF1 4N3 1 HF1 DVA 1 6.688 -0.618 -4.417
16 HH1 4N3 1 HH1 DVA 1 6.421 0.135 -1.496
17 HH2 4N3 1 HH2 DVA 1 8.035 0.078 -2.242
18 HI1 4N3 1 HI1 DVA 1 7.079 -2.109 -1.128
19 HI2 4N3 1 HI2 DVA 1 6.100 -2.231 -2.610
20 HJ1 4N3 1 HJ1 DVA 1 9.133 -1.873 -2.625
21 HJ2 4N3 1 HJ2 DVA 1 8.085 -2.271 -4.008
22 HK3 4N3 1 HK3 DVA 1 7.849 -4.484 -3.371
23 HK2 4N3 1 HK2 DVA 1 7.948 -4.105 -1.634
24 HK1 4N3 1 HK1 DVA 1 9.431 -4.172 -2.616
25 H1 4FO 2 H 4FO 2 6.014 4.485 -2.737
26 HA 4FO 2 HA 4FO 2 6.683 6.895 -4.432
27 HB2 4FO 2 HB2 4FO 2 8.508 5.549 -5.141
28 HB3 4FO 2 HB3 4FO 2 9.137 6.551 -3.805
29 HG3 4FO 2 HG3 4FO 2 8.231 3.688 -3.135
30 HG2 4FO 2 HG2 4FO 2 9.455 4.750 -2.351
31 HZ3 4FO 2 HZ3 4FO 2 10.792 4.524 -4.510
32 HZ2 4FO 2 HZ1 4FO 2 10.672 3.111 -3.515
33 HZ1 4FO 2 HZ2 4FO 2 9.736 3.277 -4.919
34 H GLY 3 H GLY 3 7.685 5.305 -1.347
35 HA2 GLY 3 HA2 GLY 3 7.922 7.881 -0.081
36 HA3 GLY 3 HA3 GLY 3 6.494 6.991 0.428
37 H DSN 4 H DSN 4 7.649 4.384 0.312
38 HA DSN 4 HA DSN 4 9.846 4.496 2.241
39 HB2 DSN 4 HB2 DSN 4 9.738 1.921 1.853
40 HB3 DSN 4 HB3 DSN 4 10.386 2.950 0.575
41 HG DSN 4 HG DSN 4 7.846 1.723 0.737
42 H DTR 5 H DTR 5 6.503 4.239 2.192
43 HA DTR 5 HA DTR 5 6.463 2.848 4.788
44 HB2 DTR 5 HB2 DTR 5 4.467 1.881 4.251
45 HB3 DTR 5 HB3 DTR 5 5.080 2.109 2.616
46 HD1 DTR 5 HD1 DTR 5 4.353 4.904 1.799
47 HE1 DTR 5 HE1 DTR 5 1.931 5.774 1.745
48 HZ2 DTR 5 HZ2 DTR 5 -0.556 5.129 2.913
49 HH2 DTR 5 HH2 DTR 5 -1.546 3.503 4.466
50 HZ3 DTR 5 HZ3 DTR 5 -0.190 1.756 5.501
51 HE3 DTR 5 HE3 DTR 5 2.216 1.561 5.023
52 H SER 6 H SER 6 4.325 3.578 6.026
53 HA SER 6 HA SER 6 3.981 6.475 5.864
54 HB2 SER 6 HB2 SER 6 2.492 4.303 7.341
55 HB3 SER 6 HB3 SER 6 2.191 6.017 7.627
56 HG SER 6 HG SER 6 1.327 6.216 5.670
57 H DAB 7 H DAB 7 5.340 7.686 6.922
58 HA DAB 7 HA DAB 7 5.908 7.113 9.839
59 HB2 DAB 7 HB2 DAB 7 8.275 7.735 9.632
60 HB3 DAB 7 HB3 DAB 7 8.059 8.128 7.905
61 HG2 DAB 7 HG2 DAB 7 7.606 5.644 7.451
62 HG3 DAB 7 HG3 DAB 7 8.119 5.281 9.137
63 HD1 DAB 7 HZ3 DAB 7 10.315 5.712 8.578
64 HD2 DAB 7 HZ2 DAB 7 9.745 5.293 7.049
65 HZ1 DAB 7 HZ1 DAB 7 9.924 6.938 7.420
66 H1 4FO 8 H 4FO 8 4.252 8.957 7.983
67 HA 4FO 8 HA 4FO 8 4.324 11.404 9.591
68 HB2 4FO 8 HB2 4FO 8 2.887 12.357 7.712
69 HB3 4FO 8 HB3 4FO 8 3.193 10.864 6.784
70 HG3 4FO 8 HG3 4FO 8 1.732 9.529 8.141
71 HG2 4FO 8 HG2 4FO 8 0.905 11.122 8.014
72 HZ3 4FO 8 HZ3 4FO 8 1.087 11.519 10.200
73 HZ2 4FO 8 HZ1 4FO 8 1.444 9.833 10.370
74 HZ1 4FO 8 HZ2 4FO 8 2.684 10.986 10.281
75 H PHE 9 H PHE 9 4.960 11.330 6.062
76 HA PHE 9 HA PHE 9 7.082 13.308 6.569
77 HB2 PHE 9 HB2 PHE 9 8.355 12.364 4.695
78 HB3 PHE 9 HB3 PHE 9 8.087 11.157 5.948
79 HD1 PHE 9 HD1 PHE 9 6.153 9.522 5.614
80 HD2 PHE 9 HD2 PHE 9 7.752 11.937 2.495
81 HE1 PHE 9 HE1 PHE 9 5.181 8.000 3.942
82 HE2 PHE 9 HE2 PHE 9 6.782 10.420 0.818
83 HZ PHE 9 HZ PHE 9 5.494 8.449 1.541
84 H GLU 10 H GLU 10 4.616 12.102 4.358
85 HA GLU 10 HA GLU 10 4.339 14.808 3.279
86 HB2 GLU 10 HB2 GLU 10 4.959 12.333 1.720
87 HB3 GLU 10 HB3 GLU 10 3.922 13.556 0.997
88 HG2 GLU 10 HG2 GLU 10 5.826 15.189 1.670
89 HG3 GLU 10 HG3 GLU 10 6.803 13.724 1.751
90 H VAL 11 H VAL 11 2.988 11.537 2.807
91 HA VAL 11 HA VAL 11 0.355 12.427 2.334
92 HB VAL 11 HB VAL 11 1.245 10.181 1.693
93 HG11 VAL 11 HG11 VAL 11 1.967 8.690 3.186
94 HG12 VAL 11 HG12 VAL 11 1.924 10.001 4.366
95 HG13 VAL 11 HG13 VAL 11 0.548 8.910 4.208
96 HG21 VAL 11 HG21 VAL 11 -1.295 10.934 2.259
97 HG22 VAL 11 HG22 VAL 11 -0.855 9.380 1.550
98 HG23 VAL 11 HG23 VAL 11 -1.133 9.510 3.286
99 H20 28J 12 H 28J 12 -1.500 12.330 3.595
100 H21 28J 12 HA 28J 12 -0.985 12.985 6.489
101 H22 28J 12 HB 28J 12 -2.659 11.583 7.394
102 H23 28J 12 HG21 28J 12 -4.333 10.297 6.116
103 H24 28J 12 HG22 28J 12 -4.377 11.974 5.517
104 H25 28J 12 HG23 28J 12 -3.547 10.706 4.553
105 H26 28J 12 HG12 28J 12 -1.318 9.802 5.255
106 H27 28J 12 HG13 28J 12 -0.452 10.485 6.669
107 H28 28J 12 HD13 28J 12 -1.056 8.421 7.602
108 H29 28J 12 HD11 28J 12 -2.524 9.346 8.039
109 H30 28J 12 HD12 28J 12 -2.547 8.273 6.597
110 H ALA 13 H ALA 13 -3.499 13.422 7.321
111 HA ALA 13 HA ALA 13 -4.287 15.700 5.627
112 HB1 ALA 13 HB1 ALA 13 -5.978 13.595 6.877
113 HB2 ALA 13 HB2 ALA 13 -6.618 15.236 6.765
114 HB3 ALA 13 HB3 ALA 13 -6.126 14.379 5.304
Start of MODEL 16
1 H1 4N3 1 H DVA 1 2.121 2.060 -2.682
2 HA 4N3 1 HA DVA 1 4.672 1.940 -1.206
3 HB 4N3 1 HB DVA 1 2.830 2.502 0.307
4 HG13 4N3 1 HG13 DVA 1 2.401 5.044 -1.226
5 HG11 4N3 1 HG11 DVA 1 1.386 4.313 0.017
6 HG12 4N3 1 HG12 DVA 1 1.477 3.585 -1.587
7 HG22 4N3 1 HG22 DVA 1 4.057 4.023 1.437
8 HG23 4N3 1 HG23 DVA 1 4.144 5.128 0.065
9 HG21 4N3 1 HG21 DVA 1 5.223 3.736 0.146
10 HD2 4N3 1 HD2 DVA 1 2.717 -1.481 -1.208
11 HD1 4N3 1 HD1 DVA 1 2.339 -0.001 -0.294
12 HE1 4N3 1 HE1 DVA 1 0.219 -0.998 -0.917
13 HE2 4N3 1 HE2 DVA 1 0.450 0.416 -1.972
14 HF2 4N3 1 HF2 DVA 1 1.604 -1.344 -3.590
15 HF1 4N3 1 HF1 DVA 1 -0.173 -1.235 -3.530
16 HH1 4N3 1 HH1 DVA 1 0.152 -3.019 -1.547
17 HH2 4N3 1 HH2 DVA 1 1.657 -3.365 -2.430
18 HI1 4N3 1 HI1 DVA 1 -0.394 -4.749 -3.137
19 HI2 4N3 1 HI2 DVA 1 -1.063 -3.241 -3.807
20 HJ1 4N3 1 HJ1 DVA 1 1.298 -4.868 -4.733
21 HJ2 4N3 1 HJ2 DVA 1 1.374 -3.101 -4.937
22 HK3 4N3 1 HK3 DVA 1 -0.936 -4.861 -5.897
23 HK2 4N3 1 HK2 DVA 1 0.383 -4.272 -6.937
24 HK1 4N3 1 HK1 DVA 1 -0.744 -3.115 -6.188
25 H1 4FO 2 H 4FO 2 6.283 3.121 -1.919
26 HA 4FO 2 HA 4FO 2 5.864 5.087 -4.190
27 HB2 4FO 2 HB2 4FO 2 7.611 3.463 -4.668
28 HB3 4FO 2 HB3 4FO 2 8.341 5.063 -4.363
29 HG3 4FO 2 HG3 4FO 2 8.309 2.918 -2.130
30 HG2 4FO 2 HG2 4FO 2 9.307 4.407 -2.282
31 HZ3 4FO 2 HZ3 4FO 2 10.330 3.372 -4.340
32 HZ2 4FO 2 HZ1 4FO 2 10.687 2.563 -2.852
33 HZ1 4FO 2 HZ2 4FO 2 9.541 1.940 -3.934
34 H GLY 3 H GLY 3 6.463 4.990 -0.775
35 HA2 GLY 3 HA2 GLY 3 6.823 7.912 -0.857
36 HA3 GLY 3 HA3 GLY 3 6.131 7.012 0.485
37 H DSN 4 H DSN 4 7.895 5.102 1.059
38 HA DSN 4 HA DSN 4 10.440 6.519 1.502
39 HB2 DSN 4 HB2 DSN 4 11.441 4.246 1.781
40 HB3 DSN 4 HB3 DSN 4 10.781 4.526 0.170
41 HG DSN 4 HG DSN 4 9.297 3.265 2.222
42 H DTR 5 H DTR 5 7.920 4.563 2.976
43 HA DTR 5 HA DTR 5 9.097 4.357 5.542
44 HB2 DTR 5 HB2 DTR 5 7.149 3.313 6.186
45 HB3 DTR 5 HB3 DTR 5 7.041 3.110 4.440
46 HD1 DTR 5 HD1 DTR 5 5.788 5.679 3.413
47 HE1 DTR 5 HE1 DTR 5 3.439 6.452 4.127
48 HZ2 DTR 5 HZ2 DTR 5 1.646 6.012 6.262
49 HH2 DTR 5 HH2 DTR 5 1.482 4.739 8.357
50 HZ3 DTR 5 HZ3 DTR 5 3.304 3.296 9.105
51 HE3 DTR 5 HE3 DTR 5 5.369 3.065 7.786
52 H SER 6 H SER 6 7.549 5.246 7.455
53 HA SER 6 HA SER 6 6.766 8.001 7.028
54 HB2 SER 6 HB2 SER 6 5.303 7.267 8.590
55 HB3 SER 6 HB3 SER 6 6.373 5.967 9.114
56 HG SER 6 HG SER 6 5.860 8.075 10.463
57 H DAB 7 H DAB 7 8.467 9.273 6.664
58 HA DAB 7 HA DAB 7 10.600 9.487 8.835
59 HB2 DAB 7 HB2 DAB 7 11.809 10.829 6.841
60 HB3 DAB 7 HB3 DAB 7 10.700 9.883 5.813
61 HG2 DAB 7 HG2 DAB 7 12.836 8.762 5.816
62 HG3 DAB 7 HG3 DAB 7 11.715 7.711 6.754
63 HD1 DAB 7 HZ3 DAB 7 14.201 8.922 7.542
64 HD2 DAB 7 HZ2 DAB 7 12.975 9.527 8.528
65 HZ1 DAB 7 HZ1 DAB 7 13.196 7.847 8.455
66 H1 4FO 8 H 4FO 8 8.242 11.148 6.795
67 HA 4FO 8 HA 4FO 8 8.906 13.812 8.095
68 HB2 4FO 8 HB2 4FO 8 6.397 14.277 8.217
69 HB3 4FO 8 HB3 4FO 8 6.112 12.571 7.777
70 HG3 4FO 8 HG3 4FO 8 7.500 12.003 10.015
71 HG2 4FO 8 HG2 4FO 8 5.770 12.496 10.070
72 HZ3 4FO 8 HZ3 4FO 8 8.116 13.991 11.018
73 HZ2 4FO 8 HZ1 4FO 8 6.835 14.909 10.299
74 HZ1 4FO 8 HZ2 4FO 8 6.543 13.876 11.611
75 H PHE 9 H PHE 9 6.473 12.590 5.737
76 HA PHE 9 HA PHE 9 7.472 14.661 3.895
77 HB2 PHE 9 HB2 PHE 9 7.039 13.177 2.019
78 HB3 PHE 9 HB3 PHE 9 8.130 12.391 3.155
79 HD1 PHE 9 HD1 PHE 9 7.102 10.746 4.824
80 HD2 PHE 9 HD2 PHE 9 5.092 12.119 1.332
81 HE1 PHE 9 HE1 PHE 9 5.592 8.806 4.934
82 HE2 PHE 9 HE2 PHE 9 3.579 10.183 1.437
83 HZ PHE 9 HZ PHE 9 3.826 8.524 3.240
84 H GLU 10 H GLU 10 5.331 14.900 5.798
85 HA GLU 10 HA GLU 10 3.225 15.750 5.924
86 HB2 GLU 10 HB2 GLU 10 4.138 17.052 3.910
87 HB3 GLU 10 HB3 GLU 10 3.210 15.935 2.919
88 HG2 GLU 10 HG2 GLU 10 1.707 17.626 3.115
89 HG3 GLU 10 HG3 GLU 10 1.254 16.660 4.517
90 H VAL 11 H VAL 11 3.018 13.274 6.383
91 HA VAL 11 HA VAL 11 1.663 11.656 4.486
92 HB VAL 11 HB VAL 11 1.186 10.153 6.360
93 HG11 VAL 11 HG11 VAL 11 3.287 9.714 5.528
94 HG12 VAL 11 HG12 VAL 11 3.925 11.287 6.012
95 HG13 VAL 11 HG13 VAL 11 3.648 10.036 7.224
96 HG21 VAL 11 HG21 VAL 11 2.310 10.949 8.598
97 HG22 VAL 11 HG22 VAL 11 1.951 12.551 7.954
98 HG23 VAL 11 HG23 VAL 11 0.646 11.393 8.214
99 H20 28J 12 H 28J 12 -0.411 11.362 4.036
100 H21 28J 12 HA 28J 12 -2.782 11.600 4.080
101 H22 28J 12 HB 28J 12 -3.480 13.835 3.717
102 H23 28J 12 HG21 28J 12 -2.397 15.860 4.581
103 H24 28J 12 HG22 28J 12 -2.546 14.741 5.959
104 H25 28J 12 HG23 28J 12 -0.958 14.942 5.143
105 H26 28J 12 HG12 28J 12 -0.493 13.931 2.951
106 H27 28J 12 HG13 28J 12 -1.664 12.826 2.162
107 H28 28J 12 HD13 28J 12 -1.173 15.610 1.509
108 H29 28J 12 HD11 28J 12 -2.362 14.490 0.777
109 H30 28J 12 HD12 28J 12 -2.846 15.511 2.175
110 H ALA 13 H ALA 13 -4.451 13.306 5.371
111 HA ALA 13 HA ALA 13 -4.245 12.342 8.150
112 HB1 ALA 13 HB1 ALA 13 -4.058 14.856 7.771
113 HB2 ALA 13 HB2 ALA 13 -5.771 14.801 7.353
114 HB3 ALA 13 HB3 ALA 13 -5.239 14.305 8.959
Start of MODEL 17
1 H1 4N3 1 H DVA 1 3.385 2.441 -2.136
2 HA 4N3 1 HA DVA 1 3.830 2.690 0.738
3 HB 4N3 1 HB DVA 1 1.652 3.742 0.404
4 HG13 4N3 1 HG13 DVA 1 2.700 5.961 -1.221
5 HG11 4N3 1 HG11 DVA 1 1.130 5.159 -1.267
6 HG12 4N3 1 HG12 DVA 1 2.520 4.421 -2.064
7 HG22 4N3 1 HG22 DVA 1 2.133 5.413 1.826
8 HG23 4N3 1 HG23 DVA 1 3.274 6.165 0.711
9 HG21 4N3 1 HG21 DVA 1 3.786 4.810 1.716
10 HD2 4N3 1 HD2 DVA 1 4.610 0.168 -0.785
11 HD1 4N3 1 HD1 DVA 1 3.612 -0.129 0.657
12 HE1 4N3 1 HE1 DVA 1 2.056 -1.509 -0.818
13 HE2 4N3 1 HE2 DVA 1 3.254 -1.344 -2.124
14 HF2 4N3 1 HF2 DVA 1 3.394 -3.478 -0.633
15 HF1 4N3 1 HF1 DVA 1 4.039 -2.394 0.623
16 HH1 4N3 1 HH1 DVA 1 5.739 -1.595 -1.140
17 HH2 4N3 1 HH2 DVA 1 5.209 -2.973 -2.134
18 HI1 4N3 1 HI1 DVA 1 7.249 -3.449 -0.684
19 HI2 4N3 1 HI2 DVA 1 6.202 -3.250 0.743
20 HJ1 4N3 1 HJ1 DVA 1 5.730 -5.254 -1.519
21 HJ2 4N3 1 HJ2 DVA 1 4.735 -5.075 -0.055
22 HK3 4N3 1 HK3 DVA 1 6.975 -5.469 1.245
23 HK2 4N3 1 HK2 DVA 1 7.585 -6.106 -0.301
24 HK1 4N3 1 HK1 DVA 1 6.187 -6.875 0.490
25 H1 4FO 2 H 4FO 2 5.727 3.510 1.198
26 HA 4FO 2 HA 4FO 2 7.039 5.547 -0.590
27 HB2 4FO 2 HB2 4FO 2 7.989 3.430 -1.452
28 HB3 4FO 2 HB3 4FO 2 9.195 4.414 -0.580
29 HG3 4FO 2 HG3 4FO 2 7.869 1.841 0.555
30 HG2 4FO 2 HG2 4FO 2 9.042 2.902 1.413
31 HZ3 4FO 2 HZ3 4FO 2 10.786 2.093 0.274
32 HZ2 4FO 2 HZ1 4FO 2 9.746 0.774 -0.145
33 HZ1 4FO 2 HZ2 4FO 2 9.971 2.082 -1.200
34 H GLY 3 H GLY 3 7.310 3.642 2.448
35 HA2 GLY 3 HA2 GLY 3 7.477 5.976 4.036
36 HA3 GLY 3 HA3 GLY 3 7.850 4.343 4.568
37 H DSN 4 H DSN 4 9.902 3.872 5.029
38 HA DSN 4 HA DSN 4 12.117 5.051 3.665
39 HB2 DSN 4 HB2 DSN 4 11.922 3.285 6.109
40 HB3 DSN 4 HB3 DSN 4 13.459 3.848 5.454
41 HG DSN 4 HG DSN 4 12.868 2.831 3.471
42 H DTR 5 H DTR 5 10.329 5.788 6.541
43 HA DTR 5 HA DTR 5 12.230 7.960 7.137
44 HB2 DTR 5 HB2 DTR 5 12.076 7.577 9.377
45 HB3 DTR 5 HB3 DTR 5 11.694 5.945 8.834
46 HD1 DTR 5 HD1 DTR 5 8.769 5.831 8.289
47 HE1 DTR 5 HE1 DTR 5 6.965 6.426 10.026
48 HZ2 DTR 5 HZ2 DTR 5 6.760 7.930 12.406
49 HH2 DTR 5 HH2 DTR 5 8.144 9.321 13.884
50 HZ3 DTR 5 HZ3 DTR 5 10.503 9.719 13.400
51 HE3 DTR 5 HE3 DTR 5 11.579 8.741 11.415
52 H SER 6 H SER 6 11.004 9.687 8.573
53 HA SER 6 HA SER 6 8.303 10.149 7.552
54 HB2 SER 6 HB2 SER 6 9.895 11.303 9.828
55 HB3 SER 6 HB3 SER 6 8.450 12.120 9.232
56 HG SER 6 HG SER 6 7.502 9.865 9.507
57 H DAB 7 H DAB 7 8.949 10.619 5.415
58 HA DAB 7 HA DAB 7 10.100 13.418 5.025
59 HB2 DAB 7 HB2 DAB 7 10.597 12.691 2.656
60 HB3 DAB 7 HB3 DAB 7 9.990 11.062 3.054
61 HG2 DAB 7 HG2 DAB 7 11.901 10.419 4.197
62 HG3 DAB 7 HG3 DAB 7 12.354 12.080 4.719
63 HD1 DAB 7 HZ3 DAB 7 13.743 12.137 2.938
64 HD2 DAB 7 HZ2 DAB 7 13.278 10.566 2.543
65 HZ1 DAB 7 HZ1 DAB 7 12.436 11.856 1.837
66 H1 4FO 8 H 4FO 8 7.274 12.064 5.494
67 HA 4FO 8 HA 4FO 8 5.762 13.879 3.625
68 HB2 4FO 8 HB2 4FO 8 3.751 12.758 4.948
69 HB3 4FO 8 HB3 4FO 8 5.028 12.121 6.019
70 HG3 4FO 8 HG3 4FO 8 5.709 14.450 6.689
71 HG2 4FO 8 HG2 4FO 8 3.965 14.125 6.992
72 HZ3 4FO 8 HZ3 4FO 8 3.744 15.203 4.567
73 HZ2 4FO 8 HZ1 4FO 8 3.811 16.163 6.007
74 HZ1 4FO 8 HZ2 4FO 8 5.184 15.941 5.037
75 H PHE 9 H PHE 9 4.944 10.532 4.596
76 HA PHE 9 HA PHE 9 4.479 9.987 1.739
77 HB2 PHE 9 HB2 PHE 9 5.146 7.665 2.114
78 HB3 PHE 9 HB3 PHE 9 6.453 8.761 2.552
79 HD1 PHE 9 HD1 PHE 9 6.807 9.296 4.993
80 HD2 PHE 9 HD2 PHE 9 4.285 6.137 3.658
81 HE1 PHE 9 HE1 PHE 9 6.933 8.258 7.221
82 HE2 PHE 9 HE2 PHE 9 4.406 5.095 5.884
83 HZ PHE 9 HZ PHE 9 5.730 6.156 7.669
84 H GLU 10 H GLU 10 3.493 9.389 5.064
85 HA GLU 10 HA GLU 10 0.891 8.442 4.054
86 HB2 GLU 10 HB2 GLU 10 2.478 6.885 5.472
87 HB3 GLU 10 HB3 GLU 10 1.820 7.800 6.821
88 HG2 GLU 10 HG2 GLU 10 -0.422 7.131 6.237
89 HG3 GLU 10 HG3 GLU 10 0.170 6.305 4.797
90 H VAL 11 H VAL 11 2.253 9.799 7.062
91 HA VAL 11 HA VAL 11 -0.095 10.984 7.976
92 HB VAL 11 HB VAL 11 1.808 10.715 9.443
93 HG11 VAL 11 HG11 VAL 11 3.451 12.918 8.686
94 HG12 VAL 11 HG12 VAL 11 3.876 11.210 8.807
95 HG13 VAL 11 HG13 VAL 11 3.244 11.857 7.292
96 HG21 VAL 11 HG21 VAL 11 1.454 12.594 10.689
97 HG22 VAL 11 HG22 VAL 11 1.610 13.677 9.305
98 HG23 VAL 11 HG23 VAL 11 0.124 12.757 9.542
99 H20 28J 12 H 28J 12 -1.315 12.413 7.020
100 H21 28J 12 HA 28J 12 -0.302 14.153 4.854
101 H22 28J 12 HB 28J 12 0.288 15.452 6.963
102 H23 28J 12 HG21 28J 12 -1.781 16.720 5.019
103 H24 28J 12 HG22 28J 12 -0.681 17.637 6.080
104 H25 28J 12 HG23 28J 12 -0.004 16.609 4.771
105 H26 28J 12 HG12 28J 12 -1.871 16.693 7.934
106 H27 28J 12 HG13 28J 12 -2.744 15.247 7.332
107 H28 28J 12 HD13 28J 12 -1.695 13.773 8.883
108 H29 28J 12 HD11 28J 12 -0.252 14.816 9.067
109 H30 28J 12 HD12 28J 12 -1.800 15.295 9.846
110 H ALA 13 H ALA 13 -1.854 15.093 3.613
111 HA ALA 13 HA ALA 13 -4.643 14.785 4.118
112 HB1 ALA 13 HB1 ALA 13 -3.996 15.114 1.319
113 HB2 ALA 13 HB2 ALA 13 -4.852 16.200 2.415
114 HB3 ALA 13 HB3 ALA 13 -3.091 16.239 2.332
Start of MODEL 18
1 H1 4N3 1 H DVA 1 1.521 1.749 -1.002
2 HA 4N3 1 HA DVA 1 4.054 1.308 -0.132
3 HB 4N3 1 HB DVA 1 2.283 2.468 1.172
4 HG13 4N3 1 HG13 DVA 1 1.606 4.607 0.793
5 HG11 4N3 1 HG11 DVA 1 2.022 4.158 -0.861
6 HG12 4N3 1 HG12 DVA 1 3.158 5.096 0.110
7 HG22 4N3 1 HG22 DVA 1 3.833 3.195 2.622
8 HG23 4N3 1 HG23 DVA 1 4.514 4.341 1.468
9 HG21 4N3 1 HG21 DVA 1 4.996 2.646 1.416
10 HD2 4N3 1 HD2 DVA 1 4.386 0.028 -3.072
11 HD1 4N3 1 HD1 DVA 1 3.520 -0.550 -1.629
12 HE1 4N3 1 HE1 DVA 1 2.930 -2.164 -3.255
13 HE2 4N3 1 HE2 DVA 1 1.557 -1.035 -3.324
14 HF2 4N3 1 HF2 DVA 1 3.945 -1.180 -5.221
15 HF1 4N3 1 HF1 DVA 1 2.804 0.187 -5.199
16 HH1 4N3 1 HH1 DVA 1 1.996 -1.324 -6.895
17 HH2 4N3 1 HH2 DVA 1 0.928 -1.551 -5.489
18 HI1 4N3 1 HI1 DVA 1 2.797 -3.399 -4.868
19 HI2 4N3 1 HI2 DVA 1 1.420 -3.779 -5.931
20 HJ1 4N3 1 HJ1 DVA 1 3.105 -2.816 -7.805
21 HJ2 4N3 1 HJ2 DVA 1 3.147 -4.521 -7.297
22 HK3 4N3 1 HK3 DVA 1 4.782 -3.464 -5.402
23 HK2 4N3 1 HK2 DVA 1 5.083 -2.302 -6.716
24 HK1 4N3 1 HK1 DVA 1 5.387 -4.037 -6.976
25 H1 4FO 2 H 4FO 2 6.044 2.224 -0.262
26 HA 4FO 2 HA 4FO 2 6.654 3.927 -2.687
27 HB2 4FO 2 HB2 4FO 2 8.215 2.153 -2.594
28 HB3 4FO 2 HB3 4FO 2 9.065 3.547 -1.875
29 HG3 4FO 2 HG3 4FO 2 8.337 2.475 0.488
30 HG2 4FO 2 HG2 4FO 2 9.736 1.843 -0.452
31 HZ3 4FO 2 HZ3 4FO 2 8.767 -0.142 -0.273
32 HZ2 4FO 2 HZ1 4FO 2 7.218 0.504 0.155
33 HZ1 4FO 2 HZ2 4FO 2 7.701 0.387 -1.466
34 H GLY 3 H GLY 3 7.026 4.016 0.882
35 HA2 GLY 3 HA2 GLY 3 7.268 6.941 0.611
36 HA3 GLY 3 HA3 GLY 3 6.641 6.107 2.024
37 H DSN 4 H DSN 4 8.287 4.571 3.066
38 HA DSN 4 HA DSN 4 10.943 5.848 3.044
39 HB2 DSN 4 HB2 DSN 4 10.282 3.018 3.890
40 HB3 DSN 4 HB3 DSN 4 11.890 3.728 3.747
41 HG DSN 4 HG DSN 4 10.902 2.386 1.923
42 H DTR 5 H DTR 5 8.260 4.772 4.983
43 HA DTR 5 HA DTR 5 9.619 5.356 7.482
44 HB2 DTR 5 HB2 DTR 5 7.853 4.320 8.552
45 HB3 DTR 5 HB3 DTR 5 7.820 3.500 6.993
46 HD1 DTR 5 HD1 DTR 5 6.185 5.357 5.195
47 HE1 DTR 5 HE1 DTR 5 3.717 5.902 5.682
48 HZ2 DTR 5 HZ2 DTR 5 1.960 5.874 7.890
49 HH2 DTR 5 HH2 DTR 5 1.951 5.340 10.288
50 HZ3 DTR 5 HZ3 DTR 5 3.969 4.554 11.415
51 HE3 DTR 5 HE3 DTR 5 6.083 4.269 10.189
52 H SER 6 H SER 6 7.902 6.556 9.082
53 HA SER 6 HA SER 6 6.634 8.835 7.862
54 HB2 SER 6 HB2 SER 6 5.762 9.307 9.968
55 HB3 SER 6 HB3 SER 6 5.968 7.557 10.046
56 HG SER 6 HG SER 6 7.473 7.798 11.507
57 H DAB 7 H DAB 7 7.748 10.451 7.096
58 HA DAB 7 HA DAB 7 9.902 11.733 8.808
59 HB2 DAB 7 HB2 DAB 7 11.352 12.150 6.922
60 HB3 DAB 7 HB3 DAB 7 10.092 11.651 5.761
61 HG2 DAB 7 HG2 DAB 7 10.537 9.377 5.963
62 HG3 DAB 7 HG3 DAB 7 11.197 9.483 7.634
63 HD1 DAB 7 HZ3 DAB 7 13.253 9.597 6.703
64 HD2 DAB 7 HZ2 DAB 7 12.548 9.423 5.183
65 HZ1 DAB 7 HZ1 DAB 7 12.825 10.990 5.767
66 H1 4FO 8 H 4FO 8 6.914 12.034 7.784
67 HA 4FO 8 HA 4FO 8 6.852 15.000 7.759
68 HB2 4FO 8 HB2 4FO 8 4.421 14.751 7.460
69 HB3 4FO 8 HB3 4FO 8 4.623 13.048 6.967
70 HG3 4FO 8 HG3 4FO 8 3.710 13.605 9.424
71 HG2 4FO 8 HG2 4FO 8 5.448 13.889 9.793
72 HZ3 4FO 8 HZ3 4FO 8 6.005 11.697 9.516
73 HZ2 4FO 8 HZ1 4FO 8 4.366 11.485 10.033
74 HZ1 4FO 8 HZ2 4FO 8 4.786 11.393 8.393
75 H PHE 9 H PHE 9 5.547 12.736 5.285
76 HA PHE 9 HA PHE 9 6.340 14.735 3.277
77 HB2 PHE 9 HB2 PHE 9 7.039 12.999 1.753
78 HB3 PHE 9 HB3 PHE 9 7.901 12.789 3.274
79 HD1 PHE 9 HD1 PHE 9 6.684 11.171 4.986
80 HD2 PHE 9 HD2 PHE 9 6.127 11.143 0.766
81 HE1 PHE 9 HE1 PHE 9 5.904 8.841 5.108
82 HE2 PHE 9 HE2 PHE 9 5.344 8.813 0.881
83 HZ PHE 9 HZ PHE 9 5.231 7.659 3.054
84 H GLU 10 H GLU 10 4.195 12.084 4.162
85 HA GLU 10 HA GLU 10 2.080 13.312 2.576
86 HB2 GLU 10 HB2 GLU 10 3.079 10.497 2.191
87 HB3 GLU 10 HB3 GLU 10 1.445 10.971 1.746
88 HG2 GLU 10 HG2 GLU 10 2.205 12.445 0.088
89 HG3 GLU 10 HG3 GLU 10 3.855 12.421 0.709
90 H VAL 11 H VAL 11 1.351 13.844 4.727
91 HA VAL 11 HA VAL 11 -0.068 11.596 5.990
92 HB VAL 11 HB VAL 11 0.315 12.584 8.200
93 HG11 VAL 11 HG11 VAL 11 1.832 10.848 7.361
94 HG12 VAL 11 HG12 VAL 11 2.887 12.099 6.698
95 HG13 VAL 11 HG13 VAL 11 2.656 11.971 8.442
96 HG21 VAL 11 HG21 VAL 11 2.224 14.313 8.298
97 HG22 VAL 11 HG22 VAL 11 1.831 14.621 6.607
98 HG23 VAL 11 HG23 VAL 11 0.610 14.869 7.855
99 H20 28J 12 H 28J 12 -1.268 13.078 4.097
100 H21 28J 12 HA 28J 12 -3.336 14.198 3.720
101 H22 28J 12 HB 28J 12 -3.168 16.546 3.988
102 H23 28J 12 HG21 28J 12 -2.743 16.428 6.560
103 H24 28J 12 HG22 28J 12 -1.010 16.236 6.195
104 H25 28J 12 HG23 28J 12 -1.867 17.730 5.684
105 H26 28J 12 HG12 28J 12 -0.251 15.521 3.893
106 H27 28J 12 HG13 28J 12 -1.416 15.437 2.533
107 H28 28J 12 HD13 28J 12 -1.653 18.101 2.923
108 H29 28J 12 HD11 28J 12 -0.073 17.910 3.743
109 H30 28J 12 HD12 28J 12 -0.244 17.427 2.019
110 H ALA 13 H ALA 13 -4.743 16.038 5.108
111 HA ALA 13 HA ALA 13 -5.383 15.429 7.748
112 HB1 ALA 13 HB1 ALA 13 -7.693 16.349 7.075
113 HB2 ALA 13 HB2 ALA 13 -6.291 17.411 6.938
114 HB3 ALA 13 HB3 ALA 13 -6.953 16.635 5.499
Start of MODEL 19
1 H1 4N3 1 H DVA 1 0.480 2.157 0.595
2 HA 4N3 1 HA DVA 1 3.071 0.898 1.120
3 HB 4N3 1 HB DVA 1 1.862 1.925 3.019
4 HG13 4N3 1 HG13 DVA 1 2.460 4.597 1.780
5 HG11 4N3 1 HG11 DVA 1 1.462 4.236 3.188
6 HG12 4N3 1 HG12 DVA 1 0.905 3.788 1.575
7 HG22 4N3 1 HG22 DVA 1 3.769 2.709 4.031
8 HG23 4N3 1 HG23 DVA 1 4.284 3.614 2.608
9 HG21 4N3 1 HG21 DVA 1 4.460 1.860 2.649
10 HD2 4N3 1 HD2 DVA 1 0.336 -0.453 1.759
11 HD1 4N3 1 HD1 DVA 1 -0.609 -1.042 0.371
12 HE1 4N3 1 HE1 DVA 1 1.430 -2.287 -0.431
13 HE2 4N3 1 HE2 DVA 1 2.286 -1.768 1.041
14 HF2 4N3 1 HF2 DVA 1 -0.085 -3.654 0.785
15 HF1 4N3 1 HF1 DVA 1 0.252 -2.817 2.320
16 HH1 4N3 1 HH1 DVA 1 2.478 -4.288 0.881
17 HH2 4N3 1 HH2 DVA 1 1.323 -5.193 1.888
18 HI1 4N3 1 HI1 DVA 1 2.651 -2.699 2.988
19 HI2 4N3 1 HI2 DVA 1 1.989 -4.098 3.867
20 HJ1 4N3 1 HJ1 DVA 1 4.354 -4.421 1.987
21 HJ2 4N3 1 HJ2 DVA 1 3.852 -5.469 3.335
22 HK3 4N3 1 HK3 DVA 1 4.350 -2.761 4.298
23 HK2 4N3 1 HK2 DVA 1 5.772 -3.370 3.417
24 HK1 4N3 1 HK1 DVA 1 5.122 -4.285 4.798
25 H1 4FO 2 H 4FO 2 4.853 1.411 0.102
26 HA 4FO 2 HA 4FO 2 4.986 3.344 -2.123
27 HB2 4FO 2 HB2 4FO 2 6.446 1.431 -2.283
28 HB3 4FO 2 HB3 4FO 2 7.450 2.885 -2.031
29 HG3 4FO 2 HG3 4FO 2 7.946 0.536 -0.708
30 HG2 4FO 2 HG2 4FO 2 6.770 1.263 0.446
31 HZ3 4FO 2 HZ3 4FO 2 8.410 3.378 -0.009
32 HZ2 4FO 2 HZ1 4FO 2 8.610 2.236 1.278
33 HZ1 4FO 2 HZ2 4FO 2 9.488 2.092 -0.165
34 H GLY 3 H GLY 3 6.211 3.399 1.254
35 HA2 GLY 3 HA2 GLY 3 6.435 6.323 0.936
36 HA3 GLY 3 HA3 GLY 3 6.118 5.500 2.456
37 H DSN 4 H DSN 4 8.533 6.512 0.189
38 HA DSN 4 HA DSN 4 10.793 6.718 0.339
39 HB2 DSN 4 HB2 DSN 4 11.979 4.784 0.712
40 HB3 DSN 4 HB3 DSN 4 10.367 4.095 0.518
41 HG DSN 4 HG DSN 4 10.852 3.255 2.402
42 H DTR 5 H DTR 5 8.955 7.757 2.486
43 HA DTR 5 HA DTR 5 11.071 8.410 4.402
44 HB2 DTR 5 HB2 DTR 5 10.086 7.368 6.116
45 HB3 DTR 5 HB3 DTR 5 8.891 6.711 5.002
46 HD1 DTR 5 HD1 DTR 5 6.559 8.110 4.761
47 HE1 DTR 5 HE1 DTR 5 5.347 9.625 6.452
48 HZ2 DTR 5 HZ2 DTR 5 5.952 11.012 8.835
49 HH2 DTR 5 HH2 DTR 5 7.838 11.411 10.359
50 HZ3 DTR 5 HZ3 DTR 5 10.031 10.424 9.941
51 HE3 DTR 5 HE3 DTR 5 10.431 8.993 7.980
52 H SER 6 H SER 6 10.674 10.379 5.600
53 HA SER 6 HA SER 6 8.464 12.067 4.883
54 HB2 SER 6 HB2 SER 6 9.144 12.525 7.043
55 HB3 SER 6 HB3 SER 6 10.853 12.311 6.663
56 HG SER 6 HG SER 6 9.216 14.550 6.340
57 H DAB 7 H DAB 7 8.351 12.815 2.899
58 HA DAB 7 HA DAB 7 10.374 14.786 1.963
59 HB2 DAB 7 HB2 DAB 7 10.395 13.663 -0.405
60 HB3 DAB 7 HB3 DAB 7 9.806 12.196 0.422
61 HG2 DAB 7 HG2 DAB 7 11.843 11.770 1.515
62 HG3 DAB 7 HG3 DAB 7 12.448 13.460 1.386
63 HD1 DAB 7 HZ3 DAB 7 12.211 11.378 -0.798
64 HD2 DAB 7 HZ2 DAB 7 12.489 13.009 -1.115
65 HZ1 DAB 7 HZ1 DAB 7 13.640 12.158 -0.208
66 H1 4FO 8 H 4FO 8 7.711 14.953 2.892
67 HA 4FO 8 HA 4FO 8 6.385 16.671 1.009
68 HB2 4FO 8 HB2 4FO 8 4.264 16.102 2.356
69 HB3 4FO 8 HB3 4FO 8 5.235 14.889 3.232
70 HG3 4FO 8 HG3 4FO 8 6.785 16.892 4.001
71 HG2 4FO 8 HG2 4FO 8 5.147 16.707 4.723
72 HZ3 4FO 8 HZ3 4FO 8 4.684 18.771 4.102
73 HZ2 4FO 8 HZ1 4FO 8 6.161 18.925 3.211
74 HZ1 4FO 8 HZ2 4FO 8 4.765 18.290 2.489
75 H PHE 9 H PHE 9 4.922 13.514 1.843
76 HA PHE 9 HA PHE 9 4.388 13.166 -1.033
77 HB2 PHE 9 HB2 PHE 9 4.306 10.754 -0.626
78 HB3 PHE 9 HB3 PHE 9 5.852 11.418 -0.106
79 HD1 PHE 9 HD1 PHE 9 6.253 11.802 2.334
80 HD2 PHE 9 HD2 PHE 9 2.892 9.635 0.877
81 HE1 PHE 9 HE1 PHE 9 5.932 10.808 4.562
82 HE2 PHE 9 HE2 PHE 9 2.565 8.638 3.102
83 HZ PHE 9 HZ PHE 9 4.085 9.225 4.949
84 H GLU 10 H GLU 10 2.788 14.712 0.826
85 HA GLU 10 HA GLU 10 0.594 15.074 1.306
86 HB2 GLU 10 HB2 GLU 10 -0.037 12.664 -0.394
87 HB3 GLU 10 HB3 GLU 10 -1.077 14.037 -0.043
88 HG2 GLU 10 HG2 GLU 10 0.635 15.456 -1.263
89 HG3 GLU 10 HG3 GLU 10 1.334 13.939 -1.825
90 H VAL 11 H VAL 11 1.699 14.038 3.371
91 HA VAL 11 HA VAL 11 0.855 11.470 4.202
92 HB VAL 11 HB VAL 11 1.567 12.102 6.423
93 HG11 VAL 11 HG11 VAL 11 3.714 11.977 5.839
94 HG12 VAL 11 HG12 VAL 11 3.172 12.130 4.167
95 HG13 VAL 11 HG13 VAL 11 3.672 13.562 5.067
96 HG21 VAL 11 HG21 VAL 11 0.897 14.756 5.493
97 HG22 VAL 11 HG22 VAL 11 1.107 14.161 7.140
98 HG23 VAL 11 HG23 VAL 11 2.505 14.711 6.217
99 H20 28J 12 H 28J 12 -0.285 11.496 6.546
100 H21 28J 12 HA 28J 12 -3.111 12.087 5.886
101 H22 28J 12 HB 28J 12 -2.177 14.258 6.938
102 H23 28J 12 HG21 28J 12 -4.555 12.886 8.396
103 H24 28J 12 HG22 28J 12 -4.280 14.638 8.224
104 H25 28J 12 HG23 28J 12 -4.647 13.647 6.770
105 H26 28J 12 HG12 28J 12 -2.413 12.768 9.615
106 H27 28J 12 HG13 28J 12 -0.865 12.794 8.710
107 H28 28J 12 HD13 28J 12 -0.439 15.028 9.212
108 H29 28J 12 HD11 28J 12 -2.151 15.510 9.018
109 H30 28J 12 HD12 28J 12 -1.613 14.740 10.551
110 H ALA 13 H ALA 13 -4.610 11.162 7.318
111 HA ALA 13 HA ALA 13 -3.566 9.098 9.106
112 HB1 ALA 13 HB1 ALA 13 -6.446 9.846 8.632
113 HB2 ALA 13 HB2 ALA 13 -5.783 8.899 9.965
114 HB3 ALA 13 HB3 ALA 13 -5.413 10.618 9.836
Start of MODEL 20
1 H1 4N3 1 H DVA 1 -0.121 0.784 2.305
2 HA 4N3 1 HA DVA 1 1.783 0.501 4.474
3 HB 4N3 1 HB DVA 1 -0.173 1.513 5.587
4 HG13 4N3 1 HG13 DVA 1 0.240 3.780 3.639
5 HG11 4N3 1 HG11 DVA 1 -0.877 3.779 5.003
6 HG12 4N3 1 HG12 DVA 1 -1.128 2.667 3.657
7 HG22 4N3 1 HG22 DVA 1 1.168 2.756 6.888
8 HG23 4N3 1 HG23 DVA 1 1.642 3.811 5.557
9 HG21 4N3 1 HG21 DVA 1 2.444 2.257 5.779
10 HD2 4N3 1 HD2 DVA 1 1.453 -1.946 3.821
11 HD1 4N3 1 HD1 DVA 1 -0.056 -2.861 3.597
12 HE1 4N3 1 HE1 DVA 1 0.845 -3.079 1.458
13 HE2 4N3 1 HE2 DVA 1 -0.054 -1.559 1.241
14 HF2 4N3 1 HF2 DVA 1 2.862 -1.635 2.140
15 HF1 4N3 1 HF1 DVA 1 1.937 -0.232 1.552
16 HH1 4N3 1 HH1 DVA 1 3.135 -0.825 -0.378
17 HH2 4N3 1 HH2 DVA 1 1.623 -1.732 -0.620
18 HI1 4N3 1 HI1 DVA 1 4.333 -2.760 0.294
19 HI2 4N3 1 HI2 DVA 1 2.845 -3.660 0.676
20 HJ1 4N3 1 HJ1 DVA 1 3.496 -2.743 -2.156
21 HJ2 4N3 1 HJ2 DVA 1 2.314 -3.970 -1.641
22 HK3 4N3 1 HK3 DVA 1 3.902 -5.609 -1.505
23 HK2 4N3 1 HK2 DVA 1 5.082 -4.524 -0.731
24 HK1 4N3 1 HK1 DVA 1 4.897 -4.520 -2.502
25 H1 4FO 2 H 4FO 2 3.601 1.718 4.266
26 HA 4FO 2 HA 4FO 2 3.783 3.715 1.982
27 HB2 4FO 2 HB2 4FO 2 4.804 1.421 1.346
28 HB3 4FO 2 HB3 4FO 2 5.812 2.885 1.182
29 HG3 4FO 2 HG3 4FO 2 6.600 0.456 2.450
30 HG2 4FO 2 HG2 4FO 2 6.242 1.573 3.815
31 HZ3 4FO 2 HZ3 4FO 2 7.891 3.046 3.217
32 HZ2 4FO 2 HZ1 4FO 2 8.612 1.567 2.675
33 HZ1 4FO 2 HZ2 4FO 2 7.855 2.623 1.586
34 H GLY 3 H GLY 3 6.481 4.353 2.387
35 HA2 GLY 3 HA2 GLY 3 6.505 6.455 4.008
36 HA3 GLY 3 HA3 GLY 3 6.708 5.163 5.181
37 H DSN 4 H DSN 4 8.040 5.337 1.910
38 HA DSN 4 HA DSN 4 10.178 5.364 1.130
39 HB2 DSN 4 HB2 DSN 4 11.622 3.812 2.056
40 HB3 DSN 4 HB3 DSN 4 10.090 3.273 2.741
41 HG DSN 4 HG DSN 4 12.054 3.645 4.171
42 H DTR 5 H DTR 5 9.169 7.631 2.731
43 HA DTR 5 HA DTR 5 11.658 9.047 2.957
44 HB2 DTR 5 HB2 DTR 5 11.782 9.407 5.227
45 HB3 DTR 5 HB3 DTR 5 11.128 7.771 5.214
46 HD1 DTR 5 HD1 DTR 5 8.125 8.109 4.932
47 HE1 DTR 5 HE1 DTR 5 6.705 9.371 6.669
48 HZ2 DTR 5 HZ2 DTR 5 7.090 11.315 8.679
49 HH2 DTR 5 HH2 DTR 5 8.882 12.665 9.679
50 HZ3 DTR 5 HZ3 DTR 5 11.187 12.491 8.892
51 HE3 DTR 5 HE3 DTR 5 11.796 10.956 7.068
52 H SER 6 H SER 6 11.054 11.328 4.084
53 HA SER 6 HA SER 6 8.394 12.223 3.368
54 HB2 SER 6 HB2 SER 6 8.913 13.475 5.181
55 HB3 SER 6 HB3 SER 6 10.648 13.267 4.945
56 HG SER 6 HG SER 6 9.564 15.456 4.613
57 H DAB 7 H DAB 7 8.101 12.241 1.234
58 HA DAB 7 HA DAB 7 9.509 14.389 -0.327
59 HB2 DAB 7 HB2 DAB 7 9.548 12.721 -2.368
60 HB3 DAB 7 HB3 DAB 7 9.411 11.436 -1.138
61 HG2 DAB 7 HG2 DAB 7 11.585 11.806 -0.259
62 HG3 DAB 7 HG3 DAB 7 11.762 13.440 -0.992
63 HD1 DAB 7 HZ3 DAB 7 12.689 12.433 -2.792
64 HD2 DAB 7 HZ2 DAB 7 12.591 10.964 -1.972
65 HZ1 DAB 7 HZ1 DAB 7 11.322 11.393 -3.011
66 H1 4FO 8 H 4FO 8 6.847 13.805 0.933
67 HA 4FO 8 HA 4FO 8 5.079 14.751 -1.258
68 HB2 4FO 8 HB2 4FO 8 3.252 14.372 0.544
69 HB3 4FO 8 HB3 4FO 8 4.564 13.832 1.627
70 HG3 4FO 8 HG3 4FO 8 4.652 16.675 0.411
71 HG2 4FO 8 HG2 4FO 8 5.510 16.002 1.843
72 HZ3 4FO 8 HZ3 4FO 8 2.598 15.868 2.078
73 HZ2 4FO 8 HZ1 4FO 8 3.799 16.431 3.192
74 HZ1 4FO 8 HZ2 4FO 8 3.226 17.427 1.945
75 H PHE 9 H PHE 9 4.416 11.960 0.886
76 HA PHE 9 HA PHE 9 3.658 10.471 -1.542
77 HB2 PHE 9 HB2 PHE 9 4.189 8.405 -0.310
78 HB3 PHE 9 HB3 PHE 9 5.592 9.460 -0.441
79 HD1 PHE 9 HD1 PHE 9 6.278 10.826 1.541
80 HD2 PHE 9 HD2 PHE 9 3.345 7.751 1.782
81 HE1 PHE 9 HE1 PHE 9 6.569 10.745 3.983
82 HE2 PHE 9 HE2 PHE 9 3.630 7.666 4.224
83 HZ PHE 9 HZ PHE 9 5.243 9.165 5.328
84 H GLU 10 H GLU 10 1.931 12.258 -0.139
85 HA GLU 10 HA GLU 10 -0.215 12.362 0.607
86 HB2 GLU 10 HB2 GLU 10 -0.367 9.386 0.136
87 HB3 GLU 10 HB3 GLU 10 -1.693 10.540 0.156
88 HG2 GLU 10 HG2 GLU 10 0.485 10.332 -1.908
89 HG3 GLU 10 HG3 GLU 10 -1.213 9.900 -2.107
90 H VAL 11 H VAL 11 1.371 12.518 2.627
91 HA VAL 11 HA VAL 11 0.464 10.533 4.608
92 HB VAL 11 HB VAL 11 2.922 10.593 4.257
93 HG11 VAL 11 HG11 VAL 11 4.237 12.471 4.812
94 HG12 VAL 11 HG12 VAL 11 2.941 13.085 3.783
95 HG13 VAL 11 HG13 VAL 11 2.867 13.316 5.530
96 HG21 VAL 11 HG21 VAL 11 1.700 10.107 6.484
97 HG22 VAL 11 HG22 VAL 11 3.445 10.359 6.507
98 HG23 VAL 11 HG23 VAL 11 2.359 11.660 6.998
99 H20 28J 12 H 28J 12 -0.749 11.157 6.233
100 H21 28J 12 HA 28J 12 -1.927 13.814 6.268
101 H22 28J 12 HB 28J 12 0.264 14.385 7.355
102 H23 28J 12 HG21 28J 12 -2.084 14.589 9.373
103 H24 28J 12 HG22 28J 12 -0.725 15.722 9.165
104 H25 28J 12 HG23 28J 12 -1.972 15.581 7.879
105 H26 28J 12 HG12 28J 12 -0.653 12.578 9.687
106 H27 28J 12 HG13 28J 12 0.525 12.067 8.435
107 H28 28J 12 HD13 28J 12 1.910 12.852 10.243
108 H29 28J 12 HD11 28J 12 1.911 14.210 9.077
109 H30 28J 12 HD12 28J 12 0.870 14.295 10.541
110 H ALA 13 H ALA 13 -3.888 13.538 6.682
111 HA ALA 13 HA ALA 13 -4.933 11.133 7.775
112 HB1 ALA 13 HB1 ALA 13 -4.294 12.001 9.898
113 HB2 ALA 13 HB2 ALA 13 -4.988 13.580 9.528
114 HB3 ALA 13 HB3 ALA 13 -6.043 12.186 9.758