Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615484 | 5h1i RC | 36024 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H CYS 1 HN CYS 1 1.024 -0.535 -1.221
2 HA CYS 1 HA CYS 1 -1.052 1.506 -1.190
3 HB2 CYS 1 HB2 CYS 1 0.258 0.521 -3.719
4 HB3 CYS 1 HB1 CYS 1 -1.399 1.114 -3.719
5 H LYS 2 HN LYS 2 -3.128 0.732 -1.665
6 HA LYS 2 HA LYS 2 -4.873 -0.706 -1.628
7 HB2 LYS 2 HB2 LYS 2 -2.920 -2.607 -2.939
8 HB3 LYS 2 HB1 LYS 2 -4.635 -2.936 -2.741
9 HG2 LYS 2 HG2 LYS 2 -5.142 -0.936 -4.099
10 HG3 LYS 2 HG1 LYS 2 -3.411 -0.702 -4.351
11 HD2 LYS 2 HD2 LYS 2 -3.271 -2.896 -5.428
12 HD3 LYS 2 HD1 LYS 2 -5.001 -3.133 -5.173
13 HE2 LYS 2 HE2 LYS 2 -5.471 -1.181 -6.572
14 HE3 LYS 2 HE1 LYS 2 -3.742 -0.948 -6.828
15 HZ1 LYS 2 HZ1 LYS 2 -3.647 -3.107 -7.909
16 HZ2 LYS 2 HZ2 LYS 2 -4.759 -2.098 -8.688
17 HZ3 LYS 2 HZ3 LYS 2 -5.307 -3.328 -7.666
18 H ARG 3 HN ARG 3 -5.796 -1.697 0.005
19 HA ARG 3 HA ARG 3 -4.207 -3.512 1.694
20 HB2 ARG 3 HB2 ARG 3 -5.932 -1.190 2.532
21 HB3 ARG 3 HB1 ARG 3 -5.612 -2.522 3.630
22 HG2 ARG 3 HG2 ARG 3 -3.195 -2.097 3.401
23 HG3 ARG 3 HG1 ARG 3 -3.563 -0.711 2.371
24 HD2 ARG 3 HD2 ARG 3 -4.756 0.361 4.185
25 HD3 ARG 3 HD1 ARG 3 -4.512 -1.050 5.214
26 HE ARG 3 HE ARG 3 -2.044 0.030 4.273
27 HH11 ARG 3 HH11 ARG 3 -4.526 0.487 6.716
28 HH12 ARG 3 HH12 ARG 3 -3.456 1.283 7.820
29 HH21 ARG 3 HH21 ARG 3 -0.661 1.072 5.735
30 HH22 ARG 3 HH22 ARG 3 -1.268 1.614 7.264
31 HA PRO 4 HA PRO 4 -7.355 -6.658 1.543
32 HB2 PRO 4 HB2 PRO 4 -8.006 -6.572 4.371
33 HB3 PRO 4 HB1 PRO 4 -7.153 -7.824 3.461
34 HG2 PRO 4 HG2 PRO 4 -6.060 -5.745 5.156
35 HG3 PRO 4 HG1 PRO 4 -5.263 -7.162 4.462
36 HD2 PRO 4 HD2 PRO 4 -4.739 -4.593 3.689
37 HD3 PRO 4 HD1 PRO 4 -4.490 -6.011 2.656
38 HA PRO 5 HA PRO 5 -11.322 -4.485 3.192
39 HB2 PRO 5 HB2 PRO 5 -10.685 -1.873 4.308
40 HB3 PRO 5 HB1 PRO 5 -11.468 -3.251 5.102
41 HG2 PRO 5 HG2 PRO 5 -9.008 -2.377 5.789
42 HG3 PRO 5 HG1 PRO 5 -9.509 -4.076 5.924
43 HD2 PRO 5 HD2 PRO 5 -7.888 -2.760 3.776
44 HD3 PRO 5 HD1 PRO 5 -7.617 -4.309 4.598
45 H GLY 6 HN GLY 6 -12.616 -3.540 1.721
46 HA2 GLY 6 HA2 GLY 6 -11.390 -1.687 -0.199
47 HA3 GLY 6 HA1 GLY 6 -12.837 -2.642 -0.472
48 H PHE 7 HN PHE 7 -11.941 -0.421 2.160
49 HA PHE 7 HA PHE 7 -14.126 1.374 1.379
50 HB2 PHE 7 HB2 PHE 7 -13.718 0.187 4.125
51 HB3 PHE 7 HB1 PHE 7 -14.727 1.598 3.827
52 HD1 PHE 7 HD1 PHE 7 -14.407 -2.017 3.414
53 HD2 PHE 7 HD2 PHE 7 -16.851 1.390 2.683
54 HE1 PHE 7 HE1 PHE 7 -16.308 -3.494 2.904
55 HE2 PHE 7 HE2 PHE 7 -18.756 -0.080 2.173
56 HZ PHE 7 HZ PHE 7 -18.485 -2.527 2.283
57 H SER 8 HN SER 8 -11.033 0.871 2.798
58 HA SER 8 HA SER 8 -10.603 3.784 2.961
59 HB2 SER 8 HB2 SER 8 -10.931 2.797 5.231
60 HB3 SER 8 HB1 SER 8 -9.527 1.769 4.950
61 HG SER 8 HG SER 8 -9.560 4.608 4.991
62 HA PRO 9 HA PRO 9 -7.059 1.356 0.776
63 HB2 PRO 9 HB2 PRO 9 -7.983 2.215 -1.858
64 HB3 PRO 9 HB1 PRO 9 -7.682 0.571 -1.270
65 HG2 PRO 9 HG2 PRO 9 -10.152 1.457 -1.838
66 HG3 PRO 9 HG1 PRO 9 -9.831 0.280 -0.547
67 HD2 PRO 9 HD2 PRO 9 -10.279 3.234 -0.329
68 HD3 PRO 9 HD1 PRO 9 -10.974 1.916 0.641
69 H LEU 10 HN LEU 10 -5.412 2.638 1.224
70 HA LEU 10 HA LEU 10 -5.030 5.101 -0.323
71 HB2 LEU 10 HB2 LEU 10 -4.822 4.832 2.678
72 HB3 LEU 10 HB1 LEU 10 -4.045 6.133 1.797
73 HG LEU 10 HG LEU 10 -6.549 6.440 0.876
74 HD11 LEU 10 HD11 LEU 10 -7.458 4.594 2.183
75 HD12 LEU 10 HD12 LEU 10 -8.139 6.135 2.705
76 HD13 LEU 10 HD13 LEU 10 -6.886 5.352 3.669
77 HD21 LEU 10 HD21 LEU 10 -5.188 8.177 1.885
78 HD22 LEU 10 HD22 LEU 10 -5.479 7.500 3.487
79 HD23 LEU 10 HD23 LEU 10 -6.814 8.195 2.569
80 H CYS 11 HN CYS 11 -2.617 5.930 0.344
81 HA CYS 11 HA CYS 11 -0.845 3.583 0.343
82 HB2 CYS 11 HB2 CYS 11 -0.603 5.995 -1.472
83 HB3 CYS 11 HB1 CYS 11 0.598 4.718 -1.330
84 H THR 12 HN THR 12 0.192 3.683 2.187
85 HA THR 12 HA THR 12 1.310 6.257 3.085
86 HB THR 12 HB THR 12 -0.233 5.559 4.752
87 HG1 THR 12 HG1 THR 12 2.040 4.554 6.009
88 HG21 THR 12 HG21 THR 12 -0.503 3.185 4.158
89 HG22 THR 12 HG22 THR 12 -0.167 3.358 5.880
90 HG23 THR 12 HG23 THR 12 1.110 2.837 4.781
91 H LYS 13 HN LYS 13 3.267 5.891 4.569
92 HA LYS 13 HA LYS 13 5.479 5.431 4.728
93 HB2 LYS 13 HB2 LYS 13 4.563 2.715 3.764
94 HB3 LYS 13 HB1 LYS 13 6.230 3.057 4.198
95 HG2 LYS 13 HG2 LYS 13 5.523 3.633 6.466
96 HG3 LYS 13 HG1 LYS 13 3.847 3.291 6.028
97 HD2 LYS 13 HD2 LYS 13 4.451 0.969 5.542
98 HD3 LYS 13 HD1 LYS 13 6.126 1.312 5.979
99 HE2 LYS 13 HE2 LYS 13 5.416 1.875 8.251
100 HE3 LYS 13 HE1 LYS 13 3.743 1.534 7.814
101 HZ1 LYS 13 HZ1 LYS 13 4.366 -0.759 7.374
102 HZ2 LYS 13 HZ2 LYS 13 4.754 -0.332 8.963
103 HZ3 LYS 13 HZ3 LYS 13 5.972 -0.429 7.793
104 H SER 14 HN SER 14 6.349 6.825 3.363
105 HA SER 14 HA SER 14 6.396 6.461 0.516
106 HB2 SER 14 HB2 SER 14 7.834 8.464 2.263
107 HB3 SER 14 HB1 SER 14 7.751 8.527 0.503
108 HG SER 14 HG SER 14 5.954 9.374 2.312
109 H ILE 15 HN ILE 15 8.389 5.291 3.029
110 HA ILE 15 HA ILE 15 10.330 4.374 1.064
111 HB ILE 15 HB ILE 15 11.355 6.416 1.867
112 HG12 ILE 15 HG12 ILE 15 13.452 5.338 3.047
113 HG13 ILE 15 HG11 ILE 15 12.643 3.829 2.637
114 HG21 ILE 15 HG21 ILE 15 12.054 6.748 4.192
115 HG22 ILE 15 HG22 ILE 15 11.178 5.290 4.652
116 HG23 ILE 15 HG23 ILE 15 10.300 6.681 4.019
117 HD11 ILE 15 HD11 ILE 15 12.641 4.472 0.282
118 HD12 ILE 15 HD12 ILE 15 14.273 4.445 0.949
119 HD13 ILE 15 HD13 ILE 15 13.451 5.984 0.696
120 HA PRO 16 HA PRO 16 10.061 2.632 0.231
121 HB2 PRO 16 HB2 PRO 16 8.768 0.039 0.241
122 HB3 PRO 16 HB1 PRO 16 10.415 0.432 -0.278
123 HG2 PRO 16 HG2 PRO 16 9.845 -1.098 1.903
124 HG3 PRO 16 HG1 PRO 16 11.330 -0.144 1.719
125 HD2 PRO 16 HD2 PRO 16 8.846 0.519 3.255
126 HD3 PRO 16 HD1 PRO 16 10.551 0.742 3.713
127 HA PRO 17 HA PRO 17 5.645 3.518 -0.160
128 HB2 PRO 17 HB2 PRO 17 5.242 2.621 -2.862
129 HB3 PRO 17 HB1 PRO 17 5.586 4.266 -2.302
130 HG2 PRO 17 HG2 PRO 17 7.326 2.812 -3.833
131 HG3 PRO 17 HG1 PRO 17 7.834 4.087 -2.707
132 HD2 PRO 17 HD2 PRO 17 7.780 1.116 -2.288
133 HD3 PRO 17 HD1 PRO 17 9.070 2.280 -1.904
134 H ILE 18 HN ILE 18 3.591 2.751 0.049
135 HA ILE 18 HA ILE 18 3.064 -0.079 -0.537
136 HB ILE 18 HB ILE 18 2.411 1.311 2.080
137 HG12 ILE 18 HG12 ILE 18 4.711 0.546 2.055
138 HG13 ILE 18 HG11 ILE 18 3.778 -0.491 3.120
139 HG21 ILE 18 HG21 ILE 18 0.520 -0.078 1.463
140 HG22 ILE 18 HG22 ILE 18 1.381 -0.796 2.824
141 HG23 ILE 18 HG23 ILE 18 1.587 -1.460 1.203
142 HD11 ILE 18 HD11 ILE 18 3.660 -2.133 1.184
143 HD12 ILE 18 HD12 ILE 18 5.239 -1.907 1.937
144 HD13 ILE 18 HD13 ILE 18 4.880 -1.131 0.394
Start of MODEL 2
1 H CYS 1 HN CYS 1 0.736 -0.747 -2.273
2 HA CYS 1 HA CYS 1 -1.047 1.333 -1.309
3 HB2 CYS 1 HB2 CYS 1 0.829 2.409 -2.744
4 HB3 CYS 1 HB1 CYS 1 0.018 1.646 -4.108
5 H LYS 2 HN LYS 2 -3.051 1.445 -2.461
6 HA LYS 2 HA LYS 2 -4.916 0.583 -3.399
7 HB2 LYS 2 HB2 LYS 2 -2.922 -0.777 -5.215
8 HB3 LYS 2 HB1 LYS 2 -4.660 -0.917 -5.430
9 HG2 LYS 2 HG2 LYS 2 -4.824 1.502 -5.729
10 HG3 LYS 2 HG1 LYS 2 -3.081 1.648 -5.499
11 HD2 LYS 2 HD2 LYS 2 -2.704 0.252 -7.476
12 HD3 LYS 2 HD1 LYS 2 -4.448 0.101 -7.702
13 HE2 LYS 2 HE2 LYS 2 -3.026 2.753 -7.661
14 HE3 LYS 2 HE1 LYS 2 -3.268 1.823 -9.139
15 HZ1 LYS 2 HZ1 LYS 2 -5.655 1.931 -8.771
16 HZ2 LYS 2 HZ2 LYS 2 -4.994 3.484 -8.849
17 HZ3 LYS 2 HZ3 LYS 2 -5.421 2.824 -7.351
18 H ARG 3 HN ARG 3 -5.831 -0.497 -1.781
19 HA ARG 3 HA ARG 3 -5.423 -3.407 -1.688
20 HB2 ARG 3 HB2 ARG 3 -5.558 -1.510 0.658
21 HB3 ARG 3 HB1 ARG 3 -5.854 -3.234 0.824
22 HG2 ARG 3 HG2 ARG 3 -3.321 -2.309 -0.454
23 HG3 ARG 3 HG1 ARG 3 -3.485 -2.238 1.300
24 HD2 ARG 3 HD2 ARG 3 -4.017 -4.632 1.342
25 HD3 ARG 3 HD1 ARG 3 -3.845 -4.699 -0.413
26 HE ARG 3 HE ARG 3 -1.481 -3.660 0.658
27 HH11 ARG 3 HH11 ARG 3 -3.221 -6.709 0.638
28 HH12 ARG 3 HH12 ARG 3 -1.785 -7.661 0.823
29 HH21 ARG 3 HH21 ARG 3 0.385 -4.925 0.899
30 HH22 ARG 3 HH22 ARG 3 0.253 -6.650 0.971
31 HA PRO 4 HA PRO 4 -9.871 -3.064 -2.625
32 HB2 PRO 4 HB2 PRO 4 -9.739 -5.978 -2.013
33 HB3 PRO 4 HB1 PRO 4 -10.443 -5.142 -3.408
34 HG2 PRO 4 HG2 PRO 4 -8.130 -6.438 -3.601
35 HG3 PRO 4 HG1 PRO 4 -8.438 -4.931 -4.487
36 HD2 PRO 4 HD2 PRO 4 -6.735 -5.394 -2.097
37 HD3 PRO 4 HD1 PRO 4 -6.547 -4.226 -3.418
38 HA PRO 5 HA PRO 5 -11.414 -4.685 1.601
39 HB2 PRO 5 HB2 PRO 5 -9.321 -5.664 3.314
40 HB3 PRO 5 HB1 PRO 5 -10.627 -6.590 2.560
41 HG2 PRO 5 HG2 PRO 5 -7.977 -6.882 1.939
42 HG3 PRO 5 HG1 PRO 5 -9.318 -7.305 0.856
43 HD2 PRO 5 HD2 PRO 5 -7.607 -4.850 0.870
44 HD3 PRO 5 HD1 PRO 5 -8.204 -5.805 -0.502
45 H GLY 6 HN GLY 6 -11.793 -2.565 2.116
46 HA2 GLY 6 HA2 GLY 6 -10.835 -1.521 4.496
47 HA3 GLY 6 HA1 GLY 6 -9.879 -0.788 3.214
48 H PHE 7 HN PHE 7 -10.754 0.749 1.931
49 HA PHE 7 HA PHE 7 -13.577 1.358 1.989
50 HB2 PHE 7 HB2 PHE 7 -11.539 3.255 3.153
51 HB3 PHE 7 HB1 PHE 7 -13.111 3.797 2.580
52 HD1 PHE 7 HD1 PHE 7 -15.171 3.034 3.725
53 HD2 PHE 7 HD2 PHE 7 -11.290 2.159 5.239
54 HE1 PHE 7 HE1 PHE 7 -16.151 2.504 5.919
55 HE2 PHE 7 HE2 PHE 7 -12.264 1.626 7.434
56 HZ PHE 7 HZ PHE 7 -14.697 1.798 7.777
57 H SER 8 HN SER 8 -10.471 2.799 1.123
58 HA SER 8 HA SER 8 -11.232 2.854 -1.682
59 HB2 SER 8 HB2 SER 8 -10.572 5.318 -0.045
60 HB3 SER 8 HB1 SER 8 -10.391 5.299 -1.799
61 HG SER 8 HG SER 8 -12.802 4.325 -0.960
62 HA PRO 9 HA PRO 9 -6.796 2.106 -2.061
63 HB2 PRO 9 HB2 PRO 9 -6.324 3.507 -4.535
64 HB3 PRO 9 HB1 PRO 9 -6.660 1.783 -4.311
65 HG2 PRO 9 HG2 PRO 9 -8.355 3.486 -5.591
66 HG3 PRO 9 HG1 PRO 9 -8.877 2.010 -4.754
67 HD2 PRO 9 HD2 PRO 9 -8.900 4.844 -3.775
68 HD3 PRO 9 HD1 PRO 9 -10.179 3.610 -3.673
69 H LEU 10 HN LEU 10 -5.590 3.104 -0.537
70 HA LEU 10 HA LEU 10 -4.295 5.635 -1.251
71 HB2 LEU 10 HB2 LEU 10 -5.659 5.093 1.390
72 HB3 LEU 10 HB1 LEU 10 -4.530 6.408 1.130
73 HG LEU 10 HG LEU 10 -6.278 6.935 -0.850
74 HD11 LEU 10 HD11 LEU 10 -8.554 6.605 -0.028
75 HD12 LEU 10 HD12 LEU 10 -7.930 5.687 1.343
76 HD13 LEU 10 HD13 LEU 10 -7.740 5.064 -0.296
77 HD21 LEU 10 HD21 LEU 10 -7.276 8.586 0.665
78 HD22 LEU 10 HD22 LEU 10 -5.522 8.510 0.836
79 HD23 LEU 10 HD23 LEU 10 -6.559 7.746 2.040
80 H CYS 11 HN CYS 11 -2.257 5.965 -0.299
81 HA CYS 11 HA CYS 11 -1.126 3.695 1.185
82 HB2 CYS 11 HB2 CYS 11 1.030 4.546 -0.291
83 HB3 CYS 11 HB1 CYS 11 0.051 3.141 -0.670
84 H THR 12 HN THR 12 1.138 4.300 2.062
85 HA THR 12 HA THR 12 0.855 6.575 3.747
86 HB THR 12 HB THR 12 3.165 5.881 4.512
87 HG1 THR 12 HG1 THR 12 2.809 3.475 3.122
88 HG21 THR 12 HG21 THR 12 2.376 3.822 5.625
89 HG22 THR 12 HG22 THR 12 1.015 3.748 4.508
90 HG23 THR 12 HG23 THR 12 1.138 5.079 5.658
91 H LYS 13 HN LYS 13 2.696 8.144 4.060
92 HA LYS 13 HA LYS 13 3.589 9.141 1.446
93 HB2 LYS 13 HB2 LYS 13 2.998 10.552 4.045
94 HB3 LYS 13 HB1 LYS 13 3.887 11.333 2.745
95 HG2 LYS 13 HG2 LYS 13 1.980 11.020 1.248
96 HG3 LYS 13 HG1 LYS 13 1.088 10.233 2.553
97 HD2 LYS 13 HD2 LYS 13 1.216 12.290 3.876
98 HD3 LYS 13 HD1 LYS 13 2.108 13.074 2.572
99 HE2 LYS 13 HE2 LYS 13 0.192 12.771 1.081
100 HE3 LYS 13 HE1 LYS 13 -0.699 11.987 2.384
101 HZ1 LYS 13 HZ1 LYS 13 0.274 14.794 2.400
102 HZ2 LYS 13 HZ2 LYS 13 -0.579 14.041 3.651
103 HZ3 LYS 13 HZ3 LYS 13 -1.328 14.305 2.157
104 H SER 14 HN SER 14 5.220 7.306 1.899
105 HA SER 14 HA SER 14 7.615 8.523 3.082
106 HB2 SER 14 HB2 SER 14 6.691 5.664 3.348
107 HB3 SER 14 HB1 SER 14 8.339 6.177 3.713
108 HG SER 14 HG SER 14 5.935 6.971 4.981
109 H ILE 15 HN ILE 15 6.438 6.063 0.859
110 HA ILE 15 HA ILE 15 8.566 6.767 -1.026
111 HB ILE 15 HB ILE 15 7.870 3.857 -0.911
112 HG12 ILE 15 HG12 ILE 15 10.156 3.770 0.487
113 HG13 ILE 15 HG11 ILE 15 9.521 5.289 1.114
114 HG21 ILE 15 HG21 ILE 15 9.176 4.699 -2.770
115 HG22 ILE 15 HG22 ILE 15 10.154 3.620 -1.775
116 HG23 ILE 15 HG23 ILE 15 10.372 5.366 -1.657
117 HD11 ILE 15 HD11 ILE 15 7.503 4.176 1.833
118 HD12 ILE 15 HD12 ILE 15 8.919 3.373 2.506
119 HD13 ILE 15 HD13 ILE 15 8.067 2.661 1.137
120 HA PRO 16 HA PRO 16 5.811 4.814 0.459
121 HB2 PRO 16 HB2 PRO 16 3.356 3.593 -0.008
122 HB3 PRO 16 HB1 PRO 16 3.562 5.277 0.500
123 HG2 PRO 16 HG2 PRO 16 2.569 4.316 -1.997
124 HG3 PRO 16 HG1 PRO 16 2.807 5.996 -1.486
125 HD2 PRO 16 HD2 PRO 16 4.539 4.280 -3.163
126 HD3 PRO 16 HD1 PRO 16 4.398 6.050 -3.121
127 HA PRO 17 HA PRO 17 6.791 0.464 -0.316
128 HB2 PRO 17 HB2 PRO 17 5.620 -0.726 1.997
129 HB3 PRO 17 HB1 PRO 17 7.281 -0.135 1.821
130 HG2 PRO 17 HG2 PRO 17 5.406 0.980 3.520
131 HG3 PRO 17 HG1 PRO 17 6.836 1.826 2.902
132 HD2 PRO 17 HD2 PRO 17 4.010 1.921 1.921
133 HD3 PRO 17 HD1 PRO 17 5.178 3.247 2.130
134 H ILE 18 HN ILE 18 3.456 0.786 0.733
135 HA ILE 18 HA ILE 18 2.611 -1.205 -1.245
136 HB ILE 18 HB ILE 18 1.717 -1.161 1.652
137 HG12 ILE 18 HG12 ILE 18 3.813 -2.358 1.392
138 HG13 ILE 18 HG11 ILE 18 2.529 -3.509 1.714
139 HG21 ILE 18 HG21 ILE 18 0.599 -2.850 -0.589
140 HG22 ILE 18 HG22 ILE 18 -0.237 -1.560 0.272
141 HG23 ILE 18 HG23 ILE 18 0.215 -3.037 1.122
142 HD11 ILE 18 HD11 ILE 18 3.978 -3.013 -0.875
143 HD12 ILE 18 HD12 ILE 18 2.476 -3.931 -0.792
144 HD13 ILE 18 HD13 ILE 18 3.903 -4.496 0.076
Start of MODEL 3
1 H CYS 1 HN CYS 1 0.808 -0.404 -1.112
2 HA CYS 1 HA CYS 1 -1.081 1.787 -0.775
3 HB2 CYS 1 HB2 CYS 1 -0.388 0.716 -3.519
4 HB3 CYS 1 HB1 CYS 1 -1.715 1.817 -3.166
5 H LYS 2 HN LYS 2 -3.221 1.200 -0.886
6 HA LYS 2 HA LYS 2 -5.043 -0.098 -0.563
7 HB2 LYS 2 HB2 LYS 2 -3.685 -1.831 -2.636
8 HB3 LYS 2 HB1 LYS 2 -5.329 -2.085 -2.069
9 HG2 LYS 2 HG2 LYS 2 -5.925 0.167 -2.882
10 HG3 LYS 2 HG1 LYS 2 -4.288 0.345 -3.513
11 HD2 LYS 2 HD2 LYS 2 -4.633 -1.585 -4.971
12 HD3 LYS 2 HD1 LYS 2 -6.264 -1.786 -4.329
13 HE2 LYS 2 HE2 LYS 2 -6.876 0.417 -5.189
14 HE3 LYS 2 HE1 LYS 2 -5.243 0.629 -5.818
15 HZ1 LYS 2 HZ1 LYS 2 -6.770 -0.082 -7.545
16 HZ2 LYS 2 HZ2 LYS 2 -7.162 -1.472 -6.666
17 HZ3 LYS 2 HZ3 LYS 2 -5.596 -1.269 -7.271
18 H ARG 3 HN ARG 3 -5.239 -0.861 1.410
19 HA ARG 3 HA ARG 3 -4.068 -3.472 2.029
20 HB2 ARG 3 HB2 ARG 3 -3.613 -0.944 3.523
21 HB3 ARG 3 HB1 ARG 3 -3.852 -2.404 4.472
22 HG2 ARG 3 HG2 ARG 3 -2.011 -3.476 3.260
23 HG3 ARG 3 HG1 ARG 3 -1.768 -1.992 2.338
24 HD2 ARG 3 HD2 ARG 3 -1.269 -0.783 4.397
25 HD3 ARG 3 HD1 ARG 3 -1.545 -2.249 5.336
26 HE ARG 3 HE ARG 3 0.411 -2.810 3.428
27 HH11 ARG 3 HH11 ARG 3 0.068 -0.798 6.285
28 HH12 ARG 3 HH12 ARG 3 1.758 -0.848 6.664
29 HH21 ARG 3 HH21 ARG 3 2.618 -2.862 3.942
30 HH22 ARG 3 HH22 ARG 3 3.199 -2.015 5.337
31 HA PRO 4 HA PRO 4 -7.995 -2.983 4.755
32 HB2 PRO 4 HB2 PRO 4 -9.409 -0.534 4.157
33 HB3 PRO 4 HB1 PRO 4 -8.667 -1.025 5.688
34 HG2 PRO 4 HG2 PRO 4 -7.759 1.048 4.184
35 HG3 PRO 4 HG1 PRO 4 -6.732 0.090 5.271
36 HD2 PRO 4 HD2 PRO 4 -7.051 -0.131 2.300
37 HD3 PRO 4 HD1 PRO 4 -5.573 -0.185 3.281
38 HA PRO 5 HA PRO 5 -10.392 -4.322 1.091
39 HB2 PRO 5 HB2 PRO 5 -11.805 -6.099 2.950
40 HB3 PRO 5 HB1 PRO 5 -10.788 -6.520 1.561
41 HG2 PRO 5 HG2 PRO 5 -10.024 -6.998 4.086
42 HG3 PRO 5 HG1 PRO 5 -8.871 -6.585 2.798
43 HD2 PRO 5 HD2 PRO 5 -9.986 -4.840 4.959
44 HD3 PRO 5 HD1 PRO 5 -8.328 -4.946 4.327
45 H GLY 6 HN GLY 6 -12.122 -3.310 0.325
46 HA2 GLY 6 HA2 GLY 6 -14.381 -2.667 0.240
47 HA3 GLY 6 HA1 GLY 6 -14.504 -2.937 1.970
48 H PHE 7 HN PHE 7 -11.895 -1.039 0.666
49 HA PHE 7 HA PHE 7 -13.233 1.468 1.416
50 HB2 PHE 7 HB2 PHE 7 -10.534 0.497 2.377
51 HB3 PHE 7 HB1 PHE 7 -11.015 2.190 2.449
52 HD1 PHE 7 HD1 PHE 7 -12.627 2.955 4.053
53 HD2 PHE 7 HD2 PHE 7 -11.620 -1.172 3.790
54 HE1 PHE 7 HE1 PHE 7 -13.726 2.553 6.216
55 HE2 PHE 7 HE2 PHE 7 -12.718 -1.581 5.952
56 HZ PHE 7 HZ PHE 7 -13.774 0.282 7.168
57 H SER 8 HN SER 8 -11.678 3.393 0.759
58 HA SER 8 HA SER 8 -11.286 3.162 -2.064
59 HB2 SER 8 HB2 SER 8 -10.914 5.404 -0.068
60 HB3 SER 8 HB1 SER 8 -10.503 5.606 -1.772
61 HG SER 8 HG SER 8 -12.540 5.868 -2.162
62 HA PRO 9 HA PRO 9 -6.834 2.466 -1.988
63 HB2 PRO 9 HB2 PRO 9 -6.088 4.237 -4.145
64 HB3 PRO 9 HB1 PRO 9 -6.370 2.490 -4.214
65 HG2 PRO 9 HG2 PRO 9 -7.959 4.296 -5.466
66 HG3 PRO 9 HG1 PRO 9 -8.536 2.722 -4.882
67 HD2 PRO 9 HD2 PRO 9 -8.753 5.414 -3.573
68 HD3 PRO 9 HD1 PRO 9 -10.006 4.168 -3.795
69 H LEU 10 HN LEU 10 -5.315 3.079 -0.633
70 HA LEU 10 HA LEU 10 -4.467 5.889 -0.515
71 HB2 LEU 10 HB2 LEU 10 -5.151 4.124 1.839
72 HB3 LEU 10 HB1 LEU 10 -4.230 5.607 1.985
73 HG LEU 10 HG LEU 10 -6.365 6.615 0.749
74 HD11 LEU 10 HD11 LEU 10 -8.414 5.565 1.572
75 HD12 LEU 10 HD12 LEU 10 -7.464 4.246 2.258
76 HD13 LEU 10 HD13 LEU 10 -7.513 4.481 0.510
77 HD21 LEU 10 HD21 LEU 10 -5.486 7.369 2.882
78 HD22 LEU 10 HD22 LEU 10 -6.206 5.979 3.691
79 HD23 LEU 10 HD23 LEU 10 -7.240 7.208 2.962
80 H CYS 11 HN CYS 11 -2.291 6.201 0.213
81 HA CYS 11 HA CYS 11 -0.650 3.764 0.269
82 HB2 CYS 11 HB2 CYS 11 0.054 6.290 -1.238
83 HB3 CYS 11 HB1 CYS 11 1.054 4.846 -1.112
84 H THR 12 HN THR 12 0.484 3.606 2.025
85 HA THR 12 HA THR 12 1.304 6.041 3.485
86 HB THR 12 HB THR 12 1.154 3.380 4.867
87 HG1 THR 12 HG1 THR 12 -1.154 4.983 4.879
88 HG21 THR 12 HG21 THR 12 2.038 5.344 6.064
89 HG22 THR 12 HG22 THR 12 0.525 4.798 6.788
90 HG23 THR 12 HG23 THR 12 0.541 6.220 5.745
91 H LYS 13 HN LYS 13 3.298 5.742 4.812
92 HA LYS 13 HA LYS 13 5.527 5.419 4.980
93 HB2 LYS 13 HB2 LYS 13 4.827 2.719 3.806
94 HB3 LYS 13 HB1 LYS 13 6.454 3.149 4.307
95 HG2 LYS 13 HG2 LYS 13 4.210 3.443 6.251
96 HG3 LYS 13 HG1 LYS 13 4.868 1.839 5.918
97 HD2 LYS 13 HD2 LYS 13 7.106 2.636 6.530
98 HD3 LYS 13 HD1 LYS 13 6.444 4.238 6.863
99 HE2 LYS 13 HE2 LYS 13 6.640 3.174 8.960
100 HE3 LYS 13 HE1 LYS 13 4.926 3.116 8.548
101 HZ1 LYS 13 HZ1 LYS 13 6.862 0.887 8.206
102 HZ2 LYS 13 HZ2 LYS 13 5.218 0.829 7.816
103 HZ3 LYS 13 HZ3 LYS 13 5.699 1.005 9.428
104 H SER 14 HN SER 14 6.294 6.977 3.723
105 HA SER 14 HA SER 14 6.287 7.140 0.947
106 HB2 SER 14 HB2 SER 14 8.152 8.818 1.256
107 HB3 SER 14 HB1 SER 14 6.740 9.108 2.271
108 HG SER 14 HG SER 14 8.868 9.215 3.321
109 H ILE 15 HN ILE 15 8.505 5.438 3.026
110 HA ILE 15 HA ILE 15 9.712 4.183 0.713
111 HB ILE 15 HB ILE 15 11.178 6.115 1.043
112 HG12 ILE 15 HG12 ILE 15 13.369 4.743 1.603
113 HG13 ILE 15 HG11 ILE 15 12.268 3.373 1.518
114 HG21 ILE 15 HG21 ILE 15 11.714 5.055 3.811
115 HG22 ILE 15 HG22 ILE 15 10.884 6.555 3.396
116 HG23 ILE 15 HG23 ILE 15 12.598 6.366 3.026
117 HD11 ILE 15 HD11 ILE 15 11.652 4.011 -0.756
118 HD12 ILE 15 HD12 ILE 15 13.386 3.740 -0.603
119 HD13 ILE 15 HD13 ILE 15 12.754 5.385 -0.668
120 HA PRO 16 HA PRO 16 10.023 2.320 0.017
121 HB2 PRO 16 HB2 PRO 16 8.604 -0.221 0.315
122 HB3 PRO 16 HB1 PRO 16 10.232 0.066 -0.323
123 HG2 PRO 16 HG2 PRO 16 9.790 -1.218 2.007
124 HG3 PRO 16 HG1 PRO 16 11.235 -0.230 1.705
125 HD2 PRO 16 HD2 PRO 16 8.744 0.492 3.209
126 HD3 PRO 16 HD1 PRO 16 10.444 0.791 3.634
127 HA PRO 17 HA PRO 17 5.674 3.339 -0.669
128 HB2 PRO 17 HB2 PRO 17 5.345 2.143 -3.271
129 HB3 PRO 17 HB1 PRO 17 5.705 3.834 -2.885
130 HG2 PRO 17 HG2 PRO 17 7.474 2.201 -4.164
131 HG3 PRO 17 HG1 PRO 17 7.969 3.563 -3.135
132 HD2 PRO 17 HD2 PRO 17 7.784 0.645 -2.443
133 HD3 PRO 17 HD1 PRO 17 9.105 1.794 -2.118
134 H ILE 18 HN ILE 18 3.744 2.635 -0.064
135 HA ILE 18 HA ILE 18 2.936 -0.134 -0.628
136 HB ILE 18 HB ILE 18 2.714 1.244 2.068
137 HG12 ILE 18 HG12 ILE 18 4.923 0.301 1.753
138 HG13 ILE 18 HG11 ILE 18 4.044 -0.690 2.905
139 HG21 ILE 18 HG21 ILE 18 1.571 -1.432 1.256
140 HG22 ILE 18 HG22 ILE 18 0.658 0.021 1.662
141 HG23 ILE 18 HG23 ILE 18 1.615 -0.792 2.901
142 HD11 ILE 18 HD11 ILE 18 5.227 -2.188 1.532
143 HD12 ILE 18 HD12 ILE 18 4.764 -1.337 0.059
144 HD13 ILE 18 HD13 ILE 18 3.559 -2.257 0.959
Start of MODEL 4
1 H CYS 1 HN CYS 1 1.413 -0.460 -0.354
2 HA CYS 1 HA CYS 1 -0.127 1.929 -0.965
3 HB2 CYS 1 HB2 CYS 1 1.659 2.130 -2.592
4 HB3 CYS 1 HB1 CYS 1 1.494 0.443 -3.052
5 H LYS 2 HN LYS 2 -2.191 1.461 -1.604
6 HA LYS 2 HA LYS 2 -4.124 0.326 -1.939
7 HB2 LYS 2 HB2 LYS 2 -2.274 -1.831 -2.968
8 HB3 LYS 2 HB1 LYS 2 -4.024 -1.997 -2.959
9 HG2 LYS 2 HG2 LYS 2 -4.219 -0.035 -4.405
10 HG3 LYS 2 HG1 LYS 2 -2.462 0.128 -4.416
11 HD2 LYS 2 HD2 LYS 2 -2.268 -2.082 -5.455
12 HD3 LYS 2 HD1 LYS 2 -4.024 -2.244 -5.440
13 HE2 LYS 2 HE2 LYS 2 -4.214 -0.289 -6.899
14 HE3 LYS 2 HE1 LYS 2 -2.458 -0.127 -6.912
15 HZ1 LYS 2 HZ1 LYS 2 -2.304 -2.299 -7.963
16 HZ2 LYS 2 HZ2 LYS 2 -3.255 -1.253 -8.891
17 HZ3 LYS 2 HZ3 LYS 2 -3.989 -2.452 -7.951
18 H ARG 3 HN ARG 3 -5.537 -0.821 -0.711
19 HA ARG 3 HA ARG 3 -4.420 -2.534 1.407
20 HB2 ARG 3 HB2 ARG 3 -6.387 -0.265 1.676
21 HB3 ARG 3 HB1 ARG 3 -6.277 -1.537 2.883
22 HG2 ARG 3 HG2 ARG 3 -3.931 -0.970 3.271
23 HG3 ARG 3 HG1 ARG 3 -4.040 0.305 2.056
24 HD2 ARG 3 HD2 ARG 3 -5.759 1.426 3.392
25 HD3 ARG 3 HD1 ARG 3 -5.646 0.151 4.605
26 HE ARG 3 HE ARG 3 -3.094 1.229 4.226
27 HH11 ARG 3 HH11 ARG 3 -6.192 2.234 5.543
28 HH12 ARG 3 HH12 ARG 3 -5.484 3.359 6.653
29 HH21 ARG 3 HH21 ARG 3 -2.191 2.708 5.687
30 HH22 ARG 3 HH22 ARG 3 -3.220 3.626 6.735
31 HA PRO 4 HA PRO 4 -7.542 -5.597 0.444
32 HB2 PRO 4 HB2 PRO 4 -8.374 -5.612 3.309
33 HB3 PRO 4 HB1 PRO 4 -7.838 -6.958 2.286
34 HG2 PRO 4 HG2 PRO 4 -6.236 -5.994 4.135
35 HG3 PRO 4 HG1 PRO 4 -5.602 -6.445 2.538
36 HD2 PRO 4 HD2 PRO 4 -6.198 -3.727 3.631
37 HD3 PRO 4 HD1 PRO 4 -4.829 -4.271 2.643
38 HA PRO 5 HA PRO 5 -11.625 -3.831 -0.111
39 HB2 PRO 5 HB2 PRO 5 -12.859 -6.271 1.081
40 HB3 PRO 5 HB1 PRO 5 -13.155 -5.511 -0.495
41 HG2 PRO 5 HG2 PRO 5 -11.779 -7.750 -0.347
42 HG3 PRO 5 HG1 PRO 5 -11.287 -6.457 -1.462
43 HD2 PRO 5 HD2 PRO 5 -10.104 -7.225 1.174
44 HD3 PRO 5 HD1 PRO 5 -9.297 -6.719 -0.323
45 H GLY 6 HN GLY 6 -13.263 -2.735 0.938
46 HA2 GLY 6 HA2 GLY 6 -14.674 -2.619 3.008
47 HA3 GLY 6 HA1 GLY 6 -13.169 -2.808 3.893
48 H PHE 7 HN PHE 7 -11.675 -1.084 2.054
49 HA PHE 7 HA PHE 7 -12.866 1.546 2.637
50 HB2 PHE 7 HB2 PHE 7 -10.032 0.636 3.176
51 HB3 PHE 7 HB1 PHE 7 -10.496 2.332 3.127
52 HD1 PHE 7 HD1 PHE 7 -11.858 3.300 4.880
53 HD2 PHE 7 HD2 PHE 7 -10.717 -0.798 4.995
54 HE1 PHE 7 HE1 PHE 7 -12.509 3.190 7.251
55 HE2 PHE 7 HE2 PHE 7 -11.367 -0.916 7.366
56 HZ PHE 7 HZ PHE 7 -12.264 1.078 8.496
57 H SER 8 HN SER 8 -11.629 3.329 1.399
58 HA SER 8 HA SER 8 -11.672 2.646 -1.376
59 HB2 SER 8 HB2 SER 8 -11.303 5.070 -1.727
60 HB3 SER 8 HB1 SER 8 -12.564 4.790 -0.529
61 HG SER 8 HG SER 8 -10.221 4.912 0.727
62 HA PRO 9 HA PRO 9 -7.223 2.164 -1.929
63 HB2 PRO 9 HB2 PRO 9 -6.936 3.620 -4.415
64 HB3 PRO 9 HB1 PRO 9 -7.084 1.870 -4.181
65 HG2 PRO 9 HG2 PRO 9 -8.981 3.353 -5.418
66 HG3 PRO 9 HG1 PRO 9 -9.342 1.873 -4.506
67 HD2 PRO 9 HD2 PRO 9 -9.551 4.731 -3.619
68 HD3 PRO 9 HD1 PRO 9 -10.735 3.413 -3.442
69 H LEU 10 HN LEU 10 -5.668 3.076 -0.790
70 HA LEU 10 HA LEU 10 -4.878 5.850 -1.328
71 HB2 LEU 10 HB2 LEU 10 -5.377 4.670 1.409
72 HB3 LEU 10 HB1 LEU 10 -4.514 6.172 1.138
73 HG LEU 10 HG LEU 10 -6.777 6.767 -0.166
74 HD11 LEU 10 HD11 LEU 10 -7.643 4.860 2.004
75 HD12 LEU 10 HD12 LEU 10 -7.827 4.610 0.269
76 HD13 LEU 10 HD13 LEU 10 -8.704 5.913 1.068
77 HD21 LEU 10 HD21 LEU 10 -6.368 6.943 2.817
78 HD22 LEU 10 HD22 LEU 10 -7.515 7.902 1.882
79 HD23 LEU 10 HD23 LEU 10 -5.782 8.087 1.611
80 H CYS 11 HN CYS 11 -2.745 6.084 -1.562
81 HA CYS 11 HA CYS 11 -0.961 4.019 -0.459
82 HB2 CYS 11 HB2 CYS 11 -0.783 5.225 -3.229
83 HB3 CYS 11 HB1 CYS 11 0.399 4.129 -2.517
84 H THR 12 HN THR 12 1.145 4.675 0.054
85 HA THR 12 HA THR 12 1.381 7.467 0.751
86 HB THR 12 HB THR 12 3.471 6.606 1.934
87 HG1 THR 12 HG1 THR 12 2.390 4.051 1.890
88 HG21 THR 12 HG21 THR 12 0.791 5.441 2.733
89 HG22 THR 12 HG22 THR 12 1.378 7.051 3.152
90 HG23 THR 12 HG23 THR 12 2.185 5.624 3.798
91 H LYS 13 HN LYS 13 3.911 5.230 -0.252
92 HA LYS 13 HA LYS 13 4.636 6.831 -2.573
93 HB2 LYS 13 HB2 LYS 13 6.395 6.544 -0.138
94 HB3 LYS 13 HB1 LYS 13 7.082 6.839 -1.728
95 HG2 LYS 13 HG2 LYS 13 5.815 8.917 -1.898
96 HG3 LYS 13 HG1 LYS 13 5.107 8.618 -0.311
97 HD2 LYS 13 HD2 LYS 13 7.340 8.688 0.694
98 HD3 LYS 13 HD1 LYS 13 8.043 8.994 -0.896
99 HE2 LYS 13 HE2 LYS 13 6.774 11.080 -1.054
100 HE3 LYS 13 HE1 LYS 13 6.067 10.773 0.531
101 HZ1 LYS 13 HZ1 LYS 13 7.918 12.315 0.675
102 HZ2 LYS 13 HZ2 LYS 13 8.958 11.177 -0.024
103 HZ3 LYS 13 HZ3 LYS 13 8.280 10.881 1.497
104 H SER 14 HN SER 14 3.718 4.052 -1.869
105 HA SER 14 HA SER 14 3.945 1.942 -2.632
106 HB2 SER 14 HB2 SER 14 6.195 3.020 -4.342
107 HB3 SER 14 HB1 SER 14 5.475 1.418 -4.506
108 HG SER 14 HG SER 14 3.908 3.762 -4.632
109 H ILE 15 HN ILE 15 7.318 2.987 -2.507
110 HA ILE 15 HA ILE 15 7.817 1.321 -0.185
111 HB ILE 15 HB ILE 15 9.851 0.273 -1.174
112 HG12 ILE 15 HG12 ILE 15 9.505 -0.002 -3.816
113 HG13 ILE 15 HG11 ILE 15 8.850 1.624 -3.627
114 HG21 ILE 15 HG21 ILE 15 7.852 -1.029 -0.853
115 HG22 ILE 15 HG22 ILE 15 8.663 -1.527 -2.339
116 HG23 ILE 15 HG23 ILE 15 7.226 -0.507 -2.417
117 HD11 ILE 15 HD11 ILE 15 11.210 1.682 -4.179
118 HD12 ILE 15 HD12 ILE 15 11.575 0.713 -2.753
119 HD13 ILE 15 HD13 ILE 15 10.918 2.338 -2.569
120 HA PRO 16 HA PRO 16 10.137 0.728 1.073
121 HB2 PRO 16 HB2 PRO 16 10.193 2.609 3.383
122 HB3 PRO 16 HB1 PRO 16 11.256 1.239 3.011
123 HG2 PRO 16 HG2 PRO 16 12.124 3.696 2.676
124 HG3 PRO 16 HG1 PRO 16 12.500 2.439 1.478
125 HD2 PRO 16 HD2 PRO 16 10.458 4.620 1.337
126 HD3 PRO 16 HD1 PRO 16 11.562 4.029 0.080
127 HA PRO 17 HA PRO 17 6.167 1.927 3.868
128 HB2 PRO 17 HB2 PRO 17 4.470 3.653 2.502
129 HB3 PRO 17 HB1 PRO 17 5.556 4.128 3.821
130 HG2 PRO 17 HG2 PRO 17 5.981 4.345 0.866
131 HG3 PRO 17 HG1 PRO 17 6.346 5.524 2.144
132 HD2 PRO 17 HD2 PRO 17 8.277 4.050 1.103
133 HD3 PRO 17 HD1 PRO 17 8.235 4.371 2.850
134 H ILE 18 HN ILE 18 3.523 2.254 2.503
135 HA ILE 18 HA ILE 18 3.590 -0.101 0.743
136 HB ILE 18 HB ILE 18 2.839 -0.394 3.259
137 HG12 ILE 18 HG12 ILE 18 1.056 -2.122 2.280
138 HG13 ILE 18 HG11 ILE 18 1.836 -1.676 0.767
139 HG21 ILE 18 HG21 ILE 18 0.409 -0.329 3.556
140 HG22 ILE 18 HG22 ILE 18 0.245 0.452 1.985
141 HG23 ILE 18 HG23 ILE 18 1.090 1.277 3.294
142 HD11 ILE 18 HD11 ILE 18 3.995 -2.350 1.683
143 HD12 ILE 18 HD12 ILE 18 2.831 -3.674 1.716
144 HD13 ILE 18 HD13 ILE 18 3.212 -2.797 3.198
Start of MODEL 5
1 H CYS 1 HN CYS 1 1.009 -0.006 -0.064
2 HA CYS 1 HA CYS 1 -0.609 2.230 -1.002
3 HB2 CYS 1 HB2 CYS 1 1.415 2.373 -2.401
4 HB3 CYS 1 HB1 CYS 1 1.229 0.688 -2.864
5 H LYS 2 HN LYS 2 -1.090 -0.241 0.427
6 HA LYS 2 HA LYS 2 -3.080 -1.440 -1.358
7 HB2 LYS 2 HB2 LYS 2 -1.028 -2.989 0.231
8 HB3 LYS 2 HB1 LYS 2 -2.501 -3.714 -0.395
9 HG2 LYS 2 HG2 LYS 2 -1.803 -3.120 -2.677
10 HG3 LYS 2 HG1 LYS 2 -0.309 -2.445 -2.026
11 HD2 LYS 2 HD2 LYS 2 0.285 -4.647 -1.121
12 HD3 LYS 2 HD1 LYS 2 -1.206 -5.319 -1.781
13 HE2 LYS 2 HE2 LYS 2 0.492 -5.888 -3.317
14 HE3 LYS 2 HE1 LYS 2 -0.393 -4.550 -4.050
15 HZ1 LYS 2 HZ1 LYS 2 1.994 -4.263 -4.281
16 HZ2 LYS 2 HZ2 LYS 2 2.192 -4.325 -2.603
17 HZ3 LYS 2 HZ3 LYS 2 1.346 -3.042 -3.306
18 H ARG 3 HN ARG 3 -4.949 -2.085 -0.370
19 HA ARG 3 HA ARG 3 -5.124 -1.951 2.546
20 HB2 ARG 3 HB2 ARG 3 -7.355 -0.650 2.230
21 HB3 ARG 3 HB1 ARG 3 -5.852 0.247 2.106
22 HG2 ARG 3 HG2 ARG 3 -7.004 1.088 0.316
23 HG3 ARG 3 HG1 ARG 3 -6.139 -0.236 -0.464
24 HD2 ARG 3 HD2 ARG 3 -8.144 -1.658 -0.178
25 HD3 ARG 3 HD1 ARG 3 -8.997 -0.275 0.504
26 HE ARG 3 HE ARG 3 -8.220 0.704 -1.851
27 HH11 ARG 3 HH11 ARG 3 -9.757 -2.363 -1.096
28 HH12 ARG 3 HH12 ARG 3 -10.552 -2.474 -2.631
29 HH21 ARG 3 HH21 ARG 3 -9.271 0.539 -3.853
30 HH22 ARG 3 HH22 ARG 3 -10.276 -0.832 -4.191
31 HA PRO 4 HA PRO 4 -7.861 -5.450 2.024
32 HB2 PRO 4 HB2 PRO 4 -9.573 -4.689 4.266
33 HB3 PRO 4 HB1 PRO 4 -8.371 -5.987 4.184
34 HG2 PRO 4 HG2 PRO 4 -8.045 -3.809 5.731
35 HG3 PRO 4 HG1 PRO 4 -6.687 -4.675 4.985
36 HD2 PRO 4 HD2 PRO 4 -8.021 -2.146 4.096
37 HD3 PRO 4 HD1 PRO 4 -6.292 -2.542 4.176
38 HA PRO 5 HA PRO 5 -11.651 -4.353 -0.110
39 HB2 PRO 5 HB2 PRO 5 -13.167 -6.533 1.188
40 HB3 PRO 5 HB1 PRO 5 -12.766 -6.306 -0.525
41 HG2 PRO 5 HG2 PRO 5 -11.607 -8.215 0.913
42 HG3 PRO 5 HG1 PRO 5 -10.714 -7.314 -0.329
43 HD2 PRO 5 HD2 PRO 5 -10.666 -6.969 2.644
44 HD3 PRO 5 HD1 PRO 5 -9.320 -6.962 1.486
45 H GLY 6 HN GLY 6 -13.193 -2.879 0.195
46 HA2 GLY 6 HA2 GLY 6 -15.251 -2.195 1.310
47 HA3 GLY 6 HA1 GLY 6 -14.540 -2.736 2.821
48 H PHE 7 HN PHE 7 -12.105 -1.255 1.175
49 HA PHE 7 HA PHE 7 -12.735 1.433 2.197
50 HB2 PHE 7 HB2 PHE 7 -10.184 -0.139 2.612
51 HB3 PHE 7 HB1 PHE 7 -10.293 1.598 2.867
52 HD1 PHE 7 HD1 PHE 7 -11.513 2.507 4.748
53 HD2 PHE 7 HD2 PHE 7 -11.250 -1.694 4.124
54 HE1 PHE 7 HE1 PHE 7 -12.300 2.121 7.048
55 HE2 PHE 7 HE2 PHE 7 -12.038 -2.089 6.422
56 HZ PHE 7 HZ PHE 7 -12.564 -0.180 7.886
57 H SER 8 HN SER 8 -11.266 3.134 1.271
58 HA SER 8 HA SER 8 -11.072 2.756 -1.583
59 HB2 SER 8 HB2 SER 8 -10.732 5.141 0.248
60 HB3 SER 8 HB1 SER 8 -10.401 5.246 -1.482
61 HG SER 8 HG SER 8 -12.762 5.310 -0.204
62 HA PRO 9 HA PRO 9 -6.598 2.223 -1.675
63 HB2 PRO 9 HB2 PRO 9 -6.022 4.041 -3.869
64 HB3 PRO 9 HB1 PRO 9 -6.129 2.272 -3.901
65 HG2 PRO 9 HG2 PRO 9 -7.908 3.844 -5.170
66 HG3 PRO 9 HG1 PRO 9 -8.344 2.270 -4.470
67 HD2 PRO 9 HD2 PRO 9 -8.715 5.014 -3.312
68 HD3 PRO 9 HD1 PRO 9 -9.890 3.682 -3.436
69 H LEU 10 HN LEU 10 -4.838 2.922 -0.626
70 HA LEU 10 HA LEU 10 -4.399 5.815 -0.332
71 HB2 LEU 10 HB2 LEU 10 -5.497 4.604 1.686
72 HB3 LEU 10 HB1 LEU 10 -3.911 3.906 1.941
73 HG LEU 10 HG LEU 10 -3.140 6.433 1.895
74 HD11 LEU 10 HD11 LEU 10 -5.317 7.356 1.316
75 HD12 LEU 10 HD12 LEU 10 -4.802 7.914 2.908
76 HD13 LEU 10 HD13 LEU 10 -6.019 6.644 2.769
77 HD21 LEU 10 HD21 LEU 10 -3.396 6.493 4.333
78 HD22 LEU 10 HD22 LEU 10 -2.846 4.915 3.769
79 HD23 LEU 10 HD23 LEU 10 -4.530 5.146 4.240
80 H CYS 11 HN CYS 11 -2.539 6.254 -1.274
81 HA CYS 11 HA CYS 11 -0.191 4.579 -0.713
82 HB2 CYS 11 HB2 CYS 11 -0.756 5.696 -3.464
83 HB3 CYS 11 HB1 CYS 11 0.512 4.568 -2.999
84 H THR 12 HN THR 12 1.663 5.727 -0.340
85 HA THR 12 HA THR 12 1.437 8.624 -0.333
86 HB THR 12 HB THR 12 3.674 8.322 0.989
87 HG1 THR 12 HG1 THR 12 2.543 5.913 1.830
88 HG21 THR 12 HG21 THR 12 0.986 7.562 2.159
89 HG22 THR 12 HG22 THR 12 1.595 9.205 1.957
90 HG23 THR 12 HG23 THR 12 2.386 8.105 3.086
91 H LYS 13 HN LYS 13 3.883 6.193 -1.125
92 HA LYS 13 HA LYS 13 4.769 7.813 -3.399
93 HB2 LYS 13 HB2 LYS 13 6.548 6.864 -1.153
94 HB3 LYS 13 HB1 LYS 13 7.183 7.289 -2.735
95 HG2 LYS 13 HG2 LYS 13 6.300 9.553 -2.485
96 HG3 LYS 13 HG1 LYS 13 5.657 9.127 -0.898
97 HD2 LYS 13 HD2 LYS 13 7.928 8.657 -0.108
98 HD3 LYS 13 HD1 LYS 13 8.568 9.088 -1.696
99 HE2 LYS 13 HE2 LYS 13 7.691 11.357 -1.430
100 HE3 LYS 13 HE1 LYS 13 7.051 10.925 0.154
101 HZ1 LYS 13 HZ1 LYS 13 9.921 10.916 -0.611
102 HZ2 LYS 13 HZ2 LYS 13 9.307 10.504 0.910
103 HZ3 LYS 13 HZ3 LYS 13 9.156 12.089 0.338
104 H SER 14 HN SER 14 3.654 4.950 -2.408
105 HA SER 14 HA SER 14 3.429 2.909 -3.345
106 HB2 SER 14 HB2 SER 14 5.202 3.924 -5.571
107 HB3 SER 14 HB1 SER 14 4.316 2.399 -5.594
108 HG SER 14 HG SER 14 2.382 3.646 -5.382
109 H ILE 15 HN ILE 15 6.765 4.022 -3.478
110 HA ILE 15 HA ILE 15 7.580 1.630 -2.035
111 HB ILE 15 HB ILE 15 7.935 1.110 -4.432
112 HG12 ILE 15 HG12 ILE 15 10.560 0.755 -4.182
113 HG13 ILE 15 HG11 ILE 15 10.219 1.217 -2.519
114 HG21 ILE 15 HG21 ILE 15 8.376 3.308 -5.331
115 HG22 ILE 15 HG22 ILE 15 9.704 2.216 -5.721
116 HG23 ILE 15 HG23 ILE 15 9.889 3.404 -4.430
117 HD11 ILE 15 HD11 ILE 15 9.020 -1.090 -4.034
118 HD12 ILE 15 HD12 ILE 15 8.541 -0.597 -2.410
119 HD13 ILE 15 HD13 ILE 15 10.181 -1.172 -2.711
120 HA PRO 16 HA PRO 16 8.799 0.957 -0.700
121 HB2 PRO 16 HB2 PRO 16 10.215 1.006 1.633
122 HB3 PRO 16 HB1 PRO 16 10.947 0.786 0.037
123 HG2 PRO 16 HG2 PRO 16 11.224 3.018 1.836
124 HG3 PRO 16 HG1 PRO 16 12.046 2.726 0.295
125 HD2 PRO 16 HD2 PRO 16 9.692 4.404 0.862
126 HD3 PRO 16 HD1 PRO 16 10.826 4.471 -0.504
127 HA PRO 17 HA PRO 17 6.265 2.562 3.148
128 HB2 PRO 17 HB2 PRO 17 4.281 4.205 1.776
129 HB3 PRO 17 HB1 PRO 17 5.364 4.657 3.103
130 HG2 PRO 17 HG2 PRO 17 5.624 5.684 0.613
131 HG3 PRO 17 HG1 PRO 17 7.015 5.417 1.688
132 HD2 PRO 17 HD2 PRO 17 6.006 3.681 -0.542
133 HD3 PRO 17 HD1 PRO 17 7.667 4.209 -0.193
134 H ILE 18 HN ILE 18 3.284 3.087 2.094
135 HA ILE 18 HA ILE 18 2.733 0.314 1.283
136 HB ILE 18 HB ILE 18 1.206 1.887 3.376
137 HG12 ILE 18 HG12 ILE 18 3.242 0.974 4.320
138 HG13 ILE 18 HG11 ILE 18 1.871 0.065 4.931
139 HG21 ILE 18 HG21 ILE 18 -0.204 -0.101 3.683
140 HG22 ILE 18 HG22 ILE 18 0.590 -0.866 2.308
141 HG23 ILE 18 HG23 ILE 18 -0.372 0.593 2.070
142 HD11 ILE 18 HD11 ILE 18 2.414 -1.682 3.177
143 HD12 ILE 18 HD12 ILE 18 3.580 -1.503 4.488
144 HD13 ILE 18 HD13 ILE 18 3.920 -0.804 2.905
Start of MODEL 6
1 H CYS 1 HN CYS 1 1.356 -1.519 -1.377
2 HA CYS 1 HA CYS 1 -0.504 0.514 -2.261
3 HB2 CYS 1 HB2 CYS 1 0.990 -0.839 -4.200
4 HB3 CYS 1 HB1 CYS 1 -0.601 -1.592 -4.223
5 H LYS 2 HN LYS 2 -2.658 -0.100 -2.270
6 HA LYS 2 HA LYS 2 -4.529 -1.123 -1.513
7 HB2 LYS 2 HB2 LYS 2 -2.923 -3.606 -2.134
8 HB3 LYS 2 HB1 LYS 2 -4.586 -3.667 -1.567
9 HG2 LYS 2 HG2 LYS 2 -5.301 -2.387 -3.522
10 HG3 LYS 2 HG1 LYS 2 -3.631 -2.323 -4.089
11 HD2 LYS 2 HD2 LYS 2 -3.590 -4.766 -4.241
12 HD3 LYS 2 HD1 LYS 2 -5.259 -4.830 -3.671
13 HE2 LYS 2 HE2 LYS 2 -5.974 -3.557 -5.636
14 HE3 LYS 2 HE1 LYS 2 -4.306 -3.493 -6.201
15 HZ1 LYS 2 HZ1 LYS 2 -5.549 -5.240 -7.310
16 HZ2 LYS 2 HZ2 LYS 2 -5.909 -5.966 -5.825
17 HZ3 LYS 2 HZ3 LYS 2 -4.309 -5.904 -6.369
18 H ARG 3 HN ARG 3 -5.064 -0.754 0.519
19 HA ARG 3 HA ARG 3 -3.717 -2.308 2.623
20 HB2 ARG 3 HB2 ARG 3 -3.443 0.448 2.272
21 HB3 ARG 3 HB1 ARG 3 -4.597 0.288 3.587
22 HG2 ARG 3 HG2 ARG 3 -2.008 -1.226 3.622
23 HG3 ARG 3 HG1 ARG 3 -2.091 0.453 4.146
24 HD2 ARG 3 HD2 ARG 3 -2.316 -0.874 6.096
25 HD3 ARG 3 HD1 ARG 3 -3.922 -0.246 5.733
26 HE ARG 3 HE ARG 3 -3.678 -2.750 4.517
27 HH11 ARG 3 HH11 ARG 3 -3.818 -1.438 7.772
28 HH12 ARG 3 HH12 ARG 3 -4.510 -2.875 8.444
29 HH21 ARG 3 HH21 ARG 3 -4.583 -4.621 5.419
30 HH22 ARG 3 HH22 ARG 3 -4.943 -4.676 7.113
31 HA PRO 4 HA PRO 4 -8.174 -1.460 4.236
32 HB2 PRO 4 HB2 PRO 4 -9.762 -0.215 2.133
33 HB3 PRO 4 HB1 PRO 4 -9.437 0.377 3.771
34 HG2 PRO 4 HG2 PRO 4 -8.453 1.588 1.577
35 HG3 PRO 4 HG1 PRO 4 -7.600 1.568 3.134
36 HD2 PRO 4 HD2 PRO 4 -7.148 -0.153 0.722
37 HD3 PRO 4 HD1 PRO 4 -5.958 0.672 1.755
38 HA PRO 5 HA PRO 5 -9.867 -5.110 2.247
39 HB2 PRO 5 HB2 PRO 5 -12.396 -4.731 3.697
40 HB3 PRO 5 HB1 PRO 5 -11.204 -6.033 3.850
41 HG2 PRO 5 HG2 PRO 5 -11.553 -4.220 5.777
42 HG3 PRO 5 HG1 PRO 5 -9.959 -4.910 5.406
43 HD2 PRO 5 HD2 PRO 5 -11.085 -2.249 4.631
44 HD3 PRO 5 HD1 PRO 5 -9.461 -2.664 5.214
45 H GLY 6 HN GLY 6 -11.590 -2.107 2.148
46 HA2 GLY 6 HA2 GLY 6 -12.279 -1.944 -0.423
47 HA3 GLY 6 HA1 GLY 6 -13.515 -3.040 0.171
48 H PHE 7 HN PHE 7 -12.020 0.059 1.127
49 HA PHE 7 HA PHE 7 -14.712 1.163 1.482
50 HB2 PHE 7 HB2 PHE 7 -12.405 1.304 3.397
51 HB3 PHE 7 HB1 PHE 7 -13.658 2.540 3.401
52 HD1 PHE 7 HD1 PHE 7 -12.912 -0.991 4.050
53 HD2 PHE 7 HD2 PHE 7 -15.864 2.069 4.215
54 HE1 PHE 7 HE1 PHE 7 -14.310 -2.422 5.483
55 HE2 PHE 7 HE2 PHE 7 -17.266 0.644 5.648
56 HZ PHE 7 HZ PHE 7 -16.491 -1.605 6.284
57 H SER 8 HN SER 8 -11.299 2.069 1.323
58 HA SER 8 HA SER 8 -11.920 4.043 -0.714
59 HB2 SER 8 HB2 SER 8 -10.525 4.733 1.893
60 HB3 SER 8 HB1 SER 8 -10.529 5.791 0.483
61 HG SER 8 HG SER 8 -12.376 5.576 2.364
62 HA PRO 9 HA PRO 9 -7.817 2.645 -2.008
63 HB2 PRO 9 HB2 PRO 9 -7.129 4.788 -3.707
64 HB3 PRO 9 HB1 PRO 9 -8.144 3.402 -4.137
65 HG2 PRO 9 HG2 PRO 9 -8.992 6.054 -4.013
66 HG3 PRO 9 HG1 PRO 9 -10.040 4.624 -4.047
67 HD2 PRO 9 HD2 PRO 9 -9.113 6.240 -1.703
68 HD3 PRO 9 HD1 PRO 9 -10.715 5.531 -2.024
69 H LEU 10 HN LEU 10 -5.990 2.528 -0.918
70 HA LEU 10 HA LEU 10 -4.373 4.917 -0.449
71 HB2 LEU 10 HB2 LEU 10 -5.254 2.992 1.706
72 HB3 LEU 10 HB1 LEU 10 -3.858 4.037 1.886
73 HG LEU 10 HG LEU 10 -6.495 5.270 1.203
74 HD11 LEU 10 HD11 LEU 10 -7.090 3.819 3.019
75 HD12 LEU 10 HD12 LEU 10 -6.966 5.467 3.632
76 HD13 LEU 10 HD13 LEU 10 -5.670 4.313 3.939
77 HD21 LEU 10 HD21 LEU 10 -4.485 6.659 1.234
78 HD22 LEU 10 HD22 LEU 10 -4.152 6.155 2.891
79 HD23 LEU 10 HD23 LEU 10 -5.588 7.115 2.532
80 H CYS 11 HN CYS 11 -2.276 4.556 -0.896
81 HA CYS 11 HA CYS 11 -1.339 1.778 -0.940
82 HB2 CYS 11 HB2 CYS 11 -1.187 3.819 -3.132
83 HB3 CYS 11 HB1 CYS 11 0.076 2.602 -3.003
84 H THR 12 HN THR 12 -0.607 2.646 1.237
85 HA THR 12 HA THR 12 2.214 3.137 1.091
86 HB THR 12 HB THR 12 0.910 5.198 2.822
87 HG1 THR 12 HG1 THR 12 1.292 5.541 0.003
88 HG21 THR 12 HG21 THR 12 3.351 4.865 2.834
89 HG22 THR 12 HG22 THR 12 2.947 6.458 2.193
90 HG23 THR 12 HG23 THR 12 3.410 5.158 1.094
91 H LYS 13 HN LYS 13 3.293 2.807 3.067
92 HA LYS 13 HA LYS 13 1.660 1.727 5.253
93 HB2 LYS 13 HB2 LYS 13 3.008 0.078 3.663
94 HB3 LYS 13 HB1 LYS 13 4.343 0.544 4.706
95 HG2 LYS 13 HG2 LYS 13 3.094 -0.227 6.659
96 HG3 LYS 13 HG1 LYS 13 1.746 -0.689 5.615
97 HD2 LYS 13 HD2 LYS 13 3.205 -2.278 4.448
98 HD3 LYS 13 HD1 LYS 13 4.544 -1.818 5.500
99 HE2 LYS 13 HE2 LYS 13 3.288 -2.609 7.443
100 HE3 LYS 13 HE1 LYS 13 1.945 -3.060 6.394
101 HZ1 LYS 13 HZ1 LYS 13 3.313 -4.968 6.939
102 HZ2 LYS 13 HZ2 LYS 13 4.681 -4.210 6.296
103 HZ3 LYS 13 HZ3 LYS 13 3.398 -4.640 5.281
104 H SER 14 HN SER 14 5.042 2.480 4.563
105 HA SER 14 HA SER 14 5.190 4.611 6.462
106 HB2 SER 14 HB2 SER 14 5.357 2.605 7.969
107 HB3 SER 14 HB1 SER 14 6.817 2.136 7.099
108 HG SER 14 HG SER 14 6.454 4.066 9.011
109 H ILE 15 HN ILE 15 7.481 2.233 5.214
110 HA ILE 15 HA ILE 15 8.497 3.703 3.076
111 HB ILE 15 HB ILE 15 9.344 5.268 4.802
112 HG12 ILE 15 HG12 ILE 15 11.903 4.972 4.167
113 HG13 ILE 15 HG11 ILE 15 11.248 3.785 3.043
114 HG21 ILE 15 HG21 ILE 15 9.677 3.778 6.671
115 HG22 ILE 15 HG22 ILE 15 11.170 4.645 6.313
116 HG23 ILE 15 HG23 ILE 15 10.990 2.961 5.822
117 HD11 ILE 15 HD11 ILE 15 11.510 5.920 1.953
118 HD12 ILE 15 HD12 ILE 15 10.523 6.704 3.187
119 HD13 ILE 15 HD13 ILE 15 9.796 5.528 2.092
120 HA PRO 16 HA PRO 16 9.753 3.329 1.307
121 HB2 PRO 16 HB2 PRO 16 9.406 1.033 -0.508
122 HB3 PRO 16 HB1 PRO 16 10.689 2.254 -0.494
123 HG2 PRO 16 HG2 PRO 16 11.167 -0.285 0.176
124 HG3 PRO 16 HG1 PRO 16 11.998 1.071 0.968
125 HD2 PRO 16 HD2 PRO 16 9.646 -0.515 1.940
126 HD3 PRO 16 HD1 PRO 16 11.117 -0.032 2.817
127 HA PRO 17 HA PRO 17 5.317 3.305 0.438
128 HB2 PRO 17 HB2 PRO 17 5.435 3.319 -2.497
129 HB3 PRO 17 HB1 PRO 17 4.924 4.610 -1.392
130 HG2 PRO 17 HG2 PRO 17 7.197 4.816 -2.793
131 HG3 PRO 17 HG1 PRO 17 7.073 5.439 -1.132
132 HD2 PRO 17 HD2 PRO 17 8.241 2.843 -2.085
133 HD3 PRO 17 HD1 PRO 17 8.927 4.034 -0.956
134 H ILE 18 HN ILE 18 3.463 2.129 -0.215
135 HA ILE 18 HA ILE 18 3.943 -0.481 -1.468
136 HB ILE 18 HB ILE 18 3.910 -0.440 1.140
137 HG12 ILE 18 HG12 ILE 18 2.352 -2.623 1.001
138 HG13 ILE 18 HG11 ILE 18 2.627 -2.369 -0.718
139 HG21 ILE 18 HG21 ILE 18 0.973 -0.175 0.582
140 HG22 ILE 18 HG22 ILE 18 1.984 0.808 1.644
141 HG23 ILE 18 HG23 ILE 18 1.614 -0.862 2.076
142 HD11 ILE 18 HD11 ILE 18 4.761 -2.700 1.377
143 HD12 ILE 18 HD12 ILE 18 5.036 -2.442 -0.346
144 HD13 ILE 18 HD13 ILE 18 4.244 -3.918 0.211
Start of MODEL 7
1 H CYS 1 HN CYS 1 0.198 -0.091 -0.063
2 HA CYS 1 HA CYS 1 -0.549 2.698 -0.247
3 HB2 CYS 1 HB2 CYS 1 -0.848 0.814 -2.586
4 HB3 CYS 1 HB1 CYS 1 -1.801 2.285 -2.425
5 H LYS 2 HN LYS 2 -2.065 -0.261 -1.355
6 HA LYS 2 HA LYS 2 -4.398 0.278 0.330
7 HB2 LYS 2 HB2 LYS 2 -4.097 -1.846 -1.810
8 HB3 LYS 2 HB1 LYS 2 -5.581 -1.411 -0.979
9 HG2 LYS 2 HG2 LYS 2 -5.522 0.801 -2.000
10 HG3 LYS 2 HG1 LYS 2 -4.013 0.392 -2.818
11 HD2 LYS 2 HD2 LYS 2 -5.177 -1.444 -3.985
12 HD3 LYS 2 HD1 LYS 2 -6.684 -0.962 -3.206
13 HE2 LYS 2 HE2 LYS 2 -6.743 0.004 -5.356
14 HE3 LYS 2 HE1 LYS 2 -6.336 1.318 -4.256
15 HZ1 LYS 2 HZ1 LYS 2 -4.960 1.369 -6.237
16 HZ2 LYS 2 HZ2 LYS 2 -4.404 -0.198 -5.928
17 HZ3 LYS 2 HZ3 LYS 2 -4.010 1.061 -4.872
18 H ARG 3 HN ARG 3 -5.067 -0.959 1.963
19 HA ARG 3 HA ARG 3 -3.611 -3.439 2.550
20 HB2 ARG 3 HB2 ARG 3 -4.110 -1.120 4.394
21 HB3 ARG 3 HB1 ARG 3 -3.932 -2.745 5.035
22 HG2 ARG 3 HG2 ARG 3 -1.724 -2.906 3.993
23 HG3 ARG 3 HG1 ARG 3 -1.907 -1.264 3.370
24 HD2 ARG 3 HD2 ARG 3 -2.064 -0.409 5.648
25 HD3 ARG 3 HD1 ARG 3 -1.923 -2.046 6.285
26 HE ARG 3 HE ARG 3 0.295 -1.560 4.662
27 HH11 ARG 3 HH11 ARG 3 -1.003 -0.400 7.712
28 HH12 ARG 3 HH12 ARG 3 0.554 0.003 8.353
29 HH21 ARG 3 HH21 ARG 3 2.323 -1.025 5.522
30 HH22 ARG 3 HH22 ARG 3 2.435 -0.352 7.113
31 HA PRO 4 HA PRO 4 -8.087 -3.846 4.339
32 HB2 PRO 4 HB2 PRO 4 -9.720 -1.632 3.395
33 HB3 PRO 4 HB1 PRO 4 -9.347 -2.086 5.066
34 HG2 PRO 4 HG2 PRO 4 -8.451 0.196 3.930
35 HG3 PRO 4 HG1 PRO 4 -7.567 -0.670 5.206
36 HD2 PRO 4 HD2 PRO 4 -7.122 -0.723 2.242
37 HD3 PRO 4 HD1 PRO 4 -5.937 -0.585 3.555
38 HA PRO 5 HA PRO 5 -9.997 -5.663 0.709
39 HB2 PRO 5 HB2 PRO 5 -12.731 -5.018 1.666
40 HB3 PRO 5 HB1 PRO 5 -12.010 -6.595 1.293
41 HG2 PRO 5 HG2 PRO 5 -12.459 -5.888 3.798
42 HG3 PRO 5 HG1 PRO 5 -10.986 -6.774 3.349
43 HD2 PRO 5 HD2 PRO 5 -11.325 -3.858 3.930
44 HD3 PRO 5 HD1 PRO 5 -10.028 -4.964 4.426
45 H GLY 6 HN GLY 6 -10.841 -2.417 1.496
46 HA2 GLY 6 HA2 GLY 6 -10.611 -1.030 -0.665
47 HA3 GLY 6 HA1 GLY 6 -12.011 -1.963 -1.170
48 H PHE 7 HN PHE 7 -10.841 0.341 1.242
49 HA PHE 7 HA PHE 7 -13.519 1.514 1.361
50 HB2 PHE 7 HB2 PHE 7 -11.858 0.734 3.757
51 HB3 PHE 7 HB1 PHE 7 -13.214 1.852 3.849
52 HD1 PHE 7 HD1 PHE 7 -15.491 1.070 3.608
53 HD2 PHE 7 HD2 PHE 7 -12.208 -1.628 3.391
54 HE1 PHE 7 HE1 PHE 7 -17.035 -0.826 3.884
55 HE2 PHE 7 HE2 PHE 7 -13.746 -3.529 3.667
56 HZ PHE 7 HZ PHE 7 -16.163 -3.129 3.913
57 H SER 8 HN SER 8 -10.094 1.848 1.975
58 HA SER 8 HA SER 8 -10.304 4.754 1.525
59 HB2 SER 8 HB2 SER 8 -8.627 3.407 3.659
60 HB3 SER 8 HB1 SER 8 -8.588 5.126 3.268
61 HG SER 8 HG SER 8 -10.406 3.700 4.738
62 HA PRO 9 HA PRO 9 -6.884 2.393 -1.046
63 HB2 PRO 9 HB2 PRO 9 -7.784 3.305 -3.510
64 HB3 PRO 9 HB1 PRO 9 -8.149 1.709 -2.827
65 HG2 PRO 9 HG2 PRO 9 -9.805 4.190 -2.801
66 HG3 PRO 9 HG1 PRO 9 -10.293 2.509 -3.106
67 HD2 PRO 9 HD2 PRO 9 -10.765 3.614 -0.751
68 HD3 PRO 9 HD1 PRO 9 -10.201 1.932 -0.859
69 H LEU 10 HN LEU 10 -5.170 3.616 -0.615
70 HA LEU 10 HA LEU 10 -4.760 6.106 -2.068
71 HB2 LEU 10 HB2 LEU 10 -4.648 5.931 0.951
72 HB3 LEU 10 HB1 LEU 10 -3.895 7.224 0.040
73 HG LEU 10 HG LEU 10 -6.815 6.711 -0.347
74 HD11 LEU 10 HD11 LEU 10 -7.329 8.202 1.529
75 HD12 LEU 10 HD12 LEU 10 -5.624 8.209 1.983
76 HD13 LEU 10 HD13 LEU 10 -6.552 6.712 2.070
77 HD21 LEU 10 HD21 LEU 10 -6.843 9.135 -0.686
78 HD22 LEU 10 HD22 LEU 10 -5.680 8.352 -1.755
79 HD23 LEU 10 HD23 LEU 10 -5.119 9.209 -0.319
80 H CYS 11 HN CYS 11 -2.399 6.914 -1.576
81 HA CYS 11 HA CYS 11 -0.626 4.596 -1.180
82 HB2 CYS 11 HB2 CYS 11 -0.655 6.546 -3.448
83 HB3 CYS 11 HB1 CYS 11 0.872 5.844 -2.927
84 H THR 12 HN THR 12 1.415 5.018 -0.336
85 HA THR 12 HA THR 12 1.646 7.504 1.152
86 HB THR 12 HB THR 12 3.569 6.127 2.243
87 HG1 THR 12 HG1 THR 12 2.046 3.886 1.567
88 HG21 THR 12 HG21 THR 12 0.671 5.341 2.649
89 HG22 THR 12 HG22 THR 12 1.479 6.714 3.406
90 HG23 THR 12 HG23 THR 12 1.977 5.069 3.802
91 H LYS 13 HN LYS 13 3.973 5.290 -0.309
92 HA LYS 13 HA LYS 13 5.138 7.350 -1.982
93 HB2 LYS 13 HB2 LYS 13 6.622 6.161 0.352
94 HB3 LYS 13 HB1 LYS 13 7.485 6.721 -1.069
95 HG2 LYS 13 HG2 LYS 13 6.541 8.955 -0.758
96 HG3 LYS 13 HG1 LYS 13 5.684 8.387 0.677
97 HD2 LYS 13 HD2 LYS 13 7.829 7.847 1.736
98 HD3 LYS 13 HD1 LYS 13 8.679 8.427 0.304
99 HE2 LYS 13 HE2 LYS 13 7.729 10.658 0.651
100 HE3 LYS 13 HE1 LYS 13 6.889 10.075 2.086
101 HZ1 LYS 13 HZ1 LYS 13 8.926 11.225 2.668
102 HZ2 LYS 13 HZ2 LYS 13 9.834 10.160 1.720
103 HZ3 LYS 13 HZ3 LYS 13 9.031 9.593 3.096
104 H SER 14 HN SER 14 4.070 4.333 -1.602
105 HA SER 14 HA SER 14 4.033 2.475 -2.876
106 HB2 SER 14 HB2 SER 14 5.976 3.902 -4.696
107 HB3 SER 14 HB1 SER 14 5.174 2.376 -5.068
108 HG SER 14 HG SER 14 3.543 4.487 -4.293
109 H ILE 15 HN ILE 15 7.304 3.666 -2.390
110 HA ILE 15 HA ILE 15 8.098 1.160 -1.190
111 HB ILE 15 HB ILE 15 8.477 0.701 -3.595
112 HG12 ILE 15 HG12 ILE 15 11.058 0.283 -3.417
113 HG13 ILE 15 HG11 ILE 15 10.844 0.825 -1.758
114 HG21 ILE 15 HG21 ILE 15 10.411 3.009 -3.540
115 HG22 ILE 15 HG22 ILE 15 8.895 2.923 -4.437
116 HG23 ILE 15 HG23 ILE 15 10.231 1.855 -4.861
117 HD11 ILE 15 HD11 ILE 15 10.731 -1.542 -1.758
118 HD12 ILE 15 HD12 ILE 15 9.583 -1.552 -3.096
119 HD13 ILE 15 HD13 ILE 15 9.085 -0.952 -1.515
120 HA PRO 16 HA PRO 16 9.935 0.328 0.204
121 HB2 PRO 16 HB2 PRO 16 9.868 1.452 2.950
122 HB3 PRO 16 HB1 PRO 16 10.921 0.202 2.262
123 HG2 PRO 16 HG2 PRO 16 11.880 2.600 2.750
124 HG3 PRO 16 HG1 PRO 16 12.330 1.738 1.263
125 HD2 PRO 16 HD2 PRO 16 10.345 3.950 1.628
126 HD3 PRO 16 HD1 PRO 16 11.565 3.732 0.357
127 HA PRO 17 HA PRO 17 5.823 1.028 2.991
128 HB2 PRO 17 HB2 PRO 17 4.303 3.102 1.917
129 HB3 PRO 17 HB1 PRO 17 5.255 3.200 3.410
130 HG2 PRO 17 HG2 PRO 17 5.980 4.090 0.652
131 HG3 PRO 17 HG1 PRO 17 6.266 4.901 2.209
132 HD2 PRO 17 HD2 PRO 17 8.233 3.624 0.997
133 HD3 PRO 17 HD1 PRO 17 8.040 3.499 2.758
134 H ILE 18 HN ILE 18 3.322 1.431 1.982
135 HA ILE 18 HA ILE 18 3.233 -0.034 -0.577
136 HB ILE 18 HB ILE 18 1.090 -0.599 1.420
137 HG12 ILE 18 HG12 ILE 18 3.286 -2.517 1.671
138 HG13 ILE 18 HG11 ILE 18 3.692 -0.921 2.296
139 HG21 ILE 18 HG21 ILE 18 1.159 -2.828 0.388
140 HG22 ILE 18 HG22 ILE 18 2.536 -2.324 -0.593
141 HG23 ILE 18 HG23 ILE 18 0.966 -1.549 -0.811
142 HD11 ILE 18 HD11 ILE 18 2.782 -2.352 4.033
143 HD12 ILE 18 HD12 ILE 18 1.306 -2.569 3.092
144 HD13 ILE 18 HD13 ILE 18 1.722 -0.976 3.724
Start of MODEL 8
1 H CYS 1 HN CYS 1 1.648 -1.356 -0.681
2 HA CYS 1 HA CYS 1 -0.453 0.266 -1.868
3 HB2 CYS 1 HB2 CYS 1 1.283 -1.545 -3.459
4 HB3 CYS 1 HB1 CYS 1 -0.446 -1.614 -3.791
5 H LYS 2 HN LYS 2 -2.455 -0.858 -2.158
6 HA LYS 2 HA LYS 2 -4.162 -2.205 -1.538
7 HB2 LYS 2 HB2 LYS 2 -1.967 -4.270 -1.352
8 HB3 LYS 2 HB1 LYS 2 -3.656 -4.650 -1.051
9 HG2 LYS 2 HG2 LYS 2 -4.221 -3.944 -3.321
10 HG3 LYS 2 HG1 LYS 2 -2.524 -3.563 -3.622
11 HD2 LYS 2 HD2 LYS 2 -1.932 -5.907 -3.236
12 HD3 LYS 2 HD1 LYS 2 -3.629 -6.286 -2.934
13 HE2 LYS 2 HE2 LYS 2 -4.187 -5.590 -5.213
14 HE3 LYS 2 HE1 LYS 2 -2.492 -5.209 -5.514
15 HZ1 LYS 2 HZ1 LYS 2 -3.078 -7.375 -6.400
16 HZ2 LYS 2 HZ2 LYS 2 -3.572 -7.900 -4.869
17 HZ3 LYS 2 HZ3 LYS 2 -1.946 -7.537 -5.154
18 H ARG 3 HN ARG 3 -5.134 -1.583 0.229
19 HA ARG 3 HA ARG 3 -4.052 -2.409 2.836
20 HB2 ARG 3 HB2 ARG 3 -5.049 0.309 2.009
21 HB3 ARG 3 HB1 ARG 3 -5.083 -0.193 3.694
22 HG2 ARG 3 HG2 ARG 3 -2.648 -0.572 3.600
23 HG3 ARG 3 HG1 ARG 3 -2.644 0.023 1.940
24 HD2 ARG 3 HD2 ARG 3 -3.464 2.184 2.687
25 HD3 ARG 3 HD1 ARG 3 -3.560 1.595 4.346
26 HE ARG 3 HE ARG 3 -0.933 1.340 3.245
27 HH11 ARG 3 HH11 ARG 3 -3.110 3.628 4.783
28 HH12 ARG 3 HH12 ARG 3 -1.824 4.617 5.390
29 HH21 ARG 3 HH21 ARG 3 0.732 2.649 4.052
30 HH22 ARG 3 HH22 ARG 3 0.349 4.063 4.977
31 HA PRO 4 HA PRO 4 -8.094 -4.040 3.850
32 HB2 PRO 4 HB2 PRO 4 -8.122 -2.384 6.334
33 HB3 PRO 4 HB1 PRO 4 -8.315 -4.138 6.147
34 HG2 PRO 4 HG2 PRO 4 -6.072 -3.153 7.107
35 HG3 PRO 4 HG1 PRO 4 -6.046 -4.510 5.959
36 HD2 PRO 4 HD2 PRO 4 -5.455 -1.620 5.475
37 HD3 PRO 4 HD1 PRO 4 -4.638 -3.063 4.840
38 HA PRO 5 HA PRO 5 -11.338 -1.184 2.685
39 HB2 PRO 5 HB2 PRO 5 -13.137 -2.248 4.789
40 HB3 PRO 5 HB1 PRO 5 -13.351 -2.226 3.029
41 HG2 PRO 5 HG2 PRO 5 -12.830 -4.489 4.299
42 HG3 PRO 5 HG1 PRO 5 -12.115 -4.140 2.710
43 HD2 PRO 5 HD2 PRO 5 -10.859 -3.963 5.420
44 HD3 PRO 5 HD1 PRO 5 -10.188 -4.591 3.902
45 H GLY 6 HN GLY 6 -11.658 0.891 3.096
46 HA2 GLY 6 HA2 GLY 6 -12.092 1.814 5.847
47 HA3 GLY 6 HA1 GLY 6 -10.751 2.504 4.943
48 H PHE 7 HN PHE 7 -11.142 3.945 3.277
49 HA PHE 7 HA PHE 7 -13.929 4.743 2.838
50 HB2 PHE 7 HB2 PHE 7 -12.541 6.236 4.467
51 HB3 PHE 7 HB1 PHE 7 -11.767 6.817 2.998
52 HD1 PHE 7 HD1 PHE 7 -12.987 8.165 1.398
53 HD2 PHE 7 HD2 PHE 7 -14.850 6.756 4.955
54 HE1 PHE 7 HE1 PHE 7 -14.829 9.761 1.060
55 HE2 PHE 7 HE2 PHE 7 -16.696 8.350 4.624
56 HZ PHE 7 HZ PHE 7 -16.687 9.854 2.674
57 H SER 8 HN SER 8 -10.613 5.166 1.700
58 HA SER 8 HA SER 8 -11.495 4.736 -1.041
59 HB2 SER 8 HB2 SER 8 -10.245 6.718 -1.870
60 HB3 SER 8 HB1 SER 8 -11.511 7.192 -0.740
61 HG SER 8 HG SER 8 -9.459 6.826 0.769
62 HA PRO 9 HA PRO 9 -7.507 2.605 -1.155
63 HB2 PRO 9 HB2 PRO 9 -6.821 3.152 -3.902
64 HB3 PRO 9 HB1 PRO 9 -7.605 1.706 -3.245
65 HG2 PRO 9 HG2 PRO 9 -8.847 3.430 -4.936
66 HG3 PRO 9 HG1 PRO 9 -9.703 2.450 -3.726
67 HD2 PRO 9 HD2 PRO 9 -8.827 5.316 -3.554
68 HD3 PRO 9 HD1 PRO 9 -10.405 4.599 -3.145
69 H LEU 10 HN LEU 10 -5.402 2.909 -0.669
70 HA LEU 10 HA LEU 10 -4.057 5.367 -1.559
71 HB2 LEU 10 HB2 LEU 10 -4.162 4.307 1.267
72 HB3 LEU 10 HB1 LEU 10 -3.028 5.529 0.731
73 HG LEU 10 HG LEU 10 -5.949 6.025 0.337
74 HD11 LEU 10 HD11 LEU 10 -6.096 6.988 2.586
75 HD12 LEU 10 HD12 LEU 10 -4.489 6.362 2.954
76 HD13 LEU 10 HD13 LEU 10 -5.817 5.247 2.636
77 HD21 LEU 10 HD21 LEU 10 -3.605 7.799 1.027
78 HD22 LEU 10 HD22 LEU 10 -5.255 8.341 0.721
79 HD23 LEU 10 HD23 LEU 10 -4.317 7.597 -0.575
80 H CYS 11 HN CYS 11 -1.896 5.180 -1.986
81 HA CYS 11 HA CYS 11 -0.637 2.573 -1.488
82 HB2 CYS 11 HB2 CYS 11 -1.072 3.941 -4.078
83 HB3 CYS 11 HB1 CYS 11 0.522 3.236 -3.843
84 H THR 12 HN THR 12 -0.127 4.466 0.283
85 HA THR 12 HA THR 12 2.686 5.007 -0.129
86 HB THR 12 HB THR 12 1.317 7.429 0.888
87 HG1 THR 12 HG1 THR 12 1.330 6.839 -1.912
88 HG21 THR 12 HG21 THR 12 3.094 8.523 -0.436
89 HG22 THR 12 HG22 THR 12 3.564 6.958 -1.097
90 HG23 THR 12 HG23 THR 12 3.761 7.281 0.625
91 H LYS 13 HN LYS 13 3.843 5.296 1.742
92 HA LYS 13 HA LYS 13 2.432 5.300 4.296
93 HB2 LYS 13 HB2 LYS 13 3.109 2.911 3.451
94 HB3 LYS 13 HB1 LYS 13 4.726 3.399 3.934
95 HG2 LYS 13 HG2 LYS 13 4.015 3.709 6.211
96 HG3 LYS 13 HG1 LYS 13 2.332 3.415 5.767
97 HD2 LYS 13 HD2 LYS 13 2.802 1.129 5.238
98 HD3 LYS 13 HD1 LYS 13 4.539 1.391 5.416
99 HE2 LYS 13 HE2 LYS 13 4.218 1.865 7.796
100 HE3 LYS 13 HE1 LYS 13 2.483 1.608 7.613
101 HZ1 LYS 13 HZ1 LYS 13 4.587 -0.436 7.149
102 HZ2 LYS 13 HZ2 LYS 13 2.922 -0.681 6.984
103 HZ3 LYS 13 HZ3 LYS 13 3.579 -0.348 8.507
104 H SER 14 HN SER 14 5.780 4.839 3.273
105 HA SER 14 HA SER 14 6.602 7.484 4.008
106 HB2 SER 14 HB2 SER 14 7.559 5.159 5.698
107 HB3 SER 14 HB1 SER 14 8.248 6.782 5.742
108 HG SER 14 HG SER 14 5.561 6.855 6.037
109 H ILE 15 HN ILE 15 8.294 4.391 4.006
110 HA ILE 15 HA ILE 15 9.296 4.436 1.401
111 HB ILE 15 HB ILE 15 10.555 6.444 2.133
112 HG12 ILE 15 HG12 ILE 15 12.954 5.416 1.690
113 HG13 ILE 15 HG11 ILE 15 12.020 3.976 1.308
114 HG21 ILE 15 HG21 ILE 15 12.403 6.289 3.734
115 HG22 ILE 15 HG22 ILE 15 11.910 4.643 4.130
116 HG23 ILE 15 HG23 ILE 15 10.835 5.996 4.487
117 HD11 ILE 15 HD11 ILE 15 12.479 5.210 -0.702
118 HD12 ILE 15 HD12 ILE 15 11.786 6.675 -0.005
119 HD13 ILE 15 HD13 ILE 15 10.752 5.289 -0.354
120 HA PRO 16 HA PRO 16 10.338 3.028 0.024
121 HB2 PRO 16 HB2 PRO 16 9.431 0.254 -0.412
122 HB3 PRO 16 HB1 PRO 16 10.884 1.060 -1.028
123 HG2 PRO 16 HG2 PRO 16 11.040 -0.867 0.802
124 HG3 PRO 16 HG1 PRO 16 12.136 0.531 0.824
125 HD2 PRO 16 HD2 PRO 16 9.666 0.058 2.457
126 HD3 PRO 16 HD1 PRO 16 11.267 0.624 2.982
127 HA PRO 17 HA PRO 17 5.910 3.465 -0.780
128 HB2 PRO 17 HB2 PRO 17 5.764 1.892 -3.268
129 HB3 PRO 17 HB1 PRO 17 5.528 3.634 -3.026
130 HG2 PRO 17 HG2 PRO 17 7.686 2.723 -4.302
131 HG3 PRO 17 HG1 PRO 17 7.791 4.113 -3.197
132 HD2 PRO 17 HD2 PRO 17 8.485 1.240 -2.675
133 HD3 PRO 17 HD1 PRO 17 9.426 2.705 -2.313
134 H ILE 18 HN ILE 18 3.824 2.518 -0.747
135 HA ILE 18 HA ILE 18 3.728 -0.391 -0.309
136 HB ILE 18 HB ILE 18 2.509 1.753 1.460
137 HG12 ILE 18 HG12 ILE 18 4.849 1.420 1.977
138 HG13 ILE 18 HG11 ILE 18 3.883 0.724 3.264
139 HG21 ILE 18 HG21 ILE 18 1.617 -0.043 2.886
140 HG22 ILE 18 HG22 ILE 18 2.137 -1.237 1.697
141 HG23 ILE 18 HG23 ILE 18 0.899 -0.055 1.274
142 HD11 ILE 18 HD11 ILE 18 5.658 -0.773 2.904
143 HD12 ILE 18 HD12 ILE 18 5.472 -0.704 1.151
144 HD13 ILE 18 HD13 ILE 18 4.257 -1.522 2.134
Start of MODEL 9
1 H CYS 1 HN CYS 1 1.481 -1.419 -1.024
2 HA CYS 1 HA CYS 1 -0.819 0.145 -1.891
3 HB2 CYS 1 HB2 CYS 1 0.732 -1.596 -3.824
4 HB3 CYS 1 HB1 CYS 1 -0.855 -0.907 -4.148
5 H LYS 2 HN LYS 2 -2.716 -1.015 -2.087
6 HA LYS 2 HA LYS 2 -4.275 -2.567 -1.580
7 HB2 LYS 2 HB2 LYS 2 -2.051 -4.467 -2.335
8 HB3 LYS 2 HB1 LYS 2 -3.671 -5.008 -1.924
9 HG2 LYS 2 HG2 LYS 2 -4.576 -3.686 -3.780
10 HG3 LYS 2 HG1 LYS 2 -2.940 -3.169 -4.196
11 HD2 LYS 2 HD2 LYS 2 -2.309 -5.500 -4.602
12 HD3 LYS 2 HD1 LYS 2 -3.943 -6.018 -4.181
13 HE2 LYS 2 HE2 LYS 2 -4.833 -4.713 -6.052
14 HE3 LYS 2 HE1 LYS 2 -3.200 -4.199 -6.471
15 HZ1 LYS 2 HZ1 LYS 2 -2.620 -6.509 -6.889
16 HZ2 LYS 2 HZ2 LYS 2 -3.928 -6.038 -7.854
17 HZ3 LYS 2 HZ3 LYS 2 -4.188 -7.001 -6.487
18 H ARG 3 HN ARG 3 -4.595 -2.021 0.525
19 HA ARG 3 HA ARG 3 -3.612 -3.942 2.494
20 HB2 ARG 3 HB2 ARG 3 -2.414 -1.508 2.394
21 HB3 ARG 3 HB1 ARG 3 -3.732 -1.167 3.506
22 HG2 ARG 3 HG2 ARG 3 -3.008 -3.053 4.912
23 HG3 ARG 3 HG1 ARG 3 -1.646 -3.313 3.818
24 HD2 ARG 3 HD2 ARG 3 -0.826 -1.062 4.304
25 HD3 ARG 3 HD1 ARG 3 -2.193 -0.793 5.385
26 HE ARG 3 HE ARG 3 -0.607 -3.096 6.065
27 HH11 ARG 3 HH11 ARG 3 -0.932 0.371 6.527
28 HH12 ARG 3 HH12 ARG 3 -0.047 0.370 8.016
29 HH21 ARG 3 HH21 ARG 3 0.547 -3.072 8.015
30 HH22 ARG 3 HH22 ARG 3 0.788 -1.577 8.857
31 HA PRO 4 HA PRO 4 -7.701 -2.024 4.157
32 HB2 PRO 4 HB2 PRO 4 -8.829 -0.152 2.251
33 HB3 PRO 4 HB1 PRO 4 -8.282 0.164 3.906
34 HG2 PRO 4 HG2 PRO 4 -7.047 1.180 1.718
35 HG3 PRO 4 HG1 PRO 4 -6.209 0.832 3.245
36 HD2 PRO 4 HD2 PRO 4 -6.317 -0.813 0.742
37 HD3 PRO 4 HD1 PRO 4 -4.924 -0.432 1.779
38 HA PRO 5 HA PRO 5 -10.495 -4.595 1.780
39 HB2 PRO 5 HB2 PRO 5 -12.902 -3.483 2.975
40 HB3 PRO 5 HB1 PRO 5 -12.135 -5.048 3.288
41 HG2 PRO 5 HG2 PRO 5 -12.210 -3.067 5.119
42 HG3 PRO 5 HG1 PRO 5 -10.893 -4.253 5.025
43 HD2 PRO 5 HD2 PRO 5 -10.966 -1.436 4.011
44 HD3 PRO 5 HD1 PRO 5 -9.669 -2.295 4.870
45 H GLY 6 HN GLY 6 -11.323 -1.200 1.881
46 HA2 GLY 6 HA2 GLY 6 -11.514 -0.533 -0.681
47 HA3 GLY 6 HA1 GLY 6 -13.031 -1.396 -0.479
48 H PHE 7 HN PHE 7 -11.319 0.830 1.703
49 HA PHE 7 HA PHE 7 -13.518 2.755 1.453
50 HB2 PHE 7 HB2 PHE 7 -12.424 1.641 4.037
51 HB3 PHE 7 HB1 PHE 7 -13.393 3.108 3.955
52 HD1 PHE 7 HD1 PHE 7 -15.761 3.010 3.464
53 HD2 PHE 7 HD2 PHE 7 -13.412 -0.534 3.666
54 HE1 PHE 7 HE1 PHE 7 -17.814 1.660 3.587
55 HE2 PHE 7 HE2 PHE 7 -15.462 -1.890 3.789
56 HZ PHE 7 HZ PHE 7 -17.666 -0.793 3.749
57 H SER 8 HN SER 8 -10.214 2.067 2.238
58 HA SER 8 HA SER 8 -9.511 4.911 1.891
59 HB2 SER 8 HB2 SER 8 -8.376 3.034 3.981
60 HB3 SER 8 HB1 SER 8 -7.805 4.671 3.664
61 HG SER 8 HG SER 8 -9.939 5.393 4.206
62 HA PRO 9 HA PRO 9 -6.799 1.689 -0.546
63 HB2 PRO 9 HB2 PRO 9 -8.031 2.755 -3.011
64 HB3 PRO 9 HB1 PRO 9 -7.760 1.071 -2.525
65 HG2 PRO 9 HG2 PRO 9 -10.206 2.085 -2.585
66 HG3 PRO 9 HG1 PRO 9 -9.707 0.960 -1.302
67 HD2 PRO 9 HD2 PRO 9 -9.918 3.946 -1.207
68 HD3 PRO 9 HD1 PRO 9 -10.488 2.740 -0.031
69 H LEU 10 HN LEU 10 -4.847 2.477 -0.625
70 HA LEU 10 HA LEU 10 -4.262 4.893 -2.182
71 HB2 LEU 10 HB2 LEU 10 -3.312 4.339 0.637
72 HB3 LEU 10 HB1 LEU 10 -2.612 5.566 -0.400
73 HG LEU 10 HG LEU 10 -5.549 5.666 0.142
74 HD11 LEU 10 HD11 LEU 10 -4.583 5.320 2.345
75 HD12 LEU 10 HD12 LEU 10 -5.137 6.985 2.167
76 HD13 LEU 10 HD13 LEU 10 -3.417 6.613 2.055
77 HD21 LEU 10 HD21 LEU 10 -5.148 8.074 -0.030
78 HD22 LEU 10 HD22 LEU 10 -4.557 7.223 -1.457
79 HD23 LEU 10 HD23 LEU 10 -3.421 7.775 -0.226
80 H CYS 11 HN CYS 11 -1.831 5.069 -2.605
81 HA CYS 11 HA CYS 11 -0.592 2.405 -2.693
82 HB2 CYS 11 HB2 CYS 11 -1.527 3.868 -4.932
83 HB3 CYS 11 HB1 CYS 11 0.233 3.896 -4.994
84 H THR 12 HN THR 12 -0.153 4.691 -0.886
85 HA THR 12 HA THR 12 2.726 4.670 -0.982
86 HB THR 12 HB THR 12 1.660 7.460 -0.758
87 HG1 THR 12 HG1 THR 12 2.171 6.127 -3.243
88 HG21 THR 12 HG21 THR 12 3.883 7.975 -1.719
89 HG22 THR 12 HG22 THR 12 4.206 6.251 -1.898
90 HG23 THR 12 HG23 THR 12 4.031 6.952 -0.291
91 H LYS 13 HN LYS 13 3.714 5.341 0.944
92 HA LYS 13 HA LYS 13 1.968 5.932 3.219
93 HB2 LYS 13 HB2 LYS 13 2.715 3.420 2.935
94 HB3 LYS 13 HB1 LYS 13 4.237 4.009 3.583
95 HG2 LYS 13 HG2 LYS 13 3.075 4.808 5.584
96 HG3 LYS 13 HG1 LYS 13 1.547 4.215 4.930
97 HD2 LYS 13 HD2 LYS 13 2.419 1.935 4.937
98 HD3 LYS 13 HD1 LYS 13 3.966 2.519 5.551
99 HE2 LYS 13 HE2 LYS 13 2.800 1.676 7.423
100 HE3 LYS 13 HE1 LYS 13 2.692 3.431 7.534
101 HZ1 LYS 13 HZ1 LYS 13 0.568 1.628 6.496
102 HZ2 LYS 13 HZ2 LYS 13 0.463 3.313 6.601
103 HZ3 LYS 13 HZ3 LYS 13 0.570 2.385 8.010
104 H SER 14 HN SER 14 5.383 5.354 2.526
105 HA SER 14 HA SER 14 6.154 8.067 3.030
106 HB2 SER 14 HB2 SER 14 7.061 5.929 4.974
107 HB3 SER 14 HB1 SER 14 7.725 7.560 4.892
108 HG SER 14 HG SER 14 5.093 6.779 5.595
109 H ILE 15 HN ILE 15 7.871 5.012 3.412
110 HA ILE 15 HA ILE 15 8.952 4.770 0.860
111 HB ILE 15 HB ILE 15 10.156 6.876 1.358
112 HG12 ILE 15 HG12 ILE 15 12.586 5.839 1.113
113 HG13 ILE 15 HG11 ILE 15 11.677 4.350 0.886
114 HG21 ILE 15 HG21 ILE 15 10.383 6.738 3.758
115 HG22 ILE 15 HG22 ILE 15 11.964 6.966 3.012
116 HG23 ILE 15 HG23 ILE 15 11.490 5.374 3.603
117 HD11 ILE 15 HD11 ILE 15 10.460 5.389 -0.968
118 HD12 ILE 15 HD12 ILE 15 12.202 5.371 -1.242
119 HD13 ILE 15 HD13 ILE 15 11.403 6.864 -0.747
120 HA PRO 16 HA PRO 16 9.929 3.203 -0.317
121 HB2 PRO 16 HB2 PRO 16 9.048 0.391 -0.392
122 HB3 PRO 16 HB1 PRO 16 10.489 1.124 -1.115
123 HG2 PRO 16 HG2 PRO 16 10.668 -0.562 0.942
124 HG3 PRO 16 HG1 PRO 16 11.763 0.825 0.768
125 HD2 PRO 16 HD2 PRO 16 9.321 0.567 2.489
126 HD3 PRO 16 HD1 PRO 16 10.929 1.200 2.908
127 HA PRO 17 HA PRO 17 5.472 3.480 -1.013
128 HB2 PRO 17 HB2 PRO 17 5.281 1.791 -3.406
129 HB3 PRO 17 HB1 PRO 17 5.101 3.549 -3.261
130 HG2 PRO 17 HG2 PRO 17 7.213 2.474 -4.513
131 HG3 PRO 17 HG1 PRO 17 7.363 3.954 -3.537
132 HD2 PRO 17 HD2 PRO 17 8.015 1.125 -2.774
133 HD3 PRO 17 HD1 PRO 17 8.988 2.597 -2.559
134 H ILE 18 HN ILE 18 3.409 2.501 -0.898
135 HA ILE 18 HA ILE 18 3.342 -0.392 -0.357
136 HB ILE 18 HB ILE 18 2.227 1.807 1.398
137 HG12 ILE 18 HG12 ILE 18 4.560 1.374 1.874
138 HG13 ILE 18 HG11 ILE 18 3.590 0.743 3.193
139 HG21 ILE 18 HG21 ILE 18 1.719 -1.162 1.667
140 HG22 ILE 18 HG22 ILE 18 0.532 0.076 1.262
141 HG23 ILE 18 HG23 ILE 18 1.277 0.061 2.860
142 HD11 ILE 18 HD11 ILE 18 5.084 -0.781 1.079
143 HD12 ILE 18 HD12 ILE 18 3.834 -1.536 2.068
144 HD13 ILE 18 HD13 ILE 18 5.270 -0.851 2.831
Start of MODEL 10
1 H CYS 1 HN CYS 1 0.807 -0.375 -2.091
2 HA CYS 1 HA CYS 1 -1.115 1.708 -1.457
3 HB2 CYS 1 HB2 CYS 1 -0.151 1.172 -4.257
4 HB3 CYS 1 HB1 CYS 1 -1.768 1.802 -3.958
5 H LYS 2 HN LYS 2 -3.210 1.048 -1.501
6 HA LYS 2 HA LYS 2 -4.992 -0.333 -1.368
7 HB2 LYS 2 HB2 LYS 2 -3.591 -1.681 -3.678
8 HB3 LYS 2 HB1 LYS 2 -5.148 -2.227 -3.072
9 HG2 LYS 2 HG2 LYS 2 -6.119 -0.049 -3.573
10 HG3 LYS 2 HG1 LYS 2 -4.555 0.517 -4.162
11 HD2 LYS 2 HD2 LYS 2 -4.591 -1.197 -5.907
12 HD3 LYS 2 HD1 LYS 2 -6.150 -1.773 -5.313
13 HE2 LYS 2 HE2 LYS 2 -7.146 0.403 -5.816
14 HE3 LYS 2 HE1 LYS 2 -5.588 0.984 -6.401
15 HZ1 LYS 2 HZ1 LYS 2 -7.013 0.298 -8.224
16 HZ2 LYS 2 HZ2 LYS 2 -7.149 -1.257 -7.572
17 HZ3 LYS 2 HZ3 LYS 2 -5.652 -0.704 -8.132
18 H ARG 3 HN ARG 3 -4.444 -0.933 0.738
19 HA ARG 3 HA ARG 3 -3.722 -3.759 0.997
20 HB2 ARG 3 HB2 ARG 3 -2.176 -1.547 1.993
21 HB3 ARG 3 HB1 ARG 3 -2.763 -2.518 3.338
22 HG2 ARG 3 HG2 ARG 3 -1.847 -4.532 2.147
23 HG3 ARG 3 HG1 ARG 3 -1.082 -3.416 1.014
24 HD2 ARG 3 HD2 ARG 3 0.595 -3.840 2.574
25 HD3 ARG 3 HD1 ARG 3 -0.086 -2.305 3.109
26 HE ARG 3 HE ARG 3 -1.473 -4.250 4.478
27 HH11 ARG 3 HH11 ARG 3 1.897 -3.280 4.253
28 HH12 ARG 3 HH12 ARG 3 2.273 -3.803 5.862
29 HH21 ARG 3 HH21 ARG 3 -0.955 -4.929 6.580
30 HH22 ARG 3 HH22 ARG 3 0.659 -4.735 7.176
31 HA PRO 4 HA PRO 4 -6.630 -2.722 4.658
32 HB2 PRO 4 HB2 PRO 4 -7.398 0.047 4.760
33 HB3 PRO 4 HB1 PRO 4 -6.393 -0.844 5.913
34 HG2 PRO 4 HG2 PRO 4 -5.473 1.189 4.333
35 HG3 PRO 4 HG1 PRO 4 -4.455 -0.099 5.009
36 HD2 PRO 4 HD2 PRO 4 -5.603 0.146 2.256
37 HD3 PRO 4 HD1 PRO 4 -3.988 -0.394 2.762
38 HA PRO 5 HA PRO 5 -10.121 -2.797 1.678
39 HB2 PRO 5 HB2 PRO 5 -11.462 -4.431 3.729
40 HB3 PRO 5 HB1 PRO 5 -11.052 -4.848 2.056
41 HG2 PRO 5 HG2 PRO 5 -9.790 -5.961 4.130
42 HG3 PRO 5 HG1 PRO 5 -8.961 -5.600 2.601
43 HD2 PRO 5 HD2 PRO 5 -8.895 -4.086 5.181
44 HD3 PRO 5 HD1 PRO 5 -7.574 -4.466 4.055
45 H GLY 6 HN GLY 6 -11.583 -1.232 1.522
46 HA2 GLY 6 HA2 GLY 6 -13.377 -0.606 3.707
47 HA3 GLY 6 HA1 GLY 6 -12.254 0.681 3.298
48 H PHE 7 HN PHE 7 -12.695 1.990 1.624
49 HA PHE 7 HA PHE 7 -14.812 1.235 -0.258
50 HB2 PHE 7 HB2 PHE 7 -14.699 3.794 1.335
51 HB3 PHE 7 HB1 PHE 7 -15.693 3.603 -0.105
52 HD1 PHE 7 HD1 PHE 7 -17.669 2.208 -0.075
53 HD2 PHE 7 HD2 PHE 7 -15.257 2.668 3.400
54 HE1 PHE 7 HE1 PHE 7 -19.476 1.260 1.299
55 HE2 PHE 7 HE2 PHE 7 -17.059 1.720 4.781
56 HZ PHE 7 HZ PHE 7 -19.173 1.016 3.731
57 H SER 8 HN SER 8 -12.105 3.316 0.492
58 HA SER 8 HA SER 8 -11.686 3.726 -2.386
59 HB2 SER 8 HB2 SER 8 -10.762 5.968 -1.870
60 HB3 SER 8 HB1 SER 8 -12.421 5.818 -1.290
61 HG SER 8 HG SER 8 -11.031 6.768 0.269
62 HA PRO 9 HA PRO 9 -7.541 2.151 -1.535
63 HB2 PRO 9 HB2 PRO 9 -6.064 3.871 -3.322
64 HB3 PRO 9 HB1 PRO 9 -6.646 2.226 -3.626
65 HG2 PRO 9 HG2 PRO 9 -7.585 4.396 -4.955
66 HG3 PRO 9 HG1 PRO 9 -8.552 2.938 -4.655
67 HD2 PRO 9 HD2 PRO 9 -8.514 5.520 -3.127
68 HD3 PRO 9 HD1 PRO 9 -9.912 4.586 -3.715
69 H LEU 10 HN LEU 10 -5.625 2.393 -0.405
70 HA LEU 10 HA LEU 10 -4.916 5.087 0.536
71 HB2 LEU 10 HB2 LEU 10 -5.257 2.615 2.238
72 HB3 LEU 10 HB1 LEU 10 -4.455 4.071 2.791
73 HG LEU 10 HG LEU 10 -6.757 5.190 2.092
74 HD11 LEU 10 HD11 LEU 10 -7.546 2.356 2.756
75 HD12 LEU 10 HD12 LEU 10 -7.748 3.152 1.195
76 HD13 LEU 10 HD13 LEU 10 -8.646 3.725 2.601
77 HD21 LEU 10 HD21 LEU 10 -7.501 4.917 4.413
78 HD22 LEU 10 HD22 LEU 10 -5.775 5.269 4.311
79 HD23 LEU 10 HD23 LEU 10 -6.322 3.624 4.631
80 H CYS 11 HN CYS 11 -2.753 5.468 0.850
81 HA CYS 11 HA CYS 11 -0.896 3.247 0.320
82 HB2 CYS 11 HB2 CYS 11 -0.653 6.043 -0.813
83 HB3 CYS 11 HB1 CYS 11 0.493 4.730 -1.050
84 H THR 12 HN THR 12 0.667 3.044 1.764
85 HA THR 12 HA THR 12 1.000 5.062 3.833
86 HB THR 12 HB THR 12 2.639 3.078 4.629
87 HG1 THR 12 HG1 THR 12 0.562 1.586 3.431
88 HG21 THR 12 HG21 THR 12 -0.376 3.064 4.901
89 HG22 THR 12 HG22 THR 12 0.747 3.973 5.909
90 HG23 THR 12 HG23 THR 12 0.752 2.210 5.955
91 H LYS 13 HN LYS 13 3.391 5.262 4.676
92 HA LYS 13 HA LYS 13 5.073 5.834 2.331
93 HB2 LYS 13 HB2 LYS 13 4.815 7.248 4.967
94 HB3 LYS 13 HB1 LYS 13 6.197 7.507 3.911
95 HG2 LYS 13 HG2 LYS 13 4.694 8.260 2.132
96 HG3 LYS 13 HG1 LYS 13 3.311 8.008 3.198
97 HD2 LYS 13 HD2 LYS 13 4.217 9.667 4.756
98 HD3 LYS 13 HD1 LYS 13 5.599 9.917 3.687
99 HE2 LYS 13 HE2 LYS 13 4.086 10.682 1.921
100 HE3 LYS 13 HE1 LYS 13 2.708 10.433 2.992
101 HZ1 LYS 13 HZ1 LYS 13 3.619 12.099 4.488
102 HZ2 LYS 13 HZ2 LYS 13 3.383 12.749 2.944
103 HZ3 LYS 13 HZ3 LYS 13 4.940 12.337 3.457
104 H SER 14 HN SER 14 5.020 4.155 5.363
105 HA SER 14 HA SER 14 7.855 3.442 4.974
106 HB2 SER 14 HB2 SER 14 6.351 3.658 7.594
107 HB3 SER 14 HB1 SER 14 8.018 3.110 7.424
108 HG SER 14 HG SER 14 7.845 5.409 6.157
109 H ILE 15 HN ILE 15 7.440 1.645 3.716
110 HA ILE 15 HA ILE 15 6.559 -0.707 5.196
111 HB ILE 15 HB ILE 15 5.572 -0.609 2.380
112 HG12 ILE 15 HG12 ILE 15 3.288 0.123 3.467
113 HG13 ILE 15 HG11 ILE 15 4.325 0.911 4.649
114 HG21 ILE 15 HG21 ILE 15 5.448 -2.679 3.627
115 HG22 ILE 15 HG22 ILE 15 3.826 -2.071 3.296
116 HG23 ILE 15 HG23 ILE 15 4.527 -1.883 4.904
117 HD11 ILE 15 HD11 ILE 15 5.224 2.364 3.058
118 HD12 ILE 15 HD12 ILE 15 3.503 2.295 2.676
119 HD13 ILE 15 HD13 ILE 15 4.659 1.382 1.709
120 HA PRO 16 HA PRO 16 8.482 1.670 2.935
121 HB2 PRO 16 HB2 PRO 16 9.607 1.364 0.241
122 HB3 PRO 16 HB1 PRO 16 10.350 2.089 1.677
123 HG2 PRO 16 HG2 PRO 16 11.223 -0.218 0.626
124 HG3 PRO 16 HG1 PRO 16 11.282 0.126 2.366
125 HD2 PRO 16 HD2 PRO 16 9.270 -1.488 0.841
126 HD3 PRO 16 HD1 PRO 16 10.099 -1.876 2.365
127 HA PRO 17 HA PRO 17 5.168 3.532 0.322
128 HB2 PRO 17 HB2 PRO 17 6.824 2.973 -2.121
129 HB3 PRO 17 HB1 PRO 17 5.758 4.350 -1.778
130 HG2 PRO 17 HG2 PRO 17 8.497 4.339 -1.340
131 HG3 PRO 17 HG1 PRO 17 7.345 5.446 -0.573
132 HD2 PRO 17 HD2 PRO 17 8.918 3.513 0.729
133 HD3 PRO 17 HD1 PRO 17 7.571 4.429 1.427
134 H ILE 18 HN ILE 18 3.389 2.419 0.169
135 HA ILE 18 HA ILE 18 3.169 0.216 -1.735
136 HB ILE 18 HB ILE 18 3.501 -0.436 0.872
137 HG12 ILE 18 HG12 ILE 18 1.973 -2.506 0.227
138 HG13 ILE 18 HG11 ILE 18 2.012 -1.746 -1.358
139 HG21 ILE 18 HG21 ILE 18 1.482 0.726 1.633
140 HG22 ILE 18 HG22 ILE 18 1.407 -1.009 1.935
141 HG23 ILE 18 HG23 ILE 18 0.505 -0.309 0.592
142 HD11 ILE 18 HD11 ILE 18 4.394 -2.646 0.249
143 HD12 ILE 18 HD12 ILE 18 4.467 -1.834 -1.315
144 HD13 ILE 18 HD13 ILE 18 3.731 -3.431 -1.185
Start of MODEL 11
1 H CYS 1 HN CYS 1 1.069 0.293 1.095
2 HA CYS 1 HA CYS 1 0.275 3.070 0.923
3 HB2 CYS 1 HB2 CYS 1 -1.519 0.892 -0.192
4 HB3 CYS 1 HB1 CYS 1 -1.955 2.587 -0.021
5 H LYS 2 HN LYS 2 -2.118 0.633 1.464
6 HA LYS 2 HA LYS 2 -1.708 0.545 4.340
7 HB2 LYS 2 HB2 LYS 2 -4.166 1.714 3.042
8 HB3 LYS 2 HB1 LYS 2 -4.200 1.058 4.672
9 HG2 LYS 2 HG2 LYS 2 -2.468 2.676 5.334
10 HG3 LYS 2 HG1 LYS 2 -2.506 3.355 3.706
11 HD2 LYS 2 HD2 LYS 2 -4.880 3.913 4.010
12 HD3 LYS 2 HD1 LYS 2 -4.816 3.258 5.648
13 HE2 LYS 2 HE2 LYS 2 -3.130 4.927 6.247
14 HE3 LYS 2 HE1 LYS 2 -3.193 5.580 4.610
15 HZ1 LYS 2 HZ1 LYS 2 -5.514 6.155 4.967
16 HZ2 LYS 2 HZ2 LYS 2 -4.531 6.888 6.133
17 HZ3 LYS 2 HZ3 LYS 2 -5.451 5.529 6.539
18 H ARG 3 HN ARG 3 -3.698 -0.372 1.609
19 HA ARG 3 HA ARG 3 -3.622 -3.172 2.364
20 HB2 ARG 3 HB2 ARG 3 -6.163 -1.549 2.278
21 HB3 ARG 3 HB1 ARG 3 -6.192 -3.268 1.924
22 HG2 ARG 3 HG2 ARG 3 -5.270 -3.746 4.134
23 HG3 ARG 3 HG1 ARG 3 -5.224 -2.017 4.486
24 HD2 ARG 3 HD2 ARG 3 -7.660 -1.909 4.222
25 HD3 ARG 3 HD1 ARG 3 -7.696 -3.639 3.889
26 HE ARG 3 HE ARG 3 -6.430 -3.313 6.336
27 HH11 ARG 3 HH11 ARG 3 -9.627 -2.708 5.013
28 HH12 ARG 3 HH12 ARG 3 -10.424 -2.921 6.538
29 HH21 ARG 3 HH21 ARG 3 -7.494 -3.590 8.319
30 HH22 ARG 3 HH22 ARG 3 -9.216 -3.420 8.406
31 HA PRO 4 HA PRO 4 -3.431 -3.978 -2.045
32 HB2 PRO 4 HB2 PRO 4 -5.853 -5.717 -1.784
33 HB3 PRO 4 HB1 PRO 4 -4.281 -6.082 -2.519
34 HG2 PRO 4 HG2 PRO 4 -4.879 -7.084 -0.170
35 HG3 PRO 4 HG1 PRO 4 -3.252 -6.442 -0.483
36 HD2 PRO 4 HD2 PRO 4 -5.492 -5.225 1.066
37 HD3 PRO 4 HD1 PRO 4 -3.749 -5.201 1.393
38 HA PRO 5 HA PRO 5 -6.163 -1.246 -4.276
39 HB2 PRO 5 HB2 PRO 5 -6.631 -2.701 -6.613
40 HB3 PRO 5 HB1 PRO 5 -5.235 -1.648 -6.320
41 HG2 PRO 5 HG2 PRO 5 -5.450 -4.605 -6.071
42 HG3 PRO 5 HG1 PRO 5 -4.111 -3.613 -6.687
43 HD2 PRO 5 HD2 PRO 5 -3.995 -4.686 -4.256
44 HD3 PRO 5 HD1 PRO 5 -3.369 -3.054 -4.560
45 H GLY 6 HN GLY 6 -8.231 -0.812 -3.992
46 HA2 GLY 6 HA2 GLY 6 -10.233 -2.949 -4.315
47 HA3 GLY 6 HA1 GLY 6 -10.230 -1.960 -2.863
48 H PHE 7 HN PHE 7 -11.185 0.013 -2.885
49 HA PHE 7 HA PHE 7 -12.101 1.095 -5.452
50 HB2 PHE 7 HB2 PHE 7 -13.814 0.623 -3.015
51 HB3 PHE 7 HB1 PHE 7 -14.294 1.679 -4.338
52 HD1 PHE 7 HD1 PHE 7 -14.915 0.771 -6.494
53 HD2 PHE 7 HD2 PHE 7 -13.762 -1.778 -3.288
54 HE1 PHE 7 HE1 PHE 7 -15.845 -1.161 -7.701
55 HE2 PHE 7 HE2 PHE 7 -14.690 -3.714 -4.489
56 HZ PHE 7 HZ PHE 7 -15.732 -3.408 -6.699
57 H SER 8 HN SER 8 -11.411 1.661 -2.071
58 HA SER 8 HA SER 8 -10.903 4.500 -2.670
59 HB2 SER 8 HB2 SER 8 -13.106 4.223 -1.530
60 HB3 SER 8 HB1 SER 8 -12.266 3.513 -0.153
61 HG SER 8 HG SER 8 -11.024 5.754 -0.649
62 HA PRO 9 HA PRO 9 -7.543 2.471 0.115
63 HB2 PRO 9 HB2 PRO 9 -5.769 1.900 -2.108
64 HB3 PRO 9 HB1 PRO 9 -6.462 0.767 -0.935
65 HG2 PRO 9 HG2 PRO 9 -7.124 0.758 -3.557
66 HG3 PRO 9 HG1 PRO 9 -8.233 0.246 -2.269
67 HD2 PRO 9 HD2 PRO 9 -8.106 2.868 -3.710
68 HD3 PRO 9 HD1 PRO 9 -9.524 1.878 -3.293
69 H LEU 10 HN LEU 10 -6.007 3.757 0.953
70 HA LEU 10 HA LEU 10 -5.161 6.109 -0.592
71 HB2 LEU 10 HB2 LEU 10 -5.175 5.561 2.379
72 HB3 LEU 10 HB1 LEU 10 -4.463 6.993 1.662
73 HG LEU 10 HG LEU 10 -6.891 7.260 0.625
74 HD11 LEU 10 HD11 LEU 10 -7.765 5.170 1.524
75 HD12 LEU 10 HD12 LEU 10 -8.616 6.555 2.206
76 HD13 LEU 10 HD13 LEU 10 -7.399 5.710 3.162
77 HD21 LEU 10 HD21 LEU 10 -6.165 7.949 3.469
78 HD22 LEU 10 HD22 LEU 10 -7.459 8.694 2.531
79 HD23 LEU 10 HD23 LEU 10 -5.779 8.896 2.032
80 H CYS 11 HN CYS 11 -2.971 6.725 -0.695
81 HA CYS 11 HA CYS 11 -1.031 4.673 0.120
82 HB2 CYS 11 HB2 CYS 11 -1.183 6.065 -2.556
83 HB3 CYS 11 HB1 CYS 11 0.195 5.106 -2.024
84 H THR 12 HN THR 12 1.191 5.403 0.306
85 HA THR 12 HA THR 12 1.363 8.003 1.518
86 HB THR 12 HB THR 12 3.740 7.237 1.983
87 HG1 THR 12 HG1 THR 12 2.920 4.622 1.450
88 HG21 THR 12 HG21 THR 12 1.969 7.048 3.678
89 HG22 THR 12 HG22 THR 12 3.055 5.660 3.756
90 HG23 THR 12 HG23 THR 12 1.473 5.500 2.991
91 H LYS 13 HN LYS 13 3.119 6.280 -1.016
92 HA LYS 13 HA LYS 13 3.583 8.787 -2.452
93 HB2 LYS 13 HB2 LYS 13 5.758 6.886 -1.574
94 HB3 LYS 13 HB1 LYS 13 5.978 8.025 -2.894
95 HG2 LYS 13 HG2 LYS 13 5.557 9.883 -1.372
96 HG3 LYS 13 HG1 LYS 13 5.315 8.747 -0.045
97 HD2 LYS 13 HD2 LYS 13 7.618 7.952 -0.313
98 HD3 LYS 13 HD1 LYS 13 7.856 9.096 -1.635
99 HE2 LYS 13 HE2 LYS 13 7.440 10.955 -0.099
100 HE3 LYS 13 HE1 LYS 13 7.195 9.811 1.221
101 HZ1 LYS 13 HZ1 LYS 13 9.481 9.074 0.958
102 HZ2 LYS 13 HZ2 LYS 13 9.425 10.739 1.253
103 HZ3 LYS 13 HZ3 LYS 13 9.715 10.167 -0.312
104 H SER 14 HN SER 14 2.751 5.549 -2.442
105 HA SER 14 HA SER 14 2.022 4.104 -4.012
106 HB2 SER 14 HB2 SER 14 2.603 6.277 -6.028
107 HB3 SER 14 HB1 SER 14 1.746 4.776 -6.376
108 HG SER 14 HG SER 14 0.024 5.738 -5.689
109 H ILE 15 HN ILE 15 5.001 5.721 -4.953
110 HA ILE 15 HA ILE 15 6.232 3.117 -5.371
111 HB ILE 15 HB ILE 15 5.435 3.833 -7.607
112 HG12 ILE 15 HG12 ILE 15 7.858 3.861 -8.701
113 HG13 ILE 15 HG11 ILE 15 8.342 3.441 -7.062
114 HG21 ILE 15 HG21 ILE 15 6.497 5.696 -8.795
115 HG22 ILE 15 HG22 ILE 15 7.319 6.164 -7.307
116 HG23 ILE 15 HG23 ILE 15 5.560 6.235 -7.401
117 HD11 ILE 15 HD11 ILE 15 8.076 1.434 -8.326
118 HD12 ILE 15 HD12 ILE 15 6.465 1.919 -8.854
119 HD13 ILE 15 HD13 ILE 15 6.757 1.526 -7.160
120 HA PRO 16 HA PRO 16 7.889 2.131 -5.237
121 HB2 PRO 16 HB2 PRO 16 10.233 1.353 -4.027
122 HB3 PRO 16 HB1 PRO 16 10.107 1.958 -5.686
123 HG2 PRO 16 HG2 PRO 16 11.409 3.194 -3.461
124 HG3 PRO 16 HG1 PRO 16 11.283 3.782 -5.128
125 HD2 PRO 16 HD2 PRO 16 9.680 4.518 -2.755
126 HD3 PRO 16 HD1 PRO 16 10.008 5.447 -4.233
127 HA PRO 17 HA PRO 17 7.556 1.139 -0.505
128 HB2 PRO 17 HB2 PRO 17 5.594 3.036 0.455
129 HB3 PRO 17 HB1 PRO 17 7.277 2.852 0.974
130 HG2 PRO 17 HG2 PRO 17 6.353 5.057 -0.346
131 HG3 PRO 17 HG1 PRO 17 8.037 4.496 -0.432
132 HD2 PRO 17 HD2 PRO 17 5.794 4.008 -2.367
133 HD3 PRO 17 HD1 PRO 17 7.466 4.514 -2.691
134 H ILE 18 HN ILE 18 4.681 1.794 0.592
135 HA ILE 18 HA ILE 18 3.150 0.062 -1.231
136 HB ILE 18 HB ILE 18 2.616 -0.182 1.703
137 HG12 ILE 18 HG12 ILE 18 4.278 -2.288 1.446
138 HG13 ILE 18 HG11 ILE 18 5.112 -1.133 0.408
139 HG21 ILE 18 HG21 ILE 18 1.156 -1.306 0.126
140 HG22 ILE 18 HG22 ILE 18 2.040 -2.492 1.087
141 HG23 ILE 18 HG23 ILE 18 2.530 -2.162 -0.575
142 HD11 ILE 18 HD11 ILE 18 5.185 0.464 2.248
143 HD12 ILE 18 HD12 ILE 18 5.964 -1.058 2.678
144 HD13 ILE 18 HD13 ILE 18 4.349 -0.691 3.283
Start of MODEL 12
1 H CYS 1 HN CYS 1 1.320 -0.126 -1.629
2 HA CYS 1 HA CYS 1 -0.026 2.413 -1.208
3 HB2 CYS 1 HB2 CYS 1 1.855 3.115 -2.575
4 HB3 CYS 1 HB1 CYS 1 1.562 1.812 -3.716
5 H LYS 2 HN LYS 2 -2.104 2.298 -1.748
6 HA LYS 2 HA LYS 2 -4.116 1.592 -2.495
7 HB2 LYS 2 HB2 LYS 2 -2.459 0.268 -4.645
8 HB3 LYS 2 HB1 LYS 2 -4.213 0.176 -4.606
9 HG2 LYS 2 HG2 LYS 2 -4.346 2.613 -4.756
10 HG3 LYS 2 HG1 LYS 2 -2.583 2.703 -4.794
11 HD2 LYS 2 HD2 LYS 2 -2.566 1.397 -6.866
12 HD3 LYS 2 HD1 LYS 2 -4.327 1.309 -6.826
13 HE2 LYS 2 HE2 LYS 2 -4.449 3.748 -6.989
14 HE3 LYS 2 HE1 LYS 2 -2.687 3.834 -7.030
15 HZ1 LYS 2 HZ1 LYS 2 -3.634 3.981 -9.247
16 HZ2 LYS 2 HZ2 LYS 2 -4.400 2.486 -9.050
17 HZ3 LYS 2 HZ3 LYS 2 -2.711 2.571 -9.091
18 H ARG 3 HN ARG 3 -5.246 0.340 -1.245
19 HA ARG 3 HA ARG 3 -4.576 -2.517 -1.049
20 HB2 ARG 3 HB2 ARG 3 -4.272 -0.689 1.020
21 HB3 ARG 3 HB1 ARG 3 -5.823 -1.443 1.360
22 HG2 ARG 3 HG2 ARG 3 -4.759 -3.651 1.268
23 HG3 ARG 3 HG1 ARG 3 -3.205 -2.877 0.958
24 HD2 ARG 3 HD2 ARG 3 -3.227 -3.349 3.266
25 HD3 ARG 3 HD1 ARG 3 -3.551 -1.622 3.131
26 HE ARG 3 HE ARG 3 -5.983 -3.060 3.211
27 HH11 ARG 3 HH11 ARG 3 -3.364 -2.069 5.332
28 HH12 ARG 3 HH12 ARG 3 -4.357 -2.076 6.751
29 HH21 ARG 3 HH21 ARG 3 -7.263 -3.063 5.082
30 HH22 ARG 3 HH22 ARG 3 -6.562 -2.638 6.608
31 HA PRO 4 HA PRO 4 -8.842 -2.529 -2.712
32 HB2 PRO 4 HB2 PRO 4 -8.447 -5.454 -2.298
33 HB3 PRO 4 HB1 PRO 4 -9.034 -4.579 -3.722
34 HG2 PRO 4 HG2 PRO 4 -6.580 -5.587 -3.651
35 HG3 PRO 4 HG1 PRO 4 -6.933 -4.043 -4.450
36 HD2 PRO 4 HD2 PRO 4 -5.571 -4.552 -1.856
37 HD3 PRO 4 HD1 PRO 4 -5.314 -3.258 -3.040
38 HA PRO 5 HA PRO 5 -10.798 -4.712 1.077
39 HB2 PRO 5 HB2 PRO 5 -8.852 -5.525 3.046
40 HB3 PRO 5 HB1 PRO 5 -9.915 -6.554 2.072
41 HG2 PRO 5 HG2 PRO 5 -7.200 -6.503 1.815
42 HG3 PRO 5 HG1 PRO 5 -8.317 -6.970 0.518
43 HD2 PRO 5 HD2 PRO 5 -6.935 -4.351 0.963
44 HD3 PRO 5 HD1 PRO 5 -7.195 -5.249 -0.545
45 H GLY 6 HN GLY 6 -11.642 -2.829 1.779
46 HA2 GLY 6 HA2 GLY 6 -11.133 -1.831 4.303
47 HA3 GLY 6 HA1 GLY 6 -10.206 -0.827 3.195
48 H PHE 7 HN PHE 7 -11.221 0.620 1.907
49 HA PHE 7 HA PHE 7 -14.094 0.710 1.662
50 HB2 PHE 7 HB2 PHE 7 -12.602 2.796 3.248
51 HB3 PHE 7 HB1 PHE 7 -14.149 3.141 2.482
52 HD1 PHE 7 HD1 PHE 7 -16.186 1.928 3.222
53 HD2 PHE 7 HD2 PHE 7 -12.467 1.564 5.264
54 HE1 PHE 7 HE1 PHE 7 -17.358 1.029 5.190
55 HE2 PHE 7 HE2 PHE 7 -13.634 0.662 7.233
56 HZ PHE 7 HZ PHE 7 -16.082 0.394 7.197
57 H SER 8 HN SER 8 -11.154 2.615 1.266
58 HA SER 8 HA SER 8 -11.765 2.979 -1.565
59 HB2 SER 8 HB2 SER 8 -11.260 5.197 0.435
60 HB3 SER 8 HB1 SER 8 -10.985 5.436 -1.291
61 HG SER 8 HG SER 8 -13.435 4.397 -0.384
62 HA PRO 9 HA PRO 9 -7.300 2.386 -1.852
63 HB2 PRO 9 HB2 PRO 9 -6.761 4.207 -4.028
64 HB3 PRO 9 HB1 PRO 9 -7.013 2.455 -4.108
65 HG2 PRO 9 HG2 PRO 9 -8.731 4.251 -5.198
66 HG3 PRO 9 HG1 PRO 9 -9.227 2.653 -4.607
67 HD2 PRO 9 HD2 PRO 9 -9.405 5.311 -3.230
68 HD3 PRO 9 HD1 PRO 9 -10.642 4.039 -3.380
69 H LEU 10 HN LEU 10 -5.773 3.035 -0.505
70 HA LEU 10 HA LEU 10 -4.962 5.861 -0.451
71 HB2 LEU 10 HB2 LEU 10 -5.507 4.097 1.939
72 HB3 LEU 10 HB1 LEU 10 -4.617 5.604 2.037
73 HG LEU 10 HG LEU 10 -6.819 6.563 0.894
74 HD11 LEU 10 HD11 LEU 10 -8.813 5.463 1.779
75 HD12 LEU 10 HD12 LEU 10 -7.813 4.163 2.428
76 HD13 LEU 10 HD13 LEU 10 -7.926 4.403 0.684
77 HD21 LEU 10 HD21 LEU 10 -7.630 7.120 3.144
78 HD22 LEU 10 HD22 LEU 10 -5.885 7.326 2.998
79 HD23 LEU 10 HD23 LEU 10 -6.539 5.914 3.826
80 H CYS 11 HN CYS 11 -2.781 6.238 -0.064
81 HA CYS 11 HA CYS 11 -1.052 3.868 0.145
82 HB2 CYS 11 HB2 CYS 11 -0.578 6.221 -1.696
83 HB3 CYS 11 HB1 CYS 11 0.491 4.838 -1.492
84 H THR 12 HN THR 12 0.955 4.154 1.126
85 HA THR 12 HA THR 12 1.086 6.332 3.022
86 HB THR 12 HB THR 12 3.057 4.964 3.885
87 HG1 THR 12 HG1 THR 12 2.035 2.737 2.580
88 HG21 THR 12 HG21 THR 12 1.618 3.282 4.971
89 HG22 THR 12 HG22 THR 12 0.338 3.631 3.807
90 HG23 THR 12 HG23 THR 12 0.843 4.867 4.960
91 H LYS 13 HN LYS 13 3.571 4.670 1.152
92 HA LYS 13 HA LYS 13 4.539 7.116 -0.070
93 HB2 LYS 13 HB2 LYS 13 6.140 5.604 1.988
94 HB3 LYS 13 HB1 LYS 13 6.937 6.522 0.721
95 HG2 LYS 13 HG2 LYS 13 5.809 8.552 1.484
96 HG3 LYS 13 HG1 LYS 13 5.009 7.626 2.756
97 HD2 LYS 13 HD2 LYS 13 7.196 7.058 3.711
98 HD3 LYS 13 HD1 LYS 13 7.990 7.993 2.442
99 HE2 LYS 13 HE2 LYS 13 7.927 9.402 4.331
100 HE3 LYS 13 HE1 LYS 13 6.655 9.983 3.260
101 HZ1 LYS 13 HZ1 LYS 13 5.034 8.784 4.600
102 HZ2 LYS 13 HZ2 LYS 13 5.899 9.884 5.549
103 HZ3 LYS 13 HZ3 LYS 13 6.259 8.233 5.629
104 H SER 14 HN SER 14 3.789 3.956 -0.255
105 HA SER 14 HA SER 14 3.923 2.368 -1.850
106 HB2 SER 14 HB2 SER 14 5.627 4.324 -3.399
107 HB3 SER 14 HB1 SER 14 4.990 2.808 -4.037
108 HG SER 14 HG SER 14 3.596 5.139 -3.276
109 H ILE 15 HN ILE 15 7.053 3.856 -1.267
110 HA ILE 15 HA ILE 15 8.178 1.280 -0.546
111 HB ILE 15 HB ILE 15 8.586 1.407 -2.989
112 HG12 ILE 15 HG12 ILE 15 11.207 1.324 -2.845
113 HG13 ILE 15 HG11 ILE 15 10.923 1.443 -1.114
114 HG21 ILE 15 HG21 ILE 15 10.153 3.032 -3.944
115 HG22 ILE 15 HG22 ILE 15 10.189 3.889 -2.404
116 HG23 ILE 15 HG23 ILE 15 8.689 3.795 -3.325
117 HD11 ILE 15 HD11 ILE 15 9.968 -0.714 -2.980
118 HD12 ILE 15 HD12 ILE 15 9.455 -0.567 -1.299
119 HD13 ILE 15 HD13 ILE 15 11.151 -0.858 -1.680
120 HA PRO 16 HA PRO 16 10.061 0.435 0.698
121 HB2 PRO 16 HB2 PRO 16 9.888 0.920 3.615
122 HB3 PRO 16 HB1 PRO 16 11.099 0.018 2.685
123 HG2 PRO 16 HG2 PRO 16 11.702 2.365 3.717
124 HG3 PRO 16 HG1 PRO 16 12.267 1.916 2.094
125 HD2 PRO 16 HD2 PRO 16 9.979 3.690 2.863
126 HD3 PRO 16 HD1 PRO 16 11.221 3.933 1.616
127 HA PRO 17 HA PRO 17 5.945 -0.045 3.419
128 HB2 PRO 17 HB2 PRO 17 4.140 2.010 3.086
129 HB3 PRO 17 HB1 PRO 17 5.260 1.885 4.455
130 HG2 PRO 17 HG2 PRO 17 5.553 3.467 1.927
131 HG3 PRO 17 HG1 PRO 17 5.854 3.971 3.606
132 HD2 PRO 17 HD2 PRO 17 7.872 3.285 2.036
133 HD3 PRO 17 HD1 PRO 17 7.851 2.793 3.740
134 H ILE 18 HN ILE 18 3.334 0.977 2.193
135 HA ILE 18 HA ILE 18 3.536 -0.361 -0.417
136 HB ILE 18 HB ILE 18 2.624 -1.729 1.621
137 HG12 ILE 18 HG12 ILE 18 0.786 -2.683 -0.079
138 HG13 ILE 18 HG11 ILE 18 1.681 -1.661 -1.196
139 HG21 ILE 18 HG21 ILE 18 0.968 -0.166 2.415
140 HG22 ILE 18 HG22 ILE 18 0.191 -1.659 1.885
141 HG23 ILE 18 HG23 ILE 18 0.132 -0.223 0.863
142 HD11 ILE 18 HD11 ILE 18 2.830 -3.875 0.486
143 HD12 ILE 18 HD12 ILE 18 3.741 -2.844 -0.618
144 HD13 ILE 18 HD13 ILE 18 2.507 -3.936 -1.247
Start of MODEL 13
1 H CYS 1 HN CYS 1 1.020 0.194 1.198
2 HA CYS 1 HA CYS 1 0.063 2.923 0.962
3 HB2 CYS 1 HB2 CYS 1 -1.699 0.626 0.050
4 HB3 CYS 1 HB1 CYS 1 -2.092 2.340 0.007
5 H LYS 2 HN LYS 2 -2.326 0.581 1.603
6 HA LYS 2 HA LYS 2 -1.803 0.398 4.464
7 HB2 LYS 2 HB2 LYS 2 -4.306 1.606 3.268
8 HB3 LYS 2 HB1 LYS 2 -4.235 0.994 4.914
9 HG2 LYS 2 HG2 LYS 2 -2.459 2.617 5.423
10 HG3 LYS 2 HG1 LYS 2 -2.589 3.248 3.780
11 HD2 LYS 2 HD2 LYS 2 -4.921 3.860 4.200
12 HD3 LYS 2 HD1 LYS 2 -4.797 3.220 5.839
13 HE2 LYS 2 HE2 LYS 2 -3.054 4.866 6.342
14 HE3 LYS 2 HE1 LYS 2 -3.191 5.509 4.707
15 HZ1 LYS 2 HZ1 LYS 2 -5.348 5.500 6.749
16 HZ2 LYS 2 HZ2 LYS 2 -5.484 6.114 5.178
17 HZ3 LYS 2 HZ3 LYS 2 -4.433 6.846 6.283
18 H ARG 3 HN ARG 3 -3.695 -0.433 1.671
19 HA ARG 3 HA ARG 3 -3.777 -3.237 2.396
20 HB2 ARG 3 HB2 ARG 3 -6.239 -1.508 2.163
21 HB3 ARG 3 HB1 ARG 3 -6.318 -3.214 1.759
22 HG2 ARG 3 HG2 ARG 3 -5.564 -3.781 4.018
23 HG3 ARG 3 HG1 ARG 3 -5.503 -2.063 4.418
24 HD2 ARG 3 HD2 ARG 3 -7.903 -1.876 3.990
25 HD3 ARG 3 HD1 ARG 3 -7.965 -3.589 3.575
26 HE ARG 3 HE ARG 3 -6.879 -3.305 6.150
27 HH11 ARG 3 HH11 ARG 3 -9.967 -2.944 4.517
28 HH12 ARG 3 HH12 ARG 3 -10.890 -3.287 5.941
29 HH21 ARG 3 HH21 ARG 3 -8.108 -3.752 8.002
30 HH22 ARG 3 HH22 ARG 3 -9.838 -3.744 7.912
31 HA PRO 4 HA PRO 4 -3.285 -4.040 -1.988
32 HB2 PRO 4 HB2 PRO 4 -5.912 -5.487 -1.964
33 HB3 PRO 4 HB1 PRO 4 -4.347 -6.003 -2.628
34 HG2 PRO 4 HG2 PRO 4 -5.173 -7.006 -0.355
35 HG3 PRO 4 HG1 PRO 4 -3.475 -6.516 -0.547
36 HD2 PRO 4 HD2 PRO 4 -5.678 -5.145 0.922
37 HD3 PRO 4 HD1 PRO 4 -3.958 -5.277 1.334
38 HA PRO 5 HA PRO 5 -5.425 -1.007 -4.474
39 HB2 PRO 5 HB2 PRO 5 -5.807 -3.069 -6.597
40 HB3 PRO 5 HB1 PRO 5 -5.068 -1.460 -6.705
41 HG2 PRO 5 HG2 PRO 5 -3.553 -3.612 -6.725
42 HG3 PRO 5 HG1 PRO 5 -3.060 -2.165 -5.820
43 HD2 PRO 5 HD2 PRO 5 -4.198 -4.730 -4.798
44 HD3 PRO 5 HD1 PRO 5 -2.929 -3.698 -4.108
45 H GLY 6 HN GLY 6 -7.408 -0.260 -4.268
46 HA2 GLY 6 HA2 GLY 6 -9.714 -1.919 -4.953
47 HA3 GLY 6 HA1 GLY 6 -9.635 -1.293 -3.311
48 H PHE 7 HN PHE 7 -10.423 0.672 -2.916
49 HA PHE 7 HA PHE 7 -10.521 2.741 -4.924
50 HB2 PHE 7 HB2 PHE 7 -12.615 1.170 -5.174
51 HB3 PHE 7 HB1 PHE 7 -13.192 2.034 -3.755
52 HD1 PHE 7 HD1 PHE 7 -13.811 4.366 -3.884
53 HD2 PHE 7 HD2 PHE 7 -12.387 2.284 -7.312
54 HE1 PHE 7 HE1 PHE 7 -14.631 6.185 -5.325
55 HE2 PHE 7 HE2 PHE 7 -13.203 4.099 -8.759
56 HZ PHE 7 HZ PHE 7 -14.326 6.052 -7.766
57 H SER 8 HN SER 8 -11.144 1.611 -1.703
58 HA SER 8 HA SER 8 -11.532 4.304 -0.663
59 HB2 SER 8 HB2 SER 8 -11.634 1.643 0.771
60 HB3 SER 8 HB1 SER 8 -12.035 3.207 1.476
61 HG SER 8 HG SER 8 -13.331 2.082 -0.784
62 HA PRO 9 HA PRO 9 -7.452 2.884 1.708
63 HB2 PRO 9 HB2 PRO 9 -6.108 1.267 -0.376
64 HB3 PRO 9 HB1 PRO 9 -6.253 0.965 1.365
65 HG2 PRO 9 HG2 PRO 9 -7.602 -0.504 -0.374
66 HG3 PRO 9 HG1 PRO 9 -8.329 -0.012 1.170
67 HD2 PRO 9 HD2 PRO 9 -8.743 1.154 -1.559
68 HD3 PRO 9 HD1 PRO 9 -9.941 0.771 -0.307
69 H LEU 10 HN LEU 10 -5.750 4.240 1.694
70 HA LEU 10 HA LEU 10 -5.246 5.783 -0.747
71 HB2 LEU 10 HB2 LEU 10 -4.579 6.307 2.154
72 HB3 LEU 10 HB1 LEU 10 -4.053 7.340 0.839
73 HG LEU 10 HG LEU 10 -6.654 7.421 0.320
74 HD11 LEU 10 HD11 LEU 10 -6.565 6.891 3.288
75 HD12 LEU 10 HD12 LEU 10 -7.299 5.851 2.066
76 HD13 LEU 10 HD13 LEU 10 -7.969 7.452 2.381
77 HD21 LEU 10 HD21 LEU 10 -5.300 8.995 2.505
78 HD22 LEU 10 HD22 LEU 10 -6.776 9.468 1.665
79 HD23 LEU 10 HD23 LEU 10 -5.256 9.351 0.778
80 H CYS 11 HN CYS 11 -2.981 6.406 -1.242
81 HA CYS 11 HA CYS 11 -1.038 4.363 -0.400
82 HB2 CYS 11 HB2 CYS 11 -1.666 5.282 -3.197
83 HB3 CYS 11 HB1 CYS 11 -0.142 4.499 -2.790
84 H THR 12 HN THR 12 1.182 4.927 -0.572
85 HA THR 12 HA THR 12 1.710 7.701 -0.003
86 HB THR 12 HB THR 12 4.032 6.805 0.461
87 HG1 THR 12 HG1 THR 12 2.976 4.225 0.583
88 HG21 THR 12 HG21 THR 12 1.746 5.537 1.987
89 HG22 THR 12 HG22 THR 12 2.413 7.142 2.284
90 HG23 THR 12 HG23 THR 12 3.398 5.709 2.580
91 H LYS 13 HN LYS 13 3.363 5.287 -1.979
92 HA LYS 13 HA LYS 13 3.498 7.048 -4.282
93 HB2 LYS 13 HB2 LYS 13 5.939 6.213 -2.730
94 HB3 LYS 13 HB1 LYS 13 6.038 6.542 -4.451
95 HG2 LYS 13 HG2 LYS 13 5.196 8.809 -4.060
96 HG3 LYS 13 HG1 LYS 13 5.118 8.472 -2.329
97 HD2 LYS 13 HD2 LYS 13 7.534 8.096 -2.290
98 HD3 LYS 13 HD1 LYS 13 7.615 8.409 -4.024
99 HE2 LYS 13 HE2 LYS 13 6.794 10.686 -3.645
100 HE3 LYS 13 HE1 LYS 13 6.722 10.369 -1.912
101 HZ1 LYS 13 HZ1 LYS 13 8.732 11.561 -2.511
102 HZ2 LYS 13 HZ2 LYS 13 9.182 10.326 -3.575
103 HZ3 LYS 13 HZ3 LYS 13 9.113 10.025 -1.912
104 H SER 14 HN SER 14 3.047 4.080 -2.971
105 HA SER 14 HA SER 14 2.598 2.028 -3.792
106 HB2 SER 14 HB2 SER 14 1.706 3.220 -5.808
107 HB3 SER 14 HB1 SER 14 3.288 3.018 -6.560
108 HG SER 14 HG SER 14 2.109 0.731 -5.512
109 H ILE 15 HN ILE 15 5.533 3.443 -5.078
110 HA ILE 15 HA ILE 15 7.097 1.189 -4.183
111 HB ILE 15 HB ILE 15 6.350 0.402 -6.412
112 HG12 ILE 15 HG12 ILE 15 8.737 0.174 -7.464
113 HG13 ILE 15 HG11 ILE 15 9.267 0.943 -5.975
114 HG21 ILE 15 HG21 ILE 15 7.140 1.462 -8.478
115 HG22 ILE 15 HG22 ILE 15 7.776 2.808 -7.532
116 HG23 ILE 15 HG23 ILE 15 6.040 2.498 -7.568
117 HD11 ILE 15 HD11 ILE 15 9.465 -1.396 -5.674
118 HD12 ILE 15 HD12 ILE 15 7.838 -1.682 -6.291
119 HD13 ILE 15 HD13 ILE 15 8.062 -0.884 -4.735
120 HA PRO 16 HA PRO 16 9.449 0.688 -3.785
121 HB2 PRO 16 HB2 PRO 16 10.586 2.184 -1.492
122 HB3 PRO 16 HB1 PRO 16 11.321 0.918 -2.495
123 HG2 PRO 16 HG2 PRO 16 12.089 3.421 -2.762
124 HG3 PRO 16 HG1 PRO 16 11.871 2.386 -4.192
125 HD2 PRO 16 HD2 PRO 16 10.044 4.493 -3.101
126 HD3 PRO 16 HD1 PRO 16 10.522 4.179 -4.783
127 HA PRO 17 HA PRO 17 7.170 1.451 0.561
128 HB2 PRO 17 HB2 PRO 17 5.228 3.409 0.450
129 HB3 PRO 17 HB1 PRO 17 6.856 3.661 1.111
130 HG2 PRO 17 HG2 PRO 17 5.817 4.312 -1.620
131 HG3 PRO 17 HG1 PRO 17 6.824 5.302 -0.540
132 HD2 PRO 17 HD2 PRO 17 7.920 3.986 -2.560
133 HD3 PRO 17 HD1 PRO 17 8.743 4.072 -0.989
134 H ILE 18 HN ILE 18 4.465 1.722 0.939
135 HA ILE 18 HA ILE 18 3.197 0.147 -1.203
136 HB ILE 18 HB ILE 18 2.587 -0.394 1.709
137 HG12 ILE 18 HG12 ILE 18 4.305 -2.393 0.402
138 HG13 ILE 18 HG11 ILE 18 5.108 -0.858 0.715
139 HG21 ILE 18 HG21 ILE 18 0.976 -1.228 0.076
140 HG22 ILE 18 HG22 ILE 18 1.807 -2.571 0.859
141 HG23 ILE 18 HG23 ILE 18 2.257 -2.090 -0.777
142 HD11 ILE 18 HD11 ILE 18 3.695 -2.564 2.753
143 HD12 ILE 18 HD12 ILE 18 4.486 -1.020 3.072
144 HD13 ILE 18 HD13 ILE 18 5.440 -2.410 2.547
Start of MODEL 14
1 H CYS 1 HN CYS 1 0.995 -0.394 -0.932
2 HA CYS 1 HA CYS 1 -0.947 1.755 -0.611
3 HB2 CYS 1 HB2 CYS 1 0.357 1.292 -3.112
4 HB3 CYS 1 HB1 CYS 1 -1.328 0.809 -3.269
5 H LYS 2 HN LYS 2 -3.113 1.124 -0.864
6 HA LYS 2 HA LYS 2 -4.927 -0.192 -0.590
7 HB2 LYS 2 HB2 LYS 2 -3.304 -2.239 -2.120
8 HB3 LYS 2 HB1 LYS 2 -5.016 -2.391 -1.752
9 HG2 LYS 2 HG2 LYS 2 -5.430 -0.316 -3.046
10 HG3 LYS 2 HG1 LYS 2 -3.722 -0.291 -3.484
11 HD2 LYS 2 HD2 LYS 2 -3.968 -2.475 -4.563
12 HD3 LYS 2 HD1 LYS 2 -5.675 -2.506 -4.118
13 HE2 LYS 2 HE2 LYS 2 -6.061 -0.501 -5.465
14 HE3 LYS 2 HE1 LYS 2 -4.354 -0.467 -5.906
15 HZ1 LYS 2 HZ1 LYS 2 -4.630 -2.611 -6.988
16 HZ2 LYS 2 HZ2 LYS 2 -5.695 -1.472 -7.643
17 HZ3 LYS 2 HZ3 LYS 2 -6.268 -2.641 -6.564
18 H ARG 3 HN ARG 3 -5.383 -0.670 1.412
19 HA ARG 3 HA ARG 3 -4.019 -2.935 2.689
20 HB2 ARG 3 HB2 ARG 3 -4.549 -0.223 3.874
21 HB3 ARG 3 HB1 ARG 3 -4.330 -1.638 4.891
22 HG2 ARG 3 HG2 ARG 3 -2.114 -1.994 3.889
23 HG3 ARG 3 HG1 ARG 3 -2.339 -0.539 2.916
24 HD2 ARG 3 HD2 ARG 3 -2.512 0.803 4.945
25 HD3 ARG 3 HD1 ARG 3 -2.329 -0.648 5.930
26 HE ARG 3 HE ARG 3 -0.143 -0.361 4.147
27 HH11 ARG 3 HH11 ARG 3 -1.402 0.952 7.151
28 HH12 ARG 3 HH12 ARG 3 0.160 1.424 7.733
29 HH21 ARG 3 HH21 ARG 3 1.890 0.265 4.928
30 HH22 ARG 3 HH22 ARG 3 2.021 1.035 6.475
31 HA PRO 4 HA PRO 4 -8.510 -2.643 4.656
32 HB2 PRO 4 HB2 PRO 4 -10.352 -1.214 3.177
33 HB3 PRO 4 HB1 PRO 4 -9.496 -0.569 4.590
34 HG2 PRO 4 HG2 PRO 4 -8.904 -0.190 1.695
35 HG3 PRO 4 HG1 PRO 4 -8.862 0.990 3.021
36 HD2 PRO 4 HD2 PRO 4 -6.618 -0.096 2.067
37 HD3 PRO 4 HD1 PRO 4 -6.814 0.257 3.795
38 HA PRO 5 HA PRO 5 -10.060 -5.858 1.954
39 HB2 PRO 5 HB2 PRO 5 -12.862 -5.333 2.725
40 HB3 PRO 5 HB1 PRO 5 -11.875 -6.782 2.991
41 HG2 PRO 5 HG2 PRO 5 -12.535 -5.187 5.009
42 HG3 PRO 5 HG1 PRO 5 -10.942 -5.970 4.926
43 HD2 PRO 5 HD2 PRO 5 -11.688 -3.146 4.267
44 HD3 PRO 5 HD1 PRO 5 -10.284 -3.763 5.162
45 H GLY 6 HN GLY 6 -11.324 -2.684 1.597
46 HA2 GLY 6 HA2 GLY 6 -11.307 -2.249 -0.981
47 HA3 GLY 6 HA1 GLY 6 -12.688 -3.332 -0.917
48 H PHE 7 HN PHE 7 -11.432 -0.229 0.190
49 HA PHE 7 HA PHE 7 -14.184 0.772 0.319
50 HB2 PHE 7 HB2 PHE 7 -12.997 0.366 2.603
51 HB3 PHE 7 HB1 PHE 7 -12.089 1.817 2.198
52 HD1 PHE 7 HD1 PHE 7 -15.354 0.471 3.131
53 HD2 PHE 7 HD2 PHE 7 -13.162 3.986 2.156
54 HE1 PHE 7 HE1 PHE 7 -17.184 1.853 4.021
55 HE2 PHE 7 HE2 PHE 7 -14.988 5.376 3.044
56 HZ PHE 7 HZ PHE 7 -17.002 4.310 3.979
57 H SER 8 HN SER 8 -10.853 1.966 0.467
58 HA SER 8 HA SER 8 -11.228 3.546 -1.921
59 HB2 SER 8 HB2 SER 8 -10.709 4.836 0.779
60 HB3 SER 8 HB1 SER 8 -10.431 5.668 -0.751
61 HG SER 8 HG SER 8 -12.756 4.961 -1.143
62 HA PRO 9 HA PRO 9 -6.777 2.749 -1.998
63 HB2 PRO 9 HB2 PRO 9 -5.977 4.936 -3.644
64 HB3 PRO 9 HB1 PRO 9 -6.478 3.325 -4.183
65 HG2 PRO 9 HG2 PRO 9 -7.860 5.644 -4.718
66 HG3 PRO 9 HG1 PRO 9 -8.565 4.015 -4.732
67 HD2 PRO 9 HD2 PRO 9 -8.613 6.079 -2.558
68 HD3 PRO 9 HD1 PRO 9 -9.931 5.045 -3.157
69 H LEU 10 HN LEU 10 -5.103 3.038 -0.670
70 HA LEU 10 HA LEU 10 -4.393 5.745 0.228
71 HB2 LEU 10 HB2 LEU 10 -4.767 3.325 1.996
72 HB3 LEU 10 HB1 LEU 10 -3.963 4.793 2.515
73 HG LEU 10 HG LEU 10 -6.266 5.888 1.741
74 HD11 LEU 10 HD11 LEU 10 -7.043 3.089 2.551
75 HD12 LEU 10 HD12 LEU 10 -7.250 3.804 0.952
76 HD13 LEU 10 HD13 LEU 10 -8.150 4.444 2.327
77 HD21 LEU 10 HD21 LEU 10 -7.008 5.734 4.075
78 HD22 LEU 10 HD22 LEU 10 -5.284 6.087 3.952
79 HD23 LEU 10 HD23 LEU 10 -5.824 4.459 4.359
80 H CYS 11 HN CYS 11 -2.230 6.128 0.467
81 HA CYS 11 HA CYS 11 -0.401 3.860 0.098
82 HB2 CYS 11 HB2 CYS 11 -0.848 5.979 -1.759
83 HB3 CYS 11 HB1 CYS 11 0.775 6.161 -1.104
84 H THR 12 HN THR 12 0.196 3.773 2.210
85 HA THR 12 HA THR 12 1.397 6.133 3.452
86 HB THR 12 HB THR 12 1.470 4.452 5.449
87 HG1 THR 12 HG1 THR 12 -0.817 3.333 4.299
88 HG21 THR 12 HG21 THR 12 -0.815 5.112 6.107
89 HG22 THR 12 HG22 THR 12 -1.147 5.597 4.445
90 HG23 THR 12 HG23 THR 12 0.061 6.465 5.391
91 H LYS 13 HN LYS 13 3.439 5.919 4.549
92 HA LYS 13 HA LYS 13 5.655 5.471 4.623
93 HB2 LYS 13 HB2 LYS 13 4.679 2.661 4.073
94 HB3 LYS 13 HB1 LYS 13 6.370 3.042 4.358
95 HG2 LYS 13 HG2 LYS 13 5.805 3.910 6.572
96 HG3 LYS 13 HG1 LYS 13 4.105 3.527 6.284
97 HD2 LYS 13 HD2 LYS 13 4.679 1.157 6.066
98 HD3 LYS 13 HD1 LYS 13 6.378 1.541 6.348
99 HE2 LYS 13 HE2 LYS 13 5.810 2.397 8.570
100 HE3 LYS 13 HE1 LYS 13 4.113 2.013 8.285
101 HZ1 LYS 13 HZ1 LYS 13 4.711 -0.323 8.103
102 HZ2 LYS 13 HZ2 LYS 13 5.198 0.302 9.597
103 HZ3 LYS 13 HZ3 LYS 13 6.339 0.047 8.377
104 H SER 14 HN SER 14 6.425 6.679 3.030
105 HA SER 14 HA SER 14 6.376 5.785 0.269
106 HB2 SER 14 HB2 SER 14 5.932 8.159 0.925
107 HB3 SER 14 HB1 SER 14 7.622 8.293 1.413
108 HG SER 14 HG SER 14 7.540 9.014 -0.661
109 H ILE 15 HN ILE 15 8.334 4.917 2.736
110 HA ILE 15 HA ILE 15 10.577 4.463 0.924
111 HB ILE 15 HB ILE 15 11.222 6.478 2.099
112 HG12 ILE 15 HG12 ILE 15 13.308 5.549 3.363
113 HG13 ILE 15 HG11 ILE 15 12.749 3.985 2.783
114 HG21 ILE 15 HG21 ILE 15 9.897 6.320 4.110
115 HG22 ILE 15 HG22 ILE 15 11.596 6.562 4.521
116 HG23 ILE 15 HG23 ILE 15 10.870 4.963 4.678
117 HD11 ILE 15 HD11 ILE 15 13.447 6.360 1.067
118 HD12 ILE 15 HD12 ILE 15 12.884 4.793 0.482
119 HD13 ILE 15 HD13 ILE 15 14.436 4.920 1.311
120 HA PRO 16 HA PRO 16 10.158 2.820 -0.159
121 HB2 PRO 16 HB2 PRO 16 8.937 0.201 -0.441
122 HB3 PRO 16 HB1 PRO 16 10.543 0.718 -0.979
123 HG2 PRO 16 HG2 PRO 16 10.136 -1.105 0.999
124 HG3 PRO 16 HG1 PRO 16 11.575 -0.072 0.883
125 HD2 PRO 16 HD2 PRO 16 9.144 0.274 2.596
126 HD3 PRO 16 HD1 PRO 16 10.856 0.502 3.011
127 HA PRO 17 HA PRO 17 5.722 3.643 -0.296
128 HB2 PRO 17 HB2 PRO 17 5.200 2.852 -3.031
129 HB3 PRO 17 HB1 PRO 17 5.439 4.485 -2.384
130 HG2 PRO 17 HG2 PRO 17 7.209 3.321 -4.081
131 HG3 PRO 17 HG1 PRO 17 7.690 4.497 -2.840
132 HD2 PRO 17 HD2 PRO 17 7.809 1.496 -2.735
133 HD3 PRO 17 HD1 PRO 17 9.061 2.685 -2.300
134 H ILE 18 HN ILE 18 3.814 2.795 0.202
135 HA ILE 18 HA ILE 18 3.185 0.029 -0.584
136 HB ILE 18 HB ILE 18 2.858 1.223 2.188
137 HG12 ILE 18 HG12 ILE 18 5.129 0.454 1.825
138 HG13 ILE 18 HG11 ILE 18 4.320 -0.647 2.927
139 HG21 ILE 18 HG21 ILE 18 1.902 -0.927 2.902
140 HG22 ILE 18 HG22 ILE 18 1.902 -1.474 1.225
141 HG23 ILE 18 HG23 ILE 18 0.892 -0.112 1.707
142 HD11 ILE 18 HD11 ILE 18 5.074 -1.108 0.052
143 HD12 ILE 18 HD12 ILE 18 3.939 -2.149 0.909
144 HD13 ILE 18 HD13 ILE 18 5.599 -1.994 1.484
Start of MODEL 15
1 H CYS 1 HN CYS 1 0.941 -0.470 -1.145
2 HA CYS 1 HA CYS 1 -0.979 1.715 -0.973
3 HB2 CYS 1 HB2 CYS 1 -0.128 0.556 -3.639
4 HB3 CYS 1 HB1 CYS 1 -1.499 1.633 -3.399
5 H LYS 2 HN LYS 2 -3.078 1.086 -1.018
6 HA LYS 2 HA LYS 2 -4.901 -0.222 -0.732
7 HB2 LYS 2 HB2 LYS 2 -3.516 -1.909 -2.823
8 HB3 LYS 2 HB1 LYS 2 -5.151 -2.213 -2.252
9 HG2 LYS 2 HG2 LYS 2 -5.824 0.014 -3.043
10 HG3 LYS 2 HG1 LYS 2 -4.187 0.278 -3.648
11 HD2 LYS 2 HD2 LYS 2 -4.422 -1.613 -5.163
12 HD3 LYS 2 HD1 LYS 2 -6.037 -1.938 -4.530
13 HE2 LYS 2 HE2 LYS 2 -6.808 0.223 -5.344
14 HE3 LYS 2 HE1 LYS 2 -5.187 0.595 -5.932
15 HZ1 LYS 2 HZ1 LYS 2 -5.357 -1.272 -7.459
16 HZ2 LYS 2 HZ2 LYS 2 -6.620 -0.178 -7.715
17 HZ3 LYS 2 HZ3 LYS 2 -6.910 -1.626 -6.892
18 H ARG 3 HN ARG 3 -5.252 -1.128 1.149
19 HA ARG 3 HA ARG 3 -3.957 -3.680 1.776
20 HB2 ARG 3 HB2 ARG 3 -3.087 -1.406 2.993
21 HB3 ARG 3 HB1 ARG 3 -4.339 -1.925 4.115
22 HG2 ARG 3 HG2 ARG 3 -3.258 -4.117 4.296
23 HG3 ARG 3 HG1 ARG 3 -1.990 -3.571 3.198
24 HD2 ARG 3 HD2 ARG 3 -1.100 -3.317 5.363
25 HD3 ARG 3 HD1 ARG 3 -1.562 -1.696 4.851
26 HE ARG 3 HE ARG 3 -3.715 -2.791 6.243
27 HH11 ARG 3 HH11 ARG 3 -0.427 -1.774 6.940
28 HH12 ARG 3 HH12 ARG 3 -0.776 -1.384 8.591
29 HH21 ARG 3 HH21 ARG 3 -4.149 -2.273 8.407
30 HH22 ARG 3 HH22 ARG 3 -2.881 -1.667 9.420
31 HA PRO 4 HA PRO 4 -8.128 -3.601 4.095
32 HB2 PRO 4 HB2 PRO 4 -9.593 -1.168 3.850
33 HB3 PRO 4 HB1 PRO 4 -8.762 -1.777 5.289
34 HG2 PRO 4 HG2 PRO 4 -8.045 0.498 3.905
35 HG3 PRO 4 HG1 PRO 4 -6.982 -0.418 4.990
36 HD2 PRO 4 HD2 PRO 4 -7.141 -0.486 2.006
37 HD3 PRO 4 HD1 PRO 4 -5.715 -0.552 3.062
38 HA PRO 5 HA PRO 5 -10.465 -4.395 0.318
39 HB2 PRO 5 HB2 PRO 5 -12.204 -6.223 1.282
40 HB3 PRO 5 HB1 PRO 5 -10.490 -6.596 1.016
41 HG2 PRO 5 HG2 PRO 5 -11.913 -5.986 3.556
42 HG3 PRO 5 HG1 PRO 5 -10.629 -7.167 3.234
43 HD2 PRO 5 HD2 PRO 5 -10.210 -4.707 4.393
44 HD3 PRO 5 HD1 PRO 5 -8.972 -5.634 3.525
45 H GLY 6 HN GLY 6 -11.683 -2.781 3.047
46 HA2 GLY 6 HA2 GLY 6 -14.246 -2.257 1.662
47 HA3 GLY 6 HA1 GLY 6 -14.117 -2.355 3.408
48 H PHE 7 HN PHE 7 -11.732 -0.735 1.390
49 HA PHE 7 HA PHE 7 -12.824 1.896 2.053
50 HB2 PHE 7 HB2 PHE 7 -10.180 0.834 2.997
51 HB3 PHE 7 HB1 PHE 7 -10.357 2.551 2.660
52 HD1 PHE 7 HD1 PHE 7 -11.425 -0.214 4.832
53 HD2 PHE 7 HD2 PHE 7 -11.657 3.969 4.079
54 HE1 PHE 7 HE1 PHE 7 -12.389 0.130 7.068
55 HE2 PHE 7 HE2 PHE 7 -12.624 4.320 6.314
56 HZ PHE 7 HZ PHE 7 -12.990 2.400 7.812
57 H SER 8 HN SER 8 -11.429 3.667 0.983
58 HA SER 8 HA SER 8 -11.249 3.064 -1.800
59 HB2 SER 8 HB2 SER 8 -10.792 5.543 -0.136
60 HB3 SER 8 HB1 SER 8 -10.460 5.539 -1.868
61 HG SER 8 HG SER 8 -12.911 4.501 -1.133
62 HA PRO 9 HA PRO 9 -6.799 2.407 -2.048
63 HB2 PRO 9 HB2 PRO 9 -6.256 4.037 -4.387
64 HB3 PRO 9 HB1 PRO 9 -6.452 2.278 -4.293
65 HG2 PRO 9 HG2 PRO 9 -8.212 3.870 -5.580
66 HG3 PRO 9 HG1 PRO 9 -8.681 2.354 -4.783
67 HD2 PRO 9 HD2 PRO 9 -8.895 5.166 -3.757
68 HD3 PRO 9 HD1 PRO 9 -10.121 3.875 -3.753
69 H LEU 10 HN LEU 10 -5.300 3.148 -0.744
70 HA LEU 10 HA LEU 10 -4.371 5.925 -0.967
71 HB2 LEU 10 HB2 LEU 10 -5.118 4.482 1.577
72 HB3 LEU 10 HB1 LEU 10 -4.112 5.917 1.559
73 HG LEU 10 HG LEU 10 -6.192 6.899 0.207
74 HD11 LEU 10 HD11 LEU 10 -8.292 6.074 1.150
75 HD12 LEU 10 HD12 LEU 10 -7.415 4.789 1.982
76 HD13 LEU 10 HD13 LEU 10 -7.464 4.824 0.219
77 HD21 LEU 10 HD21 LEU 10 -7.016 7.795 2.337
78 HD22 LEU 10 HD22 LEU 10 -5.257 7.845 2.235
79 HD23 LEU 10 HD23 LEU 10 -6.050 6.603 3.204
80 H CYS 11 HN CYS 11 -2.186 6.254 -0.132
81 HA CYS 11 HA CYS 11 -0.621 3.775 0.075
82 HB2 CYS 11 HB2 CYS 11 0.176 6.206 -1.542
83 HB3 CYS 11 HB1 CYS 11 1.150 4.758 -1.312
84 H THR 12 HN THR 12 0.002 3.761 2.119
85 HA THR 12 HA THR 12 0.990 6.193 3.401
86 HB THR 12 HB THR 12 1.039 4.552 5.420
87 HG1 THR 12 HG1 THR 12 -1.033 3.219 4.083
88 HG21 THR 12 HG21 THR 12 -0.535 6.426 5.225
89 HG22 THR 12 HG22 THR 12 -1.340 5.008 5.894
90 HG23 THR 12 HG23 THR 12 -1.586 5.444 4.204
91 H LYS 13 HN LYS 13 2.970 6.134 4.606
92 HA LYS 13 HA LYS 13 5.202 5.837 4.824
93 HB2 LYS 13 HB2 LYS 13 4.441 2.961 4.285
94 HB3 LYS 13 HB1 LYS 13 6.087 3.453 4.650
95 HG2 LYS 13 HG2 LYS 13 5.342 4.335 6.809
96 HG3 LYS 13 HG1 LYS 13 3.693 3.828 6.440
97 HD2 LYS 13 HD2 LYS 13 4.434 1.500 6.320
98 HD3 LYS 13 HD1 LYS 13 6.087 2.006 6.674
99 HE2 LYS 13 HE2 LYS 13 5.351 2.877 8.840
100 HE3 LYS 13 HE1 LYS 13 3.702 2.366 8.486
101 HZ1 LYS 13 HZ1 LYS 13 4.837 0.770 9.897
102 HZ2 LYS 13 HZ2 LYS 13 6.050 0.565 8.739
103 HZ3 LYS 13 HZ3 LYS 13 4.469 0.076 8.399
104 H SER 14 HN SER 14 5.986 7.066 3.255
105 HA SER 14 HA SER 14 6.028 6.381 0.493
106 HB2 SER 14 HB2 SER 14 7.565 8.505 1.996
107 HB3 SER 14 HB1 SER 14 7.439 8.394 0.241
108 HG SER 14 HG SER 14 5.004 8.334 0.944
109 H ILE 15 HN ILE 15 8.067 5.421 3.059
110 HA ILE 15 HA ILE 15 9.922 4.256 1.142
111 HB ILE 15 HB ILE 15 11.018 6.338 1.749
112 HG12 ILE 15 HG12 ILE 15 13.120 5.278 2.953
113 HG13 ILE 15 HG11 ILE 15 12.257 3.774 2.652
114 HG21 ILE 15 HG21 ILE 15 10.907 5.427 4.617
115 HG22 ILE 15 HG22 ILE 15 10.046 6.793 3.910
116 HG23 ILE 15 HG23 ILE 15 11.805 6.822 4.019
117 HD11 ILE 15 HD11 ILE 15 13.859 4.241 0.891
118 HD12 ILE 15 HD12 ILE 15 13.074 5.786 0.569
119 HD13 ILE 15 HD13 ILE 15 12.211 4.279 0.264
120 HA PRO 16 HA PRO 16 10.046 2.395 0.485
121 HB2 PRO 16 HB2 PRO 16 8.652 -0.165 0.685
122 HB3 PRO 16 HB1 PRO 16 10.327 0.141 0.200
123 HG2 PRO 16 HG2 PRO 16 9.683 -1.129 2.492
124 HG3 PRO 16 HG1 PRO 16 11.143 -0.135 2.310
125 HD2 PRO 16 HD2 PRO 16 8.525 0.585 3.579
126 HD3 PRO 16 HD1 PRO 16 10.178 0.900 4.150
127 HA PRO 17 HA PRO 17 5.752 3.338 -0.556
128 HB2 PRO 17 HB2 PRO 17 5.624 2.040 -3.132
129 HB3 PRO 17 HB1 PRO 17 5.912 3.754 -2.783
130 HG2 PRO 17 HG2 PRO 17 7.810 2.137 -3.879
131 HG3 PRO 17 HG1 PRO 17 8.197 3.532 -2.850
132 HD2 PRO 17 HD2 PRO 17 8.021 0.629 -2.099
133 HD3 PRO 17 HD1 PRO 17 9.294 1.814 -1.711
134 H ILE 18 HN ILE 18 3.798 2.630 -0.039
135 HA ILE 18 HA ILE 18 3.046 -0.160 -0.571
136 HB ILE 18 HB ILE 18 2.667 1.278 2.073
137 HG12 ILE 18 HG12 ILE 18 4.900 0.356 1.900
138 HG13 ILE 18 HG11 ILE 18 3.971 -0.616 3.028
139 HG21 ILE 18 HG21 ILE 18 1.600 -1.430 1.272
140 HG22 ILE 18 HG22 ILE 18 0.649 0.021 1.590
141 HG23 ILE 18 HG23 ILE 18 1.548 -0.749 2.899
142 HD11 ILE 18 HD11 ILE 18 5.243 -2.133 1.758
143 HD12 ILE 18 HD12 ILE 18 4.850 -1.324 0.242
144 HD13 ILE 18 HD13 ILE 18 3.610 -2.238 1.101
Start of MODEL 16
1 H CYS 1 HN CYS 1 0.975 -0.394 -1.388
2 HA CYS 1 HA CYS 1 -1.093 1.617 -1.021
3 HB2 CYS 1 HB2 CYS 1 0.005 2.181 -3.211
4 HB3 CYS 1 HB1 CYS 1 -0.466 0.591 -3.802
5 H LYS 2 HN LYS 2 -3.244 0.802 -1.564
6 HA LYS 2 HA LYS 2 -4.937 -0.700 -1.450
7 HB2 LYS 2 HB2 LYS 2 -2.882 -2.545 -2.675
8 HB3 LYS 2 HB1 LYS 2 -4.535 -3.044 -2.346
9 HG2 LYS 2 HG2 LYS 2 -5.361 -1.285 -3.833
10 HG3 LYS 2 HG1 LYS 2 -3.699 -0.796 -4.170
11 HD2 LYS 2 HD2 LYS 2 -3.237 -3.006 -5.111
12 HD3 LYS 2 HD1 LYS 2 -4.893 -3.505 -4.763
13 HE2 LYS 2 HE2 LYS 2 -4.226 -1.153 -6.519
14 HE3 LYS 2 HE1 LYS 2 -4.409 -2.789 -7.145
15 HZ1 LYS 2 HZ1 LYS 2 -6.456 -1.522 -7.352
16 HZ2 LYS 2 HZ2 LYS 2 -6.496 -1.260 -5.682
17 HZ3 LYS 2 HZ3 LYS 2 -6.670 -2.826 -6.297
18 H ARG 3 HN ARG 3 -5.827 -1.656 0.232
19 HA ARG 3 HA ARG 3 -4.133 -3.205 2.079
20 HB2 ARG 3 HB2 ARG 3 -6.039 -0.954 2.699
21 HB3 ARG 3 HB1 ARG 3 -5.637 -2.158 3.912
22 HG2 ARG 3 HG2 ARG 3 -3.272 -1.566 3.714
23 HG3 ARG 3 HG1 ARG 3 -3.683 -0.354 2.498
24 HD2 ARG 3 HD2 ARG 3 -5.058 0.827 4.141
25 HD3 ARG 3 HD1 ARG 3 -4.654 -0.388 5.354
26 HE ARG 3 HE ARG 3 -2.274 0.690 4.336
27 HH11 ARG 3 HH11 ARG 3 -4.985 1.705 6.327
28 HH12 ARG 3 HH12 ARG 3 -4.052 2.873 7.202
29 HH21 ARG 3 HH21 ARG 3 -1.075 2.224 5.494
30 HH22 ARG 3 HH22 ARG 3 -1.840 3.167 6.729
31 HA PRO 4 HA PRO 4 -7.039 -6.585 2.230
32 HB2 PRO 4 HB2 PRO 4 -7.828 -6.193 5.001
33 HB3 PRO 4 HB1 PRO 4 -6.854 -7.486 4.289
34 HG2 PRO 4 HG2 PRO 4 -5.975 -5.124 5.727
35 HG3 PRO 4 HG1 PRO 4 -5.064 -6.571 5.275
36 HD2 PRO 4 HD2 PRO 4 -4.632 -4.122 4.166
37 HD3 PRO 4 HD1 PRO 4 -4.302 -5.648 3.330
38 HA PRO 5 HA PRO 5 -11.229 -4.518 3.457
39 HB2 PRO 5 HB2 PRO 5 -10.772 -1.715 4.139
40 HB3 PRO 5 HB1 PRO 5 -11.558 -2.977 5.104
41 HG2 PRO 5 HG2 PRO 5 -9.190 -1.909 5.794
42 HG3 PRO 5 HG1 PRO 5 -9.618 -3.597 6.140
43 HD2 PRO 5 HD2 PRO 5 -7.927 -2.505 3.921
44 HD3 PRO 5 HD1 PRO 5 -7.637 -3.906 4.970
45 H GLY 6 HN GLY 6 -12.714 -3.429 2.109
46 HA2 GLY 6 HA2 GLY 6 -11.490 -2.268 -0.295
47 HA3 GLY 6 HA1 GLY 6 -13.101 -2.960 -0.192
48 H PHE 7 HN PHE 7 -11.515 -0.494 1.823
49 HA PHE 7 HA PHE 7 -13.379 1.537 0.827
50 HB2 PHE 7 HB2 PHE 7 -13.016 0.787 3.735
51 HB3 PHE 7 HB1 PHE 7 -13.747 2.301 3.213
52 HD1 PHE 7 HD1 PHE 7 -14.176 -1.316 3.479
53 HD2 PHE 7 HD2 PHE 7 -15.946 2.336 2.198
54 HE1 PHE 7 HE1 PHE 7 -16.361 -2.435 3.320
55 HE2 PHE 7 HE2 PHE 7 -18.134 1.223 2.037
56 HZ PHE 7 HZ PHE 7 -18.344 -1.165 2.599
57 H SER 8 HN SER 8 -12.609 3.617 0.860
58 HA SER 8 HA SER 8 -11.054 5.269 0.646
59 HB2 SER 8 HB2 SER 8 -9.806 5.825 2.691
60 HB3 SER 8 HB1 SER 8 -11.485 5.421 3.041
61 HG SER 8 HG SER 8 -9.410 3.507 3.211
62 HA PRO 9 HA PRO 9 -7.378 2.286 -0.265
63 HB2 PRO 9 HB2 PRO 9 -8.151 2.192 -3.091
64 HB3 PRO 9 HB1 PRO 9 -7.833 0.850 -1.976
65 HG2 PRO 9 HG2 PRO 9 -10.290 1.358 -2.898
66 HG3 PRO 9 HG1 PRO 9 -10.006 0.741 -1.257
67 HD2 PRO 9 HD2 PRO 9 -10.547 3.552 -2.141
68 HD3 PRO 9 HD1 PRO 9 -11.262 2.640 -0.793
69 H LEU 10 HN LEU 10 -5.608 3.441 -0.404
70 HA LEU 10 HA LEU 10 -5.265 5.415 -2.549
71 HB2 LEU 10 HB2 LEU 10 -4.740 5.896 0.392
72 HB3 LEU 10 HB1 LEU 10 -4.130 6.933 -0.882
73 HG LEU 10 HG LEU 10 -7.074 6.441 -0.730
74 HD11 LEU 10 HD11 LEU 10 -5.562 8.366 1.031
75 HD12 LEU 10 HD12 LEU 10 -6.470 6.952 1.568
76 HD13 LEU 10 HD13 LEU 10 -7.313 8.314 0.831
77 HD21 LEU 10 HD21 LEU 10 -5.392 8.831 -1.481
78 HD22 LEU 10 HD22 LEU 10 -7.150 8.735 -1.580
79 HD23 LEU 10 HD23 LEU 10 -6.151 7.704 -2.604
80 H CYS 11 HN CYS 11 -2.808 6.218 -2.408
81 HA CYS 11 HA CYS 11 -1.087 3.884 -1.877
82 HB2 CYS 11 HB2 CYS 11 -0.868 5.720 -4.275
83 HB3 CYS 11 HB1 CYS 11 0.183 4.360 -3.917
84 H THR 12 HN THR 12 0.396 4.390 -0.427
85 HA THR 12 HA THR 12 1.238 7.160 -0.060
86 HB THR 12 HB THR 12 2.380 6.044 1.999
87 HG1 THR 12 HG1 THR 12 0.274 4.214 1.901
88 HG21 THR 12 HG21 THR 12 0.308 6.314 3.315
89 HG22 THR 12 HG22 THR 12 -0.628 6.323 1.821
90 HG23 THR 12 HG23 THR 12 0.511 7.628 2.155
91 H LYS 13 HN LYS 13 3.435 7.732 0.072
92 HA LYS 13 HA LYS 13 5.338 5.762 -0.949
93 HB2 LYS 13 HB2 LYS 13 6.420 7.586 -2.318
94 HB3 LYS 13 HB1 LYS 13 4.875 7.001 -2.905
95 HG2 LYS 13 HG2 LYS 13 3.771 8.984 -1.971
96 HG3 LYS 13 HG1 LYS 13 5.328 9.568 -1.381
97 HD2 LYS 13 HD2 LYS 13 6.163 9.660 -3.681
98 HD3 LYS 13 HD1 LYS 13 4.605 9.076 -4.270
99 HE2 LYS 13 HE2 LYS 13 3.514 11.063 -3.354
100 HE3 LYS 13 HE1 LYS 13 5.069 11.645 -2.759
101 HZ1 LYS 13 HZ1 LYS 13 5.857 11.753 -5.043
102 HZ2 LYS 13 HZ2 LYS 13 4.472 12.703 -4.844
103 HZ3 LYS 13 HZ3 LYS 13 4.362 11.199 -5.610
104 H SER 14 HN SER 14 5.803 5.578 1.309
105 HA SER 14 HA SER 14 7.278 7.780 2.512
106 HB2 SER 14 HB2 SER 14 6.485 5.100 3.665
107 HB3 SER 14 HB1 SER 14 7.283 6.394 4.558
108 HG SER 14 HG SER 14 5.454 7.450 4.675
109 H ILE 15 HN ILE 15 8.077 4.389 2.956
110 HA ILE 15 HA ILE 15 10.295 4.220 1.261
111 HB ILE 15 HB ILE 15 11.347 5.925 2.629
112 HG12 ILE 15 HG12 ILE 15 13.324 4.471 3.597
113 HG13 ILE 15 HG11 ILE 15 12.493 3.166 2.759
114 HG21 ILE 15 HG21 ILE 15 10.946 4.123 5.009
115 HG22 ILE 15 HG22 ILE 15 10.166 5.677 4.716
116 HG23 ILE 15 HG23 ILE 15 11.906 5.604 4.995
117 HD11 ILE 15 HD11 ILE 15 14.252 4.121 1.387
118 HD12 ILE 15 HD12 ILE 15 13.498 5.712 1.505
119 HD13 ILE 15 HD13 ILE 15 12.669 4.402 0.663
120 HA PRO 16 HA PRO 16 9.994 2.777 -0.012
121 HB2 PRO 16 HB2 PRO 16 8.806 0.278 -0.794
122 HB3 PRO 16 HB1 PRO 16 10.491 0.779 -0.996
123 HG2 PRO 16 HG2 PRO 16 9.674 -1.268 0.636
124 HG3 PRO 16 HG1 PRO 16 11.187 -0.363 0.832
125 HD2 PRO 16 HD2 PRO 16 8.586 -0.021 2.274
126 HD3 PRO 16 HD1 PRO 16 10.247 0.026 2.911
127 HA PRO 17 HA PRO 17 5.601 3.661 -0.632
128 HB2 PRO 17 HB2 PRO 17 5.306 2.744 -3.378
129 HB3 PRO 17 HB1 PRO 17 5.449 4.406 -2.780
130 HG2 PRO 17 HG2 PRO 17 7.388 3.246 -4.265
131 HG3 PRO 17 HG1 PRO 17 7.742 4.448 -3.005
132 HD2 PRO 17 HD2 PRO 17 7.889 1.454 -2.846
133 HD3 PRO 17 HD1 PRO 17 9.077 2.666 -2.311
134 H ILE 18 HN ILE 18 3.691 2.811 -0.130
135 HA ILE 18 HA ILE 18 3.080 0.047 -0.928
136 HB ILE 18 HB ILE 18 2.665 1.226 1.835
137 HG12 ILE 18 HG12 ILE 18 4.959 0.505 1.544
138 HG13 ILE 18 HG11 ILE 18 4.138 -0.623 2.610
139 HG21 ILE 18 HG21 ILE 18 1.789 -1.487 0.837
140 HG22 ILE 18 HG22 ILE 18 0.738 -0.146 1.287
141 HG23 ILE 18 HG23 ILE 18 1.723 -0.943 2.513
142 HD11 ILE 18 HD11 ILE 18 3.865 -2.130 0.590
143 HD12 ILE 18 HD12 ILE 18 5.508 -1.916 1.193
144 HD13 ILE 18 HD13 ILE 18 4.979 -1.049 -0.248
Start of MODEL 17
1 H CYS 1 HN CYS 1 1.049 -0.777 -1.159
2 HA CYS 1 HA CYS 1 -1.219 0.984 -1.647
3 HB2 CYS 1 HB2 CYS 1 0.447 -0.220 -3.838
4 HB3 CYS 1 HB1 CYS 1 -1.276 0.037 -4.083
5 H LYS 2 HN LYS 2 -3.156 -0.106 -2.162
6 HA LYS 2 HA LYS 2 -4.745 -1.703 -1.974
7 HB2 LYS 2 HB2 LYS 2 -2.489 -3.560 -2.754
8 HB3 LYS 2 HB1 LYS 2 -4.169 -4.058 -2.617
9 HG2 LYS 2 HG2 LYS 2 -4.767 -2.421 -4.363
10 HG3 LYS 2 HG1 LYS 2 -3.058 -2.015 -4.531
11 HD2 LYS 2 HD2 LYS 2 -2.569 -4.326 -5.165
12 HD3 LYS 2 HD1 LYS 2 -4.274 -4.742 -4.982
13 HE2 LYS 2 HE2 LYS 2 -4.845 -3.153 -6.757
14 HE3 LYS 2 HE1 LYS 2 -3.141 -2.742 -6.937
15 HZ1 LYS 2 HZ1 LYS 2 -4.328 -5.425 -7.404
16 HZ2 LYS 2 HZ2 LYS 2 -2.695 -5.026 -7.584
17 HZ3 LYS 2 HZ3 LYS 2 -3.850 -4.335 -8.607
18 H ARG 3 HN ARG 3 -5.660 -2.183 -0.143
19 HA ARG 3 HA ARG 3 -4.166 -3.700 1.892
20 HB2 ARG 3 HB2 ARG 3 -5.872 -1.239 2.294
21 HB3 ARG 3 HB1 ARG 3 -5.456 -2.322 3.611
22 HG2 ARG 3 HG2 ARG 3 -3.266 -1.190 1.938
23 HG3 ARG 3 HG1 ARG 3 -4.045 -0.163 3.143
24 HD2 ARG 3 HD2 ARG 3 -3.531 -1.826 4.875
25 HD3 ARG 3 HD1 ARG 3 -2.736 -2.833 3.666
26 HE ARG 3 HE ARG 3 -1.497 -0.376 3.525
27 HH11 ARG 3 HH11 ARG 3 -1.925 -2.816 6.017
28 HH12 ARG 3 HH12 ARG 3 -0.444 -2.419 6.821
29 HH21 ARG 3 HH21 ARG 3 0.437 0.126 4.595
30 HH22 ARG 3 HH22 ARG 3 0.892 -0.754 6.016
31 HA PRO 4 HA PRO 4 -7.451 -6.678 2.178
32 HB2 PRO 4 HB2 PRO 4 -7.983 -6.244 4.996
33 HB3 PRO 4 HB1 PRO 4 -7.211 -7.626 4.208
34 HG2 PRO 4 HG2 PRO 4 -5.980 -5.444 5.641
35 HG3 PRO 4 HG1 PRO 4 -5.256 -6.942 5.041
36 HD2 PRO 4 HD2 PRO 4 -4.730 -4.437 4.027
37 HD3 PRO 4 HD1 PRO 4 -4.476 -5.956 3.154
38 HA PRO 5 HA PRO 5 -11.229 -4.123 3.691
39 HB2 PRO 5 HB2 PRO 5 -10.456 -1.466 4.555
40 HB3 PRO 5 HB1 PRO 5 -11.225 -2.749 5.504
41 HG2 PRO 5 HG2 PRO 5 -8.702 -1.875 5.967
42 HG3 PRO 5 HG1 PRO 5 -9.247 -3.526 6.319
43 HD2 PRO 5 HD2 PRO 5 -7.704 -2.519 3.957
44 HD3 PRO 5 HD1 PRO 5 -7.446 -3.983 4.926
45 H GLY 6 HN GLY 6 -12.500 -3.292 2.142
46 HA2 GLY 6 HA2 GLY 6 -11.254 -1.595 0.087
47 HA3 GLY 6 HA1 GLY 6 -12.694 -2.578 -0.130
48 H PHE 7 HN PHE 7 -11.844 -0.180 2.359
49 HA PHE 7 HA PHE 7 -14.028 1.543 1.430
50 HB2 PHE 7 HB2 PHE 7 -13.657 0.539 4.253
51 HB3 PHE 7 HB1 PHE 7 -14.666 1.922 3.851
52 HD1 PHE 7 HD1 PHE 7 -16.770 1.631 2.689
53 HD2 PHE 7 HD2 PHE 7 -14.326 -1.709 3.675
54 HE1 PHE 7 HE1 PHE 7 -18.662 0.120 2.247
55 HE2 PHE 7 HE2 PHE 7 -16.213 -3.226 3.232
56 HZ PHE 7 HZ PHE 7 -18.384 -2.310 2.516
57 H SER 8 HN SER 8 -10.958 1.166 2.951
58 HA SER 8 HA SER 8 -10.558 4.086 2.905
59 HB2 SER 8 HB2 SER 8 -9.657 2.198 5.096
60 HB3 SER 8 HB1 SER 8 -9.234 3.907 4.988
61 HG SER 8 HG SER 8 -11.150 4.420 5.702
62 HA PRO 9 HA PRO 9 -6.878 1.605 1.065
63 HB2 PRO 9 HB2 PRO 9 -7.750 1.983 -1.678
64 HB3 PRO 9 HB1 PRO 9 -7.465 0.462 -0.814
65 HG2 PRO 9 HG2 PRO 9 -9.922 1.255 -1.619
66 HG3 PRO 9 HG1 PRO 9 -9.644 0.243 -0.186
67 HD2 PRO 9 HD2 PRO 9 -10.132 3.194 -0.339
68 HD3 PRO 9 HD1 PRO 9 -10.833 1.993 0.768
69 H LEU 10 HN LEU 10 -5.171 2.887 1.052
70 HA LEU 10 HA LEU 10 -5.129 5.271 -0.663
71 HB2 LEU 10 HB2 LEU 10 -4.411 5.152 2.263
72 HB3 LEU 10 HB1 LEU 10 -3.830 6.424 1.207
73 HG LEU 10 HG LEU 10 -6.445 6.659 0.703
74 HD11 LEU 10 HD11 LEU 10 -6.328 5.628 3.534
75 HD12 LEU 10 HD12 LEU 10 -7.106 4.829 2.169
76 HD13 LEU 10 HD13 LEU 10 -7.729 6.369 2.762
77 HD21 LEU 10 HD21 LEU 10 -5.016 7.801 3.100
78 HD22 LEU 10 HD22 LEU 10 -6.490 8.449 2.381
79 HD23 LEU 10 HD23 LEU 10 -4.986 8.446 1.458
80 H CYS 11 HN CYS 11 -2.924 6.073 -1.088
81 HA CYS 11 HA CYS 11 -0.858 4.001 -0.802
82 HB2 CYS 11 HB2 CYS 11 -1.698 5.454 -3.301
83 HB3 CYS 11 HB1 CYS 11 -0.085 4.769 -3.142
84 H THR 12 HN THR 12 0.658 4.820 0.446
85 HA THR 12 HA THR 12 1.380 7.649 0.241
86 HB THR 12 HB THR 12 2.662 6.978 2.424
87 HG1 THR 12 HG1 THR 12 0.553 5.192 2.821
88 HG21 THR 12 HG21 THR 12 0.663 7.540 3.763
89 HG22 THR 12 HG22 THR 12 -0.354 7.246 2.353
90 HG23 THR 12 HG23 THR 12 0.801 8.580 2.345
91 H LYS 13 HN LYS 13 3.679 8.191 0.438
92 HA LYS 13 HA LYS 13 5.444 6.118 -0.673
93 HB2 LYS 13 HB2 LYS 13 5.360 9.051 -1.397
94 HB3 LYS 13 HB1 LYS 13 6.650 7.960 -1.876
95 HG2 LYS 13 HG2 LYS 13 5.136 6.660 -3.206
96 HG3 LYS 13 HG1 LYS 13 3.754 7.589 -2.618
97 HD2 LYS 13 HD2 LYS 13 4.675 9.604 -3.670
98 HD3 LYS 13 HD1 LYS 13 6.047 8.665 -4.261
99 HE2 LYS 13 HE2 LYS 13 4.522 7.263 -5.564
100 HE3 LYS 13 HE1 LYS 13 3.152 8.200 -4.971
101 HZ1 LYS 13 HZ1 LYS 13 4.073 10.158 -6.049
102 HZ2 LYS 13 HZ2 LYS 13 3.822 8.920 -7.173
103 HZ3 LYS 13 HZ3 LYS 13 5.384 9.254 -6.622
104 H SER 14 HN SER 14 5.809 5.762 1.636
105 HA SER 14 HA SER 14 7.356 7.736 3.068
106 HB2 SER 14 HB2 SER 14 6.596 4.909 3.827
107 HB3 SER 14 HB1 SER 14 7.389 6.068 4.895
108 HG SER 14 HG SER 14 5.523 7.434 4.555
109 H ILE 15 HN ILE 15 8.224 4.333 3.063
110 HA ILE 15 HA ILE 15 10.458 4.467 1.369
111 HB ILE 15 HB ILE 15 11.452 5.962 2.999
112 HG12 ILE 15 HG12 ILE 15 13.475 4.477 3.731
113 HG13 ILE 15 HG11 ILE 15 12.675 3.229 2.783
114 HG21 ILE 15 HG21 ILE 15 11.992 5.291 5.293
115 HG22 ILE 15 HG22 ILE 15 11.072 3.804 5.065
116 HG23 ILE 15 HG23 ILE 15 10.253 5.365 5.004
117 HD11 ILE 15 HD11 ILE 15 14.375 4.373 1.483
118 HD12 ILE 15 HD12 ILE 15 13.572 5.917 1.766
119 HD13 ILE 15 HD13 ILE 15 12.770 4.669 0.812
120 HA PRO 16 HA PRO 16 9.726 3.333 -0.034
121 HB2 PRO 16 HB2 PRO 16 8.721 1.005 -1.285
122 HB3 PRO 16 HB1 PRO 16 10.396 1.577 -1.335
123 HG2 PRO 16 HG2 PRO 16 9.494 -0.783 -0.133
124 HG3 PRO 16 HG1 PRO 16 11.085 -0.030 0.083
125 HD2 PRO 16 HD2 PRO 16 8.678 0.111 1.838
126 HD3 PRO 16 HD1 PRO 16 10.400 0.070 2.276
127 HA PRO 17 HA PRO 17 5.227 3.910 -0.143
128 HB2 PRO 17 HB2 PRO 17 4.752 3.035 -2.912
129 HB3 PRO 17 HB1 PRO 17 4.618 4.659 -2.216
130 HG2 PRO 17 HG2 PRO 17 6.579 4.076 -3.930
131 HG3 PRO 17 HG1 PRO 17 6.871 5.136 -2.532
132 HD2 PRO 17 HD2 PRO 17 7.468 2.208 -2.823
133 HD3 PRO 17 HD1 PRO 17 8.530 3.514 -2.248
134 H ILE 18 HN ILE 18 3.115 2.984 -0.152
135 HA ILE 18 HA ILE 18 3.003 0.062 -0.489
136 HB ILE 18 HB ILE 18 1.903 1.623 1.868
137 HG12 ILE 18 HG12 ILE 18 4.281 1.232 2.128
138 HG13 ILE 18 HG11 ILE 18 3.406 0.192 3.240
139 HG21 ILE 18 HG21 ILE 18 1.127 -0.519 2.791
140 HG22 ILE 18 HG22 ILE 18 1.588 -1.323 1.291
141 HG23 ILE 18 HG23 ILE 18 0.310 -0.108 1.282
142 HD11 ILE 18 HD11 ILE 18 3.724 -1.663 1.540
143 HD12 ILE 18 HD12 ILE 18 5.174 -1.099 2.369
144 HD13 ILE 18 HD13 ILE 18 4.849 -0.582 0.716
Start of MODEL 18
1 H CYS 1 HN CYS 1 1.450 -0.564 -0.169
2 HA CYS 1 HA CYS 1 -0.447 1.311 -1.340
3 HB2 CYS 1 HB2 CYS 1 1.035 1.016 -3.216
4 HB3 CYS 1 HB1 CYS 1 1.086 -0.726 -2.975
5 H LYS 2 HN LYS 2 -2.500 0.505 -1.498
6 HA LYS 2 HA LYS 2 -4.325 -0.745 -1.030
7 HB2 LYS 2 HB2 LYS 2 -2.452 -2.977 -1.809
8 HB3 LYS 2 HB1 LYS 2 -4.136 -3.262 -1.394
9 HG2 LYS 2 HG2 LYS 2 -4.831 -1.780 -3.218
10 HG3 LYS 2 HG1 LYS 2 -3.137 -1.522 -3.641
11 HD2 LYS 2 HD2 LYS 2 -2.885 -3.914 -4.096
12 HD3 LYS 2 HD1 LYS 2 -4.574 -4.177 -3.661
13 HE2 LYS 2 HE2 LYS 2 -3.723 -2.313 -5.866
14 HE3 LYS 2 HE1 LYS 2 -4.057 -4.021 -6.137
15 HZ1 LYS 2 HZ1 LYS 2 -5.981 -2.038 -5.044
16 HZ2 LYS 2 HZ2 LYS 2 -6.303 -3.676 -5.308
17 HZ3 LYS 2 HZ3 LYS 2 -5.989 -2.656 -6.620
18 H ARG 3 HN ARG 3 -5.132 -0.780 0.918
19 HA ARG 3 HA ARG 3 -3.971 -2.540 2.946
20 HB2 ARG 3 HB2 ARG 3 -4.155 0.397 3.099
21 HB3 ARG 3 HB1 ARG 3 -4.769 -0.448 4.513
22 HG2 ARG 3 HG2 ARG 3 -2.104 -1.213 3.424
23 HG3 ARG 3 HG1 ARG 3 -2.256 0.279 4.353
24 HD2 ARG 3 HD2 ARG 3 -3.233 -0.992 6.213
25 HD3 ARG 3 HD1 ARG 3 -3.056 -2.479 5.284
26 HE ARG 3 HE ARG 3 -0.546 -1.318 5.407
27 HH11 ARG 3 HH11 ARG 3 -2.852 -2.634 7.706
28 HH12 ARG 3 HH12 ARG 3 -1.627 -3.110 8.836
29 HH21 ARG 3 HH21 ARG 3 1.038 -1.950 6.899
30 HH22 ARG 3 HH22 ARG 3 0.572 -2.721 8.379
31 HA PRO 4 HA PRO 4 -8.627 -1.884 4.042
32 HB2 PRO 4 HB2 PRO 4 -9.931 -0.355 1.940
33 HB3 PRO 4 HB1 PRO 4 -9.799 0.032 3.664
34 HG2 PRO 4 HG2 PRO 4 -8.565 1.474 1.743
35 HG3 PRO 4 HG1 PRO 4 -7.917 1.285 3.385
36 HD2 PRO 4 HD2 PRO 4 -7.146 -0.171 0.882
37 HD3 PRO 4 HD1 PRO 4 -6.109 0.530 2.141
38 HA PRO 5 HA PRO 5 -10.215 -5.211 1.536
39 HB2 PRO 5 HB2 PRO 5 -12.951 -4.949 1.807
40 HB3 PRO 5 HB1 PRO 5 -11.889 -5.696 3.015
41 HG2 PRO 5 HG2 PRO 5 -13.018 -2.945 2.946
42 HG3 PRO 5 HG1 PRO 5 -12.803 -4.045 4.321
43 HD2 PRO 5 HD2 PRO 5 -11.127 -1.996 3.886
44 HD3 PRO 5 HD1 PRO 5 -10.562 -3.545 4.546
45 H GLY 6 HN GLY 6 -11.292 -1.998 0.813
46 HA2 GLY 6 HA2 GLY 6 -10.986 -1.629 -1.713
47 HA3 GLY 6 HA1 GLY 6 -12.239 -2.851 -1.846
48 H PHE 7 HN PHE 7 -11.793 0.060 0.177
49 HA PHE 7 HA PHE 7 -14.226 1.206 -0.962
50 HB2 PHE 7 HB2 PHE 7 -13.783 0.618 1.951
51 HB3 PHE 7 HB1 PHE 7 -14.861 1.912 1.441
52 HD1 PHE 7 HD1 PHE 7 -14.334 -1.712 1.513
53 HD2 PHE 7 HD2 PHE 7 -16.974 1.433 0.402
54 HE1 PHE 7 HE1 PHE 7 -16.151 -3.345 1.227
55 HE2 PHE 7 HE2 PHE 7 -18.797 -0.194 0.114
56 HZ PHE 7 HZ PHE 7 -18.387 -2.586 0.525
57 H SER 8 HN SER 8 -11.383 1.641 1.025
58 HA SER 8 HA SER 8 -11.173 4.434 0.114
59 HB2 SER 8 HB2 SER 8 -12.082 4.351 2.441
60 HB3 SER 8 HB1 SER 8 -10.611 3.523 2.950
61 HG SER 8 HG SER 8 -10.520 6.013 1.621
62 HA PRO 9 HA PRO 9 -7.041 1.982 0.054
63 HB2 PRO 9 HB2 PRO 9 -7.234 1.376 -2.776
64 HB3 PRO 9 HB1 PRO 9 -7.102 0.249 -1.416
65 HG2 PRO 9 HG2 PRO 9 -9.320 0.442 -2.946
66 HG3 PRO 9 HG1 PRO 9 -9.357 -0.019 -1.232
67 HD2 PRO 9 HD2 PRO 9 -9.906 2.651 -2.476
68 HD3 PRO 9 HD1 PRO 9 -10.816 1.789 -1.214
69 H LEU 10 HN LEU 10 -5.285 3.159 -0.191
70 HA LEU 10 HA LEU 10 -5.060 5.041 -2.438
71 HB2 LEU 10 HB2 LEU 10 -4.525 5.608 0.477
72 HB3 LEU 10 HB1 LEU 10 -3.871 6.597 -0.811
73 HG LEU 10 HG LEU 10 -6.450 6.707 -1.506
74 HD11 LEU 10 HD11 LEU 10 -7.211 5.270 0.310
75 HD12 LEU 10 HD12 LEU 10 -7.851 6.903 0.484
76 HD13 LEU 10 HD13 LEU 10 -6.505 6.373 1.491
77 HD21 LEU 10 HD21 LEU 10 -5.141 8.379 0.634
78 HD22 LEU 10 HD22 LEU 10 -6.564 8.840 -0.300
79 HD23 LEU 10 HD23 LEU 10 -5.013 8.621 -1.109
80 H CYS 11 HN CYS 11 -3.109 5.054 -3.422
81 HA CYS 11 HA CYS 11 -0.890 3.620 -2.124
82 HB2 CYS 11 HB2 CYS 11 -1.785 3.342 -4.996
83 HB3 CYS 11 HB1 CYS 11 -0.291 2.674 -4.346
84 H THR 12 HN THR 12 1.159 4.341 -2.532
85 HA THR 12 HA THR 12 1.377 6.990 -3.715
86 HB THR 12 HB THR 12 3.692 6.831 -2.554
87 HG1 THR 12 HG1 THR 12 2.435 5.089 -0.766
88 HG21 THR 12 HG21 THR 12 1.148 6.973 -0.917
89 HG22 THR 12 HG22 THR 12 1.892 8.317 -1.782
90 HG23 THR 12 HG23 THR 12 2.723 7.585 -0.410
91 H LYS 13 HN LYS 13 3.488 4.165 -3.446
92 HA LYS 13 HA LYS 13 3.945 4.074 -6.313
93 HB2 LYS 13 HB2 LYS 13 6.110 4.796 -4.347
94 HB3 LYS 13 HB1 LYS 13 6.495 3.998 -5.863
95 HG2 LYS 13 HG2 LYS 13 5.490 5.841 -7.100
96 HG3 LYS 13 HG1 LYS 13 5.072 6.638 -5.583
97 HD2 LYS 13 HD2 LYS 13 7.453 6.774 -5.008
98 HD3 LYS 13 HD1 LYS 13 7.864 5.990 -6.534
99 HE2 LYS 13 HE2 LYS 13 6.306 8.561 -6.384
100 HE3 LYS 13 HE1 LYS 13 8.066 8.517 -6.471
101 HZ1 LYS 13 HZ1 LYS 13 6.210 7.362 -8.485
102 HZ2 LYS 13 HZ2 LYS 13 7.898 7.339 -8.573
103 HZ3 LYS 13 HZ3 LYS 13 7.069 8.811 -8.654
104 H SER 14 HN SER 14 3.405 2.542 -3.478
105 HA SER 14 HA SER 14 3.236 0.382 -2.842
106 HB2 SER 14 HB2 SER 14 4.392 -0.387 -5.527
107 HB3 SER 14 HB1 SER 14 3.584 -1.469 -4.394
108 HG SER 14 HG SER 14 1.706 -0.728 -5.020
109 H ILE 15 HN ILE 15 6.293 1.037 -4.444
110 HA ILE 15 HA ILE 15 7.756 0.169 -2.094
111 HB ILE 15 HB ILE 15 7.518 -1.927 -3.392
112 HG12 ILE 15 HG12 ILE 15 10.083 -2.339 -3.761
113 HG13 ILE 15 HG11 ILE 15 10.249 -0.749 -3.029
114 HG21 ILE 15 HG21 ILE 15 9.009 -0.513 -5.595
115 HG22 ILE 15 HG22 ILE 15 7.336 -1.071 -5.642
116 HG23 ILE 15 HG23 ILE 15 8.653 -2.241 -5.544
117 HD11 ILE 15 HD11 ILE 15 9.026 -3.209 -1.806
118 HD12 ILE 15 HD12 ILE 15 8.945 -1.605 -1.078
119 HD13 ILE 15 HD13 ILE 15 10.509 -2.384 -1.323
120 HA PRO 16 HA PRO 16 9.996 0.455 -1.158
121 HB2 PRO 16 HB2 PRO 16 10.494 3.224 -0.219
122 HB3 PRO 16 HB1 PRO 16 11.509 1.777 -0.073
123 HG2 PRO 16 HG2 PRO 16 12.167 3.678 -1.768
124 HG3 PRO 16 HG1 PRO 16 12.338 1.968 -2.220
125 HD2 PRO 16 HD2 PRO 16 10.188 3.908 -2.985
126 HD3 PRO 16 HD1 PRO 16 11.050 2.729 -3.995
127 HA PRO 17 HA PRO 17 6.712 3.305 1.290
128 HB2 PRO 17 HB2 PRO 17 4.662 4.153 -0.378
129 HB3 PRO 17 HB1 PRO 17 6.005 5.171 0.174
130 HG2 PRO 17 HG2 PRO 17 5.708 3.686 -2.409
131 HG3 PRO 17 HG1 PRO 17 6.295 5.341 -2.123
132 HD2 PRO 17 HD2 PRO 17 8.009 3.379 -2.574
133 HD3 PRO 17 HD1 PRO 17 8.360 4.612 -1.345
134 H ILE 18 HN ILE 18 3.847 3.099 0.624
135 HA ILE 18 HA ILE 18 3.523 0.175 0.473
136 HB ILE 18 HB ILE 18 2.182 2.029 2.465
137 HG12 ILE 18 HG12 ILE 18 4.470 1.572 3.137
138 HG13 ILE 18 HG11 ILE 18 3.371 0.713 4.202
139 HG21 ILE 18 HG21 ILE 18 0.608 0.301 1.817
140 HG22 ILE 18 HG22 ILE 18 1.158 0.034 3.471
141 HG23 ILE 18 HG23 ILE 18 1.802 -0.952 2.157
142 HD11 ILE 18 HD11 ILE 18 3.830 -1.352 2.822
143 HD12 ILE 18 HD12 ILE 18 5.190 -0.737 3.761
144 HD13 ILE 18 HD13 ILE 18 5.109 -0.432 2.026
Start of MODEL 19
1 H CYS 1 HN CYS 1 1.370 -0.629 -1.214
2 HA CYS 1 HA CYS 1 -0.771 1.274 -1.725
3 HB2 CYS 1 HB2 CYS 1 0.919 0.083 -3.881
4 HB3 CYS 1 HB1 CYS 1 -0.806 0.260 -4.181
5 H LYS 2 HN LYS 2 -2.766 0.306 -2.294
6 HA LYS 2 HA LYS 2 -4.451 -1.198 -2.146
7 HB2 LYS 2 HB2 LYS 2 -2.286 -3.181 -2.869
8 HB3 LYS 2 HB1 LYS 2 -3.992 -3.592 -2.755
9 HG2 LYS 2 HG2 LYS 2 -4.482 -1.953 -4.527
10 HG3 LYS 2 HG1 LYS 2 -2.756 -1.612 -4.662
11 HD2 LYS 2 HD2 LYS 2 -2.341 -3.947 -5.273
12 HD3 LYS 2 HD1 LYS 2 -4.065 -4.295 -5.125
13 HE2 LYS 2 HE2 LYS 2 -3.662 -4.000 -7.431
14 HE3 LYS 2 HE1 LYS 2 -4.440 -2.514 -6.886
15 HZ1 LYS 2 HZ1 LYS 2 -2.568 -2.051 -8.338
16 HZ2 LYS 2 HZ2 LYS 2 -1.520 -2.886 -7.306
17 HZ3 LYS 2 HZ3 LYS 2 -2.263 -1.461 -6.782
18 H ARG 3 HN ARG 3 -5.449 -1.654 -0.341
19 HA ARG 3 HA ARG 3 -4.073 -3.219 1.733
20 HB2 ARG 3 HB2 ARG 3 -5.624 -0.654 2.076
21 HB3 ARG 3 HB1 ARG 3 -5.344 -1.758 3.414
22 HG2 ARG 3 HG2 ARG 3 -2.932 -1.498 3.129
23 HG3 ARG 3 HG1 ARG 3 -3.210 -0.395 1.781
24 HD2 ARG 3 HD2 ARG 3 -4.393 1.135 3.286
25 HD3 ARG 3 HD1 ARG 3 -4.102 0.032 4.631
26 HE ARG 3 HE ARG 3 -1.636 0.653 3.487
27 HH11 ARG 3 HH11 ARG 3 -4.168 2.319 5.261
28 HH12 ARG 3 HH12 ARG 3 -3.081 3.480 5.947
29 HH21 ARG 3 HH21 ARG 3 -0.232 2.183 4.396
30 HH22 ARG 3 HH22 ARG 3 -0.855 3.402 5.457
31 HA PRO 4 HA PRO 4 -7.777 -5.720 1.938
32 HB2 PRO 4 HB2 PRO 4 -7.786 -5.616 4.897
33 HB3 PRO 4 HB1 PRO 4 -7.583 -7.012 3.823
34 HG2 PRO 4 HG2 PRO 4 -5.544 -6.069 5.230
35 HG3 PRO 4 HG1 PRO 4 -5.324 -6.681 3.577
36 HD2 PRO 4 HD2 PRO 4 -5.499 -3.847 4.526
37 HD3 PRO 4 HD1 PRO 4 -4.391 -4.575 3.346
38 HA PRO 5 HA PRO 5 -11.481 -3.273 2.564
39 HB2 PRO 5 HB2 PRO 5 -12.775 -5.514 4.026
40 HB3 PRO 5 HB1 PRO 5 -13.296 -4.681 2.550
41 HG2 PRO 5 HG2 PRO 5 -12.330 -7.135 2.429
42 HG3 PRO 5 HG1 PRO 5 -11.925 -5.932 1.187
43 HD2 PRO 5 HD2 PRO 5 -10.268 -6.899 3.482
44 HD3 PRO 5 HD1 PRO 5 -9.789 -6.558 1.807
45 H GLY 6 HN GLY 6 -12.695 -2.088 4.076
46 HA2 GLY 6 HA2 GLY 6 -13.416 -1.813 6.422
47 HA3 GLY 6 HA1 GLY 6 -11.813 -2.360 6.886
48 H PHE 7 HN PHE 7 -10.668 -0.730 4.609
49 HA PHE 7 HA PHE 7 -10.990 1.968 5.742
50 HB2 PHE 7 HB2 PHE 7 -8.409 0.523 5.114
51 HB3 PHE 7 HB1 PHE 7 -8.497 2.265 5.346
52 HD1 PHE 7 HD1 PHE 7 -8.678 -1.003 6.970
53 HD2 PHE 7 HD2 PHE 7 -8.898 3.210 7.538
54 HE1 PHE 7 HE1 PHE 7 -8.440 -1.321 9.398
55 HE2 PHE 7 HE2 PHE 7 -8.660 2.898 9.966
56 HZ PHE 7 HZ PHE 7 -8.431 0.630 10.900
57 H SER 8 HN SER 8 -10.064 3.682 4.257
58 HA SER 8 HA SER 8 -11.139 3.298 1.626
59 HB2 SER 8 HB2 SER 8 -9.895 5.638 3.077
60 HB3 SER 8 HB1 SER 8 -10.339 5.749 1.374
61 HG SER 8 HG SER 8 -12.234 6.234 2.144
62 HA PRO 9 HA PRO 9 -7.224 2.558 -0.477
63 HB2 PRO 9 HB2 PRO 9 -7.626 4.307 -2.753
64 HB3 PRO 9 HB1 PRO 9 -7.854 2.552 -2.663
65 HG2 PRO 9 HG2 PRO 9 -9.905 4.275 -3.023
66 HG3 PRO 9 HG1 PRO 9 -10.079 2.722 -2.180
67 HD2 PRO 9 HD2 PRO 9 -9.708 5.464 -1.020
68 HD3 PRO 9 HD1 PRO 9 -10.882 4.205 -0.569
69 H LEU 10 HN LEU 10 -5.359 3.229 0.323
70 HA LEU 10 HA LEU 10 -4.408 5.936 -0.290
71 HB2 LEU 10 HB2 LEU 10 -4.317 4.618 2.427
72 HB3 LEU 10 HB1 LEU 10 -3.371 6.030 2.001
73 HG LEU 10 HG LEU 10 -5.796 6.975 1.377
74 HD11 LEU 10 HD11 LEU 10 -6.312 5.011 3.607
75 HD12 LEU 10 HD12 LEU 10 -6.970 4.924 1.973
76 HD13 LEU 10 HD13 LEU 10 -7.433 6.249 3.038
77 HD21 LEU 10 HD21 LEU 10 -4.214 8.029 2.884
78 HD22 LEU 10 HD22 LEU 10 -4.614 6.866 4.149
79 HD23 LEU 10 HD23 LEU 10 -5.828 8.020 3.596
80 H CYS 11 HN CYS 11 -2.149 6.141 -0.456
81 HA CYS 11 HA CYS 11 -0.623 3.630 -0.415
82 HB2 CYS 11 HB2 CYS 11 -0.844 5.627 -2.649
83 HB3 CYS 11 HB1 CYS 11 0.608 4.650 -2.472
84 H THR 12 HN THR 12 0.088 4.409 1.664
85 HA THR 12 HA THR 12 2.491 6.004 1.437
86 HB THR 12 HB THR 12 0.998 7.768 1.928
87 HG1 THR 12 HG1 THR 12 2.043 7.184 4.489
88 HG21 THR 12 HG21 THR 12 -0.054 6.155 4.269
89 HG22 THR 12 HG22 THR 12 -0.939 6.526 2.788
90 HG23 THR 12 HG23 THR 12 -0.500 7.822 3.901
91 H LYS 13 HN LYS 13 3.761 6.045 3.385
92 HA LYS 13 HA LYS 13 3.380 4.376 5.612
93 HB2 LYS 13 HB2 LYS 13 3.748 2.656 3.681
94 HB3 LYS 13 HB1 LYS 13 5.431 3.145 3.779
95 HG2 LYS 13 HG2 LYS 13 4.992 2.632 6.368
96 HG3 LYS 13 HG1 LYS 13 3.810 1.533 5.656
97 HD2 LYS 13 HD2 LYS 13 5.618 0.590 4.238
98 HD3 LYS 13 HD1 LYS 13 6.771 1.630 5.072
99 HE2 LYS 13 HE2 LYS 13 6.929 -0.474 6.124
100 HE3 LYS 13 HE1 LYS 13 5.997 0.542 7.221
101 HZ1 LYS 13 HZ1 LYS 13 3.970 -0.477 6.385
102 HZ2 LYS 13 HZ2 LYS 13 5.016 -1.652 7.005
103 HZ3 LYS 13 HZ3 LYS 13 4.866 -1.454 5.332
104 H SER 14 HN SER 14 6.470 4.370 3.990
105 HA SER 14 HA SER 14 7.453 6.812 5.091
106 HB2 SER 14 HB2 SER 14 7.508 5.315 7.113
107 HB3 SER 14 HB1 SER 14 8.622 4.262 6.241
108 HG SER 14 HG SER 14 9.031 6.847 7.256
109 H ILE 15 HN ILE 15 8.865 3.663 4.338
110 HA ILE 15 HA ILE 15 9.685 4.175 1.729
111 HB ILE 15 HB ILE 15 11.187 5.875 2.712
112 HG12 ILE 15 HG12 ILE 15 13.436 4.754 1.867
113 HG13 ILE 15 HG11 ILE 15 12.331 3.508 1.296
114 HG21 ILE 15 HG21 ILE 15 11.591 4.950 4.902
115 HG22 ILE 15 HG22 ILE 15 13.123 5.254 4.080
116 HG23 ILE 15 HG23 ILE 15 12.498 3.609 4.199
117 HD11 ILE 15 HD11 ILE 15 12.805 5.113 -0.452
118 HD12 ILE 15 HD12 ILE 15 12.240 6.430 0.575
119 HD13 ILE 15 HD13 ILE 15 11.108 5.199 0.017
120 HA PRO 16 HA PRO 16 10.276 3.011 0.023
121 HB2 PRO 16 HB2 PRO 16 9.089 0.475 -0.877
122 HB3 PRO 16 HB1 PRO 16 10.553 1.283 -1.461
123 HG2 PRO 16 HG2 PRO 16 10.654 -1.022 -0.104
124 HG3 PRO 16 HG1 PRO 16 11.915 0.221 0.039
125 HD2 PRO 16 HD2 PRO 16 9.621 -0.346 1.884
126 HD3 PRO 16 HD1 PRO 16 11.330 -0.047 2.274
127 HA PRO 17 HA PRO 17 5.825 3.792 0.118
128 HB2 PRO 17 HB2 PRO 17 5.196 3.220 -2.680
129 HB3 PRO 17 HB1 PRO 17 5.309 4.791 -1.864
130 HG2 PRO 17 HG2 PRO 17 7.108 4.041 -3.722
131 HG3 PRO 17 HG1 PRO 17 7.562 5.034 -2.318
132 HD2 PRO 17 HD2 PRO 17 7.860 2.071 -2.701
133 HD3 PRO 17 HD1 PRO 17 9.058 3.254 -2.126
134 H ILE 18 HN ILE 18 3.618 3.002 -0.056
135 HA ILE 18 HA ILE 18 3.382 0.101 -0.504
136 HB ILE 18 HB ILE 18 2.275 1.646 1.862
137 HG12 ILE 18 HG12 ILE 18 4.616 1.109 2.192
138 HG13 ILE 18 HG11 ILE 18 3.639 0.094 3.239
139 HG21 ILE 18 HG21 ILE 18 1.348 -0.475 2.691
140 HG22 ILE 18 HG22 ILE 18 1.818 -1.261 1.184
141 HG23 ILE 18 HG23 ILE 18 0.611 0.025 1.168
142 HD11 ILE 18 HD11 ILE 18 5.131 -0.700 0.750
143 HD12 ILE 18 HD12 ILE 18 3.917 -1.733 1.502
144 HD13 ILE 18 HD13 ILE 18 5.364 -1.277 2.402
Start of MODEL 20
1 H CYS 1 HN CYS 1 0.930 -0.739 -1.175
2 HA CYS 1 HA CYS 1 -0.982 1.414 -1.524
3 HB2 CYS 1 HB2 CYS 1 0.325 0.071 -3.805
4 HB3 CYS 1 HB1 CYS 1 -1.429 0.196 -3.906
5 H LYS 2 HN LYS 2 -3.147 0.720 -1.794
6 HA LYS 2 HA LYS 2 -4.985 -0.531 -1.387
7 HB2 LYS 2 HB2 LYS 2 -3.159 -2.827 -2.105
8 HB3 LYS 2 HB1 LYS 2 -4.856 -3.047 -1.704
9 HG2 LYS 2 HG2 LYS 2 -5.487 -1.612 -3.580
10 HG3 LYS 2 HG1 LYS 2 -3.783 -1.393 -3.982
11 HD2 LYS 2 HD2 LYS 2 -3.568 -3.806 -4.360
12 HD3 LYS 2 HD1 LYS 2 -5.274 -4.018 -3.966
13 HE2 LYS 2 HE2 LYS 2 -5.160 -3.997 -6.320
14 HE3 LYS 2 HE1 LYS 2 -5.770 -2.409 -5.859
15 HZ1 LYS 2 HZ1 LYS 2 -2.958 -3.037 -6.589
16 HZ2 LYS 2 HZ2 LYS 2 -3.542 -1.514 -6.145
17 HZ3 LYS 2 HZ3 LYS 2 -4.080 -2.240 -7.573
18 H ARG 3 HN ARG 3 -5.703 -0.411 0.587
19 HA ARG 3 HA ARG 3 -4.467 -2.060 2.686
20 HB2 ARG 3 HB2 ARG 3 -5.133 0.853 2.713
21 HB3 ARG 3 HB1 ARG 3 -5.310 -0.062 4.204
22 HG2 ARG 3 HG2 ARG 3 -2.942 -0.785 3.967
23 HG3 ARG 3 HG1 ARG 3 -2.802 0.301 2.582
24 HD2 ARG 3 HD2 ARG 3 -3.191 2.213 3.929
25 HD3 ARG 3 HD1 ARG 3 -3.699 1.227 5.301
26 HE ARG 3 HE ARG 3 -0.979 0.795 4.411
27 HH11 ARG 3 HH11 ARG 3 -3.052 2.567 6.624
28 HH12 ARG 3 HH12 ARG 3 -1.765 2.923 7.727
29 HH21 ARG 3 HH21 ARG 3 0.689 1.264 5.875
30 HH22 ARG 3 HH22 ARG 3 0.351 2.185 7.301
31 HA PRO 4 HA PRO 4 -8.530 -3.633 3.725
32 HB2 PRO 4 HB2 PRO 4 -8.162 -2.713 6.539
33 HB3 PRO 4 HB1 PRO 4 -8.540 -4.334 5.925
34 HG2 PRO 4 HG2 PRO 4 -6.131 -3.797 6.838
35 HG3 PRO 4 HG1 PRO 4 -6.345 -4.793 5.383
36 HD2 PRO 4 HD2 PRO 4 -5.521 -1.928 5.600
37 HD3 PRO 4 HD1 PRO 4 -4.920 -3.201 4.517
38 HA PRO 5 HA PRO 5 -11.594 -0.369 3.726
39 HB2 PRO 5 HB2 PRO 5 -13.240 -1.827 5.721
40 HB3 PRO 5 HB1 PRO 5 -13.654 -1.316 4.074
41 HG2 PRO 5 HG2 PRO 5 -13.223 -3.866 4.622
42 HG3 PRO 5 HG1 PRO 5 -12.658 -3.147 3.101
43 HD2 PRO 5 HD2 PRO 5 -11.097 -3.805 5.567
44 HD3 PRO 5 HD1 PRO 5 -10.663 -4.030 3.861
45 H GLY 6 HN GLY 6 -11.673 1.550 4.677
46 HA2 GLY 6 HA2 GLY 6 -11.700 1.756 7.603
47 HA3 GLY 6 HA1 GLY 6 -10.412 2.572 6.726
48 H PHE 7 HN PHE 7 -10.827 4.459 5.641
49 HA PHE 7 HA PHE 7 -13.573 5.489 5.715
50 HB2 PHE 7 HB2 PHE 7 -11.952 6.373 7.559
51 HB3 PHE 7 HB1 PHE 7 -11.253 7.315 6.249
52 HD1 PHE 7 HD1 PHE 7 -12.488 9.127 5.220
53 HD2 PHE 7 HD2 PHE 7 -14.168 6.848 8.399
54 HE1 PHE 7 HE1 PHE 7 -14.222 10.844 5.531
55 HE2 PHE 7 HE2 PHE 7 -15.906 8.562 8.713
56 HZ PHE 7 HZ PHE 7 -15.935 10.562 7.278
57 H SER 8 HN SER 8 -10.334 6.002 4.411
58 HA SER 8 HA SER 8 -11.485 6.520 1.783
59 HB2 SER 8 HB2 SER 8 -10.040 8.511 1.444
60 HB3 SER 8 HB1 SER 8 -11.125 8.743 2.814
61 HG SER 8 HG SER 8 -8.382 8.019 2.919
62 HA PRO 9 HA PRO 9 -7.865 4.102 0.557
63 HB2 PRO 9 HB2 PRO 9 -7.317 5.407 -1.956
64 HB3 PRO 9 HB1 PRO 9 -8.252 3.927 -1.680
65 HG2 PRO 9 HG2 PRO 9 -9.353 6.230 -2.610
66 HG3 PRO 9 HG1 PRO 9 -10.249 5.021 -1.667
67 HD2 PRO 9 HD2 PRO 9 -8.959 7.565 -0.733
68 HD3 PRO 9 HD1 PRO 9 -10.588 6.937 -0.380
69 H LEU 10 HN LEU 10 -5.737 4.012 0.965
70 HA LEU 10 HA LEU 10 -4.084 6.419 0.618
71 HB2 LEU 10 HB2 LEU 10 -4.221 4.697 3.096
72 HB3 LEU 10 HB1 LEU 10 -2.940 5.851 2.786
73 HG LEU 10 HG LEU 10 -5.007 7.518 2.551
74 HD11 LEU 10 HD11 LEU 10 -6.004 5.410 4.465
75 HD12 LEU 10 HD12 LEU 10 -6.707 5.804 2.895
76 HD13 LEU 10 HD13 LEU 10 -6.733 6.993 4.196
77 HD21 LEU 10 HD21 LEU 10 -3.142 7.797 4.078
78 HD22 LEU 10 HD22 LEU 10 -3.823 6.584 5.162
79 HD23 LEU 10 HD23 LEU 10 -4.666 8.113 4.907
80 H CYS 11 HN CYS 11 -1.873 6.035 0.252
81 HA CYS 11 HA CYS 11 -1.124 3.235 -0.217
82 HB2 CYS 11 HB2 CYS 11 -1.095 5.501 -2.144
83 HB3 CYS 11 HB1 CYS 11 0.262 4.383 -2.205
84 H THR 12 HN THR 12 -0.266 3.825 2.026
85 HA THR 12 HA THR 12 2.579 4.189 1.790
86 HB THR 12 HB THR 12 1.455 6.015 3.870
87 HG1 THR 12 HG1 THR 12 1.712 6.799 1.130
88 HG21 THR 12 HG21 THR 12 3.493 7.295 3.311
89 HG22 THR 12 HG22 THR 12 3.840 6.173 1.994
90 HG23 THR 12 HG23 THR 12 3.881 5.611 3.665
91 H LYS 13 HN LYS 13 3.732 3.500 3.612
92 HA LYS 13 HA LYS 13 2.207 2.329 5.818
93 HB2 LYS 13 HB2 LYS 13 2.932 0.662 3.925
94 HB3 LYS 13 HB1 LYS 13 4.520 0.811 4.657
95 HG2 LYS 13 HG2 LYS 13 3.616 0.020 6.786
96 HG3 LYS 13 HG1 LYS 13 2.015 -0.116 6.058
97 HD2 LYS 13 HD2 LYS 13 2.899 -1.758 4.456
98 HD3 LYS 13 HD1 LYS 13 4.484 -1.635 5.220
99 HE2 LYS 13 HE2 LYS 13 3.532 -2.442 7.325
100 HE3 LYS 13 HE1 LYS 13 1.947 -2.561 6.561
101 HZ1 LYS 13 HZ1 LYS 13 3.052 -4.705 6.641
102 HZ2 LYS 13 HZ2 LYS 13 4.366 -4.093 5.769
103 HZ3 LYS 13 HZ3 LYS 13 2.846 -4.207 5.038
104 H SER 14 HN SER 14 5.548 2.600 4.703
105 HA SER 14 HA SER 14 6.336 4.409 6.766
106 HB2 SER 14 HB2 SER 14 6.316 2.236 8.029
107 HB3 SER 14 HB1 SER 14 7.536 1.630 6.910
108 HG SER 14 HG SER 14 8.353 3.985 7.832
109 H ILE 15 HN ILE 15 8.045 1.846 5.048
110 HA ILE 15 HA ILE 15 8.994 3.316 2.881
111 HB ILE 15 HB ILE 15 10.259 4.627 4.561
112 HG12 ILE 15 HG12 ILE 15 12.652 4.034 3.581
113 HG13 ILE 15 HG11 ILE 15 11.701 3.032 2.491
114 HG21 ILE 15 HG21 ILE 15 11.674 2.055 5.234
115 HG22 ILE 15 HG22 ILE 15 10.604 2.978 6.289
116 HG23 ILE 15 HG23 ILE 15 12.151 3.661 5.786
117 HD11 ILE 15 HD11 ILE 15 11.413 6.002 2.889
118 HD12 ILE 15 HD12 ILE 15 10.413 5.012 1.826
119 HD13 ILE 15 HD13 ILE 15 12.138 5.192 1.502
120 HA PRO 16 HA PRO 16 9.953 2.898 0.939
121 HB2 PRO 16 HB2 PRO 16 9.049 0.787 -0.914
122 HB3 PRO 16 HB1 PRO 16 10.477 1.828 -1.026
123 HG2 PRO 16 HG2 PRO 16 10.695 -0.784 -0.547
124 HG3 PRO 16 HG1 PRO 16 11.794 0.399 0.195
125 HD2 PRO 16 HD2 PRO 16 9.387 -0.932 1.390
126 HD3 PRO 16 HD1 PRO 16 11.008 -0.708 2.086
127 HA PRO 17 HA PRO 17 5.489 3.578 0.642
128 HB2 PRO 17 HB2 PRO 17 5.246 3.573 -2.298
129 HB3 PRO 17 HB1 PRO 17 5.008 4.910 -1.154
130 HG2 PRO 17 HG2 PRO 17 7.119 4.885 -2.786
131 HG3 PRO 17 HG1 PRO 17 7.262 5.467 -1.112
132 HD2 PRO 17 HD2 PRO 17 7.990 2.782 -2.237
133 HD3 PRO 17 HD1 PRO 17 8.940 3.849 -1.178
134 H ILE 18 HN ILE 18 3.390 2.711 0.199
135 HA ILE 18 HA ILE 18 3.344 0.030 -0.993
136 HB ILE 18 HB ILE 18 3.389 0.467 1.717
137 HG12 ILE 18 HG12 ILE 18 3.928 -1.646 0.651
138 HG13 ILE 18 HG11 ILE 18 2.808 -1.907 1.974
139 HG21 ILE 18 HG21 ILE 18 1.208 1.399 1.915
140 HG22 ILE 18 HG22 ILE 18 1.190 -0.212 2.631
141 HG23 ILE 18 HG23 ILE 18 0.489 0.050 1.033
142 HD11 ILE 18 HD11 ILE 18 0.976 -2.113 0.300
143 HD12 ILE 18 HD12 ILE 18 2.226 -3.347 0.156
144 HD13 ILE 18 HD13 ILE 18 2.188 -1.995 -0.975