NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
537696 |
2lcn   |
17618 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ACE 0 HA2 ACE 0 16.336 -6.387 12.711
2 H2 ACE 0 HA3 ACE 0 15.096 -7.406 11.978
3 H3 ACE 0 HA1 ACE 0 15.800 -7.853 13.531
4 H GLY 1 HN GLY 1 14.294 -4.903 12.130
5 HA2 GLY 1 HA2 GLY 1 12.237 -4.911 14.158
6 HA3 GLY 1 HA1 GLY 1 13.384 -3.582 14.232
7 H TRP 2 HN TRP 2 12.386 -1.938 13.556
8 HA TRP 2 HA TRP 2 10.268 -1.829 11.722
9 HB2 TRP 2 HB2 TRP 2 10.138 0.241 12.696
10 HB3 TRP 2 HB1 TRP 2 11.733 0.013 13.380
11 HD1 TRP 2 HD1 TRP 2 13.667 1.271 12.344
12 HE1 TRP 2 HE1 TRP 2 13.888 3.052 10.466
13 HE3 TRP 2 HE3 TRP 2 9.021 0.949 10.313
14 HZ2 TRP 2 HZ2 TRP 2 12.274 4.163 8.386
15 HZ3 TRP 2 HZ3 TRP 2 8.375 2.369 8.389
16 HH2 TRP 2 HH2 TRP 2 9.995 3.978 7.422
17 H TRP 3 HN TRP 3 13.783 -1.654 11.190
18 HA TRP 3 HA TRP 3 13.898 -0.581 8.672
19 HB2 TRP 3 HB2 TRP 3 16.066 -1.438 8.599
20 HB3 TRP 3 HB1 TRP 3 15.744 -1.469 10.320
21 HD1 TRP 3 HD1 TRP 3 15.520 -3.768 11.462
22 HE1 TRP 3 HE1 TRP 3 16.039 -6.190 10.714
23 HE3 TRP 3 HE3 TRP 3 16.057 -3.020 6.468
24 HZ2 TRP 3 HZ2 TRP 3 16.605 -7.598 8.297
25 HZ3 TRP 3 HZ3 TRP 3 16.584 -4.899 4.953
26 HH2 TRP 3 HH2 TRP 3 16.859 -7.185 5.860
27 H LEU 4 HN LEU 4 11.907 -3.156 9.353
28 HA LEU 4 HA LEU 4 12.440 -4.784 7.080
29 HB2 LEU 4 HB2 LEU 4 10.171 -4.506 9.025
30 HB3 LEU 4 HB1 LEU 4 9.970 -5.512 7.594
31 HG LEU 4 HG LEU 4 12.407 -5.884 9.354
32 HD11 LEU 4 HD11 LEU 4 11.224 -7.548 10.674
33 HD12 LEU 4 HD12 LEU 4 9.733 -7.238 9.785
34 HD13 LEU 4 HD13 LEU 4 10.408 -5.994 10.832
35 HD21 LEU 4 HD21 LEU 4 10.778 -7.704 7.539
36 HD22 LEU 4 HD22 LEU 4 12.128 -8.247 8.530
37 HD23 LEU 4 HD23 LEU 4 12.404 -7.095 7.230
38 H ALA 5 HN ALA 5 10.826 -1.810 7.631
39 HA ALA 5 HA ALA 5 9.058 -1.808 5.405
40 HB1 ALA 5 HB1 ALA 5 8.757 0.512 5.860
41 HB2 ALA 5 HB2 ALA 5 10.314 0.626 6.684
42 HB3 ALA 5 HB3 ALA 5 8.984 -0.265 7.427
43 H LEU 6 HN LEU 6 12.434 -1.604 5.644
44 HA LEU 6 HA LEU 6 12.843 -0.055 3.222
45 HB2 LEU 6 HB2 LEU 6 14.635 -1.380 5.202
46 HB3 LEU 6 HB1 LEU 6 15.269 -0.672 3.736
47 HG LEU 6 HG LEU 6 13.519 0.941 5.571
48 HD11 LEU 6 HD11 LEU 6 15.349 0.037 6.943
49 HD12 LEU 6 HD12 LEU 6 15.542 1.771 6.699
50 HD13 LEU 6 HD13 LEU 6 16.521 0.633 5.773
51 HD21 LEU 6 HD21 LEU 6 14.944 2.801 4.616
52 HD22 LEU 6 HD22 LEU 6 13.968 1.968 3.413
53 HD23 LEU 6 HD23 LEU 6 15.688 1.609 3.553
54 H ALA 7 HN ALA 7 12.584 -3.296 4.279
55 HA ALA 7 HA ALA 7 13.977 -4.522 2.096
56 HB1 ALA 7 HB1 ALA 7 12.011 -5.610 4.116
57 HB2 ALA 7 HB2 ALA 7 13.769 -5.734 4.174
58 HB3 ALA 7 HB3 ALA 7 12.863 -6.604 2.935
59 H LEU 8 HN LEU 8 10.884 -3.156 2.573
60 HA LEU 8 HA LEU 8 9.415 -4.662 0.652
61 HB2 LEU 8 HB2 LEU 8 8.862 -1.838 1.546
62 HB3 LEU 8 HB1 LEU 8 7.710 -3.012 0.907
63 HG LEU 8 HG LEU 8 9.232 -3.287 3.516
64 HD11 LEU 8 HD11 LEU 8 6.318 -2.671 2.937
65 HD12 LEU 8 HD12 LEU 8 7.499 -1.554 3.620
66 HD13 LEU 8 HD13 LEU 8 6.990 -2.970 4.540
67 HD21 LEU 8 HD21 LEU 8 7.437 -5.166 3.789
68 HD22 LEU 8 HD22 LEU 8 8.819 -5.497 2.752
69 HD23 LEU 8 HD23 LEU 8 7.269 -5.060 2.035
70 H ALA 9 HN ALA 9 11.569 -1.903 0.477
71 HA ALA 9 HA ALA 9 11.753 -2.116 -2.356
72 HB1 ALA 9 HB1 ALA 9 9.628 -1.046 -2.446
73 HB2 ALA 9 HB2 ALA 9 10.827 0.187 -2.839
74 HB3 ALA 9 HB3 ALA 9 10.103 0.140 -1.232
75 HA PRO 10 HA PRO 10 15.246 -0.165 0.178
76 HB2 PRO 10 HB2 PRO 10 16.615 -1.819 -1.920
77 HB3 PRO 10 HB1 PRO 10 17.063 -1.572 -0.216
78 HG2 PRO 10 HG2 PRO 10 15.913 -3.830 -0.975
79 HG3 PRO 10 HG1 PRO 10 15.459 -3.060 0.560
80 HD2 PRO 10 HD2 PRO 10 13.925 -3.154 -2.007
81 HD3 PRO 10 HD1 PRO 10 13.317 -3.120 -0.335
82 H ALA 11 HN ALA 11 17.152 1.103 -0.869
83 HA ALA 11 HA ALA 11 16.121 3.033 -2.645
84 HB1 ALA 11 HB1 ALA 11 18.955 2.357 -1.854
85 HB2 ALA 11 HB2 ALA 11 17.945 3.665 -1.236
86 HB3 ALA 11 HB3 ALA 11 18.545 3.719 -2.896
87 H LEU 12 HN LEU 12 17.071 -0.102 -3.263
88 HA LEU 12 HA LEU 12 18.430 0.094 -5.716
89 HB2 LEU 12 HB2 LEU 12 16.586 -2.009 -4.589
90 HB3 LEU 12 HB1 LEU 12 17.338 -2.200 -6.167
91 HG LEU 12 HG LEU 12 19.037 -1.530 -3.754
92 HD11 LEU 12 HD11 LEU 12 19.436 -4.006 -3.519
93 HD12 LEU 12 HD12 LEU 12 18.069 -4.275 -4.601
94 HD13 LEU 12 HD13 LEU 12 17.817 -3.493 -3.041
95 HD21 LEU 12 HD21 LEU 12 20.198 -1.410 -5.881
96 HD22 LEU 12 HD22 LEU 12 19.522 -2.951 -6.404
97 HD23 LEU 12 HD23 LEU 12 20.701 -2.904 -5.099
98 H ALA 13 HN ALA 13 14.932 -0.527 -5.223
99 HA ALA 13 HA ALA 13 14.140 -0.279 -7.867
100 HB1 ALA 13 HB1 ALA 13 12.585 -1.065 -6.208
101 HB2 ALA 13 HB2 ALA 13 11.908 0.396 -6.930
102 HB3 ALA 13 HB3 ALA 13 12.665 0.467 -5.338
103 H LEU 14 HN LEU 14 15.056 2.187 -5.611
104 HA LEU 14 HA LEU 14 13.959 4.369 -7.144
105 HB2 LEU 14 HB2 LEU 14 14.105 4.807 -4.826
106 HB3 LEU 14 HB1 LEU 14 15.719 4.131 -4.704
107 HG LEU 14 HG LEU 14 16.654 6.058 -5.901
108 HD11 LEU 14 HD11 LEU 14 13.746 6.875 -6.119
109 HD12 LEU 14 HD12 LEU 14 14.880 6.577 -7.430
110 HD13 LEU 14 HD13 LEU 14 15.087 7.985 -6.397
111 HD21 LEU 14 HD21 LEU 14 14.706 6.952 -3.752
112 HD22 LEU 14 HD22 LEU 14 16.187 7.783 -4.233
113 HD23 LEU 14 HD23 LEU 14 16.275 6.209 -3.441
114 H ALA 15 HN ALA 15 17.275 3.249 -6.417
115 HA ALA 15 HA ALA 15 18.545 4.964 -8.246
116 HB1 ALA 15 HB1 ALA 15 19.365 2.275 -7.139
117 HB2 ALA 15 HB2 ALA 15 19.873 3.869 -6.578
118 HB3 ALA 15 HB3 ALA 15 20.415 3.272 -8.147
119 H LEU 16 HN LEU 16 16.908 1.904 -8.655
120 HA LEU 16 HA LEU 16 17.965 1.185 -11.160
121 HB2 LEU 16 HB2 LEU 16 15.579 0.448 -9.566
122 HB3 LEU 16 HB1 LEU 16 15.354 0.230 -11.294
123 HG LEU 16 HG LEU 16 17.510 -1.096 -11.317
124 HD11 LEU 16 HD11 LEU 16 18.201 -0.034 -9.031
125 HD12 LEU 16 HD12 LEU 16 18.581 -1.730 -9.326
126 HD13 LEU 16 HD13 LEU 16 17.199 -1.301 -8.325
127 HD21 LEU 16 HD21 LEU 16 16.449 -3.102 -10.205
128 HD22 LEU 16 HD22 LEU 16 15.378 -2.258 -11.324
129 HD23 LEU 16 HD23 LEU 16 15.195 -2.027 -9.585
130 H TRP 17 HN TRP 17 14.954 2.998 -10.439
131 HA TRP 17 HA TRP 17 14.621 3.646 -13.219
132 HB2 TRP 17 HB2 TRP 17 12.551 3.573 -12.189
133 HB3 TRP 17 HB1 TRP 17 13.193 4.150 -10.654
134 HD1 TRP 17 HD1 TRP 17 11.586 5.371 -13.869
135 HE1 TRP 17 HE1 TRP 17 11.180 7.925 -13.646
136 HE3 TRP 17 HE3 TRP 17 14.151 6.246 -9.617
137 HZ2 TRP 17 HZ2 TRP 17 11.889 10.051 -11.851
138 HZ3 TRP 17 HZ3 TRP 17 14.301 8.481 -8.650
139 HH2 TRP 17 HH2 TRP 17 13.175 10.421 -9.745
140 H TRP 18 HN TRP 18 15.728 5.573 -10.357
141 HA TRP 18 HA TRP 18 16.029 8.020 -11.621
142 HB2 TRP 18 HB2 TRP 18 16.403 7.668 -9.222
143 HB3 TRP 18 HB1 TRP 18 17.832 6.742 -9.585
144 HD1 TRP 18 HD1 TRP 18 16.619 10.142 -10.841
145 HE1 TRP 18 HE1 TRP 18 18.556 11.836 -10.592
146 HE3 TRP 18 HE3 TRP 18 20.088 7.113 -8.733
147 HZ2 TRP 18 HZ2 TRP 18 21.255 11.863 -9.605
148 HZ3 TRP 18 HZ3 TRP 18 22.326 7.967 -8.141
149 HH2 TRP 18 HH2 TRP 18 22.924 10.340 -8.573
150 H ALA 19 HN ALA 19 18.457 5.475 -11.233
151 HA ALA 19 HA ALA 19 20.285 6.723 -13.080
152 HB1 ALA 19 HB1 ALA 19 20.907 5.283 -11.055
153 HB2 ALA 19 HB2 ALA 19 21.779 4.970 -12.556
154 HB3 ALA 19 HB3 ALA 19 20.473 3.896 -12.055
155 HA1 ETA 20 HA1 ETA 20 16.535 3.953 -15.310
156 HA2 ETA 20 HA2 ETA 20 18.132 3.281 -15.630
157 HN2 ETA 20 HN ETA 20 17.473 5.146 -13.571
158 HB1 ETA 20 HB1 ETA 20 17.099 4.698 -17.491
159 HB2 ETA 20 HB2 ETA 20 18.727 5.145 -17.000
160 HO ETA 20 HG ETA 20 17.358 6.515 -15.390
Start of MODEL 2
1 H1 ACE 0 HA2 ACE 0 14.342 -9.396 12.725
2 H2 ACE 0 HA3 ACE 0 15.381 -7.972 12.663
3 H3 ACE 0 HA1 ACE 0 14.204 -8.263 11.381
4 H GLY 1 HN GLY 1 13.495 -6.015 11.946
5 HA2 GLY 1 HA2 GLY 1 11.319 -6.089 13.863
6 HA3 GLY 1 HA1 GLY 1 12.573 -4.887 14.131
7 H TRP 2 HN TRP 2 11.747 -3.084 13.610
8 HA TRP 2 HA TRP 2 9.827 -2.664 11.552
9 HB2 TRP 2 HB2 TRP 2 9.476 -0.844 12.904
10 HB3 TRP 2 HB1 TRP 2 10.980 -1.165 13.743
11 HD1 TRP 2 HD1 TRP 2 12.891 0.404 13.345
12 HE1 TRP 2 HE1 TRP 2 13.306 2.471 11.828
13 HE3 TRP 2 HE3 TRP 2 8.763 0.137 10.392
14 HZ2 TRP 2 HZ2 TRP 2 12.025 3.805 9.647
15 HZ3 TRP 2 HZ3 TRP 2 8.371 1.807 8.603
16 HH2 TRP 2 HH2 TRP 2 9.996 3.641 8.226
17 H TRP 3 HN TRP 3 13.327 -2.534 11.701
18 HA TRP 3 HA TRP 3 13.947 -0.955 9.514
19 HB2 TRP 3 HB2 TRP 3 16.070 -1.935 9.604
20 HB3 TRP 3 HB1 TRP 3 15.468 -2.180 11.234
21 HD1 TRP 3 HD1 TRP 3 14.960 -4.597 11.983
22 HE1 TRP 3 HE1 TRP 3 15.502 -6.918 10.982
23 HE3 TRP 3 HE3 TRP 3 16.349 -3.211 7.302
24 HZ2 TRP 3 HZ2 TRP 3 16.408 -8.022 8.512
25 HZ3 TRP 3 HZ3 TRP 3 17.049 -4.895 5.636
26 HH2 TRP 3 HH2 TRP 3 17.081 -7.297 6.231
27 H LEU 4 HN LEU 4 11.923 -3.624 9.369
28 HA LEU 4 HA LEU 4 12.820 -4.800 6.976
29 HB2 LEU 4 HB2 LEU 4 10.131 -4.598 8.310
30 HB3 LEU 4 HB1 LEU 4 10.243 -5.286 6.691
31 HG LEU 4 HG LEU 4 12.100 -6.293 8.858
32 HD11 LEU 4 HD11 LEU 4 9.830 -6.407 9.818
33 HD12 LEU 4 HD12 LEU 4 10.456 -8.014 9.455
34 HD13 LEU 4 HD13 LEU 4 9.269 -7.268 8.385
35 HD21 LEU 4 HD21 LEU 4 12.482 -7.057 6.543
36 HD22 LEU 4 HD22 LEU 4 10.800 -7.563 6.418
37 HD23 LEU 4 HD23 LEU 4 11.889 -8.395 7.525
38 H ALA 5 HN ALA 5 10.555 -2.098 7.534
39 HA ALA 5 HA ALA 5 9.737 -1.476 5.033
40 HB1 ALA 5 HB1 ALA 5 9.549 0.814 5.739
41 HB2 ALA 5 HB2 ALA 5 10.768 0.576 6.994
42 HB3 ALA 5 HB3 ALA 5 9.200 -0.222 7.123
43 H LEU 6 HN LEU 6 13.047 -1.367 6.108
44 HA LEU 6 HA LEU 6 13.915 0.470 4.073
45 HB2 LEU 6 HB2 LEU 6 15.331 -1.289 6.025
46 HB3 LEU 6 HB1 LEU 6 16.219 -0.441 4.789
47 HG LEU 6 HG LEU 6 14.305 1.049 6.557
48 HD11 LEU 6 HD11 LEU 6 15.692 -0.071 8.162
49 HD12 LEU 6 HD12 LEU 6 16.310 1.574 8.015
50 HD13 LEU 6 HD13 LEU 6 17.144 0.243 7.210
51 HD21 LEU 6 HD21 LEU 6 15.206 2.303 4.668
52 HD22 LEU 6 HD22 LEU 6 16.844 1.788 5.062
53 HD23 LEU 6 HD23 LEU 6 15.983 2.884 6.137
54 H ALA 7 HN ALA 7 13.878 -3.027 4.507
55 HA ALA 7 HA ALA 7 15.193 -3.526 1.980
56 HB1 ALA 7 HB1 ALA 7 14.737 -5.906 2.517
57 HB2 ALA 7 HB2 ALA 7 13.853 -5.383 3.952
58 HB3 ALA 7 HB3 ALA 7 15.582 -5.062 3.814
59 H LEU 8 HN LEU 8 12.078 -2.715 2.907
60 HA LEU 8 HA LEU 8 10.740 -4.184 0.741
61 HB2 LEU 8 HB2 LEU 8 9.606 -2.424 2.902
62 HB3 LEU 8 HB1 LEU 8 8.674 -3.391 1.761
63 HG LEU 8 HG LEU 8 10.667 -4.525 3.749
64 HD11 LEU 8 HD11 LEU 8 7.642 -4.354 3.819
65 HD12 LEU 8 HD12 LEU 8 8.775 -3.617 4.954
66 HD13 LEU 8 HD13 LEU 8 8.597 -5.371 4.899
67 HD21 LEU 8 HD21 LEU 8 8.836 -5.727 1.659
68 HD22 LEU 8 HD22 LEU 8 9.244 -6.657 3.100
69 HD23 LEU 8 HD23 LEU 8 10.519 -6.117 2.016
70 H ALA 9 HN ALA 9 11.948 -1.057 1.565
71 HA ALA 9 HA ALA 9 10.996 0.004 -1.003
72 HB1 ALA 9 HB1 ALA 9 10.300 2.115 0.068
73 HB2 ALA 9 HB2 ALA 9 10.603 1.401 1.652
74 HB3 ALA 9 HB3 ALA 9 9.328 0.751 0.620
75 HA PRO 10 HA PRO 10 15.381 1.170 0.379
76 HB2 PRO 10 HB2 PRO 10 16.826 -0.463 -1.206
77 HB3 PRO 10 HB1 PRO 10 16.184 -1.021 0.352
78 HG2 PRO 10 HG2 PRO 10 15.052 -1.421 -2.392
79 HG3 PRO 10 HG1 PRO 10 15.304 -2.619 -1.100
80 HD2 PRO 10 HD2 PRO 10 12.879 -1.505 -1.502
81 HD3 PRO 10 HD1 PRO 10 13.470 -1.893 0.133
82 H ALA 11 HN ALA 11 16.772 2.537 -0.870
83 HA ALA 11 HA ALA 11 15.571 3.939 -2.991
84 HB1 ALA 11 HB1 ALA 11 17.893 4.884 -3.344
85 HB2 ALA 11 HB2 ALA 11 18.440 3.806 -2.059
86 HB3 ALA 11 HB3 ALA 11 17.246 5.058 -1.711
87 H LEU 12 HN LEU 12 16.729 0.853 -3.083
88 HA LEU 12 HA LEU 12 18.237 0.787 -5.461
89 HB2 LEU 12 HB2 LEU 12 16.382 -1.313 -4.326
90 HB3 LEU 12 HB1 LEU 12 17.564 -1.595 -5.599
91 HG LEU 12 HG LEU 12 18.409 -0.434 -2.937
92 HD11 LEU 12 HD11 LEU 12 18.283 -3.383 -3.636
93 HD12 LEU 12 HD12 LEU 12 17.190 -2.568 -2.518
94 HD13 LEU 12 HD13 LEU 12 18.909 -2.687 -2.142
95 HD21 LEU 12 HD21 LEU 12 19.812 -1.973 -5.156
96 HD22 LEU 12 HD22 LEU 12 20.547 -1.653 -3.591
97 HD23 LEU 12 HD23 LEU 12 20.117 -0.313 -4.644
98 H ALA 13 HN ALA 13 14.756 -0.025 -5.065
99 HA ALA 13 HA ALA 13 14.126 -0.215 -7.750
100 HB1 ALA 13 HB1 ALA 13 11.821 0.201 -7.116
101 HB2 ALA 13 HB2 ALA 13 12.341 0.916 -5.590
102 HB3 ALA 13 HB3 ALA 13 12.594 -0.804 -5.890
103 H LEU 14 HN LEU 14 14.825 2.597 -5.885
104 HA LEU 14 HA LEU 14 13.638 4.465 -7.746
105 HB2 LEU 14 HB2 LEU 14 13.646 5.252 -5.520
106 HB3 LEU 14 HB1 LEU 14 15.277 4.685 -5.224
107 HG LEU 14 HG LEU 14 16.186 6.472 -6.655
108 HD11 LEU 14 HD11 LEU 14 13.270 7.220 -7.023
109 HD12 LEU 14 HD12 LEU 14 14.361 6.634 -8.274
110 HD13 LEU 14 HD13 LEU 14 14.636 8.209 -7.538
111 HD21 LEU 14 HD21 LEU 14 15.729 8.304 -5.197
112 HD22 LEU 14 HD22 LEU 14 15.565 6.854 -4.207
113 HD23 LEU 14 HD23 LEU 14 14.126 7.683 -4.800
114 H ALA 15 HN ALA 15 16.950 3.622 -6.742
115 HA ALA 15 HA ALA 15 18.226 5.157 -8.728
116 HB1 ALA 15 HB1 ALA 15 19.270 4.108 -6.648
117 HB2 ALA 15 HB2 ALA 15 20.219 4.011 -8.131
118 HB3 ALA 15 HB3 ALA 15 19.323 2.601 -7.563
119 H LEU 16 HN LEU 16 16.775 1.981 -8.758
120 HA LEU 16 HA LEU 16 17.988 0.963 -11.079
121 HB2 LEU 16 HB2 LEU 16 15.549 0.354 -9.509
122 HB3 LEU 16 HB1 LEU 16 15.450 -0.152 -11.188
123 HG LEU 16 HG LEU 16 17.657 -1.342 -10.870
124 HD11 LEU 16 HD11 LEU 16 18.156 0.117 -8.756
125 HD12 LEU 16 HD12 LEU 16 18.637 -1.577 -8.751
126 HD13 LEU 16 HD13 LEU 16 17.177 -1.078 -7.904
127 HD21 LEU 16 HD21 LEU 16 15.622 -2.637 -10.802
128 HD22 LEU 16 HD22 LEU 16 15.261 -2.092 -9.165
129 HD23 LEU 16 HD23 LEU 16 16.617 -3.182 -9.451
130 H TRP 17 HN TRP 17 14.862 2.697 -10.763
131 HA TRP 17 HA TRP 17 14.634 2.913 -13.622
132 HB2 TRP 17 HB2 TRP 17 12.519 2.855 -12.687
133 HB3 TRP 17 HB1 TRP 17 13.046 3.678 -11.222
134 HD1 TRP 17 HD1 TRP 17 11.542 4.334 -14.644
135 HE1 TRP 17 HE1 TRP 17 10.983 6.862 -14.805
136 HE3 TRP 17 HE3 TRP 17 13.834 5.959 -10.451
137 HZ2 TRP 17 HZ2 TRP 17 11.477 9.262 -13.304
138 HZ3 TRP 17 HZ3 TRP 17 13.809 8.309 -9.811
139 HH2 TRP 17 HH2 TRP 17 12.632 10.002 -11.220
140 H TRP 18 HN TRP 18 15.469 5.281 -11.024
141 HA TRP 18 HA TRP 18 15.698 7.556 -12.591
142 HB2 TRP 18 HB2 TRP 18 15.980 7.539 -10.151
143 HB3 TRP 18 HB1 TRP 18 17.480 6.676 -10.337
144 HD1 TRP 18 HD1 TRP 18 16.081 9.802 -12.029
145 HE1 TRP 18 HE1 TRP 18 17.902 11.640 -11.965
146 HE3 TRP 18 HE3 TRP 18 19.691 7.280 -9.537
147 HZ2 TRP 18 HZ2 TRP 18 20.580 11.958 -10.956
148 HZ3 TRP 18 HZ3 TRP 18 21.857 8.334 -9.026
149 HH2 TRP 18 HH2 TRP 18 22.319 10.673 -9.729
150 H ALA 19 HN ALA 19 18.223 5.212 -11.794
151 HA ALA 19 HA ALA 19 20.111 6.327 -13.641
152 HB1 ALA 19 HB1 ALA 19 20.260 3.603 -12.365
153 HB2 ALA 19 HB2 ALA 19 20.670 5.084 -11.497
154 HB3 ALA 19 HB3 ALA 19 21.592 4.614 -12.926
155 HA1 ETA 20 HA1 ETA 20 17.668 1.836 -15.245
156 HA2 ETA 20 HA2 ETA 20 18.972 2.543 -16.197
157 HN2 ETA 20 HN ETA 20 18.086 3.418 -13.590
158 HB1 ETA 20 HB1 ETA 20 16.169 3.671 -15.890
159 HB2 ETA 20 HB2 ETA 20 16.793 2.845 -17.312
160 HO ETA 20 HG ETA 20 18.178 5.050 -16.287
Start of MODEL 3
1 H1 ACE 0 HA2 ACE 0 14.471 -7.749 11.951
2 H2 ACE 0 HA3 ACE 0 14.738 -8.617 13.463
3 H3 ACE 0 HA1 ACE 0 15.723 -7.208 13.071
4 H GLY 1 HN GLY 1 14.055 -5.256 12.383
5 HA2 GLY 1 HA2 GLY 1 11.882 -5.071 14.336
6 HA3 GLY 1 HA1 GLY 1 13.161 -3.868 14.351
7 H TRP 2 HN TRP 2 12.286 -2.152 13.647
8 HA TRP 2 HA TRP 2 10.230 -1.977 11.712
9 HB2 TRP 2 HB2 TRP 2 10.080 0.042 12.787
10 HB3 TRP 2 HB1 TRP 2 11.670 -0.189 13.480
11 HD1 TRP 2 HD1 TRP 2 13.587 1.120 12.519
12 HE1 TRP 2 HE1 TRP 2 13.833 2.920 10.660
13 HE3 TRP 2 HE3 TRP 2 9.003 0.745 10.361
14 HZ2 TRP 2 HZ2 TRP 2 12.258 4.024 8.544
15 HZ3 TRP 2 HZ3 TRP 2 8.387 2.172 8.431
16 HH2 TRP 2 HH2 TRP 2 10.010 3.812 7.519
17 H TRP 3 HN TRP 3 13.764 -1.919 11.446
18 HA TRP 3 HA TRP 3 14.103 -0.781 8.966
19 HB2 TRP 3 HB2 TRP 3 16.239 -1.744 9.005
20 HB3 TRP 3 HB1 TRP 3 15.815 -1.680 10.705
21 HD1 TRP 3 HD1 TRP 3 15.359 -3.921 11.922
22 HE1 TRP 3 HE1 TRP 3 15.829 -6.391 11.318
23 HE3 TRP 3 HE3 TRP 3 16.363 -3.415 6.970
24 HZ2 TRP 3 HZ2 TRP 3 16.536 -7.928 9.020
25 HZ3 TRP 3 HZ3 TRP 3 16.931 -5.379 5.584
26 HH2 TRP 3 HH2 TRP 3 17.018 -7.633 6.603
27 H LEU 4 HN LEU 4 12.011 -3.295 9.449
28 HA LEU 4 HA LEU 4 12.681 -4.946 7.242
29 HB2 LEU 4 HB2 LEU 4 10.145 -4.527 8.792
30 HB3 LEU 4 HB1 LEU 4 10.295 -5.727 7.512
31 HG LEU 4 HG LEU 4 12.233 -5.632 9.841
32 HD11 LEU 4 HD11 LEU 4 9.910 -5.878 10.691
33 HD12 LEU 4 HD12 LEU 4 10.893 -7.316 10.965
34 HD13 LEU 4 HD13 LEU 4 9.710 -7.292 9.658
35 HD21 LEU 4 HD21 LEU 4 12.306 -8.166 9.215
36 HD22 LEU 4 HD22 LEU 4 13.099 -7.045 8.122
37 HD23 LEU 4 HD23 LEU 4 11.510 -7.686 7.717
38 H ALA 5 HN ALA 5 11.142 -1.878 7.538
39 HA ALA 5 HA ALA 5 9.610 -1.985 5.135
40 HB1 ALA 5 HB1 ALA 5 9.251 0.353 5.475
41 HB2 ALA 5 HB2 ALA 5 10.669 0.486 6.518
42 HB3 ALA 5 HB3 ALA 5 9.244 -0.395 7.072
43 H LEU 6 HN LEU 6 12.937 -1.691 5.785
44 HA LEU 6 HA LEU 6 13.633 -0.090 3.504
45 HB2 LEU 6 HB2 LEU 6 15.122 -1.642 5.551
46 HB3 LEU 6 HB1 LEU 6 15.985 -1.065 4.147
47 HG LEU 6 HG LEU 6 14.297 0.818 5.775
48 HD11 LEU 6 HD11 LEU 6 15.730 -0.073 7.452
49 HD12 LEU 6 HD12 LEU 6 16.498 1.426 6.943
50 HD13 LEU 6 HD13 LEU 6 17.106 -0.124 6.356
51 HD21 LEU 6 HD21 LEU 6 16.031 2.445 4.934
52 HD22 LEU 6 HD22 LEU 6 15.107 1.688 3.643
53 HD23 LEU 6 HD23 LEU 6 16.740 1.133 3.998
54 H ALA 7 HN ALA 7 13.150 -3.449 4.169
55 HA ALA 7 HA ALA 7 14.514 -4.363 1.772
56 HB1 ALA 7 HB1 ALA 7 12.795 -5.843 3.770
57 HB2 ALA 7 HB2 ALA 7 14.557 -5.761 3.777
58 HB3 ALA 7 HB3 ALA 7 13.718 -6.587 2.465
59 H LEU 8 HN LEU 8 11.403 -3.265 2.672
60 HA LEU 8 HA LEU 8 10.016 -4.587 0.461
61 HB2 LEU 8 HB2 LEU 8 9.000 -2.666 2.539
62 HB3 LEU 8 HB1 LEU 8 8.014 -3.603 1.418
63 HG LEU 8 HG LEU 8 9.870 -4.810 3.495
64 HD11 LEU 8 HD11 LEU 8 8.071 -3.744 4.668
65 HD12 LEU 8 HD12 LEU 8 7.663 -5.457 4.583
66 HD13 LEU 8 HD13 LEU 8 6.882 -4.310 3.494
67 HD21 LEU 8 HD21 LEU 8 9.604 -6.443 1.799
68 HD22 LEU 8 HD22 LEU 8 7.950 -5.947 1.445
69 HD23 LEU 8 HD23 LEU 8 8.305 -6.847 2.918
70 H ALA 9 HN ALA 9 11.550 -1.596 1.185
71 HA ALA 9 HA ALA 9 10.780 -0.532 -1.423
72 HB1 ALA 9 HB1 ALA 9 10.009 1.586 -0.560
73 HB2 ALA 9 HB2 ALA 9 10.365 1.087 1.094
74 HB3 ALA 9 HB3 ALA 9 9.065 0.303 0.198
75 HA PRO 10 HA PRO 10 15.129 0.356 0.174
76 HB2 PRO 10 HB2 PRO 10 16.508 -1.212 -1.568
77 HB3 PRO 10 HB1 PRO 10 15.871 -1.836 -0.037
78 HG2 PRO 10 HG2 PRO 10 14.722 -2.071 -2.789
79 HG3 PRO 10 HG1 PRO 10 14.861 -3.308 -1.520
80 HD2 PRO 10 HD2 PRO 10 12.531 -1.990 -1.977
81 HD3 PRO 10 HD1 PRO 10 13.008 -2.525 -0.348
82 H ALA 11 HN ALA 11 16.606 1.779 -0.863
83 HA ALA 11 HA ALA 11 15.570 3.441 -2.876
84 HB1 ALA 11 HB1 ALA 11 17.248 4.330 -1.429
85 HB2 ALA 11 HB2 ALA 11 17.942 4.296 -3.051
86 HB3 ALA 11 HB3 ALA 11 18.392 3.062 -1.872
87 H LEU 12 HN LEU 12 16.705 0.334 -3.191
88 HA LEU 12 HA LEU 12 18.240 0.438 -5.549
89 HB2 LEU 12 HB2 LEU 12 16.336 -1.738 -4.660
90 HB3 LEU 12 HB1 LEU 12 17.600 -1.914 -5.874
91 HG LEU 12 HG LEU 12 18.287 -0.959 -3.088
92 HD11 LEU 12 HD11 LEU 12 18.170 -3.856 -3.978
93 HD12 LEU 12 HD12 LEU 12 17.023 -3.096 -2.875
94 HD13 LEU 12 HD13 LEU 12 18.716 -3.261 -2.409
95 HD21 LEU 12 HD21 LEU 12 19.801 -2.409 -5.295
96 HD22 LEU 12 HD22 LEU 12 20.453 -2.118 -3.686
97 HD23 LEU 12 HD23 LEU 12 20.068 -0.758 -4.735
98 H ALA 13 HN ALA 13 14.742 -0.357 -5.277
99 HA ALA 13 HA ALA 13 14.180 -0.337 -7.994
100 HB1 ALA 13 HB1 ALA 13 12.536 -1.100 -6.380
101 HB2 ALA 13 HB2 ALA 13 11.840 0.207 -7.339
102 HB3 ALA 13 HB3 ALA 13 12.407 0.522 -5.699
103 H LEU 14 HN LEU 14 14.799 2.313 -5.867
104 HA LEU 14 HA LEU 14 13.694 4.325 -7.617
105 HB2 LEU 14 HB2 LEU 14 13.641 4.912 -5.327
106 HB3 LEU 14 HB1 LEU 14 15.278 4.349 -5.049
107 HG LEU 14 HG LEU 14 16.181 6.251 -6.312
108 HD11 LEU 14 HD11 LEU 14 14.429 6.521 -7.971
109 HD12 LEU 14 HD12 LEU 14 14.593 8.029 -7.082
110 HD13 LEU 14 HD13 LEU 14 13.256 6.935 -6.726
111 HD21 LEU 14 HD21 LEU 14 14.047 7.273 -4.424
112 HD22 LEU 14 HD22 LEU 14 15.635 7.972 -4.743
113 HD23 LEU 14 HD23 LEU 14 15.502 6.450 -3.863
114 H ALA 15 HN ALA 15 16.994 3.428 -6.579
115 HA ALA 15 HA ALA 15 18.317 5.099 -8.413
116 HB1 ALA 15 HB1 ALA 15 19.335 3.919 -6.410
117 HB2 ALA 15 HB2 ALA 15 20.300 3.875 -7.886
118 HB3 ALA 15 HB3 ALA 15 19.370 2.458 -7.397
119 H LEU 16 HN LEU 16 16.899 1.916 -8.733
120 HA LEU 16 HA LEU 16 18.172 1.092 -11.097
121 HB2 LEU 16 HB2 LEU 16 15.691 0.357 -9.646
122 HB3 LEU 16 HB1 LEU 16 15.634 -0.006 -11.363
123 HG LEU 16 HG LEU 16 17.835 -1.221 -11.093
124 HD11 LEU 16 HD11 LEU 16 18.276 0.056 -8.849
125 HD12 LEU 16 HD12 LEU 16 18.768 -1.629 -8.983
126 HD13 LEU 16 HD13 LEU 16 17.287 -1.214 -8.128
127 HD21 LEU 16 HD21 LEU 16 16.788 -3.213 -10.132
128 HD22 LEU 16 HD22 LEU 16 15.593 -2.346 -11.098
129 HD23 LEU 16 HD23 LEU 16 15.564 -2.221 -9.338
130 H TRP 17 HN TRP 17 15.037 2.796 -10.733
131 HA TRP 17 HA TRP 17 14.893 3.237 -13.576
132 HB2 TRP 17 HB2 TRP 17 12.749 3.109 -12.719
133 HB3 TRP 17 HB1 TRP 17 13.225 3.817 -11.178
134 HD1 TRP 17 HD1 TRP 17 11.836 4.742 -14.590
135 HE1 TRP 17 HE1 TRP 17 11.281 7.276 -14.570
136 HE3 TRP 17 HE3 TRP 17 13.982 6.024 -10.209
137 HZ2 TRP 17 HZ2 TRP 17 11.721 9.548 -12.868
138 HZ3 TRP 17 HZ3 TRP 17 13.933 8.320 -9.382
139 HH2 TRP 17 HH2 TRP 17 12.803 10.120 -10.693
140 H TRP 18 HN TRP 18 15.648 5.408 -10.774
141 HA TRP 18 HA TRP 18 15.920 7.786 -12.166
142 HB2 TRP 18 HB2 TRP 18 16.110 7.570 -9.719
143 HB3 TRP 18 HB1 TRP 18 17.627 6.741 -9.924
144 HD1 TRP 18 HD1 TRP 18 16.261 9.979 -11.423
145 HE1 TRP 18 HE1 TRP 18 18.044 11.827 -11.123
146 HE3 TRP 18 HE3 TRP 18 19.786 7.316 -8.954
147 HZ2 TRP 18 HZ2 TRP 18 20.660 12.103 -9.960
148 HZ3 TRP 18 HZ3 TRP 18 21.907 8.359 -8.255
149 HH2 TRP 18 HH2 TRP 18 22.361 10.752 -8.750
150 H ALA 19 HN ALA 19 18.435 5.411 -11.428
151 HA ALA 19 HA ALA 19 20.364 6.654 -13.160
152 HB1 ALA 19 HB1 ALA 19 21.859 4.955 -12.452
153 HB2 ALA 19 HB2 ALA 19 20.539 3.878 -11.996
154 HB3 ALA 19 HB3 ALA 19 20.867 5.326 -11.042
155 HA1 ETA 20 HA1 ETA 20 16.948 3.628 -15.591
156 HA2 ETA 20 HA2 ETA 20 18.619 3.114 -15.824
157 HN2 ETA 20 HN ETA 20 17.664 4.993 -13.863
158 HB1 ETA 20 HB1 ETA 20 18.058 4.268 -17.815
159 HB2 ETA 20 HB2 ETA 20 18.977 5.442 -16.880
160 HO ETA 20 HG ETA 20 17.259 6.609 -16.537
Start of MODEL 4
1 H1 ACE 0 HA2 ACE 0 15.202 -8.001 13.733
2 H2 ACE 0 HA3 ACE 0 15.939 -6.615 12.928
3 H3 ACE 0 HA1 ACE 0 14.610 -7.480 12.156
4 H GLY 1 HN GLY 1 14.046 -4.947 12.238
5 HA2 GLY 1 HA2 GLY 1 11.988 -4.674 14.248
6 HA3 GLY 1 HA1 GLY 1 13.259 -3.458 14.268
7 H TRP 2 HN TRP 2 12.377 -1.767 13.532
8 HA TRP 2 HA TRP 2 10.324 -1.572 11.630
9 HB2 TRP 2 HB2 TRP 2 10.321 0.541 12.516
10 HB3 TRP 2 HB1 TRP 2 11.863 0.212 13.280
11 HD1 TRP 2 HD1 TRP 2 13.891 1.379 12.375
12 HE1 TRP 2 HE1 TRP 2 14.351 3.020 10.415
13 HE3 TRP 2 HE3 TRP 2 9.434 1.085 9.951
14 HZ2 TRP 2 HZ2 TRP 2 12.975 4.047 8.129
15 HZ3 TRP 2 HZ3 TRP 2 9.021 2.394 7.889
16 HH2 TRP 2 HH2 TRP 2 10.785 3.875 6.974
17 H TRP 3 HN TRP 3 13.837 -1.698 11.235
18 HA TRP 3 HA TRP 3 14.150 -0.728 8.683
19 HB2 TRP 3 HB2 TRP 3 16.250 -1.736 8.741
20 HB3 TRP 3 HB1 TRP 3 15.850 -1.695 10.448
21 HD1 TRP 3 HD1 TRP 3 15.418 -3.936 11.639
22 HE1 TRP 3 HE1 TRP 3 15.791 -6.409 10.978
23 HE3 TRP 3 HE3 TRP 3 16.209 -3.383 6.650
24 HZ2 TRP 3 HZ2 TRP 3 16.349 -7.929 8.631
25 HZ3 TRP 3 HZ3 TRP 3 16.657 -5.340 5.214
26 HH2 TRP 3 HH2 TRP 3 16.729 -7.613 6.197
27 H LEU 4 HN LEU 4 11.916 -3.093 9.350
28 HA LEU 4 HA LEU 4 12.419 -4.833 7.143
29 HB2 LEU 4 HB2 LEU 4 10.110 -4.349 9.000
30 HB3 LEU 4 HB1 LEU 4 9.902 -5.391 7.595
31 HG LEU 4 HG LEU 4 12.250 -5.857 9.450
32 HD11 LEU 4 HD11 LEU 4 9.493 -7.038 9.855
33 HD12 LEU 4 HD12 LEU 4 10.187 -5.767 10.861
34 HD13 LEU 4 HD13 LEU 4 10.936 -7.362 10.813
35 HD21 LEU 4 HD21 LEU 4 10.543 -7.640 7.671
36 HD22 LEU 4 HD22 LEU 4 11.848 -8.221 8.700
37 HD23 LEU 4 HD23 LEU 4 12.205 -7.137 7.361
38 H ALA 5 HN ALA 5 11.012 -1.725 7.573
39 HA ALA 5 HA ALA 5 9.288 -1.683 5.319
40 HB1 ALA 5 HB1 ALA 5 9.286 0.734 5.617
41 HB2 ALA 5 HB2 ALA 5 10.702 0.635 6.667
42 HB3 ALA 5 HB3 ALA 5 9.163 -0.052 7.191
43 H LEU 6 HN LEU 6 12.667 -1.657 5.653
44 HA LEU 6 HA LEU 6 13.261 -0.246 3.196
45 HB2 LEU 6 HB2 LEU 6 14.865 -1.687 5.247
46 HB3 LEU 6 HB1 LEU 6 15.608 -1.083 3.784
47 HG LEU 6 HG LEU 6 13.971 0.735 5.532
48 HD11 LEU 6 HD11 LEU 6 16.932 0.183 5.809
49 HD12 LEU 6 HD12 LEU 6 15.694 -0.317 6.959
50 HD13 LEU 6 HD13 LEU 6 16.018 1.397 6.704
51 HD21 LEU 6 HD21 LEU 6 16.208 1.136 3.515
52 HD22 LEU 6 HD22 LEU 6 15.617 2.420 4.563
53 HD23 LEU 6 HD23 LEU 6 14.539 1.689 3.382
54 H ALA 7 HN ALA 7 12.629 -3.432 4.254
55 HA ALA 7 HA ALA 7 13.970 -4.771 2.075
56 HB1 ALA 7 HB1 ALA 7 11.930 -5.827 4.046
57 HB2 ALA 7 HB2 ALA 7 13.677 -5.858 4.278
58 HB3 ALA 7 HB3 ALA 7 12.944 -6.797 2.978
59 H LEU 8 HN LEU 8 11.039 -3.144 2.531
60 HA LEU 8 HA LEU 8 9.455 -4.625 0.646
61 HB2 LEU 8 HB2 LEU 8 8.936 -1.821 1.604
62 HB3 LEU 8 HB1 LEU 8 7.765 -3.014 1.035
63 HG LEU 8 HG LEU 8 9.428 -3.222 3.559
64 HD11 LEU 8 HD11 LEU 8 6.437 -2.876 3.202
65 HD12 LEU 8 HD12 LEU 8 7.549 -1.572 3.619
66 HD13 LEU 8 HD13 LEU 8 7.318 -2.922 4.729
67 HD21 LEU 8 HD21 LEU 8 7.491 -5.106 2.191
68 HD22 LEU 8 HD22 LEU 8 7.772 -5.195 3.930
69 HD23 LEU 8 HD23 LEU 8 9.106 -5.451 2.809
70 H ALA 9 HN ALA 9 11.667 -1.903 0.493
71 HA ALA 9 HA ALA 9 11.704 -2.035 -2.357
72 HB1 ALA 9 HB1 ALA 9 10.885 0.330 -2.710
73 HB2 ALA 9 HB2 ALA 9 10.236 0.259 -1.072
74 HB3 ALA 9 HB3 ALA 9 9.641 -0.853 -2.305
75 HA PRO 10 HA PRO 10 15.443 -0.370 0.041
76 HB2 PRO 10 HB2 PRO 10 16.545 -1.988 -2.239
77 HB3 PRO 10 HB1 PRO 10 17.159 -1.831 -0.576
78 HG2 PRO 10 HG2 PRO 10 15.829 -4.000 -1.314
79 HG3 PRO 10 HG1 PRO 10 15.568 -3.282 0.289
80 HD2 PRO 10 HD2 PRO 10 13.771 -3.219 -2.096
81 HD3 PRO 10 HD1 PRO 10 13.348 -3.168 -0.368
82 H ALA 11 HN ALA 11 17.081 1.144 -0.867
83 HA ALA 11 HA ALA 11 16.022 3.018 -2.652
84 HB1 ALA 11 HB1 ALA 11 18.421 3.811 -2.878
85 HB2 ALA 11 HB2 ALA 11 18.878 2.453 -1.847
86 HB3 ALA 11 HB3 ALA 11 17.809 3.711 -1.227
87 H LEU 12 HN LEU 12 17.171 -0.042 -3.269
88 HA LEU 12 HA LEU 12 18.515 0.216 -5.724
89 HB2 LEU 12 HB2 LEU 12 16.654 -2.005 -4.854
90 HB3 LEU 12 HB1 LEU 12 17.829 -2.108 -6.161
91 HG LEU 12 HG LEU 12 18.574 -1.468 -3.293
92 HD11 LEU 12 HD11 LEU 12 17.537 -3.722 -3.502
93 HD12 LEU 12 HD12 LEU 12 19.248 -3.807 -3.080
94 HD13 LEU 12 HD13 LEU 12 18.732 -4.134 -4.733
95 HD21 LEU 12 HD21 LEU 12 20.837 -2.394 -4.242
96 HD22 LEU 12 HD22 LEU 12 20.358 -0.763 -4.690
97 HD23 LEU 12 HD23 LEU 12 20.125 -2.088 -5.826
98 H ALA 13 HN ALA 13 15.055 -0.582 -5.235
99 HA ALA 13 HA ALA 13 14.253 -0.393 -7.875
100 HB1 ALA 13 HB1 ALA 13 12.811 -1.172 -6.008
101 HB2 ALA 13 HB2 ALA 13 12.005 0.015 -7.034
102 HB3 ALA 13 HB3 ALA 13 12.653 0.498 -5.466
103 H LEU 14 HN LEU 14 14.952 2.154 -5.597
104 HA LEU 14 HA LEU 14 13.824 4.256 -7.188
105 HB2 LEU 14 HB2 LEU 14 13.917 4.748 -4.893
106 HB3 LEU 14 HB1 LEU 14 15.537 4.100 -4.717
107 HG LEU 14 HG LEU 14 16.470 6.035 -5.913
108 HD11 LEU 14 HD11 LEU 14 14.826 7.943 -6.404
109 HD12 LEU 14 HD12 LEU 14 13.548 6.738 -6.244
110 HD13 LEU 14 HD13 LEU 14 14.774 6.563 -7.494
111 HD21 LEU 14 HD21 LEU 14 14.478 6.779 -3.748
112 HD22 LEU 14 HD22 LEU 14 15.817 7.797 -4.278
113 HD23 LEU 14 HD23 LEU 14 16.143 6.250 -3.500
114 H ALA 15 HN ALA 15 17.187 3.372 -6.382
115 HA ALA 15 HA ALA 15 18.404 5.099 -8.210
116 HB1 ALA 15 HB1 ALA 15 19.487 2.382 -7.470
117 HB2 ALA 15 HB2 ALA 15 19.514 3.746 -6.352
118 HB3 ALA 15 HB3 ALA 15 20.392 3.839 -7.879
119 H LEU 16 HN LEU 16 16.821 2.020 -8.660
120 HA LEU 16 HA LEU 16 17.964 1.321 -11.136
121 HB2 LEU 16 HB2 LEU 16 15.582 0.519 -9.580
122 HB3 LEU 16 HB1 LEU 16 15.342 0.348 -11.313
123 HG LEU 16 HG LEU 16 17.508 -0.956 -11.394
124 HD11 LEU 16 HD11 LEU 16 18.603 -1.640 -9.434
125 HD12 LEU 16 HD12 LEU 16 17.229 -1.243 -8.403
126 HD13 LEU 16 HD13 LEU 16 18.218 0.045 -9.092
127 HD21 LEU 16 HD21 LEU 16 15.155 -1.900 -9.738
128 HD22 LEU 16 HD22 LEU 16 16.459 -2.986 -10.219
129 HD23 LEU 16 HD23 LEU 16 15.467 -2.200 -11.448
130 H TRP 17 HN TRP 17 14.870 3.021 -10.508
131 HA TRP 17 HA TRP 17 14.595 3.695 -13.276
132 HB2 TRP 17 HB2 TRP 17 12.505 3.582 -12.297
133 HB3 TRP 17 HB1 TRP 17 13.108 4.149 -10.742
134 HD1 TRP 17 HD1 TRP 17 11.529 5.383 -13.964
135 HE1 TRP 17 HE1 TRP 17 11.068 7.923 -13.713
136 HE3 TRP 17 HE3 TRP 17 14.013 6.251 -9.667
137 HZ2 TRP 17 HZ2 TRP 17 11.705 10.042 -11.877
138 HZ3 TRP 17 HZ3 TRP 17 14.103 8.474 -8.664
139 HH2 TRP 17 HH2 TRP 17 12.953 10.407 -9.748
140 H TRP 18 HN TRP 18 15.613 5.649 -10.393
141 HA TRP 18 HA TRP 18 15.875 8.098 -11.652
142 HB2 TRP 18 HB2 TRP 18 16.233 7.765 -9.256
143 HB3 TRP 18 HB1 TRP 18 17.667 6.837 -9.593
144 HD1 TRP 18 HD1 TRP 18 16.471 10.229 -10.882
145 HE1 TRP 18 HE1 TRP 18 18.403 11.927 -10.615
146 HE3 TRP 18 HE3 TRP 18 19.908 7.214 -8.710
147 HZ2 TRP 18 HZ2 TRP 18 21.091 11.959 -9.590
148 HZ3 TRP 18 HZ3 TRP 18 22.139 8.068 -8.092
149 HH2 TRP 18 HH2 TRP 18 22.744 10.437 -8.527
150 H ALA 19 HN ALA 19 18.339 5.594 -11.266
151 HA ALA 19 HA ALA 19 20.181 6.881 -13.060
152 HB1 ALA 19 HB1 ALA 19 20.805 5.418 -11.078
153 HB2 ALA 19 HB2 ALA 19 21.656 5.081 -12.586
154 HB3 ALA 19 HB3 ALA 19 20.332 4.038 -12.068
155 HA1 ETA 20 HA1 ETA 20 17.806 4.665 -16.257
156 HA2 ETA 20 HA2 ETA 20 16.557 3.869 -15.299
157 HN2 ETA 20 HN ETA 20 17.536 4.755 -13.403
158 HB1 ETA 20 HB1 ETA 20 17.802 2.118 -16.332
159 HB2 ETA 20 HB2 ETA 20 18.356 2.164 -14.664
160 HO ETA 20 HG ETA 20 20.071 3.562 -15.393
Start of MODEL 5
1 H1 ACE 0 HA2 ACE 0 15.497 -8.411 13.600
2 H2 ACE 0 HA3 ACE 0 16.208 -6.944 12.930
3 H3 ACE 0 HA1 ACE 0 14.919 -7.775 12.060
4 H GLY 1 HN GLY 1 14.213 -5.327 12.292
5 HA2 GLY 1 HA2 GLY 1 12.186 -5.240 14.365
6 HA3 GLY 1 HA1 GLY 1 13.375 -3.945 14.363
7 H TRP 2 HN TRP 2 12.407 -2.285 13.660
8 HA TRP 2 HA TRP 2 10.275 -2.235 11.806
9 HB2 TRP 2 HB2 TRP 2 10.069 -0.200 12.839
10 HB3 TRP 2 HB1 TRP 2 11.679 -0.366 13.504
11 HD1 TRP 2 HD1 TRP 2 13.484 1.091 12.571
12 HE1 TRP 2 HE1 TRP 2 13.636 2.861 10.673
13 HE3 TRP 2 HE3 TRP 2 8.991 0.323 10.326
14 HZ2 TRP 2 HZ2 TRP 2 12.030 3.794 8.497
15 HZ3 TRP 2 HZ3 TRP 2 8.313 1.653 8.348
16 HH2 TRP 2 HH2 TRP 2 9.828 3.388 7.430
17 H TRP 3 HN TRP 3 13.783 -2.023 11.396
18 HA TRP 3 HA TRP 3 14.021 -0.895 8.914
19 HB2 TRP 3 HB2 TRP 3 16.180 -1.788 8.920
20 HB3 TRP 3 HB1 TRP 3 15.774 -1.831 10.623
21 HD1 TRP 3 HD1 TRP 3 15.458 -4.141 11.729
22 HE1 TRP 3 HE1 TRP 3 15.987 -6.559 10.980
23 HE3 TRP 3 HE3 TRP 3 16.261 -3.353 6.773
24 HZ2 TRP 3 HZ2 TRP 3 16.657 -7.954 8.586
25 HZ3 TRP 3 HZ3 TRP 3 16.840 -5.223 5.270
26 HH2 TRP 3 HH2 TRP 3 17.040 -7.527 6.170
27 H LEU 4 HN LEU 4 11.988 -3.473 9.444
28 HA LEU 4 HA LEU 4 12.607 -5.048 7.160
29 HB2 LEU 4 HB2 LEU 4 10.206 -4.810 8.940
30 HB3 LEU 4 HB1 LEU 4 10.257 -5.929 7.581
31 HG LEU 4 HG LEU 4 12.451 -5.927 9.671
32 HD11 LEU 4 HD11 LEU 4 9.938 -7.613 9.762
33 HD12 LEU 4 HD12 LEU 4 10.235 -6.221 10.800
34 HD13 LEU 4 HD13 LEU 4 11.273 -7.640 10.909
35 HD21 LEU 4 HD21 LEU 4 11.409 -7.936 7.632
36 HD22 LEU 4 HD22 LEU 4 12.482 -8.402 8.947
37 HD23 LEU 4 HD23 LEU 4 13.028 -7.247 7.743
38 H ALA 5 HN ALA 5 10.971 -2.058 7.637
39 HA ALA 5 HA ALA 5 9.277 -2.236 5.340
40 HB1 ALA 5 HB1 ALA 5 8.854 -0.750 7.317
41 HB2 ALA 5 HB2 ALA 5 8.798 0.088 5.766
42 HB3 ALA 5 HB3 ALA 5 10.221 0.241 6.800
43 H LEU 6 HN LEU 6 12.598 -1.716 5.807
44 HA LEU 6 HA LEU 6 13.067 0.032 3.587
45 HB2 LEU 6 HB2 LEU 6 14.751 -1.583 5.419
46 HB3 LEU 6 HB1 LEU 6 15.496 -0.878 4.004
47 HG LEU 6 HG LEU 6 13.847 0.818 5.865
48 HD11 LEU 6 HD11 LEU 6 15.544 -0.314 7.240
49 HD12 LEU 6 HD12 LEU 6 15.909 1.401 7.082
50 HD13 LEU 6 HD13 LEU 6 16.801 0.214 6.129
51 HD21 LEU 6 HD21 LEU 6 14.458 1.883 3.767
52 HD22 LEU 6 HD22 LEU 6 16.130 1.356 3.937
53 HD23 LEU 6 HD23 LEU 6 15.473 2.568 5.031
54 H ALA 7 HN ALA 7 12.845 -3.433 4.028
55 HA ALA 7 HA ALA 7 14.114 -4.051 1.506
56 HB1 ALA 7 HB1 ALA 7 12.491 -5.774 3.391
57 HB2 ALA 7 HB2 ALA 7 14.249 -5.641 3.358
58 HB3 ALA 7 HB3 ALA 7 13.393 -6.362 1.995
59 H LEU 8 HN LEU 8 11.130 -2.860 2.409
60 HA LEU 8 HA LEU 8 9.568 -4.164 0.321
61 HB2 LEU 8 HB2 LEU 8 8.726 -1.921 2.141
62 HB3 LEU 8 HB1 LEU 8 7.691 -3.052 1.266
63 HG LEU 8 HG LEU 8 9.573 -3.724 3.542
64 HD11 LEU 8 HD11 LEU 8 6.568 -4.038 3.401
65 HD12 LEU 8 HD12 LEU 8 7.344 -2.590 4.044
66 HD13 LEU 8 HD13 LEU 8 7.603 -4.151 4.824
67 HD21 LEU 8 HD21 LEU 8 9.637 -5.635 2.138
68 HD22 LEU 8 HD22 LEU 8 7.951 -5.450 1.655
69 HD23 LEU 8 HD23 LEU 8 8.347 -6.016 3.278
70 H ALA 9 HN ALA 9 11.298 -1.193 0.878
71 HA ALA 9 HA ALA 9 10.829 -0.368 -1.863
72 HB1 ALA 9 HB1 ALA 9 9.843 1.744 -1.388
73 HB2 ALA 9 HB2 ALA 9 10.086 1.544 0.347
74 HB3 ALA 9 HB3 ALA 9 8.896 0.552 -0.497
75 HA PRO 10 HA PRO 10 14.882 0.799 0.236
76 HB2 PRO 10 HB2 PRO 10 16.533 -0.856 -1.154
77 HB3 PRO 10 HB1 PRO 10 15.697 -1.378 0.318
78 HG2 PRO 10 HG2 PRO 10 14.961 -1.872 -2.539
79 HG3 PRO 10 HG1 PRO 10 14.941 -2.998 -1.163
80 HD2 PRO 10 HD2 PRO 10 12.676 -1.794 -2.058
81 HD3 PRO 10 HD1 PRO 10 12.919 -2.186 -0.339
82 H ALA 11 HN ALA 11 16.673 1.954 -0.818
83 HA ALA 11 HA ALA 11 15.835 3.565 -2.977
84 HB1 ALA 11 HB1 ALA 11 17.447 4.466 -1.473
85 HB2 ALA 11 HB2 ALA 11 18.267 4.278 -3.024
86 HB3 ALA 11 HB3 ALA 11 18.546 3.111 -1.730
87 H LEU 12 HN LEU 12 16.881 0.391 -2.999
88 HA LEU 12 HA LEU 12 18.529 0.273 -5.276
89 HB2 LEU 12 HB2 LEU 12 16.536 -1.791 -4.312
90 HB3 LEU 12 HB1 LEU 12 17.872 -2.088 -5.420
91 HG LEU 12 HG LEU 12 18.324 -0.933 -2.662
92 HD11 LEU 12 HD11 LEU 12 18.864 -3.242 -1.921
93 HD12 LEU 12 HD12 LEU 12 18.278 -3.856 -3.469
94 HD13 LEU 12 HD13 LEU 12 17.163 -3.062 -2.355
95 HD21 LEU 12 HD21 LEU 12 20.576 -2.107 -3.050
96 HD22 LEU 12 HD22 LEU 12 20.262 -0.703 -4.061
97 HD23 LEU 12 HD23 LEU 12 20.072 -2.324 -4.725
98 H ALA 13 HN ALA 13 14.995 -0.364 -5.095
99 HA ALA 13 HA ALA 13 14.618 -0.492 -7.879
100 HB1 ALA 13 HB1 ALA 13 12.893 -1.329 -6.440
101 HB2 ALA 13 HB2 ALA 13 12.213 0.041 -7.317
102 HB3 ALA 13 HB3 ALA 13 12.724 0.232 -5.640
103 H LEU 14 HN LEU 14 15.210 2.126 -5.790
104 HA LEU 14 HA LEU 14 14.029 4.172 -7.430
105 HB2 LEU 14 HB2 LEU 14 14.535 4.152 -4.843
106 HB3 LEU 14 HB1 LEU 14 16.132 4.696 -5.335
107 HG LEU 14 HG LEU 14 13.479 6.060 -5.875
108 HD11 LEU 14 HD11 LEU 14 14.351 7.807 -4.480
109 HD12 LEU 14 HD12 LEU 14 15.961 7.084 -4.472
110 HD13 LEU 14 HD13 LEU 14 14.634 6.295 -3.617
111 HD21 LEU 14 HD21 LEU 14 14.766 6.382 -7.861
112 HD22 LEU 14 HD22 LEU 14 16.261 6.593 -6.955
113 HD23 LEU 14 HD23 LEU 14 15.015 7.841 -6.909
114 H ALA 15 HN ALA 15 17.404 3.370 -6.550
115 HA ALA 15 HA ALA 15 18.560 5.076 -8.463
116 HB1 ALA 15 HB1 ALA 15 19.916 4.217 -6.664
117 HB2 ALA 15 HB2 ALA 15 20.592 3.624 -8.181
118 HB3 ALA 15 HB3 ALA 15 19.617 2.555 -7.171
119 H LEU 16 HN LEU 16 17.226 1.859 -8.686
120 HA LEU 16 HA LEU 16 18.415 1.075 -11.107
121 HB2 LEU 16 HB2 LEU 16 15.919 0.337 -9.639
122 HB3 LEU 16 HB1 LEU 16 16.101 -0.252 -11.285
123 HG LEU 16 HG LEU 16 18.360 -0.622 -9.305
124 HD11 LEU 16 HD11 LEU 16 17.263 -2.975 -8.966
125 HD12 LEU 16 HD12 LEU 16 15.772 -2.161 -9.448
126 HD13 LEU 16 HD13 LEU 16 16.661 -1.607 -8.035
127 HD21 LEU 16 HD21 LEU 16 17.433 -2.516 -11.485
128 HD22 LEU 16 HD22 LEU 16 19.042 -2.347 -10.784
129 HD23 LEU 16 HD23 LEU 16 18.429 -1.116 -11.880
130 H TRP 17 HN TRP 17 15.170 2.528 -10.556
131 HA TRP 17 HA TRP 17 14.844 2.976 -13.376
132 HB2 TRP 17 HB2 TRP 17 12.772 2.670 -12.385
133 HB3 TRP 17 HB1 TRP 17 13.279 3.433 -10.879
134 HD1 TRP 17 HD1 TRP 17 11.612 4.202 -14.202
135 HE1 TRP 17 HE1 TRP 17 10.865 6.689 -14.172
136 HE3 TRP 17 HE3 TRP 17 13.927 5.709 -9.974
137 HZ2 TRP 17 HZ2 TRP 17 11.238 9.009 -12.523
138 HZ3 TRP 17 HZ3 TRP 17 13.754 7.999 -9.179
139 HH2 TRP 17 HH2 TRP 17 12.410 9.691 -10.427
140 H TRP 18 HN TRP 18 15.631 5.173 -10.602
141 HA TRP 18 HA TRP 18 15.623 7.580 -11.990
142 HB2 TRP 18 HB2 TRP 18 15.987 7.438 -9.578
143 HB3 TRP 18 HB1 TRP 18 17.514 6.641 -9.849
144 HD1 TRP 18 HD1 TRP 18 16.017 9.808 -11.381
145 HE1 TRP 18 HE1 TRP 18 17.763 11.707 -11.188
146 HE3 TRP 18 HE3 TRP 18 19.673 7.309 -8.931
147 HZ2 TRP 18 HZ2 TRP 18 20.404 12.080 -10.106
148 HZ3 TRP 18 HZ3 TRP 18 21.788 8.423 -8.322
149 HH2 TRP 18 HH2 TRP 18 22.166 10.808 -8.903
150 H ALA 19 HN ALA 19 18.355 5.397 -11.456
151 HA ALA 19 HA ALA 19 20.046 6.786 -13.331
152 HB1 ALA 19 HB1 ALA 19 21.743 5.282 -12.694
153 HB2 ALA 19 HB2 ALA 19 20.585 4.048 -12.196
154 HB3 ALA 19 HB3 ALA 19 20.790 5.509 -11.229
155 HA1 ETA 20 HA1 ETA 20 16.682 3.726 -15.671
156 HA2 ETA 20 HA2 ETA 20 18.323 3.095 -15.812
157 HN2 ETA 20 HN ETA 20 17.432 5.088 -13.958
158 HB1 ETA 20 HB1 ETA 20 17.512 4.286 -17.865
159 HB2 ETA 20 HB2 ETA 20 18.973 4.988 -17.186
160 HO ETA 20 HG ETA 20 16.397 5.922 -16.517
Start of MODEL 6
1 H1 ACE 0 HA2 ACE 0 15.065 -7.664 11.840
2 H2 ACE 0 HA3 ACE 0 15.432 -8.565 13.309
3 H3 ACE 0 HA1 ACE 0 16.303 -7.075 12.950
4 H GLY 1 HN GLY 1 14.346 -5.320 12.262
5 HA2 GLY 1 HA2 GLY 1 12.276 -5.331 14.318
6 HA3 GLY 1 HA1 GLY 1 13.442 -4.015 14.312
7 H TRP 2 HN TRP 2 12.412 -2.376 13.647
8 HA TRP 2 HA TRP 2 10.288 -2.357 11.777
9 HB2 TRP 2 HB2 TRP 2 9.999 -0.364 12.871
10 HB3 TRP 2 HB1 TRP 2 11.619 -0.476 13.529
11 HD1 TRP 2 HD1 TRP 2 13.366 1.057 12.610
12 HE1 TRP 2 HE1 TRP 2 13.440 2.876 10.756
13 HE3 TRP 2 HE3 TRP 2 8.875 0.198 10.390
14 HZ2 TRP 2 HZ2 TRP 2 11.783 3.809 8.621
15 HZ3 TRP 2 HZ3 TRP 2 8.135 1.554 8.452
16 HH2 TRP 2 HH2 TRP 2 9.584 3.360 7.564
17 H TRP 3 HN TRP 3 13.794 -2.035 11.412
18 HA TRP 3 HA TRP 3 14.000 -0.831 8.953
19 HB2 TRP 3 HB2 TRP 3 16.202 -1.609 8.978
20 HB3 TRP 3 HB1 TRP 3 15.777 -1.694 10.676
21 HD1 TRP 3 HD1 TRP 3 15.576 -4.034 11.754
22 HE1 TRP 3 HE1 TRP 3 16.239 -6.411 10.980
23 HE3 TRP 3 HE3 TRP 3 16.381 -3.138 6.819
24 HZ2 TRP 3 HZ2 TRP 3 17.005 -7.736 8.574
25 HZ3 TRP 3 HZ3 TRP 3 17.073 -4.956 5.297
26 HH2 TRP 3 HH2 TRP 3 17.387 -7.256 6.169
27 H LEU 4 HN LEU 4 12.099 -3.498 9.441
28 HA LEU 4 HA LEU 4 12.800 -5.030 7.148
29 HB2 LEU 4 HB2 LEU 4 10.354 -4.900 8.879
30 HB3 LEU 4 HB1 LEU 4 10.524 -6.042 7.548
31 HG LEU 4 HG LEU 4 12.571 -5.808 9.771
32 HD11 LEU 4 HD11 LEU 4 10.257 -7.749 9.593
33 HD12 LEU 4 HD12 LEU 4 10.352 -6.381 10.700
34 HD13 LEU 4 HD13 LEU 4 11.499 -7.712 10.842
35 HD21 LEU 4 HD21 LEU 4 13.591 -7.026 8.033
36 HD22 LEU 4 HD22 LEU 4 12.078 -7.746 7.494
37 HD23 LEU 4 HD23 LEU 4 12.857 -8.329 8.961
38 H ALA 5 HN ALA 5 11.008 -2.123 7.638
39 HA ALA 5 HA ALA 5 9.347 -2.339 5.324
40 HB1 ALA 5 HB1 ALA 5 8.721 -0.085 5.796
41 HB2 ALA 5 HB2 ALA 5 10.176 0.188 6.761
42 HB3 ALA 5 HB3 ALA 5 8.908 -0.889 7.354
43 H LEU 6 HN LEU 6 12.642 -1.730 5.793
44 HA LEU 6 HA LEU 6 13.048 0.073 3.596
45 HB2 LEU 6 HB2 LEU 6 14.783 -1.468 5.444
46 HB3 LEU 6 HB1 LEU 6 15.511 -0.724 4.043
47 HG LEU 6 HG LEU 6 13.753 0.892 5.874
48 HD11 LEU 6 HD11 LEU 6 15.707 1.557 7.170
49 HD12 LEU 6 HD12 LEU 6 16.731 0.485 6.214
50 HD13 LEU 6 HD13 LEU 6 15.495 -0.188 7.270
51 HD21 LEU 6 HD21 LEU 6 15.325 2.713 5.075
52 HD22 LEU 6 HD22 LEU 6 14.349 1.993 3.802
53 HD23 LEU 6 HD23 LEU 6 16.040 1.533 3.980
54 H ALA 7 HN ALA 7 12.919 -3.370 4.041
55 HA ALA 7 HA ALA 7 14.244 -3.991 1.547
56 HB1 ALA 7 HB1 ALA 7 12.631 -5.728 3.425
57 HB2 ALA 7 HB2 ALA 7 14.386 -5.544 3.433
58 HB3 ALA 7 HB3 ALA 7 13.585 -6.308 2.060
59 H LEU 8 HN LEU 8 11.167 -2.954 2.458
60 HA LEU 8 HA LEU 8 9.713 -4.290 0.317
61 HB2 LEU 8 HB2 LEU 8 8.721 -2.117 2.147
62 HB3 LEU 8 HB1 LEU 8 7.766 -3.296 1.245
63 HG LEU 8 HG LEU 8 9.628 -3.867 3.566
64 HD11 LEU 8 HD11 LEU 8 6.654 -4.370 3.305
65 HD12 LEU 8 HD12 LEU 8 7.318 -2.893 4.001
66 HD13 LEU 8 HD13 LEU 8 7.638 -4.448 4.768
67 HD21 LEU 8 HD21 LEU 8 9.870 -5.751 2.137
68 HD22 LEU 8 HD22 LEU 8 8.184 -5.689 1.621
69 HD23 LEU 8 HD23 LEU 8 8.590 -6.234 3.249
70 H ALA 9 HN ALA 9 11.303 -1.259 0.932
71 HA ALA 9 HA ALA 9 10.778 -0.398 -1.793
72 HB1 ALA 9 HB1 ALA 9 8.861 0.460 -0.361
73 HB2 ALA 9 HB2 ALA 9 9.764 1.685 -1.252
74 HB3 ALA 9 HB3 ALA 9 10.052 1.456 0.472
75 HA PRO 10 HA PRO 10 14.859 0.784 0.277
76 HB2 PRO 10 HB2 PRO 10 16.498 -0.804 -1.223
77 HB3 PRO 10 HB1 PRO 10 15.737 -1.366 0.276
78 HG2 PRO 10 HG2 PRO 10 14.892 -1.834 -2.556
79 HG3 PRO 10 HG1 PRO 10 14.948 -2.977 -1.196
80 HD2 PRO 10 HD2 PRO 10 12.626 -1.822 -1.979
81 HD3 PRO 10 HD1 PRO 10 12.953 -2.203 -0.274
82 H ALA 11 HN ALA 11 16.704 1.878 -0.866
83 HA ALA 11 HA ALA 11 15.753 3.606 -2.892
84 HB1 ALA 11 HB1 ALA 11 17.478 4.375 -1.404
85 HB2 ALA 11 HB2 ALA 11 18.131 4.357 -3.044
86 HB3 ALA 11 HB3 ALA 11 18.558 3.074 -1.911
87 H LEU 12 HN LEU 12 16.711 0.429 -3.123
88 HA LEU 12 HA LEU 12 18.258 0.383 -5.472
89 HB2 LEU 12 HB2 LEU 12 16.234 -1.672 -4.561
90 HB3 LEU 12 HB1 LEU 12 17.529 -1.941 -5.723
91 HG LEU 12 HG LEU 12 18.109 -0.962 -2.919
92 HD11 LEU 12 HD11 LEU 12 18.641 -3.388 -2.414
93 HD12 LEU 12 HD12 LEU 12 17.782 -3.809 -3.895
94 HD13 LEU 12 HD13 LEU 12 16.922 -3.023 -2.571
95 HD21 LEU 12 HD21 LEU 12 19.724 -2.364 -5.082
96 HD22 LEU 12 HD22 LEU 12 20.293 -2.172 -3.427
97 HD23 LEU 12 HD23 LEU 12 19.993 -0.752 -4.421
98 H ALA 13 HN ALA 13 14.711 -0.153 -5.192
99 HA ALA 13 HA ALA 13 14.196 -0.156 -7.941
100 HB1 ALA 13 HB1 ALA 13 12.513 -0.908 -6.383
101 HB2 ALA 13 HB2 ALA 13 11.863 0.459 -7.287
102 HB3 ALA 13 HB3 ALA 13 12.435 0.688 -5.635
103 H LEU 14 HN LEU 14 14.916 2.446 -5.807
104 HA LEU 14 HA LEU 14 13.827 4.510 -7.504
105 HB2 LEU 14 HB2 LEU 14 13.893 5.022 -5.171
106 HB3 LEU 14 HB1 LEU 14 15.565 4.513 -5.033
107 HG LEU 14 HG LEU 14 16.322 6.435 -6.313
108 HD11 LEU 14 HD11 LEU 14 14.569 8.161 -6.973
109 HD12 LEU 14 HD12 LEU 14 13.359 6.907 -6.692
110 HD13 LEU 14 HD13 LEU 14 14.591 6.684 -7.929
111 HD21 LEU 14 HD21 LEU 14 15.787 6.694 -3.857
112 HD22 LEU 14 HD22 LEU 14 14.226 7.367 -4.329
113 HD23 LEU 14 HD23 LEU 14 15.716 8.200 -4.775
114 H ALA 15 HN ALA 15 17.143 3.544 -6.562
115 HA ALA 15 HA ALA 15 18.405 5.200 -8.460
116 HB1 ALA 15 HB1 ALA 15 20.402 3.923 -8.035
117 HB2 ALA 15 HB2 ALA 15 19.460 2.578 -7.390
118 HB3 ALA 15 HB3 ALA 15 19.539 4.104 -6.508
119 H LEU 16 HN LEU 16 16.964 2.023 -8.691
120 HA LEU 16 HA LEU 16 18.151 1.194 -11.098
121 HB2 LEU 16 HB2 LEU 16 15.601 0.553 -9.677
122 HB3 LEU 16 HB1 LEU 16 15.806 -0.049 -11.315
123 HG LEU 16 HG LEU 16 17.969 -0.489 -9.245
124 HD11 LEU 16 HD11 LEU 16 15.375 -1.991 -9.593
125 HD12 LEU 16 HD12 LEU 16 16.140 -1.430 -8.110
126 HD13 LEU 16 HD13 LEU 16 16.817 -2.805 -8.975
127 HD21 LEU 16 HD21 LEU 16 18.599 -1.046 -11.529
128 HD22 LEU 16 HD22 LEU 16 17.092 -1.921 -11.790
129 HD23 LEU 16 HD23 LEU 16 18.302 -2.561 -10.684
130 H TRP 17 HN TRP 17 14.968 2.789 -10.596
131 HA TRP 17 HA TRP 17 14.677 3.210 -13.421
132 HB2 TRP 17 HB2 TRP 17 12.592 3.040 -12.425
133 HB3 TRP 17 HB1 TRP 17 13.139 3.804 -10.934
134 HD1 TRP 17 HD1 TRP 17 11.523 4.593 -14.277
135 HE1 TRP 17 HE1 TRP 17 10.914 7.115 -14.303
136 HE3 TRP 17 HE3 TRP 17 13.903 6.067 -10.077
137 HZ2 TRP 17 HZ2 TRP 17 11.405 9.451 -12.705
138 HZ3 TRP 17 HZ3 TRP 17 13.852 8.380 -9.332
139 HH2 TRP 17 HH2 TRP 17 12.605 10.116 -10.622
140 H TRP 18 HN TRP 18 15.553 5.397 -10.688
141 HA TRP 18 HA TRP 18 15.717 7.784 -12.105
142 HB2 TRP 18 HB2 TRP 18 16.030 7.617 -9.673
143 HB3 TRP 18 HB1 TRP 18 17.541 6.789 -9.934
144 HD1 TRP 18 HD1 TRP 18 16.079 9.992 -11.413
145 HE1 TRP 18 HE1 TRP 18 17.872 11.850 -11.257
146 HE3 TRP 18 HE3 TRP 18 19.760 7.384 -9.112
147 HZ2 TRP 18 HZ2 TRP 18 20.554 12.153 -10.260
148 HZ3 TRP 18 HZ3 TRP 18 21.916 8.446 -8.562
149 HH2 TRP 18 HH2 TRP 18 22.328 10.830 -9.130
150 H ALA 19 HN ALA 19 18.297 5.440 -11.486
151 HA ALA 19 HA ALA 19 20.118 6.701 -13.316
152 HB1 ALA 19 HB1 ALA 19 21.685 5.081 -12.642
153 HB2 ALA 19 HB2 ALA 19 20.430 3.926 -12.195
154 HB3 ALA 19 HB3 ALA 19 20.706 5.358 -11.203
155 HA1 ETA 20 HA1 ETA 20 19.287 3.136 -16.155
156 HA2 ETA 20 HA2 ETA 20 17.628 3.010 -15.564
157 HN2 ETA 20 HN ETA 20 18.961 3.345 -13.262
158 HB1 ETA 20 HB1 ETA 20 19.047 0.828 -15.883
159 HB2 ETA 20 HB2 ETA 20 18.070 1.001 -14.431
160 HO ETA 20 HG ETA 20 19.792 1.378 -13.229
Start of MODEL 7
1 H1 ACE 0 HA2 ACE 0 16.015 -7.307 11.930
2 H2 ACE 0 HA3 ACE 0 16.815 -7.661 13.460
3 H3 ACE 0 HA1 ACE 0 17.030 -6.086 12.700
4 H GLY 1 HN GLY 1 14.705 -5.062 12.159
5 HA2 GLY 1 HA2 GLY 1 12.732 -5.548 14.215
6 HA3 GLY 1 HA1 GLY 1 13.573 -4.007 14.308
7 H TRP 2 HN TRP 2 12.262 -2.590 13.673
8 HA TRP 2 HA TRP 2 10.154 -2.899 11.829
9 HB2 TRP 2 HB2 TRP 2 9.556 -1.003 12.972
10 HB3 TRP 2 HB1 TRP 2 11.185 -0.852 13.595
11 HD1 TRP 2 HD1 TRP 2 12.627 0.970 12.680
12 HE1 TRP 2 HE1 TRP 2 12.352 2.806 10.862
13 HE3 TRP 2 HE3 TRP 2 8.302 -0.606 10.522
14 HZ2 TRP 2 HZ2 TRP 2 10.513 3.480 8.772
15 HZ3 TRP 2 HZ3 TRP 2 7.301 0.635 8.625
16 HH2 TRP 2 HH2 TRP 2 8.399 2.676 7.746
17 H TRP 3 HN TRP 3 13.539 -1.923 11.412
18 HA TRP 3 HA TRP 3 13.476 -0.679 8.966
19 HB2 TRP 3 HB2 TRP 3 15.782 -1.053 8.925
20 HB3 TRP 3 HB1 TRP 3 15.425 -1.238 10.630
21 HD1 TRP 3 HD1 TRP 3 15.647 -3.592 11.663
22 HE1 TRP 3 HE1 TRP 3 16.705 -5.801 10.834
23 HE3 TRP 3 HE3 TRP 3 16.195 -2.491 6.732
24 HZ2 TRP 3 HZ2 TRP 3 17.651 -6.931 8.400
25 HZ3 TRP 3 HZ3 TRP 3 17.172 -4.135 5.169
26 HH2 TRP 3 HH2 TRP 3 17.903 -6.358 5.998
27 H LEU 4 HN LEU 4 12.085 -3.652 9.429
28 HA LEU 4 HA LEU 4 13.011 -4.979 7.088
29 HB2 LEU 4 HB2 LEU 4 10.642 -5.351 8.891
30 HB3 LEU 4 HB1 LEU 4 10.921 -6.376 7.490
31 HG LEU 4 HG LEU 4 13.096 -5.965 9.561
32 HD11 LEU 4 HD11 LEU 4 11.032 -8.179 9.613
33 HD12 LEU 4 HD12 LEU 4 11.006 -6.787 10.689
34 HD13 LEU 4 HD13 LEU 4 12.348 -7.927 10.756
35 HD21 LEU 4 HD21 LEU 4 12.488 -8.076 7.451
36 HD22 LEU 4 HD22 LEU 4 13.658 -8.344 8.736
37 HD23 LEU 4 HD23 LEU 4 13.918 -7.051 7.578
38 H ALA 5 HN ALA 5 10.720 -2.479 7.714
39 HA ALA 5 HA ALA 5 9.060 -2.904 5.432
40 HB1 ALA 5 HB1 ALA 5 9.527 -0.317 6.920
41 HB2 ALA 5 HB2 ALA 5 8.428 -1.580 7.480
42 HB3 ALA 5 HB3 ALA 5 8.121 -0.760 5.948
43 H LEU 6 HN LEU 6 12.219 -1.725 5.846
44 HA LEU 6 HA LEU 6 12.244 0.126 3.654
45 HB2 LEU 6 HB2 LEU 6 14.275 -1.109 5.430
46 HB3 LEU 6 HB1 LEU 6 14.815 -0.217 4.026
47 HG LEU 6 HG LEU 6 12.855 1.018 5.947
48 HD11 LEU 6 HD11 LEU 6 15.872 1.128 6.184
49 HD12 LEU 6 HD12 LEU 6 14.799 0.250 7.269
50 HD13 LEU 6 HD13 LEU 6 14.718 2.008 7.187
51 HD21 LEU 6 HD21 LEU 6 14.011 3.105 5.137
52 HD22 LEU 6 HD22 LEU 6 13.196 2.222 3.856
53 HD23 LEU 6 HD23 LEU 6 14.944 2.106 4.030
54 H ALA 7 HN ALA 7 12.616 -3.256 4.062
55 HA ALA 7 HA ALA 7 14.100 -3.732 1.652
56 HB1 ALA 7 HB1 ALA 7 12.489 -5.614 3.378
57 HB2 ALA 7 HB2 ALA 7 14.216 -5.293 3.531
58 HB3 ALA 7 HB3 ALA 7 13.592 -6.100 2.091
59 H LEU 8 HN LEU 8 10.893 -2.929 2.290
60 HA LEU 8 HA LEU 8 9.712 -4.400 0.081
61 HB2 LEU 8 HB2 LEU 8 8.665 -2.423 2.090
62 HB3 LEU 8 HB1 LEU 8 7.682 -2.968 0.733
63 HG LEU 8 HG LEU 8 7.908 -5.292 1.453
64 HD11 LEU 8 HD11 LEU 8 10.054 -5.442 2.430
65 HD12 LEU 8 HD12 LEU 8 8.963 -5.625 3.802
66 HD13 LEU 8 HD13 LEU 8 9.758 -4.079 3.508
67 HD21 LEU 8 HD21 LEU 8 6.146 -3.755 2.439
68 HD22 LEU 8 HD22 LEU 8 7.196 -3.571 3.844
69 HD23 LEU 8 HD23 LEU 8 6.540 -5.156 3.436
70 H ALA 9 HN ALA 9 11.074 -1.258 0.697
71 HA ALA 9 HA ALA 9 10.850 -0.567 -2.108
72 HB1 ALA 9 HB1 ALA 9 9.627 1.292 -0.072
73 HB2 ALA 9 HB2 ALA 9 8.683 0.182 -1.066
74 HB3 ALA 9 HB3 ALA 9 9.624 1.463 -1.828
75 HA PRO 10 HA PRO 10 14.483 1.104 0.372
76 HB2 PRO 10 HB2 PRO 10 16.443 -0.426 -0.698
77 HB3 PRO 10 HB1 PRO 10 15.448 -0.992 0.659
78 HG2 PRO 10 HG2 PRO 10 15.172 -1.603 -2.259
79 HG3 PRO 10 HG1 PRO 10 15.090 -2.708 -0.869
80 HD2 PRO 10 HD2 PRO 10 12.851 -1.767 -2.079
81 HD3 PRO 10 HD1 PRO 10 12.904 -2.106 -0.333
82 H ALA 11 HN ALA 11 16.718 1.803 -0.790
83 HA ALA 11 HA ALA 11 15.981 3.653 -2.815
84 HB1 ALA 11 HB1 ALA 11 18.660 2.789 -1.734
85 HB2 ALA 11 HB2 ALA 11 17.791 4.290 -1.417
86 HB3 ALA 11 HB3 ALA 11 18.502 4.001 -3.008
87 H LEU 12 HN LEU 12 16.540 0.366 -3.030
88 HA LEU 12 HA LEU 12 18.047 0.144 -5.400
89 HB2 LEU 12 HB2 LEU 12 15.815 -1.695 -4.532
90 HB3 LEU 12 HB1 LEU 12 17.176 -2.093 -5.580
91 HG LEU 12 HG LEU 12 17.443 -1.213 -2.691
92 HD11 LEU 12 HD11 LEU 12 17.843 -3.997 -3.810
93 HD12 LEU 12 HD12 LEU 12 16.321 -3.472 -3.095
94 HD13 LEU 12 HD13 LEU 12 17.786 -3.511 -2.116
95 HD21 LEU 12 HD21 LEU 12 19.782 -2.309 -3.126
96 HD22 LEU 12 HD22 LEU 12 19.492 -0.698 -3.772
97 HD23 LEU 12 HD23 LEU 12 19.395 -2.101 -4.835
98 H ALA 13 HN ALA 13 14.465 -0.044 -5.072
99 HA ALA 13 HA ALA 13 13.961 0.004 -7.823
100 HB1 ALA 13 HB1 ALA 13 12.179 1.222 -5.707
101 HB2 ALA 13 HB2 ALA 13 12.287 -0.511 -6.017
102 HB3 ALA 13 HB3 ALA 13 11.694 0.574 -7.274
103 H LEU 14 HN LEU 14 15.022 2.524 -5.744
104 HA LEU 14 HA LEU 14 14.110 4.685 -7.442
105 HB2 LEU 14 HB2 LEU 14 14.215 5.192 -5.116
106 HB3 LEU 14 HB1 LEU 14 15.830 4.525 -4.971
107 HG LEU 14 HG LEU 14 16.773 6.367 -6.240
108 HD11 LEU 14 HD11 LEU 14 15.206 8.249 -6.923
109 HD12 LEU 14 HD12 LEU 14 13.871 7.132 -6.639
110 HD13 LEU 14 HD13 LEU 14 15.072 6.777 -7.872
111 HD21 LEU 14 HD21 LEU 14 16.206 8.228 -4.731
112 HD22 LEU 14 HD22 LEU 14 16.343 6.722 -3.825
113 HD23 LEU 14 HD23 LEU 14 14.751 7.375 -4.210
114 H ALA 15 HN ALA 15 17.300 3.364 -6.505
115 HA ALA 15 HA ALA 15 18.731 4.892 -8.398
116 HB1 ALA 15 HB1 ALA 15 19.518 2.174 -7.336
117 HB2 ALA 15 HB2 ALA 15 19.721 3.671 -6.426
118 HB3 ALA 15 HB3 ALA 15 20.590 3.437 -7.943
119 H LEU 16 HN LEU 16 16.983 1.873 -8.614
120 HA LEU 16 HA LEU 16 18.071 0.912 -11.026
121 HB2 LEU 16 HB2 LEU 16 15.622 0.404 -9.432
122 HB3 LEU 16 HB1 LEU 16 15.455 0.013 -11.137
123 HG LEU 16 HG LEU 16 17.204 -1.599 -11.057
124 HD11 LEU 16 HD11 LEU 16 18.363 -1.807 -8.579
125 HD12 LEU 16 HD12 LEU 16 18.128 -0.065 -8.679
126 HD13 LEU 16 HD13 LEU 16 19.050 -0.896 -9.918
127 HD21 LEU 16 HD21 LEU 16 16.430 -3.140 -9.316
128 HD22 LEU 16 HD22 LEU 16 15.049 -2.253 -9.960
129 HD23 LEU 16 HD23 LEU 16 15.736 -1.800 -8.400
130 H TRP 17 HN TRP 17 15.118 2.891 -10.527
131 HA TRP 17 HA TRP 17 14.862 3.284 -13.364
132 HB2 TRP 17 HB2 TRP 17 12.768 3.364 -12.377
133 HB3 TRP 17 HB1 TRP 17 13.393 4.068 -10.889
134 HD1 TRP 17 HD1 TRP 17 11.885 5.005 -14.238
135 HE1 TRP 17 HE1 TRP 17 11.550 7.578 -14.284
136 HE3 TRP 17 HE3 TRP 17 14.404 6.241 -10.045
137 HZ2 TRP 17 HZ2 TRP 17 12.289 9.858 -12.701
138 HZ3 TRP 17 HZ3 TRP 17 14.603 8.553 -9.310
139 HH2 TRP 17 HH2 TRP 17 13.552 10.403 -10.618
140 H TRP 18 HN TRP 18 15.968 5.382 -10.652
141 HA TRP 18 HA TRP 18 16.406 7.709 -12.111
142 HB2 TRP 18 HB2 TRP 18 16.660 7.536 -9.666
143 HB3 TRP 18 HB1 TRP 18 18.088 6.567 -9.900
144 HD1 TRP 18 HD1 TRP 18 16.970 9.878 -11.456
145 HE1 TRP 18 HE1 TRP 18 18.930 11.553 -11.284
146 HE3 TRP 18 HE3 TRP 18 20.317 6.962 -9.026
147 HZ2 TRP 18 HZ2 TRP 18 21.608 11.610 -10.223
148 HZ3 TRP 18 HZ3 TRP 18 22.551 7.812 -8.437
149 HH2 TRP 18 HH2 TRP 18 23.214 10.135 -9.029
150 H ALA 19 HN ALA 19 18.713 5.112 -11.391
151 HA ALA 19 HA ALA 19 20.668 6.120 -13.248
152 HB1 ALA 19 HB1 ALA 19 21.130 4.799 -11.096
153 HB2 ALA 19 HB2 ALA 19 22.053 4.351 -12.532
154 HB3 ALA 19 HB3 ALA 19 20.679 3.367 -12.025
155 HA1 ETA 20 HA1 ETA 20 16.909 3.378 -15.463
156 HA2 ETA 20 HA2 ETA 20 18.520 2.713 -15.733
157 HN2 ETA 20 HN ETA 20 17.807 4.751 -13.821
158 HB1 ETA 20 HB1 ETA 20 17.521 4.026 -17.672
159 HB2 ETA 20 HB2 ETA 20 19.117 4.546 -17.152
160 HO ETA 20 HG ETA 20 18.339 6.400 -16.643
Start of MODEL 8
1 H1 ACE 0 HA2 ACE 0 16.509 -7.768 13.639
2 H2 ACE 0 HA3 ACE 0 16.860 -6.197 12.919
3 H3 ACE 0 HA1 ACE 0 15.783 -7.325 12.094
4 H GLY 1 HN GLY 1 14.592 -5.033 12.317
5 HA2 GLY 1 HA2 GLY 1 12.569 -5.392 14.356
6 HA3 GLY 1 HA1 GLY 1 13.475 -3.887 14.406
7 H TRP 2 HN TRP 2 12.182 -2.449 13.731
8 HA TRP 2 HA TRP 2 10.113 -2.759 11.845
9 HB2 TRP 2 HB2 TRP 2 9.528 -0.802 12.882
10 HB3 TRP 2 HB1 TRP 2 11.133 -0.680 13.570
11 HD1 TRP 2 HD1 TRP 2 12.696 1.042 12.625
12 HE1 TRP 2 HE1 TRP 2 12.539 2.842 10.757
13 HE3 TRP 2 HE3 TRP 2 8.343 -0.387 10.420
14 HZ2 TRP 2 HZ2 TRP 2 10.778 3.545 8.621
15 HZ3 TRP 2 HZ3 TRP 2 7.440 0.854 8.473
16 HH2 TRP 2 HH2 TRP 2 8.651 2.820 7.572
17 H TRP 3 HN TRP 3 13.521 -1.899 11.457
18 HA TRP 3 HA TRP 3 13.546 -0.724 8.980
19 HB2 TRP 3 HB2 TRP 3 15.837 -1.175 8.994
20 HB3 TRP 3 HB1 TRP 3 15.443 -1.317 10.694
21 HD1 TRP 3 HD1 TRP 3 15.598 -3.645 11.777
22 HE1 TRP 3 HE1 TRP 3 16.588 -5.907 11.012
23 HE3 TRP 3 HE3 TRP 3 16.220 -2.684 6.824
24 HZ2 TRP 3 HZ2 TRP 3 17.516 -7.130 8.611
25 HZ3 TRP 3 HZ3 TRP 3 17.154 -4.398 5.311
26 HH2 TRP 3 HH2 TRP 3 17.805 -6.621 6.197
27 H LEU 4 HN LEU 4 12.026 -3.635 9.476
28 HA LEU 4 HA LEU 4 12.945 -5.045 7.180
29 HB2 LEU 4 HB2 LEU 4 10.542 -5.292 8.959
30 HB3 LEU 4 HB1 LEU 4 10.769 -6.340 7.562
31 HG LEU 4 HG LEU 4 12.983 -6.040 9.607
32 HD11 LEU 4 HD11 LEU 4 10.883 -6.680 10.807
33 HD12 LEU 4 HD12 LEU 4 12.120 -7.935 10.843
34 HD13 LEU 4 HD13 LEU 4 10.750 -8.080 9.743
35 HD21 LEU 4 HD21 LEU 4 13.407 -8.428 8.847
36 HD22 LEU 4 HD22 LEU 4 13.623 -7.224 7.585
37 HD23 LEU 4 HD23 LEU 4 12.158 -8.203 7.627
38 H ALA 5 HN ALA 5 10.732 -2.453 7.705
39 HA ALA 5 HA ALA 5 9.115 -2.869 5.392
40 HB1 ALA 5 HB1 ALA 5 8.442 -1.506 7.386
41 HB2 ALA 5 HB2 ALA 5 8.243 -0.667 5.848
42 HB3 ALA 5 HB3 ALA 5 9.617 -0.286 6.888
43 H LEU 6 HN LEU 6 12.297 -1.783 5.853
44 HA LEU 6 HA LEU 6 12.429 0.045 3.650
45 HB2 LEU 6 HB2 LEU 6 14.377 -1.252 5.470
46 HB3 LEU 6 HB1 LEU 6 14.984 -0.417 4.059
47 HG LEU 6 HG LEU 6 13.056 0.948 5.925
48 HD11 LEU 6 HD11 LEU 6 14.958 1.881 7.162
49 HD12 LEU 6 HD12 LEU 6 16.070 0.905 6.201
50 HD13 LEU 6 HD13 LEU 6 14.935 0.126 7.295
51 HD21 LEU 6 HD21 LEU 6 13.474 2.110 3.829
52 HD22 LEU 6 HD22 LEU 6 15.214 1.898 4.011
53 HD23 LEU 6 HD23 LEU 6 14.338 2.965 5.102
54 H ALA 7 HN ALA 7 12.677 -3.369 4.063
55 HA ALA 7 HA ALA 7 14.134 -3.862 1.628
56 HB1 ALA 7 HB1 ALA 7 14.242 -5.436 3.509
57 HB2 ALA 7 HB2 ALA 7 13.606 -6.223 2.065
58 HB3 ALA 7 HB3 ALA 7 12.511 -5.738 3.360
59 H LEU 8 HN LEU 8 10.964 -2.976 2.330
60 HA LEU 8 HA LEU 8 9.679 -4.417 0.166
61 HB2 LEU 8 HB2 LEU 8 8.767 -2.361 2.166
62 HB3 LEU 8 HB1 LEU 8 7.731 -2.857 0.829
63 HG LEU 8 HG LEU 8 7.797 -5.171 1.562
64 HD11 LEU 8 HD11 LEU 8 9.837 -4.111 3.521
65 HD12 LEU 8 HD12 LEU 8 9.986 -5.471 2.408
66 HD13 LEU 8 HD13 LEU 8 8.961 -5.609 3.835
67 HD21 LEU 8 HD21 LEU 8 6.671 -4.922 3.754
68 HD22 LEU 8 HD22 LEU 8 6.142 -3.669 2.630
69 HD23 LEU 8 HD23 LEU 8 7.309 -3.284 3.894
70 H ALA 9 HN ALA 9 11.173 -1.309 0.693
71 HA ALA 9 HA ALA 9 10.979 -0.695 -2.127
72 HB1 ALA 9 HB1 ALA 9 9.793 1.378 -1.915
73 HB2 ALA 9 HB2 ALA 9 9.753 1.237 -0.157
74 HB3 ALA 9 HB3 ALA 9 8.810 0.126 -1.153
75 HA PRO 10 HA PRO 10 14.603 1.005 0.331
76 HB2 PRO 10 HB2 PRO 10 16.568 -0.544 -0.704
77 HB3 PRO 10 HB1 PRO 10 15.568 -1.086 0.659
78 HG2 PRO 10 HG2 PRO 10 15.315 -1.760 -2.246
79 HG3 PRO 10 HG1 PRO 10 15.203 -2.831 -0.831
80 HD2 PRO 10 HD2 PRO 10 12.988 -1.882 -2.099
81 HD3 PRO 10 HD1 PRO 10 13.011 -2.210 -0.350
82 H ALA 11 HN ALA 11 16.763 1.832 -0.763
83 HA ALA 11 HA ALA 11 16.060 3.610 -2.826
84 HB1 ALA 11 HB1 ALA 11 18.760 2.721 -1.816
85 HB2 ALA 11 HB2 ALA 11 17.876 4.185 -1.382
86 HB3 ALA 11 HB3 ALA 11 18.535 4.002 -3.010
87 H LEU 12 HN LEU 12 16.654 0.308 -3.048
88 HA LEU 12 HA LEU 12 18.152 0.131 -5.422
89 HB2 LEU 12 HB2 LEU 12 15.948 -1.750 -4.567
90 HB3 LEU 12 HB1 LEU 12 17.307 -2.117 -5.627
91 HG LEU 12 HG LEU 12 17.577 -1.278 -2.724
92 HD11 LEU 12 HD11 LEU 12 16.500 -3.556 -3.178
93 HD12 LEU 12 HD12 LEU 12 17.960 -3.573 -2.190
94 HD13 LEU 12 HD13 LEU 12 18.041 -4.032 -3.890
95 HD21 LEU 12 HD21 LEU 12 19.933 -2.323 -3.185
96 HD22 LEU 12 HD22 LEU 12 19.610 -0.710 -3.809
97 HD23 LEU 12 HD23 LEU 12 19.531 -2.102 -4.889
98 H ALA 13 HN ALA 13 14.575 -0.126 -5.093
99 HA ALA 13 HA ALA 13 14.006 -0.075 -7.816
100 HB1 ALA 13 HB1 ALA 13 12.334 -0.631 -6.121
101 HB2 ALA 13 HB2 ALA 13 11.755 0.672 -7.158
102 HB3 ALA 13 HB3 ALA 13 12.355 1.034 -5.539
103 H LEU 14 HN LEU 14 15.000 2.491 -5.735
104 HA LEU 14 HA LEU 14 14.070 4.620 -7.444
105 HB2 LEU 14 HB2 LEU 14 14.200 5.164 -5.131
106 HB3 LEU 14 HB1 LEU 14 15.813 4.484 -4.984
107 HG LEU 14 HG LEU 14 16.759 6.317 -6.289
108 HD11 LEU 14 HD11 LEU 14 15.221 8.208 -6.967
109 HD12 LEU 14 HD12 LEU 14 13.862 7.141 -6.615
110 HD13 LEU 14 HD13 LEU 14 15.006 6.724 -7.886
111 HD21 LEU 14 HD21 LEU 14 16.171 8.215 -4.794
112 HD22 LEU 14 HD22 LEU 14 16.441 6.723 -3.893
113 HD23 LEU 14 HD23 LEU 14 14.798 7.289 -4.187
114 H ALA 15 HN ALA 15 17.293 3.362 -6.539
115 HA ALA 15 HA ALA 15 18.687 4.898 -8.443
116 HB1 ALA 15 HB1 ALA 15 19.419 2.198 -7.286
117 HB2 ALA 15 HB2 ALA 15 19.805 3.761 -6.566
118 HB3 ALA 15 HB3 ALA 15 20.526 3.298 -8.107
119 H LEU 16 HN LEU 16 16.860 1.951 -8.693
120 HA LEU 16 HA LEU 16 17.915 0.932 -11.071
121 HB2 LEU 16 HB2 LEU 16 15.671 0.410 -9.367
122 HB3 LEU 16 HB1 LEU 16 15.074 0.415 -11.000
123 HG LEU 16 HG LEU 16 15.707 -1.840 -10.424
124 HD11 LEU 16 HD11 LEU 16 18.078 -1.131 -12.116
125 HD12 LEU 16 HD12 LEU 16 16.495 -0.634 -12.713
126 HD13 LEU 16 HD13 LEU 16 16.812 -2.331 -12.369
127 HD21 LEU 16 HD21 LEU 16 17.443 -0.942 -8.650
128 HD22 LEU 16 HD22 LEU 16 18.586 -1.030 -9.989
129 HD23 LEU 16 HD23 LEU 16 17.748 -2.482 -9.452
130 H TRP 17 HN TRP 17 15.024 2.981 -10.646
131 HA TRP 17 HA TRP 17 14.835 3.434 -13.478
132 HB2 TRP 17 HB2 TRP 17 12.722 3.524 -12.542
133 HB3 TRP 17 HB1 TRP 17 13.327 4.175 -11.021
134 HD1 TRP 17 HD1 TRP 17 11.905 5.248 -14.370
135 HE1 TRP 17 HE1 TRP 17 11.614 7.825 -14.330
136 HE3 TRP 17 HE3 TRP 17 14.351 6.287 -10.084
137 HZ2 TRP 17 HZ2 TRP 17 12.356 10.035 -12.650
138 HZ3 TRP 17 HZ3 TRP 17 14.574 8.569 -9.258
139 HH2 TRP 17 HH2 TRP 17 13.581 10.483 -10.520
140 H TRP 18 HN TRP 18 15.928 5.480 -10.701
141 HA TRP 18 HA TRP 18 16.389 7.829 -12.094
142 HB2 TRP 18 HB2 TRP 18 16.649 7.596 -9.665
143 HB3 TRP 18 HB1 TRP 18 18.055 6.600 -9.917
144 HD1 TRP 18 HD1 TRP 18 17.002 9.972 -11.377
145 HE1 TRP 18 HE1 TRP 18 18.998 11.605 -11.164
146 HE3 TRP 18 HE3 TRP 18 20.305 6.921 -9.053
147 HZ2 TRP 18 HZ2 TRP 18 21.677 11.576 -10.118
148 HZ3 TRP 18 HZ3 TRP 18 22.561 7.712 -8.452
149 HH2 TRP 18 HH2 TRP 18 23.262 10.038 -8.977
150 H ALA 19 HN ALA 19 18.674 5.196 -11.477
151 HA ALA 19 HA ALA 19 20.643 6.257 -13.282
152 HB1 ALA 19 HB1 ALA 19 21.983 4.391 -12.678
153 HB2 ALA 19 HB2 ALA 19 20.579 3.458 -12.161
154 HB3 ALA 19 HB3 ALA 19 21.114 4.847 -11.212
155 HA1 ETA 20 HA1 ETA 20 16.845 3.454 -15.488
156 HA2 ETA 20 HA2 ETA 20 18.440 2.761 -15.783
157 HN2 ETA 20 HN ETA 20 17.785 4.591 -13.719
158 HB1 ETA 20 HB1 ETA 20 17.514 4.129 -17.693
159 HB2 ETA 20 HB2 ETA 20 19.081 4.677 -17.109
160 HO ETA 20 HG ETA 20 18.242 6.480 -16.502
Start of MODEL 9
1 H1 ACE 0 HA2 ACE 0 15.927 -6.979 13.092
2 H2 ACE 0 HA3 ACE 0 14.651 -7.865 12.257
3 H3 ACE 0 HA1 ACE 0 15.214 -8.410 13.836
4 H GLY 1 HN GLY 1 14.034 -5.333 12.405
5 HA2 GLY 1 HA2 GLY 1 11.900 -5.181 14.363
6 HA3 GLY 1 HA1 GLY 1 13.128 -3.923 14.430
7 H TRP 2 HN TRP 2 12.210 -2.249 13.705
8 HA TRP 2 HA TRP 2 10.202 -2.104 11.735
9 HB2 TRP 2 HB2 TRP 2 10.030 -0.052 12.742
10 HB3 TRP 2 HB1 TRP 2 11.583 -0.297 13.511
11 HD1 TRP 2 HD1 TRP 2 13.530 1.042 12.684
12 HE1 TRP 2 HE1 TRP 2 13.899 2.805 10.814
13 HE3 TRP 2 HE3 TRP 2 9.130 0.568 10.177
14 HZ2 TRP 2 HZ2 TRP 2 12.488 3.848 8.559
15 HZ3 TRP 2 HZ3 TRP 2 8.658 1.948 8.174
16 HH2 TRP 2 HH2 TRP 2 10.331 3.590 7.361
17 H TRP 3 HN TRP 3 13.733 -2.035 11.495
18 HA TRP 3 HA TRP 3 14.114 -0.914 9.024
19 HB2 TRP 3 HB2 TRP 3 16.240 -1.868 9.099
20 HB3 TRP 3 HB1 TRP 3 15.780 -1.893 10.791
21 HD1 TRP 3 HD1 TRP 3 15.351 -4.193 11.891
22 HE1 TRP 3 HE1 TRP 3 15.845 -6.629 11.172
23 HE3 TRP 3 HE3 TRP 3 16.371 -3.450 6.964
24 HZ2 TRP 3 HZ2 TRP 3 16.572 -8.050 8.810
25 HZ3 TRP 3 HZ3 TRP 3 16.959 -5.346 5.495
26 HH2 TRP 3 HH2 TRP 3 17.062 -7.643 6.413
27 H LEU 4 HN LEU 4 11.967 -3.406 9.440
28 HA LEU 4 HA LEU 4 12.654 -5.015 7.200
29 HB2 LEU 4 HB2 LEU 4 10.179 -4.647 8.848
30 HB3 LEU 4 HB1 LEU 4 10.175 -5.702 7.437
31 HG LEU 4 HG LEU 4 12.326 -6.022 9.546
32 HD11 LEU 4 HD11 LEU 4 9.625 -7.384 9.611
33 HD12 LEU 4 HD12 LEU 4 10.108 -6.079 10.693
34 HD13 LEU 4 HD13 LEU 4 10.959 -7.622 10.737
35 HD21 LEU 4 HD21 LEU 4 12.657 -7.312 7.508
36 HD22 LEU 4 HD22 LEU 4 10.990 -7.881 7.539
37 HD23 LEU 4 HD23 LEU 4 12.128 -8.422 8.767
38 H ALA 5 HN ALA 5 11.119 -1.947 7.575
39 HA ALA 5 HA ALA 5 9.607 -1.994 5.158
40 HB1 ALA 5 HB1 ALA 5 10.636 0.454 6.595
41 HB2 ALA 5 HB2 ALA 5 9.244 -0.470 7.165
42 HB3 ALA 5 HB3 ALA 5 9.196 0.311 5.584
43 H LEU 6 HN LEU 6 12.926 -1.747 5.817
44 HA LEU 6 HA LEU 6 13.634 -0.062 3.595
45 HB2 LEU 6 HB2 LEU 6 15.110 -1.667 5.608
46 HB3 LEU 6 HB1 LEU 6 15.982 -1.038 4.231
47 HG LEU 6 HG LEU 6 14.270 0.758 5.931
48 HD11 LEU 6 HD11 LEU 6 15.762 -0.195 7.530
49 HD12 LEU 6 HD12 LEU 6 16.445 1.370 7.098
50 HD13 LEU 6 HD13 LEU 6 17.121 -0.108 6.412
51 HD21 LEU 6 HD21 LEU 6 14.981 1.800 3.876
52 HD22 LEU 6 HD22 LEU 6 16.619 1.177 4.050
53 HD23 LEU 6 HD23 LEU 6 16.034 2.433 5.135
54 H ALA 7 HN ALA 7 13.136 -3.431 4.161
55 HA ALA 7 HA ALA 7 14.513 -4.271 1.734
56 HB1 ALA 7 HB1 ALA 7 14.569 -5.651 3.807
57 HB2 ALA 7 HB2 ALA 7 13.908 -6.516 2.419
58 HB3 ALA 7 HB3 ALA 7 12.827 -5.879 3.659
59 H LEU 8 HN LEU 8 11.412 -3.267 2.735
60 HA LEU 8 HA LEU 8 9.973 -4.573 0.557
61 HB2 LEU 8 HB2 LEU 8 9.060 -2.691 2.719
62 HB3 LEU 8 HB1 LEU 8 8.002 -3.511 1.574
63 HG LEU 8 HG LEU 8 9.858 -4.935 3.509
64 HD11 LEU 8 HD11 LEU 8 8.007 -3.634 4.603
65 HD12 LEU 8 HD12 LEU 8 7.903 -5.376 4.864
66 HD13 LEU 8 HD13 LEU 8 6.852 -4.597 3.682
67 HD21 LEU 8 HD21 LEU 8 9.437 -6.481 1.777
68 HD22 LEU 8 HD22 LEU 8 7.828 -5.840 1.450
69 HD23 LEU 8 HD23 LEU 8 8.108 -6.833 2.879
70 H ALA 9 HN ALA 9 11.511 -1.577 1.264
71 HA ALA 9 HA ALA 9 10.677 -0.498 -1.318
72 HB1 ALA 9 HB1 ALA 9 10.167 1.724 -0.221
73 HB2 ALA 9 HB2 ALA 9 10.139 0.868 1.320
74 HB3 ALA 9 HB3 ALA 9 8.973 0.457 0.061
75 HA PRO 10 HA PRO 10 15.061 0.396 0.107
76 HB2 PRO 10 HB2 PRO 10 16.401 -1.194 -1.613
77 HB3 PRO 10 HB1 PRO 10 15.745 -1.822 -0.093
78 HG2 PRO 10 HG2 PRO 10 14.604 -2.009 -2.853
79 HG3 PRO 10 HG1 PRO 10 14.733 -3.269 -1.603
80 HD2 PRO 10 HD2 PRO 10 12.416 -1.901 -2.037
81 HD3 PRO 10 HD1 PRO 10 12.881 -2.499 -0.427
82 H ALA 11 HN ALA 11 16.449 1.855 -0.958
83 HA ALA 11 HA ALA 11 15.372 3.446 -3.003
84 HB1 ALA 11 HB1 ALA 11 17.022 4.410 -1.578
85 HB2 ALA 11 HB2 ALA 11 17.718 4.364 -3.199
86 HB3 ALA 11 HB3 ALA 11 18.202 3.166 -1.997
87 H LEU 12 HN LEU 12 16.451 0.354 -3.328
88 HA LEU 12 HA LEU 12 18.062 0.427 -5.631
89 HB2 LEU 12 HB2 LEU 12 16.056 -1.662 -4.768
90 HB3 LEU 12 HB1 LEU 12 17.275 -1.894 -6.018
91 HG LEU 12 HG LEU 12 18.081 -1.006 -3.241
92 HD11 LEU 12 HD11 LEU 12 17.782 -3.878 -4.166
93 HD12 LEU 12 HD12 LEU 12 16.720 -3.071 -3.011
94 HD13 LEU 12 HD13 LEU 12 18.415 -3.340 -2.610
95 HD21 LEU 12 HD21 LEU 12 20.165 -2.297 -3.915
96 HD22 LEU 12 HD22 LEU 12 19.850 -0.869 -4.892
97 HD23 LEU 12 HD23 LEU 12 19.468 -2.470 -5.523
98 H ALA 13 HN ALA 13 14.538 -0.243 -5.468
99 HA ALA 13 HA ALA 13 14.030 -0.187 -8.182
100 HB1 ALA 13 HB1 ALA 13 12.220 0.846 -5.991
101 HB2 ALA 13 HB2 ALA 13 12.362 -0.840 -6.487
102 HB3 ALA 13 HB3 ALA 13 11.716 0.358 -7.609
103 H LEU 14 HN LEU 14 14.790 2.442 -6.073
104 HA LEU 14 HA LEU 14 13.796 4.481 -7.884
105 HB2 LEU 14 HB2 LEU 14 13.698 5.075 -5.588
106 HB3 LEU 14 HB1 LEU 14 15.353 4.564 -5.295
107 HG LEU 14 HG LEU 14 15.029 6.712 -7.374
108 HD11 LEU 14 HD11 LEU 14 14.500 7.234 -4.440
109 HD12 LEU 14 HD12 LEU 14 13.426 7.566 -5.799
110 HD13 LEU 14 HD13 LEU 14 14.917 8.489 -5.609
111 HD21 LEU 14 HD21 LEU 14 16.912 6.283 -5.017
112 HD22 LEU 14 HD22 LEU 14 16.995 7.665 -6.105
113 HD23 LEU 14 HD23 LEU 14 17.286 6.045 -6.725
114 H ALA 15 HN ALA 15 16.977 3.351 -6.739
115 HA ALA 15 HA ALA 15 18.459 4.977 -8.499
116 HB1 ALA 15 HB1 ALA 15 19.141 2.308 -7.242
117 HB2 ALA 15 HB2 ALA 15 19.553 3.907 -6.622
118 HB3 ALA 15 HB3 ALA 15 20.298 3.319 -8.109
119 H LEU 16 HN LEU 16 16.843 1.901 -8.914
120 HA LEU 16 HA LEU 16 18.111 1.111 -11.303
121 HB2 LEU 16 HB2 LEU 16 15.581 0.407 -9.898
122 HB3 LEU 16 HB1 LEU 16 15.593 0.051 -11.620
123 HG LEU 16 HG LEU 16 17.779 -1.188 -11.245
124 HD11 LEU 16 HD11 LEU 16 18.122 0.042 -8.987
125 HD12 LEU 16 HD12 LEU 16 18.529 -1.672 -9.062
126 HD13 LEU 16 HD13 LEU 16 17.013 -1.159 -8.323
127 HD21 LEU 16 HD21 LEU 16 15.736 -2.450 -11.483
128 HD22 LEU 16 HD22 LEU 16 15.240 -2.070 -9.834
129 HD23 LEU 16 HD23 LEU 16 16.613 -3.142 -10.118
130 H TRP 17 HN TRP 17 14.991 2.822 -10.873
131 HA TRP 17 HA TRP 17 14.844 3.422 -13.672
132 HB2 TRP 17 HB2 TRP 17 12.697 3.306 -12.828
133 HB3 TRP 17 HB1 TRP 17 13.212 3.839 -11.231
134 HD1 TRP 17 HD1 TRP 17 11.867 5.160 -14.539
135 HE1 TRP 17 HE1 TRP 17 11.337 7.676 -14.237
136 HE3 TRP 17 HE3 TRP 17 13.932 5.909 -10.000
137 HZ2 TRP 17 HZ2 TRP 17 11.763 9.735 -12.279
138 HZ3 TRP 17 HZ3 TRP 17 13.892 8.090 -8.913
139 HH2 TRP 17 HH2 TRP 17 12.805 10.044 -10.031
140 H TRP 18 HN TRP 18 15.644 5.438 -10.757
141 HA TRP 18 HA TRP 18 15.945 7.869 -12.059
142 HB2 TRP 18 HB2 TRP 18 16.057 7.606 -9.636
143 HB3 TRP 18 HB1 TRP 18 17.545 6.710 -9.793
144 HD1 TRP 18 HD1 TRP 18 16.401 10.035 -11.293
145 HE1 TRP 18 HE1 TRP 18 18.246 11.797 -10.864
146 HE3 TRP 18 HE3 TRP 18 19.668 7.180 -8.685
147 HZ2 TRP 18 HZ2 TRP 18 20.803 11.938 -9.558
148 HZ3 TRP 18 HZ3 TRP 18 21.794 8.117 -7.853
149 HH2 TRP 18 HH2 TRP 18 22.374 10.495 -8.282
150 H ALA 19 HN ALA 19 18.441 5.456 -11.356
151 HA ALA 19 HA ALA 19 20.401 6.778 -12.992
152 HB1 ALA 19 HB1 ALA 19 20.805 5.297 -10.906
153 HB2 ALA 19 HB2 ALA 19 21.913 5.140 -12.270
154 HB3 ALA 19 HB3 ALA 19 20.646 3.939 -12.023
155 HA1 ETA 20 HA1 ETA 20 18.393 4.267 -16.271
156 HA2 ETA 20 HA2 ETA 20 17.356 3.167 -15.365
157 HN2 ETA 20 HN ETA 20 18.102 4.175 -13.416
158 HB1 ETA 20 HB1 ETA 20 19.295 2.130 -16.702
159 HB2 ETA 20 HB2 ETA 20 19.140 1.634 -15.022
160 HO ETA 20 HG ETA 20 20.917 2.610 -14.515
Start of MODEL 10
1 H1 ACE 0 HA2 ACE 0 16.098 -6.873 13.182
2 H2 ACE 0 HA3 ACE 0 14.863 -7.711 12.241
3 H3 ACE 0 HA1 ACE 0 15.356 -8.343 13.811
4 H GLY 1 HN GLY 1 14.128 -5.266 12.422
5 HA2 GLY 1 HA2 GLY 1 11.994 -5.181 14.384
6 HA3 GLY 1 HA1 GLY 1 13.177 -3.882 14.442
7 H TRP 2 HN TRP 2 12.215 -2.230 13.691
8 HA TRP 2 HA TRP 2 10.199 -2.194 11.715
9 HB2 TRP 2 HB2 TRP 2 9.935 -0.139 12.686
10 HB3 TRP 2 HB1 TRP 2 11.495 -0.301 13.464
11 HD1 TRP 2 HD1 TRP 2 13.432 1.029 12.538
12 HE1 TRP 2 HE1 TRP 2 13.698 2.794 10.652
13 HE3 TRP 2 HE3 TRP 2 8.943 0.487 10.228
14 HZ2 TRP 2 HZ2 TRP 2 12.170 3.814 8.455
15 HZ3 TRP 2 HZ3 TRP 2 8.355 1.852 8.246
16 HH2 TRP 2 HH2 TRP 2 9.962 3.517 7.354
17 H TRP 3 HN TRP 3 13.725 -1.999 11.461
18 HA TRP 3 HA TRP 3 14.076 -0.884 8.981
19 HB2 TRP 3 HB2 TRP 3 16.236 -1.781 9.075
20 HB3 TRP 3 HB1 TRP 3 15.765 -1.797 10.761
21 HD1 TRP 3 HD1 TRP 3 15.397 -4.084 11.892
22 HE1 TRP 3 HE1 TRP 3 15.943 -6.515 11.204
23 HE3 TRP 3 HE3 TRP 3 16.400 -3.389 6.955
24 HZ2 TRP 3 HZ2 TRP 3 16.698 -7.957 8.868
25 HZ3 TRP 3 HZ3 TRP 3 17.027 -5.291 5.514
26 HH2 TRP 3 HH2 TRP 3 17.178 -7.574 6.462
27 H LEU 4 HN LEU 4 12.009 -3.433 9.424
28 HA LEU 4 HA LEU 4 12.714 -5.049 7.200
29 HB2 LEU 4 HB2 LEU 4 10.239 -4.727 8.858
30 HB3 LEU 4 HB1 LEU 4 10.313 -5.859 7.513
31 HG LEU 4 HG LEU 4 12.431 -5.912 9.681
32 HD11 LEU 4 HD11 LEU 4 9.875 -7.534 9.727
33 HD12 LEU 4 HD12 LEU 4 10.142 -6.104 10.724
34 HD13 LEU 4 HD13 LEU 4 11.158 -7.526 10.932
35 HD21 LEU 4 HD21 LEU 4 11.354 -7.920 7.664
36 HD22 LEU 4 HD22 LEU 4 12.401 -8.384 8.999
37 HD23 LEU 4 HD23 LEU 4 12.991 -7.275 7.770
38 H ALA 5 HN ALA 5 11.052 -2.036 7.556
39 HA ALA 5 HA ALA 5 9.499 -2.201 5.159
40 HB1 ALA 5 HB1 ALA 5 9.010 -0.683 7.100
41 HB2 ALA 5 HB2 ALA 5 9.025 0.126 5.532
42 HB3 ALA 5 HB3 ALA 5 10.405 0.284 6.621
43 H LEU 6 HN LEU 6 12.802 -1.765 5.775
44 HA LEU 6 HA LEU 6 13.404 -0.045 3.553
45 HB2 LEU 6 HB2 LEU 6 14.972 -1.630 5.512
46 HB3 LEU 6 HB1 LEU 6 15.795 -0.953 4.128
47 HG LEU 6 HG LEU 6 14.054 0.790 5.854
48 HD11 LEU 6 HD11 LEU 6 16.017 1.374 7.203
49 HD12 LEU 6 HD12 LEU 6 16.977 0.179 6.329
50 HD13 LEU 6 HD13 LEU 6 15.646 -0.339 7.351
51 HD21 LEU 6 HD21 LEU 6 16.467 1.267 4.078
52 HD22 LEU 6 HD22 LEU 6 15.748 2.507 5.101
53 HD23 LEU 6 HD23 LEU 6 14.813 1.802 3.786
54 H ALA 7 HN ALA 7 13.003 -3.438 4.086
55 HA ALA 7 HA ALA 7 14.383 -4.226 1.651
56 HB1 ALA 7 HB1 ALA 7 12.645 -5.918 3.452
57 HB2 ALA 7 HB2 ALA 7 14.356 -5.616 3.751
58 HB3 ALA 7 HB3 ALA 7 13.853 -6.473 2.292
59 H LEU 8 HN LEU 8 11.287 -3.155 2.562
60 HA LEU 8 HA LEU 8 9.860 -4.473 0.381
61 HB2 LEU 8 HB2 LEU 8 8.889 -2.466 2.400
62 HB3 LEU 8 HB1 LEU 8 7.887 -3.445 1.326
63 HG LEU 8 HG LEU 8 9.729 -4.533 3.478
64 HD11 LEU 8 HD11 LEU 8 7.772 -4.958 4.774
65 HD12 LEU 8 HD12 LEU 8 6.708 -4.588 3.417
66 HD13 LEU 8 HD13 LEU 8 7.608 -3.293 4.209
67 HD21 LEU 8 HD21 LEU 8 7.921 -5.826 1.423
68 HD22 LEU 8 HD22 LEU 8 8.262 -6.647 2.946
69 HD23 LEU 8 HD23 LEU 8 9.579 -6.249 1.849
70 H ALA 9 HN ALA 9 11.431 -1.468 1.061
71 HA ALA 9 HA ALA 9 10.744 -0.489 -1.597
72 HB1 ALA 9 HB1 ALA 9 10.269 1.287 0.796
73 HB2 ALA 9 HB2 ALA 9 8.981 0.377 0.009
74 HB3 ALA 9 HB3 ALA 9 9.865 1.610 -0.891
75 HA PRO 10 HA PRO 10 15.022 0.497 0.141
76 HB2 PRO 10 HB2 PRO 10 16.478 -1.110 -1.506
77 HB3 PRO 10 HB1 PRO 10 15.812 -1.682 0.031
78 HG2 PRO 10 HG2 PRO 10 14.746 -2.054 -2.738
79 HG3 PRO 10 HG1 PRO 10 14.862 -3.231 -1.409
80 HD2 PRO 10 HD2 PRO 10 12.528 -1.967 -1.993
81 HD3 PRO 10 HD1 PRO 10 12.963 -2.420 -0.327
82 H ALA 11 HN ALA 11 16.515 1.895 -0.884
83 HA ALA 11 HA ALA 11 15.548 3.525 -2.932
84 HB1 ALA 11 HB1 ALA 11 18.347 3.112 -1.890
85 HB2 ALA 11 HB2 ALA 11 17.221 4.410 -1.488
86 HB3 ALA 11 HB3 ALA 11 17.944 4.333 -3.099
87 H LEU 12 HN LEU 12 16.610 0.396 -3.219
88 HA LEU 12 HA LEU 12 18.177 0.453 -5.553
89 HB2 LEU 12 HB2 LEU 12 16.202 -1.647 -4.648
90 HB3 LEU 12 HB1 LEU 12 17.430 -1.881 -5.887
91 HG LEU 12 HG LEU 12 18.191 -0.953 -3.112
92 HD11 LEU 12 HD11 LEU 12 18.625 -3.325 -2.534
93 HD12 LEU 12 HD12 LEU 12 17.873 -3.819 -4.050
94 HD13 LEU 12 HD13 LEU 12 16.912 -3.017 -2.810
95 HD21 LEU 12 HD21 LEU 12 20.315 -2.201 -3.762
96 HD22 LEU 12 HD22 LEU 12 19.979 -0.777 -4.739
97 HD23 LEU 12 HD23 LEU 12 19.637 -2.383 -5.377
98 H ALA 13 HN ALA 13 14.658 -0.226 -5.299
99 HA ALA 13 HA ALA 13 14.083 -0.207 -7.998
100 HB1 ALA 13 HB1 ALA 13 11.787 0.313 -7.368
101 HB2 ALA 13 HB2 ALA 13 12.325 0.892 -5.791
102 HB3 ALA 13 HB3 ALA 13 12.481 -0.815 -6.204
103 H LEU 14 HN LEU 14 14.870 2.462 -5.935
104 HA LEU 14 HA LEU 14 13.875 4.470 -7.776
105 HB2 LEU 14 HB2 LEU 14 13.814 5.105 -5.490
106 HB3 LEU 14 HB1 LEU 14 15.473 4.597 -5.215
107 HG LEU 14 HG LEU 14 15.122 6.704 -7.331
108 HD11 LEU 14 HD11 LEU 14 13.527 7.551 -5.695
109 HD12 LEU 14 HD12 LEU 14 14.994 8.526 -5.648
110 HD13 LEU 14 HD13 LEU 14 14.696 7.324 -4.393
111 HD21 LEU 14 HD21 LEU 14 17.386 6.047 -6.694
112 HD22 LEU 14 HD22 LEU 14 17.030 6.318 -4.991
113 HD23 LEU 14 HD23 LEU 14 17.101 7.681 -6.101
114 H ALA 15 HN ALA 15 17.082 3.367 -6.658
115 HA ALA 15 HA ALA 15 18.531 4.949 -8.485
116 HB1 ALA 15 HB1 ALA 15 20.421 3.587 -7.945
117 HB2 ALA 15 HB2 ALA 15 19.392 2.252 -7.432
118 HB3 ALA 15 HB3 ALA 15 19.465 3.730 -6.471
119 H LEU 16 HN LEU 16 16.892 1.872 -8.809
120 HA LEU 16 HA LEU 16 18.129 1.003 -11.191
121 HB2 LEU 16 HB2 LEU 16 15.603 0.374 -9.741
122 HB3 LEU 16 HB1 LEU 16 15.585 -0.018 -11.456
123 HG LEU 16 HG LEU 16 17.742 -1.294 -11.096
124 HD11 LEU 16 HD11 LEU 16 18.163 -0.016 -8.872
125 HD12 LEU 16 HD12 LEU 16 18.562 -1.729 -8.938
126 HD13 LEU 16 HD13 LEU 16 17.075 -1.203 -8.157
127 HD21 LEU 16 HD21 LEU 16 15.284 -2.136 -9.516
128 HD22 LEU 16 HD22 LEU 16 16.593 -3.223 -9.988
129 HD23 LEU 16 HD23 LEU 16 15.594 -2.455 -11.223
130 H TRP 17 HN TRP 17 15.021 2.739 -10.765
131 HA TRP 17 HA TRP 17 14.846 3.295 -13.567
132 HB2 TRP 17 HB2 TRP 17 12.708 3.195 -12.697
133 HB3 TRP 17 HB1 TRP 17 13.242 3.757 -11.118
134 HD1 TRP 17 HD1 TRP 17 11.874 5.017 -14.435
135 HE1 TRP 17 HE1 TRP 17 11.340 7.539 -14.173
136 HE3 TRP 17 HE3 TRP 17 13.970 5.842 -9.928
137 HZ2 TRP 17 HZ2 TRP 17 11.777 9.631 -12.246
138 HZ3 TRP 17 HZ3 TRP 17 13.935 8.036 -8.874
139 HH2 TRP 17 HH2 TRP 17 12.837 9.972 -10.011
140 H TRP 18 HN TRP 18 15.661 5.363 -10.691
141 HA TRP 18 HA TRP 18 15.951 7.761 -12.046
142 HB2 TRP 18 HB2 TRP 18 16.099 7.541 -9.614
143 HB3 TRP 18 HB1 TRP 18 17.599 6.667 -9.781
144 HD1 TRP 18 HD1 TRP 18 16.358 9.949 -11.306
145 HE1 TRP 18 HE1 TRP 18 18.188 11.744 -10.966
146 HE3 TRP 18 HE3 TRP 18 19.748 7.183 -8.769
147 HZ2 TRP 18 HZ2 TRP 18 20.786 11.943 -9.746
148 HZ3 TRP 18 HZ3 TRP 18 21.884 8.164 -8.021
149 HH2 TRP 18 HH2 TRP 18 22.415 10.541 -8.503
150 H ALA 19 HN ALA 19 18.460 5.357 -11.338
151 HA ALA 19 HA ALA 19 20.383 6.649 -13.049
152 HB1 ALA 19 HB1 ALA 19 21.924 5.059 -12.292
153 HB2 ALA 19 HB2 ALA 19 20.682 3.838 -12.011
154 HB3 ALA 19 HB3 ALA 19 20.826 5.222 -10.923
155 HA1 ETA 20 HA1 ETA 20 17.105 3.313 -15.385
156 HA2 ETA 20 HA2 ETA 20 18.809 3.029 -15.736
157 HN2 ETA 20 HN ETA 20 17.763 4.654 -13.616
158 HB1 ETA 20 HB1 ETA 20 17.493 4.251 -17.538
159 HB2 ETA 20 HB2 ETA 20 18.958 5.058 -16.996
160 HO ETA 20 HG ETA 20 17.315 5.991 -15.357
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