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 |
|
|
275464 |
2kkg   |
16505 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H TRP 57 H TRP 57 12.380 1.066 -17.634
2 HA TRP 57 HA TRP 57 12.661 -0.842 -16.530
3 1HB TRP 57 HB2 TRP 57 14.748 -1.371 -15.279
4 2HB TRP 57 HB3 TRP 57 15.030 -1.068 -16.988
5 HD1 TRP 57 HD1 TRP 57 14.572 2.119 -15.092
6 HE1 TRP 57 HE1 TRP 57 16.850 3.247 -14.709
7 HE3 TRP 57 HE3 TRP 57 17.628 -1.745 -16.457
8 HZ2 TRP 57 HZ2 TRP 57 19.584 2.588 -14.953
9 HZ3 TRP 57 HZ3 TRP 57 20.065 -1.413 -16.353
10 HH2 TRP 57 HH2 TRP 57 21.021 0.710 -15.617
11 H GLY 58 H GLY 58 13.308 -1.283 -13.965
12 1HA GLY 58 HA2 GLY 58 12.836 0.985 -12.275
13 2HA GLY 58 HA3 GLY 58 11.400 -0.007 -12.472
14 H GLN 59 H GLN 59 14.636 -1.335 -12.473
15 HA GLN 59 HA GLN 59 13.985 -3.172 -10.396
16 1HB GLN 59 HB2 GLN 59 16.244 -3.991 -10.649
17 2HB GLN 59 HB3 GLN 59 15.564 -3.682 -12.241
18 1HG GLN 59 HG2 GLN 59 16.738 -1.404 -12.070
19 2HG GLN 59 HG3 GLN 59 17.656 -2.141 -10.758
20 1HE2 GLN 59 HE21 GLN 59 19.590 -2.659 -11.480
21 2HE2 GLN 59 HE22 GLN 59 19.944 -3.435 -12.982
22 HA PRO 60 HA PRO 60 15.170 -0.949 -6.782
23 1HB PRO 60 HB2 PRO 60 16.253 -2.918 -5.247
24 2HB PRO 60 HB3 PRO 60 14.516 -2.760 -5.534
25 1HG PRO 60 HG2 PRO 60 16.500 -4.564 -6.864
26 2HG PRO 60 HG3 PRO 60 14.859 -4.928 -6.301
27 1HD PRO 60 HD2 PRO 60 15.420 -4.449 -8.899
28 2HD PRO 60 HD3 PRO 60 13.873 -3.984 -8.162
29 H HIS 61 H HIS 61 16.937 -0.047 -5.681
30 HA HIS 61 HA HIS 61 19.507 -0.424 -7.044
31 1HB HIS 61 HB2 HIS 61 20.077 1.778 -5.900
32 2HB HIS 61 HB3 HIS 61 18.833 1.848 -7.144
33 HD1 HIS 61 HD1 HIS 61 16.437 2.413 -6.396
34 HD2 HIS 61 HD2 HIS 61 19.181 2.262 -3.279
35 HE1 HIS 61 HE1 HIS 61 15.264 3.430 -4.419
36 HE2 HIS 61 HE2 HIS 61 16.913 3.248 -2.522
37 H GLY 62 H GLY 62 17.947 -0.579 -3.921
38 1HA GLY 62 HA2 GLY 62 20.476 -1.613 -2.793
39 2HA GLY 62 HA3 GLY 62 19.405 -0.566 -1.871
40 H GLY 63 H GLY 63 16.936 -1.694 -2.608
41 1HA GLY 63 HA2 GLY 63 16.853 -4.500 -2.297
42 2HA GLY 63 HA3 GLY 63 16.676 -3.737 -0.724
43 H GLY 64 H GLY 64 15.226 -4.246 -3.857
44 1HA GLY 64 HA2 GLY 64 13.042 -4.108 -4.557
45 2HA GLY 64 HA3 GLY 64 12.599 -4.138 -2.856
46 H TRP 65 H TRP 65 10.881 -2.707 -3.855
47 HA TRP 65 HA TRP 65 11.648 0.060 -3.380
48 1HB TRP 65 HB2 TRP 65 10.061 0.505 -5.512
49 2HB TRP 65 HB3 TRP 65 11.813 0.393 -5.625
50 HD1 TRP 65 HD1 TRP 65 12.652 -2.335 -6.107
51 HE1 TRP 65 HE1 TRP 65 11.687 -3.923 -7.882
52 HE3 TRP 65 HE3 TRP 65 8.147 -0.043 -6.875
53 HZ2 TRP 65 HZ2 TRP 65 9.327 -4.168 -9.416
54 HZ3 TRP 65 HZ3 TRP 65 6.594 -1.018 -8.516
55 HH2 TRP 65 HH2 TRP 65 7.174 -3.037 -9.760
56 H GLY 66 H GLY 66 8.766 -1.322 -4.891
57 1HA GLY 66 HA2 GLY 66 7.229 -0.454 -2.521
58 2HA GLY 66 HA3 GLY 66 6.619 -0.333 -4.164
59 H GLN 67 H GLN 67 8.419 -3.163 -3.558
60 HA GLN 67 HA GLN 67 6.059 -4.788 -3.862
61 1HB GLN 67 HB2 GLN 67 7.591 -6.658 -3.989
62 2HB GLN 67 HB3 GLN 67 8.198 -5.342 -4.983
63 1HG GLN 67 HG2 GLN 67 9.730 -4.719 -3.145
64 2HG GLN 67 HG3 GLN 67 9.173 -6.132 -2.249
65 1HE2 GLN 67 HE21 GLN 67 10.333 -7.900 -2.467
66 2HE2 GLN 67 HE22 GLN 67 11.399 -8.267 -3.776
67 HA PRO 68 HA PRO 68 5.237 -5.727 0.362
68 1HB PRO 68 HB2 PRO 68 4.549 -8.364 0.223
69 2HB PRO 68 HB3 PRO 68 3.490 -7.051 -0.302
70 1HG PRO 68 HG2 PRO 68 5.266 -8.822 -1.936
71 2HG PRO 68 HG3 PRO 68 3.609 -8.282 -2.270
72 1HD PRO 68 HD2 PRO 68 5.752 -7.144 -3.446
73 2HD PRO 68 HD3 PRO 68 4.302 -6.210 -3.022
74 H HIS 69 H HIS 69 5.971 -6.933 2.208
75 HA HIS 69 HA HIS 69 8.651 -8.072 1.806
76 1HB HIS 69 HB2 HIS 69 8.971 -7.554 4.242
77 2HB HIS 69 HB3 HIS 69 8.725 -6.140 3.225
78 HD1 HIS 69 HD1 HIS 69 6.522 -4.820 3.539
79 HD2 HIS 69 HD2 HIS 69 6.946 -8.060 6.106
80 HE1 HIS 69 HE1 HIS 69 4.746 -4.524 5.294
81 HE2 HIS 69 HE2 HIS 69 5.079 -6.448 6.886
82 H GLY 70 H GLY 70 5.493 -8.656 3.185
83 1HA GLY 70 HA2 GLY 70 6.312 -11.443 3.682
84 2HA GLY 70 HA3 GLY 70 5.410 -10.559 4.904
85 H GLY 71 H GLY 71 4.783 -10.113 1.502
86 1HA GLY 71 HA2 GLY 71 3.148 -11.323 0.215
87 2HA GLY 71 HA3 GLY 71 2.382 -11.805 1.722
88 H GLY 72 H GLY 72 2.692 -9.318 -0.680
89 1HA GLY 72 HA2 GLY 72 1.398 -7.482 -1.157
90 2HA GLY 72 HA3 GLY 72 0.131 -8.280 -0.235
91 H TRP 73 H TRP 73 -0.278 -5.896 0.177
92 HA TRP 73 HA TRP 73 0.879 -5.238 2.765
93 1HB TRP 73 HB2 TRP 73 0.887 -2.745 1.737
94 2HB TRP 73 HB3 TRP 73 2.307 -3.785 1.749
95 HD1 TRP 73 HD1 TRP 73 2.435 -5.391 -0.658
96 HE1 TRP 73 HE1 TRP 73 2.160 -4.531 -3.064
97 HE3 TRP 73 HE3 TRP 73 -0.057 -1.036 0.320
98 HZ2 TRP 73 HZ2 TRP 73 1.042 -2.295 -4.378
99 HZ3 TRP 73 HZ3 TRP 73 -0.691 0.408 -1.568
100 HH2 TRP 73 HH2 TRP 73 -0.152 -0.208 -3.867
101 H GLY 74 H GLY 74 -1.002 -3.279 0.500
102 1HA GLY 74 HA2 GLY 74 -3.209 -3.314 2.462
103 2HA GLY 74 HA3 GLY 74 -2.818 -1.933 1.448
104 H GLN 75 H GLN 75 -2.529 -4.906 -0.171
105 HA GLN 75 HA GLN 75 -4.999 -4.343 -1.637
106 1HB GLN 75 HB2 GLN 75 -4.091 -5.735 -3.396
107 2HB GLN 75 HB3 GLN 75 -2.880 -4.558 -2.904
108 1HG GLN 75 HG2 GLN 75 -1.891 -6.356 -1.446
109 2HG GLN 75 HG3 GLN 75 -2.975 -7.489 -2.253
110 1HE2 GLN 75 HE21 GLN 75 -0.262 -7.831 -2.346
111 2HE2 GLN 75 HE22 GLN 75 0.306 -7.545 -3.952
112 HA PRO 76 HA PRO 76 -7.190 -7.804 -0.014
113 1HB PRO 76 HB2 PRO 76 -8.565 -8.667 -2.202
114 2HB PRO 76 HB3 PRO 76 -8.993 -7.210 -1.299
115 1HG PRO 76 HG2 PRO 76 -7.443 -7.476 -3.845
116 2HG PRO 76 HG3 PRO 76 -8.701 -6.299 -3.417
117 1HD PRO 76 HD2 PRO 76 -6.072 -5.690 -3.339
118 2HD PRO 76 HD3 PRO 76 -7.238 -4.993 -2.196
119 H HIS 77 H HIS 77 -7.058 -10.009 0.207
120 HA HIS 77 HA HIS 77 -4.980 -11.318 -1.384
121 1HB HIS 77 HB2 HIS 77 -5.014 -11.271 1.198
122 2HB HIS 77 HB3 HIS 77 -6.289 -12.477 1.066
123 HD1 HIS 77 HD1 HIS 77 -4.735 -14.226 2.215
124 HD2 HIS 77 HD2 HIS 77 -3.321 -12.780 -1.416
125 HE1 HIS 77 HE1 HIS 77 -2.880 -15.786 1.546
126 HE2 HIS 77 HE2 HIS 77 -1.983 -14.842 -0.611
127 H GLY 78 H GLY 78 -8.386 -11.483 -0.633
128 1HA GLY 78 HA2 GLY 78 -8.619 -13.858 -2.374
129 2HA GLY 78 HA3 GLY 78 -9.750 -13.460 -1.089
130 H GLY 79 H GLY 79 -9.688 -10.579 -1.848
131 1HA GLY 79 HA2 GLY 79 -10.509 -10.218 -4.507
132 2HA GLY 79 HA3 GLY 79 -11.935 -10.568 -3.541
133 H GLY 80 H GLY 80 -11.637 -9.254 -1.260
134 1HA GLY 80 HA2 GLY 80 -10.809 -6.509 -1.866
135 2HA GLY 80 HA3 GLY 80 -12.498 -6.781 -1.462
136 H TRP 81 H TRP 81 -12.145 -5.332 0.320
137 HA TRP 81 HA TRP 81 -11.232 -6.757 2.687
138 1HB TRP 81 HB2 TRP 81 -10.170 -4.353 3.298
139 2HB TRP 81 HB3 TRP 81 -9.240 -5.661 2.576
140 HD1 TRP 81 HD1 TRP 81 -9.311 -5.527 -0.309
141 HE1 TRP 81 HE1 TRP 81 -8.897 -3.437 -1.742
142 HE3 TRP 81 HE3 TRP 81 -10.235 -1.941 3.213
143 HZ2 TRP 81 HZ2 TRP 81 -8.944 -0.630 -1.422
144 HZ3 TRP 81 HZ3 TRP 81 -10.026 0.425 2.569
145 HH2 TRP 81 HH2 TRP 81 -9.394 1.065 0.299
146 H GLY 82 H GLY 82 -11.938 -3.338 2.114
147 1HA GLY 82 HA2 GLY 82 -14.167 -3.574 4.025
148 2HA GLY 82 HA3 GLY 82 -13.262 -2.101 3.708
149 H GLN 83 H GLN 83 -13.408 -2.841 0.741
150 HA GLN 83 HA GLN 83 -15.563 -1.186 0.068
151 1HB GLN 83 HB2 GLN 83 -15.148 -1.827 -2.224
152 2HB GLN 83 HB3 GLN 83 -13.610 -1.636 -1.395
153 1HG GLN 83 HG2 GLN 83 -13.665 -4.153 -1.046
154 2HG GLN 83 HG3 GLN 83 -14.980 -4.172 -2.221
155 1HE2 GLN 83 HE21 GLN 83 -14.516 -4.063 -4.337
156 2HE2 GLN 83 HE22 GLN 83 -12.924 -3.892 -4.988
157 HA PRO 84 HA PRO 84 -19.111 -3.796 0.180
158 1HB PRO 84 HB2 PRO 84 -20.553 -2.868 -1.930
159 2HB PRO 84 HB3 PRO 84 -20.379 -1.977 -0.413
160 1HG PRO 84 HG2 PRO 84 -18.908 -1.625 -2.997
161 2HG PRO 84 HG3 PRO 84 -19.573 -0.390 -1.909
162 1HD PRO 84 HD2 PRO 84 -16.947 -1.033 -1.937
163 2HD PRO 84 HD3 PRO 84 -17.785 -0.529 -0.456
164 H HIS 85 H HIS 85 -19.737 -5.754 -0.564
165 HA HIS 85 HA HIS 85 -18.377 -6.779 -2.937
166 1HB HIS 85 HB2 HIS 85 -19.637 -8.021 -0.527
167 2HB HIS 85 HB3 HIS 85 -19.504 -8.977 -2.000
168 HD1 HIS 85 HD1 HIS 85 -17.767 -10.576 -1.000
169 HD2 HIS 85 HD2 HIS 85 -16.583 -6.594 -0.974
170 HE1 HIS 85 HE1 HIS 85 -15.316 -10.607 -0.437
171 HE2 HIS 85 HE2 HIS 85 -14.641 -8.182 -0.343
172 H GLY 86 H GLY 86 -21.573 -6.071 -1.715
173 1HA GLY 86 HA2 GLY 86 -22.676 -6.881 -4.335
174 2HA GLY 86 HA3 GLY 86 -23.546 -7.145 -2.832
175 H GLY 87 H GLY 87 -22.999 -4.680 -1.578
176 1HA GLY 87 HA2 GLY 87 -23.561 -2.446 -3.209
177 2HA GLY 87 HA3 GLY 87 -25.070 -3.090 -2.579
178 H GLY 88 H GLY 88 -22.186 -1.333 -1.867
179 1HA GLY 88 HA2 GLY 88 -21.573 -0.058 -0.059
180 2HA GLY 88 HA3 GLY 88 -23.281 -0.034 0.360
181 H TRP 89 H TRP 89 -22.172 0.020 2.542
182 HA TRP 89 HA TRP 89 -22.181 -2.686 3.609
183 1HB TRP 89 HB2 TRP 89 -20.087 -1.761 5.036
184 2HB TRP 89 HB3 TRP 89 -19.905 -2.712 3.566
185 HD1 TRP 89 HD1 TRP 89 -19.781 -1.014 1.231
186 HE1 TRP 89 HE1 TRP 89 -18.319 1.080 0.955
187 HE3 TRP 89 HE3 TRP 89 -18.941 0.040 6.162
188 HZ2 TRP 89 HZ2 TRP 89 -16.977 2.935 2.609
189 HZ3 TRP 89 HZ3 TRP 89 -17.555 1.992 6.730
190 HH2 TRP 89 HH2 TRP 89 -16.594 3.408 4.989
191 H GLY 90 H GLY 90 -21.054 0.371 4.987
192 1HA GLY 90 HA2 GLY 90 -23.454 0.421 6.695
193 2HA GLY 90 HA3 GLY 90 -21.856 0.539 7.415
194 H GLN 91 H GLN 91 -22.242 2.035 4.350
195 HA GLN 91 HA GLN 91 -21.520 4.575 5.277
196 1HB GLN 91 HB2 GLN 91 -22.378 5.330 2.988
197 2HB GLN 91 HB3 GLN 91 -21.090 4.134 3.009
198 1HG GLN 91 HG2 GLN 91 -22.541 2.397 2.407
199 2HG GLN 91 HG3 GLN 91 -23.974 3.348 2.794
200 1HE2 GLN 91 HE21 GLN 91 -24.157 2.253 0.474
201 2HE2 GLN 91 HE22 GLN 91 -23.819 3.339 -0.826
Start of MODEL 2
1 H TRP 57 H TRP 57 12.140 -1.100 -17.474
2 HA TRP 57 HA TRP 57 11.023 0.080 -15.685
3 1HB TRP 57 HB2 TRP 57 11.175 -2.401 -15.868
4 2HB TRP 57 HB3 TRP 57 12.616 -2.358 -14.857
5 HD1 TRP 57 HD1 TRP 57 11.977 -3.215 -12.537
6 HE1 TRP 57 HE1 TRP 57 10.023 -2.848 -10.903
7 HE3 TRP 57 HE3 TRP 57 9.052 -0.186 -15.437
8 HZ2 TRP 57 HZ2 TRP 57 7.567 -1.457 -10.851
9 HZ3 TRP 57 HZ3 TRP 57 6.916 0.619 -14.521
10 HH2 TRP 57 HH2 TRP 57 6.189 -0.004 -12.274
11 H GLY 58 H GLY 58 11.099 0.894 -13.556
12 1HA GLY 58 HA2 GLY 58 13.342 2.455 -12.931
13 2HA GLY 58 HA3 GLY 58 12.009 2.114 -11.838
14 H GLN 59 H GLN 59 12.300 -0.676 -11.672
15 HA GLN 59 HA GLN 59 13.295 -2.221 -10.350
16 1HB GLN 59 HB2 GLN 59 15.528 -2.797 -10.863
17 2HB GLN 59 HB3 GLN 59 14.853 -2.135 -12.341
18 1HG GLN 59 HG2 GLN 59 16.156 -0.249 -12.257
19 2HG GLN 59 HG3 GLN 59 16.365 -0.337 -10.510
20 1HE2 GLN 59 HE21 GLN 59 17.521 -2.442 -9.821
21 2HE2 GLN 59 HE22 GLN 59 18.946 -2.824 -10.719
22 HA PRO 60 HA PRO 60 14.382 -0.420 -6.488
23 1HB PRO 60 HB2 PRO 60 15.658 -2.458 -5.246
24 2HB PRO 60 HB3 PRO 60 13.916 -2.468 -5.548
25 1HG PRO 60 HG2 PRO 60 16.112 -3.811 -7.077
26 2HG PRO 60 HG3 PRO 60 14.524 -4.446 -6.608
27 1HD PRO 60 HD2 PRO 60 15.058 -3.506 -9.099
28 2HD PRO 60 HD3 PRO 60 13.450 -3.401 -8.355
29 H HIS 61 H HIS 61 15.989 0.753 -5.560
30 HA HIS 61 HA HIS 61 18.573 0.744 -6.899
31 1HB HIS 61 HB2 HIS 61 17.211 2.850 -6.384
32 2HB HIS 61 HB3 HIS 61 17.703 2.623 -4.709
33 HD1 HIS 61 HD1 HIS 61 19.091 4.791 -4.693
34 HD2 HIS 61 HD2 HIS 61 20.313 2.029 -7.548
35 HE1 HIS 61 HE1 HIS 61 21.323 5.612 -5.510
36 HE2 HIS 61 HE2 HIS 61 22.082 3.878 -7.172
37 H GLY 62 H GLY 62 17.158 -0.030 -3.799
38 1HA GLY 62 HA2 GLY 62 19.826 -0.915 -2.885
39 2HA GLY 62 HA3 GLY 62 18.677 -0.146 -1.799
40 H GLY 63 H GLY 63 16.326 -1.431 -2.625
41 1HA GLY 63 HA2 GLY 63 16.568 -4.244 -2.742
42 2HA GLY 63 HA3 GLY 63 16.374 -3.747 -1.068
43 H GLY 64 H GLY 64 14.830 -4.208 -4.113
44 1HA GLY 64 HA2 GLY 64 12.619 -4.221 -4.728
45 2HA GLY 64 HA3 GLY 64 12.262 -4.404 -3.015
46 H TRP 65 H TRP 65 10.361 -3.102 -3.848
47 HA TRP 65 HA TRP 65 10.852 -0.308 -3.209
48 1HB TRP 65 HB2 TRP 65 9.153 0.110 -5.259
49 2HB TRP 65 HB3 TRP 65 10.903 0.194 -5.428
50 HD1 TRP 65 HD1 TRP 65 12.016 -2.367 -6.149
51 HE1 TRP 65 HE1 TRP 65 11.159 -3.932 -7.998
52 HE3 TRP 65 HE3 TRP 65 7.247 -0.576 -6.573
53 HZ2 TRP 65 HZ2 TRP 65 8.775 -4.350 -9.454
54 HZ3 TRP 65 HZ3 TRP 65 5.742 -1.614 -8.221
55 HH2 TRP 65 HH2 TRP 65 6.491 -3.461 -9.631
56 H GLY 66 H GLY 66 8.098 -1.940 -4.716
57 1HA GLY 66 HA2 GLY 66 6.493 -1.198 -2.358
58 2HA GLY 66 HA3 GLY 66 5.855 -1.400 -3.982
59 H GLN 67 H GLN 67 7.672 -3.878 -4.166
60 HA GLN 67 HA GLN 67 5.711 -5.797 -3.649
61 1HB GLN 67 HB2 GLN 67 7.411 -7.451 -4.100
62 2HB GLN 67 HB3 GLN 67 7.628 -6.098 -5.201
63 1HG GLN 67 HG2 GLN 67 9.370 -5.237 -3.579
64 2HG GLN 67 HG3 GLN 67 9.269 -6.812 -2.793
65 1HE2 GLN 67 HE21 GLN 67 9.932 -8.661 -3.942
66 2HE2 GLN 67 HE22 GLN 67 11.002 -8.542 -5.294
67 HA PRO 68 HA PRO 68 5.992 -6.645 0.665
68 1HB PRO 68 HB2 PRO 68 5.514 -9.320 0.737
69 2HB PRO 68 HB3 PRO 68 4.255 -8.123 0.411
70 1HG PRO 68 HG2 PRO 68 5.796 -9.825 -1.508
71 2HG PRO 68 HG3 PRO 68 4.067 -9.432 -1.499
72 1HD PRO 68 HD2 PRO 68 5.836 -8.187 -3.128
73 2HD PRO 68 HD3 PRO 68 4.401 -7.371 -2.474
74 H HIS 69 H HIS 69 7.357 -7.449 2.264
75 HA HIS 69 HA HIS 69 9.932 -8.423 1.285
76 1HB HIS 69 HB2 HIS 69 10.707 -7.868 3.612
77 2HB HIS 69 HB3 HIS 69 10.097 -6.493 2.697
78 HD1 HIS 69 HD1 HIS 69 7.865 -5.439 3.486
79 HD2 HIS 69 HD2 HIS 69 9.209 -8.573 5.861
80 HE1 HIS 69 HE1 HIS 69 6.485 -5.332 5.585
81 HE2 HIS 69 HE2 HIS 69 7.375 -7.184 7.042
82 H GLY 70 H GLY 70 7.233 -9.370 3.291
83 1HA GLY 70 HA2 GLY 70 8.256 -12.097 3.330
84 2HA GLY 70 HA3 GLY 70 8.021 -11.339 4.897
85 H GLY 71 H GLY 71 5.926 -10.614 2.207
86 1HA GLY 71 HA2 GLY 71 3.973 -12.536 2.398
87 2HA GLY 71 HA3 GLY 71 3.619 -11.413 3.702
88 H GLY 72 H GLY 72 2.443 -9.655 3.251
89 1HA GLY 72 HA2 GLY 72 2.156 -8.899 0.407
90 2HA GLY 72 HA3 GLY 72 0.774 -8.997 1.488
91 H TRP 73 H TRP 73 0.343 -6.790 0.918
92 HA TRP 73 HA TRP 73 1.742 -4.938 2.673
93 1HB TRP 73 HB2 TRP 73 1.527 -3.303 0.533
94 2HB TRP 73 HB3 TRP 73 2.989 -4.203 0.920
95 HD1 TRP 73 HD1 TRP 73 3.009 -6.786 -0.353
96 HE1 TRP 73 HE1 TRP 73 2.450 -7.280 -2.811
97 HE3 TRP 73 HE3 TRP 73 0.311 -2.578 -1.426
98 HZ2 TRP 73 HZ2 TRP 73 1.054 -6.043 -4.934
99 HZ3 TRP 73 HZ3 TRP 73 -0.599 -2.310 -3.697
100 HH2 TRP 73 HH2 TRP 73 -0.235 -4.007 -5.413
101 H GLY 74 H GLY 74 -0.454 -4.375 -0.042
102 1HA GLY 74 HA2 GLY 74 -2.410 -3.307 1.892
103 2HA GLY 74 HA3 GLY 74 -2.227 -2.731 0.242
104 H GLN 75 H GLN 75 -1.894 -5.774 -0.409
105 HA GLN 75 HA GLN 75 -4.441 -6.181 -1.453
106 1HB GLN 75 HB2 GLN 75 -3.746 -8.452 -1.902
107 2HB GLN 75 HB3 GLN 75 -2.392 -7.369 -2.193
108 1HG GLN 75 HG2 GLN 75 -1.564 -7.948 0.102
109 2HG GLN 75 HG3 GLN 75 -2.816 -9.189 0.160
110 1HE2 GLN 75 HE21 GLN 75 -2.142 -11.130 -0.363
111 2HE2 GLN 75 HE22 GLN 75 -0.857 -11.510 -1.454
112 HA PRO 76 HA PRO 76 -6.953 -7.580 1.885
113 1HB PRO 76 HB2 PRO 76 -8.497 -9.464 0.664
114 2HB PRO 76 HB3 PRO 76 -8.718 -7.727 0.428
115 1HG PRO 76 HG2 PRO 76 -7.302 -9.710 -1.309
116 2HG PRO 76 HG3 PRO 76 -8.397 -8.395 -1.775
117 1HD PRO 76 HD2 PRO 76 -5.713 -8.174 -1.974
118 2HD PRO 76 HD3 PRO 76 -6.750 -6.787 -1.583
119 H HIS 77 H HIS 77 -7.447 -9.403 3.254
120 HA HIS 77 HA HIS 77 -5.445 -11.548 3.019
121 1HB HIS 77 HB2 HIS 77 -5.210 -10.108 5.010
122 2HB HIS 77 HB3 HIS 77 -6.851 -10.525 5.495
123 HD1 HIS 77 HD1 HIS 77 -3.417 -11.536 5.950
124 HD2 HIS 77 HD2 HIS 77 -7.113 -13.431 6.025
125 HE1 HIS 77 HE1 HIS 77 -3.036 -13.703 7.166
126 HE2 HIS 77 HE2 HIS 77 -5.305 -14.791 7.279
127 H GLY 78 H GLY 78 -8.835 -10.832 3.450
128 1HA GLY 78 HA2 GLY 78 -9.408 -13.702 3.106
129 2HA GLY 78 HA3 GLY 78 -10.241 -12.779 4.348
130 H GLY 79 H GLY 79 -9.453 -11.342 1.273
131 1HA GLY 79 HA2 GLY 79 -10.893 -11.324 -0.661
132 2HA GLY 79 HA3 GLY 79 -12.247 -11.682 0.401
133 H GLY 80 H GLY 80 -10.163 -9.208 -0.871
134 1HA GLY 80 HA2 GLY 80 -10.364 -6.922 -0.931
135 2HA GLY 80 HA3 GLY 80 -12.080 -7.183 -0.650
136 H TRP 81 H TRP 81 -11.643 -5.052 0.478
137 HA TRP 81 HA TRP 81 -11.318 -5.605 3.318
138 1HB TRP 81 HB2 TRP 81 -9.974 -3.268 3.263
139 2HB TRP 81 HB3 TRP 81 -9.178 -4.837 3.214
140 HD1 TRP 81 HD1 TRP 81 -8.845 -5.743 0.482
141 HE1 TRP 81 HE1 TRP 81 -7.894 -4.362 -1.463
142 HE3 TRP 81 HE3 TRP 81 -9.607 -1.056 2.374
143 HZ2 TRP 81 HZ2 TRP 81 -7.506 -1.640 -2.110
144 HZ3 TRP 81 HZ3 TRP 81 -8.915 0.885 1.028
145 HH2 TRP 81 HH2 TRP 81 -7.886 0.596 -1.167
146 H GLY 82 H GLY 82 -11.351 -2.549 1.538
147 1HA GLY 82 HA2 GLY 82 -13.983 -1.980 2.755
148 2HA GLY 82 HA3 GLY 82 -12.728 -0.765 2.575
149 H GLN 83 H GLN 83 -12.976 -2.955 -0.034
150 HA GLN 83 HA GLN 83 -13.881 -0.838 -1.775
151 1HB GLN 83 HB2 GLN 83 -13.407 -2.389 -3.585
152 2HB GLN 83 HB3 GLN 83 -12.065 -2.368 -2.449
153 1HG GLN 83 HG2 GLN 83 -12.976 -4.438 -1.424
154 2HG GLN 83 HG3 GLN 83 -14.193 -4.479 -2.700
155 1HE2 GLN 83 HE21 GLN 83 -10.739 -4.584 -2.055
156 2HE2 GLN 83 HE22 GLN 83 -10.310 -5.453 -3.485
157 HA PRO 84 HA PRO 84 -18.161 -1.831 -2.038
158 1HB PRO 84 HB2 PRO 84 -18.613 -1.574 -4.735
159 2HB PRO 84 HB3 PRO 84 -18.483 -0.213 -3.617
160 1HG PRO 84 HG2 PRO 84 -16.424 -1.359 -5.458
161 2HG PRO 84 HG3 PRO 84 -16.783 0.339 -5.095
162 1HD PRO 84 HD2 PRO 84 -14.685 -0.932 -3.993
163 2HD PRO 84 HD3 PRO 84 -15.610 0.293 -3.100
164 H HIS 85 H HIS 85 -19.652 -3.434 -2.708
165 HA HIS 85 HA HIS 85 -18.372 -5.848 -3.800
166 1HB HIS 85 HB2 HIS 85 -19.593 -5.620 -1.406
167 2HB HIS 85 HB3 HIS 85 -20.974 -6.074 -2.397
168 HD1 HIS 85 HD1 HIS 85 -21.338 -8.477 -1.902
169 HD2 HIS 85 HD2 HIS 85 -17.323 -7.606 -2.523
170 HE1 HIS 85 HE1 HIS 85 -20.154 -10.695 -1.850
171 HE2 HIS 85 HE2 HIS 85 -17.715 -10.134 -2.142
172 H GLY 86 H GLY 86 -21.081 -3.661 -4.091
173 1HA GLY 86 HA2 GLY 86 -22.099 -5.243 -6.363
174 2HA GLY 86 HA3 GLY 86 -23.047 -4.088 -5.439
175 H GLY 87 H GLY 87 -21.899 -1.795 -5.453
176 1HA GLY 87 HA2 GLY 87 -20.532 -1.118 -7.881
177 2HA GLY 87 HA3 GLY 87 -22.230 -0.671 -7.926
178 H GLY 88 H GLY 88 -20.350 -0.631 -4.975
179 1HA GLY 88 HA2 GLY 88 -19.115 1.584 -4.551
180 2HA GLY 88 HA3 GLY 88 -20.682 2.295 -4.911
181 H TRP 89 H TRP 89 -20.377 3.222 -2.742
182 HA TRP 89 HA TRP 89 -21.647 1.516 -0.754
183 1HB TRP 89 HB2 TRP 89 -19.869 2.707 0.888
184 2HB TRP 89 HB3 TRP 89 -19.616 1.113 0.188
185 HD1 TRP 89 HD1 TRP 89 -18.248 1.296 -2.354
186 HE1 TRP 89 HE1 TRP 89 -16.132 2.668 -2.840
187 HE3 TRP 89 HE3 TRP 89 -18.532 4.614 1.524
188 HZ2 TRP 89 HZ2 TRP 89 -14.755 4.868 -1.722
189 HZ3 TRP 89 HZ3 TRP 89 -16.773 6.321 1.745
190 HH2 TRP 89 HH2 TRP 89 -14.924 6.443 0.155
191 H GLY 90 H GLY 90 -19.972 4.616 -0.450
192 1HA GLY 90 HA2 GLY 90 -22.591 5.925 -0.098
193 2HA GLY 90 HA3 GLY 90 -21.307 6.168 1.076
194 H GLN 91 H GLN 91 -20.330 5.850 -2.200
195 HA GLN 91 HA GLN 91 -19.494 8.633 -2.219
196 1HB GLN 91 HB2 GLN 91 -18.338 7.936 -4.362
197 2HB GLN 91 HB3 GLN 91 -17.800 7.120 -2.901
198 1HG GLN 91 HG2 GLN 91 -18.960 5.139 -3.470
199 2HG GLN 91 HG3 GLN 91 -19.841 5.947 -4.766
200 1HE2 GLN 91 HE21 GLN 91 -17.782 3.650 -4.472
201 2HE2 GLN 91 HE22 GLN 91 -16.685 3.949 -5.772
Start of MODEL 3
1 H TRP 57 H TRP 57 15.956 5.728 -13.942
2 HA TRP 57 HA TRP 57 13.684 5.406 -12.973
3 1HB TRP 57 HB2 TRP 57 13.124 3.483 -14.414
4 2HB TRP 57 HB3 TRP 57 14.420 2.551 -13.669
5 HD1 TRP 57 HD1 TRP 57 13.346 0.804 -12.147
6 HE1 TRP 57 HE1 TRP 57 11.450 0.783 -10.406
7 HE3 TRP 57 HE3 TRP 57 11.719 5.625 -12.660
8 HZ2 TRP 57 HZ2 TRP 57 9.521 2.575 -9.386
9 HZ3 TRP 57 HZ3 TRP 57 9.844 6.391 -11.264
10 HH2 TRP 57 HH2 TRP 57 8.767 4.896 -9.662
11 H GLY 58 H GLY 58 13.663 4.909 -10.737
12 1HA GLY 58 HA2 GLY 58 16.133 5.172 -9.431
13 2HA GLY 58 HA3 GLY 58 14.618 4.730 -8.658
14 H GLN 59 H GLN 59 14.015 2.327 -9.688
15 HA GLN 59 HA GLN 59 14.367 0.117 -9.351
16 1HB GLN 59 HB2 GLN 59 16.238 -0.850 -10.423
17 2HB GLN 59 HB3 GLN 59 15.863 0.604 -11.332
18 1HG GLN 59 HG2 GLN 59 17.765 1.688 -10.649
19 2HG GLN 59 HG3 GLN 59 17.914 0.734 -9.174
20 1HE2 GLN 59 HE21 GLN 59 20.184 0.757 -10.082
21 2HE2 GLN 59 HE22 GLN 59 20.614 -0.557 -11.118
22 HA PRO 60 HA PRO 60 16.031 -0.541 -5.333
23 1HB PRO 60 HB2 PRO 60 16.421 -3.215 -5.306
24 2HB PRO 60 HB3 PRO 60 14.808 -2.493 -5.306
25 1HG PRO 60 HG2 PRO 60 16.365 -3.654 -7.582
26 2HG PRO 60 HG3 PRO 60 14.644 -3.839 -7.193
27 1HD PRO 60 HD2 PRO 60 15.566 -2.114 -9.087
28 2HD PRO 60 HD3 PRO 60 14.083 -1.830 -8.156
29 H HIS 61 H HIS 61 17.946 -0.715 -4.216
30 HA HIS 61 HA HIS 61 20.353 -0.839 -5.844
31 1HB HIS 61 HB2 HIS 61 20.077 0.998 -4.223
32 2HB HIS 61 HB3 HIS 61 20.010 -0.175 -2.911
33 HD1 HIS 61 HD1 HIS 61 22.113 1.192 -1.975
34 HD2 HIS 61 HD2 HIS 61 22.751 -0.976 -5.462
35 HE1 HIS 61 HE1 HIS 61 24.611 1.013 -2.209
36 HE2 HIS 61 HE2 HIS 61 24.971 -0.377 -4.278
37 H GLY 62 H GLY 62 18.700 -2.681 -3.380
38 1HA GLY 62 HA2 GLY 62 20.306 -4.991 -3.943
39 2HA GLY 62 HA3 GLY 62 20.651 -4.308 -2.361
40 H GLY 63 H GLY 63 17.474 -4.221 -3.840
41 1HA GLY 63 HA2 GLY 63 16.436 -6.582 -2.707
42 2HA GLY 63 HA3 GLY 63 16.171 -5.255 -1.585
43 H GLY 64 H GLY 64 14.730 -3.600 -2.125
44 1HA GLY 64 HA2 GLY 64 13.345 -3.700 -4.677
45 2HA GLY 64 HA3 GLY 64 12.375 -4.158 -3.283
46 H TRP 65 H TRP 65 11.020 -2.351 -3.819
47 HA TRP 65 HA TRP 65 11.937 0.093 -2.532
48 1HB TRP 65 HB2 TRP 65 10.652 1.247 -4.605
49 2HB TRP 65 HB3 TRP 65 12.392 0.994 -4.571
50 HD1 TRP 65 HD1 TRP 65 13.096 -1.571 -5.701
51 HE1 TRP 65 HE1 TRP 65 12.243 -2.537 -7.922
52 HE3 TRP 65 HE3 TRP 65 8.872 1.257 -6.238
53 HZ2 TRP 65 HZ2 TRP 65 10.067 -2.144 -9.682
54 HZ3 TRP 65 HZ3 TRP 65 7.461 0.901 -8.222
55 HH2 TRP 65 HH2 TRP 65 8.048 -0.766 -9.907
56 H GLY 66 H GLY 66 9.165 -0.562 -4.628
57 1HA GLY 66 HA2 GLY 66 7.411 0.017 -2.330
58 2HA GLY 66 HA3 GLY 66 6.986 0.295 -4.012
59 H GLN 67 H GLN 67 8.277 -2.413 -4.620
60 HA GLN 67 HA GLN 67 5.922 -3.924 -4.690
61 1HB GLN 67 HB2 GLN 67 7.314 -5.775 -5.410
62 2HB GLN 67 HB3 GLN 67 7.855 -4.292 -6.184
63 1HG GLN 67 HG2 GLN 67 9.587 -4.140 -4.333
64 2HG GLN 67 HG3 GLN 67 9.154 -5.805 -3.946
65 1HE2 GLN 67 HE21 GLN 67 9.717 -3.968 -6.934
66 2HE2 GLN 67 HE22 GLN 67 10.839 -5.091 -7.615
67 HA PRO 68 HA PRO 68 5.518 -5.754 -0.707
68 1HB PRO 68 HB2 PRO 68 4.750 -8.304 -1.355
69 2HB PRO 68 HB3 PRO 68 3.671 -6.907 -1.402
70 1HG PRO 68 HG2 PRO 68 5.142 -8.241 -3.636
71 2HG PRO 68 HG3 PRO 68 3.482 -7.616 -3.602
72 1HD PRO 68 HD2 PRO 68 5.494 -6.256 -4.766
73 2HD PRO 68 HD3 PRO 68 4.166 -5.431 -3.924
74 H HIS 69 H HIS 69 6.519 -7.158 0.772
75 HA HIS 69 HA HIS 69 9.008 -8.370 -0.222
76 1HB HIS 69 HB2 HIS 69 9.038 -6.478 1.530
77 2HB HIS 69 HB3 HIS 69 8.444 -7.692 2.658
78 HD1 HIS 69 HD1 HIS 69 10.742 -7.266 3.939
79 HD2 HIS 69 HD2 HIS 69 11.062 -9.052 0.202
80 HE1 HIS 69 HE1 HIS 69 13.058 -8.240 3.857
81 HE2 HIS 69 HE2 HIS 69 13.260 -9.240 1.553
82 H GLY 70 H GLY 70 6.086 -8.948 1.600
83 1HA GLY 70 HA2 GLY 70 6.946 -11.729 2.079
84 2HA GLY 70 HA3 GLY 70 5.697 -10.892 2.990
85 H GLY 71 H GLY 71 3.871 -10.030 1.432
86 1HA GLY 71 HA2 GLY 71 3.316 -11.697 -0.844
87 2HA GLY 71 HA3 GLY 71 2.365 -12.137 0.566
88 H GLY 72 H GLY 72 3.327 -8.836 -0.070
89 1HA GLY 72 HA2 GLY 72 1.701 -7.537 -1.577
90 2HA GLY 72 HA3 GLY 72 0.484 -8.183 -0.485
91 H TRP 73 H TRP 73 0.001 -5.876 -0.190
92 HA TRP 73 HA TRP 73 1.479 -4.839 2.095
93 1HB TRP 73 HB2 TRP 73 1.117 -2.494 0.808
94 2HB TRP 73 HB3 TRP 73 2.606 -3.428 0.710
95 HD1 TRP 73 HD1 TRP 73 2.504 -5.309 -1.491
96 HE1 TRP 73 HE1 TRP 73 1.799 -4.777 -3.901
97 HE3 TRP 73 HE3 TRP 73 -0.170 -1.039 -0.624
98 HZ2 TRP 73 HZ2 TRP 73 0.310 -2.800 -5.265
99 HZ3 TRP 73 HZ3 TRP 73 -1.202 0.114 -2.537
100 HH2 TRP 73 HH2 TRP 73 -0.965 -0.750 -4.809
101 H GLY 74 H GLY 74 -0.886 -3.304 -0.040
102 1HA GLY 74 HA2 GLY 74 -2.770 -3.273 2.237
103 2HA GLY 74 HA3 GLY 74 -2.629 -1.964 1.072
104 H GLN 75 H GLN 75 -2.363 -5.054 -0.325
105 HA GLN 75 HA GLN 75 -4.986 -4.733 -1.548
106 1HB GLN 75 HB2 GLN 75 -4.255 -6.407 -3.141
107 2HB GLN 75 HB3 GLN 75 -3.005 -5.183 -2.964
108 1HG GLN 75 HG2 GLN 75 -1.856 -6.725 -1.358
109 2HG GLN 75 HG3 GLN 75 -3.029 -7.959 -1.817
110 1HE2 GLN 75 HE21 GLN 75 -1.061 -5.553 -3.537
111 2HE2 GLN 75 HE22 GLN 75 -0.409 -6.662 -4.691
112 HA PRO 76 HA PRO 76 -7.052 -7.839 0.791
113 1HB PRO 76 HB2 PRO 76 -8.573 -9.056 -1.126
114 2HB PRO 76 HB3 PRO 76 -8.955 -7.480 -0.427
115 1HG PRO 76 HG2 PRO 76 -7.602 -8.127 -3.016
116 2HG PRO 76 HG3 PRO 76 -8.834 -6.897 -2.672
117 1HD PRO 76 HD2 PRO 76 -6.220 -6.278 -2.900
118 2HD PRO 76 HD3 PRO 76 -7.295 -5.426 -1.771
119 H HIS 77 H HIS 77 -7.000 -10.023 1.317
120 HA HIS 77 HA HIS 77 -5.005 -11.589 -0.156
121 1HB HIS 77 HB2 HIS 77 -4.738 -11.143 2.326
122 2HB HIS 77 HB3 HIS 77 -6.133 -12.187 2.581
123 HD1 HIS 77 HD1 HIS 77 -4.031 -13.399 3.989
124 HD2 HIS 77 HD2 HIS 77 -4.144 -13.787 -0.147
125 HE1 HIS 77 HE1 HIS 77 -2.590 -15.391 3.460
126 HE2 HIS 77 HE2 HIS 77 -2.743 -15.659 0.960
127 H GLY 78 H GLY 78 -8.344 -11.581 0.869
128 1HA GLY 78 HA2 GLY 78 -8.711 -14.240 -0.356
129 2HA GLY 78 HA3 GLY 78 -9.783 -13.533 0.844
130 H GLY 79 H GLY 79 -9.669 -10.890 -0.529
131 1HA GLY 79 HA2 GLY 79 -10.465 -10.920 -3.161
132 2HA GLY 79 HA3 GLY 79 -11.916 -11.307 -2.248
133 H GLY 80 H GLY 80 -11.122 -9.641 0.036
134 1HA GLY 80 HA2 GLY 80 -10.860 -6.949 -0.961
135 2HA GLY 80 HA3 GLY 80 -12.490 -7.338 -0.430
136 H TRP 81 H TRP 81 -12.118 -5.595 1.111
137 HA TRP 81 HA TRP 81 -11.020 -6.650 3.594
138 1HB TRP 81 HB2 TRP 81 -10.098 -4.125 3.837
139 2HB TRP 81 HB3 TRP 81 -9.113 -5.458 3.245
140 HD1 TRP 81 HD1 TRP 81 -9.333 -5.713 0.370
141 HE1 TRP 81 HE1 TRP 81 -9.110 -3.810 -1.338
142 HE3 TRP 81 HE3 TRP 81 -10.300 -1.750 3.450
143 HZ2 TRP 81 HZ2 TRP 81 -9.309 -0.991 -1.377
144 HZ3 TRP 81 HZ3 TRP 81 -10.261 0.518 2.498
145 HH2 TRP 81 HH2 TRP 81 -9.775 0.888 0.135
146 H GLY 82 H GLY 82 -11.952 -3.366 2.671
147 1HA GLY 82 HA2 GLY 82 -14.213 -3.586 4.560
148 2HA GLY 82 HA3 GLY 82 -13.273 -2.118 4.337
149 H GLN 83 H GLN 83 -13.839 -3.798 1.437
150 HA GLN 83 HA GLN 83 -15.644 -1.709 0.551
151 1HB GLN 83 HB2 GLN 83 -15.302 -2.608 -1.672
152 2HB GLN 83 HB3 GLN 83 -13.750 -2.446 -0.863
153 1HG GLN 83 HG2 GLN 83 -13.914 -4.885 -0.287
154 2HG GLN 83 HG3 GLN 83 -15.313 -4.963 -1.357
155 1HE2 GLN 83 HE21 GLN 83 -14.461 -6.263 -2.900
156 2HE2 GLN 83 HE22 GLN 83 -13.127 -5.823 -3.906
157 HA PRO 84 HA PRO 84 -19.421 -3.950 0.894
158 1HB PRO 84 HB2 PRO 84 -20.728 -3.181 -1.377
159 2HB PRO 84 HB3 PRO 84 -20.542 -2.144 0.042
160 1HG PRO 84 HG2 PRO 84 -18.966 -2.179 -2.502
161 2HG PRO 84 HG3 PRO 84 -19.564 -0.791 -1.574
162 1HD PRO 84 HD2 PRO 84 -16.999 -1.607 -1.434
163 2HD PRO 84 HD3 PRO 84 -17.845 -0.917 -0.035
164 H HIS 85 H HIS 85 -20.632 -5.708 0.042
165 HA HIS 85 HA HIS 85 -19.105 -7.325 -1.864
166 1HB HIS 85 HB2 HIS 85 -20.073 -8.020 0.556
167 2HB HIS 85 HB3 HIS 85 -21.435 -8.494 -0.453
168 HD1 HIS 85 HD1 HIS 85 -20.652 -10.098 -2.580
169 HD2 HIS 85 HD2 HIS 85 -18.184 -9.940 0.760
170 HE1 HIS 85 HE1 HIS 85 -19.196 -12.143 -2.723
171 HE2 HIS 85 HE2 HIS 85 -17.770 -12.071 -0.647
172 H GLY 86 H GLY 86 -22.210 -5.799 -1.389
173 1HA GLY 86 HA2 GLY 86 -23.093 -6.855 -4.002
174 2HA GLY 86 HA3 GLY 86 -24.183 -6.359 -2.716
175 H GLY 87 H GLY 87 -22.502 -3.967 -2.139
176 1HA GLY 87 HA2 GLY 87 -22.144 -2.286 -4.298
177 2HA GLY 87 HA3 GLY 87 -23.850 -2.169 -3.895
178 H GLY 88 H GLY 88 -23.399 -2.566 -1.032
179 1HA GLY 88 HA2 GLY 88 -21.686 -0.393 -0.186
180 2HA GLY 88 HA3 GLY 88 -23.404 -0.046 -0.056
181 H TRP 89 H TRP 89 -22.933 0.183 2.235
182 HA TRP 89 HA TRP 89 -23.301 -2.353 3.615
183 1HB TRP 89 HB2 TRP 89 -21.569 -1.246 5.365
184 2HB TRP 89 HB3 TRP 89 -21.084 -2.397 4.124
185 HD1 TRP 89 HD1 TRP 89 -20.350 -1.049 1.677
186 HE1 TRP 89 HE1 TRP 89 -18.785 0.976 1.472
187 HE3 TRP 89 HE3 TRP 89 -20.647 0.690 6.474
188 HZ2 TRP 89 HZ2 TRP 89 -17.795 3.041 3.127
189 HZ3 TRP 89 HZ3 TRP 89 -19.358 2.696 7.083
190 HH2 TRP 89 HH2 TRP 89 -17.961 3.846 5.442
191 H GLY 90 H GLY 90 -22.412 0.854 4.815
192 1HA GLY 90 HA2 GLY 90 -25.146 1.155 5.873
193 2HA GLY 90 HA3 GLY 90 -23.760 1.355 6.935
194 H GLN 91 H GLN 91 -23.333 2.428 3.706
195 HA GLN 91 HA GLN 91 -22.760 5.065 4.448
196 1HB GLN 91 HB2 GLN 91 -22.999 5.510 1.940
197 2HB GLN 91 HB3 GLN 91 -21.802 4.319 2.434
198 1HG GLN 91 HG2 GLN 91 -23.128 2.525 1.720
199 2HG GLN 91 HG3 GLN 91 -24.574 3.529 1.611
200 1HE2 GLN 91 HE21 GLN 91 -24.045 2.029 -0.502
201 2HE2 GLN 91 HE22 GLN 91 -23.422 2.967 -1.813
Start of MODEL 4
1 H TRP 57 H TRP 57 12.781 5.791 -8.598
2 HA TRP 57 HA TRP 57 14.679 5.525 -9.837
3 1HB TRP 57 HB2 TRP 57 16.056 5.253 -7.683
4 2HB TRP 57 HB3 TRP 57 15.716 3.532 -7.824
5 HD1 TRP 57 HD1 TRP 57 16.515 5.742 -10.866
6 HE1 TRP 57 HE1 TRP 57 18.721 4.920 -11.908
7 HE3 TRP 57 HE3 TRP 57 17.843 2.286 -7.339
8 HZ2 TRP 57 HZ2 TRP 57 20.754 3.054 -11.315
9 HZ3 TRP 57 HZ3 TRP 57 19.933 1.025 -7.651
10 HH2 TRP 57 HH2 TRP 57 21.357 1.401 -9.599
11 H GLY 58 H GLY 58 15.177 3.751 -11.301
12 1HA GLY 58 HA2 GLY 58 12.960 2.131 -11.852
13 2HA GLY 58 HA3 GLY 58 14.556 1.938 -12.561
14 H GLN 59 H GLN 59 16.172 0.766 -11.219
15 HA GLN 59 HA GLN 59 14.920 -1.602 -10.098
16 1HB GLN 59 HB2 GLN 59 17.132 -2.590 -10.176
17 2HB GLN 59 HB3 GLN 59 16.784 -1.805 -11.711
18 1HG GLN 59 HG2 GLN 59 18.061 0.197 -10.770
19 2HG GLN 59 HG3 GLN 59 18.640 -0.919 -9.534
20 1HE2 GLN 59 HE21 GLN 59 18.827 0.044 -12.835
21 2HE2 GLN 59 HE22 GLN 59 20.136 -0.989 -13.289
22 HA PRO 60 HA PRO 60 15.473 -0.640 -5.837
23 1HB PRO 60 HB2 PRO 60 16.248 -3.065 -4.827
24 2HB PRO 60 HB3 PRO 60 14.582 -2.666 -5.258
25 1HG PRO 60 HG2 PRO 60 16.628 -4.192 -6.815
26 2HG PRO 60 HG3 PRO 60 14.898 -4.525 -6.608
27 1HD PRO 60 HD2 PRO 60 15.876 -3.385 -8.845
28 2HD PRO 60 HD3 PRO 60 14.279 -2.962 -8.195
29 H HIS 61 H HIS 61 17.033 -0.138 -4.306
30 HA HIS 61 HA HIS 61 19.804 -0.403 -5.238
31 1HB HIS 61 HB2 HIS 61 18.707 1.879 -4.744
32 2HB HIS 61 HB3 HIS 61 18.883 1.442 -3.047
33 HD1 HIS 61 HD1 HIS 61 20.540 3.454 -2.779
34 HD2 HIS 61 HD2 HIS 61 21.826 0.464 -5.363
35 HE1 HIS 61 HE1 HIS 61 22.991 3.885 -3.138
36 HE2 HIS 61 HE2 HIS 61 23.767 2.011 -4.635
37 H GLY 62 H GLY 62 17.859 -2.113 -3.335
38 1HA GLY 62 HA2 GLY 62 19.341 -3.833 -2.114
39 2HA GLY 62 HA3 GLY 62 19.798 -2.439 -1.147
40 H GLY 63 H GLY 63 16.611 -3.363 -2.418
41 1HA GLY 63 HA2 GLY 63 15.436 -4.608 -0.330
42 2HA GLY 63 HA3 GLY 63 15.446 -2.932 0.196
43 H GLY 64 H GLY 64 14.949 -4.242 -3.066
44 1HA GLY 64 HA2 GLY 64 13.216 -3.965 -4.549
45 2HA GLY 64 HA3 GLY 64 12.170 -4.132 -3.146
46 H TRP 65 H TRP 65 10.737 -2.641 -4.176
47 HA TRP 65 HA TRP 65 11.401 0.121 -3.541
48 1HB TRP 65 HB2 TRP 65 10.172 0.586 -5.900
49 2HB TRP 65 HB3 TRP 65 11.921 0.500 -5.723
50 HD1 TRP 65 HD1 TRP 65 12.883 -2.190 -6.112
51 HE1 TRP 65 HE1 TRP 65 12.249 -3.770 -8.034
52 HE3 TRP 65 HE3 TRP 65 8.498 0.009 -7.545
53 HZ2 TRP 65 HZ2 TRP 65 10.164 -4.046 -9.921
54 HZ3 TRP 65 HZ3 TRP 65 7.245 -0.974 -9.420
55 HH2 TRP 65 HH2 TRP 65 8.062 -2.959 -10.582
56 H GLY 66 H GLY 66 8.819 -1.277 -5.511
57 1HA GLY 66 HA2 GLY 66 6.889 -0.284 -3.514
58 2HA GLY 66 HA3 GLY 66 6.553 -0.458 -5.230
59 H GLN 67 H GLN 67 8.082 -3.129 -5.033
60 HA GLN 67 HA GLN 67 5.852 -4.804 -4.904
61 1HB GLN 67 HB2 GLN 67 7.417 -6.650 -4.972
62 2HB GLN 67 HB3 GLN 67 7.975 -5.373 -6.044
63 1HG GLN 67 HG2 GLN 67 9.452 -4.622 -4.115
64 2HG GLN 67 HG3 GLN 67 9.062 -6.169 -3.367
65 1HE2 GLN 67 HE21 GLN 67 10.763 -4.563 -5.916
66 2HE2 GLN 67 HE22 GLN 67 11.682 -5.926 -6.447
67 HA PRO 68 HA PRO 68 5.125 -5.555 -0.625
68 1HB PRO 68 HB2 PRO 68 4.485 -8.209 -0.631
69 2HB PRO 68 HB3 PRO 68 3.391 -6.941 -1.191
70 1HG PRO 68 HG2 PRO 68 5.166 -8.751 -2.781
71 2HG PRO 68 HG3 PRO 68 3.494 -8.258 -3.104
72 1HD PRO 68 HD2 PRO 68 5.588 -7.134 -4.375
73 2HD PRO 68 HD3 PRO 68 4.132 -6.207 -3.961
74 H HIS 69 H HIS 69 5.953 -6.587 1.259
75 HA HIS 69 HA HIS 69 8.610 -7.780 0.848
76 1HB HIS 69 HB2 HIS 69 9.022 -7.043 3.227
77 2HB HIS 69 HB3 HIS 69 8.799 -5.737 2.068
78 HD1 HIS 69 HD1 HIS 69 7.275 -3.962 2.847
79 HD2 HIS 69 HD2 HIS 69 6.408 -7.619 4.618
80 HE1 HIS 69 HE1 HIS 69 5.399 -3.501 4.457
81 HE2 HIS 69 HE2 HIS 69 4.833 -5.745 5.452
82 H GLY 70 H GLY 70 5.515 -8.186 2.416
83 1HA GLY 70 HA2 GLY 70 6.366 -10.898 3.218
84 2HA GLY 70 HA3 GLY 70 5.416 -9.888 4.298
85 H GLY 71 H GLY 71 4.870 -9.900 0.851
86 1HA GLY 71 HA2 GLY 71 3.283 -11.226 -0.338
87 2HA GLY 71 HA3 GLY 71 2.542 -11.657 1.194
88 H GLY 72 H GLY 72 2.655 -9.369 -1.393
89 1HA GLY 72 HA2 GLY 72 1.235 -7.670 -1.997
90 2HA GLY 72 HA3 GLY 72 0.051 -8.433 -0.944
91 H TRP 73 H TRP 73 -0.501 -6.070 -0.720
92 HA TRP 73 HA TRP 73 0.735 -5.082 1.721
93 1HB TRP 73 HB2 TRP 73 0.539 -2.710 0.458
94 2HB TRP 73 HB3 TRP 73 2.020 -3.660 0.494
95 HD1 TRP 73 HD1 TRP 73 2.156 -5.472 -1.752
96 HE1 TRP 73 HE1 TRP 73 1.707 -4.877 -4.211
97 HE3 TRP 73 HE3 TRP 73 -0.603 -1.224 -1.063
98 HZ2 TRP 73 HZ2 TRP 73 0.366 -2.865 -5.672
99 HZ3 TRP 73 HZ3 TRP 73 -1.429 -0.021 -3.045
100 HH2 TRP 73 HH2 TRP 73 -0.953 -0.826 -5.301
101 H GLY 74 H GLY 74 -1.381 -3.523 -0.648
102 1HA GLY 74 HA2 GLY 74 -3.424 -3.296 1.461
103 2HA GLY 74 HA3 GLY 74 -3.270 -2.220 0.081
104 H GLN 75 H GLN 75 -2.794 -4.704 -1.627
105 HA GLN 75 HA GLN 75 -5.435 -4.985 -2.562
106 1HB GLN 75 HB2 GLN 75 -4.552 -6.662 -4.066
107 2HB GLN 75 HB3 GLN 75 -3.413 -5.328 -3.954
108 1HG GLN 75 HG2 GLN 75 -2.199 -6.722 -2.207
109 2HG GLN 75 HG3 GLN 75 -3.200 -8.067 -2.756
110 1HE2 GLN 75 HE21 GLN 75 -3.092 -8.597 -5.054
111 2HE2 GLN 75 HE22 GLN 75 -1.595 -8.382 -5.890
112 HA PRO 76 HA PRO 76 -7.166 -8.149 -0.031
113 1HB PRO 76 HB2 PRO 76 -8.650 -9.554 -1.830
114 2HB PRO 76 HB3 PRO 76 -9.116 -7.961 -1.226
115 1HG PRO 76 HG2 PRO 76 -7.769 -8.692 -3.797
116 2HG PRO 76 HG3 PRO 76 -9.082 -7.532 -3.510
117 1HD PRO 76 HD2 PRO 76 -6.517 -6.752 -3.828
118 2HD PRO 76 HD3 PRO 76 -7.640 -5.895 -2.753
119 H HIS 77 H HIS 77 -6.676 -10.158 0.698
120 HA HIS 77 HA HIS 77 -4.728 -11.687 -0.856
121 1HB HIS 77 HB2 HIS 77 -4.662 -10.969 1.739
122 2HB HIS 77 HB3 HIS 77 -5.449 -12.536 1.892
123 HD1 HIS 77 HD1 HIS 77 -4.035 -14.478 0.383
124 HD2 HIS 77 HD2 HIS 77 -1.984 -11.200 1.906
125 HE1 HIS 77 HE1 HIS 77 -1.615 -15.160 0.427
126 HE2 HIS 77 HE2 HIS 77 -0.384 -13.130 1.270
127 H GLY 78 H GLY 78 -7.954 -11.905 0.469
128 1HA GLY 78 HA2 GLY 78 -8.211 -14.571 -0.782
129 2HA GLY 78 HA3 GLY 78 -8.991 -14.169 0.740
130 H GLY 79 H GLY 79 -9.912 -11.591 0.118
131 1HA GLY 79 HA2 GLY 79 -11.322 -11.459 -2.324
132 2HA GLY 79 HA3 GLY 79 -12.366 -12.157 -1.094
133 H GLY 80 H GLY 80 -10.794 -9.289 -2.238
134 1HA GLY 80 HA2 GLY 80 -11.154 -7.070 -1.772
135 2HA GLY 80 HA3 GLY 80 -12.666 -7.571 -1.028
136 H TRP 81 H TRP 81 -11.984 -5.659 0.340
137 HA TRP 81 HA TRP 81 -10.726 -6.693 2.749
138 1HB TRP 81 HB2 TRP 81 -9.543 -4.274 2.772
139 2HB TRP 81 HB3 TRP 81 -8.759 -5.718 2.141
140 HD1 TRP 81 HD1 TRP 81 -9.279 -6.045 -0.681
141 HE1 TRP 81 HE1 TRP 81 -9.070 -4.229 -2.485
142 HE3 TRP 81 HE3 TRP 81 -9.597 -1.906 2.302
143 HZ2 TRP 81 HZ2 TRP 81 -9.035 -1.408 -2.628
144 HZ3 TRP 81 HZ3 TRP 81 -9.466 0.315 1.252
145 HH2 TRP 81 HH2 TRP 81 -9.189 0.557 -1.162
146 H GLY 82 H GLY 82 -11.494 -3.410 1.669
147 1HA GLY 82 HA2 GLY 82 -13.381 -3.212 3.924
148 2HA GLY 82 HA3 GLY 82 -12.530 -1.855 3.202
149 H GLN 83 H GLN 83 -13.145 -3.078 0.479
150 HA GLN 83 HA GLN 83 -15.388 -1.514 -0.124
151 1HB GLN 83 HB2 GLN 83 -15.339 -2.560 -2.310
152 2HB GLN 83 HB3 GLN 83 -13.696 -2.225 -1.782
153 1HG GLN 83 HG2 GLN 83 -13.665 -4.651 -0.969
154 2HG GLN 83 HG3 GLN 83 -15.107 -4.860 -1.963
155 1HE2 GLN 83 HE21 GLN 83 -11.839 -5.151 -1.924
156 2HE2 GLN 83 HE22 GLN 83 -11.518 -5.084 -3.621
157 HA PRO 84 HA PRO 84 -18.888 -3.948 0.980
158 1HB PRO 84 HB2 PRO 84 -20.575 -3.468 -1.119
159 2HB PRO 84 HB3 PRO 84 -20.273 -2.311 0.181
160 1HG PRO 84 HG2 PRO 84 -19.087 -2.434 -2.563
161 2HG PRO 84 HG3 PRO 84 -19.652 -1.023 -1.649
162 1HD PRO 84 HD2 PRO 84 -17.038 -1.639 -1.849
163 2HD PRO 84 HD3 PRO 84 -17.723 -0.913 -0.380
164 H HIS 85 H HIS 85 -19.967 -5.892 0.548
165 HA HIS 85 HA HIS 85 -18.716 -7.511 -1.553
166 1HB HIS 85 HB2 HIS 85 -20.350 -8.414 0.828
167 2HB HIS 85 HB3 HIS 85 -19.461 -9.452 -0.281
168 HD1 HIS 85 HD1 HIS 85 -19.029 -7.240 2.673
169 HD2 HIS 85 HD2 HIS 85 -16.653 -9.445 0.073
170 HE1 HIS 85 HE1 HIS 85 -16.764 -7.347 3.759
171 HE2 HIS 85 HE2 HIS 85 -15.320 -8.612 2.127
172 H GLY 86 H GLY 86 -21.794 -6.316 -0.407
173 1HA GLY 86 HA2 GLY 86 -23.105 -7.625 -2.710
174 2HA GLY 86 HA3 GLY 86 -23.923 -7.273 -1.195
175 H GLY 87 H GLY 87 -22.676 -4.627 -0.941
176 1HA GLY 87 HA2 GLY 87 -23.409 -3.097 -3.254
177 2HA GLY 87 HA3 GLY 87 -24.622 -3.009 -1.985
178 H GLY 88 H GLY 88 -23.690 -2.468 0.243
179 1HA GLY 88 HA2 GLY 88 -21.431 -0.589 -0.005
180 2HA GLY 88 HA3 GLY 88 -22.944 -0.056 0.714
181 H TRP 89 H TRP 89 -22.044 0.404 2.704
182 HA TRP 89 HA TRP 89 -21.769 -1.841 4.485
183 1HB TRP 89 HB2 TRP 89 -19.469 -0.750 5.267
184 2HB TRP 89 HB3 TRP 89 -19.525 -1.991 4.018
185 HD1 TRP 89 HD1 TRP 89 -19.445 -1.044 1.417
186 HE1 TRP 89 HE1 TRP 89 -18.181 0.977 0.461
187 HE3 TRP 89 HE3 TRP 89 -18.638 1.515 5.758
188 HZ2 TRP 89 HZ2 TRP 89 -16.987 3.352 1.426
189 HZ3 TRP 89 HZ3 TRP 89 -17.425 3.655 5.660
190 HH2 TRP 89 HH2 TRP 89 -16.619 4.554 3.538
191 H GLY 90 H GLY 90 -23.305 0.726 4.066
192 1HA GLY 90 HA2 GLY 90 -24.465 1.812 5.858
193 2HA GLY 90 HA3 GLY 90 -22.998 1.707 6.820
194 H GLN 91 H GLN 91 -21.632 2.579 4.127
195 HA GLN 91 HA GLN 91 -21.230 5.256 4.839
196 1HB GLN 91 HB2 GLN 91 -20.303 5.443 2.464
197 2HB GLN 91 HB3 GLN 91 -19.554 4.258 3.523
198 1HG GLN 91 HG2 GLN 91 -20.435 2.472 2.378
199 2HG GLN 91 HG3 GLN 91 -21.775 3.414 1.728
200 1HE2 GLN 91 HE21 GLN 91 -20.544 1.870 -0.011
201 2HE2 GLN 91 HE22 GLN 91 -19.516 2.774 -1.066
Start of MODEL 5
1 H TRP 57 H TRP 57 17.458 1.468 -4.506
2 HA TRP 57 HA TRP 57 18.175 2.342 -6.440
3 1HB TRP 57 HB2 TRP 57 20.248 1.694 -7.537
4 2HB TRP 57 HB3 TRP 57 20.570 2.071 -5.849
5 HD1 TRP 57 HD1 TRP 57 20.275 -0.458 -4.291
6 HE1 TRP 57 HE1 TRP 57 21.614 -2.599 -4.785
7 HE3 TRP 57 HE3 TRP 57 21.522 0.471 -9.161
8 HZ2 TRP 57 HZ2 TRP 57 23.014 -3.743 -6.953
9 HZ3 TRP 57 HZ3 TRP 57 22.864 -1.198 -10.373
10 HH2 TRP 57 HH2 TRP 57 23.593 -3.261 -9.290
11 H GLY 58 H GLY 58 19.038 0.758 -8.661
12 1HA GLY 58 HA2 GLY 58 16.742 -0.335 -9.611
13 2HA GLY 58 HA3 GLY 58 18.332 -0.890 -10.110
14 H GLN 59 H GLN 59 19.340 -2.585 -8.723
15 HA GLN 59 HA GLN 59 17.290 -4.533 -7.979
16 1HB GLN 59 HB2 GLN 59 19.012 -6.210 -8.188
17 2HB GLN 59 HB3 GLN 59 19.051 -5.177 -9.610
18 1HG GLN 59 HG2 GLN 59 20.978 -4.015 -8.784
19 2HG GLN 59 HG3 GLN 59 20.890 -4.877 -7.248
20 1HE2 GLN 59 HE21 GLN 59 21.118 -5.511 -10.730
21 2HE2 GLN 59 HE22 GLN 59 22.216 -6.838 -10.592
22 HA PRO 60 HA PRO 60 18.007 -4.258 -3.643
23 1HB PRO 60 HB2 PRO 60 17.840 -6.874 -2.882
24 2HB PRO 60 HB3 PRO 60 16.435 -5.889 -3.301
25 1HG PRO 60 HG2 PRO 60 17.922 -7.876 -4.972
26 2HG PRO 60 HG3 PRO 60 16.173 -7.626 -4.822
27 1HD PRO 60 HD2 PRO 60 17.581 -6.679 -6.918
28 2HD PRO 60 HD3 PRO 60 16.184 -5.809 -6.251
29 H HIS 61 H HIS 61 19.585 -4.501 -2.062
30 HA HIS 61 HA HIS 61 22.117 -5.644 -3.019
31 1HB HIS 61 HB2 HIS 61 21.985 -3.189 -2.394
32 2HB HIS 61 HB3 HIS 61 21.755 -3.710 -0.729
33 HD1 HIS 61 HD1 HIS 61 24.025 -2.416 -0.242
34 HD2 HIS 61 HD2 HIS 61 24.358 -5.783 -2.655
35 HE1 HIS 61 HE1 HIS 61 26.474 -2.988 -0.263
36 HE2 HIS 61 HE2 HIS 61 26.639 -5.079 -1.658
37 H GLY 62 H GLY 62 19.777 -5.738 -0.425
38 1HA GLY 62 HA2 GLY 62 21.301 -7.970 0.772
39 2HA GLY 62 HA3 GLY 62 20.450 -6.786 1.753
40 H GLY 63 H GLY 63 18.088 -6.580 0.228
41 1HA GLY 63 HA2 GLY 63 16.924 -9.084 -0.363
42 2HA GLY 63 HA3 GLY 63 16.559 -8.656 1.302
43 H GLY 64 H GLY 64 16.030 -7.878 -2.054
44 1HA GLY 64 HA2 GLY 64 14.387 -6.658 -3.096
45 2HA GLY 64 HA3 GLY 64 13.444 -6.888 -1.630
46 H TRP 65 H TRP 65 12.697 -4.695 -2.362
47 HA TRP 65 HA TRP 65 14.170 -2.684 -0.866
48 1HB TRP 65 HB2 TRP 65 13.570 -1.141 -2.990
49 2HB TRP 65 HB3 TRP 65 15.125 -1.940 -2.793
50 HD1 TRP 65 HD1 TRP 65 15.133 -4.554 -4.006
51 HE1 TRP 65 HE1 TRP 65 14.276 -5.146 -6.355
52 HE3 TRP 65 HE3 TRP 65 12.057 -0.544 -4.777
53 HZ2 TRP 65 HZ2 TRP 65 12.529 -4.054 -8.287
54 HZ3 TRP 65 HZ3 TRP 65 10.830 -0.393 -6.905
55 HH2 TRP 65 HH2 TRP 65 11.064 -2.112 -8.623
56 H GLY 66 H GLY 66 11.588 -2.447 -3.275
57 1HA GLY 66 HA2 GLY 66 9.841 -1.378 -1.152
58 2HA GLY 66 HA3 GLY 66 9.731 -0.939 -2.850
59 H GLN 67 H GLN 67 10.198 -3.925 -3.438
60 HA GLN 67 HA GLN 67 7.536 -4.615 -3.917
61 1HB GLN 67 HB2 GLN 67 8.367 -6.826 -4.479
62 2HB GLN 67 HB3 GLN 67 9.461 -5.602 -5.107
63 1HG GLN 67 HG2 GLN 67 10.807 -5.986 -2.961
64 2HG GLN 67 HG3 GLN 67 9.850 -7.458 -2.792
65 1HE2 GLN 67 HE21 GLN 67 11.732 -8.707 -3.007
66 2HE2 GLN 67 HE22 GLN 67 12.478 -8.957 -4.545
67 HA PRO 68 HA PRO 68 5.916 -6.170 -0.130
68 1HB PRO 68 HB2 PRO 68 4.529 -8.373 -1.003
69 2HB PRO 68 HB3 PRO 68 3.950 -6.713 -1.151
70 1HG PRO 68 HG2 PRO 68 5.278 -8.443 -3.192
71 2HG PRO 68 HG3 PRO 68 3.912 -7.326 -3.383
72 1HD PRO 68 HD2 PRO 68 6.406 -6.673 -4.159
73 2HD PRO 68 HD3 PRO 68 5.284 -5.467 -3.491
74 H HIS 69 H HIS 69 6.073 -7.876 1.402
75 HA HIS 69 HA HIS 69 8.148 -9.867 0.758
76 1HB HIS 69 HB2 HIS 69 8.577 -9.822 3.280
77 2HB HIS 69 HB3 HIS 69 9.121 -8.431 2.350
78 HD1 HIS 69 HD1 HIS 69 7.431 -6.300 2.450
79 HD2 HIS 69 HD2 HIS 69 6.966 -9.208 5.382
80 HE1 HIS 69 HE1 HIS 69 6.104 -5.201 4.281
81 HE2 HIS 69 HE2 HIS 69 5.908 -6.953 6.081
82 H GLY 70 H GLY 70 7.104 -11.714 0.390
83 1HA GLY 70 HA2 GLY 70 6.145 -13.706 1.227
84 2HA GLY 70 HA3 GLY 70 5.423 -12.779 2.534
85 H GLY 71 H GLY 71 4.456 -10.738 0.549
86 1HA GLY 71 HA2 GLY 71 2.678 -12.038 -1.250
87 2HA GLY 71 HA3 GLY 71 1.848 -11.622 0.241
88 H GLY 72 H GLY 72 1.441 -9.464 0.734
89 1HA GLY 72 HA2 GLY 72 2.166 -7.506 -1.353
90 2HA GLY 72 HA3 GLY 72 0.502 -7.657 -0.809
91 H TRP 73 H TRP 73 0.334 -5.590 -0.023
92 HA TRP 73 HA TRP 73 1.778 -5.088 2.480
93 1HB TRP 73 HB2 TRP 73 1.480 -2.547 1.485
94 2HB TRP 73 HB3 TRP 73 2.969 -3.484 1.429
95 HD1 TRP 73 HD1 TRP 73 2.907 -5.220 -0.946
96 HE1 TRP 73 HE1 TRP 73 2.500 -4.412 -3.345
97 HE3 TRP 73 HE3 TRP 73 0.559 -0.805 0.093
98 HZ2 TRP 73 HZ2 TRP 73 1.338 -2.180 -4.638
99 HZ3 TRP 73 HZ3 TRP 73 -0.168 0.612 -1.783
100 HH2 TRP 73 HH2 TRP 73 0.215 -0.062 -4.098
101 H GLY 74 H GLY 74 -0.480 -3.110 0.613
102 1HA GLY 74 HA2 GLY 74 -2.347 -3.259 2.896
103 2HA GLY 74 HA3 GLY 74 -2.166 -1.852 1.860
104 H GLN 75 H GLN 75 -1.959 -4.181 -0.320
105 HA GLN 75 HA GLN 75 -4.495 -3.785 -1.415
106 1HB GLN 75 HB2 GLN 75 -3.932 -5.519 -2.992
107 2HB GLN 75 HB3 GLN 75 -2.491 -4.566 -2.669
108 1HG GLN 75 HG2 GLN 75 -1.751 -6.313 -1.076
109 2HG GLN 75 HG3 GLN 75 -3.145 -7.283 -1.552
110 1HE2 GLN 75 HE21 GLN 75 0.026 -6.290 -2.333
111 2HE2 GLN 75 HE22 GLN 75 0.191 -7.180 -3.806
112 HA PRO 76 HA PRO 76 -7.146 -6.574 0.741
113 1HB PRO 76 HB2 PRO 76 -8.854 -7.340 -1.218
114 2HB PRO 76 HB3 PRO 76 -8.885 -5.728 -0.498
115 1HG PRO 76 HG2 PRO 76 -7.671 -6.630 -3.078
116 2HG PRO 76 HG3 PRO 76 -8.605 -5.162 -2.731
117 1HD PRO 76 HD2 PRO 76 -5.898 -5.172 -2.903
118 2HD PRO 76 HD3 PRO 76 -6.788 -4.065 -1.839
119 H HIS 77 H HIS 77 -7.124 -8.677 1.316
120 HA HIS 77 HA HIS 77 -5.862 -10.571 -0.547
121 1HB HIS 77 HB2 HIS 77 -6.162 -10.983 2.421
122 2HB HIS 77 HB3 HIS 77 -5.073 -11.805 1.309
123 HD1 HIS 77 HD1 HIS 77 -2.828 -10.715 0.845
124 HD2 HIS 77 HD2 HIS 77 -5.345 -8.354 3.158
125 HE1 HIS 77 HE1 HIS 77 -1.396 -8.825 1.682
126 HE2 HIS 77 HE2 HIS 77 -2.920 -7.457 3.149
127 H GLY 78 H GLY 78 -7.405 -11.602 -1.638
128 1HA GLY 78 HA2 GLY 78 -8.892 -13.493 -1.631
129 2HA GLY 78 HA3 GLY 78 -9.499 -12.955 -0.072
130 H GLY 79 H GLY 79 -9.710 -10.155 -0.927
131 1HA GLY 79 HA2 GLY 79 -11.078 -9.465 -3.104
132 2HA GLY 79 HA3 GLY 79 -12.295 -10.401 -2.250
133 H GLY 80 H GLY 80 -10.482 -7.440 -2.338
134 1HA GLY 80 HA2 GLY 80 -10.719 -5.447 -1.215
135 2HA GLY 80 HA3 GLY 80 -12.418 -5.885 -1.119
136 H TRP 81 H TRP 81 -12.340 -4.703 0.910
137 HA TRP 81 HA TRP 81 -11.554 -6.469 3.114
138 1HB TRP 81 HB2 TRP 81 -11.116 -4.028 4.245
139 2HB TRP 81 HB3 TRP 81 -9.852 -5.047 3.566
140 HD1 TRP 81 HD1 TRP 81 -9.643 -4.519 0.682
141 HE1 TRP 81 HE1 TRP 81 -9.321 -2.201 -0.368
142 HE3 TRP 81 HE3 TRP 81 -11.375 -1.650 4.537
143 HZ2 TRP 81 HZ2 TRP 81 -9.741 0.503 0.346
144 HZ3 TRP 81 HZ3 TRP 81 -11.379 0.797 4.274
145 HH2 TRP 81 HH2 TRP 81 -10.579 1.849 2.222
146 H GLY 82 H GLY 82 -12.855 -3.181 3.063
147 1HA GLY 82 HA2 GLY 82 -15.216 -4.193 4.509
148 2HA GLY 82 HA3 GLY 82 -14.583 -2.559 4.635
149 H GLN 83 H GLN 83 -14.209 -2.668 1.589
150 HA GLN 83 HA GLN 83 -16.529 -1.265 0.899
151 1HB GLN 83 HB2 GLN 83 -15.723 -1.349 -1.379
152 2HB GLN 83 HB3 GLN 83 -14.362 -1.092 -0.297
153 1HG GLN 83 HG2 GLN 83 -13.987 -3.599 -0.420
154 2HG GLN 83 HG3 GLN 83 -15.126 -3.592 -1.766
155 1HE2 GLN 83 HE21 GLN 83 -14.094 -3.695 -3.617
156 2HE2 GLN 83 HE22 GLN 83 -12.632 -2.867 -4.022
157 HA PRO 84 HA PRO 84 -19.535 -4.349 -0.032
158 1HB PRO 84 HB2 PRO 84 -20.828 -3.245 -2.156
159 2HB PRO 84 HB3 PRO 84 -21.025 -2.667 -0.499
160 1HG PRO 84 HG2 PRO 84 -19.309 -1.575 -2.695
161 2HG PRO 84 HG3 PRO 84 -20.328 -0.705 -1.533
162 1HD PRO 84 HD2 PRO 84 -17.653 -0.912 -1.231
163 2HD PRO 84 HD3 PRO 84 -18.761 -0.866 0.155
164 H HIS 85 H HIS 85 -19.720 -6.182 -1.215
165 HA HIS 85 HA HIS 85 -17.886 -6.498 -3.468
166 1HB HIS 85 HB2 HIS 85 -18.176 -8.099 -1.377
167 2HB HIS 85 HB3 HIS 85 -19.468 -8.775 -2.362
168 HD1 HIS 85 HD1 HIS 85 -17.505 -10.802 -1.985
169 HD2 HIS 85 HD2 HIS 85 -16.865 -7.839 -4.828
170 HE1 HIS 85 HE1 HIS 85 -15.796 -11.748 -3.570
171 HE2 HIS 85 HE2 HIS 85 -15.490 -9.971 -5.329
172 H GLY 86 H GLY 86 -21.292 -6.535 -2.688
173 1HA GLY 86 HA2 GLY 86 -21.876 -7.034 -5.543
174 2HA GLY 86 HA3 GLY 86 -22.917 -7.590 -4.242
175 H GLY 87 H GLY 87 -22.898 -5.281 -2.637
176 1HA GLY 87 HA2 GLY 87 -23.452 -2.899 -4.011
177 2HA GLY 87 HA3 GLY 87 -24.957 -3.788 -3.837
178 H GLY 88 H GLY 88 -22.531 -1.914 -2.239
179 1HA GLY 88 HA2 GLY 88 -22.482 -0.912 -0.175
180 2HA GLY 88 HA3 GLY 88 -24.229 -1.112 -0.161
181 H TRP 89 H TRP 89 -23.647 -1.332 2.200
182 HA TRP 89 HA TRP 89 -23.540 -4.166 2.837
183 1HB TRP 89 HB2 TRP 89 -21.925 -3.322 4.820
184 2HB TRP 89 HB3 TRP 89 -21.319 -3.982 3.305
185 HD1 TRP 89 HD1 TRP 89 -20.906 -1.905 1.345
186 HE1 TRP 89 HE1 TRP 89 -19.697 0.329 1.728
187 HE3 TRP 89 HE3 TRP 89 -21.293 -1.642 6.435
188 HZ2 TRP 89 HZ2 TRP 89 -18.991 1.987 3.904
189 HZ3 TRP 89 HZ3 TRP 89 -20.321 0.301 7.591
190 HH2 TRP 89 HH2 TRP 89 -19.194 2.076 6.351
191 H GLY 90 H GLY 90 -23.135 -1.264 4.823
192 1HA GLY 90 HA2 GLY 90 -25.643 -1.984 6.206
193 2HA GLY 90 HA3 GLY 90 -24.275 -1.203 6.984
194 H GLN 91 H GLN 91 -23.982 0.506 4.477
195 HA GLN 91 HA GLN 91 -25.375 2.756 5.426
196 1HB GLN 91 HB2 GLN 91 -24.710 3.802 3.262
197 2HB GLN 91 HB3 GLN 91 -23.376 3.042 4.120
198 1HG GLN 91 HG2 GLN 91 -22.904 2.111 2.151
199 2HG GLN 91 HG3 GLN 91 -24.224 1.007 2.530
200 1HE2 GLN 91 HE21 GLN 91 -24.951 0.637 0.503
201 2HE2 GLN 91 HE22 GLN 91 -25.628 1.853 -0.522
Start of MODEL 6
1 H TRP 57 H TRP 57 12.653 3.418 -16.135
2 HA TRP 57 HA TRP 57 14.355 2.691 -14.599
3 1HB TRP 57 HB2 TRP 57 14.453 5.287 -13.856
4 2HB TRP 57 HB3 TRP 57 13.414 4.653 -12.584
5 HD1 TRP 57 HD1 TRP 57 14.935 4.415 -10.531
6 HE1 TRP 57 HE1 TRP 57 17.217 3.325 -10.053
7 HE3 TRP 57 HE3 TRP 57 16.208 3.069 -15.296
8 HZ2 TRP 57 HZ2 TRP 57 19.284 2.062 -11.503
9 HZ3 TRP 57 HZ3 TRP 57 18.356 1.925 -15.665
10 HH2 TRP 57 HH2 TRP 57 19.860 1.434 -13.806
11 H GLY 58 H GLY 58 13.682 1.956 -12.204
12 1HA GLY 58 HA2 GLY 58 11.145 1.826 -11.251
13 2HA GLY 58 HA3 GLY 58 11.135 0.649 -12.555
14 H GLN 59 H GLN 59 13.989 -0.019 -12.070
15 HA GLN 59 HA GLN 59 13.560 -2.147 -10.238
16 1HB GLN 59 HB2 GLN 59 15.867 -2.736 -10.647
17 2HB GLN 59 HB3 GLN 59 15.117 -2.270 -12.167
18 1HG GLN 59 HG2 GLN 59 16.114 0.058 -11.683
19 2HG GLN 59 HG3 GLN 59 17.140 -0.797 -10.533
20 1HE2 GLN 59 HE21 GLN 59 18.655 -2.281 -11.294
21 2HE2 GLN 59 HE22 GLN 59 19.158 -2.309 -12.946
22 HA PRO 60 HA PRO 60 14.674 -0.344 -6.377
23 1HB PRO 60 HB2 PRO 60 15.953 -2.408 -5.149
24 2HB PRO 60 HB3 PRO 60 14.202 -2.354 -5.375
25 1HG PRO 60 HG2 PRO 60 16.276 -3.796 -6.979
26 2HG PRO 60 HG3 PRO 60 14.684 -4.363 -6.440
27 1HD PRO 60 HD2 PRO 60 15.130 -3.492 -8.959
28 2HD PRO 60 HD3 PRO 60 13.576 -3.257 -8.135
29 H HIS 61 H HIS 61 16.344 0.696 -5.342
30 HA HIS 61 HA HIS 61 18.912 0.660 -6.741
31 1HB HIS 61 HB2 HIS 61 17.689 2.820 -6.349
32 2HB HIS 61 HB3 HIS 61 17.961 2.598 -4.624
33 HD1 HIS 61 HD1 HIS 61 19.243 4.969 -4.971
34 HD2 HIS 61 HD2 HIS 61 21.055 1.600 -6.594
35 HE1 HIS 61 HE1 HIS 61 21.635 5.626 -5.380
36 HE2 HIS 61 HE2 HIS 61 22.733 3.544 -6.280
37 H GLY 62 H GLY 62 17.471 -0.030 -3.634
38 1HA GLY 62 HA2 GLY 62 20.110 -0.983 -2.705
39 2HA GLY 62 HA3 GLY 62 19.004 -0.138 -1.633
40 H GLY 63 H GLY 63 16.594 -1.347 -2.415
41 1HA GLY 63 HA2 GLY 63 16.741 -4.177 -2.434
42 2HA GLY 63 HA3 GLY 63 16.530 -3.602 -0.786
43 H GLY 64 H GLY 64 15.049 -4.045 -3.886
44 1HA GLY 64 HA2 GLY 64 12.854 -3.989 -4.556
45 2HA GLY 64 HA3 GLY 64 12.450 -4.183 -2.856
46 H TRP 65 H TRP 65 10.600 -2.824 -3.665
47 HA TRP 65 HA TRP 65 11.158 -0.050 -3.003
48 1HB TRP 65 HB2 TRP 65 9.494 0.429 -5.071
49 2HB TRP 65 HB3 TRP 65 11.247 0.477 -5.215
50 HD1 TRP 65 HD1 TRP 65 12.325 -2.079 -5.972
51 HE1 TRP 65 HE1 TRP 65 11.453 -3.613 -7.841
52 HE3 TRP 65 HE3 TRP 65 7.576 -0.232 -6.385
53 HZ2 TRP 65 HZ2 TRP 65 9.067 -3.987 -9.305
54 HZ3 TRP 65 HZ3 TRP 65 6.062 -1.233 -8.046
55 HH2 TRP 65 HH2 TRP 65 6.794 -3.072 -9.476
56 H GLY 66 H GLY 66 8.388 -1.619 -4.552
57 1HA GLY 66 HA2 GLY 66 6.781 -0.886 -2.186
58 2HA GLY 66 HA3 GLY 66 6.152 -0.973 -3.824
59 H GLN 67 H GLN 67 7.979 -3.532 -3.960
60 HA GLN 67 HA GLN 67 5.937 -5.410 -3.738
61 1HB GLN 67 HB2 GLN 67 7.638 -7.097 -3.996
62 2HB GLN 67 HB3 GLN 67 8.053 -5.723 -5.011
63 1HG GLN 67 HG2 GLN 67 9.598 -4.959 -3.201
64 2HG GLN 67 HG3 GLN 67 9.281 -6.485 -2.376
65 1HE2 GLN 67 HE21 GLN 67 10.401 -5.146 -5.449
66 2HE2 GLN 67 HE22 GLN 67 11.508 -6.424 -5.807
67 HA PRO 68 HA PRO 68 5.618 -6.344 0.557
68 1HB PRO 68 HB2 PRO 68 5.000 -8.984 0.505
69 2HB PRO 68 HB3 PRO 68 3.861 -7.724 0.020
70 1HG PRO 68 HG2 PRO 68 5.580 -9.483 -1.683
71 2HG PRO 68 HG3 PRO 68 3.889 -9.005 -1.918
72 1HD PRO 68 HD2 PRO 68 5.944 -7.835 -3.247
73 2HD PRO 68 HD3 PRO 68 4.458 -6.965 -2.817
74 H HIS 69 H HIS 69 6.701 -7.280 2.303
75 HA HIS 69 HA HIS 69 9.337 -8.364 1.644
76 1HB HIS 69 HB2 HIS 69 9.246 -6.398 3.123
77 2HB HIS 69 HB3 HIS 69 8.266 -7.306 4.270
78 HD1 HIS 69 HD1 HIS 69 10.304 -6.671 5.926
79 HD2 HIS 69 HD2 HIS 69 11.140 -9.420 2.925
80 HE1 HIS 69 HE1 HIS 69 12.427 -7.815 6.635
81 HE2 HIS 69 HE2 HIS 69 12.960 -9.414 4.763
82 H GLY 70 H GLY 70 6.344 -9.193 3.232
83 1HA GLY 70 HA2 GLY 70 7.230 -11.967 3.389
84 2HA GLY 70 HA3 GLY 70 6.782 -11.207 4.909
85 H GLY 71 H GLY 71 5.169 -10.374 1.932
86 1HA GLY 71 HA2 GLY 71 3.139 -12.203 1.758
87 2HA GLY 71 HA3 GLY 71 2.629 -11.113 3.039
88 H GLY 72 H GLY 72 1.621 -9.274 2.493
89 1HA GLY 72 HA2 GLY 72 1.786 -8.420 -0.332
90 2HA GLY 72 HA3 GLY 72 0.255 -8.489 0.528
91 H TRP 73 H TRP 73 -0.028 -6.255 0.026
92 HA TRP 73 HA TRP 73 1.196 -4.528 2.021
93 1HB TRP 73 HB2 TRP 73 1.323 -2.808 -0.062
94 2HB TRP 73 HB3 TRP 73 2.689 -3.773 0.485
95 HD1 TRP 73 HD1 TRP 73 2.825 -6.298 -0.876
96 HE1 TRP 73 HE1 TRP 73 2.582 -6.693 -3.403
97 HE3 TRP 73 HE3 TRP 73 0.379 -1.989 -2.134
98 HZ2 TRP 73 HZ2 TRP 73 1.503 -5.349 -5.643
99 HZ3 TRP 73 HZ3 TRP 73 -0.221 -1.620 -4.490
100 HH2 TRP 73 HH2 TRP 73 0.331 -3.266 -6.208
101 H GLY 74 H GLY 74 -0.585 -3.730 -0.926
102 1HA GLY 74 HA2 GLY 74 -2.789 -2.764 0.789
103 2HA GLY 74 HA3 GLY 74 -2.307 -1.986 -0.711
104 H GLN 75 H GLN 75 -2.023 -5.169 -1.362
105 HA GLN 75 HA GLN 75 -4.197 -5.283 -3.104
106 1HB GLN 75 HB2 GLN 75 -3.671 -7.625 -3.379
107 2HB GLN 75 HB3 GLN 75 -2.173 -6.714 -3.252
108 1HG GLN 75 HG2 GLN 75 -1.909 -7.404 -0.950
109 2HG GLN 75 HG3 GLN 75 -3.459 -8.244 -1.001
110 1HE2 GLN 75 HE21 GLN 75 -0.164 -8.235 -2.162
111 2HE2 GLN 75 HE22 GLN 75 -0.120 -9.895 -2.640
112 HA PRO 76 HA PRO 76 -7.700 -6.318 -0.644
113 1HB PRO 76 HB2 PRO 76 -9.010 -8.085 -2.262
114 2HB PRO 76 HB3 PRO 76 -8.994 -6.340 -2.533
115 1HG PRO 76 HG2 PRO 76 -7.345 -8.475 -3.827
116 2HG PRO 76 HG3 PRO 76 -8.123 -7.061 -4.561
117 1HD PRO 76 HD2 PRO 76 -5.485 -7.122 -3.992
118 2HD PRO 76 HD3 PRO 76 -6.441 -5.630 -3.889
119 H HIS 77 H HIS 77 -8.582 -7.915 0.700
120 HA HIS 77 HA HIS 77 -6.881 -10.282 1.013
121 1HB HIS 77 HB2 HIS 77 -7.130 -8.806 2.972
122 2HB HIS 77 HB3 HIS 77 -8.871 -9.059 2.938
123 HD1 HIS 77 HD1 HIS 77 -8.613 -10.012 5.391
124 HD2 HIS 77 HD2 HIS 77 -6.778 -12.252 2.410
125 HE1 HIS 77 HE1 HIS 77 -8.122 -12.247 6.435
126 HE2 HIS 77 HE2 HIS 77 -7.093 -13.614 4.586
127 H GLY 78 H GLY 78 -10.164 -9.280 0.381
128 1HA GLY 78 HA2 GLY 78 -10.826 -12.021 -0.361
129 2HA GLY 78 HA3 GLY 78 -11.803 -11.302 0.910
130 H GLY 79 H GLY 79 -10.533 -9.368 -1.696
131 1HA GLY 79 HA2 GLY 79 -12.442 -9.561 -3.647
132 2HA GLY 79 HA3 GLY 79 -13.177 -8.528 -2.430
133 H GLY 80 H GLY 80 -12.776 -6.410 -2.530
134 1HA GLY 80 HA2 GLY 80 -10.454 -5.535 -4.142
135 2HA GLY 80 HA3 GLY 80 -12.025 -4.751 -4.243
136 H TRP 81 H TRP 81 -10.893 -2.782 -3.732
137 HA TRP 81 HA TRP 81 -10.750 -2.360 -0.856
138 1HB TRP 81 HB2 TRP 81 -8.571 -0.914 -1.537
139 2HB TRP 81 HB3 TRP 81 -8.487 -2.564 -0.930
140 HD1 TRP 81 HD1 TRP 81 -8.575 -4.485 -3.074
141 HE1 TRP 81 HE1 TRP 81 -7.204 -4.410 -5.245
142 HE3 TRP 81 HE3 TRP 81 -7.411 0.492 -3.123
143 HZ2 TRP 81 HZ2 TRP 81 -5.802 -2.495 -6.777
144 HZ3 TRP 81 HZ3 TRP 81 -6.048 1.365 -4.976
145 HH2 TRP 81 HH2 TRP 81 -5.260 -0.099 -6.764
146 H GLY 82 H GLY 82 -9.576 -0.394 -3.551
147 1HA GLY 82 HA2 GLY 82 -11.616 1.617 -2.841
148 2HA GLY 82 HA3 GLY 82 -10.030 2.000 -3.493
149 H GLN 83 H GLN 83 -10.570 -0.481 -5.319
150 HA GLN 83 HA GLN 83 -11.210 0.923 -7.633
151 1HB GLN 83 HB2 GLN 83 -11.431 -1.229 -8.714
152 2HB GLN 83 HB3 GLN 83 -10.092 -1.289 -7.577
153 1HG GLN 83 HG2 GLN 83 -11.657 -2.355 -5.937
154 2HG GLN 83 HG3 GLN 83 -12.837 -2.465 -7.242
155 1HE2 GLN 83 HE21 GLN 83 -10.244 -3.950 -5.713
156 2HE2 GLN 83 HE22 GLN 83 -9.945 -5.199 -6.869
157 HA PRO 84 HA PRO 84 -15.589 1.400 -7.648
158 1HB PRO 84 HB2 PRO 84 -16.180 1.032 -10.281
159 2HB PRO 84 HB3 PRO 84 -15.413 2.495 -9.655
160 1HG PRO 84 HG2 PRO 84 -14.165 0.128 -10.995
161 2HG PRO 84 HG3 PRO 84 -13.829 1.854 -11.230
162 1HD PRO 84 HD2 PRO 84 -12.243 0.271 -9.725
163 2HD PRO 84 HD3 PRO 84 -12.510 1.984 -9.339
164 H HIS 85 H HIS 85 -17.651 0.315 -8.271
165 HA HIS 85 HA HIS 85 -17.318 -2.609 -8.190
166 1HB HIS 85 HB2 HIS 85 -19.215 -0.738 -6.870
167 2HB HIS 85 HB3 HIS 85 -19.848 -2.306 -7.361
168 HD1 HIS 85 HD1 HIS 85 -19.569 -4.107 -5.690
169 HD2 HIS 85 HD2 HIS 85 -16.779 -1.073 -5.172
170 HE1 HIS 85 HE1 HIS 85 -18.283 -4.724 -3.619
171 HE2 HIS 85 HE2 HIS 85 -16.658 -2.829 -3.277
172 H GLY 86 H GLY 86 -18.929 0.053 -9.783
173 1HA GLY 86 HA2 GLY 86 -19.831 -1.835 -11.857
174 2HA GLY 86 HA3 GLY 86 -20.954 -0.648 -11.210
175 H GLY 87 H GLY 87 -17.579 0.105 -11.660
176 1HA GLY 87 HA2 GLY 87 -16.624 1.097 -13.636
177 2HA GLY 87 HA3 GLY 87 -18.239 1.602 -14.110
178 H GLY 88 H GLY 88 -15.405 2.397 -12.328
179 1HA GLY 88 HA2 GLY 88 -14.724 4.337 -11.307
180 2HA GLY 88 HA3 GLY 88 -15.949 5.141 -12.279
181 H TRP 89 H TRP 89 -15.904 6.471 -10.222
182 HA TRP 89 HA TRP 89 -18.127 5.606 -8.560
183 1HB TRP 89 HB2 TRP 89 -16.601 6.613 -6.580
184 2HB TRP 89 HB3 TRP 89 -16.664 4.897 -6.966
185 HD1 TRP 89 HD1 TRP 89 -14.649 4.184 -8.908
186 HE1 TRP 89 HE1 TRP 89 -12.168 4.844 -8.833
187 HE3 TRP 89 HE3 TRP 89 -14.981 8.218 -5.786
188 HZ2 TRP 89 HZ2 TRP 89 -10.556 6.812 -7.605
189 HZ3 TRP 89 HZ3 TRP 89 -12.921 9.434 -5.209
190 HH2 TRP 89 HH2 TRP 89 -10.755 8.744 -6.100
191 H GLY 90 H GLY 90 -15.721 8.161 -8.116
192 1HA GLY 90 HA2 GLY 90 -17.897 10.129 -8.455
193 2HA GLY 90 HA3 GLY 90 -16.531 10.345 -7.371
194 H GLN 91 H GLN 91 -14.769 9.150 -9.553
195 HA GLN 91 HA GLN 91 -13.855 11.575 -10.634
196 1HB GLN 91 HB2 GLN 91 -12.462 10.123 -12.118
197 2HB GLN 91 HB3 GLN 91 -12.336 9.733 -10.407
198 1HG GLN 91 HG2 GLN 91 -12.652 7.630 -11.067
199 2HG GLN 91 HG3 GLN 91 -14.351 8.085 -11.195
200 1HE2 GLN 91 HE21 GLN 91 -11.340 8.063 -13.057
201 2HE2 GLN 91 HE22 GLN 91 -12.077 7.708 -14.577
Start of MODEL 7
1 H TRP 57 H TRP 57 16.457 -0.137 -16.862
2 HA TRP 57 HA TRP 57 16.099 1.383 -15.182
3 1HB TRP 57 HB2 TRP 57 14.512 -0.656 -15.558
4 2HB TRP 57 HB3 TRP 57 15.070 -1.165 -13.967
5 HD1 TRP 57 HD1 TRP 57 14.447 2.530 -14.775
6 HE1 TRP 57 HE1 TRP 57 12.476 3.360 -13.343
7 HE3 TRP 57 HE3 TRP 57 12.982 -1.930 -12.748
8 HZ2 TRP 57 HZ2 TRP 57 10.556 2.268 -11.586
9 HZ3 TRP 57 HZ3 TRP 57 11.069 -1.950 -11.201
10 HH2 TRP 57 HH2 TRP 57 9.882 0.107 -10.632
11 H GLY 58 H GLY 58 15.897 1.709 -12.758
12 1HA GLY 58 HA2 GLY 58 18.432 1.578 -11.572
13 2HA GLY 58 HA3 GLY 58 16.937 1.948 -10.726
14 H GLN 59 H GLN 59 15.519 -0.332 -10.830
15 HA GLN 59 HA GLN 59 15.227 -2.306 -9.756
16 1HB GLN 59 HB2 GLN 59 16.384 -3.995 -10.696
17 2HB GLN 59 HB3 GLN 59 17.123 -2.734 -11.668
18 1HG GLN 59 HG2 GLN 59 18.846 -2.636 -9.704
19 2HG GLN 59 HG3 GLN 59 18.242 -4.258 -9.366
20 1HE2 GLN 59 HE21 GLN 59 20.442 -2.462 -11.105
21 2HE2 GLN 59 HE22 GLN 59 20.915 -3.658 -12.257
22 HA PRO 60 HA PRO 60 16.818 -2.113 -5.660
23 1HB PRO 60 HB2 PRO 60 16.964 -4.707 -4.876
24 2HB PRO 60 HB3 PRO 60 15.431 -3.854 -5.088
25 1HG PRO 60 HG2 PRO 60 16.817 -5.747 -6.946
26 2HG PRO 60 HG3 PRO 60 15.096 -5.645 -6.528
27 1HD PRO 60 HD2 PRO 60 16.107 -4.620 -8.824
28 2HD PRO 60 HD3 PRO 60 14.717 -3.902 -7.985
29 H HIS 61 H HIS 61 18.801 -1.617 -4.988
30 HA HIS 61 HA HIS 61 21.103 -2.945 -6.166
31 1HB HIS 61 HB2 HIS 61 20.639 -0.409 -4.681
32 2HB HIS 61 HB3 HIS 61 22.240 -1.132 -4.573
33 HD1 HIS 61 HD1 HIS 61 21.122 1.538 -6.182
34 HD2 HIS 61 HD2 HIS 61 22.533 -2.054 -7.722
35 HE1 HIS 61 HE1 HIS 61 21.885 2.062 -8.521
36 HE2 HIS 61 HE2 HIS 61 22.655 -0.144 -9.462
37 H GLY 62 H GLY 62 19.181 -3.776 -3.726
38 1HA GLY 62 HA2 GLY 62 20.924 -5.581 -2.540
39 2HA GLY 62 HA3 GLY 62 20.952 -4.137 -1.539
40 H GLY 63 H GLY 63 18.195 -5.464 -3.316
41 1HA GLY 63 HA2 GLY 63 16.867 -7.024 -1.620
42 2HA GLY 63 HA3 GLY 63 16.661 -5.464 -0.837
43 H GLY 64 H GLY 64 15.117 -4.093 -1.558
44 1HA GLY 64 HA2 GLY 64 13.833 -4.688 -4.138
45 2HA GLY 64 HA3 GLY 64 12.845 -4.620 -2.686
46 H TRP 65 H TRP 65 11.670 -2.930 -3.773
47 HA TRP 65 HA TRP 65 12.833 -0.316 -3.233
48 1HB TRP 65 HB2 TRP 65 11.652 0.299 -5.581
49 2HB TRP 65 HB3 TRP 65 13.360 -0.101 -5.436
50 HD1 TRP 65 HD1 TRP 65 13.792 -2.945 -5.743
51 HE1 TRP 65 HE1 TRP 65 12.835 -4.430 -7.607
52 HE3 TRP 65 HE3 TRP 65 9.882 0.008 -7.198
53 HZ2 TRP 65 HZ2 TRP 65 10.705 -4.357 -9.462
54 HZ3 TRP 65 HZ3 TRP 65 8.434 -0.772 -9.027
55 HH2 TRP 65 HH2 TRP 65 8.838 -2.909 -10.135
56 H GLY 66 H GLY 66 9.992 -1.252 -5.121
57 1HA GLY 66 HA2 GLY 66 8.314 -0.049 -3.007
58 2HA GLY 66 HA3 GLY 66 7.973 0.124 -4.722
59 H GLN 67 H GLN 67 9.144 -2.956 -3.870
60 HA GLN 67 HA GLN 67 6.613 -4.161 -4.506
61 1HB GLN 67 HB2 GLN 67 7.796 -6.275 -4.344
62 2HB GLN 67 HB3 GLN 67 8.758 -5.128 -5.266
63 1HG GLN 67 HG2 GLN 67 10.079 -4.672 -3.217
64 2HG GLN 67 HG3 GLN 67 9.174 -5.948 -2.403
65 1HE2 GLN 67 HE21 GLN 67 9.257 -8.100 -3.437
66 2HE2 GLN 67 HE22 GLN 67 10.741 -8.591 -4.171
67 HA PRO 68 HA PRO 68 4.940 -4.773 -0.479
68 1HB PRO 68 HB2 PRO 68 3.945 -7.319 -0.684
69 2HB PRO 68 HB3 PRO 68 3.156 -5.894 -1.361
70 1HG PRO 68 HG2 PRO 68 4.882 -7.925 -2.712
71 2HG PRO 68 HG3 PRO 68 3.394 -7.155 -3.291
72 1HD PRO 68 HD2 PRO 68 5.825 -6.370 -4.139
73 2HD PRO 68 HD3 PRO 68 4.490 -5.219 -3.922
74 H HIS 69 H HIS 69 5.161 -5.984 1.493
75 HA HIS 69 HA HIS 69 7.579 -7.669 1.556
76 1HB HIS 69 HB2 HIS 69 7.758 -6.851 3.971
77 2HB HIS 69 HB3 HIS 69 8.156 -5.694 2.707
78 HD1 HIS 69 HD1 HIS 69 6.053 -6.135 5.637
79 HD2 HIS 69 HD2 HIS 69 5.970 -3.801 2.201
80 HE1 HIS 69 HE1 HIS 69 4.425 -4.281 6.123
81 HE2 HIS 69 HE2 HIS 69 4.457 -2.833 4.061
82 H GLY 70 H GLY 70 6.896 -9.706 1.714
83 1HA GLY 70 HA2 GLY 70 6.177 -11.513 3.058
84 2HA GLY 70 HA3 GLY 70 5.175 -10.399 3.977
85 H GLY 71 H GLY 71 4.118 -9.225 1.429
86 1HA GLY 71 HA2 GLY 71 2.913 -10.738 -0.379
87 2HA GLY 71 HA3 GLY 71 2.013 -11.212 1.053
88 H GLY 72 H GLY 72 2.617 -8.689 -1.262
89 1HA GLY 72 HA2 GLY 72 1.436 -6.793 -1.804
90 2HA GLY 72 HA3 GLY 72 0.062 -7.574 -1.035
91 H TRP 73 H TRP 73 -0.576 -5.453 -0.353
92 HA TRP 73 HA TRP 73 0.694 -4.705 2.172
93 1HB TRP 73 HB2 TRP 73 0.054 -2.233 1.249
94 2HB TRP 73 HB3 TRP 73 1.661 -2.941 1.122
95 HD1 TRP 73 HD1 TRP 73 1.862 -4.510 -1.330
96 HE1 TRP 73 HE1 TRP 73 1.249 -3.685 -3.682
97 HE3 TRP 73 HE3 TRP 73 -1.250 -0.668 -0.042
98 HZ2 TRP 73 HZ2 TRP 73 -0.344 -1.659 -4.845
99 HZ3 TRP 73 HZ3 TRP 73 -2.277 0.667 -1.836
100 HH2 TRP 73 HH2 TRP 73 -1.833 0.181 -4.187
101 H GLY 74 H GLY 74 -1.790 -3.094 0.239
102 1HA GLY 74 HA2 GLY 74 -3.713 -3.676 2.405
103 2HA GLY 74 HA3 GLY 74 -3.698 -2.172 1.496
104 H GLN 75 H GLN 75 -3.047 -4.916 -0.406
105 HA GLN 75 HA GLN 75 -5.643 -4.656 -1.690
106 1HB GLN 75 HB2 GLN 75 -4.690 -5.967 -3.488
107 2HB GLN 75 HB3 GLN 75 -3.566 -4.690 -3.043
108 1HG GLN 75 HG2 GLN 75 -2.334 -6.364 -1.662
109 2HG GLN 75 HG3 GLN 75 -3.384 -7.607 -2.340
110 1HE2 GLN 75 HE21 GLN 75 -0.912 -8.126 -2.788
111 2HE2 GLN 75 HE22 GLN 75 -0.398 -7.713 -4.385
112 HA PRO 76 HA PRO 76 -7.460 -8.290 0.012
113 1HB PRO 76 HB2 PRO 76 -8.836 -9.279 -2.122
114 2HB PRO 76 HB3 PRO 76 -9.355 -7.861 -1.204
115 1HG PRO 76 HG2 PRO 76 -7.885 -7.998 -3.807
116 2HG PRO 76 HG3 PRO 76 -9.224 -6.936 -3.331
117 1HD PRO 76 HD2 PRO 76 -6.661 -6.094 -3.351
118 2HD PRO 76 HD3 PRO 76 -7.839 -5.503 -2.163
119 H HIS 77 H HIS 77 -7.155 -10.490 0.207
120 HA HIS 77 HA HIS 77 -5.009 -11.606 -1.440
121 1HB HIS 77 HB2 HIS 77 -4.944 -11.574 1.121
122 2HB HIS 77 HB3 HIS 77 -6.160 -12.845 1.052
123 HD1 HIS 77 HD1 HIS 77 -3.693 -13.710 2.369
124 HD2 HIS 77 HD2 HIS 77 -4.070 -13.818 -1.767
125 HE1 HIS 77 HE1 HIS 77 -1.988 -15.383 1.581
126 HE2 HIS 77 HE2 HIS 77 -2.176 -15.368 -0.931
127 H GLY 78 H GLY 78 -8.208 -11.510 -1.731
128 1HA GLY 78 HA2 GLY 78 -8.665 -13.317 -3.620
129 2HA GLY 78 HA3 GLY 78 -8.676 -14.350 -2.199
130 H GLY 79 H GLY 79 -9.932 -11.054 -2.636
131 1HA GLY 79 HA2 GLY 79 -12.602 -11.591 -3.021
132 2HA GLY 79 HA3 GLY 79 -12.364 -11.710 -1.284
133 H GLY 80 H GLY 80 -11.588 -9.831 -0.142
134 1HA GLY 80 HA2 GLY 80 -11.360 -7.299 -1.444
135 2HA GLY 80 HA3 GLY 80 -12.945 -7.496 -0.707
136 H TRP 81 H TRP 81 -12.319 -5.652 0.600
137 HA TRP 81 HA TRP 81 -11.014 -6.518 3.052
138 1HB TRP 81 HB2 TRP 81 -9.902 -4.064 2.915
139 2HB TRP 81 HB3 TRP 81 -9.081 -5.525 2.376
140 HD1 TRP 81 HD1 TRP 81 -9.616 -6.053 -0.414
141 HE1 TRP 81 HE1 TRP 81 -9.465 -4.356 -2.336
142 HE3 TRP 81 HE3 TRP 81 -10.013 -1.734 2.291
143 HZ2 TRP 81 HZ2 TRP 81 -9.499 -1.551 -2.666
144 HZ3 TRP 81 HZ3 TRP 81 -9.942 0.415 1.095
145 HH2 TRP 81 HH2 TRP 81 -9.690 0.503 -1.332
146 H GLY 82 H GLY 82 -11.832 -3.294 1.851
147 1HA GLY 82 HA2 GLY 82 -13.727 -3.040 4.092
148 2HA GLY 82 HA3 GLY 82 -12.908 -1.699 3.303
149 H GLN 83 H GLN 83 -13.522 -3.099 0.650
150 HA GLN 83 HA GLN 83 -15.828 -1.612 0.017
151 1HB GLN 83 HB2 GLN 83 -15.721 -2.680 -2.154
152 2HB GLN 83 HB3 GLN 83 -14.096 -2.263 -1.628
153 1HG GLN 83 HG2 GLN 83 -13.903 -4.655 -0.811
154 2HG GLN 83 HG3 GLN 83 -15.383 -4.971 -1.717
155 1HE2 GLN 83 HE21 GLN 83 -12.208 -5.347 -1.879
156 2HE2 GLN 83 HE22 GLN 83 -11.945 -5.213 -3.582
157 HA PRO 84 HA PRO 84 -19.185 -4.227 1.155
158 1HB PRO 84 HB2 PRO 84 -20.920 -3.832 -0.915
159 2HB PRO 84 HB3 PRO 84 -20.647 -2.649 0.368
160 1HG PRO 84 HG2 PRO 84 -19.499 -2.750 -2.393
161 2HG PRO 84 HG3 PRO 84 -20.116 -1.355 -1.487
162 1HD PRO 84 HD2 PRO 84 -17.477 -1.862 -1.719
163 2HD PRO 84 HD3 PRO 84 -18.174 -1.137 -0.255
164 H HIS 85 H HIS 85 -20.720 -5.939 0.167
165 HA HIS 85 HA HIS 85 -19.060 -7.777 -1.400
166 1HB HIS 85 HB2 HIS 85 -20.704 -9.507 -0.608
167 2HB HIS 85 HB3 HIS 85 -19.788 -8.723 0.677
168 HD1 HIS 85 HD1 HIS 85 -21.092 -7.156 2.275
169 HD2 HIS 85 HD2 HIS 85 -23.453 -9.012 -0.596
170 HE1 HIS 85 HE1 HIS 85 -23.467 -6.796 3.022
171 HE2 HIS 85 HE2 HIS 85 -24.873 -8.002 1.315
172 H GLY 86 H GLY 86 -22.112 -6.077 -1.427
173 1HA GLY 86 HA2 GLY 86 -22.384 -6.530 -4.258
174 2HA GLY 86 HA3 GLY 86 -23.606 -7.360 -3.306
175 H GLY 87 H GLY 87 -22.263 -4.292 -2.314
176 1HA GLY 87 HA2 GLY 87 -23.957 -2.491 -3.541
177 2HA GLY 87 HA3 GLY 87 -24.853 -3.107 -2.161
178 H GLY 88 H GLY 88 -24.201 -2.572 -0.073
179 1HA GLY 88 HA2 GLY 88 -21.943 -0.697 0.158
180 2HA GLY 88 HA3 GLY 88 -23.527 -0.213 0.746
181 H TRP 89 H TRP 89 -22.580 0.046 2.831
182 HA TRP 89 HA TRP 89 -22.586 -2.433 4.352
183 1HB TRP 89 HB2 TRP 89 -20.471 -1.279 5.572
184 2HB TRP 89 HB3 TRP 89 -20.313 -2.484 4.298
185 HD1 TRP 89 HD1 TRP 89 -20.201 -1.248 1.693
186 HE1 TRP 89 HE1 TRP 89 -18.738 0.752 1.019
187 HE3 TRP 89 HE3 TRP 89 -19.312 0.699 6.335
188 HZ2 TRP 89 HZ2 TRP 89 -17.375 2.876 2.289
189 HZ3 TRP 89 HZ3 TRP 89 -17.915 2.715 6.518
190 HH2 TRP 89 HH2 TRP 89 -16.967 3.781 4.537
191 H GLY 90 H GLY 90 -21.424 0.805 5.168
192 1HA GLY 90 HA2 GLY 90 -23.808 1.178 6.858
193 2HA GLY 90 HA3 GLY 90 -22.203 1.396 7.538
194 H GLN 91 H GLN 91 -22.546 2.353 4.270
195 HA GLN 91 HA GLN 91 -21.816 5.010 4.761
196 1HB GLN 91 HB2 GLN 91 -22.637 5.367 2.363
197 2HB GLN 91 HB3 GLN 91 -21.353 4.192 2.609
198 1HG GLN 91 HG2 GLN 91 -22.800 2.378 2.286
199 2HG GLN 91 HG3 GLN 91 -24.236 3.380 2.483
200 1HE2 GLN 91 HE21 GLN 91 -24.397 1.915 0.382
201 2HE2 GLN 91 HE22 GLN 91 -24.030 2.762 -1.079
Start of MODEL 8
1 H TRP 57 H TRP 57 16.305 -0.210 -16.638
2 HA TRP 57 HA TRP 57 14.314 0.908 -15.855
3 1HB TRP 57 HB2 TRP 57 13.096 -1.333 -15.640
4 2HB TRP 57 HB3 TRP 57 13.954 -1.531 -14.115
5 HD1 TRP 57 HD1 TRP 57 11.944 1.441 -15.631
6 HE1 TRP 57 HE1 TRP 57 10.315 2.284 -13.825
7 HE3 TRP 57 HE3 TRP 57 13.089 -1.860 -11.897
8 HZ2 TRP 57 HZ2 TRP 57 9.610 1.636 -11.170
9 HZ3 TRP 57 HZ3 TRP 57 11.891 -1.679 -9.756
10 HH2 TRP 57 HH2 TRP 57 10.188 0.033 -9.401
11 H GLY 58 H GLY 58 14.194 1.743 -13.551
12 1HA GLY 58 HA2 GLY 58 16.752 2.407 -12.642
13 2HA GLY 58 HA3 GLY 58 15.269 2.629 -11.727
14 H GLN 59 H GLN 59 14.694 -0.276 -11.821
15 HA GLN 59 HA GLN 59 14.916 -2.056 -10.441
16 1HB GLN 59 HB2 GLN 59 17.014 -3.141 -10.413
17 2HB GLN 59 HB3 GLN 59 16.940 -2.286 -11.943
18 1HG GLN 59 HG2 GLN 59 18.562 -0.783 -11.341
19 2HG GLN 59 HG3 GLN 59 18.251 -0.969 -9.616
20 1HE2 GLN 59 HE21 GLN 59 18.752 -3.194 -8.754
21 2HE2 GLN 59 HE22 GLN 59 20.210 -3.931 -9.313
22 HA PRO 60 HA PRO 60 15.169 -0.751 -6.256
23 1HB PRO 60 HB2 PRO 60 15.924 -3.061 -4.992
24 2HB PRO 60 HB3 PRO 60 14.283 -2.740 -5.561
25 1HG PRO 60 HG2 PRO 60 16.456 -4.341 -6.849
26 2HG PRO 60 HG3 PRO 60 14.722 -4.698 -6.727
27 1HD PRO 60 HD2 PRO 60 15.823 -3.727 -8.984
28 2HD PRO 60 HD3 PRO 60 14.181 -3.284 -8.474
29 H HIS 61 H HIS 61 16.609 -0.228 -4.561
30 HA HIS 61 HA HIS 61 19.434 -0.363 -5.349
31 1HB HIS 61 HB2 HIS 61 18.491 1.891 -5.035
32 2HB HIS 61 HB3 HIS 61 18.066 1.480 -3.376
33 HD1 HIS 61 HD1 HIS 61 19.634 3.626 -2.866
34 HD2 HIS 61 HD2 HIS 61 21.549 0.209 -4.253
35 HE1 HIS 61 HE1 HIS 61 22.065 3.941 -2.300
36 HE2 HIS 61 HE2 HIS 61 23.215 1.900 -3.228
37 H GLY 62 H GLY 62 17.184 -1.201 -2.816
38 1HA GLY 62 HA2 GLY 62 18.775 -3.218 -1.735
39 2HA GLY 62 HA3 GLY 62 19.068 -1.771 -0.783
40 H GLY 63 H GLY 63 16.019 -2.733 -2.291
41 1HA GLY 63 HA2 GLY 63 14.783 -4.005 -0.176
42 2HA GLY 63 HA3 GLY 63 14.579 -2.287 0.131
43 H GLY 64 H GLY 64 14.600 -3.929 -3.007
44 1HA GLY 64 HA2 GLY 64 13.023 -4.005 -4.677
45 2HA GLY 64 HA3 GLY 64 11.853 -4.189 -3.380
46 H TRP 65 H TRP 65 10.342 -2.977 -4.584
47 HA TRP 65 HA TRP 65 10.648 -0.105 -4.220
48 1HB TRP 65 HB2 TRP 65 9.522 -0.037 -6.675
49 2HB TRP 65 HB3 TRP 65 11.255 0.113 -6.401
50 HD1 TRP 65 HD1 TRP 65 12.550 -2.464 -6.441
51 HE1 TRP 65 HE1 TRP 65 12.231 -4.300 -8.208
52 HE3 TRP 65 HE3 TRP 65 8.039 -0.982 -8.334
53 HZ2 TRP 65 HZ2 TRP 65 10.320 -5.024 -10.160
54 HZ3 TRP 65 HZ3 TRP 65 7.034 -2.301 -10.153
55 HH2 TRP 65 HH2 TRP 65 8.153 -4.279 -11.046
56 H GLY 66 H GLY 66 8.370 -1.988 -6.161
57 1HA GLY 66 HA2 GLY 66 6.218 -1.044 -4.380
58 2HA GLY 66 HA3 GLY 66 6.013 -1.425 -6.083
59 H GLN 67 H GLN 67 7.819 -3.859 -5.540
60 HA GLN 67 HA GLN 67 5.765 -5.754 -5.301
61 1HB GLN 67 HB2 GLN 67 7.530 -7.416 -5.189
62 2HB GLN 67 HB3 GLN 67 7.938 -6.198 -6.389
63 1HG GLN 67 HG2 GLN 67 9.333 -5.090 -4.594
64 2HG GLN 67 HG3 GLN 67 9.095 -6.556 -3.643
65 1HE2 GLN 67 HE21 GLN 67 11.006 -7.532 -3.661
66 2HE2 GLN 67 HE22 GLN 67 11.917 -7.930 -5.074
67 HA PRO 68 HA PRO 68 5.016 -6.197 -0.987
68 1HB PRO 68 HB2 PRO 68 4.828 -8.933 -0.764
69 2HB PRO 68 HB3 PRO 68 3.534 -7.890 -1.358
70 1HG PRO 68 HG2 PRO 68 5.503 -9.529 -2.893
71 2HG PRO 68 HG3 PRO 68 3.776 -9.268 -3.203
72 1HD PRO 68 HD2 PRO 68 5.682 -7.981 -4.600
73 2HD PRO 68 HD3 PRO 68 4.136 -7.209 -4.193
74 H HIS 69 H HIS 69 6.215 -6.286 0.822
75 HA HIS 69 HA HIS 69 8.793 -7.704 0.682
76 1HB HIS 69 HB2 HIS 69 8.570 -5.074 0.949
77 2HB HIS 69 HB3 HIS 69 8.345 -5.501 2.642
78 HD1 HIS 69 HD1 HIS 69 10.413 -5.905 3.971
79 HD2 HIS 69 HD2 HIS 69 11.120 -6.038 -0.122
80 HE1 HIS 69 HE1 HIS 69 12.908 -6.101 3.726
81 HE2 HIS 69 HE2 HIS 69 13.318 -6.092 1.240
82 H GLY 70 H GLY 70 5.851 -8.179 1.887
83 1HA GLY 70 HA2 GLY 70 6.710 -10.018 3.863
84 2HA GLY 70 HA3 GLY 70 6.098 -8.561 4.631
85 H GLY 71 H GLY 71 4.879 -9.890 1.610
86 1HA GLY 71 HA2 GLY 71 2.979 -11.360 1.440
87 2HA GLY 71 HA3 GLY 71 2.465 -10.808 3.027
88 H GLY 72 H GLY 72 2.627 -10.021 -0.380
89 1HA GLY 72 HA2 GLY 72 1.413 -8.559 -1.668
90 2HA GLY 72 HA3 GLY 72 0.184 -8.668 -0.415
91 H TRP 73 H TRP 73 -0.068 -6.382 -1.253
92 HA TRP 73 HA TRP 73 1.365 -4.603 0.560
93 1HB TRP 73 HB2 TRP 73 1.314 -2.979 -1.594
94 2HB TRP 73 HB3 TRP 73 2.703 -3.973 -1.170
95 HD1 TRP 73 HD1 TRP 73 2.512 -6.587 -2.412
96 HE1 TRP 73 HE1 TRP 73 2.000 -7.047 -4.886
97 HE3 TRP 73 HE3 TRP 73 0.281 -2.148 -3.609
98 HZ2 TRP 73 HZ2 TRP 73 0.811 -5.700 -7.068
99 HZ3 TRP 73 HZ3 TRP 73 -0.515 -1.813 -5.914
100 HH2 TRP 73 HH2 TRP 73 -0.254 -3.554 -7.606
101 H GLY 74 H GLY 74 -0.719 -3.947 -2.222
102 1HA GLY 74 HA2 GLY 74 -2.599 -2.618 -0.390
103 2HA GLY 74 HA3 GLY 74 -2.444 -2.283 -2.107
104 H GLN 75 H GLN 75 -2.320 -5.282 -2.581
105 HA GLN 75 HA GLN 75 -5.031 -5.650 -3.224
106 1HB GLN 75 HB2 GLN 75 -4.417 -7.905 -3.849
107 2HB GLN 75 HB3 GLN 75 -3.153 -6.796 -4.364
108 1HG GLN 75 HG2 GLN 75 -1.977 -7.419 -2.180
109 2HG GLN 75 HG3 GLN 75 -3.114 -8.764 -2.109
110 1HE2 GLN 75 HE21 GLN 75 -1.136 -7.208 -4.617
111 2HE2 GLN 75 HE22 GLN 75 -0.450 -8.673 -5.224
112 HA PRO 76 HA PRO 76 -6.928 -7.082 0.481
113 1HB PRO 76 HB2 PRO 76 -8.566 -9.055 -0.513
114 2HB PRO 76 HB3 PRO 76 -8.929 -7.329 -0.585
115 1HG PRO 76 HG2 PRO 76 -7.795 -9.119 -2.691
116 2HG PRO 76 HG3 PRO 76 -8.994 -7.821 -2.847
117 1HD PRO 76 HD2 PRO 76 -6.420 -7.474 -3.554
118 2HD PRO 76 HD3 PRO 76 -7.383 -6.161 -2.844
119 H HIS 77 H HIS 77 -6.968 -8.805 1.973
120 HA HIS 77 HA HIS 77 -5.094 -10.982 1.329
121 1HB HIS 77 HB2 HIS 77 -4.849 -11.134 3.855
122 2HB HIS 77 HB3 HIS 77 -4.189 -9.687 3.101
123 HD1 HIS 77 HD1 HIS 77 -6.630 -10.822 5.605
124 HD2 HIS 77 HD2 HIS 77 -5.773 -7.321 3.535
125 HE1 HIS 77 HE1 HIS 77 -7.850 -8.998 6.834
126 HE2 HIS 77 HE2 HIS 77 -7.385 -6.902 5.515
127 H GLY 78 H GLY 78 -8.265 -10.202 2.555
128 1HA GLY 78 HA2 GLY 78 -8.812 -13.083 2.902
129 2HA GLY 78 HA3 GLY 78 -9.672 -11.803 3.743
130 H GLY 79 H GLY 79 -10.521 -10.095 1.947
131 1HA GLY 79 HA2 GLY 79 -11.460 -11.251 -0.487
132 2HA GLY 79 HA3 GLY 79 -12.716 -11.257 0.742
133 H GLY 80 H GLY 80 -10.261 -8.761 0.485
134 1HA GLY 80 HA2 GLY 80 -10.970 -6.826 -1.080
135 2HA GLY 80 HA3 GLY 80 -12.413 -6.833 -0.074
136 H TRP 81 H TRP 81 -11.632 -4.545 0.178
137 HA TRP 81 HA TRP 81 -10.095 -4.370 2.648
138 1HB TRP 81 HB2 TRP 81 -9.049 -2.211 1.415
139 2HB TRP 81 HB3 TRP 81 -8.258 -3.783 1.440
140 HD1 TRP 81 HD1 TRP 81 -9.080 -5.391 -0.822
141 HE1 TRP 81 HE1 TRP 81 -9.142 -4.631 -3.274
142 HE3 TRP 81 HE3 TRP 81 -9.233 -0.335 -0.092
143 HZ2 TRP 81 HZ2 TRP 81 -9.235 -2.202 -4.716
144 HZ3 TRP 81 HZ3 TRP 81 -9.305 1.138 -2.062
145 HH2 TRP 81 HH2 TRP 81 -9.305 0.222 -4.325
146 H GLY 82 H GLY 82 -11.087 -1.895 0.324
147 1HA GLY 82 HA2 GLY 82 -12.708 -0.669 2.449
148 2HA GLY 82 HA3 GLY 82 -12.060 0.171 1.049
149 H GLN 83 H GLN 83 -12.977 -2.252 -0.599
150 HA GLN 83 HA GLN 83 -15.346 -1.148 -1.580
151 1HB GLN 83 HB2 GLN 83 -15.579 -3.177 -2.886
152 2HB GLN 83 HB3 GLN 83 -13.891 -2.687 -2.855
153 1HG GLN 83 HG2 GLN 83 -13.651 -4.340 -0.912
154 2HG GLN 83 HG3 GLN 83 -15.207 -4.974 -1.444
155 1HE2 GLN 83 HE21 GLN 83 -11.906 -5.175 -1.802
156 2HE2 GLN 83 HE22 GLN 83 -11.847 -6.069 -3.280
157 HA PRO 84 HA PRO 84 -18.560 -2.484 1.114
158 1HB PRO 84 HB2 PRO 84 -20.538 -3.116 -0.674
159 2HB PRO 84 HB3 PRO 84 -20.119 -1.464 -0.212
160 1HG PRO 84 HG2 PRO 84 -19.314 -3.018 -2.636
161 2HG PRO 84 HG3 PRO 84 -19.800 -1.318 -2.504
162 1HD PRO 84 HD2 PRO 84 -17.218 -2.051 -2.725
163 2HD PRO 84 HD3 PRO 84 -17.718 -0.649 -1.756
164 H HIS 85 H HIS 85 -19.634 -4.316 1.914
165 HA HIS 85 HA HIS 85 -18.714 -6.855 0.746
166 1HB HIS 85 HB2 HIS 85 -18.195 -6.010 3.224
167 2HB HIS 85 HB3 HIS 85 -19.766 -6.743 3.528
168 HD1 HIS 85 HD1 HIS 85 -19.587 -9.089 4.253
169 HD2 HIS 85 HD2 HIS 85 -16.477 -8.030 1.710
170 HE1 HIS 85 HE1 HIS 85 -18.145 -11.141 4.065
171 HE2 HIS 85 HE2 HIS 85 -16.223 -10.448 2.591
172 H GLY 86 H GLY 86 -21.494 -5.050 1.831
173 1HA GLY 86 HA2 GLY 86 -23.231 -7.340 1.165
174 2HA GLY 86 HA3 GLY 86 -23.688 -6.004 2.212
175 H GLY 87 H GLY 87 -23.396 -3.776 0.974
176 1HA GLY 87 HA2 GLY 87 -23.979 -3.835 -1.830
177 2HA GLY 87 HA3 GLY 87 -25.417 -3.543 -0.864
178 H GLY 88 H GLY 88 -22.239 -2.418 0.085
179 1HA GLY 88 HA2 GLY 88 -21.616 -0.110 -0.852
180 2HA GLY 88 HA3 GLY 88 -23.212 0.341 -0.268
181 H TRP 89 H TRP 89 -21.895 1.944 0.925
182 HA TRP 89 HA TRP 89 -21.286 0.908 3.577
183 1HB TRP 89 HB2 TRP 89 -19.240 2.656 3.399
184 2HB TRP 89 HB3 TRP 89 -19.070 0.937 3.063
185 HD1 TRP 89 HD1 TRP 89 -19.583 0.371 0.269
186 HE1 TRP 89 HE1 TRP 89 -18.580 1.626 -1.735
187 HE3 TRP 89 HE3 TRP 89 -18.284 4.727 2.609
188 HZ2 TRP 89 HZ2 TRP 89 -17.385 4.131 -2.259
189 HZ3 TRP 89 HZ3 TRP 89 -17.213 6.502 1.284
190 HH2 TRP 89 HH2 TRP 89 -16.773 6.208 -1.100
191 H GLY 90 H GLY 90 -20.550 4.030 2.096
192 1HA GLY 90 HA2 GLY 90 -22.755 5.246 3.612
193 2HA GLY 90 HA3 GLY 90 -21.124 5.863 3.829
194 H GLN 91 H GLN 91 -22.049 4.706 0.710
195 HA GLN 91 HA GLN 91 -21.496 7.196 -0.524
196 1HB GLN 91 HB2 GLN 91 -23.044 4.988 -1.852
197 2HB GLN 91 HB3 GLN 91 -21.899 6.114 -2.569
198 1HG GLN 91 HG2 GLN 91 -20.131 4.970 -1.136
199 2HG GLN 91 HG3 GLN 91 -21.337 3.713 -0.864
200 1HE2 GLN 91 HE21 GLN 91 -20.912 2.028 -2.085
201 2HE2 GLN 91 HE22 GLN 91 -20.413 2.064 -3.738
Start of MODEL 9
1 H TRP 57 H TRP 57 13.548 7.655 -12.459
2 HA TRP 57 HA TRP 57 14.032 5.451 -12.058
3 1HB TRP 57 HB2 TRP 57 13.585 7.143 -10.116
4 2HB TRP 57 HB3 TRP 57 12.194 6.119 -9.778
5 HD1 TRP 57 HD1 TRP 57 12.811 4.664 -7.768
6 HE1 TRP 57 HE1 TRP 57 14.836 3.233 -7.077
7 HE3 TRP 57 HE3 TRP 57 15.958 5.788 -11.637
8 HZ2 TRP 57 HZ2 TRP 57 17.425 2.658 -8.044
9 HZ3 TRP 57 HZ3 TRP 57 18.191 4.757 -11.679
10 HH2 TRP 57 HH2 TRP 57 18.909 3.224 -9.919
11 H GLY 58 H GLY 58 13.458 3.299 -11.861
12 1HA GLY 58 HA2 GLY 58 10.692 2.516 -11.593
13 2HA GLY 58 HA3 GLY 58 11.341 2.278 -13.208
14 H GLN 59 H GLN 59 13.336 1.953 -10.365
15 HA GLN 59 HA GLN 59 12.994 -0.848 -10.030
16 1HB GLN 59 HB2 GLN 59 15.084 -1.641 -10.947
17 2HB GLN 59 HB3 GLN 59 14.173 -0.830 -12.214
18 1HG GLN 59 HG2 GLN 59 15.576 1.234 -11.616
19 2HG GLN 59 HG3 GLN 59 16.628 0.096 -10.778
20 1HE2 GLN 59 HE21 GLN 59 14.990 0.477 -13.902
21 2HE2 GLN 59 HE22 GLN 59 16.306 -0.102 -14.858
22 HA PRO 60 HA PRO 60 15.004 0.116 -6.230
23 1HB PRO 60 HB2 PRO 60 16.124 -2.272 -5.569
24 2HB PRO 60 HB3 PRO 60 14.389 -1.956 -5.461
25 1HG PRO 60 HG2 PRO 60 15.928 -3.364 -7.607
26 2HG PRO 60 HG3 PRO 60 14.374 -3.802 -6.873
27 1HD PRO 60 HD2 PRO 60 14.551 -2.581 -9.281
28 2HD PRO 60 HD3 PRO 60 13.196 -2.301 -8.168
29 H HIS 61 H HIS 61 16.930 0.873 -5.491
30 HA HIS 61 HA HIS 61 19.215 0.634 -7.294
31 1HB HIS 61 HB2 HIS 61 18.186 2.828 -6.168
32 2HB HIS 61 HB3 HIS 61 19.317 2.387 -4.893
33 HD1 HIS 61 HD1 HIS 61 21.022 4.209 -5.250
34 HD2 HIS 61 HD2 HIS 61 20.173 2.094 -8.724
35 HE1 HIS 61 HE1 HIS 61 22.721 4.978 -6.936
36 HE2 HIS 61 HE2 HIS 61 22.241 3.622 -9.004
37 H GLY 62 H GLY 62 18.151 -1.179 -4.865
38 1HA GLY 62 HA2 GLY 62 20.320 -2.684 -4.372
39 2HA GLY 62 HA3 GLY 62 20.571 -1.334 -3.276
40 H GLY 63 H GLY 63 17.555 -2.964 -4.201
41 1HA GLY 63 HA2 GLY 63 17.179 -4.681 -2.116
42 2HA GLY 63 HA3 GLY 63 16.742 -3.117 -1.447
43 H GLY 64 H GLY 64 14.867 -2.086 -2.138
44 1HA GLY 64 HA2 GLY 64 13.254 -3.292 -4.228
45 2HA GLY 64 HA3 GLY 64 12.611 -3.469 -2.602
46 H TRP 65 H TRP 65 10.790 -2.258 -3.486
47 HA TRP 65 HA TRP 65 11.168 0.598 -3.058
48 1HB TRP 65 HB2 TRP 65 9.490 0.771 -5.165
49 2HB TRP 65 HB3 TRP 65 11.238 0.912 -5.311
50 HD1 TRP 65 HD1 TRP 65 12.452 -1.679 -5.758
51 HE1 TRP 65 HE1 TRP 65 11.699 -3.422 -7.487
52 HE3 TRP 65 HE3 TRP 65 7.656 -0.068 -6.489
53 HZ2 TRP 65 HZ2 TRP 65 9.377 -4.034 -8.976
54 HZ3 TRP 65 HZ3 TRP 65 6.235 -1.288 -8.086
55 HH2 TRP 65 HH2 TRP 65 7.079 -3.228 -9.303
56 H GLY 66 H GLY 66 8.475 -1.190 -4.491
57 1HA GLY 66 HA2 GLY 66 6.885 -0.525 -2.091
58 2HA GLY 66 HA3 GLY 66 6.230 -0.483 -3.720
59 H GLN 67 H GLN 67 8.402 -3.050 -3.149
60 HA GLN 67 HA GLN 67 6.311 -4.985 -3.474
61 1HB GLN 67 HB2 GLN 67 8.088 -6.630 -3.489
62 2HB GLN 67 HB3 GLN 67 8.556 -5.258 -4.484
63 1HG GLN 67 HG2 GLN 67 9.977 -4.417 -2.716
64 2HG GLN 67 HG3 GLN 67 9.458 -5.725 -1.652
65 1HE2 GLN 67 HE21 GLN 67 11.529 -4.785 -4.216
66 2HE2 GLN 67 HE22 GLN 67 12.378 -6.282 -4.379
67 HA PRO 68 HA PRO 68 5.371 -5.981 0.709
68 1HB PRO 68 HB2 PRO 68 5.198 -8.716 0.592
69 2HB PRO 68 HB3 PRO 68 3.933 -7.620 0.030
70 1HG PRO 68 HG2 PRO 68 6.039 -9.050 -1.540
71 2HG PRO 68 HG3 PRO 68 4.328 -8.792 -1.932
72 1HD PRO 68 HD2 PRO 68 6.281 -7.315 -3.048
73 2HD PRO 68 HD3 PRO 68 4.691 -6.627 -2.658
74 H HIS 69 H HIS 69 6.200 -6.929 2.636
75 HA HIS 69 HA HIS 69 9.036 -7.688 2.424
76 1HB HIS 69 HB2 HIS 69 8.588 -5.586 3.650
77 2HB HIS 69 HB3 HIS 69 7.574 -6.476 4.780
78 HD1 HIS 69 HD1 HIS 69 9.335 -5.499 6.572
79 HD2 HIS 69 HD2 HIS 69 10.774 -8.386 3.952
80 HE1 HIS 69 HE1 HIS 69 11.465 -6.343 7.607
81 HE2 HIS 69 HE2 HIS 69 12.362 -8.027 5.963
82 H GLY 70 H GLY 70 5.924 -8.573 3.736
83 1HA GLY 70 HA2 GLY 70 7.058 -11.183 4.478
84 2HA GLY 70 HA3 GLY 70 6.073 -10.313 5.645
85 H GLY 71 H GLY 71 5.343 -10.158 2.244
86 1HA GLY 71 HA2 GLY 71 3.867 -11.734 1.113
87 2HA GLY 71 HA3 GLY 71 3.107 -12.038 2.668
88 H GLY 72 H GLY 72 3.276 -9.942 -0.087
89 1HA GLY 72 HA2 GLY 72 1.886 -8.276 -0.837
90 2HA GLY 72 HA3 GLY 72 0.651 -9.025 0.167
91 H TRP 73 H TRP 73 0.129 -6.593 0.153
92 HA TRP 73 HA TRP 73 1.102 -5.513 2.676
93 1HB TRP 73 HB2 TRP 73 1.075 -3.200 1.291
94 2HB TRP 73 HB3 TRP 73 2.530 -4.162 1.527
95 HD1 TRP 73 HD1 TRP 73 2.844 -6.099 -0.606
96 HE1 TRP 73 HE1 TRP 73 2.673 -5.614 -3.123
97 HE3 TRP 73 HE3 TRP 73 0.161 -1.753 -0.409
98 HZ2 TRP 73 HZ2 TRP 73 1.554 -3.642 -4.808
99 HZ3 TRP 73 HZ3 TRP 73 -0.418 -0.629 -2.520
100 HH2 TRP 73 HH2 TRP 73 0.267 -1.554 -4.673
101 H GLY 74 H GLY 74 -0.713 -3.972 0.062
102 1HA GLY 74 HA2 GLY 74 -3.066 -3.933 1.849
103 2HA GLY 74 HA3 GLY 74 -2.624 -2.581 0.817
104 H GLN 75 H GLN 75 -2.145 -5.682 -0.549
105 HA GLN 75 HA GLN 75 -4.133 -5.176 -2.557
106 1HB GLN 75 HB2 GLN 75 -3.313 -7.201 -3.607
107 2HB GLN 75 HB3 GLN 75 -1.951 -6.226 -3.075
108 1HG GLN 75 HG2 GLN 75 -1.651 -7.650 -1.138
109 2HG GLN 75 HG3 GLN 75 -3.061 -8.603 -1.600
110 1HE2 GLN 75 HE21 GLN 75 0.102 -7.549 -2.784
111 2HE2 GLN 75 HE22 GLN 75 0.446 -8.988 -3.675
112 HA PRO 76 HA PRO 76 -7.570 -7.394 -0.928
113 1HB PRO 76 HB2 PRO 76 -8.525 -8.656 -3.161
114 2HB PRO 76 HB3 PRO 76 -8.773 -6.942 -2.818
115 1HG PRO 76 HG2 PRO 76 -6.760 -8.246 -4.605
116 2HG PRO 76 HG3 PRO 76 -7.719 -6.779 -4.881
117 1HD PRO 76 HD2 PRO 76 -5.134 -6.674 -4.136
118 2HD PRO 76 HD3 PRO 76 -6.318 -5.470 -3.590
119 H HIS 77 H HIS 77 -8.294 -9.457 -0.301
120 HA HIS 77 HA HIS 77 -6.289 -11.572 -0.651
121 1HB HIS 77 HB2 HIS 77 -6.763 -10.885 1.666
122 2HB HIS 77 HB3 HIS 77 -8.461 -11.293 1.439
123 HD1 HIS 77 HD1 HIS 77 -8.137 -12.979 3.455
124 HD2 HIS 77 HD2 HIS 77 -5.999 -13.887 0.009
125 HE1 HIS 77 HE1 HIS 77 -7.410 -15.371 3.726
126 HE2 HIS 77 HE2 HIS 77 -6.048 -15.872 1.666
127 H GLY 78 H GLY 78 -9.659 -10.795 -1.124
128 1HA GLY 78 HA2 GLY 78 -9.945 -13.208 -2.746
129 2HA GLY 78 HA3 GLY 78 -11.058 -13.023 -1.398
130 H GLY 79 H GLY 79 -9.906 -10.257 -3.184
131 1HA GLY 79 HA2 GLY 79 -11.647 -9.992 -5.258
132 2HA GLY 79 HA3 GLY 79 -12.611 -9.534 -3.861
133 H GLY 80 H GLY 80 -12.519 -7.482 -3.191
134 1HA GLY 80 HA2 GLY 80 -10.279 -5.825 -4.184
135 2HA GLY 80 HA3 GLY 80 -11.940 -5.252 -4.159
136 H TRP 81 H TRP 81 -11.148 -3.462 -2.909
137 HA TRP 81 HA TRP 81 -11.188 -4.053 -0.060
138 1HB TRP 81 HB2 TRP 81 -9.224 -2.200 -0.006
139 2HB TRP 81 HB3 TRP 81 -8.918 -3.933 0.005
140 HD1 TRP 81 HD1 TRP 81 -8.638 -4.968 -2.673
141 HE1 TRP 81 HE1 TRP 81 -7.200 -3.964 -4.550
142 HE3 TRP 81 HE3 TRP 81 -8.208 -0.196 -0.893
143 HZ2 TRP 81 HZ2 TRP 81 -6.027 -1.474 -5.190
144 HZ3 TRP 81 HZ3 TRP 81 -6.909 1.436 -2.197
145 HH2 TRP 81 HH2 TRP 81 -5.840 0.808 -4.301
146 H GLY 82 H GLY 82 -10.213 -1.144 -1.819
147 1HA GLY 82 HA2 GLY 82 -12.550 0.226 -0.647
148 2HA GLY 82 HA3 GLY 82 -11.017 1.007 -1.009
149 H GLN 83 H GLN 83 -11.054 -0.681 -3.600
150 HA GLN 83 HA GLN 83 -11.922 1.333 -5.323
151 1HB GLN 83 HB2 GLN 83 -11.656 -0.288 -7.112
152 2HB GLN 83 HB3 GLN 83 -10.341 -0.455 -5.957
153 1HG GLN 83 HG2 GLN 83 -11.628 -2.342 -4.918
154 2HG GLN 83 HG3 GLN 83 -12.733 -2.241 -6.288
155 1HE2 GLN 83 HE21 GLN 83 -9.223 -2.290 -5.740
156 2HE2 GLN 83 HE22 GLN 83 -8.875 -3.448 -6.975
157 HA PRO 84 HA PRO 84 -16.300 0.965 -5.625
158 1HB PRO 84 HB2 PRO 84 -16.684 1.288 -8.323
159 2HB PRO 84 HB3 PRO 84 -16.363 2.614 -7.203
160 1HG PRO 84 HG2 PRO 84 -14.482 1.180 -9.029
161 2HG PRO 84 HG3 PRO 84 -14.590 2.912 -8.665
162 1HD PRO 84 HD2 PRO 84 -12.711 1.340 -7.551
163 2HD PRO 84 HD3 PRO 84 -13.446 2.692 -6.667
164 H HIS 85 H HIS 85 -18.034 -0.342 -6.474
165 HA HIS 85 HA HIS 85 -17.106 -2.903 -7.596
166 1HB HIS 85 HB2 HIS 85 -19.526 -2.569 -5.827
167 2HB HIS 85 HB3 HIS 85 -18.730 -4.065 -6.302
168 HD1 HIS 85 HD1 HIS 85 -17.492 -5.035 -4.408
169 HD2 HIS 85 HD2 HIS 85 -17.413 -0.881 -4.323
170 HE1 HIS 85 HE1 HIS 85 -16.135 -4.429 -2.378
171 HE2 HIS 85 HE2 HIS 85 -16.028 -1.913 -2.397
172 H GLY 86 H GLY 86 -17.639 -2.872 -9.683
173 1HA GLY 86 HA2 GLY 86 -19.243 -3.249 -11.379
174 2HA GLY 86 HA3 GLY 86 -20.458 -2.485 -10.367
175 H GLY 87 H GLY 87 -18.589 -0.204 -9.819
176 1HA GLY 87 HA2 GLY 87 -17.572 1.231 -11.801
177 2HA GLY 87 HA3 GLY 87 -19.277 1.307 -12.218
178 H GLY 88 H GLY 88 -16.807 2.356 -10.003
179 1HA GLY 88 HA2 GLY 88 -16.746 4.082 -8.488
180 2HA GLY 88 HA3 GLY 88 -18.082 4.773 -9.398
181 H TRP 89 H TRP 89 -18.909 5.565 -7.399
182 HA TRP 89 HA TRP 89 -20.551 3.579 -6.025
183 1HB TRP 89 HB2 TRP 89 -19.896 5.140 -3.903
184 2HB TRP 89 HB3 TRP 89 -19.099 3.617 -4.283
185 HD1 TRP 89 HD1 TRP 89 -16.875 4.063 -6.098
186 HE1 TRP 89 HE1 TRP 89 -15.014 5.803 -5.794
187 HE3 TRP 89 HE3 TRP 89 -19.269 7.242 -2.893
188 HZ2 TRP 89 HZ2 TRP 89 -14.606 8.212 -4.372
189 HZ3 TRP 89 HZ3 TRP 89 -18.072 9.242 -2.106
190 HH2 TRP 89 HH2 TRP 89 -15.789 9.716 -2.831
191 H GLY 90 H GLY 90 -19.846 6.963 -5.278
192 1HA GLY 90 HA2 GLY 90 -22.564 7.673 -6.166
193 2HA GLY 90 HA3 GLY 90 -22.014 8.127 -4.561
194 H GLN 91 H GLN 91 -19.601 8.173 -6.986
195 HA GLN 91 HA GLN 91 -19.040 10.895 -6.657
196 1HB GLN 91 HB2 GLN 91 -17.679 10.571 -8.799
197 2HB GLN 91 HB3 GLN 91 -17.269 9.554 -7.424
198 1HG GLN 91 HG2 GLN 91 -18.267 7.663 -8.382
199 2HG GLN 91 HG3 GLN 91 -19.133 8.624 -9.579
200 1HE2 GLN 91 HE21 GLN 91 -15.890 7.684 -8.548
201 2HE2 GLN 91 HE22 GLN 91 -15.182 7.725 -10.124
Start of MODEL 10
1 H TRP 57 H TRP 57 18.137 5.853 -12.329
2 HA TRP 57 HA TRP 57 18.693 4.287 -9.899
3 1HB TRP 57 HB2 TRP 57 16.551 5.881 -10.322
4 2HB TRP 57 HB3 TRP 57 16.002 4.420 -11.136
5 HD1 TRP 57 HD1 TRP 57 17.719 5.110 -7.708
6 HE1 TRP 57 HE1 TRP 57 16.475 3.737 -5.921
7 HE3 TRP 57 HE3 TRP 57 14.214 2.881 -10.689
8 HZ2 TRP 57 HZ2 TRP 57 14.297 1.946 -5.792
9 HZ3 TRP 57 HZ3 TRP 57 12.587 1.352 -9.656
10 HH2 TRP 57 HH2 TRP 57 12.630 0.894 -7.258
11 H GLY 58 H GLY 58 16.980 2.252 -10.429
12 1HA GLY 58 HA2 GLY 58 16.602 1.046 -12.760
13 2HA GLY 58 HA3 GLY 58 18.349 0.912 -12.630
14 H GLN 59 H GLN 59 18.291 0.603 -9.721
15 HA GLN 59 HA GLN 59 16.995 -2.022 -9.470
16 1HB GLN 59 HB2 GLN 59 18.957 -2.974 -8.448
17 2HB GLN 59 HB3 GLN 59 19.413 -2.295 -10.005
18 1HG GLN 59 HG2 GLN 59 20.203 -0.258 -8.781
19 2HG GLN 59 HG3 GLN 59 19.933 -1.139 -7.278
20 1HE2 GLN 59 HE21 GLN 59 21.985 -1.349 -6.588
21 2HE2 GLN 59 HE22 GLN 59 23.223 -2.203 -7.441
22 HA PRO 60 HA PRO 60 15.607 -0.555 -5.549
23 1HB PRO 60 HB2 PRO 60 15.471 -2.853 -4.121
24 2HB PRO 60 HB3 PRO 60 14.325 -2.454 -5.402
25 1HG PRO 60 HG2 PRO 60 16.714 -4.248 -5.490
26 2HG PRO 60 HG3 PRO 60 15.102 -4.494 -6.188
27 1HD PRO 60 HD2 PRO 60 17.232 -3.672 -7.658
28 2HD PRO 60 HD3 PRO 60 15.565 -3.190 -8.030
29 H HIS 61 H HIS 61 16.499 0.301 -3.751
30 HA HIS 61 HA HIS 61 19.172 -0.658 -2.986
31 1HB HIS 61 HB2 HIS 61 18.006 2.027 -2.273
32 2HB HIS 61 HB3 HIS 61 19.693 1.527 -2.239
33 HD1 HIS 61 HD1 HIS 61 18.518 4.011 -3.839
34 HD2 HIS 61 HD2 HIS 61 19.506 0.302 -5.429
35 HE1 HIS 61 HE1 HIS 61 18.949 4.420 -6.282
36 HE2 HIS 61 HE2 HIS 61 19.463 2.147 -7.240
37 H GLY 62 H GLY 62 18.966 -2.059 -1.365
38 1HA GLY 62 HA2 GLY 62 18.824 -2.302 1.023
39 2HA GLY 62 HA3 GLY 62 17.482 -1.166 1.016
40 H GLY 63 H GLY 63 16.197 -2.472 -1.289
41 1HA GLY 63 HA2 GLY 63 15.627 -5.067 -1.282
42 2HA GLY 63 HA3 GLY 63 14.868 -4.578 0.226
43 H GLY 64 H GLY 64 14.717 -4.457 -3.241
44 1HA GLY 64 HA2 GLY 64 13.056 -3.815 -4.697
45 2HA GLY 64 HA3 GLY 64 11.961 -4.268 -3.399
46 H TRP 65 H TRP 65 10.624 -2.552 -4.290
47 HA TRP 65 HA TRP 65 11.297 0.027 -3.069
48 1HB TRP 65 HB2 TRP 65 9.938 0.865 -5.274
49 2HB TRP 65 HB3 TRP 65 11.694 0.833 -5.150
50 HD1 TRP 65 HD1 TRP 65 12.661 -1.831 -5.917
51 HE1 TRP 65 HE1 TRP 65 12.087 -3.031 -8.112
52 HE3 TRP 65 HE3 TRP 65 8.382 0.693 -7.108
53 HZ2 TRP 65 HZ2 TRP 65 10.081 -2.917 -10.101
54 HZ3 TRP 65 HZ3 TRP 65 7.195 0.088 -9.177
55 HH2 TRP 65 HH2 TRP 65 8.028 -1.679 -10.642
56 H GLY 66 H GLY 66 8.615 -0.969 -5.147
57 1HA GLY 66 HA2 GLY 66 6.782 -0.331 -2.931
58 2HA GLY 66 HA3 GLY 66 6.369 -0.250 -4.637
59 H GLN 67 H GLN 67 7.854 -2.890 -4.986
60 HA GLN 67 HA GLN 67 5.615 -4.575 -4.901
61 1HB GLN 67 HB2 GLN 67 7.135 -6.365 -5.497
62 2HB GLN 67 HB3 GLN 67 7.562 -4.912 -6.391
63 1HG GLN 67 HG2 GLN 67 9.294 -4.492 -4.583
64 2HG GLN 67 HG3 GLN 67 8.982 -6.144 -4.054
65 1HE2 GLN 67 HE21 GLN 67 10.354 -7.567 -4.819
66 2HE2 GLN 67 HE22 GLN 67 11.174 -7.486 -6.337
67 HA PRO 68 HA PRO 68 5.431 -6.079 -0.766
68 1HB PRO 68 HB2 PRO 68 4.786 -8.707 -1.167
69 2HB PRO 68 HB3 PRO 68 3.632 -7.379 -1.325
70 1HG PRO 68 HG2 PRO 68 5.144 -8.839 -3.452
71 2HG PRO 68 HG3 PRO 68 3.454 -8.305 -3.445
72 1HD PRO 68 HD2 PRO 68 5.380 -6.956 -4.764
73 2HD PRO 68 HD3 PRO 68 4.007 -6.132 -3.998
74 H HIS 69 H HIS 69 6.564 -7.268 0.791
75 HA HIS 69 HA HIS 69 9.121 -8.351 -0.155
76 1HB HIS 69 HB2 HIS 69 9.757 -8.103 2.305
77 2HB HIS 69 HB3 HIS 69 9.497 -6.613 1.404
78 HD1 HIS 69 HD1 HIS 69 7.253 -5.317 1.913
79 HD2 HIS 69 HD2 HIS 69 8.081 -8.496 4.457
80 HE1 HIS 69 HE1 HIS 69 5.732 -5.009 3.892
81 HE2 HIS 69 HE2 HIS 69 6.189 -6.991 5.378
82 H GLY 70 H GLY 70 6.231 -9.160 1.626
83 1HA GLY 70 HA2 GLY 70 6.570 -11.933 1.263
84 2HA GLY 70 HA3 GLY 70 7.081 -11.510 2.890
85 H GLY 71 H GLY 71 4.483 -9.959 1.079
86 1HA GLY 71 HA2 GLY 71 2.373 -11.446 2.276
87 2HA GLY 71 HA3 GLY 71 2.650 -9.950 3.155
88 H GLY 72 H GLY 72 2.873 -7.977 1.596
89 1HA GLY 72 HA2 GLY 72 1.741 -7.833 -0.904
90 2HA GLY 72 HA3 GLY 72 0.377 -7.791 0.205
91 H TRP 73 H TRP 73 -0.037 -5.674 -0.680
92 HA TRP 73 HA TRP 73 1.377 -3.612 0.816
93 1HB TRP 73 HB2 TRP 73 1.128 -2.268 -1.513
94 2HB TRP 73 HB3 TRP 73 2.596 -3.117 -1.042
95 HD1 TRP 73 HD1 TRP 73 2.547 -5.861 -1.953
96 HE1 TRP 73 HE1 TRP 73 1.956 -6.659 -4.321
97 HE3 TRP 73 HE3 TRP 73 -0.069 -1.772 -3.551
98 HZ2 TRP 73 HZ2 TRP 73 0.569 -5.681 -6.580
99 HZ3 TRP 73 HZ3 TRP 73 -0.995 -1.783 -5.831
100 HH2 TRP 73 HH2 TRP 73 -0.681 -3.697 -7.313
101 H GLY 74 H GLY 74 -0.861 -3.410 -1.916
102 1HA GLY 74 HA2 GLY 74 -2.749 -2.002 -0.149
103 2HA GLY 74 HA3 GLY 74 -2.672 -1.828 -1.896
104 H GLN 75 H GLN 75 -2.362 -4.867 -2.033
105 HA GLN 75 HA GLN 75 -5.082 -5.448 -2.526
106 1HB GLN 75 HB2 GLN 75 -4.339 -7.705 -2.997
107 2HB GLN 75 HB3 GLN 75 -3.198 -6.558 -3.685
108 1HG GLN 75 HG2 GLN 75 -1.813 -6.898 -1.592
109 2HG GLN 75 HG3 GLN 75 -2.871 -8.264 -1.239
110 1HE2 GLN 75 HE21 GLN 75 -2.208 -10.154 -1.947
111 2HE2 GLN 75 HE22 GLN 75 -1.120 -10.429 -3.261
112 HA PRO 76 HA PRO 76 -6.640 -6.752 1.381
113 1HB PRO 76 HB2 PRO 76 -8.203 -8.880 0.665
114 2HB PRO 76 HB3 PRO 76 -8.670 -7.194 0.426
115 1HG PRO 76 HG2 PRO 76 -7.514 -9.137 -1.531
116 2HG PRO 76 HG3 PRO 76 -8.808 -7.947 -1.763
117 1HD PRO 76 HD2 PRO 76 -6.287 -7.518 -2.624
118 2HD PRO 76 HD3 PRO 76 -7.323 -6.200 -2.039
119 H HIS 77 H HIS 77 -6.287 -8.224 3.023
120 HA HIS 77 HA HIS 77 -4.353 -10.344 2.404
121 1HB HIS 77 HB2 HIS 77 -4.005 -8.415 4.167
122 2HB HIS 77 HB3 HIS 77 -4.959 -9.475 5.199
123 HD1 HIS 77 HD1 HIS 77 -2.146 -8.975 6.072
124 HD2 HIS 77 HD2 HIS 77 -3.150 -12.049 3.463
125 HE1 HIS 77 HE1 HIS 77 -0.281 -10.651 6.258
126 HE2 HIS 77 HE2 HIS 77 -0.953 -12.541 4.734
127 H GLY 78 H GLY 78 -7.553 -10.173 2.604
128 1HA GLY 78 HA2 GLY 78 -8.165 -12.793 2.787
129 2HA GLY 78 HA3 GLY 78 -8.065 -12.319 4.477
130 H GLY 79 H GLY 79 -9.056 -9.578 3.782
131 1HA GLY 79 HA2 GLY 79 -11.902 -10.319 3.497
132 2HA GLY 79 HA3 GLY 79 -11.325 -8.990 4.490
133 H GLY 80 H GLY 80 -10.430 -7.114 3.412
134 1HA GLY 80 HA2 GLY 80 -10.612 -6.799 0.585
135 2HA GLY 80 HA3 GLY 80 -12.020 -6.113 1.382
136 H TRP 81 H TRP 81 -11.341 -4.068 0.537
137 HA TRP 81 HA TRP 81 -9.463 -2.730 2.321
138 1HB TRP 81 HB2 TRP 81 -8.750 -1.500 0.022
139 2HB TRP 81 HB3 TRP 81 -7.866 -2.859 0.708
140 HD1 TRP 81 HD1 TRP 81 -8.919 -5.373 -0.271
141 HE1 TRP 81 HE1 TRP 81 -9.389 -5.960 -2.725
142 HE3 TRP 81 HE3 TRP 81 -9.260 -0.643 -2.177
143 HZ2 TRP 81 HZ2 TRP 81 -9.839 -4.597 -5.160
144 HZ3 TRP 81 HZ3 TRP 81 -9.711 -0.372 -4.580
145 HH2 TRP 81 HH2 TRP 81 -9.994 -2.310 -6.040
146 H GLY 82 H GLY 82 -10.919 -1.699 -0.732
147 1HA GLY 82 HA2 GLY 82 -12.419 0.341 0.789
148 2HA GLY 82 HA3 GLY 82 -11.809 0.575 -0.841
149 H GLN 83 H GLN 83 -13.051 -2.539 -0.403
150 HA GLN 83 HA GLN 83 -15.432 -1.813 -1.934
151 1HB GLN 83 HB2 GLN 83 -15.580 -4.156 -2.518
152 2HB GLN 83 HB3 GLN 83 -13.938 -3.592 -2.798
153 1HG GLN 83 HG2 GLN 83 -13.361 -4.546 -0.533
154 2HG GLN 83 HG3 GLN 83 -14.946 -5.316 -0.556
155 1HE2 GLN 83 HE21 GLN 83 -15.305 -7.050 -1.884
156 2HE2 GLN 83 HE22 GLN 83 -14.047 -7.851 -2.757
157 HA PRO 84 HA PRO 84 -18.245 -2.454 1.397
158 1HB PRO 84 HB2 PRO 84 -20.360 -3.607 0.129
159 2HB PRO 84 HB3 PRO 84 -19.962 -1.892 -0.018
160 1HG PRO 84 HG2 PRO 84 -19.341 -4.148 -1.885
161 2HG PRO 84 HG3 PRO 84 -19.916 -2.512 -2.258
162 1HD PRO 84 HD2 PRO 84 -17.326 -3.219 -2.522
163 2HD PRO 84 HD3 PRO 84 -17.814 -1.584 -2.034
164 H HIS 85 H HIS 85 -18.686 -3.956 2.928
165 HA HIS 85 HA HIS 85 -17.849 -6.701 2.372
166 1HB HIS 85 HB2 HIS 85 -18.413 -5.289 4.988
167 2HB HIS 85 HB3 HIS 85 -17.874 -6.959 4.844
168 HD1 HIS 85 HD1 HIS 85 -15.418 -7.308 4.880
169 HD2 HIS 85 HD2 HIS 85 -16.423 -3.399 3.889
170 HE1 HIS 85 HE1 HIS 85 -13.236 -6.064 4.752
171 HE2 HIS 85 HE2 HIS 85 -13.863 -3.722 4.065
172 H GLY 86 H GLY 86 -20.657 -4.821 3.251
173 1HA GLY 86 HA2 GLY 86 -22.249 -7.313 3.272
174 2HA GLY 86 HA3 GLY 86 -22.649 -5.905 4.244
175 H GLY 87 H GLY 87 -22.507 -3.827 2.560
176 1HA GLY 87 HA2 GLY 87 -23.655 -4.284 0.000
177 2HA GLY 87 HA3 GLY 87 -24.904 -3.882 1.169
178 H GLY 88 H GLY 88 -22.084 -2.722 -0.544
179 1HA GLY 88 HA2 GLY 88 -21.497 -0.583 -1.159
180 2HA GLY 88 HA3 GLY 88 -23.068 -0.053 -0.572
181 H TRP 89 H TRP 89 -21.599 1.815 0.012
182 HA TRP 89 HA TRP 89 -20.891 1.543 2.820
183 1HB TRP 89 HB2 TRP 89 -18.782 3.050 2.084
184 2HB TRP 89 HB3 TRP 89 -18.703 1.299 2.242
185 HD1 TRP 89 HD1 TRP 89 -19.360 -0.003 -0.258
186 HE1 TRP 89 HE1 TRP 89 -18.404 0.586 -2.569
187 HE3 TRP 89 HE3 TRP 89 -17.795 4.768 0.706
188 HZ2 TRP 89 HZ2 TRP 89 -17.141 2.782 -3.820
189 HZ3 TRP 89 HZ3 TRP 89 -16.720 6.044 -1.102
190 HH2 TRP 89 HH2 TRP 89 -16.400 5.070 -3.317
191 H GLY 90 H GLY 90 -20.111 4.062 0.468
192 1HA GLY 90 HA2 GLY 90 -22.170 5.784 1.668
193 2HA GLY 90 HA3 GLY 90 -20.506 6.347 1.606
194 H GLN 91 H GLN 91 -21.664 4.383 -0.984
195 HA GLN 91 HA GLN 91 -21.125 6.393 -2.913
196 1HB GLN 91 HB2 GLN 91 -22.770 3.942 -3.475
197 2HB GLN 91 HB3 GLN 91 -21.644 4.779 -4.535
198 1HG GLN 91 HG2 GLN 91 -19.824 4.044 -2.920
199 2HG GLN 91 HG3 GLN 91 -21.033 2.963 -2.228
200 1HE2 GLN 91 HE21 GLN 91 -20.074 3.923 -5.512
201 2HE2 GLN 91 HE22 GLN 91 -19.913 2.314 -6.118
Start of MODEL 11
1 H TRP 57 H TRP 57 7.624 1.863 -11.458
2 HA TRP 57 HA TRP 57 9.794 2.560 -11.385
3 1HB TRP 57 HB2 TRP 57 8.915 1.592 -9.296
4 2HB TRP 57 HB3 TRP 57 9.546 0.015 -9.761
5 HD1 TRP 57 HD1 TRP 57 11.566 -0.480 -8.279
6 HE1 TRP 57 HE1 TRP 57 13.631 0.827 -7.472
7 HE3 TRP 57 HE3 TRP 57 10.471 4.090 -10.292
8 HZ2 TRP 57 HZ2 TRP 57 14.659 3.450 -7.663
9 HZ3 TRP 57 HZ3 TRP 57 12.047 5.945 -9.934
10 HH2 TRP 57 HH2 TRP 57 14.097 5.630 -8.645
11 H GLY 58 H GLY 58 12.029 2.256 -11.706
12 1HA GLY 58 HA2 GLY 58 12.691 0.542 -13.876
13 2HA GLY 58 HA3 GLY 58 13.818 1.526 -12.955
14 H GLN 59 H GLN 59 14.047 0.607 -10.576
15 HA GLN 59 HA GLN 59 13.820 -2.155 -10.135
16 1HB GLN 59 HB2 GLN 59 16.086 -2.922 -10.456
17 2HB GLN 59 HB3 GLN 59 15.491 -2.257 -11.969
18 1HG GLN 59 HG2 GLN 59 16.662 -0.103 -11.303
19 2HG GLN 59 HG3 GLN 59 17.463 -1.059 -10.057
20 1HE2 GLN 59 HE21 GLN 59 17.285 -0.299 -13.399
21 2HE2 GLN 59 HE22 GLN 59 18.627 -1.257 -13.917
22 HA PRO 60 HA PRO 60 14.830 -0.789 -6.070
23 1HB PRO 60 HB2 PRO 60 15.808 -3.060 -4.946
24 2HB PRO 60 HB3 PRO 60 14.093 -2.819 -5.289
25 1HG PRO 60 HG2 PRO 60 16.147 -4.320 -6.866
26 2HG PRO 60 HG3 PRO 60 14.474 -4.774 -6.487
27 1HD PRO 60 HD2 PRO 60 15.191 -3.746 -8.884
28 2HD PRO 60 HD3 PRO 60 13.602 -3.439 -8.155
29 H HIS 61 H HIS 61 16.469 0.480 -5.500
30 HA HIS 61 HA HIS 61 19.169 -0.139 -6.388
31 1HB HIS 61 HB2 HIS 61 17.781 2.284 -5.334
32 2HB HIS 61 HB3 HIS 61 19.529 2.179 -5.155
33 HD1 HIS 61 HD1 HIS 61 19.801 4.169 -6.817
34 HD2 HIS 61 HD2 HIS 61 18.023 0.785 -8.446
35 HE1 HIS 61 HE1 HIS 61 19.855 4.515 -9.307
36 HE2 HIS 61 HE2 HIS 61 18.851 2.416 -10.275
37 H GLY 62 H GLY 62 17.459 -1.188 -3.876
38 1HA GLY 62 HA2 GLY 62 19.673 -1.981 -2.350
39 2HA GLY 62 HA3 GLY 62 18.974 -0.558 -1.593
40 H GLY 63 H GLY 63 17.210 -3.086 -3.315
41 1HA GLY 63 HA2 GLY 63 16.449 -4.919 -1.588
42 2HA GLY 63 HA3 GLY 63 15.628 -3.529 -0.893
43 H GLY 64 H GLY 64 13.722 -2.864 -1.744
44 1HA GLY 64 HA2 GLY 64 12.871 -4.063 -4.298
45 2HA GLY 64 HA3 GLY 64 11.847 -4.210 -2.877
46 H TRP 65 H TRP 65 10.201 -3.132 -4.092
47 HA TRP 65 HA TRP 65 10.388 -0.239 -3.837
48 1HB TRP 65 HB2 TRP 65 9.144 -0.302 -6.233
49 2HB TRP 65 HB3 TRP 65 10.879 -0.071 -6.052
50 HD1 TRP 65 HD1 TRP 65 12.282 -2.595 -6.079
51 HE1 TRP 65 HE1 TRP 65 11.951 -4.498 -7.773
52 HE3 TRP 65 HE3 TRP 65 7.622 -1.359 -7.783
53 HZ2 TRP 65 HZ2 TRP 65 9.978 -5.361 -9.601
54 HZ3 TRP 65 HZ3 TRP 65 6.585 -2.776 -9.506
55 HH2 TRP 65 HH2 TRP 65 7.740 -4.735 -10.396
56 H GLY 66 H GLY 66 8.106 -2.286 -5.601
57 1HA GLY 66 HA2 GLY 66 6.002 -1.371 -3.749
58 2HA GLY 66 HA3 GLY 66 5.734 -1.837 -5.422
59 H GLN 67 H GLN 67 7.675 -4.158 -4.879
60 HA GLN 67 HA GLN 67 5.742 -6.141 -4.466
61 1HB GLN 67 HB2 GLN 67 7.583 -7.704 -4.371
62 2HB GLN 67 HB3 GLN 67 7.920 -6.497 -5.603
63 1HG GLN 67 HG2 GLN 67 9.313 -5.295 -3.893
64 2HG GLN 67 HG3 GLN 67 9.120 -6.709 -2.858
65 1HE2 GLN 67 HE21 GLN 67 11.435 -6.862 -2.950
66 2HE2 GLN 67 HE22 GLN 67 12.195 -7.618 -4.304
67 HA PRO 68 HA PRO 68 5.261 -6.405 -0.095
68 1HB PRO 68 HB2 PRO 68 4.962 -9.086 0.269
69 2HB PRO 68 HB3 PRO 68 3.705 -8.056 -0.425
70 1HG PRO 68 HG2 PRO 68 5.673 -9.836 -1.807
71 2HG PRO 68 HG3 PRO 68 3.947 -9.602 -2.143
72 1HD PRO 68 HD2 PRO 68 5.886 -8.415 -3.609
73 2HD PRO 68 HD3 PRO 68 4.313 -7.648 -3.313
74 H HIS 69 H HIS 69 6.368 -6.839 1.807
75 HA HIS 69 HA HIS 69 9.125 -7.740 1.446
76 1HB HIS 69 HB2 HIS 69 8.754 -5.553 2.522
77 2HB HIS 69 HB3 HIS 69 7.826 -6.341 3.794
78 HD1 HIS 69 HD1 HIS 69 9.692 -5.203 5.370
79 HD2 HIS 69 HD2 HIS 69 10.983 -8.305 2.925
80 HE1 HIS 69 HE1 HIS 69 11.895 -5.943 6.329
81 HE2 HIS 69 HE2 HIS 69 12.614 -7.880 4.886
82 H GLY 70 H GLY 70 6.158 -8.576 3.077
83 1HA GLY 70 HA2 GLY 70 7.291 -11.168 3.765
84 2HA GLY 70 HA3 GLY 70 6.735 -10.191 5.115
85 H GLY 71 H GLY 71 5.127 -10.046 2.030
86 1HA GLY 71 HA2 GLY 71 3.278 -12.064 2.166
87 2HA GLY 71 HA3 GLY 71 2.638 -10.818 3.225
88 H GLY 72 H GLY 72 1.830 -8.919 2.358
89 1HA GLY 72 HA2 GLY 72 1.802 -8.743 -0.588
90 2HA GLY 72 HA3 GLY 72 0.303 -8.636 0.325
91 H TRP 73 H TRP 73 0.018 -6.562 -0.685
92 HA TRP 73 HA TRP 73 1.264 -4.438 0.870
93 1HB TRP 73 HB2 TRP 73 1.328 -3.208 -1.533
94 2HB TRP 73 HB3 TRP 73 2.713 -4.046 -0.840
95 HD1 TRP 73 HD1 TRP 73 2.745 -6.828 -1.624
96 HE1 TRP 73 HE1 TRP 73 2.443 -7.735 -4.008
97 HE3 TRP 73 HE3 TRP 73 0.396 -2.804 -3.723
98 HZ2 TRP 73 HZ2 TRP 73 1.356 -6.857 -6.465
99 HZ3 TRP 73 HZ3 TRP 73 -0.240 -2.917 -6.098
100 HH2 TRP 73 HH2 TRP 73 0.232 -4.902 -7.438
101 H GLY 74 H GLY 74 -0.605 -4.334 -2.129
102 1HA GLY 74 HA2 GLY 74 -2.678 -2.830 -0.683
103 2HA GLY 74 HA3 GLY 74 -2.385 -2.749 -2.413
104 H GLN 75 H GLN 75 -2.108 -5.800 -2.334
105 HA GLN 75 HA GLN 75 -4.746 -6.382 -3.151
106 1HB GLN 75 HB2 GLN 75 -3.997 -8.662 -3.396
107 2HB GLN 75 HB3 GLN 75 -2.723 -7.585 -3.950
108 1HG GLN 75 HG2 GLN 75 -1.710 -7.846 -1.634
109 2HG GLN 75 HG3 GLN 75 -2.841 -9.180 -1.414
110 1HE2 GLN 75 HE21 GLN 75 -0.349 -9.885 -1.169
111 2HE2 GLN 75 HE22 GLN 75 0.254 -10.700 -2.568
112 HA PRO 76 HA PRO 76 -6.790 -7.423 0.612
113 1HB PRO 76 HB2 PRO 76 -8.447 -9.417 -0.193
114 2HB PRO 76 HB3 PRO 76 -8.709 -7.722 -0.614
115 1HG PRO 76 HG2 PRO 76 -7.487 -9.913 -2.245
116 2HG PRO 76 HG3 PRO 76 -8.639 -8.658 -2.740
117 1HD PRO 76 HD2 PRO 76 -5.988 -8.489 -3.263
118 2HD PRO 76 HD3 PRO 76 -6.994 -7.059 -2.963
119 H HIS 77 H HIS 77 -6.472 -8.704 2.351
120 HA HIS 77 HA HIS 77 -4.738 -11.024 2.012
121 1HB HIS 77 HB2 HIS 77 -4.574 -10.921 4.512
122 2HB HIS 77 HB3 HIS 77 -4.024 -9.463 3.694
123 HD1 HIS 77 HD1 HIS 77 -6.902 -10.768 5.749
124 HD2 HIS 77 HD2 HIS 77 -5.392 -7.159 4.346
125 HE1 HIS 77 HE1 HIS 77 -8.227 -8.983 6.924
126 HE2 HIS 77 HE2 HIS 77 -7.239 -6.808 6.123
127 H GLY 78 H GLY 78 -7.982 -10.186 2.996
128 1HA GLY 78 HA2 GLY 78 -8.539 -13.060 3.405
129 2HA GLY 78 HA3 GLY 78 -9.343 -11.789 4.316
130 H GLY 79 H GLY 79 -9.717 -10.016 2.069
131 1HA GLY 79 HA2 GLY 79 -11.298 -11.506 0.142
132 2HA GLY 79 HA3 GLY 79 -12.219 -10.489 1.240
133 H GLY 80 H GLY 80 -11.673 -8.172 1.279
134 1HA GLY 80 HA2 GLY 80 -10.525 -7.257 -1.284
135 2HA GLY 80 HA3 GLY 80 -12.053 -6.619 -0.693
136 H TRP 81 H TRP 81 -11.077 -4.522 -0.804
137 HA TRP 81 HA TRP 81 -9.672 -3.855 1.657
138 1HB TRP 81 HB2 TRP 81 -8.278 -2.245 -0.001
139 2HB TRP 81 HB3 TRP 81 -7.703 -3.825 0.518
140 HD1 TRP 81 HD1 TRP 81 -8.576 -5.898 -1.297
141 HE1 TRP 81 HE1 TRP 81 -8.395 -5.847 -3.857
142 HE3 TRP 81 HE3 TRP 81 -8.139 -0.851 -1.970
143 HZ2 TRP 81 HZ2 TRP 81 -8.095 -3.918 -5.901
144 HZ3 TRP 81 HZ3 TRP 81 -7.906 0.017 -4.260
145 HH2 TRP 81 HH2 TRP 81 -7.885 -1.486 -6.184
146 H GLY 82 H GLY 82 -10.181 -2.013 -1.318
147 1HA GLY 82 HA2 GLY 82 -11.801 -0.113 0.244
148 2HA GLY 82 HA3 GLY 82 -10.894 0.287 -1.207
149 H GLN 83 H GLN 83 -11.955 -2.354 -2.366
150 HA GLN 83 HA GLN 83 -14.036 -1.258 -3.882
151 1HB GLN 83 HB2 GLN 83 -14.370 -3.479 -4.765
152 2HB GLN 83 HB3 GLN 83 -12.645 -3.203 -4.564
153 1HG GLN 83 HG2 GLN 83 -12.916 -4.395 -2.313
154 2HG GLN 83 HG3 GLN 83 -14.470 -4.938 -2.944
155 1HE2 GLN 83 HE21 GLN 83 -13.737 -7.089 -2.850
156 2HE2 GLN 83 HE22 GLN 83 -12.652 -7.721 -4.036
157 HA PRO 84 HA PRO 84 -17.631 -1.686 -1.372
158 1HB PRO 84 HB2 PRO 84 -19.539 -2.235 -3.223
159 2HB PRO 84 HB3 PRO 84 -18.810 -0.636 -3.040
160 1HG PRO 84 HG2 PRO 84 -18.187 -2.787 -5.025
161 2HG PRO 84 HG3 PRO 84 -18.337 -1.038 -5.279
162 1HD PRO 84 HD2 PRO 84 -15.941 -2.285 -5.056
163 2HD PRO 84 HD3 PRO 84 -16.206 -0.619 -4.509
164 H HIS 85 H HIS 85 -18.660 -3.229 -0.213
165 HA HIS 85 HA HIS 85 -18.179 -6.007 -0.965
166 1HB HIS 85 HB2 HIS 85 -19.128 -4.737 1.608
167 2HB HIS 85 HB3 HIS 85 -18.992 -6.477 1.373
168 HD1 HIS 85 HD1 HIS 85 -16.220 -6.018 -0.323
169 HD2 HIS 85 HD2 HIS 85 -17.098 -4.848 3.567
170 HE1 HIS 85 HE1 HIS 85 -13.995 -5.773 0.824
171 HE2 HIS 85 HE2 HIS 85 -14.549 -4.979 3.150
172 H GLY 86 H GLY 86 -20.788 -3.725 -0.539
173 1HA GLY 86 HA2 GLY 86 -22.617 -5.666 -1.740
174 2HA GLY 86 HA3 GLY 86 -23.065 -5.000 -0.177
175 H GLY 87 H GLY 87 -21.348 -3.089 -2.535
176 1HA GLY 87 HA2 GLY 87 -23.304 -1.981 -4.073
177 2HA GLY 87 HA3 GLY 87 -23.462 -1.136 -2.540
178 H GLY 88 H GLY 88 -22.086 0.496 -2.063
179 1HA GLY 88 HA2 GLY 88 -19.791 0.899 -3.878
180 2HA GLY 88 HA3 GLY 88 -20.901 2.213 -3.515
181 H TRP 89 H TRP 89 -19.085 3.405 -2.739
182 HA TRP 89 HA TRP 89 -18.543 2.863 0.070
183 1HB TRP 89 HB2 TRP 89 -16.044 3.602 -0.640
184 2HB TRP 89 HB3 TRP 89 -16.551 1.923 -0.497
185 HD1 TRP 89 HD1 TRP 89 -17.578 0.922 -3.004
186 HE1 TRP 89 HE1 TRP 89 -16.473 1.176 -5.308
187 HE3 TRP 89 HE3 TRP 89 -14.548 4.916 -2.006
188 HZ2 TRP 89 HZ2 TRP 89 -14.559 2.847 -6.544
189 HZ3 TRP 89 HZ3 TRP 89 -13.108 5.781 -3.805
190 HH2 TRP 89 HH2 TRP 89 -13.115 4.766 -6.026
191 H GLY 90 H GLY 90 -16.960 5.017 -2.246
192 1HA GLY 90 HA2 GLY 90 -18.287 7.304 -0.945
193 2HA GLY 90 HA3 GLY 90 -16.539 7.283 -1.124
194 H GLN 91 H GLN 91 -18.312 5.832 -3.674
195 HA GLN 91 HA GLN 91 -17.287 7.553 -5.630
196 1HB GLN 91 HB2 GLN 91 -19.103 6.494 -7.089
197 2HB GLN 91 HB3 GLN 91 -17.924 5.412 -6.361
198 1HG GLN 91 HG2 GLN 91 -19.459 4.623 -4.778
199 2HG GLN 91 HG3 GLN 91 -20.578 5.951 -5.077
200 1HE2 GLN 91 HE21 GLN 91 -19.426 2.874 -6.150
201 2HE2 GLN 91 HE22 GLN 91 -20.641 2.599 -7.348
Start of MODEL 12
1 H TRP 57 H TRP 57 11.066 3.560 -14.955
2 HA TRP 57 HA TRP 57 9.906 5.010 -12.738
3 1HB TRP 57 HB2 TRP 57 9.794 2.790 -11.800
4 2HB TRP 57 HB3 TRP 57 9.245 2.713 -13.470
5 HD1 TRP 57 HD1 TRP 57 12.760 2.865 -13.985
6 HE1 TRP 57 HE1 TRP 57 13.847 0.536 -14.121
7 HE3 TRP 57 HE3 TRP 57 8.985 0.084 -11.944
8 HZ2 TRP 57 HZ2 TRP 57 13.192 -2.126 -13.453
9 HZ3 TRP 57 HZ3 TRP 57 9.296 -2.347 -11.728
10 HH2 TRP 57 HH2 TRP 57 11.356 -3.427 -12.467
11 H GLY 58 H GLY 58 11.004 4.103 -10.571
12 1HA GLY 58 HA2 GLY 58 13.717 5.203 -10.642
13 2HA GLY 58 HA3 GLY 58 12.729 4.974 -9.207
14 H GLN 59 H GLN 59 12.032 2.220 -10.008
15 HA GLN 59 HA GLN 59 12.710 0.118 -9.520
16 1HB GLN 59 HB2 GLN 59 14.505 -0.719 -10.739
17 2HB GLN 59 HB3 GLN 59 14.026 0.695 -11.662
18 1HG GLN 59 HG2 GLN 59 16.049 1.338 -9.691
19 2HG GLN 59 HG3 GLN 59 16.570 0.060 -10.783
20 1HE2 GLN 59 HE21 GLN 59 17.452 2.854 -10.512
21 2HE2 GLN 59 HE22 GLN 59 17.264 3.554 -12.079
22 HA PRO 60 HA PRO 60 14.736 0.086 -5.619
23 1HB PRO 60 HB2 PRO 60 15.569 -2.482 -5.417
24 2HB PRO 60 HB3 PRO 60 13.866 -2.022 -5.321
25 1HG PRO 60 HG2 PRO 60 15.399 -3.138 -7.633
26 2HG PRO 60 HG3 PRO 60 13.767 -3.542 -7.072
27 1HD PRO 60 HD2 PRO 60 14.248 -1.887 -9.177
28 2HD PRO 60 HD3 PRO 60 12.820 -1.737 -8.135
29 H HIS 61 H HIS 61 16.644 0.865 -4.993
30 HA HIS 61 HA HIS 61 18.982 0.462 -6.676
31 1HB HIS 61 HB2 HIS 61 18.181 2.404 -4.575
32 2HB HIS 61 HB3 HIS 61 19.903 2.089 -4.759
33 HD1 HIS 61 HD1 HIS 61 19.624 4.776 -5.447
34 HD2 HIS 61 HD2 HIS 61 18.392 1.907 -8.187
35 HE1 HIS 61 HE1 HIS 61 19.547 5.957 -7.667
36 HE2 HIS 61 HE2 HIS 61 18.717 4.222 -9.295
37 H GLY 62 H GLY 62 17.678 -1.356 -4.364
38 1HA GLY 62 HA2 GLY 62 19.810 -2.985 -3.866
39 2HA GLY 62 HA3 GLY 62 19.920 -1.756 -2.613
40 H GLY 63 H GLY 63 17.024 -3.221 -4.046
41 1HA GLY 63 HA2 GLY 63 16.383 -5.182 -2.294
42 2HA GLY 63 HA3 GLY 63 15.962 -3.725 -1.407
43 H GLY 64 H GLY 64 14.146 -2.570 -1.969
44 1HA GLY 64 HA2 GLY 64 12.670 -3.310 -4.369
45 2HA GLY 64 HA3 GLY 64 11.897 -3.698 -2.839
46 H TRP 65 H TRP 65 10.191 -2.276 -3.558
47 HA TRP 65 HA TRP 65 10.685 0.466 -2.713
48 1HB TRP 65 HB2 TRP 65 9.114 1.025 -4.837
49 2HB TRP 65 HB3 TRP 65 10.871 1.101 -4.889
50 HD1 TRP 65 HD1 TRP 65 12.009 -1.429 -5.682
51 HE1 TRP 65 HE1 TRP 65 11.262 -2.875 -7.669
52 HE3 TRP 65 HE3 TRP 65 7.292 0.439 -6.313
53 HZ2 TRP 65 HZ2 TRP 65 8.976 -3.182 -9.300
54 HZ3 TRP 65 HZ3 TRP 65 5.891 -0.484 -8.112
55 HH2 TRP 65 HH2 TRP 65 6.716 -2.256 -9.574
56 H GLY 66 H GLY 66 7.996 -0.999 -4.486
57 1HA GLY 66 HA2 GLY 66 6.270 -0.401 -2.170
58 2HA GLY 66 HA3 GLY 66 5.725 -0.447 -3.840
59 H GLN 67 H GLN 67 7.504 -2.954 -4.112
60 HA GLN 67 HA GLN 67 5.472 -4.855 -3.889
61 1HB GLN 67 HB2 GLN 67 7.171 -6.514 -4.348
62 2HB GLN 67 HB3 GLN 67 7.478 -5.088 -5.327
63 1HG GLN 67 HG2 GLN 67 9.126 -4.384 -3.540
64 2HG GLN 67 HG3 GLN 67 8.948 -6.010 -2.880
65 1HE2 GLN 67 HE21 GLN 67 10.721 -7.090 -3.370
66 2HE2 GLN 67 HE22 GLN 67 11.466 -7.164 -4.926
67 HA PRO 68 HA PRO 68 5.407 -6.064 0.347
68 1HB PRO 68 HB2 PRO 68 4.943 -8.741 0.154
69 2HB PRO 68 HB3 PRO 68 3.704 -7.518 -0.152
70 1HG PRO 68 HG2 PRO 68 5.389 -9.039 -2.104
71 2HG PRO 68 HG3 PRO 68 3.659 -8.656 -2.179
72 1HD PRO 68 HD2 PRO 68 5.506 -7.261 -3.571
73 2HD PRO 68 HD3 PRO 68 4.039 -6.502 -2.918
74 H HIS 69 H HIS 69 6.609 -7.079 1.983
75 HA HIS 69 HA HIS 69 9.256 -8.001 1.116
76 1HB HIS 69 HB2 HIS 69 9.197 -6.065 2.637
77 2HB HIS 69 HB3 HIS 69 8.336 -7.030 3.831
78 HD1 HIS 69 HD1 HIS 69 10.367 -6.501 5.448
79 HD2 HIS 69 HD2 HIS 69 11.278 -8.854 2.146
80 HE1 HIS 69 HE1 HIS 69 12.602 -7.537 5.955
81 HE2 HIS 69 HE2 HIS 69 13.174 -8.884 3.905
82 H GLY 70 H GLY 70 6.428 -8.947 2.941
83 1HA GLY 70 HA2 GLY 70 7.659 -11.606 3.335
84 2HA GLY 70 HA3 GLY 70 6.607 -10.869 4.533
85 H GLY 71 H GLY 71 4.646 -9.831 2.780
86 1HA GLY 71 HA2 GLY 71 3.648 -11.715 0.946
87 2HA GLY 71 HA3 GLY 71 2.947 -12.049 2.523
88 H GLY 72 H GLY 72 3.063 -9.850 -0.168
89 1HA GLY 72 HA2 GLY 72 1.629 -8.188 -0.840
90 2HA GLY 72 HA3 GLY 72 0.441 -8.931 0.222
91 H TRP 73 H TRP 73 -0.116 -6.551 0.347
92 HA TRP 73 HA TRP 73 1.076 -5.485 2.779
93 1HB TRP 73 HB2 TRP 73 0.882 -3.154 1.439
94 2HB TRP 73 HB3 TRP 73 2.369 -4.091 1.527
95 HD1 TRP 73 HD1 TRP 73 2.531 -5.985 -0.657
96 HE1 TRP 73 HE1 TRP 73 2.121 -5.467 -3.140
97 HE3 TRP 73 HE3 TRP 73 -0.222 -1.709 -0.146
98 HZ2 TRP 73 HZ2 TRP 73 0.809 -3.498 -4.684
99 HZ3 TRP 73 HZ3 TRP 73 -1.015 -0.567 -2.176
100 HH2 TRP 73 HH2 TRP 73 -0.508 -1.445 -4.398
101 H GLY 74 H GLY 74 -1.005 -3.963 0.358
102 1HA GLY 74 HA2 GLY 74 -3.161 -3.934 2.378
103 2HA GLY 74 HA3 GLY 74 -2.865 -2.612 1.260
104 H GLN 75 H GLN 75 -2.442 -5.700 -0.113
105 HA GLN 75 HA GLN 75 -4.786 -5.322 -1.764
106 1HB GLN 75 HB2 GLN 75 -3.928 -7.160 -3.085
107 2HB GLN 75 HB3 GLN 75 -2.622 -6.036 -2.735
108 1HG GLN 75 HG2 GLN 75 -1.931 -7.539 -0.869
109 2HG GLN 75 HG3 GLN 75 -3.135 -8.697 -1.432
110 1HE2 GLN 75 HE21 GLN 75 -2.875 -8.528 -4.134
111 2HE2 GLN 75 HE22 GLN 75 -1.306 -9.067 -4.614
112 HA PRO 76 HA PRO 76 -7.521 -8.077 0.318
113 1HB PRO 76 HB2 PRO 76 -8.798 -9.278 -1.772
114 2HB PRO 76 HB3 PRO 76 -9.126 -7.621 -1.254
115 1HG PRO 76 HG2 PRO 76 -7.407 -8.598 -3.500
116 2HG PRO 76 HG3 PRO 76 -8.546 -7.239 -3.471
117 1HD PRO 76 HD2 PRO 76 -5.884 -6.883 -3.240
118 2HD PRO 76 HD3 PRO 76 -7.051 -5.843 -2.397
119 H HIS 77 H HIS 77 -7.668 -10.171 1.037
120 HA HIS 77 HA HIS 77 -5.657 -12.020 -0.019
121 1HB HIS 77 HB2 HIS 77 -5.664 -11.436 2.420
122 2HB HIS 77 HB3 HIS 77 -7.230 -12.228 2.556
123 HD1 HIS 77 HD1 HIS 77 -3.750 -12.880 2.993
124 HD2 HIS 77 HD2 HIS 77 -6.998 -15.091 1.641
125 HE1 HIS 77 HE1 HIS 77 -3.051 -15.289 3.186
126 HE2 HIS 77 HE2 HIS 77 -4.999 -16.603 2.278
127 H GLY 78 H GLY 78 -9.097 -11.662 0.477
128 1HA GLY 78 HA2 GLY 78 -9.490 -14.230 -0.929
129 2HA GLY 78 HA3 GLY 78 -10.498 -13.763 0.431
130 H GLY 79 H GLY 79 -10.880 -11.053 -0.182
131 1HA GLY 79 HA2 GLY 79 -11.750 -10.664 -2.857
132 2HA GLY 79 HA3 GLY 79 -13.103 -11.133 -1.839
133 H GLY 80 H GLY 80 -10.830 -8.636 -2.627
134 1HA GLY 80 HA2 GLY 80 -10.822 -6.386 -2.173
135 2HA GLY 80 HA3 GLY 80 -12.517 -6.570 -1.741
136 H TRP 81 H TRP 81 -11.754 -4.817 -0.215
137 HA TRP 81 HA TRP 81 -11.181 -6.058 2.353
138 1HB TRP 81 HB2 TRP 81 -9.617 -3.883 2.664
139 2HB TRP 81 HB3 TRP 81 -8.996 -5.449 2.154
140 HD1 TRP 81 HD1 TRP 81 -9.047 -5.699 -0.729
141 HE1 TRP 81 HE1 TRP 81 -8.174 -3.966 -2.413
142 HE3 TRP 81 HE3 TRP 81 -9.133 -1.554 2.262
143 HZ2 TRP 81 HZ2 TRP 81 -7.590 -1.203 -2.467
144 HZ3 TRP 81 HZ3 TRP 81 -8.398 0.596 1.317
145 HH2 TRP 81 HH2 TRP 81 -7.642 0.767 -0.999
146 H GLY 82 H GLY 82 -11.093 -2.672 1.335
147 1HA GLY 82 HA2 GLY 82 -13.479 -2.209 3.017
148 2HA GLY 82 HA3 GLY 82 -12.149 -1.069 2.889
149 H GLN 83 H GLN 83 -12.922 -2.596 -0.052
150 HA GLN 83 HA GLN 83 -13.888 -0.107 -1.142
151 1HB GLN 83 HB2 GLN 83 -13.774 -1.217 -3.290
152 2HB GLN 83 HB3 GLN 83 -12.309 -1.561 -2.382
153 1HG GLN 83 HG2 GLN 83 -13.318 -3.744 -1.725
154 2HG GLN 83 HG3 GLN 83 -14.652 -3.394 -2.823
155 1HE2 GLN 83 HE21 GLN 83 -14.429 -3.854 -4.919
156 2HE2 GLN 83 HE22 GLN 83 -12.973 -4.411 -5.665
157 HA PRO 84 HA PRO 84 -18.223 -0.870 -0.962
158 1HB PRO 84 HB2 PRO 84 -19.074 0.180 -3.329
159 2HB PRO 84 HB3 PRO 84 -18.578 1.168 -1.950
160 1HG PRO 84 HG2 PRO 84 -17.024 0.409 -4.394
161 2HG PRO 84 HG3 PRO 84 -17.124 1.978 -3.572
162 1HD PRO 84 HD2 PRO 84 -15.029 0.312 -3.238
163 2HD PRO 84 HD3 PRO 84 -15.624 1.355 -1.930
164 H HIS 85 H HIS 85 -19.689 -2.419 -1.499
165 HA HIS 85 HA HIS 85 -18.856 -4.361 -3.523
166 1HB HIS 85 HB2 HIS 85 -20.817 -4.526 -1.231
167 2HB HIS 85 HB3 HIS 85 -20.624 -5.804 -2.426
168 HD1 HIS 85 HD1 HIS 85 -18.907 -7.519 -1.903
169 HD2 HIS 85 HD2 HIS 85 -18.295 -4.002 0.224
170 HE1 HIS 85 HE1 HIS 85 -16.999 -8.002 -0.339
171 HE2 HIS 85 HE2 HIS 85 -16.589 -5.832 0.874
172 H GLY 86 H GLY 86 -21.430 -2.134 -2.740
173 1HA GLY 86 HA2 GLY 86 -22.719 -2.835 -5.305
174 2HA GLY 86 HA3 GLY 86 -23.654 -2.448 -3.868
175 H GLY 87 H GLY 87 -22.141 -0.275 -2.921
176 1HA GLY 87 HA2 GLY 87 -21.652 1.676 -4.913
177 2HA GLY 87 HA3 GLY 87 -23.290 1.855 -4.304
178 H GLY 88 H GLY 88 -19.924 2.279 -3.648
179 1HA GLY 88 HA2 GLY 88 -18.818 3.446 -2.009
180 2HA GLY 88 HA3 GLY 88 -20.339 4.283 -1.736
181 H TRP 89 H TRP 89 -19.368 4.233 0.498
182 HA TRP 89 HA TRP 89 -20.561 2.017 1.953
183 1HB TRP 89 HB2 TRP 89 -18.291 2.175 3.395
184 2HB TRP 89 HB3 TRP 89 -18.525 1.010 2.098
185 HD1 TRP 89 HD1 TRP 89 -17.637 2.065 -0.437
186 HE1 TRP 89 HE1 TRP 89 -15.406 3.256 -0.890
187 HE3 TRP 89 HE3 TRP 89 -16.495 3.484 4.340
188 HZ2 TRP 89 HZ2 TRP 89 -13.416 4.614 0.584
189 HZ3 TRP 89 HZ3 TRP 89 -14.407 4.725 4.733
190 HH2 TRP 89 HH2 TRP 89 -12.900 5.277 2.893
191 H GLY 90 H GLY 90 -18.232 4.503 2.912
192 1HA GLY 90 HA2 GLY 90 -20.303 5.606 4.706
193 2HA GLY 90 HA3 GLY 90 -18.582 5.611 5.062
194 H GLN 91 H GLN 91 -18.105 6.336 2.139
195 HA GLN 91 HA GLN 91 -17.843 9.109 2.506
196 1HB GLN 91 HB2 GLN 91 -17.404 9.122 0.011
197 2HB GLN 91 HB3 GLN 91 -16.376 8.064 0.966
198 1HG GLN 91 HG2 GLN 91 -17.163 6.200 -0.005
199 2HG GLN 91 HG3 GLN 91 -18.812 6.815 -0.096
200 1HE2 GLN 91 HE21 GLN 91 -19.421 6.693 -2.136
201 2HE2 GLN 91 HE22 GLN 91 -18.513 7.243 -3.500
Start of MODEL 13
1 H TRP 57 H TRP 57 12.973 0.714 -16.500
2 HA TRP 57 HA TRP 57 13.563 -1.115 -15.166
3 1HB TRP 57 HB2 TRP 57 15.509 -1.546 -16.988
4 2HB TRP 57 HB3 TRP 57 16.461 -0.790 -15.714
5 HD1 TRP 57 HD1 TRP 57 13.755 -3.593 -15.787
6 HE1 TRP 57 HE1 TRP 57 14.579 -5.512 -14.283
7 HE3 TRP 57 HE3 TRP 57 18.194 -1.573 -14.249
8 HZ2 TRP 57 HZ2 TRP 57 16.813 -6.093 -12.659
9 HZ3 TRP 57 HZ3 TRP 57 19.615 -2.876 -12.721
10 HH2 TRP 57 HH2 TRP 57 18.938 -5.089 -11.942
11 H GLY 58 H GLY 58 15.572 -0.945 -13.369
12 1HA GLY 58 HA2 GLY 58 16.632 1.482 -12.643
13 2HA GLY 58 HA3 GLY 58 14.982 1.523 -12.041
14 H GLN 59 H GLN 59 14.916 -1.351 -11.524
15 HA GLN 59 HA GLN 59 15.180 -2.738 -9.755
16 1HB GLN 59 HB2 GLN 59 17.386 -3.395 -9.223
17 2HB GLN 59 HB3 GLN 59 17.428 -2.902 -10.907
18 1HG GLN 59 HG2 GLN 59 18.688 -1.037 -10.474
19 2HG GLN 59 HG3 GLN 59 18.141 -0.917 -8.802
20 1HE2 GLN 59 HE21 GLN 59 20.621 -1.869 -10.826
21 2HE2 GLN 59 HE22 GLN 59 21.550 -2.786 -9.694
22 HA PRO 60 HA PRO 60 14.648 -0.512 -6.002
23 1HB PRO 60 HB2 PRO 60 15.222 -2.394 -4.137
24 2HB PRO 60 HB3 PRO 60 13.750 -2.432 -5.113
25 1HG PRO 60 HG2 PRO 60 16.303 -3.952 -5.475
26 2HG PRO 60 HG3 PRO 60 14.630 -4.521 -5.628
27 1HD PRO 60 HD2 PRO 60 16.163 -3.885 -7.771
28 2HD PRO 60 HD3 PRO 60 14.401 -3.668 -7.755
29 H HIS 61 H HIS 61 15.749 0.640 -4.441
30 HA HIS 61 HA HIS 61 18.655 0.598 -4.674
31 1HB HIS 61 HB2 HIS 61 17.478 2.752 -4.884
32 2HB HIS 61 HB3 HIS 61 16.837 2.558 -3.255
33 HD1 HIS 61 HD1 HIS 61 18.116 4.930 -2.933
34 HD2 HIS 61 HD2 HIS 61 20.505 1.560 -3.377
35 HE1 HIS 61 HE1 HIS 61 20.388 5.600 -2.087
36 HE2 HIS 61 HE2 HIS 61 21.838 3.572 -2.447
37 H GLY 62 H GLY 62 16.120 -0.065 -2.366
38 1HA GLY 62 HA2 GLY 62 18.177 -0.701 -0.342
39 2HA GLY 62 HA3 GLY 62 16.527 -0.228 0.040
40 H GLY 63 H GLY 63 15.463 -1.939 -2.154
41 1HA GLY 63 HA2 GLY 63 16.187 -4.614 -1.867
42 2HA GLY 63 HA3 GLY 63 15.000 -4.270 -0.618
43 H GLY 64 H GLY 64 13.269 -2.573 -1.885
44 1HA GLY 64 HA2 GLY 64 12.463 -3.862 -4.385
45 2HA GLY 64 HA3 GLY 64 11.355 -3.990 -3.025
46 H TRP 65 H TRP 65 9.858 -2.882 -4.460
47 HA TRP 65 HA TRP 65 10.047 0.003 -4.111
48 1HB TRP 65 HB2 TRP 65 9.045 0.005 -6.617
49 2HB TRP 65 HB3 TRP 65 10.758 0.203 -6.263
50 HD1 TRP 65 HD1 TRP 65 12.094 -2.367 -6.176
51 HE1 TRP 65 HE1 TRP 65 11.913 -4.222 -7.942
52 HE3 TRP 65 HE3 TRP 65 7.697 -0.962 -8.369
53 HZ2 TRP 65 HZ2 TRP 65 10.140 -4.989 -10.006
54 HZ3 TRP 65 HZ3 TRP 65 6.828 -2.310 -10.235
55 HH2 TRP 65 HH2 TRP 65 8.026 -4.281 -11.035
56 H GLY 66 H GLY 66 7.913 -1.944 -6.150
57 1HA GLY 66 HA2 GLY 66 5.668 -1.104 -4.427
58 2HA GLY 66 HA3 GLY 66 5.537 -1.394 -6.155
59 H GLN 67 H GLN 67 7.518 -3.665 -4.600
60 HA GLN 67 HA GLN 67 5.366 -5.651 -4.768
61 1HB GLN 67 HB2 GLN 67 7.106 -7.321 -4.932
62 2HB GLN 67 HB3 GLN 67 7.425 -6.042 -6.096
63 1HG GLN 67 HG2 GLN 67 9.042 -5.063 -4.484
64 2HG GLN 67 HG3 GLN 67 8.792 -6.471 -3.452
65 1HE2 GLN 67 HE21 GLN 67 11.107 -6.750 -3.730
66 2HE2 GLN 67 HE22 GLN 67 11.694 -7.578 -5.127
67 HA PRO 68 HA PRO 68 5.179 -6.236 -0.406
68 1HB PRO 68 HB2 PRO 68 4.776 -8.925 -0.226
69 2HB PRO 68 HB3 PRO 68 3.523 -7.787 -0.730
70 1HG PRO 68 HG2 PRO 68 5.284 -9.532 -2.404
71 2HG PRO 68 HG3 PRO 68 3.552 -9.195 -2.578
72 1HD PRO 68 HD2 PRO 68 5.419 -7.979 -4.105
73 2HD PRO 68 HD3 PRO 68 3.923 -7.162 -3.609
74 H HIS 69 H HIS 69 6.365 -6.925 1.385
75 HA HIS 69 HA HIS 69 9.056 -7.883 0.751
76 1HB HIS 69 HB2 HIS 69 9.537 -7.156 3.134
77 2HB HIS 69 HB3 HIS 69 9.095 -5.869 2.016
78 HD1 HIS 69 HD1 HIS 69 7.804 -7.779 4.974
79 HD2 HIS 69 HD2 HIS 69 6.715 -4.548 2.598
80 HE1 HIS 69 HE1 HIS 69 5.893 -6.674 6.177
81 HE2 HIS 69 HE2 HIS 69 5.195 -4.773 4.679
82 H GLY 70 H GLY 70 6.168 -8.748 2.505
83 1HA GLY 70 HA2 GLY 70 7.219 -11.437 2.872
84 2HA GLY 70 HA3 GLY 70 6.807 -10.568 4.344
85 H GLY 71 H GLY 71 4.995 -10.065 1.412
86 1HA GLY 71 HA2 GLY 71 3.064 -12.007 1.496
87 2HA GLY 71 HA3 GLY 71 2.563 -10.846 2.716
88 H GLY 72 H GLY 72 1.823 -8.816 2.094
89 1HA GLY 72 HA2 GLY 72 1.567 -8.370 -0.811
90 2HA GLY 72 HA3 GLY 72 0.157 -8.263 0.233
91 H TRP 73 H TRP 73 -0.075 -6.093 -0.569
92 HA TRP 73 HA TRP 73 1.423 -4.195 1.054
93 1HB TRP 73 HB2 TRP 73 1.364 -2.754 -1.229
94 2HB TRP 73 HB3 TRP 73 2.748 -3.722 -0.733
95 HD1 TRP 73 HD1 TRP 73 2.546 -6.421 -1.753
96 HE1 TRP 73 HE1 TRP 73 2.000 -7.090 -4.171
97 HE3 TRP 73 HE3 TRP 73 0.289 -2.101 -3.291
98 HZ2 TRP 73 HZ2 TRP 73 0.778 -5.934 -6.442
99 HZ3 TRP 73 HZ3 TRP 73 -0.539 -1.964 -5.603
100 HH2 TRP 73 HH2 TRP 73 -0.298 -3.841 -7.146
101 H GLY 74 H GLY 74 -0.673 -3.701 -1.751
102 1HA GLY 74 HA2 GLY 74 -2.604 -2.385 0.054
103 2HA GLY 74 HA3 GLY 74 -2.310 -1.886 -1.605
104 H GLN 75 H GLN 75 -2.305 -5.250 -1.298
105 HA GLN 75 HA GLN 75 -4.924 -5.383 -2.576
106 1HB GLN 75 HB2 GLN 75 -4.312 -7.639 -3.214
107 2HB GLN 75 HB3 GLN 75 -3.001 -6.539 -3.618
108 1HG GLN 75 HG2 GLN 75 -1.928 -7.227 -1.434
109 2HG GLN 75 HG3 GLN 75 -3.136 -8.511 -1.360
110 1HE2 GLN 75 HE21 GLN 75 -1.220 -9.889 -1.371
111 2HE2 GLN 75 HE22 GLN 75 -0.520 -10.329 -2.888
112 HA PRO 76 HA PRO 76 -7.109 -6.925 0.919
113 1HB PRO 76 HB2 PRO 76 -8.702 -8.831 -0.243
114 2HB PRO 76 HB3 PRO 76 -9.020 -7.097 -0.318
115 1HG PRO 76 HG2 PRO 76 -7.761 -8.883 -2.354
116 2HG PRO 76 HG3 PRO 76 -8.915 -7.557 -2.583
117 1HD PRO 76 HD2 PRO 76 -6.278 -7.268 -3.069
118 2HD PRO 76 HD3 PRO 76 -7.276 -5.938 -2.446
119 H HIS 77 H HIS 77 -7.186 -8.626 2.391
120 HA HIS 77 HA HIS 77 -5.349 -10.846 1.796
121 1HB HIS 77 HB2 HIS 77 -4.831 -9.235 3.704
122 2HB HIS 77 HB3 HIS 77 -6.211 -9.937 4.542
123 HD1 HIS 77 HD1 HIS 77 -4.459 -10.724 6.367
124 HD2 HIS 77 HD2 HIS 77 -4.059 -12.491 2.628
125 HE1 HIS 77 HE1 HIS 77 -2.990 -12.733 6.727
126 HE2 HIS 77 HE2 HIS 77 -2.833 -13.835 4.468
127 H GLY 78 H GLY 78 -8.571 -10.023 2.832
128 1HA GLY 78 HA2 GLY 78 -9.408 -12.766 2.408
129 2HA GLY 78 HA3 GLY 78 -9.585 -12.191 4.059
130 H GLY 79 H GLY 79 -9.968 -9.987 1.396
131 1HA GLY 79 HA2 GLY 79 -12.312 -9.921 0.364
132 2HA GLY 79 HA3 GLY 79 -12.841 -9.838 2.038
133 H GLY 80 H GLY 80 -11.263 -8.131 -0.573
134 1HA GLY 80 HA2 GLY 80 -10.885 -5.896 -0.932
135 2HA GLY 80 HA3 GLY 80 -12.241 -5.625 0.155
136 H TRP 81 H TRP 81 -10.666 -3.689 0.418
137 HA TRP 81 HA TRP 81 -9.165 -4.182 2.875
138 1HB TRP 81 HB2 TRP 81 -7.502 -2.380 1.746
139 2HB TRP 81 HB3 TRP 81 -7.251 -4.119 1.645
140 HD1 TRP 81 HD1 TRP 81 -8.654 -5.196 -0.680
141 HE1 TRP 81 HE1 TRP 81 -8.474 -4.293 -3.077
142 HE3 TRP 81 HE3 TRP 81 -6.985 -0.478 0.360
143 HZ2 TRP 81 HZ2 TRP 81 -7.713 -1.895 -4.365
144 HZ3 TRP 81 HZ3 TRP 81 -6.553 1.058 -1.513
145 HH2 TRP 81 HH2 TRP 81 -6.909 0.362 -3.826
146 H GLY 82 H GLY 82 -9.312 -1.345 0.769
147 1HA GLY 82 HA2 GLY 82 -10.725 0.071 2.945
148 2HA GLY 82 HA3 GLY 82 -9.497 0.825 1.941
149 H GLN 83 H GLN 83 -11.660 -1.330 0.362
150 HA GLN 83 HA GLN 83 -12.771 0.874 -1.152
151 1HB GLN 83 HB2 GLN 83 -13.687 -0.826 -2.610
152 2HB GLN 83 HB3 GLN 83 -12.005 -1.203 -2.266
153 1HG GLN 83 HG2 GLN 83 -12.762 -2.820 -0.556
154 2HG GLN 83 HG3 GLN 83 -14.428 -2.491 -1.032
155 1HE2 GLN 83 HE21 GLN 83 -13.657 -5.021 -1.162
156 2HE2 GLN 83 HE22 GLN 83 -13.404 -5.527 -2.794
157 HA PRO 84 HA PRO 84 -16.638 1.209 0.928
158 1HB PRO 84 HB2 PRO 84 -18.352 1.641 -1.151
159 2HB PRO 84 HB3 PRO 84 -17.244 2.869 -0.531
160 1HG PRO 84 HG2 PRO 84 -16.952 1.081 -2.913
161 2HG PRO 84 HG3 PRO 84 -16.569 2.806 -2.753
162 1HD PRO 84 HD2 PRO 84 -14.664 0.898 -2.647
163 2HD PRO 84 HD3 PRO 84 -14.559 2.392 -1.692
164 H HIS 85 H HIS 85 -18.668 0.174 1.296
165 HA HIS 85 HA HIS 85 -18.793 -2.537 0.158
166 1HB HIS 85 HB2 HIS 85 -19.995 -1.535 2.747
167 2HB HIS 85 HB3 HIS 85 -19.962 -3.203 2.184
168 HD1 HIS 85 HD1 HIS 85 -18.390 -1.282 4.597
169 HD2 HIS 85 HD2 HIS 85 -16.934 -3.809 1.638
170 HE1 HIS 85 HE1 HIS 85 -16.083 -1.938 5.349
171 HE2 HIS 85 HE2 HIS 85 -15.255 -3.536 3.586
172 H GLY 86 H GLY 86 -20.595 0.400 0.732
173 1HA GLY 86 HA2 GLY 86 -22.771 -0.704 -0.925
174 2HA GLY 86 HA3 GLY 86 -23.136 0.176 0.552
175 H GLY 87 H GLY 87 -20.480 1.116 -1.502
176 1HA GLY 87 HA2 GLY 87 -20.590 2.729 -3.281
177 2HA GLY 87 HA3 GLY 87 -22.101 3.314 -2.603
178 H GLY 88 H GLY 88 -18.637 3.459 -2.455
179 1HA GLY 88 HA2 GLY 88 -17.210 4.964 -1.470
180 2HA GLY 88 HA3 GLY 88 -18.581 6.063 -1.433
181 H TRP 89 H TRP 89 -17.343 6.695 0.573
182 HA TRP 89 HA TRP 89 -18.592 5.383 2.850
183 1HB TRP 89 HB2 TRP 89 -16.156 5.739 3.952
184 2HB TRP 89 HB3 TRP 89 -16.675 4.219 3.231
185 HD1 TRP 89 HD1 TRP 89 -16.003 4.105 0.426
186 HE1 TRP 89 HE1 TRP 89 -13.730 4.691 -0.616
187 HE3 TRP 89 HE3 TRP 89 -14.121 7.018 4.181
188 HZ2 TRP 89 HZ2 TRP 89 -11.432 6.186 0.066
189 HZ3 TRP 89 HZ3 TRP 89 -11.877 7.986 3.909
190 HH2 TRP 89 HH2 TRP 89 -10.560 7.578 1.893
191 H GLY 90 H GLY 90 -15.901 7.670 2.647
192 1HA GLY 90 HA2 GLY 90 -17.697 9.787 3.630
193 2HA GLY 90 HA3 GLY 90 -16.185 9.456 4.463
194 H GLN 91 H GLN 91 -16.134 9.071 1.054
195 HA GLN 91 HA GLN 91 -14.112 10.972 0.674
196 1HB GLN 91 HB2 GLN 91 -14.732 10.700 -1.794
197 2HB GLN 91 HB3 GLN 91 -14.237 9.253 -0.925
198 1HG GLN 91 HG2 GLN 91 -16.427 8.431 -0.820
199 2HG GLN 91 HG3 GLN 91 -17.124 9.995 -1.242
200 1HE2 GLN 91 HE21 GLN 91 -14.434 8.278 -2.747
201 2HE2 GLN 91 HE22 GLN 91 -15.173 8.114 -4.300
Start of MODEL 14
1 H TRP 57 H TRP 57 9.452 9.187 -10.772
2 HA TRP 57 HA TRP 57 10.109 7.068 -11.321
3 1HB TRP 57 HB2 TRP 57 11.479 7.745 -13.257
4 2HB TRP 57 HB3 TRP 57 12.741 8.307 -12.165
5 HD1 TRP 57 HD1 TRP 57 14.676 6.646 -12.300
6 HE1 TRP 57 HE1 TRP 57 14.916 4.084 -12.297
7 HE3 TRP 57 HE3 TRP 57 9.726 5.366 -12.289
8 HZ2 TRP 57 HZ2 TRP 57 13.230 1.819 -12.291
9 HZ3 TRP 57 HZ3 TRP 57 9.125 2.981 -12.285
10 HH2 TRP 57 HH2 TRP 57 10.842 1.245 -12.286
11 H GLY 58 H GLY 58 11.134 5.638 -9.876
12 1HA GLY 58 HA2 GLY 58 12.999 6.667 -7.915
13 2HA GLY 58 HA3 GLY 58 11.400 6.311 -7.280
14 H GLN 59 H GLN 59 13.781 4.747 -9.428
15 HA GLN 59 HA GLN 59 12.997 2.122 -8.891
16 1HB GLN 59 HB2 GLN 59 15.102 1.444 -9.868
17 2HB GLN 59 HB3 GLN 59 14.458 2.804 -10.775
18 1HG GLN 59 HG2 GLN 59 16.405 3.309 -8.578
19 2HG GLN 59 HG3 GLN 59 16.982 2.702 -10.130
20 1HE2 GLN 59 HE21 GLN 59 17.475 4.163 -11.597
21 2HE2 GLN 59 HE22 GLN 59 16.918 5.797 -11.634
22 HA PRO 60 HA PRO 60 14.530 1.192 -4.868
23 1HB PRO 60 HB2 PRO 60 15.393 -1.376 -5.180
24 2HB PRO 60 HB3 PRO 60 13.688 -0.930 -5.076
25 1HG PRO 60 HG2 PRO 60 15.353 -1.503 -7.496
26 2HG PRO 60 HG3 PRO 60 13.696 -2.019 -7.131
27 1HD PRO 60 HD2 PRO 60 14.221 0.041 -8.787
28 2HD PRO 60 HD3 PRO 60 12.793 0.021 -7.733
29 H HIS 61 H HIS 61 16.348 1.814 -3.897
30 HA HIS 61 HA HIS 61 18.871 1.650 -5.359
31 1HB HIS 61 HB2 HIS 61 17.876 3.741 -4.085
32 2HB HIS 61 HB3 HIS 61 18.636 2.977 -2.693
33 HD1 HIS 61 HD1 HIS 61 20.231 5.089 -2.631
34 HD2 HIS 61 HD2 HIS 61 20.632 2.651 -5.970
35 HE1 HIS 61 HE1 HIS 61 22.415 5.751 -3.687
36 HE2 HIS 61 HE2 HIS 61 22.677 4.202 -5.658
37 H GLY 62 H GLY 62 17.299 -0.424 -3.479
38 1HA GLY 62 HA2 GLY 62 19.758 -1.659 -2.553
39 2HA GLY 62 HA3 GLY 62 18.631 -1.192 -1.289
40 H GLY 63 H GLY 63 16.209 -1.792 -2.523
41 1HA GLY 63 HA2 GLY 63 16.364 -4.583 -3.360
42 2HA GLY 63 HA3 GLY 63 15.549 -4.265 -1.836
43 H GLY 64 H GLY 64 13.793 -2.545 -1.975
44 1HA GLY 64 HA2 GLY 64 12.484 -2.453 -4.593
45 2HA GLY 64 HA3 GLY 64 11.617 -3.246 -3.286
46 H TRP 65 H TRP 65 9.960 -1.660 -3.579
47 HA TRP 65 HA TRP 65 10.460 0.732 -1.999
48 1HB TRP 65 HB2 TRP 65 8.941 1.880 -3.915
49 2HB TRP 65 HB3 TRP 65 10.700 1.944 -3.910
50 HD1 TRP 65 HD1 TRP 65 11.829 -0.296 -5.345
51 HE1 TRP 65 HE1 TRP 65 11.118 -1.120 -7.671
52 HE3 TRP 65 HE3 TRP 65 7.157 1.770 -5.539
53 HZ2 TRP 65 HZ2 TRP 65 8.874 -0.916 -9.374
54 HZ3 TRP 65 HZ3 TRP 65 5.793 1.409 -7.555
55 HH2 TRP 65 HH2 TRP 65 6.635 0.095 -9.432
56 H GLY 66 H GLY 66 7.789 -0.113 -4.157
57 1HA GLY 66 HA2 GLY 66 6.054 -0.289 -1.774
58 2HA GLY 66 HA3 GLY 66 5.524 0.342 -3.325
59 H GLN 67 H GLN 67 7.560 -2.332 -3.688
60 HA GLN 67 HA GLN 67 5.353 -3.955 -4.596
61 1HB GLN 67 HB2 GLN 67 7.034 -5.463 -5.437
62 2HB GLN 67 HB3 GLN 67 7.511 -3.816 -5.830
63 1HG GLN 67 HG2 GLN 67 8.997 -3.860 -3.819
64 2HG GLN 67 HG3 GLN 67 8.622 -5.574 -3.659
65 1HE2 GLN 67 HE21 GLN 67 9.653 -7.020 -4.921
66 2HE2 GLN 67 HE22 GLN 67 10.841 -6.609 -6.106
67 HA PRO 68 HA PRO 68 4.977 -6.482 -0.998
68 1HB PRO 68 HB2 PRO 68 4.111 -8.809 -2.036
69 2HB PRO 68 HB3 PRO 68 3.116 -7.352 -2.041
70 1HG PRO 68 HG2 PRO 68 4.701 -8.568 -4.254
71 2HG PRO 68 HG3 PRO 68 3.100 -7.806 -4.302
72 1HD PRO 68 HD2 PRO 68 5.440 -6.564 -5.057
73 2HD PRO 68 HD3 PRO 68 3.979 -5.711 -4.526
74 H HIS 69 H HIS 69 6.057 -7.984 0.246
75 HA HIS 69 HA HIS 69 8.381 -9.273 -1.027
76 1HB HIS 69 HB2 HIS 69 9.349 -9.217 1.334
77 2HB HIS 69 HB3 HIS 69 9.220 -7.674 0.497
78 HD1 HIS 69 HD1 HIS 69 7.470 -5.981 1.392
79 HD2 HIS 69 HD2 HIS 69 7.733 -9.496 3.594
80 HE1 HIS 69 HE1 HIS 69 6.231 -5.528 3.533
81 HE2 HIS 69 HE2 HIS 69 6.478 -7.638 4.885
82 H GLY 70 H GLY 70 7.937 -11.356 -1.350
83 1HA GLY 70 HA2 GLY 70 7.316 -13.528 -0.950
84 2HA GLY 70 HA3 GLY 70 7.648 -13.182 0.740
85 H GLY 71 H GLY 71 5.217 -11.431 -1.059
86 1HA GLY 71 HA2 GLY 71 2.948 -12.892 -0.780
87 2HA GLY 71 HA3 GLY 71 3.203 -12.255 0.837
88 H GLY 72 H GLY 72 2.392 -10.308 1.291
89 1HA GLY 72 HA2 GLY 72 2.055 -8.332 -0.828
90 2HA GLY 72 HA3 GLY 72 0.581 -8.919 -0.075
91 H TRP 73 H TRP 73 0.718 -6.403 0.195
92 HA TRP 73 HA TRP 73 1.842 -5.887 2.869
93 1HB TRP 73 HB2 TRP 73 1.601 -3.384 1.765
94 2HB TRP 73 HB3 TRP 73 3.094 -4.313 1.844
95 HD1 TRP 73 HD1 TRP 73 3.091 -6.197 -0.462
96 HE1 TRP 73 HE1 TRP 73 2.869 -5.468 -2.910
97 HE3 TRP 73 HE3 TRP 73 0.916 -1.628 0.255
98 HZ2 TRP 73 HZ2 TRP 73 1.911 -3.235 -4.360
99 HZ3 TRP 73 HZ3 TRP 73 0.381 -0.256 -1.715
100 HH2 TRP 73 HH2 TRP 73 0.870 -1.044 -3.975
101 H GLY 74 H GLY 74 -0.297 -3.986 0.794
102 1HA GLY 74 HA2 GLY 74 -2.283 -4.014 2.976
103 2HA GLY 74 HA3 GLY 74 -2.080 -2.700 1.827
104 H GLN 75 H GLN 75 -1.745 -4.905 -0.299
105 HA GLN 75 HA GLN 75 -4.340 -4.795 -1.332
106 1HB GLN 75 HB2 GLN 75 -3.588 -6.402 -2.985
107 2HB GLN 75 HB3 GLN 75 -2.316 -5.226 -2.684
108 1HG GLN 75 HG2 GLN 75 -1.307 -6.906 -1.098
109 2HG GLN 75 HG3 GLN 75 -2.464 -8.072 -1.740
110 1HE2 GLN 75 HE21 GLN 75 -1.084 -9.417 -2.761
111 2HE2 GLN 75 HE22 GLN 75 -0.080 -8.956 -4.089
112 HA PRO 76 HA PRO 76 -6.626 -7.945 0.725
113 1HB PRO 76 HB2 PRO 76 -8.053 -9.025 -1.351
114 2HB PRO 76 HB3 PRO 76 -8.453 -7.491 -0.573
115 1HG PRO 76 HG2 PRO 76 -6.972 -7.995 -3.122
116 2HG PRO 76 HG3 PRO 76 -8.193 -6.761 -2.759
117 1HD PRO 76 HD2 PRO 76 -5.562 -6.190 -2.813
118 2HD PRO 76 HD3 PRO 76 -6.673 -5.393 -1.681
119 H HIS 77 H HIS 77 -6.731 -10.178 1.092
120 HA HIS 77 HA HIS 77 -4.710 -11.735 -0.372
121 1HB HIS 77 HB2 HIS 77 -4.790 -13.223 1.687
122 2HB HIS 77 HB3 HIS 77 -4.113 -11.615 1.924
123 HD1 HIS 77 HD1 HIS 77 -7.433 -13.404 2.410
124 HD2 HIS 77 HD2 HIS 77 -5.225 -10.259 3.990
125 HE1 HIS 77 HE1 HIS 77 -8.734 -12.605 4.407
126 HE2 HIS 77 HE2 HIS 77 -7.423 -10.647 5.296
127 H GLY 78 H GLY 78 -8.047 -11.656 0.652
128 1HA GLY 78 HA2 GLY 78 -8.491 -14.278 -0.621
129 2HA GLY 78 HA3 GLY 78 -9.553 -13.549 0.574
130 H GLY 79 H GLY 79 -10.334 -11.249 -0.197
131 1HA GLY 79 HA2 GLY 79 -10.723 -10.970 -3.031
132 2HA GLY 79 HA3 GLY 79 -12.161 -11.549 -2.204
133 H GLY 80 H GLY 80 -9.894 -9.365 -0.682
134 1HA GLY 80 HA2 GLY 80 -10.363 -6.879 -1.142
135 2HA GLY 80 HA3 GLY 80 -12.006 -7.311 -0.690
136 H TRP 81 H TRP 81 -11.643 -5.595 0.921
137 HA TRP 81 HA TRP 81 -10.681 -6.770 3.406
138 1HB TRP 81 HB2 TRP 81 -9.708 -4.283 3.784
139 2HB TRP 81 HB3 TRP 81 -8.732 -5.617 3.180
140 HD1 TRP 81 HD1 TRP 81 -8.846 -5.754 0.289
141 HE1 TRP 81 HE1 TRP 81 -8.503 -3.791 -1.331
142 HE3 TRP 81 HE3 TRP 81 -9.827 -1.890 3.488
143 HZ2 TRP 81 HZ2 TRP 81 -8.624 -0.969 -1.263
144 HZ3 TRP 81 HZ3 TRP 81 -9.690 0.412 2.631
145 HH2 TRP 81 HH2 TRP 81 -9.101 0.862 0.304
146 H GLY 82 H GLY 82 -11.490 -3.430 2.574
147 1HA GLY 82 HA2 GLY 82 -13.833 -3.661 4.358
148 2HA GLY 82 HA3 GLY 82 -12.852 -2.210 4.225
149 H GLN 83 H GLN 83 -13.352 -3.788 1.252
150 HA GLN 83 HA GLN 83 -15.057 -1.619 0.363
151 1HB GLN 83 HB2 GLN 83 -14.658 -2.460 -1.871
152 2HB GLN 83 HB3 GLN 83 -13.133 -2.379 -1.000
153 1HG GLN 83 HG2 GLN 83 -13.410 -4.828 -0.508
154 2HG GLN 83 HG3 GLN 83 -14.762 -4.821 -1.639
155 1HE2 GLN 83 HE21 GLN 83 -13.040 -6.506 -2.412
156 2HE2 GLN 83 HE22 GLN 83 -11.978 -5.927 -3.646
157 HA PRO 84 HA PRO 84 -18.905 -3.760 0.500
158 1HB PRO 84 HB2 PRO 84 -20.123 -2.859 -1.766
159 2HB PRO 84 HB3 PRO 84 -19.935 -1.879 -0.308
160 1HG PRO 84 HG2 PRO 84 -18.296 -1.884 -2.812
161 2HG PRO 84 HG3 PRO 84 -18.872 -0.507 -1.853
162 1HD PRO 84 HD2 PRO 84 -16.340 -1.424 -1.677
163 2HD PRO 84 HD3 PRO 84 -17.197 -0.742 -0.280
164 H HIS 85 H HIS 85 -20.055 -5.508 -0.367
165 HA HIS 85 HA HIS 85 -18.629 -6.956 -2.494
166 1HB HIS 85 HB2 HIS 85 -19.127 -7.837 0.000
167 2HB HIS 85 HB3 HIS 85 -20.601 -8.380 -0.795
168 HD1 HIS 85 HD1 HIS 85 -20.351 -10.203 -2.633
169 HD2 HIS 85 HD2 HIS 85 -16.811 -9.218 -0.694
170 HE1 HIS 85 HE1 HIS 85 -18.720 -12.016 -3.248
171 HE2 HIS 85 HE2 HIS 85 -16.612 -11.445 -1.993
172 H GLY 86 H GLY 86 -21.741 -5.749 -1.463
173 1HA GLY 86 HA2 GLY 86 -22.829 -6.527 -4.095
174 2HA GLY 86 HA3 GLY 86 -23.780 -6.701 -2.627
175 H GLY 87 H GLY 87 -21.650 -3.980 -3.094
176 1HA GLY 87 HA2 GLY 87 -22.242 -1.848 -3.998
177 2HA GLY 87 HA3 GLY 87 -23.936 -2.281 -3.820
178 H GLY 88 H GLY 88 -21.145 -0.931 -2.293
179 1HA GLY 88 HA2 GLY 88 -20.889 0.269 -0.353
180 2HA GLY 88 HA3 GLY 88 -22.623 0.547 -0.431
181 H TRP 89 H TRP 89 -22.220 0.478 1.970
182 HA TRP 89 HA TRP 89 -22.881 -2.191 2.922
183 1HB TRP 89 HB2 TRP 89 -21.203 -1.516 4.923
184 2HB TRP 89 HB3 TRP 89 -20.715 -2.502 3.549
185 HD1 TRP 89 HD1 TRP 89 -19.699 -0.867 1.396
186 HE1 TRP 89 HE1 TRP 89 -17.974 1.025 1.611
187 HE3 TRP 89 HE3 TRP 89 -20.227 0.143 6.379
188 HZ2 TRP 89 HZ2 TRP 89 -16.960 2.721 3.631
189 HZ3 TRP 89 HZ3 TRP 89 -18.840 1.914 7.375
190 HH2 TRP 89 HH2 TRP 89 -17.241 3.176 6.028
191 H GLY 90 H GLY 90 -21.842 0.724 4.637
192 1HA GLY 90 HA2 GLY 90 -24.611 1.095 5.568
193 2HA GLY 90 HA3 GLY 90 -23.293 1.027 6.727
194 H GLN 91 H GLN 91 -22.578 2.512 3.716
195 HA GLN 91 HA GLN 91 -21.866 4.962 4.876
196 1HB GLN 91 HB2 GLN 91 -21.884 5.776 2.453
197 2HB GLN 91 HB3 GLN 91 -20.820 4.429 2.837
198 1HG GLN 91 HG2 GLN 91 -22.220 2.877 1.782
199 2HG GLN 91 HG3 GLN 91 -23.575 4.004 1.736
200 1HE2 GLN 91 HE21 GLN 91 -20.223 3.744 0.600
201 2HE2 GLN 91 HE22 GLN 91 -20.516 4.435 -0.957
Start of MODEL 15
1 H TRP 57 H TRP 57 14.159 9.369 -11.321
2 HA TRP 57 HA TRP 57 14.262 7.091 -11.229
3 1HB TRP 57 HB2 TRP 57 14.638 8.577 -9.089
4 2HB TRP 57 HB3 TRP 57 13.232 7.707 -8.482
5 HD1 TRP 57 HD1 TRP 57 16.043 6.127 -10.603
6 HE1 TRP 57 HE1 TRP 57 17.159 4.275 -9.207
7 HE3 TRP 57 HE3 TRP 57 13.582 6.853 -6.181
8 HZ2 TRP 57 HZ2 TRP 57 17.014 3.257 -6.578
9 HZ3 TRP 57 HZ3 TRP 57 14.129 5.396 -4.275
10 HH2 TRP 57 HH2 TRP 57 15.810 3.635 -4.470
11 H GLY 58 H GLY 58 13.349 5.023 -10.671
12 1HA GLY 58 HA2 GLY 58 10.692 4.668 -9.800
13 2HA GLY 58 HA3 GLY 58 10.719 4.662 -11.557
14 H GLN 59 H GLN 59 12.982 3.358 -9.139
15 HA GLN 59 HA GLN 59 12.262 0.656 -9.545
16 1HB GLN 59 HB2 GLN 59 14.138 -0.136 -10.844
17 2HB GLN 59 HB3 GLN 59 13.292 1.105 -11.758
18 1HG GLN 59 HG2 GLN 59 15.023 2.730 -10.868
19 2HG GLN 59 HG3 GLN 59 15.924 1.312 -10.332
20 1HE2 GLN 59 HE21 GLN 59 14.107 2.176 -13.260
21 2HE2 GLN 59 HE22 GLN 59 15.372 1.777 -14.367
22 HA PRO 60 HA PRO 60 14.633 0.273 -5.851
23 1HB PRO 60 HB2 PRO 60 15.397 -2.334 -5.946
24 2HB PRO 60 HB3 PRO 60 13.744 -1.825 -5.580
25 1HG PRO 60 HG2 PRO 60 14.900 -2.802 -8.162
26 2HG PRO 60 HG3 PRO 60 13.344 -3.200 -7.410
27 1HD PRO 60 HD2 PRO 60 13.569 -1.412 -9.430
28 2HD PRO 60 HD3 PRO 60 12.346 -1.259 -8.154
29 H HIS 61 H HIS 61 16.730 0.294 -5.063
30 HA HIS 61 HA HIS 61 18.813 0.432 -7.108
31 1HB HIS 61 HB2 HIS 61 18.560 2.343 -5.572
32 2HB HIS 61 HB3 HIS 61 18.875 1.280 -4.204
33 HD1 HIS 61 HD1 HIS 61 20.906 2.935 -3.708
34 HD2 HIS 61 HD2 HIS 61 21.227 0.666 -7.174
35 HE1 HIS 61 HE1 HIS 61 23.328 3.065 -4.374
36 HE2 HIS 61 HE2 HIS 61 23.480 1.755 -6.522
37 H GLY 62 H GLY 62 17.863 -1.403 -4.294
38 1HA GLY 62 HA2 GLY 62 19.577 -3.567 -4.998
39 2HA GLY 62 HA3 GLY 62 20.214 -2.689 -3.614
40 H GLY 63 H GLY 63 16.801 -3.185 -4.351
41 1HA GLY 63 HA2 GLY 63 16.388 -5.432 -2.706
42 2HA GLY 63 HA3 GLY 63 16.141 -3.981 -1.746
43 H GLY 64 H GLY 64 14.501 -2.459 -2.458
44 1HA GLY 64 HA2 GLY 64 12.666 -3.134 -4.534
45 2HA GLY 64 HA3 GLY 64 12.042 -3.611 -2.961
46 H TRP 65 H TRP 65 10.321 -2.102 -3.362
47 HA TRP 65 HA TRP 65 11.002 0.568 -2.421
48 1HB TRP 65 HB2 TRP 65 9.187 1.292 -4.285
49 2HB TRP 65 HB3 TRP 65 10.924 1.335 -4.562
50 HD1 TRP 65 HD1 TRP 65 11.870 -1.183 -5.628
51 HE1 TRP 65 HE1 TRP 65 10.835 -2.480 -7.588
52 HE3 TRP 65 HE3 TRP 65 7.185 0.863 -5.565
53 HZ2 TRP 65 HZ2 TRP 65 8.357 -2.616 -8.940
54 HZ3 TRP 65 HZ3 TRP 65 5.542 0.095 -7.228
55 HH2 TRP 65 HH2 TRP 65 6.117 -1.608 -8.880
56 H GLY 66 H GLY 66 8.057 -0.697 -3.915
57 1HA GLY 66 HA2 GLY 66 6.715 -0.381 -1.301
58 2HA GLY 66 HA3 GLY 66 5.944 -0.007 -2.834
59 H GLN 67 H GLN 67 7.922 -2.765 -2.977
60 HA GLN 67 HA GLN 67 5.633 -4.463 -3.354
61 1HB GLN 67 HB2 GLN 67 7.235 -6.173 -3.965
62 2HB GLN 67 HB3 GLN 67 7.677 -4.659 -4.741
63 1HG GLN 67 HG2 GLN 67 9.350 -4.284 -2.959
64 2HG GLN 67 HG3 GLN 67 8.950 -5.870 -2.298
65 1HE2 GLN 67 HE21 GLN 67 9.723 -4.455 -5.465
66 2HE2 GLN 67 HE22 GLN 67 10.843 -5.686 -5.929
67 HA PRO 68 HA PRO 68 5.276 -6.215 0.673
68 1HB PRO 68 HB2 PRO 68 4.710 -8.822 0.099
69 2HB PRO 68 HB3 PRO 68 3.540 -7.509 -0.077
70 1HG PRO 68 HG2 PRO 68 5.238 -8.827 -2.160
71 2HG PRO 68 HG3 PRO 68 3.531 -8.351 -2.245
72 1HD PRO 68 HD2 PRO 68 5.485 -6.871 -3.365
73 2HD PRO 68 HD3 PRO 68 4.039 -6.133 -2.647
74 H HIS 69 H HIS 69 6.422 -7.343 2.223
75 HA HIS 69 HA HIS 69 9.027 -8.355 1.350
76 1HB HIS 69 HB2 HIS 69 8.779 -6.542 3.130
77 2HB HIS 69 HB3 HIS 69 8.177 -7.811 4.190
78 HD1 HIS 69 HD1 HIS 69 10.542 -6.680 5.343
79 HD2 HIS 69 HD2 HIS 69 10.869 -9.500 2.309
80 HE1 HIS 69 HE1 HIS 69 12.865 -7.622 5.548
81 HE2 HIS 69 HE2 HIS 69 13.009 -9.389 3.757
82 H GLY 70 H GLY 70 6.133 -9.698 1.749
83 1HA GLY 70 HA2 GLY 70 7.004 -12.321 1.932
84 2HA GLY 70 HA3 GLY 70 6.612 -11.823 3.571
85 H GLY 71 H GLY 71 4.995 -10.844 0.579
86 1HA GLY 71 HA2 GLY 71 2.954 -12.472 0.187
87 2HA GLY 71 HA3 GLY 71 2.469 -11.770 1.723
88 H GLY 72 H GLY 72 1.630 -9.722 1.786
89 1HA GLY 72 HA2 GLY 72 1.579 -8.200 -0.732
90 2HA GLY 72 HA3 GLY 72 0.061 -8.597 0.061
91 H TRP 73 H TRP 73 -0.342 -6.326 0.190
92 HA TRP 73 HA TRP 73 0.785 -5.158 2.604
93 1HB TRP 73 HB2 TRP 73 0.807 -2.921 1.093
94 2HB TRP 73 HB3 TRP 73 2.228 -3.930 1.343
95 HD1 TRP 73 HD1 TRP 73 2.426 -5.979 -0.684
96 HE1 TRP 73 HE1 TRP 73 2.188 -5.637 -3.217
97 HE3 TRP 73 HE3 TRP 73 -0.142 -1.559 -0.662
98 HZ2 TRP 73 HZ2 TRP 73 1.066 -3.737 -4.982
99 HZ3 TRP 73 HZ3 TRP 73 -0.758 -0.544 -2.818
100 HH2 TRP 73 HH2 TRP 73 -0.165 -1.611 -4.931
101 H GLY 74 H GLY 74 -1.065 -3.721 -0.045
102 1HA GLY 74 HA2 GLY 74 -3.235 -3.197 1.875
103 2HA GLY 74 HA3 GLY 74 -2.919 -2.258 0.424
104 H GLN 75 H GLN 75 -2.467 -4.939 -0.996
105 HA GLN 75 HA GLN 75 -5.054 -5.153 -2.106
106 1HB GLN 75 HB2 GLN 75 -4.163 -6.992 -3.401
107 2HB GLN 75 HB3 GLN 75 -2.967 -5.707 -3.322
108 1HG GLN 75 HG2 GLN 75 -1.927 -6.992 -1.400
109 2HG GLN 75 HG3 GLN 75 -2.975 -8.331 -1.868
110 1HE2 GLN 75 HE21 GLN 75 -0.041 -6.779 -2.394
111 2HE2 GLN 75 HE22 GLN 75 0.445 -7.627 -3.819
112 HA PRO 76 HA PRO 76 -7.120 -8.002 0.544
113 1HB PRO 76 HB2 PRO 76 -8.538 -9.495 -1.243
114 2HB PRO 76 HB3 PRO 76 -8.971 -7.840 -0.801
115 1HG PRO 76 HG2 PRO 76 -7.487 -8.834 -3.202
116 2HG PRO 76 HG3 PRO 76 -8.758 -7.600 -3.103
117 1HD PRO 76 HD2 PRO 76 -6.143 -6.960 -3.296
118 2HD PRO 76 HD3 PRO 76 -7.292 -5.970 -2.375
119 H HIS 77 H HIS 77 -7.132 -10.157 1.280
120 HA HIS 77 HA HIS 77 -4.957 -11.787 0.180
121 1HB HIS 77 HB2 HIS 77 -5.079 -12.992 2.362
122 2HB HIS 77 HB3 HIS 77 -4.706 -11.279 2.524
123 HD1 HIS 77 HD1 HIS 77 -6.023 -10.111 4.256
124 HD2 HIS 77 HD2 HIS 77 -8.014 -13.454 2.797
125 HE1 HIS 77 HE1 HIS 77 -8.136 -10.279 5.610
126 HE2 HIS 77 HE2 HIS 77 -9.365 -12.258 4.651
127 H GLY 78 H GLY 78 -8.387 -11.816 0.867
128 1HA GLY 78 HA2 GLY 78 -8.546 -14.471 -0.425
129 2HA GLY 78 HA3 GLY 78 -9.569 -14.027 0.933
130 H GLY 79 H GLY 79 -10.371 -11.495 0.273
131 1HA GLY 79 HA2 GLY 79 -11.257 -11.255 -2.420
132 2HA GLY 79 HA3 GLY 79 -12.533 -11.912 -1.406
133 H GLY 80 H GLY 80 -10.494 -9.131 -2.027
134 1HA GLY 80 HA2 GLY 80 -10.931 -6.890 -1.700
135 2HA GLY 80 HA3 GLY 80 -12.545 -7.338 -1.166
136 H TRP 81 H TRP 81 -12.011 -5.473 0.308
137 HA TRP 81 HA TRP 81 -11.091 -6.561 2.843
138 1HB TRP 81 HB2 TRP 81 -9.877 -4.166 3.051
139 2HB TRP 81 HB3 TRP 81 -9.046 -5.619 2.507
140 HD1 TRP 81 HD1 TRP 81 -9.204 -5.906 -0.362
141 HE1 TRP 81 HE1 TRP 81 -8.730 -4.075 -2.100
142 HE3 TRP 81 HE3 TRP 81 -9.826 -1.792 2.609
143 HZ2 TRP 81 HZ2 TRP 81 -8.624 -1.254 -2.201
144 HZ3 TRP 81 HZ3 TRP 81 -9.516 0.437 1.613
145 HH2 TRP 81 HH2 TRP 81 -8.928 0.699 -0.741
146 H GLY 82 H GLY 82 -11.644 -3.245 1.737
147 1HA GLY 82 HA2 GLY 82 -13.805 -3.041 3.730
148 2HA GLY 82 HA3 GLY 82 -12.843 -1.692 3.147
149 H GLN 83 H GLN 83 -13.129 -2.874 0.348
150 HA GLN 83 HA GLN 83 -15.237 -1.248 -0.519
151 1HB GLN 83 HB2 GLN 83 -14.927 -2.259 -2.691
152 2HB GLN 83 HB3 GLN 83 -13.356 -2.006 -1.947
153 1HG GLN 83 HG2 GLN 83 -13.494 -4.431 -1.200
154 2HG GLN 83 HG3 GLN 83 -14.847 -4.579 -2.321
155 1HE2 GLN 83 HE21 GLN 83 -14.395 -3.873 -4.573
156 2HE2 GLN 83 HE22 GLN 83 -12.841 -4.243 -5.233
157 HA PRO 84 HA PRO 84 -18.884 -3.643 0.098
158 1HB PRO 84 HB2 PRO 84 -20.351 -3.001 -2.102
159 2HB PRO 84 HB3 PRO 84 -20.098 -1.891 -0.751
160 1HG PRO 84 HG2 PRO 84 -18.689 -2.017 -3.389
161 2HG PRO 84 HG3 PRO 84 -19.274 -0.598 -2.500
162 1HD PRO 84 HD2 PRO 84 -16.678 -1.347 -2.481
163 2HD PRO 84 HD3 PRO 84 -17.454 -0.583 -1.080
164 H HIS 85 H HIS 85 -19.629 -5.661 -0.314
165 HA HIS 85 HA HIS 85 -18.374 -7.116 -2.516
166 1HB HIS 85 HB2 HIS 85 -19.846 -8.038 -0.043
167 2HB HIS 85 HB3 HIS 85 -19.293 -9.134 -1.304
168 HD1 HIS 85 HD1 HIS 85 -17.331 -10.317 -0.371
169 HD2 HIS 85 HD2 HIS 85 -17.259 -6.260 0.519
170 HE1 HIS 85 HE1 HIS 85 -15.145 -9.928 0.808
171 HE2 HIS 85 HE2 HIS 85 -15.162 -7.482 1.414
172 H GLY 86 H GLY 86 -21.504 -6.077 -1.360
173 1HA GLY 86 HA2 GLY 86 -22.709 -7.240 -3.797
174 2HA GLY 86 HA3 GLY 86 -23.549 -7.224 -2.253
175 H GLY 87 H GLY 87 -22.871 -4.619 -1.417
176 1HA GLY 87 HA2 GLY 87 -23.385 -2.650 -3.373
177 2HA GLY 87 HA3 GLY 87 -24.899 -3.115 -2.614
178 H GLY 88 H GLY 88 -21.920 -1.408 -2.255
179 1HA GLY 88 HA2 GLY 88 -21.200 0.108 -0.689
180 2HA GLY 88 HA3 GLY 88 -22.893 0.282 -0.246
181 H TRP 89 H TRP 89 -21.733 0.631 1.880
182 HA TRP 89 HA TRP 89 -21.829 -1.869 3.366
183 1HB TRP 89 HB2 TRP 89 -19.663 -0.826 4.588
184 2HB TRP 89 HB3 TRP 89 -19.558 -2.004 3.285
185 HD1 TRP 89 HD1 TRP 89 -19.422 -0.704 0.708
186 HE1 TRP 89 HE1 TRP 89 -17.881 1.253 0.077
187 HE3 TRP 89 HE3 TRP 89 -18.414 1.076 5.393
188 HZ2 TRP 89 HZ2 TRP 89 -16.421 3.282 1.391
189 HZ3 TRP 89 HZ3 TRP 89 -16.933 3.028 5.619
190 HH2 TRP 89 HH2 TRP 89 -15.957 4.107 3.658
191 H GLY 90 H GLY 90 -20.540 1.314 4.216
192 1HA GLY 90 HA2 GLY 90 -22.886 1.734 5.950
193 2HA GLY 90 HA3 GLY 90 -21.261 1.917 6.594
194 H GLN 91 H GLN 91 -21.715 2.893 3.334
195 HA GLN 91 HA GLN 91 -21.155 5.633 4.040
196 1HB GLN 91 HB2 GLN 91 -21.220 5.960 1.532
197 2HB GLN 91 HB3 GLN 91 -20.016 4.822 2.121
198 1HG GLN 91 HG2 GLN 91 -21.264 2.964 1.390
199 2HG GLN 91 HG3 GLN 91 -22.706 3.943 1.125
200 1HE2 GLN 91 HE21 GLN 91 -22.995 3.516 -1.003
201 2HE2 GLN 91 HE22 GLN 91 -21.883 3.979 -2.242
Start of MODEL 16
1 H TRP 57 H TRP 57 13.284 10.922 -8.628
2 HA TRP 57 HA TRP 57 13.050 9.013 -10.112
3 1HB TRP 57 HB2 TRP 57 14.380 9.308 -7.789
4 2HB TRP 57 HB3 TRP 57 13.382 7.917 -7.371
5 HD1 TRP 57 HD1 TRP 57 14.783 8.376 -10.909
6 HE1 TRP 57 HE1 TRP 57 16.467 6.486 -11.374
7 HE3 TRP 57 HE3 TRP 57 14.966 6.286 -6.247
8 HZ2 TRP 57 HZ2 TRP 57 17.709 4.387 -9.952
9 HZ3 TRP 57 HZ3 TRP 57 16.426 4.340 -5.883
10 HH2 TRP 57 HH2 TRP 57 17.769 3.410 -7.699
11 H GLY 58 H GLY 58 12.508 6.553 -9.716
12 1HA GLY 58 HA2 GLY 58 10.106 5.925 -8.335
13 2HA GLY 58 HA3 GLY 58 9.774 6.217 -10.035
14 H GLN 59 H GLN 59 12.554 4.659 -8.467
15 HA GLN 59 HA GLN 59 11.745 2.034 -9.300
16 1HB GLN 59 HB2 GLN 59 13.525 1.612 -10.875
17 2HB GLN 59 HB3 GLN 59 12.599 3.002 -11.423
18 1HG GLN 59 HG2 GLN 59 14.384 4.419 -10.270
19 2HG GLN 59 HG3 GLN 59 15.338 2.937 -10.212
20 1HE2 GLN 59 HE21 GLN 59 15.244 1.745 -12.447
21 2HE2 GLN 59 HE22 GLN 59 15.621 2.747 -13.802
22 HA PRO 60 HA PRO 60 14.400 0.919 -5.966
23 1HB PRO 60 HB2 PRO 60 15.169 -1.587 -6.680
24 2HB PRO 60 HB3 PRO 60 13.542 -1.208 -6.105
25 1HG PRO 60 HG2 PRO 60 14.524 -1.569 -8.908
26 2HG PRO 60 HG3 PRO 60 13.029 -2.161 -8.161
27 1HD PRO 60 HD2 PRO 60 13.096 0.031 -9.749
28 2HD PRO 60 HD3 PRO 60 11.960 -0.133 -8.395
29 H HIS 61 H HIS 61 16.556 0.794 -5.351
30 HA HIS 61 HA HIS 61 18.469 1.461 -7.452
31 1HB HIS 61 HB2 HIS 61 19.967 2.031 -5.515
32 2HB HIS 61 HB3 HIS 61 18.483 2.976 -5.594
33 HD1 HIS 61 HD1 HIS 61 20.311 0.537 -3.484
34 HD2 HIS 61 HD2 HIS 61 16.587 2.379 -3.563
35 HE1 HIS 61 HE1 HIS 61 19.312 0.130 -1.213
36 HE2 HIS 61 HE2 HIS 61 17.024 1.181 -1.312
37 H GLY 62 H GLY 62 17.757 -1.033 -5.112
38 1HA GLY 62 HA2 GLY 62 19.421 -2.912 -6.473
39 2HA GLY 62 HA3 GLY 62 20.142 -2.406 -4.952
40 H GLY 63 H GLY 63 16.684 -2.715 -5.514
41 1HA GLY 63 HA2 GLY 63 16.380 -5.338 -4.517
42 2HA GLY 63 HA3 GLY 63 16.213 -4.197 -3.192
43 H GLY 64 H GLY 64 14.506 -2.624 -3.287
44 1HA GLY 64 HA2 GLY 64 12.521 -2.755 -5.355
45 2HA GLY 64 HA3 GLY 64 12.020 -3.603 -3.899
46 H TRP 65 H TRP 65 10.289 -2.059 -3.780
47 HA TRP 65 HA TRP 65 11.075 0.310 -2.280
48 1HB TRP 65 HB2 TRP 65 9.129 1.453 -3.763
49 2HB TRP 65 HB3 TRP 65 10.840 1.572 -4.159
50 HD1 TRP 65 HD1 TRP 65 11.664 -0.605 -5.876
51 HE1 TRP 65 HE1 TRP 65 10.461 -1.395 -8.003
52 HE3 TRP 65 HE3 TRP 65 7.027 1.334 -4.945
53 HZ2 TRP 65 HZ2 TRP 65 7.883 -1.213 -9.145
54 HZ3 TRP 65 HZ3 TRP 65 5.248 0.982 -6.609
55 HH2 TRP 65 HH2 TRP 65 5.668 -0.265 -8.665
56 H GLY 66 H GLY 66 8.001 -0.557 -3.796
57 1HA GLY 66 HA2 GLY 66 6.875 -0.897 -1.084
58 2HA GLY 66 HA3 GLY 66 5.989 -0.173 -2.418
59 H GLN 67 H GLN 67 7.920 -2.799 -3.370
60 HA GLN 67 HA GLN 67 5.584 -4.380 -3.949
61 1HB GLN 67 HB2 GLN 67 7.099 -5.863 -5.108
62 2HB GLN 67 HB3 GLN 67 7.501 -4.202 -5.517
63 1HG GLN 67 HG2 GLN 67 9.325 -4.279 -3.848
64 2HG GLN 67 HG3 GLN 67 8.955 -5.983 -3.576
65 1HE2 GLN 67 HE21 GLN 67 9.275 -3.931 -6.458
66 2HE2 GLN 67 HE22 GLN 67 10.411 -4.951 -7.267
67 HA PRO 68 HA PRO 68 5.619 -7.055 -0.449
68 1HB PRO 68 HB2 PRO 68 4.869 -9.427 -1.551
69 2HB PRO 68 HB3 PRO 68 3.751 -8.083 -1.296
70 1HG PRO 68 HG2 PRO 68 5.170 -8.920 -3.794
71 2HG PRO 68 HG3 PRO 68 3.490 -8.391 -3.584
72 1HD PRO 68 HD2 PRO 68 5.422 -6.752 -4.529
73 2HD PRO 68 HD3 PRO 68 4.065 -6.159 -3.552
74 H HIS 69 H HIS 69 6.848 -8.600 0.623
75 HA HIS 69 HA HIS 69 9.332 -9.337 -0.732
76 1HB HIS 69 HB2 HIS 69 9.498 -8.162 1.426
77 2HB HIS 69 HB3 HIS 69 8.599 -9.460 2.202
78 HD1 HIS 69 HD1 HIS 69 10.773 -9.667 3.743
79 HD2 HIS 69 HD2 HIS 69 11.258 -10.746 -0.240
80 HE1 HIS 69 HE1 HIS 69 12.912 -10.988 3.660
81 HE2 HIS 69 HE2 HIS 69 13.228 -11.558 1.226
82 H GLY 70 H GLY 70 6.489 -10.742 0.724
83 1HA GLY 70 HA2 GLY 70 6.953 -13.250 -0.553
84 2HA GLY 70 HA3 GLY 70 7.278 -13.351 1.171
85 H GLY 71 H GLY 71 4.804 -11.372 -0.395
86 1HA GLY 71 HA2 GLY 71 2.635 -13.116 -0.078
87 2HA GLY 71 HA3 GLY 71 2.781 -12.170 1.396
88 H GLY 72 H GLY 72 2.633 -9.841 1.232
89 1HA GLY 72 HA2 GLY 72 1.823 -8.595 -1.212
90 2HA GLY 72 HA3 GLY 72 0.446 -8.929 -0.171
91 H TRP 73 H TRP 73 0.113 -6.640 -0.085
92 HA TRP 73 HA TRP 73 1.625 -5.409 2.075
93 1HB TRP 73 HB2 TRP 73 1.442 -3.234 0.488
94 2HB TRP 73 HB3 TRP 73 2.869 -4.263 0.553
95 HD1 TRP 73 HD1 TRP 73 2.713 -6.393 -1.390
96 HE1 TRP 73 HE1 TRP 73 2.082 -6.147 -3.867
97 HE3 TRP 73 HE3 TRP 73 0.248 -1.922 -1.151
98 HZ2 TRP 73 HZ2 TRP 73 0.723 -4.293 -5.511
99 HZ3 TRP 73 HZ3 TRP 73 -0.686 -0.979 -3.224
100 HH2 TRP 73 HH2 TRP 73 -0.452 -2.143 -5.358
101 H GLY 74 H GLY 74 -0.601 -4.041 -0.307
102 1HA GLY 74 HA2 GLY 74 -2.444 -3.423 1.910
103 2HA GLY 74 HA3 GLY 74 -2.318 -2.499 0.421
104 H GLN 75 H GLN 75 -2.141 -5.205 -1.022
105 HA GLN 75 HA GLN 75 -4.812 -5.346 -1.840
106 1HB GLN 75 HB2 GLN 75 -4.179 -7.337 -3.058
107 2HB GLN 75 HB3 GLN 75 -2.883 -6.154 -3.171
108 1HG GLN 75 HG2 GLN 75 -1.816 -7.397 -1.216
109 2HG GLN 75 HG3 GLN 75 -2.973 -8.681 -1.565
110 1HE2 GLN 75 HE21 GLN 75 0.009 -7.314 -2.350
111 2HE2 GLN 75 HE22 GLN 75 0.363 -8.269 -3.744
112 HA PRO 76 HA PRO 76 -6.851 -7.821 1.181
113 1HB PRO 76 HB2 PRO 76 -8.535 -9.306 -0.362
114 2HB PRO 76 HB3 PRO 76 -8.794 -7.592 -0.016
115 1HG PRO 76 HG2 PRO 76 -7.610 -8.877 -2.446
116 2HG PRO 76 HG3 PRO 76 -8.766 -7.536 -2.341
117 1HD PRO 76 HD2 PRO 76 -6.135 -7.137 -2.795
118 2HD PRO 76 HD3 PRO 76 -7.118 -5.990 -1.863
119 H HIS 77 H HIS 77 -6.908 -9.881 2.107
120 HA HIS 77 HA HIS 77 -5.081 -11.819 0.864
121 1HB HIS 77 HB2 HIS 77 -4.727 -10.778 3.246
122 2HB HIS 77 HB3 HIS 77 -5.929 -11.969 3.734
123 HD1 HIS 77 HD1 HIS 77 -3.343 -12.413 5.016
124 HD2 HIS 77 HD2 HIS 77 -4.115 -13.867 1.201
125 HE1 HIS 77 HE1 HIS 77 -1.706 -14.289 4.668
126 HE2 HIS 77 HE2 HIS 77 -2.250 -15.210 2.388
127 H GLY 78 H GLY 78 -8.291 -11.397 2.180
128 1HA GLY 78 HA2 GLY 78 -8.939 -14.131 1.268
129 2HA GLY 78 HA3 GLY 78 -9.578 -13.489 2.773
130 H GLY 79 H GLY 79 -9.227 -11.514 -0.088
131 1HA GLY 79 HA2 GLY 79 -10.884 -11.024 -1.716
132 2HA GLY 79 HA3 GLY 79 -12.086 -11.779 -0.681
133 H GLY 80 H GLY 80 -10.369 -8.867 -1.441
134 1HA GLY 80 HA2 GLY 80 -10.769 -6.674 -0.891
135 2HA GLY 80 HA3 GLY 80 -12.379 -7.195 -0.414
136 H TRP 81 H TRP 81 -11.916 -5.387 1.158
137 HA TRP 81 HA TRP 81 -11.010 -6.578 3.654
138 1HB TRP 81 HB2 TRP 81 -9.895 -4.148 4.006
139 2HB TRP 81 HB3 TRP 81 -8.999 -5.541 3.411
140 HD1 TRP 81 HD1 TRP 81 -9.116 -5.695 0.522
141 HE1 TRP 81 HE1 TRP 81 -8.667 -3.766 -1.114
142 HE3 TRP 81 HE3 TRP 81 -9.888 -1.757 3.688
143 HZ2 TRP 81 HZ2 TRP 81 -8.635 -0.941 -1.069
144 HZ3 TRP 81 HZ3 TRP 81 -9.626 0.528 2.813
145 HH2 TRP 81 HH2 TRP 81 -9.012 0.925 0.484
146 H GLY 82 H GLY 82 -11.636 -3.211 2.768
147 1HA GLY 82 HA2 GLY 82 -13.964 -3.275 4.586
148 2HA GLY 82 HA3 GLY 82 -12.922 -1.876 4.379
149 H GLN 83 H GLN 83 -13.529 -3.517 1.469
150 HA GLN 83 HA GLN 83 -15.283 -1.350 0.608
151 1HB GLN 83 HB2 GLN 83 -14.786 -2.067 -1.650
152 2HB GLN 83 HB3 GLN 83 -13.287 -1.917 -0.742
153 1HG GLN 83 HG2 GLN 83 -13.431 -4.408 -0.347
154 2HG GLN 83 HG3 GLN 83 -14.723 -4.427 -1.548
155 1HE2 GLN 83 HE21 GLN 83 -14.047 -3.066 -3.578
156 2HE2 GLN 83 HE22 GLN 83 -12.503 -3.485 -4.231
157 HA PRO 84 HA PRO 84 -18.990 -3.727 0.569
158 1HB PRO 84 HB2 PRO 84 -20.196 -2.831 -1.711
159 2HB PRO 84 HB3 PRO 84 -20.129 -1.901 -0.212
160 1HG PRO 84 HG2 PRO 84 -18.412 -1.687 -2.653
161 2HG PRO 84 HG3 PRO 84 -19.112 -0.395 -1.658
162 1HD PRO 84 HD2 PRO 84 -16.530 -1.139 -1.432
163 2HD PRO 84 HD3 PRO 84 -17.478 -0.586 -0.036
164 H HIS 85 H HIS 85 -19.895 -5.579 -0.285
165 HA HIS 85 HA HIS 85 -18.335 -6.867 -2.406
166 1HB HIS 85 HB2 HIS 85 -19.961 -7.869 -0.108
167 2HB HIS 85 HB3 HIS 85 -19.776 -8.901 -1.522
168 HD1 HIS 85 HD1 HIS 85 -18.418 -8.784 1.597
169 HD2 HIS 85 HD2 HIS 85 -16.653 -8.613 -2.161
170 HE1 HIS 85 HE1 HIS 85 -16.032 -9.497 1.942
171 HE2 HIS 85 HE2 HIS 85 -14.961 -9.304 -0.331
172 H GLY 86 H GLY 86 -21.553 -5.793 -1.582
173 1HA GLY 86 HA2 GLY 86 -22.538 -6.833 -4.162
174 2HA GLY 86 HA3 GLY 86 -23.556 -6.490 -2.772
175 H GLY 87 H GLY 87 -22.088 -3.952 -2.248
176 1HA GLY 87 HA2 GLY 87 -22.143 -2.204 -4.409
177 2HA GLY 87 HA3 GLY 87 -23.774 -2.239 -3.754
178 H GLY 88 H GLY 88 -23.206 -2.487 -1.032
179 1HA GLY 88 HA2 GLY 88 -21.394 -0.327 -0.313
180 2HA GLY 88 HA3 GLY 88 -23.102 0.002 -0.056
181 H TRP 89 H TRP 89 -22.510 0.239 2.193
182 HA TRP 89 HA TRP 89 -22.706 -2.304 3.597
183 1HB TRP 89 HB2 TRP 89 -20.908 -1.135 5.233
184 2HB TRP 89 HB3 TRP 89 -20.460 -2.266 3.962
185 HD1 TRP 89 HD1 TRP 89 -19.945 -0.883 1.473
186 HE1 TRP 89 HE1 TRP 89 -18.470 1.198 1.174
187 HE3 TRP 89 HE3 TRP 89 -19.973 0.823 6.292
188 HZ2 TRP 89 HZ2 TRP 89 -17.441 3.288 2.772
189 HZ3 TRP 89 HZ3 TRP 89 -18.714 2.870 6.824
190 HH2 TRP 89 HH2 TRP 89 -17.475 4.075 5.099
191 H GLY 90 H GLY 90 -21.849 0.925 4.753
192 1HA GLY 90 HA2 GLY 90 -24.539 1.199 5.906
193 2HA GLY 90 HA3 GLY 90 -23.136 1.338 6.954
194 H GLN 91 H GLN 91 -22.873 2.502 3.718
195 HA GLN 91 HA GLN 91 -22.250 5.131 4.582
196 1HB GLN 91 HB2 GLN 91 -22.975 4.437 1.750
197 2HB GLN 91 HB3 GLN 91 -21.807 5.617 2.329
198 1HG GLN 91 HG2 GLN 91 -20.488 3.632 3.220
199 2HG GLN 91 HG3 GLN 91 -21.552 2.630 2.232
200 1HE2 GLN 91 HE21 GLN 91 -19.887 5.733 1.765
201 2HE2 GLN 91 HE22 GLN 91 -19.130 5.297 0.274
Start of MODEL 17
1 H TRP 57 H TRP 57 10.563 8.586 -3.727
2 HA TRP 57 HA TRP 57 13.332 7.850 -4.350
3 1HB TRP 57 HB2 TRP 57 11.748 6.926 -2.428
4 2HB TRP 57 HB3 TRP 57 11.085 5.975 -3.752
5 HD1 TRP 57 HD1 TRP 57 12.063 3.623 -3.483
6 HE1 TRP 57 HE1 TRP 57 14.414 2.636 -3.132
7 HE3 TRP 57 HE3 TRP 57 14.690 7.971 -2.902
8 HZ2 TRP 57 HZ2 TRP 57 17.035 3.576 -2.669
9 HZ3 TRP 57 HZ3 TRP 57 17.116 7.839 -2.509
10 HH2 TRP 57 HH2 TRP 57 18.262 5.687 -2.394
11 H GLY 58 H GLY 58 13.765 6.726 -6.208
12 1HA GLY 58 HA2 GLY 58 11.548 6.548 -8.156
13 2HA GLY 58 HA3 GLY 58 13.190 6.983 -8.602
14 H GLN 59 H GLN 59 14.471 5.013 -6.930
15 HA GLN 59 HA GLN 59 13.498 2.460 -7.943
16 1HB GLN 59 HB2 GLN 59 15.603 1.859 -8.971
17 2HB GLN 59 HB3 GLN 59 15.014 3.350 -9.693
18 1HG GLN 59 HG2 GLN 59 16.534 4.551 -8.037
19 2HG GLN 59 HG3 GLN 59 17.274 2.976 -7.761
20 1HE2 GLN 59 HE21 GLN 59 18.396 5.421 -8.912
21 2HE2 GLN 59 HE22 GLN 59 18.979 4.983 -10.479
22 HA PRO 60 HA PRO 60 14.938 0.951 -4.064
23 1HB PRO 60 HB2 PRO 60 15.687 -1.591 -4.701
24 2HB PRO 60 HB3 PRO 60 14.002 -1.082 -4.556
25 1HG PRO 60 HG2 PRO 60 15.674 -1.426 -7.013
26 2HG PRO 60 HG3 PRO 60 13.985 -1.891 -6.733
27 1HD PRO 60 HD2 PRO 60 14.666 0.337 -8.104
28 2HD PRO 60 HD3 PRO 60 13.204 0.248 -7.101
29 H HIS 61 H HIS 61 16.800 0.519 -2.858
30 HA HIS 61 HA HIS 61 19.301 1.072 -4.274
31 1HB HIS 61 HB2 HIS 61 20.194 1.462 -1.946
32 2HB HIS 61 HB3 HIS 61 18.921 2.568 -2.453
33 HD1 HIS 61 HD1 HIS 61 19.199 -0.673 -0.473
34 HD2 HIS 61 HD2 HIS 61 16.959 2.823 -0.612
35 HE1 HIS 61 HE1 HIS 61 17.635 -0.799 1.492
36 HE2 HIS 61 HE2 HIS 61 16.231 1.288 1.338
37 H GLY 62 H GLY 62 17.701 -1.362 -2.348
38 1HA GLY 62 HA2 GLY 62 19.447 -3.409 -3.239
39 2HA GLY 62 HA3 GLY 62 19.853 -2.951 -1.593
40 H GLY 63 H GLY 63 16.605 -2.931 -2.952
41 1HA GLY 63 HA2 GLY 63 15.836 -5.485 -1.986
42 2HA GLY 63 HA3 GLY 63 15.418 -4.248 -0.811
43 H GLY 64 H GLY 64 14.112 -2.396 -1.653
44 1HA GLY 64 HA2 GLY 64 12.714 -2.530 -4.092
45 2HA GLY 64 HA3 GLY 64 11.756 -3.332 -2.854
46 H TRP 65 H TRP 65 10.170 -1.676 -3.251
47 HA TRP 65 HA TRP 65 10.620 0.650 -1.558
48 1HB TRP 65 HB2 TRP 65 9.281 1.901 -3.540
49 2HB TRP 65 HB3 TRP 65 11.036 1.906 -3.409
50 HD1 TRP 65 HD1 TRP 65 12.190 -0.338 -4.825
51 HE1 TRP 65 HE1 TRP 65 11.623 -1.069 -7.220
52 HE3 TRP 65 HE3 TRP 65 7.622 1.909 -5.294
53 HZ2 TRP 65 HZ2 TRP 65 9.519 -0.731 -9.076
54 HZ3 TRP 65 HZ3 TRP 65 6.399 1.657 -7.415
55 HH2 TRP 65 HH2 TRP 65 7.329 0.364 -9.265
56 H GLY 66 H GLY 66 8.100 -0.073 -3.931
57 1HA GLY 66 HA2 GLY 66 6.143 -0.049 -1.733
58 2HA GLY 66 HA3 GLY 66 5.783 0.297 -3.418
59 H GLN 67 H GLN 67 7.551 -2.099 -4.124
60 HA GLN 67 HA GLN 67 5.462 -3.975 -4.402
61 1HB GLN 67 HB2 GLN 67 7.129 -5.451 -5.338
62 2HB GLN 67 HB3 GLN 67 7.422 -3.818 -5.918
63 1HG GLN 67 HG2 GLN 67 9.114 -3.634 -4.018
64 2HG GLN 67 HG3 GLN 67 8.967 -5.386 -3.887
65 1HE2 GLN 67 HE21 GLN 67 9.105 -6.484 -6.137
66 2HE2 GLN 67 HE22 GLN 67 10.428 -5.968 -7.120
67 HA PRO 68 HA PRO 68 5.559 -6.228 -0.616
68 1HB PRO 68 HB2 PRO 68 5.006 -8.752 -1.455
69 2HB PRO 68 HB3 PRO 68 3.793 -7.468 -1.400
70 1HG PRO 68 HG2 PRO 68 5.370 -8.485 -3.731
71 2HG PRO 68 HG3 PRO 68 3.649 -8.064 -3.642
72 1HD PRO 68 HD2 PRO 68 5.497 -6.402 -4.709
73 2HD PRO 68 HD3 PRO 68 4.062 -5.805 -3.851
74 H HIS 69 H HIS 69 7.077 -7.124 0.653
75 HA HIS 69 HA HIS 69 9.500 -8.135 -0.617
76 1HB HIS 69 HB2 HIS 69 10.399 -8.033 1.753
77 2HB HIS 69 HB3 HIS 69 9.933 -6.490 1.044
78 HD1 HIS 69 HD1 HIS 69 8.478 -9.112 3.380
79 HD2 HIS 69 HD2 HIS 69 8.241 -5.040 2.590
80 HE1 HIS 69 HE1 HIS 69 6.998 -8.164 5.177
81 HE2 HIS 69 HE2 HIS 69 6.940 -5.685 4.731
82 H GLY 70 H GLY 70 6.829 -9.204 1.355
83 1HA GLY 70 HA2 GLY 70 7.977 -11.928 1.325
84 2HA GLY 70 HA3 GLY 70 7.045 -11.309 2.680
85 H GLY 71 H GLY 71 5.019 -9.998 1.166
86 1HA GLY 71 HA2 GLY 71 3.807 -12.120 -0.441
87 2HA GLY 71 HA3 GLY 71 2.962 -11.636 1.020
88 H GLY 72 H GLY 72 2.101 -9.503 1.159
89 1HA GLY 72 HA2 GLY 72 1.903 -8.113 -1.441
90 2HA GLY 72 HA3 GLY 72 0.472 -8.435 -0.471
91 H TRP 73 H TRP 73 0.052 -6.180 -0.444
92 HA TRP 73 HA TRP 73 1.450 -4.815 1.713
93 1HB TRP 73 HB2 TRP 73 1.234 -2.705 0.045
94 2HB TRP 73 HB3 TRP 73 2.694 -3.678 0.184
95 HD1 TRP 73 HD1 TRP 73 2.659 -5.882 -1.684
96 HE1 TRP 73 HE1 TRP 73 2.091 -5.742 -4.184
97 HE3 TRP 73 HE3 TRP 73 0.051 -1.486 -1.673
98 HZ2 TRP 73 HZ2 TRP 73 0.723 -3.993 -5.931
99 HZ3 TRP 73 HZ3 TRP 73 -0.852 -0.647 -3.802
100 HH2 TRP 73 HH2 TRP 73 -0.522 -1.875 -5.886
101 H GLY 74 H GLY 74 -0.757 -3.624 -0.781
102 1HA GLY 74 HA2 GLY 74 -2.646 -2.900 1.351
103 2HA GLY 74 HA3 GLY 74 -2.586 -2.177 -0.250
104 H GLN 75 H GLN 75 -2.268 -5.051 -1.308
105 HA GLN 75 HA GLN 75 -4.928 -5.439 -2.075
106 1HB GLN 75 HB2 GLN 75 -4.201 -7.556 -2.992
107 2HB GLN 75 HB3 GLN 75 -2.963 -6.342 -3.286
108 1HG GLN 75 HG2 GLN 75 -1.856 -7.241 -1.157
109 2HG GLN 75 HG3 GLN 75 -2.932 -8.625 -1.352
110 1HE2 GLN 75 HE21 GLN 75 -0.640 -6.650 -3.201
111 2HE2 GLN 75 HE22 GLN 75 0.034 -7.963 -4.099
112 HA PRO 76 HA PRO 76 -6.861 -7.528 1.286
113 1HB PRO 76 HB2 PRO 76 -8.452 -9.319 -0.021
114 2HB PRO 76 HB3 PRO 76 -8.810 -7.593 0.083
115 1HG PRO 76 HG2 PRO 76 -7.554 -9.137 -2.151
116 2HG PRO 76 HG3 PRO 76 -8.776 -7.854 -2.224
117 1HD PRO 76 HD2 PRO 76 -6.170 -7.389 -2.748
118 2HD PRO 76 HD3 PRO 76 -7.210 -6.175 -1.977
119 H HIS 77 H HIS 77 -6.858 -9.446 2.498
120 HA HIS 77 HA HIS 77 -4.946 -11.472 1.544
121 1HB HIS 77 HB2 HIS 77 -4.735 -12.003 4.033
122 2HB HIS 77 HB3 HIS 77 -4.056 -10.470 3.493
123 HD1 HIS 77 HD1 HIS 77 -5.579 -8.311 4.008
124 HD2 HIS 77 HD2 HIS 77 -6.589 -11.800 6.026
125 HE1 HIS 77 HE1 HIS 77 -7.042 -7.581 5.918
126 HE2 HIS 77 HE2 HIS 77 -7.570 -9.700 7.176
127 H GLY 78 H GLY 78 -8.134 -10.942 2.863
128 1HA GLY 78 HA2 GLY 78 -8.709 -13.802 2.421
129 2HA GLY 78 HA3 GLY 78 -9.282 -12.982 3.866
130 H GLY 79 H GLY 79 -9.198 -11.338 0.795
131 1HA GLY 79 HA2 GLY 79 -11.000 -11.235 -0.790
132 2HA GLY 79 HA3 GLY 79 -12.095 -11.755 0.482
133 H GLY 80 H GLY 80 -10.520 -9.079 -1.028
134 1HA GLY 80 HA2 GLY 80 -10.842 -6.811 -0.859
135 2HA GLY 80 HA3 GLY 80 -12.411 -7.206 -0.170
136 H TRP 81 H TRP 81 -11.803 -5.123 0.968
137 HA TRP 81 HA TRP 81 -10.725 -5.821 3.580
138 1HB TRP 81 HB2 TRP 81 -9.557 -3.402 3.359
139 2HB TRP 81 HB3 TRP 81 -8.725 -4.908 2.988
140 HD1 TRP 81 HD1 TRP 81 -9.056 -5.625 0.207
141 HE1 TRP 81 HE1 TRP 81 -8.719 -4.068 -1.809
142 HE3 TRP 81 HE3 TRP 81 -9.567 -1.121 2.571
143 HZ2 TRP 81 HZ2 TRP 81 -8.668 -1.292 -2.331
144 HZ3 TRP 81 HZ3 TRP 81 -9.357 0.938 1.241
145 HH2 TRP 81 HH2 TRP 81 -8.916 0.853 -1.159
146 H GLY 82 H GLY 82 -11.403 -2.700 2.056
147 1HA GLY 82 HA2 GLY 82 -13.425 -2.221 4.140
148 2HA GLY 82 HA3 GLY 82 -12.563 -0.971 3.257
149 H GLN 83 H GLN 83 -13.047 -2.646 0.739
150 HA GLN 83 HA GLN 83 -15.245 -1.221 -0.231
151 1HB GLN 83 HB2 GLN 83 -15.145 -2.694 -2.171
152 2HB GLN 83 HB3 GLN 83 -13.525 -2.221 -1.676
153 1HG GLN 83 HG2 GLN 83 -13.399 -4.413 -0.434
154 2HG GLN 83 HG3 GLN 83 -14.883 -4.867 -1.273
155 1HE2 GLN 83 HE21 GLN 83 -11.510 -4.026 -1.675
156 2HE2 GLN 83 HE22 GLN 83 -11.318 -4.740 -3.236
157 HA PRO 84 HA PRO 84 -18.872 -3.290 1.150
158 1HB PRO 84 HB2 PRO 84 -20.334 -3.406 -1.191
159 2HB PRO 84 HB3 PRO 84 -20.229 -1.993 -0.139
160 1HG PRO 84 HG2 PRO 84 -18.743 -2.597 -2.657
161 2HG PRO 84 HG3 PRO 84 -19.415 -1.057 -2.090
162 1HD PRO 84 HD2 PRO 84 -16.790 -1.598 -1.920
163 2HD PRO 84 HD3 PRO 84 -17.629 -0.658 -0.669
164 H HIS 85 H HIS 85 -20.106 -5.251 0.970
165 HA HIS 85 HA HIS 85 -18.693 -7.348 -0.540
166 1HB HIS 85 HB2 HIS 85 -19.706 -8.895 1.222
167 2HB HIS 85 HB3 HIS 85 -18.417 -7.824 1.760
168 HD1 HIS 85 HD1 HIS 85 -18.946 -6.258 3.649
169 HD2 HIS 85 HD2 HIS 85 -22.342 -8.047 2.057
170 HE1 HIS 85 HE1 HIS 85 -20.826 -5.625 5.194
171 HE2 HIS 85 HE2 HIS 85 -22.855 -6.792 4.260
172 H GLY 86 H GLY 86 -21.795 -5.949 0.257
173 1HA GLY 86 HA2 GLY 86 -23.073 -7.845 -1.617
174 2HA GLY 86 HA3 GLY 86 -23.903 -7.118 -0.250
175 H GLY 87 H GLY 87 -21.741 -5.113 -2.042
176 1HA GLY 87 HA2 GLY 87 -22.264 -3.764 -3.948
177 2HA GLY 87 HA3 GLY 87 -23.969 -4.019 -3.617
178 H GLY 88 H GLY 88 -22.261 -3.364 -0.777
179 1HA GLY 88 HA2 GLY 88 -21.779 -0.691 -0.670
180 2HA GLY 88 HA3 GLY 88 -23.532 -0.786 -0.547
181 H TRP 89 H TRP 89 -22.884 0.319 1.528
182 HA TRP 89 HA TRP 89 -22.886 -1.659 3.653
183 1HB TRP 89 HB2 TRP 89 -21.115 -0.072 4.824
184 2HB TRP 89 HB3 TRP 89 -20.596 -1.388 3.775
185 HD1 TRP 89 HD1 TRP 89 -20.349 -0.478 1.036
186 HE1 TRP 89 HE1 TRP 89 -19.120 1.624 0.241
187 HE3 TRP 89 HE3 TRP 89 -20.312 2.127 5.428
188 HZ2 TRP 89 HZ2 TRP 89 -18.227 4.075 1.338
189 HZ3 TRP 89 HZ3 TRP 89 -19.246 4.345 5.473
190 HH2 TRP 89 HH2 TRP 89 -18.225 5.297 3.469
191 H GLY 90 H GLY 90 -22.486 1.823 3.163
192 1HA GLY 90 HA2 GLY 90 -25.026 2.353 4.474
193 2HA GLY 90 HA3 GLY 90 -23.597 2.955 5.306
194 H GLN 91 H GLN 91 -22.029 3.728 3.181
195 HA GLN 91 HA GLN 91 -21.608 5.664 2.040
196 1HB GLN 91 HB2 GLN 91 -24.159 5.317 0.545
197 2HB GLN 91 HB3 GLN 91 -22.539 5.634 -0.058
198 1HG GLN 91 HG2 GLN 91 -21.903 3.351 0.250
199 2HG GLN 91 HG3 GLN 91 -23.416 2.990 1.082
200 1HE2 GLN 91 HE21 GLN 91 -25.317 2.821 -0.111
201 2HE2 GLN 91 HE22 GLN 91 -25.309 2.606 -1.825
Start of MODEL 18
1 H TRP 57 H TRP 57 8.901 3.593 -13.055
2 HA TRP 57 HA TRP 57 10.612 3.539 -11.397
3 1HB TRP 57 HB2 TRP 57 8.929 2.596 -9.684
4 2HB TRP 57 HB3 TRP 57 9.306 1.022 -10.376
5 HD1 TRP 57 HD1 TRP 57 10.882 -0.170 -8.755
6 HE1 TRP 57 HE1 TRP 57 12.988 0.469 -7.420
7 HE3 TRP 57 HE3 TRP 57 11.113 4.801 -9.930
8 HZ2 TRP 57 HZ2 TRP 57 14.542 2.774 -6.931
9 HZ3 TRP 57 HZ3 TRP 57 12.940 6.151 -8.987
10 HH2 TRP 57 HH2 TRP 57 14.619 5.158 -7.518
11 H GLY 58 H GLY 58 12.464 2.291 -11.809
12 1HA GLY 58 HA2 GLY 58 12.134 0.423 -14.061
13 2HA GLY 58 HA3 GLY 58 13.593 1.336 -13.704
14 H GLN 59 H GLN 59 13.912 0.801 -11.009
15 HA GLN 59 HA GLN 59 13.713 -1.960 -10.392
16 1HB GLN 59 HB2 GLN 59 16.032 -2.617 -10.580
17 2HB GLN 59 HB3 GLN 59 15.458 -2.075 -12.150
18 1HG GLN 59 HG2 GLN 59 16.475 0.193 -11.514
19 2HG GLN 59 HG3 GLN 59 17.327 -0.704 -10.257
20 1HE2 GLN 59 HE21 GLN 59 18.506 0.694 -12.440
21 2HE2 GLN 59 HE22 GLN 59 19.353 -0.464 -13.401
22 HA PRO 60 HA PRO 60 14.475 -0.352 -6.361
23 1HB PRO 60 HB2 PRO 60 15.574 -2.501 -5.103
24 2HB PRO 60 HB3 PRO 60 13.856 -2.385 -5.496
25 1HG PRO 60 HG2 PRO 60 16.040 -3.824 -6.953
26 2HG PRO 60 HG3 PRO 60 14.389 -4.364 -6.594
27 1HD PRO 60 HD2 PRO 60 15.097 -3.409 -9.019
28 2HD PRO 60 HD3 PRO 60 13.479 -3.153 -8.336
29 H HIS 61 H HIS 61 16.098 0.405 -4.954
30 HA HIS 61 HA HIS 61 18.783 0.414 -6.145
31 1HB HIS 61 HB2 HIS 61 17.699 2.612 -5.843
32 2HB HIS 61 HB3 HIS 61 17.575 2.304 -4.114
33 HD1 HIS 61 HD1 HIS 61 19.018 4.558 -3.929
34 HD2 HIS 61 HD2 HIS 61 20.971 1.261 -5.535
35 HE1 HIS 61 HE1 HIS 61 21.470 5.103 -3.806
36 HE2 HIS 61 HE2 HIS 61 22.635 3.058 -4.705
37 H GLY 62 H GLY 62 17.000 -0.342 -3.236
38 1HA GLY 62 HA2 GLY 62 19.504 -1.379 -2.056
39 2HA GLY 62 HA3 GLY 62 18.252 -0.618 -1.087
40 H GLY 63 H GLY 63 15.981 -1.783 -2.212
41 1HA GLY 63 HA2 GLY 63 16.135 -4.588 -2.467
42 2HA GLY 63 HA3 GLY 63 15.808 -4.183 -0.788
43 H GLY 64 H GLY 64 14.546 -4.308 -4.009
44 1HA GLY 64 HA2 GLY 64 12.393 -4.225 -4.805
45 2HA GLY 64 HA3 GLY 64 11.876 -4.500 -3.147
46 H TRP 65 H TRP 65 10.104 -3.071 -4.034
47 HA TRP 65 HA TRP 65 10.640 -0.345 -3.178
48 1HB TRP 65 HB2 TRP 65 9.148 0.275 -5.332
49 2HB TRP 65 HB3 TRP 65 10.908 0.287 -5.350
50 HD1 TRP 65 HD1 TRP 65 11.967 -2.279 -6.141
51 HE1 TRP 65 HE1 TRP 65 11.204 -3.682 -8.153
52 HE3 TRP 65 HE3 TRP 65 7.335 -0.231 -6.845
53 HZ2 TRP 65 HZ2 TRP 65 8.938 -3.890 -9.829
54 HZ3 TRP 65 HZ3 TRP 65 5.934 -1.088 -8.677
55 HH2 TRP 65 HH2 TRP 65 6.721 -2.880 -10.137
56 H GLY 66 H GLY 66 7.978 -1.788 -5.011
57 1HA GLY 66 HA2 GLY 66 6.189 -1.096 -2.775
58 2HA GLY 66 HA3 GLY 66 5.695 -1.225 -4.456
59 H GLN 67 H GLN 67 7.420 -3.739 -4.625
60 HA GLN 67 HA GLN 67 5.367 -5.609 -4.280
61 1HB GLN 67 HB2 GLN 67 7.028 -7.299 -4.752
62 2HB GLN 67 HB3 GLN 67 7.315 -5.907 -5.787
63 1HG GLN 67 HG2 GLN 67 9.033 -5.171 -4.073
64 2HG GLN 67 HG3 GLN 67 8.869 -6.782 -3.376
65 1HE2 GLN 67 HE21 GLN 67 10.033 -8.382 -4.211
66 2HE2 GLN 67 HE22 GLN 67 10.942 -8.300 -5.678
67 HA PRO 68 HA PRO 68 5.465 -6.673 -0.006
68 1HB PRO 68 HB2 PRO 68 4.948 -9.345 -0.087
69 2HB PRO 68 HB3 PRO 68 3.718 -8.111 -0.381
70 1HG PRO 68 HG2 PRO 68 5.286 -9.733 -2.348
71 2HG PRO 68 HG3 PRO 68 3.563 -9.310 -2.365
72 1HD PRO 68 HD2 PRO 68 5.389 -8.011 -3.878
73 2HD PRO 68 HD3 PRO 68 3.961 -7.199 -3.207
74 H HIS 69 H HIS 69 6.751 -7.588 1.602
75 HA HIS 69 HA HIS 69 9.342 -8.569 0.666
76 1HB HIS 69 HB2 HIS 69 10.049 -8.118 3.043
77 2HB HIS 69 HB3 HIS 69 9.518 -6.698 2.147
78 HD1 HIS 69 HD1 HIS 69 7.970 -5.246 3.403
79 HD2 HIS 69 HD2 HIS 69 7.758 -9.192 4.686
80 HE1 HIS 69 HE1 HIS 69 6.339 -5.243 5.317
81 HE2 HIS 69 HE2 HIS 69 6.293 -7.627 6.132
82 H GLY 70 H GLY 70 6.560 -9.523 2.550
83 1HA GLY 70 HA2 GLY 70 7.502 -12.276 2.511
84 2HA GLY 70 HA3 GLY 70 7.278 -11.572 4.105
85 H GLY 71 H GLY 71 5.230 -10.672 1.430
86 1HA GLY 71 HA2 GLY 71 3.215 -12.545 1.551
87 2HA GLY 71 HA3 GLY 71 2.883 -11.432 2.870
88 H GLY 72 H GLY 72 1.939 -9.503 2.441
89 1HA GLY 72 HA2 GLY 72 1.652 -8.742 -0.397
90 2HA GLY 72 HA3 GLY 72 0.257 -8.789 0.670
91 H TRP 73 H TRP 73 -0.048 -6.555 0.103
92 HA TRP 73 HA TRP 73 1.409 -4.792 1.902
93 1HB TRP 73 HB2 TRP 73 1.311 -3.125 -0.215
94 2HB TRP 73 HB3 TRP 73 2.717 -4.112 0.169
95 HD1 TRP 73 HD1 TRP 73 2.571 -6.687 -1.135
96 HE1 TRP 73 HE1 TRP 73 2.018 -7.107 -3.607
97 HE3 TRP 73 HE3 TRP 73 0.199 -2.284 -2.187
98 HZ2 TRP 73 HZ2 TRP 73 0.748 -5.746 -5.733
99 HZ3 TRP 73 HZ3 TRP 73 -0.654 -1.920 -4.466
100 HH2 TRP 73 HH2 TRP 73 -0.383 -3.617 -6.201
101 H GLY 74 H GLY 74 -0.730 -4.129 -0.836
102 1HA GLY 74 HA2 GLY 74 -2.617 -2.890 1.056
103 2HA GLY 74 HA3 GLY 74 -2.454 -2.451 -0.638
104 H GLN 75 H GLN 75 -2.282 -5.444 -1.240
105 HA GLN 75 HA GLN 75 -4.951 -5.811 -1.999
106 1HB GLN 75 HB2 GLN 75 -4.312 -8.064 -2.608
107 2HB GLN 75 HB3 GLN 75 -3.020 -6.956 -3.048
108 1HG GLN 75 HG2 GLN 75 -1.948 -7.598 -0.825
109 2HG GLN 75 HG3 GLN 75 -3.105 -8.929 -0.795
110 1HE2 GLN 75 HE21 GLN 75 -1.045 -7.416 -3.262
111 2HE2 GLN 75 HE22 GLN 75 -0.337 -8.891 -3.818
112 HA PRO 76 HA PRO 76 -7.013 -7.329 1.583
113 1HB PRO 76 HB2 PRO 76 -8.659 -9.225 0.506
114 2HB PRO 76 HB3 PRO 76 -8.951 -7.488 0.375
115 1HG PRO 76 HG2 PRO 76 -7.741 -9.362 -1.617
116 2HG PRO 76 HG3 PRO 76 -8.905 -8.048 -1.876
117 1HD PRO 76 HD2 PRO 76 -6.277 -7.768 -2.421
118 2HD PRO 76 HD3 PRO 76 -7.269 -6.420 -1.831
119 H HIS 77 H HIS 77 -7.100 -9.055 3.050
120 HA HIS 77 HA HIS 77 -5.268 -11.272 2.418
121 1HB HIS 77 HB2 HIS 77 -4.558 -9.763 4.260
122 2HB HIS 77 HB3 HIS 77 -6.027 -10.179 5.137
123 HD1 HIS 77 HD1 HIS 77 -4.374 -11.056 7.028
124 HD2 HIS 77 HD2 HIS 77 -4.326 -13.192 3.465
125 HE1 HIS 77 HE1 HIS 77 -3.236 -13.233 7.565
126 HE2 HIS 77 HE2 HIS 77 -3.295 -14.544 5.415
127 H GLY 78 H GLY 78 -8.446 -10.431 3.590
128 1HA GLY 78 HA2 GLY 78 -9.148 -13.293 3.516
129 2HA GLY 78 HA3 GLY 78 -9.666 -12.288 4.861
130 H GLY 79 H GLY 79 -9.544 -11.002 1.627
131 1HA GLY 79 HA2 GLY 79 -11.376 -11.033 0.055
132 2HA GLY 79 HA3 GLY 79 -12.469 -11.294 1.406
133 H GLY 80 H GLY 80 -10.798 -8.972 -0.514
134 1HA GLY 80 HA2 GLY 80 -10.970 -6.687 -0.664
135 2HA GLY 80 HA3 GLY 80 -12.533 -6.875 0.117
136 H TRP 81 H TRP 81 -11.703 -4.679 0.890
137 HA TRP 81 HA TRP 81 -10.609 -5.066 3.562
138 1HB TRP 81 HB2 TRP 81 -9.267 -2.807 2.948
139 2HB TRP 81 HB3 TRP 81 -8.565 -4.415 2.802
140 HD1 TRP 81 HD1 TRP 81 -9.044 -5.521 0.172
141 HE1 TRP 81 HE1 TRP 81 -8.648 -4.328 -2.068
142 HE3 TRP 81 HE3 TRP 81 -9.115 -0.682 1.815
143 HZ2 TRP 81 HZ2 TRP 81 -8.390 -1.680 -3.016
144 HZ3 TRP 81 HZ3 TRP 81 -8.783 1.123 0.177
145 HH2 TRP 81 HH2 TRP 81 -8.427 0.633 -2.189
146 H GLY 82 H GLY 82 -11.073 -2.148 1.617
147 1HA GLY 82 HA2 GLY 82 -13.029 -1.237 3.622
148 2HA GLY 82 HA3 GLY 82 -12.050 -0.181 2.615
149 H GLN 83 H GLN 83 -12.682 -2.082 0.295
150 HA GLN 83 HA GLN 83 -14.735 -0.580 -0.857
151 1HB GLN 83 HB2 GLN 83 -14.750 -2.233 -2.629
152 2HB GLN 83 HB3 GLN 83 -13.093 -1.912 -2.138
153 1HG GLN 83 HG2 GLN 83 -13.354 -3.975 -0.635
154 2HG GLN 83 HG3 GLN 83 -14.768 -4.336 -1.624
155 1HE2 GLN 83 HE21 GLN 83 -13.361 -6.282 -1.990
156 2HE2 GLN 83 HE22 GLN 83 -12.269 -6.217 -3.327
157 HA PRO 84 HA PRO 84 -18.510 -2.204 0.722
158 1HB PRO 84 HB2 PRO 84 -20.067 -2.242 -1.530
159 2HB PRO 84 HB3 PRO 84 -19.699 -0.781 -0.611
160 1HG PRO 84 HG2 PRO 84 -18.441 -1.808 -3.120
161 2HG PRO 84 HG3 PRO 84 -18.882 -0.145 -2.685
162 1HD PRO 84 HD2 PRO 84 -16.342 -1.035 -2.544
163 2HD PRO 84 HD3 PRO 84 -16.990 0.151 -1.391
164 H HIS 85 H HIS 85 -19.938 -4.029 0.678
165 HA HIS 85 HA HIS 85 -18.879 -6.307 -0.864
166 1HB HIS 85 HB2 HIS 85 -20.275 -6.517 1.801
167 2HB HIS 85 HB3 HIS 85 -19.364 -7.763 0.956
168 HD1 HIS 85 HD1 HIS 85 -17.175 -8.157 2.014
169 HD2 HIS 85 HD2 HIS 85 -18.347 -4.185 2.352
170 HE1 HIS 85 HE1 HIS 85 -15.325 -7.015 3.278
171 HE2 HIS 85 HE2 HIS 85 -16.015 -4.595 3.393
172 H GLY 86 H GLY 86 -20.244 -6.622 -2.501
173 1HA GLY 86 HA2 GLY 86 -22.232 -7.598 -3.331
174 2HA GLY 86 HA3 GLY 86 -23.058 -7.106 -1.860
175 H GLY 87 H GLY 87 -21.898 -4.355 -2.097
176 1HA GLY 87 HA2 GLY 87 -22.293 -2.888 -4.268
177 2HA GLY 87 HA3 GLY 87 -23.952 -3.333 -3.900
178 H GLY 88 H GLY 88 -21.207 -1.422 -2.950
179 1HA GLY 88 HA2 GLY 88 -21.011 0.384 -1.543
180 2HA GLY 88 HA3 GLY 88 -22.744 0.588 -1.762
181 H TRP 89 H TRP 89 -22.817 1.314 0.429
182 HA TRP 89 HA TRP 89 -23.079 -0.909 2.307
183 1HB TRP 89 HB2 TRP 89 -22.064 0.965 3.988
184 2HB TRP 89 HB3 TRP 89 -21.103 -0.309 3.247
185 HD1 TRP 89 HD1 TRP 89 -20.102 0.558 0.659
186 HE1 TRP 89 HE1 TRP 89 -18.873 2.761 0.188
187 HE3 TRP 89 HE3 TRP 89 -21.690 3.239 4.707
188 HZ2 TRP 89 HZ2 TRP 89 -18.602 5.309 1.384
189 HZ3 TRP 89 HZ3 TRP 89 -20.898 5.553 4.973
190 HH2 TRP 89 HH2 TRP 89 -19.384 6.565 3.344
191 H GLY 90 H GLY 90 -23.130 2.593 2.792
192 1HA GLY 90 HA2 GLY 90 -26.044 2.442 3.198
193 2HA GLY 90 HA3 GLY 90 -25.020 3.184 4.417
194 H GLN 91 H GLN 91 -24.016 3.643 1.175
195 HA GLN 91 HA GLN 91 -24.162 6.435 1.315
196 1HB GLN 91 HB2 GLN 91 -23.842 6.284 -1.218
197 2HB GLN 91 HB3 GLN 91 -22.605 5.550 -0.207
198 1HG GLN 91 HG2 GLN 91 -23.343 3.379 -0.688
199 2HG GLN 91 HG3 GLN 91 -24.877 3.955 -1.339
200 1HE2 GLN 91 HE21 GLN 91 -24.929 4.867 -3.403
201 2HE2 GLN 91 HE22 GLN 91 -23.653 4.618 -4.541
Start of MODEL 19
1 H TRP 57 H TRP 57 19.132 2.074 -11.448
2 HA TRP 57 HA TRP 57 16.311 2.880 -11.606
3 1HB TRP 57 HB2 TRP 57 16.712 0.389 -11.797
4 2HB TRP 57 HB3 TRP 57 17.470 0.462 -10.210
5 HD1 TRP 57 HD1 TRP 57 15.826 -0.506 -8.511
6 HE1 TRP 57 HE1 TRP 57 13.306 -0.276 -8.039
7 HE3 TRP 57 HE3 TRP 57 14.534 2.501 -12.439
8 HZ2 TRP 57 HZ2 TRP 57 11.067 1.010 -9.181
9 HZ3 TRP 57 HZ3 TRP 57 12.183 3.186 -12.677
10 HH2 TRP 57 HH2 TRP 57 10.487 2.454 -11.080
11 H GLY 58 H GLY 58 15.502 3.646 -9.631
12 1HA GLY 58 HA2 GLY 58 17.353 5.091 -8.042
13 2HA GLY 58 HA3 GLY 58 15.636 4.910 -7.716
14 H GLN 59 H GLN 59 15.811 1.982 -7.665
15 HA GLN 59 HA GLN 59 15.953 0.347 -6.105
16 1HB GLN 59 HB2 GLN 59 18.108 -0.194 -5.305
17 2HB GLN 59 HB3 GLN 59 18.357 0.577 -6.863
18 1HG GLN 59 HG2 GLN 59 19.309 2.448 -5.940
19 2HG GLN 59 HG3 GLN 59 18.500 2.232 -4.389
20 1HE2 GLN 59 HE21 GLN 59 19.182 0.247 -3.171
21 2HE2 GLN 59 HE22 GLN 59 20.866 -0.137 -3.177
22 HA PRO 60 HA PRO 60 14.590 1.861 -2.211
23 1HB PRO 60 HB2 PRO 60 15.074 -0.247 -0.577
24 2HB PRO 60 HB3 PRO 60 13.788 -0.251 -1.788
25 1HG PRO 60 HG2 PRO 60 16.522 -1.460 -1.925
26 2HG PRO 60 HG3 PRO 60 14.970 -2.140 -2.449
27 1HD PRO 60 HD2 PRO 60 16.739 -1.023 -4.174
28 2HD PRO 60 HD3 PRO 60 14.985 -0.970 -4.432
29 H HIS 61 H HIS 61 15.336 2.987 -0.482
30 HA HIS 61 HA HIS 61 18.234 2.963 -0.046
31 1HB HIS 61 HB2 HIS 61 16.332 5.041 -0.290
32 2HB HIS 61 HB3 HIS 61 16.896 5.073 1.378
33 HD1 HIS 61 HD1 HIS 61 19.421 5.592 1.762
34 HD2 HIS 61 HD2 HIS 61 18.190 5.837 -2.199
35 HE1 HIS 61 HE1 HIS 61 21.277 6.783 0.553
36 HE2 HIS 61 HE2 HIS 61 20.549 6.839 -1.859
37 H GLY 62 H GLY 62 15.187 2.378 1.540
38 1HA GLY 62 HA2 GLY 62 16.681 1.596 3.965
39 2HA GLY 62 HA3 GLY 62 15.155 2.461 4.068
40 H GLY 63 H GLY 63 15.683 0.019 1.636
41 1HA GLY 63 HA2 GLY 63 15.112 -2.290 1.771
42 2HA GLY 63 HA3 GLY 63 14.192 -1.947 3.228
43 H GLY 64 H GLY 64 14.143 -2.120 -0.219
44 1HA GLY 64 HA2 GLY 64 12.423 -2.068 -1.739
45 2HA GLY 64 HA3 GLY 64 11.379 -2.483 -0.386
46 H TRP 65 H TRP 65 9.931 -1.120 -1.815
47 HA TRP 65 HA TRP 65 9.903 1.581 -0.729
48 1HB TRP 65 HB2 TRP 65 9.178 2.209 -3.250
49 2HB TRP 65 HB3 TRP 65 10.828 2.356 -2.659
50 HD1 TRP 65 HD1 TRP 65 12.303 -0.102 -3.087
51 HE1 TRP 65 HE1 TRP 65 12.413 -1.434 -5.279
52 HE3 TRP 65 HE3 TRP 65 8.073 1.688 -5.331
53 HZ2 TRP 65 HZ2 TRP 65 10.909 -1.690 -7.657
54 HZ3 TRP 65 HZ3 TRP 65 7.480 0.849 -7.567
55 HH2 TRP 65 HH2 TRP 65 8.870 -0.804 -8.704
56 H GLY 66 H GLY 66 8.127 0.153 -3.434
57 1HA GLY 66 HA2 GLY 66 5.665 0.427 -1.826
58 2HA GLY 66 HA3 GLY 66 5.732 0.627 -3.571
59 H GLN 67 H GLN 67 7.677 -1.924 -2.467
60 HA GLN 67 HA GLN 67 5.712 -3.851 -3.466
61 1HB GLN 67 HB2 GLN 67 7.576 -5.371 -3.757
62 2HB GLN 67 HB3 GLN 67 7.961 -3.824 -4.498
63 1HG GLN 67 HG2 GLN 67 9.180 -3.267 -2.341
64 2HG GLN 67 HG3 GLN 67 9.015 -4.975 -1.937
65 1HE2 GLN 67 HE21 GLN 67 11.481 -3.792 -2.170
66 2HE2 GLN 67 HE22 GLN 67 12.292 -4.416 -3.563
67 HA PRO 68 HA PRO 68 4.877 -5.603 0.487
68 1HB PRO 68 HB2 PRO 68 4.724 -8.265 -0.115
69 2HB PRO 68 HB3 PRO 68 3.450 -7.101 -0.490
70 1HG PRO 68 HG2 PRO 68 5.581 -8.216 -2.267
71 2HG PRO 68 HG3 PRO 68 3.867 -7.922 -2.619
72 1HD PRO 68 HD2 PRO 68 5.812 -6.244 -3.446
73 2HD PRO 68 HD3 PRO 68 4.199 -5.665 -2.982
74 H HIS 69 H HIS 69 5.791 -6.777 2.212
75 HA HIS 69 HA HIS 69 8.610 -7.515 1.792
76 1HB HIS 69 HB2 HIS 69 7.888 -5.588 3.395
77 2HB HIS 69 HB3 HIS 69 7.438 -6.896 4.484
78 HD1 HIS 69 HD1 HIS 69 9.223 -7.085 6.180
79 HD2 HIS 69 HD2 HIS 69 10.769 -6.423 2.381
80 HE1 HIS 69 HE1 HIS 69 11.722 -7.166 6.448
81 HE2 HIS 69 HE2 HIS 69 12.637 -6.680 4.151
82 H GLY 70 H GLY 70 5.538 -8.559 3.084
83 1HA GLY 70 HA2 GLY 70 6.700 -11.238 3.478
84 2HA GLY 70 HA3 GLY 70 5.658 -10.536 4.705
85 H GLY 71 H GLY 71 5.038 -9.983 1.325
86 1HA GLY 71 HA2 GLY 71 3.623 -11.365 -0.064
87 2HA GLY 71 HA3 GLY 71 2.878 -11.989 1.400
88 H GLY 72 H GLY 72 2.851 -9.511 -0.989
89 1HA GLY 72 HA2 GLY 72 1.343 -7.846 -1.462
90 2HA GLY 72 HA3 GLY 72 0.197 -8.775 -0.504
91 H TRP 73 H TRP 73 -0.438 -6.397 -0.178
92 HA TRP 73 HA TRP 73 0.638 -5.582 2.405
93 1HB TRP 73 HB2 TRP 73 0.384 -3.123 1.321
94 2HB TRP 73 HB3 TRP 73 1.905 -4.008 1.360
95 HD1 TRP 73 HD1 TRP 73 2.209 -5.649 -1.006
96 HE1 TRP 73 HE1 TRP 73 1.854 -4.883 -3.432
97 HE3 TRP 73 HE3 TRP 73 -0.730 -1.557 -0.139
98 HZ2 TRP 73 HZ2 TRP 73 0.511 -2.811 -4.804
99 HZ3 TRP 73 HZ3 TRP 73 -1.506 -0.235 -2.063
100 HH2 TRP 73 HH2 TRP 73 -0.897 -0.850 -4.347
101 H GLY 74 H GLY 74 -1.437 -3.871 0.109
102 1HA GLY 74 HA2 GLY 74 -3.579 -3.950 2.128
103 2HA GLY 74 HA3 GLY 74 -3.402 -2.715 0.891
104 H GLN 75 H GLN 75 -2.756 -4.991 -1.054
105 HA GLN 75 HA GLN 75 -5.295 -5.206 -2.209
106 1HB GLN 75 HB2 GLN 75 -4.303 -6.779 -3.748
107 2HB GLN 75 HB3 GLN 75 -3.149 -5.492 -3.426
108 1HG GLN 75 HG2 GLN 75 -2.148 -7.058 -1.682
109 2HG GLN 75 HG3 GLN 75 -3.114 -8.322 -2.442
110 1HE2 GLN 75 HE21 GLN 75 -2.721 -8.804 -4.668
111 2HE2 GLN 75 HE22 GLN 75 -1.165 -8.510 -5.360
112 HA PRO 76 HA PRO 76 -7.268 -8.509 -0.062
113 1HB PRO 76 HB2 PRO 76 -8.675 -9.703 -2.055
114 2HB PRO 76 HB3 PRO 76 -9.120 -8.138 -1.366
115 1HG PRO 76 HG2 PRO 76 -7.632 -8.740 -3.892
116 2HG PRO 76 HG3 PRO 76 -8.914 -7.549 -3.604
117 1HD PRO 76 HD2 PRO 76 -6.295 -6.875 -3.692
118 2HD PRO 76 HD3 PRO 76 -7.462 -6.028 -2.656
119 H HIS 77 H HIS 77 -6.819 -10.555 0.552
120 HA HIS 77 HA HIS 77 -4.843 -12.026 -1.012
121 1HB HIS 77 HB2 HIS 77 -4.504 -11.604 1.437
122 2HB HIS 77 HB3 HIS 77 -5.887 -12.645 1.757
123 HD1 HIS 77 HD1 HIS 77 -3.784 -13.867 3.120
124 HD2 HIS 77 HD2 HIS 77 -3.936 -14.252 -1.014
125 HE1 HIS 77 HE1 HIS 77 -2.344 -15.856 2.578
126 HE2 HIS 77 HE2 HIS 77 -2.522 -16.122 0.078
127 H GLY 78 H GLY 78 -8.153 -12.249 0.085
128 1HA GLY 78 HA2 GLY 78 -8.408 -14.775 -1.427
129 2HA GLY 78 HA3 GLY 78 -9.255 -14.506 0.089
130 H GLY 79 H GLY 79 -10.059 -11.836 -0.334
131 1HA GLY 79 HA2 GLY 79 -11.357 -11.448 -2.813
132 2HA GLY 79 HA3 GLY 79 -12.475 -12.198 -1.684
133 H GLY 80 H GLY 80 -10.824 -9.307 -2.583
134 1HA GLY 80 HA2 GLY 80 -11.090 -7.121 -1.931
135 2HA GLY 80 HA3 GLY 80 -12.652 -7.620 -1.297
136 H TRP 81 H TRP 81 -11.932 -5.833 0.234
137 HA TRP 81 HA TRP 81 -10.839 -7.110 2.611
138 1HB TRP 81 HB2 TRP 81 -9.570 -4.746 2.873
139 2HB TRP 81 HB3 TRP 81 -8.812 -6.173 2.174
140 HD1 TRP 81 HD1 TRP 81 -9.219 -6.274 -0.686
141 HE1 TRP 81 HE1 TRP 81 -8.844 -4.345 -2.339
142 HE3 TRP 81 HE3 TRP 81 -9.490 -2.351 2.579
143 HZ2 TRP 81 HZ2 TRP 81 -8.678 -1.526 -2.270
144 HZ3 TRP 81 HZ3 TRP 81 -9.210 -0.069 1.704
145 HH2 TRP 81 HH2 TRP 81 -8.812 0.333 -0.671
146 H GLY 82 H GLY 82 -11.394 -3.709 1.808
147 1HA GLY 82 HA2 GLY 82 -13.396 -3.624 3.968
148 2HA GLY 82 HA3 GLY 82 -12.448 -2.251 3.418
149 H GLN 83 H GLN 83 -12.980 -3.211 0.566
150 HA GLN 83 HA GLN 83 -15.102 -1.477 -0.006
151 1HB GLN 83 HB2 GLN 83 -14.995 -2.330 -2.266
152 2HB GLN 83 HB3 GLN 83 -13.362 -2.164 -1.634
153 1HG GLN 83 HG2 GLN 83 -13.481 -4.629 -1.069
154 2HG GLN 83 HG3 GLN 83 -14.947 -4.678 -2.048
155 1HE2 GLN 83 HE21 GLN 83 -12.930 -6.263 -2.786
156 2HE2 GLN 83 HE22 GLN 83 -12.155 -5.664 -4.209
157 HA PRO 84 HA PRO 84 -18.765 -3.808 0.730
158 1HB PRO 84 HB2 PRO 84 -20.360 -2.997 -1.326
159 2HB PRO 84 HB3 PRO 84 -20.001 -1.990 0.081
160 1HG PRO 84 HG2 PRO 84 -18.768 -1.944 -2.644
161 2HG PRO 84 HG3 PRO 84 -19.257 -0.587 -1.614
162 1HD PRO 84 HD2 PRO 84 -16.686 -1.378 -1.828
163 2HD PRO 84 HD3 PRO 84 -17.350 -0.717 -0.319
164 H HIS 85 H HIS 85 -20.059 -5.553 -0.034
165 HA HIS 85 HA HIS 85 -18.738 -7.104 -2.136
166 1HB HIS 85 HB2 HIS 85 -20.524 -7.814 0.171
167 2HB HIS 85 HB3 HIS 85 -20.332 -8.932 -1.175
168 HD1 HIS 85 HD1 HIS 85 -18.942 -10.719 -0.105
169 HD2 HIS 85 HD2 HIS 85 -17.382 -6.916 0.502
170 HE1 HIS 85 HE1 HIS 85 -16.696 -11.077 0.967
171 HE2 HIS 85 HE2 HIS 85 -15.809 -8.760 1.404
172 H GLY 86 H GLY 86 -21.782 -5.595 -1.320
173 1HA GLY 86 HA2 GLY 86 -22.903 -6.561 -3.876
174 2HA GLY 86 HA3 GLY 86 -23.872 -6.129 -2.476
175 H GLY 87 H GLY 87 -22.199 -3.741 -1.936
176 1HA GLY 87 HA2 GLY 87 -22.058 -1.975 -4.068
177 2HA GLY 87 HA3 GLY 87 -23.707 -1.884 -3.470
178 H GLY 88 H GLY 88 -22.971 -2.375 -0.697
179 1HA GLY 88 HA2 GLY 88 -21.164 -0.233 0.039
180 2HA GLY 88 HA3 GLY 88 -22.857 0.095 0.375
181 H TRP 89 H TRP 89 -22.140 0.236 2.607
182 HA TRP 89 HA TRP 89 -22.337 -2.357 3.915
183 1HB TRP 89 HB2 TRP 89 -20.430 -1.303 5.507
184 2HB TRP 89 HB3 TRP 89 -20.079 -2.398 4.175
185 HD1 TRP 89 HD1 TRP 89 -19.627 -0.948 1.719
186 HE1 TRP 89 HE1 TRP 89 -18.105 1.100 1.423
187 HE3 TRP 89 HE3 TRP 89 -19.402 0.599 6.585
188 HZ2 TRP 89 HZ2 TRP 89 -16.951 3.108 3.042
189 HZ3 TRP 89 HZ3 TRP 89 -18.066 2.591 7.128
190 HH2 TRP 89 HH2 TRP 89 -16.865 3.819 5.392
191 H GLY 90 H GLY 90 -21.341 0.809 5.136
192 1HA GLY 90 HA2 GLY 90 -23.938 1.031 6.512
193 2HA GLY 90 HA3 GLY 90 -22.438 1.228 7.407
194 H GLN 91 H GLN 91 -22.419 2.401 4.186
195 HA GLN 91 HA GLN 91 -22.056 5.097 5.110
196 1HB GLN 91 HB2 GLN 91 -21.865 5.586 2.635
197 2HB GLN 91 HB3 GLN 91 -20.699 4.438 3.279
198 1HG GLN 91 HG2 GLN 91 -21.798 2.607 2.298
199 2HG GLN 91 HG3 GLN 91 -23.243 3.559 1.955
200 1HE2 GLN 91 HE21 GLN 91 -21.128 2.000 0.344
201 2HE2 GLN 91 HE22 GLN 91 -20.762 3.071 -0.961
Start of MODEL 20
1 H TRP 57 H TRP 57 18.411 2.051 -3.753
2 HA TRP 57 HA TRP 57 20.413 1.294 -4.593
3 1HB TRP 57 HB2 TRP 57 21.202 0.355 -2.435
4 2HB TRP 57 HB3 TRP 57 20.130 -1.022 -2.662
5 HD1 TRP 57 HD1 TRP 57 21.597 -3.032 -3.247
6 HE1 TRP 57 HE1 TRP 57 23.558 -3.481 -4.851
7 HE3 TRP 57 HE3 TRP 57 22.293 1.710 -5.029
8 HZ2 TRP 57 HZ2 TRP 57 25.186 -2.020 -6.635
9 HZ3 TRP 57 HZ3 TRP 57 24.074 2.099 -6.681
10 HH2 TRP 57 HH2 TRP 57 25.491 0.272 -7.466
11 H GLY 58 H GLY 58 20.652 -0.312 -6.273
12 1HA GLY 58 HA2 GLY 58 18.281 -0.940 -7.592
13 2HA GLY 58 HA3 GLY 58 19.845 -1.658 -7.948
14 H GLN 59 H GLN 59 20.015 -2.744 -5.170
15 HA GLN 59 HA GLN 59 17.935 -4.814 -5.314
16 1HB GLN 59 HB2 GLN 59 19.546 -6.571 -4.946
17 2HB GLN 59 HB3 GLN 59 20.027 -5.650 -6.365
18 1HG GLN 59 HG2 GLN 59 21.698 -4.470 -5.061
19 2HG GLN 59 HG3 GLN 59 21.189 -5.328 -3.607
20 1HE2 GLN 59 HE21 GLN 59 20.981 -7.862 -4.297
21 2HE2 GLN 59 HE22 GLN 59 22.472 -8.491 -4.903
22 HA PRO 60 HA PRO 60 17.501 -4.226 -0.970
23 1HB PRO 60 HB2 PRO 60 16.916 -6.750 -0.125
24 2HB PRO 60 HB3 PRO 60 15.764 -5.722 -0.983
25 1HG PRO 60 HG2 PRO 60 17.487 -7.930 -2.038
26 2HG PRO 60 HG3 PRO 60 15.789 -7.566 -2.398
27 1HD PRO 60 HD2 PRO 60 17.793 -6.885 -4.073
28 2HD PRO 60 HD3 PRO 60 16.335 -5.889 -3.890
29 H HIS 61 H HIS 61 18.604 -4.399 0.966
30 HA HIS 61 HA HIS 61 21.217 -5.706 0.795
31 1HB HIS 61 HB2 HIS 61 21.069 -3.274 1.376
32 2HB HIS 61 HB3 HIS 61 20.236 -3.726 2.859
33 HD1 HIS 61 HD1 HIS 61 23.501 -2.961 1.645
34 HD2 HIS 61 HD2 HIS 61 21.969 -5.605 4.460
35 HE1 HIS 61 HE1 HIS 61 25.445 -3.576 3.115
36 HE2 HIS 61 HE2 HIS 61 24.512 -5.244 4.758
37 H GLY 62 H GLY 62 18.227 -5.744 2.597
38 1HA GLY 62 HA2 GLY 62 19.325 -7.886 4.308
39 2HA GLY 62 HA3 GLY 62 18.010 -6.821 4.782
40 H GLY 63 H GLY 63 16.785 -7.023 2.076
41 1HA GLY 63 HA2 GLY 63 16.185 -9.683 1.425
42 2HA GLY 63 HA3 GLY 63 15.005 -9.139 2.606
43 H GLY 64 H GLY 64 14.451 -6.606 1.930
44 1HA GLY 64 HA2 GLY 64 13.898 -6.521 -0.943
45 2HA GLY 64 HA3 GLY 64 12.514 -6.542 0.143
46 H TRP 65 H TRP 65 11.950 -4.490 -0.795
47 HA TRP 65 HA TRP 65 13.185 -2.286 0.648
48 1HB TRP 65 HB2 TRP 65 12.899 -1.035 -1.727
49 2HB TRP 65 HB3 TRP 65 14.410 -1.764 -1.197
50 HD1 TRP 65 HD1 TRP 65 14.590 -4.523 -2.033
51 HE1 TRP 65 HE1 TRP 65 14.106 -5.431 -4.387
52 HE3 TRP 65 HE3 TRP 65 11.698 -0.694 -3.795
53 HZ2 TRP 65 HZ2 TRP 65 12.691 -4.627 -6.695
54 HZ3 TRP 65 HZ3 TRP 65 10.819 -0.840 -6.088
55 HH2 TRP 65 HH2 TRP 65 11.307 -2.766 -7.507
56 H GLY 66 H GLY 66 11.003 -2.327 -2.135
57 1HA GLY 66 HA2 GLY 66 8.948 -1.092 -0.416
58 2HA GLY 66 HA3 GLY 66 9.110 -0.803 -2.142
59 H GLN 67 H GLN 67 9.649 -3.799 -2.434
60 HA GLN 67 HA GLN 67 7.057 -4.551 -3.194
61 1HB GLN 67 HB2 GLN 67 7.990 -6.788 -3.525
62 2HB GLN 67 HB3 GLN 67 9.073 -5.556 -4.158
63 1HG GLN 67 HG2 GLN 67 10.361 -5.726 -2.013
64 2HG GLN 67 HG3 GLN 67 9.365 -7.125 -1.613
65 1HE2 GLN 67 HE21 GLN 67 11.779 -5.856 -3.791
66 2HE2 GLN 67 HE22 GLN 67 12.319 -7.381 -4.396
67 HA PRO 68 HA PRO 68 4.991 -5.974 0.417
68 1HB PRO 68 HB2 PRO 68 4.010 -8.411 -0.486
69 2HB PRO 68 HB3 PRO 68 3.237 -6.845 -0.736
70 1HG PRO 68 HG2 PRO 68 4.958 -8.429 -2.587
71 2HG PRO 68 HG3 PRO 68 3.525 -7.447 -2.946
72 1HD PRO 68 HD2 PRO 68 6.003 -6.565 -3.478
73 2HD PRO 68 HD3 PRO 68 4.724 -5.465 -2.923
74 H HIS 69 H HIS 69 5.232 -7.344 2.178
75 HA HIS 69 HA HIS 69 7.303 -9.423 1.946
76 1HB HIS 69 HB2 HIS 69 8.133 -7.283 3.010
77 2HB HIS 69 HB3 HIS 69 7.008 -7.592 4.328
78 HD1 HIS 69 HD1 HIS 69 9.260 -7.656 5.794
79 HD2 HIS 69 HD2 HIS 69 8.717 -10.792 3.123
80 HE1 HIS 69 HE1 HIS 69 10.849 -9.457 6.538
81 HE2 HIS 69 HE2 HIS 69 10.563 -11.311 4.857
82 H GLY 70 H GLY 70 4.153 -8.996 2.449
83 1HA GLY 70 HA2 GLY 70 3.984 -11.372 4.141
84 2HA GLY 70 HA3 GLY 70 3.154 -9.929 4.703
85 H GLY 71 H GLY 71 3.379 -10.588 1.297
86 1HA GLY 71 HA2 GLY 71 1.810 -11.708 -0.083
87 2HA GLY 71 HA3 GLY 71 0.686 -11.743 1.268
88 H GLY 72 H GLY 72 2.352 -8.793 0.505
89 1HA GLY 72 HA2 GLY 72 1.357 -7.281 -1.249
90 2HA GLY 72 HA3 GLY 72 -0.192 -7.710 -0.534
91 H TRP 73 H TRP 73 -0.433 -5.381 -0.307
92 HA TRP 73 HA TRP 73 0.590 -4.494 2.277
93 1HB TRP 73 HB2 TRP 73 0.784 -2.142 0.968
94 2HB TRP 73 HB3 TRP 73 2.146 -3.236 1.191
95 HD1 TRP 73 HD1 TRP 73 2.293 -5.142 -0.995
96 HE1 TRP 73 HE1 TRP 73 2.210 -4.570 -3.497
97 HE3 TRP 73 HE3 TRP 73 0.060 -0.554 -0.697
98 HZ2 TRP 73 HZ2 TRP 73 1.324 -2.445 -5.135
99 HZ3 TRP 73 HZ3 TRP 73 -0.368 0.685 -2.780
100 HH2 TRP 73 HH2 TRP 73 0.252 -0.242 -4.951
101 H GLY 74 H GLY 74 -1.044 -2.701 -0.294
102 1HA GLY 74 HA2 GLY 74 -3.351 -2.398 1.523
103 2HA GLY 74 HA3 GLY 74 -2.843 -1.186 0.357
104 H GLN 75 H GLN 75 -2.656 -4.392 -0.786
105 HA GLN 75 HA GLN 75 -5.102 -3.963 -2.361
106 1HB GLN 75 HB2 GLN 75 -4.130 -5.409 -4.044
107 2HB GLN 75 HB3 GLN 75 -2.989 -4.134 -3.638
108 1HG GLN 75 HG2 GLN 75 -1.883 -5.778 -2.084
109 2HG GLN 75 HG3 GLN 75 -2.902 -7.019 -2.811
110 1HE2 GLN 75 HE21 GLN 75 -1.015 -4.276 -4.048
111 2HE2 GLN 75 HE22 GLN 75 -0.149 -5.187 -5.233
112 HA PRO 76 HA PRO 76 -7.104 -7.426 -0.520
113 1HB PRO 76 HB2 PRO 76 -8.404 -8.513 -2.662
114 2HB PRO 76 HB3 PRO 76 -8.940 -7.048 -1.835
115 1HG PRO 76 HG2 PRO 76 -7.375 -7.331 -4.368
116 2HG PRO 76 HG3 PRO 76 -8.704 -6.218 -3.989
117 1HD PRO 76 HD2 PRO 76 -6.121 -5.437 -3.959
118 2HD PRO 76 HD3 PRO 76 -7.325 -4.764 -2.839
119 H HIS 77 H HIS 77 -6.831 -9.594 -0.144
120 HA HIS 77 HA HIS 77 -4.712 -10.896 -1.695
121 1HB HIS 77 HB2 HIS 77 -4.735 -10.599 0.915
122 2HB HIS 77 HB3 HIS 77 -5.796 -12.004 0.870
123 HD1 HIS 77 HD1 HIS 77 -3.762 -13.142 2.220
124 HD2 HIS 77 HD2 HIS 77 -3.042 -12.223 -1.769
125 HE1 HIS 77 HE1 HIS 77 -1.734 -14.482 1.576
126 HE2 HIS 77 HE2 HIS 77 -1.369 -13.977 -0.865
127 H GLY 78 H GLY 78 -8.056 -11.209 -0.738
128 1HA GLY 78 HA2 GLY 78 -8.228 -13.685 -2.344
129 2HA GLY 78 HA3 GLY 78 -9.238 -13.373 -0.939
130 H GLY 79 H GLY 79 -9.734 -10.592 -1.590
131 1HA GLY 79 HA2 GLY 79 -10.960 -10.533 -4.199
132 2HA GLY 79 HA3 GLY 79 -12.117 -10.688 -2.887
133 H GLY 80 H GLY 80 -11.647 -9.045 -1.028
134 1HA GLY 80 HA2 GLY 80 -10.819 -6.457 -2.161
135 2HA GLY 80 HA3 GLY 80 -12.409 -6.609 -1.428
136 H TRP 81 H TRP 81 -11.723 -4.919 0.015
137 HA TRP 81 HA TRP 81 -10.389 -6.005 2.368
138 1HB TRP 81 HB2 TRP 81 -9.269 -3.549 2.413
139 2HB TRP 81 HB3 TRP 81 -8.468 -4.963 1.737
140 HD1 TRP 81 HD1 TRP 81 -9.096 -5.259 -1.074
141 HE1 TRP 81 HE1 TRP 81 -8.969 -3.414 -2.855
142 HE3 TRP 81 HE3 TRP 81 -9.342 -1.174 1.986
143 HZ2 TRP 81 HZ2 TRP 81 -8.964 -0.590 -2.952
144 HZ3 TRP 81 HZ3 TRP 81 -9.267 1.066 0.969
145 HH2 TRP 81 HH2 TRP 81 -9.082 1.350 -1.449
146 H GLY 82 H GLY 82 -11.213 -2.686 1.465
147 1HA GLY 82 HA2 GLY 82 -13.033 -2.603 3.776
148 2HA GLY 82 HA3 GLY 82 -12.253 -1.207 3.046
149 H GLN 83 H GLN 83 -12.964 -2.399 0.328
150 HA GLN 83 HA GLN 83 -15.280 -0.885 -0.127
151 1HB GLN 83 HB2 GLN 83 -15.289 -1.839 -2.345
152 2HB GLN 83 HB3 GLN 83 -13.629 -1.505 -1.874
153 1HG GLN 83 HG2 GLN 83 -13.524 -3.956 -1.167
154 2HG GLN 83 HG3 GLN 83 -15.018 -4.151 -2.082
155 1HE2 GLN 83 HE21 GLN 83 -14.961 -4.142 -4.284
156 2HE2 GLN 83 HE22 GLN 83 -13.498 -4.109 -5.203
157 HA PRO 84 HA PRO 84 -18.628 -3.469 1.106
158 1HB PRO 84 HB2 PRO 84 -20.454 -2.931 -0.862
159 2HB PRO 84 HB3 PRO 84 -20.114 -1.848 0.489
160 1HG PRO 84 HG2 PRO 84 -19.105 -1.747 -2.321
161 2HG PRO 84 HG3 PRO 84 -19.640 -0.420 -1.273
162 1HD PRO 84 HD2 PRO 84 -17.030 -0.950 -1.695
163 2HD PRO 84 HD3 PRO 84 -17.628 -0.335 -0.140
164 H HIS 85 H HIS 85 -19.885 -5.331 0.508
165 HA HIS 85 HA HIS 85 -18.809 -6.759 -1.835
166 1HB HIS 85 HB2 HIS 85 -19.364 -8.854 -0.482
167 2HB HIS 85 HB3 HIS 85 -17.972 -7.912 0.046
168 HD1 HIS 85 HD1 HIS 85 -18.232 -6.568 2.272
169 HD2 HIS 85 HD2 HIS 85 -21.463 -9.003 1.329
170 HE1 HIS 85 HE1 HIS 85 -19.597 -6.718 4.378
171 HE2 HIS 85 HE2 HIS 85 -21.501 -8.266 3.808
172 H GLY 86 H GLY 86 -20.334 -6.668 -3.354
173 1HA GLY 86 HA2 GLY 86 -22.308 -7.546 -4.312
174 2HA GLY 86 HA3 GLY 86 -22.982 -7.726 -2.699
175 H GLY 87 H GLY 87 -22.121 -4.929 -2.024
176 1HA GLY 87 HA2 GLY 87 -22.940 -2.862 -3.457
177 2HA GLY 87 HA3 GLY 87 -24.488 -3.633 -3.140
178 H GLY 88 H GLY 88 -21.839 -1.830 -1.786
179 1HA GLY 88 HA2 GLY 88 -21.646 -0.625 0.162
180 2HA GLY 88 HA3 GLY 88 -23.404 -0.603 0.182
181 H TRP 89 H TRP 89 -23.265 -0.718 2.484
182 HA TRP 89 HA TRP 89 -23.063 -3.476 3.427
183 1HB TRP 89 HB2 TRP 89 -22.008 -2.214 5.582
184 2HB TRP 89 HB3 TRP 89 -21.039 -2.985 4.332
185 HD1 TRP 89 HD1 TRP 89 -20.483 -1.112 2.182
186 HE1 TRP 89 HE1 TRP 89 -19.552 1.262 2.463
187 HE3 TRP 89 HE3 TRP 89 -21.772 -0.321 7.062
188 HZ2 TRP 89 HZ2 TRP 89 -19.377 3.220 4.495
189 HZ3 TRP 89 HZ3 TRP 89 -21.184 1.831 8.102
190 HH2 TRP 89 HH2 TRP 89 -20.011 3.563 6.843
191 H GLY 90 H GLY 90 -23.367 -0.420 5.178
192 1HA GLY 90 HA2 GLY 90 -26.048 -1.300 6.050
193 2HA GLY 90 HA3 GLY 90 -24.952 -0.345 7.038
194 H GLN 91 H GLN 91 -24.278 1.211 4.484
195 HA GLN 91 HA GLN 91 -25.969 3.397 4.952
196 1HB GLN 91 HB2 GLN 91 -25.043 4.233 2.738
197 2HB GLN 91 HB3 GLN 91 -23.863 3.849 3.981
198 1HG GLN 91 HG2 GLN 91 -23.035 2.064 2.846
199 2HG GLN 91 HG3 GLN 91 -24.572 1.711 2.058
200 1HE2 GLN 91 HE21 GLN 91 -23.772 1.580 0.006
201 2HE2 GLN 91 HE22 GLN 91 -23.137 2.934 -0.858
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