NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
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16188 |
1zq3   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H5* G 69 1H5* G 69 7.037 -24.796 -7.941
2 2H5* G 69 2H5* G 69 8.518 -23.908 -8.513
3 H4* G 69 H4* G 69 6.858 -23.766 -10.231
4 H3* G 69 H3* G 69 7.983 -21.437 -9.572
5 H1* G 69 H1* G 69 4.068 -21.609 -9.838
6 H8 G 69 H8 G 69 5.206 -21.885 -6.303
7 H1 G 69 H1 G 69 -1.085 -21.902 -6.979
8 1H2 G 69 1H2 G 69 -0.103 -22.382 -10.239
9 2H2 G 69 2H2 G 69 -1.558 -22.142 -9.227
10 H5T G 69 H5T G 69 8.243 -22.271 -7.259
11 1H2* G 69 1H2* G 69 6.313 -20.714 -7.923
12 2H2* G 69 2H2* G 69 5.647 -20.033 -9.386
13 1H5* C 70 1H5* C 70 4.657 -21.590 -12.682
14 2H5* C 70 2H5* C 70 5.232 -20.914 -14.184
15 H4* C 70 H4* C 70 3.015 -20.621 -14.372
16 H3* C 70 H3* C 70 4.427 -18.248 -14.420
17 H1* C 70 H1* C 70 0.955 -18.894 -12.303
18 1H4 C 70 1H4 C 70 2.777 -18.518 -6.032
19 2H4 C 70 2H4 C 70 1.054 -18.050 -6.230
20 H5 C 70 H5 C 70 4.201 -18.488 -7.979
21 H6 C 70 H6 C 70 4.138 -18.951 -10.445
22 1H2* C 70 1H2* C 70 3.763 -17.553 -12.120
23 2H2* C 70 2H2* C 70 2.262 -17.060 -12.859
24 1H5* T 71 1H5* T 71 -0.094 -18.372 -14.447
25 2H5* T 71 2H5* T 71 -0.795 -17.494 -15.684
26 H4* T 71 H4* T 71 -2.262 -17.112 -14.007
27 H3* T 71 H3* T 71 -1.048 -14.859 -15.022
28 1H2* T 71 1H2* T 71 0.369 -14.526 -13.079
29 2H2* T 71 2H2* T 71 -1.193 -13.694 -12.581
30 H1* T 71 H1* T 71 -2.073 -15.508 -11.598
31 H3 T 71 H3 T 71 -0.305 -15.377 -7.200
32 1H5M T 71 1H5M T 71 3.813 -15.772 -10.550
33 2H5M T 71 2H5M T 71 3.794 -14.156 -9.721
34 3H5M T 71 3H5M T 71 4.022 -15.685 -8.796
35 H6 T 71 H6 T 71 1.693 -15.569 -11.547
36 1H5* C 72 1H5* C 72 -4.767 -14.462 -12.114
37 2H5* C 72 2H5* C 72 -5.715 -13.260 -13.049
38 H4* C 72 H4* C 72 -6.243 -13.097 -10.630
39 H3* C 72 H3* C 72 -5.622 -10.942 -12.115
40 H1* C 72 H1* C 72 -4.257 -11.367 -8.703
41 1H4 C 72 1H4 C 72 2.443 -12.017 -8.790
42 2H4 C 72 2H4 C 72 1.981 -12.003 -7.159
43 H5 C 72 H5 C 72 0.914 -12.218 -10.648
44 H6 C 72 H6 C 72 -1.440 -11.835 -11.338
45 1H2* C 72 1H2* C 72 -3.346 -10.786 -11.606
46 2H2* C 72 2H2* C 72 -3.989 -9.653 -10.399
47 1H5* T 73 1H5* T 73 -5.675 -9.536 -7.829
48 2H5* T 73 2H5* T 73 -6.911 -8.421 -7.550
49 H4* T 73 H4* T 73 -5.104 -7.358 -6.510
50 H3* T 73 H3* T 73 -5.633 -6.072 -8.891
51 1H2* T 73 1H2* T 73 -3.862 -6.720 -9.839
52 2H2* T 73 2H2* T 73 -3.248 -5.198 -9.083
53 H1* T 73 H1* T 73 -2.311 -6.348 -7.228
54 H3 T 73 H3 T 73 1.298 -8.969 -7.483
55 1H5M T 73 1H5M T 73 1.279 -7.676 -12.194
56 2H5M T 73 2H5M T 73 0.297 -9.171 -12.272
57 3H5M T 73 3H5M T 73 -0.595 -7.808 -12.458
58 H6 T 73 H6 T 73 -1.810 -7.113 -10.593
59 1H5* A 74 1H5* A 74 -6.093 -6.407 -5.068
60 2H5* A 74 2H5* A 74 -7.056 -5.589 -3.786
61 H4* A 74 H4* A 74 -5.252 -6.474 -2.684
62 H3* A 74 H3* A 74 -5.985 -3.876 -2.610
63 H1* A 74 H1* A 74 -2.349 -5.163 -2.753
64 H8 A 74 H8 A 74 -3.340 -3.477 -6.200
65 1H6 A 74 1H6 A 74 2.397 -5.427 -7.851
66 2H6 A 74 2H6 A 74 0.933 -4.519 -8.370
67 H2 A 74 H2 A 74 1.647 -6.704 -3.838
68 1H2* A 74 1H2* A 74 -4.240 -3.081 -4.035
69 2H2* A 74 2H2* A 74 -3.451 -2.859 -2.460
70 1H5* A 75 1H5* A 75 -2.976 -5.472 0.432
71 2H5* A 75 2H5* A 75 -2.648 -4.486 1.891
72 H4* A 75 H4* A 75 -0.689 -5.438 0.737
73 H3* A 75 H3* A 75 -0.895 -2.712 1.732
74 H1* A 75 H1* A 75 1.233 -4.283 -0.990
75 H8 A 75 H8 A 75 -1.286 -1.754 -2.513
76 1H6 A 75 1H6 A 75 2.819 -1.978 -7.202
77 2H6 A 75 2H6 A 75 1.149 -1.373 -6.839
78 H2 A 75 H2 A 75 4.645 -3.741 -3.930
79 1H2* A 75 1H2* A 75 -0.097 -1.659 -0.134
80 2H2* A 75 2H2* A 75 1.525 -2.405 0.221
81 1H5* T 76 1H5* T 76 3.422 -4.617 1.192
82 2H5* T 76 2H5* T 76 4.283 -4.568 2.715
83 H4* T 76 H4* T 76 5.948 -4.365 1.085
84 H3* T 76 H3* T 76 5.661 -2.174 2.742
85 1H2* T 76 1H2* T 76 5.421 -0.424 1.048
86 2H2* T 76 2H2* T 76 6.997 -0.819 0.499
87 H1* T 76 H1* T 76 6.557 -2.316 -1.046
88 H3 T 76 H3 T 76 5.047 0.108 -4.400
89 1H5M T 76 1H5M T 76 0.768 0.266 -1.879
90 2H5M T 76 2H5M T 76 1.574 0.840 -0.435
91 3H5M T 76 3H5M T 76 1.691 1.874 -1.833
92 H6 T 76 H6 T 76 3.283 -0.740 -0.062
93 1H5* C 77 1H5* C 77 10.127 -2.743 0.811
94 2H5* C 77 2H5* C 77 11.251 -2.050 1.908
95 H4* C 77 H4* C 77 11.810 -1.391 -0.252
96 H3* C 77 H3* C 77 11.850 0.252 1.938
97 H1* C 77 H1* C 77 10.722 1.296 -1.495
98 1H4 C 77 1H4 C 77 4.281 3.137 -1.377
99 2H4 C 77 2H4 C 77 4.705 3.095 -3.062
100 H5 C 77 H5 C 77 5.678 2.169 0.440
101 H6 C 77 H6 C 77 7.844 1.199 0.920
102 1H2* C 77 1H2* C 77 9.767 1.474 1.307
103 2H2* C 77 2H2* C 77 11.064 2.450 0.456
104 1H5* C 78 1H5* C 78 14.288 2.169 -1.741
105 2H5* C 78 2H5* C 78 15.562 3.106 -1.106
106 H4* C 78 H4* C 78 14.684 4.006 -3.173
107 H3* C 78 H3* C 78 14.825 5.820 -1.117
108 H1* C 78 H1* C 78 11.933 5.626 -3.660
109 1H4 C 78 1H4 C 78 7.035 4.968 0.915
110 2H4 C 78 2H4 C 78 6.346 5.408 -0.683
111 H5 C 78 H5 C 78 9.360 4.520 1.172
112 H6 C 78 H6 C 78 11.529 4.542 -0.020
113 1H2* C 78 1H2* C 78 12.591 6.559 -0.869
114 2H2* C 78 2H2* C 78 12.858 7.319 -2.432
115 1H5* C 79 1H5* C 79 14.114 7.219 -5.325
116 2H5* C 79 2H5* C 79 15.160 8.674 -5.658
117 H4* C 79 H4* C 79 13.044 8.763 -6.814
118 H3* C 79 H3* C 79 14.040 10.917 -5.336
119 H1* C 79 H1* C 79 10.483 10.222 -5.737
120 1H4 C 79 1H4 C 79 7.560 7.784 -0.375
121 2H4 C 79 2H4 C 79 6.346 8.677 -1.407
122 H5 C 79 H5 C 79 9.820 7.960 -0.845
123 H6 C 79 H6 C 79 11.434 8.658 -2.511
124 1H2* C 79 1H2* C 79 12.477 10.587 -3.515
125 2H2* C 79 2H2* C 79 11.643 11.850 -4.501
126 1H5* C 80 1H5* C 80 9.966 11.724 -8.011
127 2H5* C 80 2H5* C 80 10.810 12.804 -9.196
128 H4* C 80 H4* C 80 8.475 13.476 -9.241
129 H3* C 80 H3* C 80 10.368 15.401 -8.496
130 H1* C 80 H1* C 80 7.109 14.969 -6.447
131 1H4 C 80 1H4 C 80 8.537 12.208 -0.569
132 2H4 C 80 2H4 C 80 6.866 12.293 -0.792
133 H5 C 80 H5 C 80 10.172 12.787 -2.564
134 H6 C 80 H6 C 80 10.178 13.731 -4.800
135 1H2* C 80 1H2* C 80 10.068 15.150 -6.242
136 2H2* C 80 2H2* C 80 8.848 16.410 -6.616
137 1H5* G 81 1H5* G 81 5.870 17.032 -8.632
138 2H5* G 81 2H5* G 81 6.025 18.655 -9.272
139 H4* G 81 H4* G 81 4.709 18.585 -7.035
140 H3* G 81 H3* G 81 7.156 20.169 -7.597
141 H1* G 81 H1* G 81 5.452 18.760 -4.682
142 H8 G 81 H8 G 81 8.993 17.776 -4.508
143 H1 G 81 H1 G 81 5.301 15.665 0.280
144 1H2 G 81 1H2 G 81 2.732 16.973 -1.650
145 2H2 G 81 2H2 G 81 3.271 16.181 -0.176
146 H3T G 81 H3T G 81 5.409 21.397 -7.222
147 1H2* G 81 1H2* G 81 8.318 18.989 -5.954
148 2H2* G 81 2H2* G 81 7.546 20.168 -4.849
149 1H5* C 82 1H5* C 82 1.087 15.972 6.699
150 2H5* C 82 2H5* C 82 -0.238 15.071 7.273
151 H4* C 82 H4* C 82 -0.198 14.682 4.912
152 H3* C 82 H3* C 82 0.791 12.164 6.167
153 H1* C 82 H1* C 82 1.421 14.108 2.673
154 1H4 C 82 1H4 C 82 7.788 12.900 2.390
155 2H4 C 82 2H4 C 82 7.357 14.095 1.183
156 H5 C 82 H5 C 82 6.232 12.536 4.333
157 H6 C 82 H6 C 82 3.889 12.511 4.892
158 H5T C 82 H5T C 82 2.583 14.303 7.412
159 1H2* C 82 1H2* C 82 2.083 11.734 4.270
160 2H2* C 82 2H2* C 82 0.695 11.995 3.236
161 1H5* G 83 1H5* G 83 -2.676 12.930 2.956
162 2H5* G 83 2H5* G 83 -3.742 11.514 2.831
163 H4* G 83 H4* G 83 -3.075 12.884 0.734
164 H3* G 83 H3* G 83 -3.565 10.237 0.631
165 H1* G 83 H1* G 83 -0.665 11.791 -1.117
166 H8 G 83 H8 G 83 0.764 10.177 1.843
167 H1 G 83 H1 G 83 5.316 12.826 -1.792
168 1H2 G 83 1H2 G 83 2.680 14.206 -3.419
169 2H2 G 83 2H2 G 83 4.359 13.723 -3.480
170 1H2* G 83 1H2* G 83 -1.053 9.790 1.120
171 2H2* G 83 2H2* G 83 -1.241 9.399 -0.603
172 1H5* G 84 1H5* G 84 -2.279 12.390 -3.217
173 2H5* G 84 2H5* G 84 -3.663 12.381 -4.408
174 H4* G 84 H4* G 84 -1.775 12.919 -5.783
175 H3* G 84 H3* G 84 -2.799 10.504 -6.371
176 H1* G 84 H1* G 84 0.967 10.998 -6.077
177 H8 G 84 H8 G 84 -0.499 9.493 -2.875
178 H1 G 84 H1 G 84 5.921 9.755 -3.338
179 1H2 G 84 1H2 G 84 5.145 11.098 -6.374
180 2H2 G 84 2H2 G 84 6.428 10.525 -5.418
181 1H2* G 84 1H2* G 84 -1.349 9.339 -4.894
182 2H2* G 84 2H2* G 84 -0.480 8.942 -6.287
183 1H5* G 85 1H5* G 85 1.751 10.868 -8.491
184 2H5* G 85 2H5* G 85 1.466 10.232 -10.068
185 H4* G 85 H4* G 85 3.125 9.097 -9.437
186 H3* G 85 H3* G 85 0.757 7.721 -9.760
187 H1* G 85 H1* G 85 3.415 6.720 -7.749
188 H8 G 85 H8 G 85 0.812 6.565 -5.073
189 H1 G 85 H1 G 85 6.855 6.026 -2.977
190 1H2 G 85 1H2 G 85 7.541 6.980 -6.143
191 2H2 G 85 2H2 G 85 8.119 5.780 -4.940
192 1H2* G 85 1H2* G 85 0.522 7.240 -7.321
193 2H2* G 85 2H2* G 85 1.248 5.698 -8.074
194 1H5* G 86 1H5* G 86 5.400 8.035 -10.874
195 2H5* G 86 2H5* G 86 5.432 8.187 -12.624
196 H4* G 86 H4* G 86 7.529 7.183 -12.140
197 H3* G 86 H3* G 86 6.017 5.391 -13.623
198 H1* G 86 H1* G 86 7.592 4.145 -10.366
199 H8 G 86 H8 G 86 3.863 4.871 -10.171
200 H1 G 86 H1 G 86 6.852 2.649 -4.895
201 1H2 G 86 1H2 G 86 9.711 2.907 -6.724
202 2H2 G 86 2H2 G 86 8.971 2.464 -5.238
203 1H2* G 86 1H2* G 86 5.028 4.047 -12.060
204 2H2* G 86 2H2* G 86 6.644 3.180 -12.205
205 1H5* A 87 1H5* A 87 9.696 3.724 -11.942
206 2H5* A 87 2H5* A 87 10.728 3.024 -13.110
207 H4* A 87 H4* A 87 10.975 1.676 -11.345
208 H3* A 87 H3* A 87 9.850 0.343 -13.525
209 H1* A 87 H1* A 87 9.024 -0.426 -10.119
210 H8 A 87 H8 A 87 5.770 0.976 -11.591
211 1H6 A 87 1H6 A 87 3.195 0.266 -5.937
212 2H6 A 87 2H6 A 87 2.859 0.733 -7.628
213 H2 A 87 H2 A 87 7.400 -0.811 -5.721
214 1H2* A 87 1H2* A 87 7.634 0.489 -12.597
215 2H2* A 87 2H2* A 87 8.203 -1.212 -12.130
216 1H5* T 88 1H5* T 88 11.614 -1.484 -9.603
217 2H5* T 88 2H5* T 88 12.461 -2.986 -10.023
218 H4* T 88 H4* T 88 11.368 -2.816 -7.724
219 H3* T 88 H3* T 88 11.387 -5.076 -9.652
220 1H2* T 88 1H2* T 88 9.036 -5.306 -9.607
221 2H2* T 88 2H2* T 88 9.240 -6.004 -7.937
222 H1* T 88 H1* T 88 8.935 -4.020 -6.972
223 H3 T 88 H3 T 88 4.459 -3.287 -6.726
224 1H5M T 88 1H5M T 88 5.919 -2.338 -11.620
225 2H5M T 88 2H5M T 88 5.094 -3.964 -11.839
226 3H5M T 88 3H5M T 88 4.208 -2.650 -11.091
227 H6 T 88 H6 T 88 7.458 -3.908 -10.449
228 1H5* T 89 1H5* T 89 10.641 -4.982 -5.320
229 2H5* T 89 2H5* T 89 11.840 -5.927 -4.515
230 H4* T 89 H4* T 89 10.233 -5.644 -3.006
231 H3* T 89 H3* T 89 11.008 -8.141 -3.643
232 1H2* T 89 1H2* T 89 9.087 -8.723 -5.090
233 2H2* T 89 2H2* T 89 8.516 -9.221 -3.564
234 H1* T 89 H1* T 89 7.332 -7.152 -3.030
235 H3 T 89 H3 T 89 3.721 -6.247 -5.580
236 1H5M T 89 1H5M T 89 7.727 -7.686 -8.963
237 2H5M T 89 2H5M T 89 6.026 -7.950 -9.372
238 3H5M T 89 3H5M T 89 6.575 -6.316 -9.446
239 H6 T 89 H6 T 89 8.238 -7.501 -6.681
240 1H5* A 90 1H5* A 90 7.367 -7.990 -0.303
241 2H5* A 90 2H5* A 90 7.961 -8.967 1.017
242 H4* A 90 H4* A 90 5.648 -9.219 0.855
243 H3* A 90 H3* A 90 7.098 -11.465 0.722
244 H1* A 90 H1* A 90 4.298 -10.813 -1.526
245 H8 A 90 H8 A 90 7.358 -11.001 -3.819
246 1H6 A 90 1H6 A 90 3.345 -9.580 -8.300
247 2H6 A 90 2H6 A 90 4.962 -10.131 -7.879
248 H2 A 90 H2 A 90 1.282 -9.191 -4.401
249 1H2* A 90 1H2* A 90 7.202 -11.571 -1.649
250 2H2* A 90 2H2* A 90 5.816 -12.667 -1.316
251 1H5* G 91 1H5* G 91 2.984 -11.292 2.679
252 2H5* G 91 2H5* G 91 2.691 -12.409 3.836
253 H4* G 91 H4* G 91 0.564 -11.253 2.709
254 H3* G 91 H3* G 91 0.997 -14.084 3.005
255 H1* G 91 H1* G 91 -0.368 -12.716 -0.248
256 H8 G 91 H8 G 91 3.456 -13.572 -0.433
257 H1 G 91 H1 G 91 0.348 -12.281 -5.963
258 1H2 G 91 1H2 G 91 -2.031 -11.178 -3.835
259 2H2 G 91 2H2 G 91 -1.598 -11.561 -5.480
260 1H2* G 91 1H2* G 91 1.635 -14.578 0.797
261 2H2* G 91 2H2* G 91 -0.131 -14.790 0.609
262 1H5* A 92 1H5* A 92 -3.202 -12.225 1.169
263 2H5* A 92 2H5* A 92 -4.269 -12.907 2.266
264 H4* A 92 H4* A 92 -5.515 -12.538 0.075
265 H3* A 92 H3* A 92 -5.846 -15.069 1.096
266 H1* A 92 H1* A 92 -4.661 -14.758 -2.642
267 H8 A 92 H8 A 92 -2.113 -15.979 -0.108
268 1H6 A 92 1H6 A 92 1.502 -15.847 -5.248
269 2H6 A 92 2H6 A 92 1.800 -16.600 -3.702
270 H2 A 92 H2 A 92 -1.971 -14.386 -6.349
271 1H2* A 92 1H2* A 92 -4.273 -16.115 -0.062
272 2H2* A 92 2H2* A 92 -5.522 -16.246 -1.292
273 1H5* G 93 1H5* G 93 -7.797 -14.478 -3.203
274 2H5* G 93 2H5* G 93 -9.325 -15.386 -3.195
275 H4* G 93 H4* G 93 -8.252 -15.590 -5.149
276 H3* G 93 H3* G 93 -9.104 -17.759 -3.669
277 H1* G 93 H1* G 93 -6.109 -17.360 -6.175
278 H8 G 93 H8 G 93 -5.205 -18.116 -2.681
279 H1 G 93 H1 G 93 -0.628 -19.077 -7.139
280 1H2 G 93 1H2 G 93 -3.379 -18.378 -9.144
281 2H2 G 93 2H2 G 93 -1.675 -18.859 -9.127
282 1H2* G 93 1H2* G 93 -7.099 -18.585 -3.586
283 2H2* G 93 2H2* G 93 -7.223 -19.286 -5.130
284 1H5* C 94 1H5* C 94 -8.351 -18.054 -8.157
285 2H5* C 94 2H5* C 94 -9.743 -18.390 -9.115
286 H4* C 94 H4* C 94 -7.745 -18.951 -10.357
287 H3* C 94 H3* C 94 -9.156 -21.294 -9.230
288 H1* C 94 H1* C 94 -5.328 -20.758 -9.950
289 1H4 C 94 1H4 C 94 -3.249 -22.069 -3.996
290 2H4 C 94 2H4 C 94 -1.940 -22.430 -5.051
291 H5 C 94 H5 C 94 -5.347 -21.311 -4.498
292 H6 C 94 H6 C 94 -6.727 -20.779 -6.470
293 H3T C 94 H3T C 94 -8.975 -20.560 -11.375
294 1H2* C 94 1H2* C 94 -7.453 -22.425 -8.366
295 2H2* C 94 2H2* C 94 -6.709 -22.648 -9.948
296 1H GLY 1 1H GLY 1 8.512 -5.113 2.390
297 2H GLY 1 2H GLY 1 8.603 -6.663 2.968
298 3H GLY 1 3H GLY 1 8.953 -5.424 3.993
299 1HA GLY 1 1HA GLY 1 6.680 -4.752 3.918
300 2HA GLY 1 2HA GLY 1 6.334 -6.171 2.814
301 HA PRO 2 HA PRO 2 7.692 -8.208 6.803
302 1HB PRO 2 1HB PRO 2 5.966 -6.753 8.655
303 2HB PRO 2 2HB PRO 2 7.648 -7.474 8.952
304 1HG PRO 2 1HG PRO 2 7.237 -4.843 8.705
305 2HG PRO 2 2HG PRO 2 8.674 -5.570 7.808
306 1HD PRO 2 1HD PRO 2 5.935 -4.729 6.840
307 2HD PRO 2 2HD PRO 2 7.426 -4.336 6.152
308 H ARG 3 H ARG 3 4.441 -7.117 6.326
309 HA ARG 3 HA ARG 3 3.256 -9.671 6.000
310 1HB ARG 3 1HB ARG 3 3.426 -9.322 8.486
311 2HB ARG 3 2HB ARG 3 1.993 -8.343 8.390
312 1HG ARG 3 1HG ARG 3 2.079 -11.057 7.299
313 2HG ARG 3 2HG ARG 3 1.356 -10.594 8.966
314 1HD ARG 3 1HD ARG 3 -0.259 -9.219 7.711
315 2HD ARG 3 2HD ARG 3 0.441 -9.923 6.267
316 HE ARG 3 HE ARG 3 -0.810 -11.668 8.290
317 1HH1 ARG 3 2HH1 ARG 3 -0.373 -10.601 4.886
318 2HH1 ARG 3 1HH1 ARG 3 -1.113 -12.106 4.386
319 1HH2 ARG 3 2HH2 ARG 3 -1.314 -13.597 7.295
320 2HH2 ARG 3 1HH2 ARG 3 -1.795 -13.702 5.663
321 H ARG 4 H ARG 4 3.178 -8.380 3.941
322 HA ARG 4 HA ARG 4 1.092 -6.373 3.534
323 1HB ARG 4 1HB ARG 4 1.404 -6.975 1.157
324 2HB ARG 4 2HB ARG 4 2.977 -6.880 1.870
325 1HG ARG 4 1HG ARG 4 3.256 -9.094 2.240
326 2HG ARG 4 2HG ARG 4 1.514 -9.467 1.890
327 1HD ARG 4 1HD ARG 4 3.069 -8.126 -0.245
328 2HD ARG 4 2HD ARG 4 3.503 -9.856 0.100
329 HE ARG 4 HE ARG 4 1.445 -10.538 -0.740
330 1HH1 ARG 4 2HH1 ARG 4 1.650 -7.040 -1.404
331 2HH1 ARG 4 1HH1 ARG 4 0.141 -7.098 -2.327
332 1HH2 ARG 4 2HH2 ARG 4 -0.332 -10.341 -1.828
333 2HH2 ARG 4 1HH2 ARG 4 -1.063 -8.881 -2.373
334 H THR 5 H THR 5 -0.743 -6.719 2.032
335 HA THR 5 HA THR 5 -2.953 -7.156 2.171
336 HB THR 5 HB THR 5 -3.372 -9.503 1.386
337 HG1 THR 5 HG1 THR 5 -1.537 -10.541 0.502
338 1HG2 THR 5 1HG2 THR 5 -1.699 -7.408 -0.044
339 2HG2 THR 5 2HG2 THR 5 -3.398 -7.557 0.097
340 3HG2 THR 5 3HG2 THR 5 -2.346 -8.825 -0.796
341 H ARG 6 H ARG 6 -2.191 -6.966 4.479
342 HA ARG 6 HA ARG 6 -3.334 -8.678 6.378
343 1HB ARG 6 1HB ARG 6 -3.181 -6.745 8.063
344 2HB ARG 6 2HB ARG 6 -1.748 -6.801 7.046
345 1HG ARG 6 1HG ARG 6 -2.483 -5.036 5.529
346 2HG ARG 6 2HG ARG 6 -4.063 -4.854 6.440
347 1HD ARG 6 1HD ARG 6 -2.744 -3.000 7.058
348 2HD ARG 6 2HD ARG 6 -2.745 -4.130 8.381
349 HE ARG 6 HE ARG 6 -0.389 -4.592 7.899
350 1HH1 ARG 6 2HH1 ARG 6 -1.920 -2.409 5.666
351 2HH1 ARG 6 1HH1 ARG 6 -0.488 -2.281 4.699
352 1HH2 ARG 6 2HH2 ARG 6 1.380 -4.118 6.833
353 2HH2 ARG 6 1HH2 ARG 6 1.389 -2.940 5.518
354 H THR 7 H THR 7 -4.892 -7.679 3.949
355 HA THR 7 HA THR 7 -7.586 -7.626 4.915
356 HB THR 7 HB THR 7 -6.242 -5.110 3.787
357 HG1 THR 7 HG1 THR 7 -6.598 -5.614 6.196
358 1HG2 THR 7 1HG2 THR 7 -8.532 -4.129 3.787
359 2HG2 THR 7 2HG2 THR 7 -9.288 -5.645 4.087
360 3HG2 THR 7 3HG2 THR 7 -8.346 -5.510 2.545
361 H THR 8 H THR 8 -8.848 -7.827 3.396
362 HA THR 8 HA THR 8 -8.036 -8.032 0.574
363 HB THR 8 HB THR 8 -8.925 -10.434 2.169
364 HG1 THR 8 HG1 THR 8 -6.686 -9.747 1.672
365 1HG2 THR 8 1HG2 THR 8 -9.141 -11.584 0.009
366 2HG2 THR 8 2HG2 THR 8 -9.059 -10.016 -0.853
367 3HG2 THR 8 3HG2 THR 8 -10.403 -10.464 0.349
368 H PHE 9 H PHE 9 -9.378 -6.874 -0.470
369 HA PHE 9 HA PHE 9 -12.018 -5.885 0.349
370 1HB PHE 9 1HB PHE 9 -10.592 -5.620 -2.455
371 2HB PHE 9 2HB PHE 9 -12.025 -4.810 -1.927
372 HD1 PHE 9 HD1 PHE 9 -9.971 -4.598 0.952
373 HD2 PHE 9 HD2 PHE 9 -10.189 -3.137 -3.153
374 HE1 PHE 9 HE1 PHE 9 -8.595 -2.471 1.460
375 HE2 PHE 9 HE2 PHE 9 -8.926 -1.118 -2.464
376 HZ PHE 9 HZ PHE 9 -8.197 -0.843 -0.187
377 H THR 10 H THR 10 -13.669 -5.749 -0.767
378 HA THR 10 HA THR 10 -14.484 -7.905 -2.633
379 HB THR 10 HB THR 10 -16.414 -8.502 -1.281
380 HG1 THR 10 HG1 THR 10 -16.685 -7.328 0.660
381 1HG2 THR 10 1HG2 THR 10 -14.782 -9.751 -0.439
382 2HG2 THR 10 2HG2 THR 10 -15.978 -9.046 0.760
383 3HG2 THR 10 3HG2 THR 10 -14.266 -8.437 0.687
384 H SER 11 H SER 11 -16.623 -7.308 -3.446
385 HA SER 11 HA SER 11 -16.942 -4.733 -4.761
386 1HB SER 11 1HB SER 11 -19.014 -6.759 -3.737
387 2HB SER 11 2HB SER 11 -19.325 -5.505 -4.933
388 HG SER 11 HG SER 11 -18.937 -6.882 -6.303
389 H SER 12 H SER 12 -18.217 -5.720 -1.429
390 HA SER 12 HA SER 12 -19.644 -3.406 -0.889
391 1HB SER 12 1HB SER 12 -18.268 -4.982 1.140
392 2HB SER 12 2HB SER 12 -19.679 -3.998 1.371
393 HG SER 12 HG SER 12 -20.323 -6.195 1.274
394 H GLN 13 H GLN 13 -16.102 -4.158 -0.172
395 HA GLN 13 HA GLN 13 -15.627 -1.519 0.942
396 1HB GLN 13 1HB GLN 13 -13.644 -3.409 -0.342
397 2HB GLN 13 2HB GLN 13 -13.350 -2.019 0.779
398 1HG GLN 13 1HG GLN 13 -14.543 -4.757 1.381
399 2HG GLN 13 2HG GLN 13 -13.097 -3.857 2.123
400 1HE2 GLN 13 1HE2 GLN 13 -13.745 -4.158 4.144
401 2HE2 GLN 13 2HE2 GLN 13 -15.100 -3.144 4.686
402 H ILE 14 H ILE 14 -15.229 -2.820 -2.355
403 HA ILE 14 HA ILE 14 -14.327 -0.265 -3.357
404 HB ILE 14 HB ILE 14 -15.564 -2.595 -4.727
405 1HG1 ILE 14 1HG1 ILE 14 -12.698 -1.670 -4.847
406 2HG1 ILE 14 2HG1 ILE 14 -13.409 -2.729 -3.533
407 1HG2 ILE 14 1HG2 ILE 14 -16.150 -0.749 -6.167
408 2HG2 ILE 14 2HG2 ILE 14 -14.465 -0.225 -6.121
409 3HG2 ILE 14 3HG2 ILE 14 -14.894 -1.774 -6.849
410 1HD1 ILE 14 1HD1 ILE 14 -13.304 -3.299 -6.519
411 2HD1 ILE 14 2HD1 ILE 14 -12.250 -4.057 -5.313
412 3HD1 ILE 14 3HD1 ILE 14 -14.068 -4.230 -5.258
413 H ALA 15 H ALA 15 -17.452 -1.446 -2.558
414 HA ALA 15 HA ALA 15 -18.997 0.540 -4.044
415 1HB ALA 15 1HB ALA 15 -20.833 -0.206 -2.333
416 2HB ALA 15 2HB ALA 15 -20.281 -1.278 -3.533
417 3HB ALA 15 3HB ALA 15 -19.791 -1.440 -1.834
418 H GLU 16 H GLU 16 -18.127 0.243 -0.672
419 HA GLU 16 HA GLU 16 -18.820 2.890 0.339
420 1HB GLU 16 1HB GLU 16 -16.785 0.840 0.869
421 2HB GLU 16 2HB GLU 16 -16.633 2.302 1.897
422 1HG GLU 16 1HG GLU 16 -18.208 -0.011 2.317
423 2HG GLU 16 2HG GLU 16 -17.523 1.320 3.356
424 H LEU 17 H LEU 17 -15.659 1.736 -0.803
425 HA LEU 17 HA LEU 17 -14.265 3.923 -0.202
426 1HB LEU 17 1HB LEU 17 -13.779 1.606 -1.909
427 2HB LEU 17 2HB LEU 17 -12.779 3.016 -2.144
428 HG LEU 17 HG LEU 17 -13.508 1.930 0.634
429 1HD1 LEU 17 1HD1 LEU 17 -11.011 0.852 0.594
430 2HD1 LEU 17 2HD1 LEU 17 -11.231 0.848 -1.085
431 3HD1 LEU 17 3HD1 LEU 17 -12.345 -0.070 0.023
432 1HD2 LEU 17 1HD2 LEU 17 -10.868 3.074 -0.086
433 2HD2 LEU 17 2HD2 LEU 17 -11.656 3.132 1.513
434 3HD2 LEU 17 3HD2 LEU 17 -12.268 4.160 0.126
435 H GLU 18 H GLU 18 -15.529 2.997 -3.473
436 HA GLU 18 HA GLU 18 -15.211 5.511 -4.781
437 1HB GLU 18 1HB GLU 18 -17.219 3.213 -5.037
438 2HB GLU 18 2HB GLU 18 -17.203 4.634 -6.142
439 1HG GLU 18 1HG GLU 18 -14.814 4.155 -6.579
440 2HG GLU 18 2HG GLU 18 -15.064 2.675 -5.581
441 H GLN 19 H GLN 19 -18.005 4.622 -2.765
442 HA GLN 19 HA GLN 19 -19.405 6.970 -3.721
443 1HB GLN 19 1HB GLN 19 -19.865 4.865 -1.517
444 2HB GLN 19 2HB GLN 19 -20.924 6.219 -1.510
445 1HG GLN 19 1HG GLN 19 -20.303 4.436 -3.958
446 2HG GLN 19 2HG GLN 19 -21.619 4.167 -2.904
447 1HE2 GLN 19 1HE2 GLN 19 -20.741 5.944 -5.876
448 2HE2 GLN 19 2HE2 GLN 19 -22.094 6.959 -5.842
449 H HIS 20 H HIS 20 -17.398 6.255 -0.756
450 HA HIS 20 HA HIS 20 -18.074 8.979 0.143
451 1HB HIS 20 1HB HIS 20 -16.197 6.984 1.305
452 2HB HIS 20 2HB HIS 20 -16.611 8.498 2.050
453 HD1 HIS 20 HD1 HIS 20 -19.416 8.833 2.299
454 HD2 HIS 20 HD2 HIS 20 -17.806 4.902 1.934
455 HE1 HIS 20 HE1 HIS 20 -21.189 7.151 3.251
456 H PHE 21 H PHE 21 -15.409 7.442 -1.604
457 HA PHE 21 HA PHE 21 -13.699 9.582 -1.988
458 1HB PHE 21 1HB PHE 21 -13.015 7.640 -2.939
459 2HB PHE 21 2HB PHE 21 -14.665 7.366 -3.694
460 HD1 PHE 21 HD1 PHE 21 -15.258 8.043 -5.899
461 HD2 PHE 21 HD2 PHE 21 -11.450 8.989 -4.037
462 HE1 PHE 21 HE1 PHE 21 -14.547 8.913 -7.985
463 HE2 PHE 21 HE2 PHE 21 -10.804 10.203 -6.116
464 HZ PHE 21 HZ PHE 21 -12.135 9.840 -8.256
465 H LEU 22 H LEU 22 -16.775 9.113 -3.736
466 HA LEU 22 HA LEU 22 -16.552 11.214 -5.501
467 1HB LEU 22 1HB LEU 22 -19.023 10.483 -3.929
468 2HB LEU 22 2HB LEU 22 -19.148 11.490 -5.423
469 HG LEU 22 HG LEU 22 -18.582 8.522 -5.268
470 1HD1 LEU 22 1HD1 LEU 22 -20.750 9.495 -5.333
471 2HD1 LEU 22 2HD1 LEU 22 -20.327 8.230 -6.543
472 3HD1 LEU 22 3HD1 LEU 22 -20.509 10.071 -6.989
473 1HD2 LEU 22 1HD2 LEU 22 -16.868 9.548 -6.841
474 2HD2 LEU 22 2HD2 LEU 22 -18.155 10.384 -7.641
475 3HD2 LEU 22 3HD2 LEU 22 -17.973 8.532 -7.615
476 H GLN 23 H GLN 23 -17.321 11.476 -2.001
477 HA GLN 23 HA GLN 23 -18.016 14.212 -2.126
478 1HB GLN 23 1HB GLN 23 -17.398 12.553 0.214
479 2HB GLN 23 2HB GLN 23 -18.326 14.163 0.036
480 1HG GLN 23 1HG GLN 23 -19.258 11.363 -0.671
481 2HG GLN 23 2HG GLN 23 -19.783 12.344 0.624
482 1HE2 GLN 23 1HE2 GLN 23 -20.536 11.239 -2.515
483 2HE2 GLN 23 2HE2 GLN 23 -21.476 12.658 -3.024
484 H GLY 24 H GLY 24 -14.985 12.490 -1.782
485 1HA GLY 24 1HA GLY 24 -13.477 15.017 -1.742
486 2HA GLY 24 2HA GLY 24 -13.058 14.018 -0.385
487 H ARG 25 H ARG 25 -12.447 14.377 -3.683
488 HA ARG 25 HA ARG 25 -11.802 11.584 -4.460
489 1HB ARG 25 1HB ARG 25 -11.656 14.215 -5.829
490 2HB ARG 25 2HB ARG 25 -11.179 12.637 -6.604
491 1HG ARG 25 1HG ARG 25 -13.223 12.967 -7.444
492 2HG ARG 25 2HG ARG 25 -13.592 11.788 -6.197
493 1HD ARG 25 1HD ARG 25 -15.334 13.509 -6.146
494 2HD ARG 25 2HD ARG 25 -14.500 13.591 -4.650
495 HE ARG 25 HE ARG 25 -13.359 15.446 -6.594
496 1HH1 ARG 25 2HH1 ARG 25 -16.307 15.136 -4.794
497 2HH1 ARG 25 1HH1 ARG 25 -16.524 16.878 -4.827
498 1HH2 ARG 25 2HH2 ARG 25 -13.506 17.380 -6.403
499 2HH2 ARG 25 1HH2 ARG 25 -14.954 18.280 -5.888
500 H TYR 26 H TYR 26 -10.173 13.855 -2.746
501 HA TYR 26 HA TYR 26 -7.575 12.433 -3.167
502 1HB TYR 26 1HB TYR 26 -7.953 15.311 -2.369
503 2HB TYR 26 2HB TYR 26 -6.394 14.486 -2.437
504 HD1 TYR 26 HD1 TYR 26 -9.317 15.218 -4.554
505 HD2 TYR 26 HD2 TYR 26 -5.064 14.537 -4.314
506 HE1 TYR 26 HE1 TYR 26 -9.191 15.377 -7.061
507 HE2 TYR 26 HE2 TYR 26 -4.958 14.626 -6.901
508 HH TYR 26 HH TYR 26 -8.077 15.107 -8.555
509 H LEU 27 H LEU 27 -6.400 11.939 -0.943
510 HA LEU 27 HA LEU 27 -8.257 11.846 1.274
511 1HB LEU 27 1HB LEU 27 -5.736 10.350 0.543
512 2HB LEU 27 2HB LEU 27 -6.243 10.385 2.221
513 HG LEU 27 HG LEU 27 -8.123 9.484 0.180
514 1HD1 LEU 27 1HD1 LEU 27 -6.067 7.967 1.801
515 2HD1 LEU 27 2HD1 LEU 27 -6.526 7.876 0.015
516 3HD1 LEU 27 3HD1 LEU 27 -7.482 7.079 1.274
517 1HD2 LEU 27 1HD2 LEU 27 -9.598 9.117 1.688
518 2HD2 LEU 27 2HD2 LEU 27 -8.747 10.196 2.733
519 3HD2 LEU 27 3HD2 LEU 27 -8.532 8.341 2.809
520 H THR 28 H THR 28 -7.920 12.495 3.028
521 HA THR 28 HA THR 28 -5.508 13.847 4.165
522 HB THR 28 HB THR 28 -6.866 15.367 5.275
523 HG1 THR 28 HG1 THR 28 -8.891 15.804 4.193
524 1HG2 THR 28 1HG2 THR 28 -7.256 15.581 2.266
525 2HG2 THR 28 2HG2 THR 28 -5.865 16.028 3.238
526 3HG2 THR 28 3HG2 THR 28 -7.288 16.942 3.424
527 H ALA 29 H ALA 29 -5.858 13.816 6.501
528 HA ALA 29 HA ALA 29 -6.341 11.282 7.657
529 1HB ALA 29 1HB ALA 29 -5.938 12.070 9.686
530 2HB ALA 29 2HB ALA 29 -4.893 13.073 8.604
531 3HB ALA 29 3HB ALA 29 -6.470 13.697 9.314
532 HA PRO 30 HA PRO 30 -10.681 12.739 9.013
533 1HB PRO 30 1HB PRO 30 -11.973 14.693 7.383
534 2HB PRO 30 2HB PRO 30 -11.204 14.915 9.073
535 1HG PRO 30 1HG PRO 30 -9.923 15.194 6.409
536 2HG PRO 30 2HG PRO 30 -10.006 16.388 7.860
537 1HD PRO 30 1HD PRO 30 -7.820 14.729 7.393
538 2HD PRO 30 2HD PRO 30 -8.496 14.861 9.043
539 H ARG 31 H ARG 31 -9.844 12.647 5.517
540 HA ARG 31 HA ARG 31 -12.404 11.687 4.517
541 1HB ARG 31 1HB ARG 31 -9.766 12.121 3.422
542 2HB ARG 31 2HB ARG 31 -10.992 11.001 2.562
543 1HG ARG 31 1HG ARG 31 -10.806 13.407 1.789
544 2HG ARG 31 2HG ARG 31 -12.320 12.586 1.942
545 1HD ARG 31 1HD ARG 31 -12.607 13.817 4.218
546 2HD ARG 31 2HD ARG 31 -11.191 14.513 4.065
547 HE ARG 31 HE ARG 31 -12.226 15.608 1.863
548 1HH1 ARG 31 2HH1 ARG 31 -14.470 14.367 4.375
549 2HH1 ARG 31 1HH1 ARG 31 -15.749 15.213 3.537
550 1HH2 ARG 31 2HH2 ARG 31 -13.866 16.607 1.126
551 2HH2 ARG 31 1HH2 ARG 31 -15.490 16.375 1.735
552 H LEU 32 H LEU 32 -9.139 10.358 5.089
553 HA LEU 32 HA LEU 32 -9.283 7.651 4.780
554 1HB LEU 32 1HB LEU 32 -7.354 9.284 4.803
555 2HB LEU 32 2HB LEU 32 -7.594 9.385 6.558
556 HG LEU 32 HG LEU 32 -7.011 6.688 6.220
557 1HD1 LEU 32 1HD1 LEU 32 -5.616 8.386 3.998
558 2HD1 LEU 32 2HD1 LEU 32 -6.662 6.942 3.805
559 3HD1 LEU 32 3HD1 LEU 32 -5.064 6.860 4.670
560 1HD2 LEU 32 1HD2 LEU 32 -4.780 7.394 7.126
561 2HD2 LEU 32 2HD2 LEU 32 -6.113 8.493 7.712
562 3HD2 LEU 32 3HD2 LEU 32 -4.901 8.927 6.487
563 H ALA 33 H ALA 33 -9.701 9.615 8.017
564 HA ALA 33 HA ALA 33 -10.214 7.408 9.744
565 1HB ALA 33 1HB ALA 33 -9.794 10.003 10.289
566 2HB ALA 33 2HB ALA 33 -11.543 10.036 9.985
567 3HB ALA 33 3HB ALA 33 -10.827 8.894 11.214
568 H ASP 34 H ASP 34 -12.528 9.473 8.014
569 HA ASP 34 HA ASP 34 -15.005 8.136 8.806
570 1HB ASP 34 1HB ASP 34 -14.625 10.595 7.836
571 2HB ASP 34 2HB ASP 34 -14.167 9.750 6.358
572 H LEU 35 H LEU 35 -13.278 7.681 5.745
573 HA LEU 35 HA LEU 35 -14.919 5.592 5.141
574 1HB LEU 35 1HB LEU 35 -12.699 6.831 3.830
575 2HB LEU 35 2HB LEU 35 -12.199 5.175 4.010
576 HG LEU 35 HG LEU 35 -13.330 4.340 2.432
577 1HD1 LEU 35 1HD1 LEU 35 -15.436 4.229 3.559
578 2HD1 LEU 35 2HD1 LEU 35 -15.798 4.760 1.854
579 3HD1 LEU 35 3HD1 LEU 35 -15.867 5.924 3.173
580 1HD2 LEU 35 1HD2 LEU 35 -12.518 6.402 1.259
581 2HD2 LEU 35 2HD2 LEU 35 -14.003 7.228 1.802
582 3HD2 LEU 35 3HD2 LEU 35 -14.080 5.827 0.679
583 H SER 36 H SER 36 -11.931 5.496 7.080
584 HA SER 36 HA SER 36 -11.706 2.693 7.195
585 1HB SER 36 1HB SER 36 -9.773 3.594 7.844
586 2HB SER 36 2HB SER 36 -10.492 4.909 8.704
587 HG SER 36 HG SER 36 -10.272 2.202 9.428
588 H ALA 37 H ALA 37 -13.613 4.840 9.355
589 HA ALA 37 HA ALA 37 -14.722 2.696 10.907
590 1HB ALA 37 1HB ALA 37 -16.583 4.325 11.466
591 2HB ALA 37 2HB ALA 37 -15.027 5.318 11.651
592 3HB ALA 37 3HB ALA 37 -16.123 5.449 10.282
593 H LYS 38 H LYS 38 -15.813 4.027 7.786
594 HA LYS 38 HA LYS 38 -18.287 2.492 8.002
595 1HB LYS 38 1HB LYS 38 -17.259 4.392 5.853
596 2HB LYS 38 2HB LYS 38 -18.766 3.464 5.775
597 1HG LYS 38 1HG LYS 38 -19.506 4.314 7.839
598 2HG LYS 38 2HG LYS 38 -18.076 5.391 8.086
599 1HD LYS 38 1HD LYS 38 -19.519 5.398 5.395
600 2HD LYS 38 2HD LYS 38 -20.357 6.229 6.656
601 1HE LYS 38 1HE LYS 38 -18.163 7.320 7.234
602 2HE LYS 38 2HE LYS 38 -17.620 6.645 5.641
603 1HZ LYS 38 1HZ LYS 38 -19.345 7.842 4.545
604 2HZ LYS 38 2HZ LYS 38 -18.305 8.850 5.478
605 3HZ LYS 38 3HZ LYS 38 -19.878 8.607 5.845
606 H LEU 39 H LEU 39 -15.427 2.197 5.997
607 HA LEU 39 HA LEU 39 -16.302 -0.268 4.594
608 1HB LEU 39 1HB LEU 39 -13.633 0.811 5.416
609 2HB LEU 39 2HB LEU 39 -13.852 -0.683 4.594
610 HG LEU 39 HG LEU 39 -14.765 1.929 3.213
611 1HD1 LEU 39 1HD1 LEU 39 -12.481 2.632 3.617
612 2HD1 LEU 39 2HD1 LEU 39 -12.000 1.319 2.521
613 3HD1 LEU 39 3HD1 LEU 39 -12.011 1.008 4.192
614 1HD2 LEU 39 1HD2 LEU 39 -15.318 -0.437 2.756
615 2HD2 LEU 39 2HD2 LEU 39 -13.555 -0.572 2.153
616 3HD2 LEU 39 3HD2 LEU 39 -14.695 0.396 1.398
617 H ALA 40 H ALA 40 -14.855 0.527 7.693
618 HA ALA 40 HA ALA 40 -14.302 -0.583 9.444
619 1HB ALA 40 1HB ALA 40 -16.269 -1.635 9.615
620 2HB ALA 40 2HB ALA 40 -15.873 -2.909 8.549
621 3HB ALA 40 3HB ALA 40 -14.981 -2.790 10.163
622 H LEU 41 H LEU 41 -12.390 -0.030 7.787
623 HA LEU 41 HA LEU 41 -10.291 -2.206 7.622
624 1HB LEU 41 1HB LEU 41 -10.768 -0.085 5.419
625 2HB LEU 41 2HB LEU 41 -9.440 -1.122 5.673
626 HG LEU 41 HG LEU 41 -12.231 -1.991 4.858
627 1HD1 LEU 41 1HD1 LEU 41 -9.458 -2.154 3.666
628 2HD1 LEU 41 2HD1 LEU 41 -10.711 -0.999 3.155
629 3HD1 LEU 41 3HD1 LEU 41 -10.930 -2.759 2.826
630 1HD2 LEU 41 1HD2 LEU 41 -9.892 -3.565 5.804
631 2HD2 LEU 41 2HD2 LEU 41 -11.181 -4.257 4.760
632 3HD2 LEU 41 3HD2 LEU 41 -11.694 -3.779 6.256
633 H GLY 42 H GLY 42 -8.336 -1.468 7.963
634 1HA GLY 42 1HA GLY 42 -7.759 0.737 9.629
635 2HA GLY 42 2HA GLY 42 -6.671 -0.121 8.436
636 H THR 43 H THR 43 -6.925 2.697 9.270
637 HA THR 43 HA THR 43 -7.565 4.477 7.008
638 HB THR 43 HB THR 43 -5.766 5.972 7.827
639 HG1 THR 43 HG1 THR 43 -5.212 5.660 9.873
640 1HG2 THR 43 1HG2 THR 43 -7.421 6.718 9.505
641 2HG2 THR 43 2HG2 THR 43 -8.040 5.073 9.672
642 3HG2 THR 43 3HG2 THR 43 -8.318 6.077 8.184
643 H ALA 44 H ALA 44 -4.661 2.544 7.525
644 HA ALA 44 HA ALA 44 -3.217 3.674 5.340
645 1HB ALA 44 1HB ALA 44 -2.944 0.815 6.408
646 2HB ALA 44 2HB ALA 44 -1.690 1.718 5.611
647 3HB ALA 44 3HB ALA 44 -2.350 2.246 7.203
648 H GLN 45 H GLN 45 -5.332 0.802 5.292
649 HA GLN 45 HA GLN 45 -4.962 0.353 2.517
650 1HB GLN 45 1HB GLN 45 -7.359 -0.078 4.453
651 2HB GLN 45 2HB GLN 45 -7.515 -0.581 2.830
652 1HG GLN 45 1HG GLN 45 -6.838 -2.540 4.158
653 2HG GLN 45 2HG GLN 45 -5.601 -2.233 2.915
654 1HE2 GLN 45 1HE2 GLN 45 -6.424 -1.547 6.368
655 2HE2 GLN 45 2HE2 GLN 45 -4.809 -1.655 6.956
656 H VAL 46 H VAL 46 -7.045 2.958 4.040
657 HA VAL 46 HA VAL 46 -8.464 3.179 1.681
658 HB VAL 46 HB VAL 46 -8.082 5.497 3.583
659 1HG1 VAL 46 1HG1 VAL 46 -10.565 4.909 1.879
660 2HG1 VAL 46 2HG1 VAL 46 -10.135 6.397 2.706
661 3HG1 VAL 46 3HG1 VAL 46 -9.200 5.961 1.335
662 1HG2 VAL 46 1HG2 VAL 46 -10.215 4.675 4.821
663 2HG2 VAL 46 2HG2 VAL 46 -10.122 3.234 3.830
664 3HG2 VAL 46 3HG2 VAL 46 -8.832 3.541 4.875
665 H LYS 47 H LYS 47 -5.665 5.107 2.850
666 HA LYS 47 HA LYS 47 -4.963 6.559 0.551
667 1HB LYS 47 1HB LYS 47 -3.667 5.362 2.977
668 2HB LYS 47 2HB LYS 47 -2.647 5.516 1.510
669 1HG LYS 47 1HG LYS 47 -2.412 7.639 1.546
670 2HG LYS 47 2HG LYS 47 -4.068 7.955 2.178
671 1HD LYS 47 1HD LYS 47 -1.700 8.150 3.635
672 2HD LYS 47 2HD LYS 47 -3.392 8.116 4.300
673 1HE LYS 47 1HE LYS 47 -3.211 5.911 4.909
674 2HE LYS 47 2HE LYS 47 -1.618 5.698 4.186
675 1HZ LYS 47 1HZ LYS 47 -1.778 8.034 5.951
676 2HZ LYS 47 2HZ LYS 47 -0.660 6.767 6.043
677 3HZ LYS 47 3HZ LYS 47 -1.964 6.688 6.793
678 H ILE 48 H ILE 48 -4.048 3.168 1.195
679 HA ILE 48 HA ILE 48 -2.700 2.877 -1.294
680 HB ILE 48 HB ILE 48 -3.834 0.774 0.539
681 1HG1 ILE 48 1HG1 ILE 48 -0.950 1.733 0.178
682 2HG1 ILE 48 2HG1 ILE 48 -1.994 2.459 1.397
683 1HG2 ILE 48 1HG2 ILE 48 -2.021 0.556 -1.820
684 2HG2 ILE 48 2HG2 ILE 48 -2.311 -0.888 -0.682
685 3HG2 ILE 48 3HG2 ILE 48 -3.482 -0.268 -1.702
686 1HD1 ILE 48 1HD1 ILE 48 -0.438 0.275 1.932
687 2HD1 ILE 48 2HD1 ILE 48 -2.045 0.516 2.696
688 3HD1 ILE 48 3HD1 ILE 48 -1.861 -0.494 1.201
689 H TRP 49 H TRP 49 -6.133 2.338 -0.518
690 HA TRP 49 HA TRP 49 -6.646 1.477 -3.251
691 1HB TRP 49 1HB TRP 49 -8.263 0.926 -1.381
692 2HB TRP 49 2HB TRP 49 -8.473 2.775 -1.291
693 HD1 TRP 49 HD1 TRP 49 -8.912 0.345 -4.219
694 HE1 TRP 49 HE1 TRP 49 -11.116 0.986 -5.433
695 HE3 TRP 49 HE3 TRP 49 -9.883 4.563 -1.797
696 HZ2 TRP 49 HZ2 TRP 49 -12.497 3.412 -5.869
697 HZ3 TRP 49 HZ3 TRP 49 -11.634 6.220 -2.712
698 HH2 TRP 49 HH2 TRP 49 -13.064 5.504 -4.585
699 H PHE 50 H PHE 50 -7.067 4.667 -1.868
700 HA PHE 50 HA PHE 50 -7.924 5.850 -4.263
701 1HB PHE 50 1HB PHE 50 -6.387 7.014 -1.867
702 2HB PHE 50 2HB PHE 50 -6.534 7.965 -3.353
703 HD1 PHE 50 HD1 PHE 50 -8.156 9.694 -3.100
704 HD2 PHE 50 HD2 PHE 50 -8.691 5.968 -0.941
705 HE1 PHE 50 HE1 PHE 50 -10.268 10.400 -2.337
706 HE2 PHE 50 HE2 PHE 50 -10.854 6.685 -0.159
707 HZ PHE 50 HZ PHE 50 -11.684 8.898 -0.827
708 H LYS 51 H LYS 51 -4.692 5.343 -3.262
709 HA LYS 51 HA LYS 51 -3.166 6.363 -5.540
710 1HB LYS 51 1HB LYS 51 -2.543 4.092 -3.623
711 2HB LYS 51 2HB LYS 51 -1.439 4.781 -4.884
712 1HG LYS 51 1HG LYS 51 -1.297 6.990 -4.026
713 2HG LYS 51 2HG LYS 51 -2.598 6.665 -2.796
714 1HD LYS 51 1HD LYS 51 0.128 6.718 -2.377
715 2HD LYS 51 2HD LYS 51 -1.046 6.282 -1.229
716 1HE LYS 51 1HE LYS 51 -0.638 4.178 -1.256
717 2HE LYS 51 2HE LYS 51 -0.054 4.034 -2.972
718 1HZ LYS 51 1HZ LYS 51 1.574 4.144 -0.825
719 2HZ LYS 51 2HZ LYS 51 1.302 5.686 -0.986
720 3HZ LYS 51 3HZ LYS 51 2.044 4.929 -2.185
721 H ASN 52 H ASN 52 -4.082 2.948 -4.776
722 HA ASN 52 HA ASN 52 -3.484 1.983 -7.453
723 1HB ASN 52 1HB ASN 52 -5.248 1.145 -5.054
724 2HB ASN 52 2HB ASN 52 -5.660 0.453 -6.689
725 1HD2 ASN 52 2HD2 ASN 52 -3.865 -0.222 -3.858
726 2HD2 ASN 52 1HD2 ASN 52 -2.755 -1.351 -4.628
727 H ARG 53 H ARG 53 -6.631 3.684 -6.337
728 HA ARG 53 HA ARG 53 -7.877 3.011 -8.816
729 1HB ARG 53 1HB ARG 53 -9.022 3.694 -6.897
730 2HB ARG 53 2HB ARG 53 -8.398 5.287 -6.709
731 1HG ARG 53 1HG ARG 53 -9.342 5.863 -9.132
732 2HG ARG 53 2HG ARG 53 -10.202 4.523 -9.101
733 1HD ARG 53 1HD ARG 53 -11.234 5.036 -6.961
734 2HD ARG 53 2HD ARG 53 -10.425 6.615 -6.957
735 HE ARG 53 HE ARG 53 -11.652 7.138 -9.049
736 1HH1 ARG 53 2HH1 ARG 53 -12.318 3.833 -8.298
737 2HH1 ARG 53 1HH1 ARG 53 -13.893 4.043 -9.065
738 1HH2 ARG 53 2HH2 ARG 53 -13.638 7.278 -9.876
739 2HH2 ARG 53 1HH2 ARG 53 -14.734 5.915 -9.875
740 H ARG 54 H ARG 54 -6.123 6.198 -7.942
741 HA ARG 54 HA ARG 54 -6.314 7.192 -10.485
742 1HB ARG 54 1HB ARG 54 -4.356 7.331 -8.227
743 2HB ARG 54 2HB ARG 54 -3.829 8.070 -9.694
744 1HG ARG 54 1HG ARG 54 -5.792 9.482 -9.812
745 2HG ARG 54 2HG ARG 54 -6.719 8.547 -8.604
746 1HD ARG 54 1HD ARG 54 -4.591 8.995 -7.193
747 2HD ARG 54 2HD ARG 54 -4.426 10.362 -8.183
748 HE ARG 54 HE ARG 54 -6.809 10.961 -7.401
749 1HH1 ARG 54 2HH1 ARG 54 -5.304 8.555 -5.638
750 2HH1 ARG 54 1HH1 ARG 54 -4.891 9.497 -4.170
751 1HH2 ARG 54 2HH2 ARG 54 -7.124 11.965 -5.345
752 2HH2 ARG 54 1HH2 ARG 54 -6.162 11.570 -4.012
753 H ARG 55 H ARG 55 -3.730 4.934 -9.411
754 HA ARG 55 HA ARG 55 -2.277 4.776 -11.883
755 1HB ARG 55 1HB ARG 55 -2.682 2.716 -9.610
756 2HB ARG 55 2HB ARG 55 -1.543 2.496 -10.871
757 1HG ARG 55 1HG ARG 55 -1.513 4.900 -9.092
758 2HG ARG 55 2HG ARG 55 -0.543 3.450 -8.705
759 1HD ARG 55 1HD ARG 55 -0.226 5.513 -10.980
760 2HD ARG 55 2HD ARG 55 1.000 5.022 -9.850
761 HE ARG 55 HE ARG 55 0.578 3.750 -12.354
762 1HH1 ARG 55 2HH1 ARG 55 1.326 2.819 -9.065
763 2HH1 ARG 55 1HH1 ARG 55 2.559 1.746 -9.640
764 1HH2 ARG 55 2HH2 ARG 55 1.811 2.146 -12.997
765 2HH2 ARG 55 1HH2 ARG 55 2.766 1.250 -11.839
766 H ARG 56 H ARG 56 -5.115 2.955 -10.882
767 HA ARG 56 HA ARG 56 -5.248 1.179 -13.216
768 1HB ARG 56 1HB ARG 56 -6.454 1.312 -10.804
769 2HB ARG 56 2HB ARG 56 -7.763 2.010 -11.665
770 1HG ARG 56 1HG ARG 56 -8.379 -0.238 -11.702
771 2HG ARG 56 2HG ARG 56 -7.818 0.055 -13.308
772 1HD ARG 56 1HD ARG 56 -6.779 -2.138 -12.631
773 2HD ARG 56 2HD ARG 56 -5.618 -0.904 -12.827
774 HE ARG 56 HE ARG 56 -6.706 -2.177 -10.386
775 1HH1 ARG 56 2HH1 ARG 56 -4.411 0.331 -11.577
776 2HH1 ARG 56 1HH1 ARG 56 -3.231 -0.149 -10.315
777 1HH2 ARG 56 2HH2 ARG 56 -5.073 -2.291 -8.576
778 2HH2 ARG 56 1HH2 ARG 56 -3.670 -1.384 -8.541
779 H HIS 57 H HIS 57 -6.779 4.372 -12.461
780 HA HIS 57 HA HIS 57 -8.231 4.542 -14.866
781 1HB HIS 57 1HB HIS 57 -7.253 6.484 -12.643
782 2HB HIS 57 2HB HIS 57 -7.920 7.067 -14.153
783 HD1 HIS 57 HD1 HIS 57 -10.063 4.301 -13.903
784 HD2 HIS 57 HD2 HIS 57 -9.372 7.582 -11.349
785 HE1 HIS 57 HE1 HIS 57 -11.966 4.370 -12.182
786 H LYS 58 H LYS 58 -5.124 6.018 -13.950
787 HA LYS 58 HA LYS 58 -4.842 7.155 -16.611
788 1HB LYS 58 1HB LYS 58 -2.931 7.996 -16.065
789 2HB LYS 58 2HB LYS 58 -3.908 8.134 -14.590
790 1HG LYS 58 1HG LYS 58 -2.637 6.171 -13.617
791 2HG LYS 58 2HG LYS 58 -1.463 6.346 -15.006
792 1HD LYS 58 1HD LYS 58 -0.337 7.763 -13.658
793 2HD LYS 58 2HD LYS 58 -1.562 8.939 -14.188
794 1HE LYS 58 1HE LYS 58 -2.938 7.676 -12.240
795 2HE LYS 58 2HE LYS 58 -1.249 7.497 -11.672
796 1HZ LYS 58 1HZ LYS 58 -2.416 10.155 -12.437
797 2HZ LYS 58 2HZ LYS 58 -1.028 9.892 -11.813
798 3HZ LYS 58 3HZ LYS 58 -2.270 9.558 -10.924
799 H ILE 59 H ILE 59 -3.707 3.988 -15.265
800 HA ILE 59 HA ILE 59 -2.058 3.346 -17.466
801 HB ILE 59 HB ILE 59 -3.583 1.569 -15.452
802 1HG1 ILE 59 1HG1 ILE 59 -0.497 2.050 -15.893
803 2HG1 ILE 59 2HG1 ILE 59 -1.567 3.159 -15.134
804 1HG2 ILE 59 1HG2 ILE 59 -1.653 0.451 -17.607
805 2HG2 ILE 59 2HG2 ILE 59 -2.277 -0.308 -16.168
806 3HG2 ILE 59 3HG2 ILE 59 -3.425 0.223 -17.466
807 1HD1 ILE 59 1HD1 ILE 59 -0.441 1.772 -13.438
808 2HD1 ILE 59 2HD1 ILE 59 -2.164 1.277 -13.371
809 3HD1 ILE 59 3HD1 ILE 59 -0.836 0.325 -14.254
810 H GLN 60 H GLN 60 -5.545 2.666 -16.888
811 HA GLN 60 HA GLN 60 -5.632 1.424 -19.411
812 1HB GLN 60 1HB GLN 60 -7.688 2.549 -17.432
813 2HB GLN 60 2HB GLN 60 -8.242 1.688 -18.918
814 1HG GLN 60 1HG GLN 60 -7.334 -0.353 -18.334
815 2HG GLN 60 2HG GLN 60 -6.499 0.330 -16.969
816 1HE2 GLN 60 1HE2 GLN 60 -7.772 -1.640 -16.139
817 2HE2 GLN 60 2HE2 GLN 60 -9.467 -1.302 -15.562
818 H SER 61 H SER 61 -5.941 4.916 -18.634
819 HA SER 61 HA SER 61 -7.071 5.575 -21.185
820 1HB SER 61 1HB SER 61 -7.282 7.541 -20.495
821 2HB SER 61 2HB SER 61 -7.501 6.673 -19.014
822 HG SER 61 HG SER 61 -6.232 8.467 -18.634
823 H ASP 62 H ASP 62 -3.724 5.299 -19.760
824 HA ASP 62 HA ASP 62 -2.352 6.630 -21.912
825 1HB ASP 62 1HB ASP 62 -1.383 6.348 -20.096
826 2HB ASP 62 2HB ASP 62 -1.790 4.664 -19.625
827 H GLN 63 H GLN 63 -3.150 3.186 -21.417
828 HA GLN 63 HA GLN 63 -2.348 2.131 -23.900
829 1HB GLN 63 1HB GLN 63 -4.618 1.156 -22.068
830 2HB GLN 63 2HB GLN 63 -3.948 0.312 -23.460
831 1HG GLN 63 1HG GLN 63 -2.402 1.106 -20.896
832 2HG GLN 63 2HG GLN 63 -3.034 -0.482 -21.391
833 1HE2 GLN 63 1HE2 GLN 63 -0.195 1.608 -21.413
834 2HE2 GLN 63 2HE2 GLN 63 0.565 0.423 -22.389
835 H HIS 64 H HIS 64 -4.578 4.399 -23.564
836 HA HIS 64 HA HIS 64 -5.884 3.948 -26.225
837 1HB HIS 64 1HB HIS 64 -7.202 4.872 -23.591
838 2HB HIS 64 2HB HIS 64 -7.832 5.150 -25.263
839 HD1 HIS 64 HD1 HIS 64 -7.373 2.482 -22.554
840 HD2 HIS 64 HD2 HIS 64 -8.502 2.632 -26.606
841 HE1 HIS 64 HE1 HIS 64 -8.646 0.334 -23.012
842 H LYS 65 H LYS 65 -3.535 5.534 -25.194
843 HA LYS 65 HA LYS 65 -4.083 8.291 -25.578
844 1HB LYS 65 1HB LYS 65 -1.947 7.558 -24.839
845 2HB LYS 65 2HB LYS 65 -1.765 6.511 -26.245
846 1HG LYS 65 1HG LYS 65 -0.208 8.275 -26.316
847 2HG LYS 65 2HG LYS 65 -1.275 8.646 -27.588
848 1HD LYS 65 1HD LYS 65 -2.397 10.266 -25.813
849 2HD LYS 65 2HD LYS 65 -1.165 9.893 -24.772
850 1HE LYS 65 1HE LYS 65 -0.560 10.860 -27.629
851 2HE LYS 65 2HE LYS 65 -0.928 12.106 -26.365
852 1HZ LYS 65 1HZ LYS 65 1.403 11.562 -26.731
853 2HZ LYS 65 2HZ LYS 65 1.200 10.050 -26.287
854 3HZ LYS 65 3HZ LYS 65 0.818 11.226 -25.200
855 H ASP 66 H ASP 66 -4.395 9.587 -27.055
856 HA ASP 66 HA ASP 66 -4.226 8.838 -30.006
857 1HB ASP 66 1HB ASP 66 -6.157 10.134 -30.497
858 2HB ASP 66 2HB ASP 66 -6.659 9.367 -29.027
859 H GLN 67 H GLN 67 -4.520 11.162 -31.221
860 HA GLN 67 HA GLN 67 -2.714 13.151 -30.431
861 1HB GLN 67 1HB GLN 67 -0.780 12.739 -31.591
862 2HB GLN 67 2HB GLN 67 -1.026 11.221 -30.977
863 1HG GLN 67 1HG GLN 67 -0.491 10.673 -33.030
864 2HG GLN 67 2HG GLN 67 -2.283 10.539 -33.120
865 1HE2 GLN 67 1HE2 GLN 67 -2.850 11.230 -35.340
866 2HE2 GLN 67 2HE2 GLN 67 -2.189 12.627 -35.988
867 H SER 68 H SER 68 -2.390 14.648 -32.117
868 HA SER 68 HA SER 68 -4.270 14.710 -34.348
869 1HB SER 68 1HB SER 68 -5.226 16.922 -33.730
870 2HB SER 68 2HB SER 68 -5.449 15.603 -32.566
871 HG SER 68 HG SER 68 -3.307 17.183 -32.075
Start of MODEL 2
1 1H5* G 69 1H5* G 69 8.346 -25.778 -10.204
2 2H5* G 69 2H5* G 69 9.785 -25.235 -10.535
3 H4* G 69 H4* G 69 8.558 -24.847 -12.352
4 H3* G 69 H3* G 69 9.964 -22.692 -11.698
5 H1* G 69 H1* G 69 6.058 -22.158 -12.288
6 H8 G 69 H8 G 69 7.236 -22.197 -8.642
7 H1 G 69 H1 G 69 0.917 -21.733 -9.246
8 1H2 G 69 1H2 G 69 1.762 -22.391 -12.521
9 2H2 G 69 2H2 G 69 0.387 -22.016 -11.446
10 H5T G 69 H5T G 69 9.486 -23.822 -8.787
11 1H2* G 69 1H2* G 69 8.310 -21.922 -10.267
12 2H2* G 69 2H2* G 69 8.030 -20.956 -11.782
13 1H5* C 70 1H5* C 70 6.749 -22.155 -15.126
14 2H5* C 70 2H5* C 70 7.352 -21.141 -16.440
15 H4* C 70 H4* C 70 5.078 -20.782 -16.248
16 H3* C 70 H3* C 70 6.954 -18.656 -15.868
17 H1* C 70 H1* C 70 3.344 -18.853 -14.511
18 1H4 C 70 1H4 C 70 4.369 -18.484 -8.005
19 2H4 C 70 2H4 C 70 2.770 -17.834 -8.430
20 H5 C 70 H5 C 70 5.989 -19.060 -9.789
21 H6 C 70 H6 C 70 6.222 -19.052 -12.258
22 1H2* C 70 1H2* C 70 5.979 -17.854 -13.913
23 2H2* C 70 2H2* C 70 4.799 -17.200 -14.937
24 1H5* T 71 1H5* T 71 2.587 -17.832 -16.982
25 2H5* T 71 2H5* T 71 2.228 -16.407 -18.059
26 H4* T 71 H4* T 71 0.604 -16.570 -16.164
27 H3* T 71 H3* T 71 2.787 -14.413 -16.020
28 1H2* T 71 1H2* T 71 1.853 -13.706 -14.229
29 2H2* T 71 2H2* T 71 0.144 -14.175 -14.650
30 H1* T 71 H1* T 71 0.171 -16.154 -13.782
31 H3 T 71 H3 T 71 0.967 -15.112 -9.366
32 1H5M T 71 1H5M T 71 5.660 -15.947 -10.152
33 2H5M T 71 2H5M T 71 5.743 -15.285 -11.784
34 3H5M T 71 3H5M T 71 5.319 -14.219 -10.438
35 H6 T 71 H6 T 71 3.961 -15.772 -13.107
36 1H5* C 72 1H5* C 72 -1.657 -13.595 -15.761
37 2H5* C 72 2H5* C 72 -2.205 -12.400 -17.005
38 H4* C 72 H4* C 72 -3.247 -12.298 -14.861
39 H3* C 72 H3* C 72 -2.037 -9.993 -15.981
40 H1* C 72 H1* C 72 -2.102 -11.050 -12.147
41 1H4 C 72 1H4 C 72 4.348 -11.646 -10.748
42 2H4 C 72 2H4 C 72 3.668 -11.788 -9.135
43 H5 C 72 H5 C 72 3.328 -11.793 -12.791
44 H6 C 72 H6 C 72 1.276 -11.289 -13.936
45 1H2* C 72 1H2* C 72 -0.318 -9.802 -14.212
46 2H2* C 72 2H2* C 72 -1.718 -9.102 -13.265
47 1H5* T 73 1H5* T 73 -4.340 -8.998 -12.243
48 2H5* T 73 2H5* T 73 -5.180 -7.491 -12.369
49 H4* T 73 H4* T 73 -3.998 -7.442 -10.241
50 H3* T 73 H3* T 73 -3.588 -5.445 -12.187
51 1H2* T 73 1H2* T 73 -1.340 -6.192 -12.679
52 2H2* T 73 2H2* T 73 -0.923 -5.155 -11.316
53 H1* T 73 H1* T 73 -1.261 -6.754 -9.562
54 H3 T 73 H3 T 73 2.773 -8.703 -8.790
55 1H5M T 73 1H5M T 73 3.694 -7.492 -13.285
56 2H5M T 73 2H5M T 73 2.958 -9.133 -13.579
57 3H5M T 73 3H5M T 73 2.147 -7.609 -13.990
58 H6 T 73 H6 T 73 0.408 -7.426 -12.721
59 1H5* A 74 1H5* A 74 -4.533 -6.512 -7.841
60 2H5* A 74 2H5* A 74 -5.999 -5.812 -7.276
61 H4* A 74 H4* A 74 -5.054 -6.577 -5.402
62 H3* A 74 H3* A 74 -5.462 -4.049 -5.372
63 H1* A 74 H1* A 74 -1.817 -5.142 -4.392
64 H8 A 74 H8 A 74 -2.206 -4.296 -8.118
65 1H6 A 74 1H6 A 74 3.894 -5.941 -8.305
66 2H6 A 74 2H6 A 74 2.567 -5.251 -9.285
67 H2 A 74 H2 A 74 2.506 -6.683 -4.304
68 1H2* A 74 1H2* A 74 -3.244 -3.361 -6.293
69 2H2* A 74 2H2* A 74 -2.933 -3.014 -4.649
70 1H5* A 75 1H5* A 75 -2.902 -5.517 -2.027
71 2H5* A 75 2H5* A 75 -3.332 -4.997 -0.424
72 H4* A 75 H4* A 75 -1.105 -5.296 -0.534
73 H3* A 75 H3* A 75 -2.122 -2.667 0.224
74 H1* A 75 H1* A 75 1.044 -3.405 -1.589
75 H8 A 75 H8 A 75 -1.268 -1.608 -4.050
76 1H6 A 75 1H6 A 75 3.481 -2.447 -7.936
77 2H6 A 75 2H6 A 75 1.729 -2.135 -7.989
78 H2 A 75 H2 A 75 4.775 -3.703 -4.031
79 1H2* A 75 1H2* A 75 -1.317 -1.605 -1.717
80 2H2* A 75 2H2* A 75 0.133 -1.401 -0.755
81 1H5* T 76 1H5* T 76 2.335 -4.123 0.653
82 2H5* T 76 2H5* T 76 2.607 -4.008 2.314
83 H4* T 76 H4* T 76 4.702 -3.799 1.397
84 H3* T 76 H3* T 76 3.753 -1.561 2.738
85 1H2* T 76 1H2* T 76 3.597 -0.119 1.004
86 2H2* T 76 2H2* T 76 5.377 -0.030 1.039
87 H1* T 76 H1* T 76 5.784 -1.523 -0.473
88 H3 T 76 H3 T 76 5.038 -0.019 -4.653
89 1H5M T 76 1H5M T 76 0.569 0.997 -1.757
90 2H5M T 76 2H5M T 76 1.012 2.013 -3.041
91 3H5M T 76 3H5M T 76 0.363 0.403 -3.469
92 H6 T 76 H6 T 76 2.164 -0.159 -0.733
93 1H5* C 77 1H5* C 77 8.368 -1.726 1.674
94 2H5* C 77 2H5* C 77 9.224 -1.192 3.144
95 H4* C 77 H4* C 77 10.404 -0.630 1.028
96 H3* C 77 H3* C 77 9.981 1.260 3.086
97 H1* C 77 H1* C 77 9.665 1.830 -0.610
98 1H4 C 77 1H4 C 77 3.366 3.134 -2.304
99 2H4 C 77 2H4 C 77 4.380 3.280 -3.755
100 H5 C 77 H5 C 77 4.331 2.806 -0.037
101 H6 C 77 H6 C 77 6.388 2.118 1.048
102 1H2* C 77 1H2* C 77 8.213 2.283 2.019
103 2H2* C 77 2H2* C 77 9.437 3.292 1.319
104 1H5* C 78 1H5* C 78 12.479 1.948 -0.699
105 2H5* C 78 2H5* C 78 14.134 2.292 -0.163
106 H4* C 78 H4* C 78 14.019 2.908 -2.291
107 H3* C 78 H3* C 78 14.769 4.612 -0.471
108 H1* C 78 H1* C 78 11.992 5.807 -3.025
109 1H4 C 78 1H4 C 78 6.755 5.724 0.693
110 2H4 C 78 2H4 C 78 6.110 5.911 -0.938
111 H5 C 78 H5 C 78 8.766 5.625 1.257
112 H6 C 78 H6 C 78 11.158 5.282 0.476
113 1H2* C 78 1H2* C 78 12.998 6.010 -0.307
114 2H2* C 78 2H2* C 78 13.514 6.808 -1.737
115 1H5* C 79 1H5* C 79 14.021 5.949 -4.381
116 2H5* C 79 2H5* C 79 15.284 6.914 -5.314
117 H4* C 79 H4* C 79 13.236 7.681 -5.971
118 H3* C 79 H3* C 79 14.940 9.555 -4.574
119 H1* C 79 H1* C 79 11.246 9.595 -4.725
120 1H4 C 79 1H4 C 79 8.257 8.468 1.180
121 2H4 C 79 2H4 C 79 7.073 9.006 -0.023
122 H5 C 79 H5 C 79 10.572 8.443 0.591
123 H6 C 79 H6 C 79 12.217 8.568 -1.195
124 1H2* C 79 1H2* C 79 13.458 9.664 -2.754
125 2H2* C 79 2H2* C 79 12.864 11.054 -3.846
126 1H5* C 80 1H5* C 80 11.107 11.501 -7.468
127 2H5* C 80 2H5* C 80 12.021 12.841 -8.185
128 H4* C 80 H4* C 80 9.657 13.395 -7.798
129 H3* C 80 H3* C 80 11.979 14.933 -6.880
130 H1* C 80 H1* C 80 8.802 14.801 -5.067
131 1H4 C 80 1H4 C 80 9.992 11.806 0.841
132 2H4 C 80 2H4 C 80 8.278 11.911 0.590
133 H5 C 80 H5 C 80 11.392 11.922 -1.228
134 H6 C 80 H6 C 80 11.572 12.823 -3.470
135 1H2* C 80 1H2* C 80 11.713 14.720 -4.605
136 2H2* C 80 2H2* C 80 10.630 16.039 -4.862
137 1H5* G 81 1H5* G 81 7.593 16.980 -6.842
138 2H5* G 81 2H5* G 81 8.149 18.613 -7.041
139 H4* G 81 H4* G 81 6.340 18.455 -5.376
140 H3* G 81 H3* G 81 8.651 20.066 -5.153
141 H1* G 81 H1* G 81 6.791 18.415 -2.499
142 H8 G 81 H8 G 81 10.246 17.118 -2.184
143 H1 G 81 H1 G 81 6.004 14.649 1.967
144 1H2 G 81 1H2 G 81 3.805 16.224 -0.091
145 2H2 G 81 2H2 G 81 3.998 15.273 1.374
146 H3T G 81 H3T G 81 6.493 20.810 -4.996
147 1H2* G 81 1H2* G 81 9.606 18.547 -3.643
148 2H2* G 81 2H2* G 81 8.879 19.745 -2.548
149 1H5* C 82 1H5* C 82 1.300 12.241 8.784
150 2H5* C 82 2H5* C 82 -0.016 11.146 8.188
151 H4* C 82 H4* C 82 0.075 13.534 7.280
152 H3* C 82 H3* C 82 -0.571 11.238 5.702
153 H1* C 82 H1* C 82 1.655 13.969 4.510
154 1H4 C 82 1H4 C 82 8.002 11.997 4.581
155 2H4 C 82 2H4 C 82 7.833 13.213 3.277
156 H5 C 82 H5 C 82 6.099 11.262 5.958
157 H6 C 82 H6 C 82 3.661 11.521 6.170
158 H5T C 82 H5T C 82 1.857 9.952 8.245
159 1H2* C 82 1H2* C 82 1.720 10.991 4.820
160 2H2* C 82 2H2* C 82 0.874 11.955 3.633
161 1H5* G 83 1H5* G 83 -1.248 14.512 1.970
162 2H5* G 83 2H5* G 83 -2.839 13.866 1.695
163 H4* G 83 H4* G 83 -1.826 13.649 -0.427
164 H3* G 83 H3* G 83 -2.562 11.164 0.786
165 H1* G 83 H1* G 83 0.683 11.573 -1.100
166 H8 G 83 H8 G 83 1.433 10.484 2.298
167 H1 G 83 H1 G 83 6.434 13.036 -0.940
168 1H2 G 83 1H2 G 83 3.853 14.371 -2.829
169 2H2 G 83 2H2 G 83 5.568 14.467 -2.544
170 1H2* G 83 1H2* G 83 -0.460 10.697 1.558
171 2H2* G 83 2H2* G 83 -0.348 9.981 -0.153
172 1H5* G 84 1H5* G 84 -1.535 12.715 -3.451
173 2H5* G 84 2H5* G 84 -2.638 11.632 -4.395
174 H4* G 84 H4* G 84 -0.902 12.628 -5.757
175 H3* G 84 H3* G 84 -1.812 10.050 -5.842
176 H1* G 84 H1* G 84 2.071 10.549 -5.799
177 H8 G 84 H8 G 84 0.448 8.995 -2.696
178 H1 G 84 H1 G 84 6.807 9.913 -2.159
179 1H2 G 84 1H2 G 84 6.392 11.613 -5.147
180 2H2 G 84 2H2 G 84 7.481 10.648 -4.164
181 1H2* G 84 1H2* G 84 -0.250 8.948 -4.742
182 2H2* G 84 2H2* G 84 0.711 8.780 -6.204
183 1H5* G 85 1H5* G 85 1.802 10.330 -8.727
184 2H5* G 85 2H5* G 85 1.257 9.564 -10.306
185 H4* G 85 H4* G 85 3.396 8.754 -9.963
186 H3* G 85 H3* G 85 1.233 7.053 -10.367
187 H1* G 85 H1* G 85 4.156 6.447 -8.109
188 H8 G 85 H8 G 85 1.113 6.456 -5.772
189 H1 G 85 H1 G 85 6.799 6.577 -2.822
190 1H2 G 85 1H2 G 85 8.022 7.189 -5.949
191 2H2 G 85 2H2 G 85 8.469 6.953 -4.306
192 1H2* G 85 1H2* G 85 1.131 6.659 -7.933
193 2H2* G 85 2H2* G 85 2.028 5.325 -8.686
194 1H5* G 86 1H5* G 86 5.547 7.220 -10.878
195 2H5* G 86 2H5* G 86 5.580 7.894 -12.472
196 H4* G 86 H4* G 86 7.795 7.165 -12.376
197 H3* G 86 H3* G 86 6.684 5.068 -13.675
198 H1* G 86 H1* G 86 8.180 4.195 -10.142
199 H8 G 86 H8 G 86 4.528 4.400 -10.708
200 H1 G 86 H1 G 86 6.234 3.108 -4.671
201 1H2 G 86 1H2 G 86 9.128 4.345 -5.670
202 2H2 G 86 2H2 G 86 8.223 3.742 -4.279
203 1H2* G 86 1H2* G 86 5.969 3.709 -12.108
204 2H2* G 86 2H2* G 86 7.770 3.224 -11.952
205 1H5* A 87 1H5* A 87 10.885 4.214 -11.624
206 2H5* A 87 2H5* A 87 11.855 3.117 -12.733
207 H4* A 87 H4* A 87 11.945 2.324 -10.311
208 H3* A 87 H3* A 87 11.366 0.573 -12.478
209 H1* A 87 H1* A 87 10.042 0.625 -8.976
210 H8 A 87 H8 A 87 7.213 1.001 -11.575
211 1H6 A 87 1H6 A 87 3.629 0.164 -6.614
212 2H6 A 87 2H6 A 87 3.585 0.363 -8.354
213 H2 A 87 H2 A 87 7.717 0.373 -5.239
214 1H2* A 87 1H2* A 87 9.232 0.462 -11.914
215 2H2* A 87 2H2* A 87 9.824 -0.870 -10.934
216 1H5* T 88 1H5* T 88 12.464 -0.094 -8.083
217 2H5* T 88 2H5* T 88 13.677 -1.310 -8.111
218 H4* T 88 H4* T 88 12.475 -1.074 -5.889
219 H3* T 88 H3* T 88 13.100 -3.609 -7.163
220 1H2* T 88 1H2* T 88 11.051 -4.148 -8.035
221 2H2* T 88 2H2* T 88 10.933 -4.769 -6.486
222 H1* T 88 H1* T 88 9.887 -2.893 -5.550
223 H3 T 88 H3 T 88 5.466 -2.921 -6.738
224 1H5M T 88 1H5M T 88 8.506 -2.604 -11.124
225 2H5M T 88 2H5M T 88 6.911 -3.586 -11.280
226 3H5M T 88 3H5M T 88 6.840 -1.898 -11.124
227 H6 T 88 H6 T 88 9.611 -2.978 -9.236
228 1H5* T 89 1H5* T 89 10.838 -3.380 -3.446
229 2H5* T 89 2H5* T 89 11.881 -3.937 -2.230
230 H4* T 89 H4* T 89 9.775 -4.032 -1.290
231 H3* T 89 H3* T 89 10.816 -6.493 -1.575
232 1H2* T 89 1H2* T 89 9.999 -7.238 -3.392
233 2H2* T 89 2H2* T 89 8.585 -7.803 -2.448
234 H1* T 89 H1* T 89 7.392 -6.049 -2.523
235 H3 T 89 H3 T 89 4.718 -6.058 -6.115
236 1H5M T 89 1H5M T 89 8.912 -5.663 -8.723
237 2H5M T 89 2H5M T 89 9.898 -6.768 -7.804
238 3H5M T 89 3H5M T 89 8.577 -7.420 -8.564
239 H6 T 89 H6 T 89 9.472 -6.401 -5.535
240 1H5* A 90 1H5* A 90 6.638 -6.406 -0.116
241 2H5* A 90 2H5* A 90 6.139 -7.369 1.312
242 H4* A 90 H4* A 90 4.377 -7.562 -0.220
243 H3* A 90 H3* A 90 5.923 -9.833 0.789
244 H1* A 90 H1* A 90 3.941 -9.202 -2.248
245 H8 A 90 H8 A 90 7.515 -10.026 -3.446
246 1H6 A 90 1H6 A 90 4.824 -9.564 -9.121
247 2H6 A 90 2H6 A 90 6.374 -9.877 -8.365
248 H2 A 90 H2 A 90 1.896 -8.622 -6.204
249 1H2* A 90 1H2* A 90 6.690 -10.311 -1.266
250 2H2* A 90 2H2* A 90 5.134 -11.173 -1.456
251 1H5* G 91 1H5* G 91 1.488 -10.062 0.504
252 2H5* G 91 2H5* G 91 0.704 -11.227 1.634
253 H4* G 91 H4* G 91 -0.684 -10.665 -0.061
254 H3* G 91 H3* G 91 -0.565 -13.245 0.502
255 H1* G 91 H1* G 91 -0.488 -12.273 -3.117
256 H8 G 91 H8 G 91 3.322 -12.562 -2.137
257 H1 G 91 H1 G 91 1.868 -11.887 -8.347
258 1H2 G 91 1H2 G 91 -1.357 -11.285 -6.947
259 2H2 G 91 2H2 G 91 -0.366 -11.117 -8.404
260 1H2* G 91 1H2* G 91 1.244 -13.728 -1.107
261 2H2* G 91 2H2* G 91 -0.225 -14.315 -1.946
262 1H5* A 92 1H5* A 92 -3.985 -11.765 -2.627
263 2H5* A 92 2H5* A 92 -5.337 -12.290 -1.627
264 H4* A 92 H4* A 92 -5.972 -11.829 -4.019
265 H3* A 92 H3* A 92 -6.756 -13.994 -2.791
266 H1* A 92 H1* A 92 -4.832 -14.572 -6.074
267 H8 A 92 H8 A 92 -2.524 -15.461 -3.207
268 1H6 A 92 1H6 A 92 1.999 -15.339 -7.513
269 2H6 A 92 2H6 A 92 1.524 -16.111 -5.980
270 H2 A 92 H2 A 92 -1.567 -13.693 -9.263
271 1H2* A 92 1H2* A 92 -4.736 -15.501 -3.170
272 2H2* A 92 2H2* A 92 -5.777 -15.956 -4.558
273 1H5* G 93 1H5* G 93 -6.558 -14.261 -7.442
274 2H5* G 93 2H5* G 93 -8.079 -14.824 -8.127
275 H4* G 93 H4* G 93 -6.640 -16.094 -9.406
276 H3* G 93 H3* G 93 -8.028 -17.614 -7.478
277 H1* G 93 H1* G 93 -4.904 -17.827 -9.409
278 H8 G 93 H8 G 93 -4.246 -18.323 -5.831
279 H1 G 93 H1 G 93 0.957 -18.860 -9.648
280 1H2 G 93 1H2 G 93 -1.373 -18.335 -12.132
281 2H2 G 93 2H2 G 93 0.274 -18.691 -11.663
282 1H2* G 93 1H2* G 93 -6.081 -18.637 -6.648
283 2H2* G 93 2H2* G 93 -6.106 -19.649 -8.089
284 1H5* C 94 1H5* C 94 -6.587 -18.867 -11.309
285 2H5* C 94 2H5* C 94 -7.836 -19.942 -12.262
286 H4* C 94 H4* C 94 -5.675 -20.533 -13.097
287 H3* C 94 H3* C 94 -7.339 -22.479 -11.795
288 H1* C 94 H1* C 94 -3.724 -22.178 -11.775
289 1H4 C 94 1H4 C 94 -1.096 -21.561 -5.663
290 2H4 C 94 2H4 C 94 0.157 -21.537 -6.832
291 H5 C 94 H5 C 94 -3.501 -21.297 -6.491
292 H6 C 94 H6 C 94 -4.836 -21.495 -8.370
293 H3T C 94 H3T C 94 -6.545 -22.662 -13.829
294 1H2* C 94 1H2* C 94 -6.164 -22.498 -9.866
295 2H2* C 94 2H2* C 94 -5.366 -23.804 -10.675
296 1H GLY 1 1H GLY 1 8.650 -5.819 5.240
297 2H GLY 1 2H GLY 1 8.525 -6.523 3.659
298 3H GLY 1 3H GLY 1 9.683 -6.912 4.633
299 1HA GLY 1 1HA GLY 1 8.155 -7.709 6.249
300 2HA GLY 1 2HA GLY 1 6.846 -7.187 5.114
301 HA PRO 2 HA PRO 2 9.382 -11.521 4.144
302 1HB PRO 2 1HB PRO 2 8.929 -12.439 6.882
303 2HB PRO 2 2HB PRO 2 10.148 -12.793 5.622
304 1HG PRO 2 1HG PRO 2 10.924 -11.177 7.671
305 2HG PRO 2 2HG PRO 2 11.450 -10.818 6.013
306 1HD PRO 2 1HD PRO 2 8.880 -9.701 7.381
307 2HD PRO 2 2HD PRO 2 10.186 -8.744 6.571
308 H ARG 3 H ARG 3 6.787 -11.294 6.557
309 HA ARG 3 HA ARG 3 4.802 -12.327 4.588
310 1HB ARG 3 1HB ARG 3 5.690 -14.079 6.044
311 2HB ARG 3 2HB ARG 3 5.444 -12.966 7.454
312 1HG ARG 3 1HG ARG 3 3.130 -13.608 5.745
313 2HG ARG 3 2HG ARG 3 3.739 -14.982 6.645
314 1HD ARG 3 1HD ARG 3 2.973 -12.315 7.833
315 2HD ARG 3 2HD ARG 3 1.757 -13.453 7.615
316 HE ARG 3 HE ARG 3 2.957 -14.903 9.372
317 1HH1 ARG 3 2HH1 ARG 3 4.238 -11.658 8.864
318 2HH1 ARG 3 1HH1 ARG 3 4.941 -11.521 10.477
319 1HH2 ARG 3 2HH2 ARG 3 3.705 -14.523 11.685
320 2HH2 ARG 3 1HH2 ARG 3 4.267 -12.939 12.027
321 H ARG 4 H ARG 4 3.162 -10.849 4.392
322 HA ARG 4 HA ARG 4 2.644 -9.075 6.769
323 1HB ARG 4 1HB ARG 4 2.987 -7.081 5.359
324 2HB ARG 4 2HB ARG 4 4.383 -8.121 5.751
325 1HG ARG 4 1HG ARG 4 4.817 -7.533 3.477
326 2HG ARG 4 2HG ARG 4 4.342 -9.082 3.389
327 1HD ARG 4 1HD ARG 4 3.595 -6.930 1.960
328 2HD ARG 4 2HD ARG 4 2.659 -8.373 1.929
329 HE ARG 4 HE ARG 4 2.074 -5.959 3.595
330 1HH1 ARG 4 2HH1 ARG 4 0.712 -8.809 2.184
331 2HH1 ARG 4 1HH1 ARG 4 -0.660 -7.967 1.528
332 1HH2 ARG 4 2HH2 ARG 4 0.007 -4.946 2.898
333 2HH2 ARG 4 1HH2 ARG 4 -1.057 -6.050 2.114
334 H THR 5 H THR 5 0.660 -8.119 6.839
335 HA THR 5 HA THR 5 -1.278 -9.122 5.034
336 HB THR 5 HB THR 5 -2.727 -8.606 7.145
337 HG1 THR 5 HG1 THR 5 -1.652 -8.531 9.048
338 1HG2 THR 5 1HG2 THR 5 -1.988 -11.073 6.376
339 2HG2 THR 5 2HG2 THR 5 -2.413 -10.737 8.065
340 3HG2 THR 5 3HG2 THR 5 -0.754 -10.809 7.614
341 H ARG 6 H ARG 6 -3.333 -8.130 5.073
342 HA ARG 6 HA ARG 6 -3.549 -5.362 5.779
343 1HB ARG 6 1HB ARG 6 -2.748 -4.725 3.806
344 2HB ARG 6 2HB ARG 6 -3.510 -6.212 2.982
345 1HG ARG 6 1HG ARG 6 -5.552 -4.244 3.851
346 2HG ARG 6 2HG ARG 6 -4.395 -3.371 3.014
347 1HD ARG 6 1HD ARG 6 -6.210 -4.100 1.611
348 2HD ARG 6 2HD ARG 6 -4.693 -4.804 1.063
349 HE ARG 6 HE ARG 6 -6.824 -6.277 2.571
350 1HH1 ARG 6 2HH1 ARG 6 -5.192 -6.064 -0.430
351 2HH1 ARG 6 1HH1 ARG 6 -4.967 -7.769 -0.587
352 1HH2 ARG 6 2HH2 ARG 6 -6.405 -8.379 2.485
353 2HH2 ARG 6 1HH2 ARG 6 -6.082 -9.161 0.952
354 H THR 7 H THR 7 -5.554 -5.100 6.487
355 HA THR 7 HA THR 7 -7.901 -6.589 6.771
356 HB THR 7 HB THR 7 -7.582 -3.686 6.311
357 HG1 THR 7 HG1 THR 7 -6.728 -4.714 8.071
358 1HG2 THR 7 1HG2 THR 7 -9.760 -3.384 7.427
359 2HG2 THR 7 2HG2 THR 7 -9.996 -5.188 7.379
360 3HG2 THR 7 3HG2 THR 7 -10.033 -4.260 5.854
361 H THR 8 H THR 8 -9.552 -7.340 5.631
362 HA THR 8 HA THR 8 -9.183 -7.216 2.642
363 HB THR 8 HB THR 8 -10.358 -9.496 4.326
364 HG1 THR 8 HG1 THR 8 -8.273 -9.312 4.667
365 1HG2 THR 8 1HG2 THR 8 -10.073 -10.637 2.135
366 2HG2 THR 8 2HG2 THR 8 -9.882 -9.121 1.264
367 3HG2 THR 8 3HG2 THR 8 -11.409 -9.455 2.073
368 H PHE 9 H PHE 9 -10.488 -5.668 1.830
369 HA PHE 9 HA PHE 9 -12.653 -4.492 3.003
370 1HB PHE 9 1HB PHE 9 -12.335 -5.145 0.118
371 2HB PHE 9 2HB PHE 9 -13.208 -3.745 0.912
372 HD1 PHE 9 HD1 PHE 9 -12.018 -1.981 2.067
373 HD2 PHE 9 HD2 PHE 9 -9.864 -4.832 -0.274
374 HE1 PHE 9 HE1 PHE 9 -10.286 -0.380 1.986
375 HE2 PHE 9 HE2 PHE 9 -7.926 -3.330 -0.331
376 HZ PHE 9 HZ PHE 9 -8.035 -1.046 0.606
377 H THR 10 H THR 10 -15.005 -4.593 2.761
378 HA THR 10 HA THR 10 -16.109 -7.049 1.383
379 HB THR 10 HB THR 10 -17.959 -7.048 2.768
380 HG1 THR 10 HG1 THR 10 -18.452 -5.723 4.249
381 1HG2 THR 10 1HG2 THR 10 -16.882 -7.380 5.172
382 2HG2 THR 10 2HG2 THR 10 -15.345 -7.015 4.199
383 3HG2 THR 10 3HG2 THR 10 -16.299 -8.432 3.899
384 H SER 11 H SER 11 -18.125 -6.765 0.578
385 HA SER 11 HA SER 11 -18.544 -4.948 -1.413
386 1HB SER 11 1HB SER 11 -20.884 -6.037 0.065
387 2HB SER 11 2HB SER 11 -20.647 -5.544 -1.545
388 HG SER 11 HG SER 11 -20.372 -7.920 -0.834
389 H SER 12 H SER 12 -19.989 -4.512 1.919
390 HA SER 12 HA SER 12 -21.087 -1.924 1.305
391 1HB SER 12 1HB SER 12 -20.802 -3.507 3.897
392 2HB SER 12 2HB SER 12 -21.338 -1.835 3.909
393 HG SER 12 HG SER 12 -22.628 -3.797 2.600
394 H GLN 13 H GLN 13 -17.897 -2.908 2.394
395 HA GLN 13 HA GLN 13 -17.133 -0.089 3.387
396 1HB GLN 13 1HB GLN 13 -15.534 -2.454 2.592
397 2HB GLN 13 2HB GLN 13 -14.902 -0.891 3.298
398 1HG GLN 13 1HG GLN 13 -16.361 -1.287 5.199
399 2HG GLN 13 2HG GLN 13 -16.727 -2.888 4.404
400 1HE2 GLN 13 1HE2 GLN 13 -14.850 -1.396 6.843
401 2HE2 GLN 13 2HE2 GLN 13 -13.521 -2.449 6.739
402 H ILE 14 H ILE 14 -16.495 -2.072 0.467
403 HA ILE 14 HA ILE 14 -15.476 0.209 -0.860
404 HB ILE 14 HB ILE 14 -16.819 -2.374 -2.076
405 1HG1 ILE 14 1HG1 ILE 14 -13.903 -1.654 -1.819
406 2HG1 ILE 14 2HG1 ILE 14 -14.668 -2.585 -0.621
407 1HG2 ILE 14 1HG2 ILE 14 -15.358 -0.134 -3.313
408 2HG2 ILE 14 2HG2 ILE 14 -15.554 -1.739 -4.091
409 3HG2 ILE 14 3HG2 ILE 14 -17.008 -0.848 -3.707
410 1HD1 ILE 14 1HD1 ILE 14 -15.484 -4.228 -2.211
411 2HD1 ILE 14 2HD1 ILE 14 -14.279 -3.565 -3.382
412 3HD1 ILE 14 3HD1 ILE 14 -13.799 -4.208 -1.793
413 H ALA 15 H ALA 15 -18.835 -0.699 -0.453
414 HA ALA 15 HA ALA 15 -20.004 1.133 -2.331
415 1HB ALA 15 1HB ALA 15 -21.224 0.422 0.289
416 2HB ALA 15 2HB ALA 15 -22.169 0.814 -1.100
417 3HB ALA 15 3HB ALA 15 -21.185 -0.621 -1.261
418 H GLU 16 H GLU 16 -18.925 1.630 1.105
419 HA GLU 16 HA GLU 16 -20.080 4.158 1.536
420 1HB GLU 16 1HB GLU 16 -17.726 2.698 2.801
421 2HB GLU 16 2HB GLU 16 -18.183 4.358 3.201
422 1HG GLU 16 1HG GLU 16 -19.621 1.722 3.801
423 2HG GLU 16 2HG GLU 16 -18.971 3.009 4.874
424 H LEU 17 H LEU 17 -17.000 2.794 0.611
425 HA LEU 17 HA LEU 17 -15.242 5.017 0.826
426 1HB LEU 17 1HB LEU 17 -15.183 2.421 -0.747
427 2HB LEU 17 2HB LEU 17 -13.824 3.576 -0.778
428 HG LEU 17 HG LEU 17 -14.663 2.816 1.768
429 1HD1 LEU 17 1HD1 LEU 17 -12.689 1.318 2.043
430 2HD1 LEU 17 2HD1 LEU 17 -12.338 1.519 0.407
431 3HD1 LEU 17 3HD1 LEU 17 -13.893 0.639 0.875
432 1HD2 LEU 17 1HD2 LEU 17 -12.065 3.942 0.467
433 2HD2 LEU 17 2HD2 LEU 17 -12.169 3.523 2.101
434 3HD2 LEU 17 3HD2 LEU 17 -13.276 4.761 1.560
435 H GLU 18 H GLU 18 -16.870 3.559 -2.024
436 HA GLU 18 HA GLU 18 -16.684 5.464 -4.027
437 1HB GLU 18 1HB GLU 18 -19.151 3.888 -3.395
438 2HB GLU 18 2HB GLU 18 -18.893 4.736 -4.857
439 1HG GLU 18 1HG GLU 18 -16.819 2.607 -4.141
440 2HG GLU 18 2HG GLU 18 -18.307 2.147 -4.930
441 H GLN 19 H GLN 19 -19.514 5.385 -1.773
442 HA GLN 19 HA GLN 19 -20.619 7.709 -2.649
443 1HB GLN 19 1HB GLN 19 -20.682 6.420 0.020
444 2HB GLN 19 2HB GLN 19 -21.665 7.934 -0.244
445 1HG GLN 19 1HG GLN 19 -22.082 5.385 -1.835
446 2HG GLN 19 2HG GLN 19 -23.126 6.023 -0.497
447 1HE2 GLN 19 1HE2 GLN 19 -22.519 6.185 -3.950
448 2HE2 GLN 19 2HE2 GLN 19 -23.667 7.412 -4.209
449 H HIS 20 H HIS 20 -18.074 7.649 -0.071
450 HA HIS 20 HA HIS 20 -18.229 10.603 0.153
451 1HB HIS 20 1HB HIS 20 -16.395 8.681 1.497
452 2HB HIS 20 2HB HIS 20 -16.434 10.336 1.744
453 HD1 HIS 20 HD1 HIS 20 -18.983 11.252 2.549
454 HD2 HIS 20 HD2 HIS 20 -18.319 7.155 2.932
455 HE1 HIS 20 HE1 HIS 20 -21.034 10.296 3.882
456 H PHE 21 H PHE 21 -15.928 8.246 -1.427
457 HA PHE 21 HA PHE 21 -14.219 9.964 -2.645
458 1HB PHE 21 1HB PHE 21 -13.806 7.865 -3.256
459 2HB PHE 21 2HB PHE 21 -15.456 7.332 -3.523
460 HD1 PHE 21 HD1 PHE 21 -16.747 7.825 -5.498
461 HD2 PHE 21 HD2 PHE 21 -12.525 8.902 -5.233
462 HE1 PHE 21 HE1 PHE 21 -16.475 7.884 -8.111
463 HE2 PHE 21 HE2 PHE 21 -12.321 8.708 -7.690
464 HZ PHE 21 HZ PHE 21 -14.331 8.285 -9.041
465 H LEU 22 H LEU 22 -17.576 9.549 -3.653
466 HA LEU 22 HA LEU 22 -17.733 11.135 -5.905
467 1HB LEU 22 1HB LEU 22 -19.913 11.177 -3.787
468 2HB LEU 22 2HB LEU 22 -20.093 11.573 -5.390
469 HG LEU 22 HG LEU 22 -19.434 8.783 -4.490
470 1HD1 LEU 22 1HD1 LEU 22 -21.539 9.169 -3.724
471 2HD1 LEU 22 2HD1 LEU 22 -21.829 8.380 -5.241
472 3HD1 LEU 22 3HD1 LEU 22 -22.037 10.116 -5.120
473 1HD2 LEU 22 1HD2 LEU 22 -20.405 9.918 -7.270
474 2HD2 LEU 22 2HD2 LEU 22 -20.049 8.242 -7.011
475 3HD2 LEU 22 3HD2 LEU 22 -18.731 9.386 -6.959
476 H GLN 23 H GLN 23 -17.108 12.265 -2.614
477 HA GLN 23 HA GLN 23 -17.458 15.072 -3.262
478 1HB GLN 23 1HB GLN 23 -16.477 13.653 -0.782
479 2HB GLN 23 2HB GLN 23 -17.108 15.435 -0.945
480 1HG GLN 23 1HG GLN 23 -18.554 12.765 -1.051
481 2HG GLN 23 2HG GLN 23 -18.482 13.976 0.212
482 1HE2 GLN 23 1HE2 GLN 23 -20.369 13.090 -2.537
483 2HE2 GLN 23 2HE2 GLN 23 -20.870 14.787 -2.819
484 H GLY 24 H GLY 24 -14.919 12.863 -3.494
485 1HA GLY 24 1HA GLY 24 -12.947 14.657 -4.642
486 2HA GLY 24 2HA GLY 24 -12.474 14.367 -2.969
487 H ARG 25 H ARG 25 -11.587 13.621 -5.781
488 HA ARG 25 HA ARG 25 -11.911 10.770 -6.083
489 1HB ARG 25 1HB ARG 25 -9.850 12.548 -7.561
490 2HB ARG 25 2HB ARG 25 -10.461 10.927 -8.126
491 1HG ARG 25 1HG ARG 25 -12.678 11.511 -8.447
492 2HG ARG 25 2HG ARG 25 -12.550 13.006 -7.699
493 1HD ARG 25 1HD ARG 25 -12.467 13.296 -10.073
494 2HD ARG 25 2HD ARG 25 -10.767 13.588 -9.508
495 HE ARG 25 HE ARG 25 -12.032 11.413 -11.081
496 1HH1 ARG 25 2HH1 ARG 25 -9.106 12.903 -9.912
497 2HH1 ARG 25 1HH1 ARG 25 -8.189 12.099 -11.072
498 1HH2 ARG 25 2HH2 ARG 25 -10.694 10.261 -12.369
499 2HH2 ARG 25 1HH2 ARG 25 -8.980 10.310 -12.096
500 H TYR 26 H TYR 26 -9.544 12.595 -4.393
501 HA TYR 26 HA TYR 26 -8.070 10.196 -3.408
502 1HB TYR 26 1HB TYR 26 -6.010 10.973 -3.641
503 2HB TYR 26 2HB TYR 26 -6.760 11.038 -5.186
504 HD1 TYR 26 HD1 TYR 26 -4.407 12.439 -3.414
505 HD2 TYR 26 HD2 TYR 26 -8.022 13.894 -5.260
506 HE1 TYR 26 HE1 TYR 26 -3.351 14.578 -3.775
507 HE2 TYR 26 HE2 TYR 26 -6.945 16.151 -5.457
508 HH TYR 26 HH TYR 26 -3.856 16.975 -4.131
509 H LEU 27 H LEU 27 -6.762 10.656 -1.404
510 HA LEU 27 HA LEU 27 -8.448 11.863 0.463
511 1HB LEU 27 1HB LEU 27 -5.931 10.280 0.795
512 2HB LEU 27 2HB LEU 27 -7.014 10.668 2.048
513 HG LEU 27 HG LEU 27 -7.288 8.526 1.742
514 1HD1 LEU 27 1HD1 LEU 27 -9.359 9.877 1.892
515 2HD1 LEU 27 2HD1 LEU 27 -9.618 8.242 1.174
516 3HD1 LEU 27 3HD1 LEU 27 -9.600 9.781 0.181
517 1HD2 LEU 27 1HD2 LEU 27 -6.300 8.471 -0.500
518 2HD2 LEU 27 2HD2 LEU 27 -7.850 8.869 -1.253
519 3HD2 LEU 27 3HD2 LEU 27 -7.603 7.405 -0.148
520 H THR 28 H THR 28 -7.798 12.848 2.323
521 HA THR 28 HA THR 28 -5.058 13.895 2.661
522 HB THR 28 HB THR 28 -6.214 15.737 4.038
523 HG1 THR 28 HG1 THR 28 -8.459 15.937 3.388
524 1HG2 THR 28 1HG2 THR 28 -5.502 16.226 1.554
525 2HG2 THR 28 2HG2 THR 28 -6.684 17.262 2.355
526 3HG2 THR 28 3HG2 THR 28 -7.298 16.088 1.187
527 H ALA 29 H ALA 29 -4.847 13.892 5.187
528 HA ALA 29 HA ALA 29 -5.726 11.676 6.562
529 1HB ALA 29 1HB ALA 29 -4.800 12.707 8.479
530 2HB ALA 29 2HB ALA 29 -3.926 13.470 6.964
531 3HB ALA 29 3HB ALA 29 -5.029 14.313 8.001
532 HA PRO 30 HA PRO 30 -9.628 13.742 8.472
533 1HB PRO 30 1HB PRO 30 -10.983 15.622 6.793
534 2HB PRO 30 2HB PRO 30 -10.123 15.999 8.332
535 1HG PRO 30 1HG PRO 30 -8.946 16.210 5.518
536 2HG PRO 30 2HG PRO 30 -8.631 17.191 6.995
537 1HD PRO 30 1HD PRO 30 -6.727 15.302 6.140
538 2HD PRO 30 2HD PRO 30 -6.977 15.692 7.806
539 H ARG 31 H ARG 31 -9.415 13.662 4.895
540 HA ARG 31 HA ARG 31 -11.888 12.201 4.613
541 1HB ARG 31 1HB ARG 31 -9.529 12.731 2.832
542 2HB ARG 31 2HB ARG 31 -10.515 11.352 2.396
543 1HG ARG 31 1HG ARG 31 -10.881 13.315 1.107
544 2HG ARG 31 2HG ARG 31 -12.400 12.788 1.782
545 1HD ARG 31 1HD ARG 31 -12.366 14.698 3.398
546 2HD ARG 31 2HD ARG 31 -10.658 14.888 3.138
547 HE ARG 31 HE ARG 31 -11.223 15.410 0.707
548 1HH1 ARG 31 2HH1 ARG 31 -13.638 16.305 3.188
549 2HH1 ARG 31 1HH1 ARG 31 -14.462 17.387 2.030
550 1HH2 ARG 31 2HH2 ARG 31 -12.060 17.007 -0.388
551 2HH2 ARG 31 1HH2 ARG 31 -13.604 17.644 0.083
552 H LEU 32 H LEU 32 -8.447 11.004 4.522
553 HA LEU 32 HA LEU 32 -8.956 8.212 4.385
554 1HB LEU 32 1HB LEU 32 -6.838 9.656 4.261
555 2HB LEU 32 2HB LEU 32 -6.947 9.695 6.126
556 HG LEU 32 HG LEU 32 -6.834 7.174 5.927
557 1HD1 LEU 32 1HD1 LEU 32 -5.793 8.229 3.197
558 2HD1 LEU 32 2HD1 LEU 32 -7.088 7.089 3.495
559 3HD1 LEU 32 3HD1 LEU 32 -5.430 6.577 3.794
560 1HD2 LEU 32 1HD2 LEU 32 -4.375 7.258 5.950
561 2HD2 LEU 32 2HD2 LEU 32 -5.129 8.593 6.957
562 3HD2 LEU 32 3HD2 LEU 32 -4.327 9.020 5.553
563 H ALA 33 H ALA 33 -8.866 10.353 7.431
564 HA ALA 33 HA ALA 33 -9.223 8.116 9.212
565 1HB ALA 33 1HB ALA 33 -9.613 10.051 10.804
566 2HB ALA 33 2HB ALA 33 -8.137 10.167 9.824
567 3HB ALA 33 3HB ALA 33 -9.564 11.200 9.502
568 H ASP 34 H ASP 34 -11.541 10.564 7.864
569 HA ASP 34 HA ASP 34 -13.631 9.774 9.566
570 1HB ASP 34 1HB ASP 34 -13.448 11.941 8.533
571 2HB ASP 34 2HB ASP 34 -13.587 11.276 6.870
572 H LEU 35 H LEU 35 -12.922 8.813 6.283
573 HA LEU 35 HA LEU 35 -14.982 6.829 6.167
574 1HB LEU 35 1HB LEU 35 -12.983 7.826 4.483
575 2HB LEU 35 2HB LEU 35 -12.726 6.104 4.575
576 HG LEU 35 HG LEU 35 -14.595 5.635 3.211
577 1HD1 LEU 35 1HD1 LEU 35 -16.293 7.138 2.718
578 2HD1 LEU 35 2HD1 LEU 35 -15.643 8.380 3.812
579 3HD1 LEU 35 3HD1 LEU 35 -16.364 6.802 4.463
580 1HD2 LEU 35 1HD2 LEU 35 -13.985 8.308 2.126
581 2HD2 LEU 35 2HD2 LEU 35 -14.004 6.762 1.255
582 3HD2 LEU 35 3HD2 LEU 35 -12.684 7.079 2.345
583 H SER 36 H SER 36 -11.654 6.639 7.344
584 HA SER 36 HA SER 36 -11.502 3.901 8.034
585 1HB SER 36 1HB SER 36 -9.491 5.399 8.177
586 2HB SER 36 2HB SER 36 -10.286 6.275 9.506
587 HG SER 36 HG SER 36 -9.807 3.503 9.772
588 H ALA 37 H ALA 37 -13.123 6.463 9.701
589 HA ALA 37 HA ALA 37 -13.809 4.833 12.024
590 1HB ALA 37 1HB ALA 37 -15.107 7.492 11.087
591 2HB ALA 37 2HB ALA 37 -14.998 6.850 12.753
592 3HB ALA 37 3HB ALA 37 -13.623 7.412 11.877
593 H LYS 38 H LYS 38 -15.630 6.129 9.251
594 HA LYS 38 HA LYS 38 -17.992 4.811 10.071
595 1HB LYS 38 1HB LYS 38 -17.392 6.270 7.388
596 2HB LYS 38 2HB LYS 38 -18.926 5.640 7.927
597 1HG LYS 38 1HG LYS 38 -19.014 6.815 9.937
598 2HG LYS 38 2HG LYS 38 -17.381 7.369 9.752
599 1HD LYS 38 1HD LYS 38 -19.805 7.977 8.078
600 2HD LYS 38 2HD LYS 38 -19.125 9.253 9.117
601 1HE LYS 38 1HE LYS 38 -16.979 9.036 7.607
602 2HE LYS 38 2HE LYS 38 -18.071 8.148 6.483
603 1HZ LYS 38 1HZ LYS 38 -18.681 10.750 7.403
604 2HZ LYS 38 2HZ LYS 38 -19.643 9.919 6.433
605 3HZ LYS 38 3HZ LYS 38 -18.057 10.474 5.962
606 H LEU 39 H LEU 39 -15.816 3.932 7.309
607 HA LEU 39 HA LEU 39 -17.242 1.467 6.528
608 1HB LEU 39 1HB LEU 39 -14.430 2.157 6.513
609 2HB LEU 39 2HB LEU 39 -15.112 0.916 5.486
610 HG LEU 39 HG LEU 39 -15.867 2.182 3.842
611 1HD1 LEU 39 1HD1 LEU 39 -16.220 4.518 3.745
612 2HD1 LEU 39 2HD1 LEU 39 -15.600 4.818 5.351
613 3HD1 LEU 39 3HD1 LEU 39 -17.208 4.013 5.047
614 1HD2 LEU 39 1HD2 LEU 39 -13.258 2.329 4.329
615 2HD2 LEU 39 2HD2 LEU 39 -13.641 3.936 5.150
616 3HD2 LEU 39 3HD2 LEU 39 -13.745 3.798 3.498
617 H ALA 40 H ALA 40 -15.086 2.329 9.330
618 HA ALA 40 HA ALA 40 -14.127 1.213 10.938
619 1HB ALA 40 1HB ALA 40 -15.195 -0.889 11.923
620 2HB ALA 40 2HB ALA 40 -16.505 0.123 11.242
621 3HB ALA 40 3HB ALA 40 -15.802 -1.323 10.410
622 H LEU 41 H LEU 41 -12.353 1.413 9.267
623 HA LEU 41 HA LEU 41 -10.801 -0.941 9.429
624 1HB LEU 41 1HB LEU 41 -10.245 -1.307 7.165
625 2HB LEU 41 2HB LEU 41 -11.847 -1.817 7.435
626 HG LEU 41 HG LEU 41 -12.758 -0.040 6.244
627 1HD1 LEU 41 1HD1 LEU 41 -9.981 1.060 6.200
628 2HD1 LEU 41 2HD1 LEU 41 -11.401 1.790 6.663
629 3HD1 LEU 41 3HD1 LEU 41 -11.303 1.439 4.917
630 1HD2 LEU 41 1HD2 LEU 41 -11.695 -0.428 4.019
631 2HD2 LEU 41 2HD2 LEU 41 -12.116 -1.902 4.981
632 3HD2 LEU 41 3HD2 LEU 41 -10.411 -1.327 4.835
633 H GLY 42 H GLY 42 -8.494 -0.763 8.599
634 1HA GLY 42 1HA GLY 42 -7.520 1.516 10.067
635 2HA GLY 42 2HA GLY 42 -6.549 0.504 9.017
636 H THR 43 H THR 43 -6.566 3.561 9.360
637 HA THR 43 HA THR 43 -7.540 5.047 7.129
638 HB THR 43 HB THR 43 -5.407 6.327 7.381
639 HG1 THR 43 HG1 THR 43 -5.287 4.613 9.536
640 1HG2 THR 43 1HG2 THR 43 -7.232 7.266 8.046
641 2HG2 THR 43 2HG2 THR 43 -6.264 7.391 9.535
642 3HG2 THR 43 3HG2 THR 43 -7.604 6.131 9.309
643 H ALA 44 H ALA 44 -4.602 2.857 7.203
644 HA ALA 44 HA ALA 44 -3.607 3.917 4.715
645 1HB ALA 44 1HB ALA 44 -2.125 2.087 4.875
646 2HB ALA 44 2HB ALA 44 -2.528 2.623 6.536
647 3HB ALA 44 3HB ALA 44 -3.241 1.155 5.940
648 H GLN 45 H GLN 45 -5.895 1.202 5.408
649 HA GLN 45 HA GLN 45 -6.071 0.286 2.710
650 1HB GLN 45 1HB GLN 45 -7.989 0.472 5.098
651 2HB GLN 45 2HB GLN 45 -8.612 -0.147 3.680
652 1HG GLN 45 1HG GLN 45 -8.166 -1.957 5.017
653 2HG GLN 45 2HG GLN 45 -7.054 -2.159 3.693
654 1HE2 GLN 45 1HE2 GLN 45 -7.028 -0.244 6.805
655 2HE2 GLN 45 2HE2 GLN 45 -5.389 -0.866 7.253
656 H VAL 46 H VAL 46 -7.364 3.117 4.190
657 HA VAL 46 HA VAL 46 -9.396 3.532 2.116
658 HB VAL 46 HB VAL 46 -8.472 5.724 3.973
659 1HG1 VAL 46 1HG1 VAL 46 -10.629 6.640 3.519
660 2HG1 VAL 46 2HG1 VAL 46 -9.813 6.294 1.934
661 3HG1 VAL 46 3HG1 VAL 46 -11.151 5.271 2.706
662 1HG2 VAL 46 1HG2 VAL 46 -10.722 3.567 4.197
663 2HG2 VAL 46 2HG2 VAL 46 -9.402 3.968 5.396
664 3HG2 VAL 46 3HG2 VAL 46 -10.856 5.068 5.035
665 H LYS 47 H LYS 47 -6.127 4.964 2.741
666 HA LYS 47 HA LYS 47 -5.626 6.413 0.414
667 1HB LYS 47 1HB LYS 47 -4.224 5.133 2.699
668 2HB LYS 47 2HB LYS 47 -3.309 4.833 1.338
669 1HG LYS 47 1HG LYS 47 -2.701 7.089 0.985
670 2HG LYS 47 2HG LYS 47 -4.178 7.612 1.710
671 1HD LYS 47 1HD LYS 47 -3.259 6.796 3.947
672 2HD LYS 47 2HD LYS 47 -1.673 6.425 3.134
673 1HE LYS 47 1HE LYS 47 -1.684 8.718 2.293
674 2HE LYS 47 2HE LYS 47 -3.256 8.967 3.124
675 1HZ LYS 47 1HZ LYS 47 -1.965 9.876 4.641
676 2HZ LYS 47 2HZ LYS 47 -0.588 9.035 4.229
677 3HZ LYS 47 3HZ LYS 47 -1.608 8.253 5.071
678 H ILE 48 H ILE 48 -4.538 3.079 1.008
679 HA ILE 48 HA ILE 48 -3.948 2.594 -1.653
680 HB ILE 48 HB ILE 48 -4.743 0.601 0.482
681 1HG1 ILE 48 1HG1 ILE 48 -2.909 1.835 0.920
682 2HG1 ILE 48 2HG1 ILE 48 -2.279 0.194 0.504
683 1HG2 ILE 48 1HG2 ILE 48 -3.461 0.148 -2.264
684 2HG2 ILE 48 2HG2 ILE 48 -3.477 -1.124 -1.143
685 3HG2 ILE 48 3HG2 ILE 48 -4.946 -0.559 -1.922
686 1HD1 ILE 48 1HD1 ILE 48 -1.713 1.442 -1.800
687 2HD1 ILE 48 2HD1 ILE 48 -1.782 2.909 -0.903
688 3HD1 ILE 48 3HD1 ILE 48 -0.704 1.715 -0.271
689 H TRP 49 H TRP 49 -7.156 1.954 -0.374
690 HA TRP 49 HA TRP 49 -8.358 1.060 -2.787
691 1HB TRP 49 1HB TRP 49 -9.659 1.139 -0.709
692 2HB TRP 49 2HB TRP 49 -9.574 2.894 -0.665
693 HD1 TRP 49 HD1 TRP 49 -10.402 -0.050 -3.032
694 HE1 TRP 49 HE1 TRP 49 -12.483 0.252 -4.353
695 HE3 TRP 49 HE3 TRP 49 -11.170 4.461 -1.632
696 HZ2 TRP 49 HZ2 TRP 49 -14.385 2.495 -5.033
697 HZ3 TRP 49 HZ3 TRP 49 -13.111 5.936 -2.562
698 HH2 TRP 49 HH2 TRP 49 -14.577 4.988 -4.359
699 H PHE 50 H PHE 50 -8.694 4.461 -1.795
700 HA PHE 50 HA PHE 50 -9.519 5.331 -4.322
701 1HB PHE 50 1HB PHE 50 -7.763 6.793 -2.259
702 2HB PHE 50 2HB PHE 50 -8.333 7.622 -3.682
703 HD1 PHE 50 HD1 PHE 50 -9.962 9.266 -3.275
704 HD2 PHE 50 HD2 PHE 50 -9.989 5.677 -0.875
705 HE1 PHE 50 HE1 PHE 50 -11.685 10.194 -1.891
706 HE2 PHE 50 HE2 PHE 50 -11.818 6.513 0.442
707 HZ PHE 50 HZ PHE 50 -12.706 8.858 -0.101
708 H LYS 51 H LYS 51 -6.164 5.062 -3.087
709 HA LYS 51 HA LYS 51 -4.748 6.221 -5.299
710 1HB LYS 51 1HB LYS 51 -3.888 5.786 -2.944
711 2HB LYS 51 2HB LYS 51 -3.342 4.192 -3.581
712 1HG LYS 51 1HG LYS 51 -2.245 5.449 -5.365
713 2HG LYS 51 2HG LYS 51 -2.790 7.025 -4.724
714 1HD LYS 51 1HD LYS 51 -0.384 6.686 -3.764
715 2HD LYS 51 2HD LYS 51 -1.582 6.586 -2.546
716 1HE LYS 51 1HE LYS 51 -1.591 4.283 -2.558
717 2HE LYS 51 2HE LYS 51 -0.593 4.067 -3.971
718 1HZ LYS 51 1HZ LYS 51 1.301 4.786 -3.007
719 2HZ LYS 51 2HZ LYS 51 0.614 3.935 -1.876
720 3HZ LYS 51 3HZ LYS 51 0.585 5.530 -1.809
721 H ASN 52 H ASN 52 -5.289 2.623 -4.665
722 HA ASN 52 HA ASN 52 -4.397 2.028 -7.178
723 1HB ASN 52 1HB ASN 52 -4.938 -0.156 -6.632
724 2HB ASN 52 2HB ASN 52 -4.776 0.470 -5.119
725 1HD2 ASN 52 1HD2 ASN 52 -6.131 -0.769 -3.885
726 2HD2 ASN 52 2HD2 ASN 52 -7.838 -1.027 -4.231
727 H ARG 53 H ARG 53 -7.569 2.987 -6.201
728 HA ARG 53 HA ARG 53 -9.073 2.211 -8.649
729 1HB ARG 53 1HB ARG 53 -10.847 2.692 -7.793
730 2HB ARG 53 2HB ARG 53 -9.992 2.798 -6.228
731 1HG ARG 53 1HG ARG 53 -11.397 4.662 -6.263
732 2HG ARG 53 2HG ARG 53 -9.997 5.448 -6.689
733 1HD ARG 53 1HD ARG 53 -11.752 6.233 -8.186
734 2HD ARG 53 2HD ARG 53 -10.765 5.176 -9.109
735 HE ARG 53 HE ARG 53 -12.302 3.640 -9.296
736 1HH1 ARG 53 2HH1 ARG 53 -13.547 5.992 -6.746
737 2HH1 ARG 53 1HH1 ARG 53 -15.080 5.077 -6.818
738 1HH2 ARG 53 2HH2 ARG 53 -14.277 2.767 -9.081
739 2HH2 ARG 53 1HH2 ARG 53 -15.467 3.504 -8.063
740 H ARG 54 H ARG 54 -7.607 5.383 -7.736
741 HA ARG 54 HA ARG 54 -8.479 6.387 -10.344
742 1HB ARG 54 1HB ARG 54 -8.095 8.406 -9.599
743 2HB ARG 54 2HB ARG 54 -7.895 7.645 -8.091
744 1HG ARG 54 1HG ARG 54 -5.823 8.166 -10.095
745 2HG ARG 54 2HG ARG 54 -6.220 9.277 -8.728
746 1HD ARG 54 1HD ARG 54 -5.864 7.003 -7.414
747 2HD ARG 54 2HD ARG 54 -4.492 6.946 -8.565
748 HE ARG 54 HE ARG 54 -3.609 8.886 -7.405
749 1HH1 ARG 54 2HH1 ARG 54 -6.676 8.267 -6.072
750 2HH1 ARG 54 1HH1 ARG 54 -6.291 8.849 -4.493
751 1HH2 ARG 54 2HH2 ARG 54 -3.397 10.308 -5.739
752 2HH2 ARG 54 1HH2 ARG 54 -4.154 10.046 -4.297
753 H ARG 55 H ARG 55 -5.466 4.914 -9.203
754 HA ARG 55 HA ARG 55 -3.758 5.497 -11.431
755 1HB ARG 55 1HB ARG 55 -3.970 3.230 -9.437
756 2HB ARG 55 2HB ARG 55 -2.640 3.114 -10.573
757 1HG ARG 55 1HG ARG 55 -2.978 5.604 -8.807
758 2HG ARG 55 2HG ARG 55 -2.074 4.206 -8.430
759 1HD ARG 55 1HD ARG 55 -1.401 6.385 -10.318
760 2HD ARG 55 2HD ARG 55 -0.370 5.578 -9.123
761 HE ARG 55 HE ARG 55 -0.355 5.085 -11.765
762 1HH1 ARG 55 2HH1 ARG 55 -0.167 3.096 -8.766
763 2HH1 ARG 55 1HH1 ARG 55 0.937 2.067 -9.458
764 1HH2 ARG 55 2HH2 ARG 55 1.450 3.865 -12.290
765 2HH2 ARG 55 1HH2 ARG 55 1.606 2.308 -11.504
766 H ARG 56 H ARG 56 -5.935 2.680 -10.707
767 HA ARG 56 HA ARG 56 -5.592 1.276 -13.124
768 1HB ARG 56 1HB ARG 56 -6.421 0.307 -11.038
769 2HB ARG 56 2HB ARG 56 -7.825 1.319 -11.033
770 1HG ARG 56 1HG ARG 56 -8.531 0.218 -13.246
771 2HG ARG 56 2HG ARG 56 -7.071 -0.693 -13.317
772 1HD ARG 56 1HD ARG 56 -8.604 -2.218 -12.452
773 2HD ARG 56 2HD ARG 56 -7.622 -1.771 -10.947
774 HE ARG 56 HE ARG 56 -10.403 -1.367 -11.147
775 1HH1 ARG 56 2HH1 ARG 56 -7.537 -0.531 -9.280
776 2HH1 ARG 56 1HH1 ARG 56 -8.514 -0.063 -7.978
777 1HH2 ARG 56 2HH2 ARG 56 -11.474 -0.481 -9.745
778 2HH2 ARG 56 1HH2 ARG 56 -10.825 -0.204 -8.095
779 H HIS 57 H HIS 57 -8.153 3.400 -12.221
780 HA HIS 57 HA HIS 57 -9.922 3.594 -14.477
781 1HB HIS 57 1HB HIS 57 -10.477 4.723 -12.508
782 2HB HIS 57 2HB HIS 57 -9.076 5.779 -12.554
783 HD1 HIS 57 HD1 HIS 57 -11.596 5.051 -15.528
784 HD2 HIS 57 HD2 HIS 57 -9.788 8.069 -13.204
785 HE1 HIS 57 HE1 HIS 57 -12.101 7.263 -16.689
786 H LYS 58 H LYS 58 -6.978 5.541 -13.918
787 HA LYS 58 HA LYS 58 -7.041 6.630 -16.630
788 1HB LYS 58 1HB LYS 58 -4.934 7.828 -16.027
789 2HB LYS 58 2HB LYS 58 -6.227 8.026 -14.835
790 1HG LYS 58 1HG LYS 58 -5.130 6.590 -13.423
791 2HG LYS 58 2HG LYS 58 -3.824 6.186 -14.708
792 1HD LYS 58 1HD LYS 58 -2.830 8.287 -14.407
793 2HD LYS 58 2HD LYS 58 -4.282 9.137 -13.872
794 1HE LYS 58 1HE LYS 58 -4.095 8.038 -11.662
795 2HE LYS 58 2HE LYS 58 -2.777 7.063 -12.220
796 1HZ LYS 58 1HZ LYS 58 -1.304 8.881 -12.575
797 2HZ LYS 58 2HZ LYS 58 -1.885 9.141 -11.080
798 3HZ LYS 58 3HZ LYS 58 -2.512 9.940 -12.370
799 H ILE 59 H ILE 59 -4.912 4.201 -15.061
800 HA ILE 59 HA ILE 59 -3.480 3.490 -17.402
801 HB ILE 59 HB ILE 59 -4.309 1.865 -15.005
802 1HG1 ILE 59 1HG1 ILE 59 -1.436 2.763 -15.544
803 2HG1 ILE 59 2HG1 ILE 59 -2.592 3.867 -14.808
804 1HG2 ILE 59 1HG2 ILE 59 -2.517 0.062 -15.866
805 2HG2 ILE 59 2HG2 ILE 59 -3.961 0.328 -16.821
806 3HG2 ILE 59 3HG2 ILE 59 -2.498 1.126 -17.309
807 1HD1 ILE 59 1HD1 ILE 59 -1.367 1.399 -13.732
808 2HD1 ILE 59 2HD1 ILE 59 -1.512 3.024 -13.031
809 3HD1 ILE 59 3HD1 ILE 59 -2.980 1.902 -13.120
810 H GLN 60 H GLN 60 -6.620 2.042 -16.441
811 HA GLN 60 HA GLN 60 -6.749 0.397 -18.799
812 1HB GLN 60 1HB GLN 60 -8.846 1.599 -16.911
813 2HB GLN 60 2HB GLN 60 -9.324 0.686 -18.351
814 1HG GLN 60 1HG GLN 60 -7.722 -0.087 -15.792
815 2HG GLN 60 2HG GLN 60 -9.406 -0.536 -16.248
816 1HE2 GLN 60 1HE2 GLN 60 -7.898 -2.565 -15.508
817 2HE2 GLN 60 2HE2 GLN 60 -7.470 -3.611 -16.873
818 H SER 61 H SER 61 -7.537 3.793 -18.194
819 HA SER 61 HA SER 61 -8.725 4.153 -20.668
820 1HB SER 61 1HB SER 61 -7.746 6.276 -18.741
821 2HB SER 61 2HB SER 61 -8.674 6.700 -20.201
822 HG SER 61 HG SER 61 -9.395 5.657 -17.845
823 H ASP 62 H ASP 62 -5.456 4.282 -19.917
824 HA ASP 62 HA ASP 62 -4.704 5.307 -22.672
825 1HB ASP 62 1HB ASP 62 -3.163 6.009 -21.042
826 2HB ASP 62 2HB ASP 62 -2.998 4.419 -20.233
827 H GLN 63 H GLN 63 -4.304 2.090 -20.811
828 HA GLN 63 HA GLN 63 -3.367 0.959 -23.246
829 1HB GLN 63 1HB GLN 63 -2.940 -0.899 -21.969
830 2HB GLN 63 2HB GLN 63 -2.875 0.482 -20.762
831 1HG GLN 63 1HG GLN 63 -5.098 0.068 -20.017
832 2HG GLN 63 2HG GLN 63 -5.335 -1.257 -21.292
833 1HE2 GLN 63 1HE2 GLN 63 -6.160 -1.986 -18.856
834 2HE2 GLN 63 2HE2 GLN 63 -4.990 -3.099 -18.237
835 H HIS 64 H HIS 64 -6.518 1.658 -22.987
836 HA HIS 64 HA HIS 64 -7.244 -0.346 -25.031
837 1HB HIS 64 1HB HIS 64 -9.188 0.709 -22.931
838 2HB HIS 64 2HB HIS 64 -9.490 -0.481 -24.154
839 HD1 HIS 64 HD1 HIS 64 -7.847 -0.466 -20.752
840 HD2 HIS 64 HD2 HIS 64 -8.349 -2.721 -24.316
841 HE1 HIS 64 HE1 HIS 64 -7.214 -2.919 -20.228
842 H LYS 65 H LYS 65 -6.521 2.732 -24.738
843 HA LYS 65 HA LYS 65 -8.182 3.516 -27.078
844 1HB LYS 65 1HB LYS 65 -8.038 5.509 -24.777
845 2HB LYS 65 2HB LYS 65 -8.735 5.671 -26.339
846 1HG LYS 65 1HG LYS 65 -10.237 3.558 -25.725
847 2HG LYS 65 2HG LYS 65 -9.747 3.753 -24.060
848 1HD LYS 65 1HD LYS 65 -11.084 6.021 -25.597
849 2HD LYS 65 2HD LYS 65 -11.968 4.813 -24.726
850 1HE LYS 65 1HE LYS 65 -10.803 5.475 -22.586
851 2HE LYS 65 2HE LYS 65 -9.721 6.363 -23.562
852 1HZ LYS 65 1HZ LYS 65 -11.788 7.828 -24.152
853 2HZ LYS 65 2HZ LYS 65 -11.343 8.095 -22.679
854 3HZ LYS 65 3HZ LYS 65 -12.582 7.113 -22.829
855 H ASP 66 H ASP 66 -7.439 5.488 -28.040
856 HA ASP 66 HA ASP 66 -4.400 5.700 -28.271
857 1HB ASP 66 1HB ASP 66 -5.668 4.420 -30.075
858 2HB ASP 66 2HB ASP 66 -6.228 6.024 -30.638
859 H GLN 67 H GLN 67 -3.608 7.560 -28.732
860 HA GLN 67 HA GLN 67 -4.952 10.089 -29.644
861 1HB GLN 67 1HB GLN 67 -5.542 10.059 -27.366
862 2HB GLN 67 2HB GLN 67 -3.888 9.870 -26.763
863 1HG GLN 67 1HG GLN 67 -3.747 12.236 -28.349
864 2HG GLN 67 2HG GLN 67 -5.265 12.351 -27.427
865 1HE2 GLN 67 1HE2 GLN 67 -1.665 12.127 -26.804
866 2HE2 GLN 67 2HE2 GLN 67 -1.933 12.501 -25.096
867 H SER 68 H SER 68 -2.075 9.054 -27.890
868 HA SER 68 HA SER 68 -0.188 10.003 -30.122
869 1HB SER 68 1HB SER 68 0.067 11.117 -27.325
870 2HB SER 68 2HB SER 68 0.988 11.519 -28.783
871 HG SER 68 HG SER 68 -0.850 12.629 -29.697
Start of MODEL 3
1 1H5* G 69 1H5* G 69 6.720 -24.886 -10.930
2 2H5* G 69 2H5* G 69 8.435 -24.298 -11.104
3 H4* G 69 H4* G 69 7.022 -23.636 -12.982
4 H3* G 69 H3* G 69 8.590 -21.987 -11.761
5 H1* G 69 H1* G 69 4.848 -20.885 -12.425
6 H8 G 69 H8 G 69 5.561 -21.541 -8.683
7 H1 G 69 H1 G 69 -0.637 -21.516 -10.373
8 1H2 G 69 1H2 G 69 0.529 -21.623 -13.657
9 2H2 G 69 2H2 G 69 -0.859 -21.531 -12.640
10 H5T G 69 H5T G 69 8.012 -22.958 -9.325
11 1H2* G 69 1H2* G 69 6.888 -20.978 -10.312
12 2H2* G 69 2H2* G 69 6.715 -19.883 -11.543
13 1H5* C 70 1H5* C 70 5.941 -21.164 -15.303
14 2H5* C 70 2H5* C 70 6.785 -20.312 -16.585
15 H4* C 70 H4* C 70 4.389 -20.070 -16.777
16 H3* C 70 H3* C 70 5.860 -17.776 -16.877
17 H1* C 70 H1* C 70 2.518 -18.067 -14.900
18 1H4 C 70 1H4 C 70 3.865 -17.810 -8.394
19 2H4 C 70 2H4 C 70 2.145 -17.582 -8.839
20 H5 C 70 H5 C 70 5.575 -18.149 -10.347
21 H6 C 70 H6 C 70 5.597 -18.170 -12.759
22 1H2* C 70 1H2* C 70 5.341 -17.151 -14.524
23 2H2* C 70 2H2* C 70 4.074 -16.336 -15.306
24 1H5* T 71 1H5* T 71 1.131 -16.699 -17.435
25 2H5* T 71 2H5* T 71 1.091 -15.314 -18.556
26 H4* T 71 H4* T 71 -0.566 -15.112 -16.741
27 H3* T 71 H3* T 71 1.334 -12.988 -17.309
28 1H2* T 71 1H2* T 71 2.667 -13.637 -15.323
29 2H2* T 71 2H2* T 71 1.724 -12.271 -14.732
30 H1* T 71 H1* T 71 -0.222 -13.921 -14.179
31 H3 T 71 H3 T 71 0.614 -14.704 -9.870
32 1H5M T 71 1H5M T 71 5.129 -15.466 -11.115
33 2H5M T 71 2H5M T 71 5.193 -14.539 -12.655
34 3H5M T 71 3H5M T 71 5.036 -13.651 -11.121
35 H6 T 71 H6 T 71 3.323 -14.850 -13.778
36 1H5* C 72 1H5* C 72 -3.065 -13.544 -15.672
37 2H5* C 72 2H5* C 72 -4.425 -12.442 -15.980
38 H4* C 72 H4* C 72 -4.123 -12.571 -13.716
39 H3* C 72 H3* C 72 -3.399 -9.937 -14.917
40 H1* C 72 H1* C 72 -2.563 -11.644 -11.606
41 1H4 C 72 1H4 C 72 3.947 -11.382 -10.686
42 2H4 C 72 2H4 C 72 3.236 -12.157 -9.314
43 H5 C 72 H5 C 72 2.696 -10.914 -12.706
44 H6 C 72 H6 C 72 0.425 -10.588 -13.672
45 1H2* C 72 1H2* C 72 -1.695 -9.622 -13.559
46 2H2* C 72 2H2* C 72 -2.735 -9.351 -12.184
47 1H5* T 73 1H5* T 73 -5.405 -10.231 -10.827
48 2H5* T 73 2H5* T 73 -6.584 -8.937 -10.511
49 H4* T 73 H4* T 73 -5.076 -9.440 -8.598
50 H3* T 73 H3* T 73 -5.676 -6.795 -9.635
51 1H2* T 73 1H2* T 73 -3.502 -6.483 -10.326
52 2H2* T 73 2H2* T 73 -3.367 -5.861 -8.650
53 H1* T 73 H1* T 73 -2.909 -7.967 -7.797
54 H3 T 73 H3 T 73 1.457 -8.390 -7.761
55 1H5M T 73 1H5M T 73 1.141 -7.991 -12.680
56 2H5M T 73 2H5M T 73 -0.022 -6.659 -12.826
57 3H5M T 73 3H5M T 73 1.518 -6.299 -12.266
58 H6 T 73 H6 T 73 -1.668 -7.017 -11.184
59 1H5* A 74 1H5* A 74 -4.717 -7.336 -5.015
60 2H5* A 74 2H5* A 74 -6.106 -6.673 -4.231
61 H4* A 74 H4* A 74 -4.147 -6.649 -2.886
62 H3* A 74 H3* A 74 -5.599 -4.181 -3.213
63 H1* A 74 H1* A 74 -1.763 -4.514 -2.948
64 H8 A 74 H8 A 74 -2.595 -2.372 -5.850
65 1H6 A 74 1H6 A 74 2.820 -4.497 -8.245
66 2H6 A 74 2H6 A 74 1.384 -3.966 -9.044
67 H2 A 74 H2 A 74 2.252 -6.325 -4.651
68 1H2* A 74 1H2* A 74 -4.056 -3.169 -4.446
69 2H2* A 74 2H2* A 74 -3.359 -2.696 -2.878
70 1H5* A 75 1H5* A 75 -2.185 -5.630 -0.503
71 2H5* A 75 2H5* A 75 -2.571 -5.167 1.088
72 H4* A 75 H4* A 75 -0.143 -5.453 0.780
73 H3* A 75 H3* A 75 -1.262 -2.900 1.493
74 H1* A 75 H1* A 75 1.840 -3.372 -0.555
75 H8 A 75 H8 A 75 -0.671 -1.036 -2.210
76 1H6 A 75 1H6 A 75 3.103 -1.671 -7.173
77 2H6 A 75 2H6 A 75 1.534 -1.154 -6.696
78 H2 A 75 H2 A 75 4.718 -4.007 -3.977
79 1H2* A 75 1H2* A 75 -0.494 -1.572 -0.081
80 2H2* A 75 2H2* A 75 1.142 -1.779 0.727
81 1H5* T 76 1H5* T 76 2.935 -4.308 1.402
82 2H5* T 76 2H5* T 76 3.785 -4.289 3.024
83 H4* T 76 H4* T 76 5.216 -4.236 0.992
84 H3* T 76 H3* T 76 5.039 -1.985 2.914
85 1H2* T 76 1H2* T 76 5.053 -0.370 1.370
86 2H2* T 76 2H2* T 76 6.676 -0.669 0.833
87 H1* T 76 H1* T 76 6.130 -2.473 -0.680
88 H3 T 76 H3 T 76 5.044 -0.082 -4.532
89 1H5M T 76 1H5M T 76 2.106 2.483 -1.663
90 2H5M T 76 2H5M T 76 1.019 1.296 -2.449
91 3H5M T 76 3H5M T 76 1.325 1.082 -0.765
92 H6 T 76 H6 T 76 3.087 -0.287 -0.133
93 1H5* C 77 1H5* C 77 9.560 -2.666 1.556
94 2H5* C 77 2H5* C 77 10.669 -2.108 2.805
95 H4* C 77 H4* C 77 11.305 -1.394 0.435
96 H3* C 77 H3* C 77 11.285 0.288 2.820
97 H1* C 77 H1* C 77 10.578 1.187 -0.750
98 1H4 C 77 1H4 C 77 4.291 3.552 -1.200
99 2H4 C 77 2H4 C 77 4.909 3.404 -2.757
100 H5 C 77 H5 C 77 5.387 2.309 0.765
101 H6 C 77 H6 C 77 7.667 1.516 1.414
102 1H2* C 77 1H2* C 77 9.546 1.659 2.120
103 2H2* C 77 2H2* C 77 10.903 2.359 1.257
104 1H5* C 78 1H5* C 78 13.185 1.865 -0.933
105 2H5* C 78 2H5* C 78 14.641 2.724 -0.738
106 H4* C 78 H4* C 78 13.681 4.094 -2.095
107 H3* C 78 H3* C 78 13.862 5.191 0.666
108 H1* C 78 H1* C 78 11.313 5.700 -2.239
109 1H4 C 78 1H4 C 78 5.833 4.974 1.351
110 2H4 C 78 2H4 C 78 5.495 5.763 -0.186
111 H5 C 78 H5 C 78 8.125 4.727 2.053
112 H6 C 78 H6 C 78 10.476 4.548 1.121
113 1H2* C 78 1H2* C 78 11.961 6.628 0.501
114 2H2* C 78 2H2* C 78 12.518 7.049 -1.123
115 1H5* C 79 1H5* C 79 13.588 6.952 -3.531
116 2H5* C 79 2H5* C 79 15.089 7.698 -3.964
117 H4* C 79 H4* C 79 13.077 8.423 -5.332
118 H3* C 79 H3* C 79 14.299 10.443 -3.558
119 H1* C 79 H1* C 79 10.808 10.055 -4.648
120 1H4 C 79 1H4 C 79 7.606 8.754 0.938
121 2H4 C 79 2H4 C 79 6.306 9.309 -0.238
122 H5 C 79 H5 C 79 9.870 8.510 0.424
123 H6 C 79 H6 C 79 11.494 8.929 -1.255
124 1H2* C 79 1H2* C 79 12.462 10.610 -2.291
125 2H2* C 79 2H2* C 79 11.968 11.694 -3.755
126 1H5* C 80 1H5* C 80 11.099 12.356 -7.005
127 2H5* C 80 2H5* C 80 11.935 13.894 -7.311
128 H4* C 80 H4* C 80 9.501 14.004 -7.011
129 H3* C 80 H3* C 80 11.548 15.655 -6.194
130 H1* C 80 H1* C 80 8.287 14.941 -4.581
131 1H4 C 80 1H4 C 80 8.834 11.907 1.255
132 2H4 C 80 2H4 C 80 7.151 12.407 0.885
133 H5 C 80 H5 C 80 10.505 12.400 -0.208
134 H6 C 80 H6 C 80 10.866 13.277 -2.704
135 1H2* C 80 1H2* C 80 11.280 14.778 -3.913
136 2H2* C 80 2H2* C 80 10.383 16.268 -3.739
137 1H5* G 81 1H5* G 81 6.754 16.434 -7.171
138 2H5* G 81 2H5* G 81 6.371 17.389 -8.585
139 H4* G 81 H4* G 81 5.093 18.657 -7.203
140 H3* G 81 H3* G 81 7.436 19.946 -7.487
141 H1* G 81 H1* G 81 6.003 19.461 -4.086
142 H8 G 81 H8 G 81 9.317 18.268 -3.478
143 H1 G 81 H1 G 81 5.105 16.461 0.976
144 1H2 G 81 1H2 G 81 2.870 17.325 -1.504
145 2H2 G 81 2H2 G 81 3.113 16.406 -0.004
146 H3T G 81 H3T G 81 5.389 20.944 -7.305
147 1H2* G 81 1H2* G 81 8.555 19.003 -5.677
148 2H2* G 81 2H2* G 81 7.833 20.448 -4.823
149 1H5* C 82 1H5* C 82 0.331 16.503 7.299
150 2H5* C 82 2H5* C 82 -1.263 15.797 7.506
151 H4* C 82 H4* C 82 -0.949 15.761 5.162
152 H3* C 82 H3* C 82 -0.271 12.999 6.258
153 H1* C 82 H1* C 82 0.636 14.945 3.017
154 1H4 C 82 1H4 C 82 7.178 14.470 3.893
155 2H4 C 82 2H4 C 82 6.929 15.475 2.544
156 H5 C 82 H5 C 82 5.359 13.279 5.021
157 H6 C 82 H6 C 82 2.914 13.168 5.274
158 H5T C 82 H5T C 82 1.268 14.642 7.699
159 1H2* C 82 1H2* C 82 0.791 12.384 4.287
160 2H2* C 82 2H2* C 82 -0.533 13.115 3.357
161 1H5* G 83 1H5* G 83 -3.493 13.334 2.989
162 2H5* G 83 2H5* G 83 -4.215 11.928 2.539
163 H4* G 83 H4* G 83 -3.095 13.339 0.462
164 H3* G 83 H3* G 83 -3.557 10.533 0.621
165 H1* G 83 H1* G 83 -0.626 12.345 -0.896
166 H8 G 83 H8 G 83 0.258 10.984 2.507
167 H1 G 83 H1 G 83 5.444 13.334 -0.589
168 1H2 G 83 1H2 G 83 2.816 14.021 -2.864
169 2H2 G 83 2H2 G 83 4.591 14.192 -2.580
170 1H2* G 83 1H2* G 83 -1.201 10.034 0.997
171 2H2* G 83 2H2* G 83 -1.264 10.185 -0.782
172 1H5* G 84 1H5* G 84 -2.330 12.924 -3.152
173 2H5* G 84 2H5* G 84 -3.540 12.402 -4.343
174 H4* G 84 H4* G 84 -1.456 13.187 -5.474
175 H3* G 84 H3* G 84 -2.513 10.678 -6.155
176 H1* G 84 H1* G 84 1.180 11.468 -5.674
177 H8 G 84 H8 G 84 -0.404 9.861 -2.582
178 H1 G 84 H1 G 84 6.015 10.328 -2.130
179 1H2 G 84 1H2 G 84 5.654 11.630 -5.373
180 2H2 G 84 2H2 G 84 6.810 11.163 -4.170
181 1H2* G 84 1H2* G 84 -1.125 9.650 -4.667
182 2H2* G 84 2H2* G 84 -0.179 9.301 -6.052
183 1H5* G 85 1H5* G 85 1.917 11.439 -7.692
184 2H5* G 85 2H5* G 85 1.641 11.217 -9.349
185 H4* G 85 H4* G 85 3.421 9.607 -8.778
186 H3* G 85 H3* G 85 0.986 8.497 -9.533
187 H1* G 85 H1* G 85 3.441 7.153 -7.262
188 H8 G 85 H8 G 85 0.400 6.820 -5.191
189 H1 G 85 H1 G 85 5.931 6.638 -1.858
190 1H2 G 85 1H2 G 85 7.305 7.686 -4.756
191 2H2 G 85 2H2 G 85 7.370 7.298 -3.042
192 1H2* G 85 1H2* G 85 0.476 7.676 -7.272
193 2H2* G 85 2H2* G 85 1.379 6.305 -8.054
194 1H5* G 86 1H5* G 86 5.573 8.279 -9.367
195 2H5* G 86 2H5* G 86 5.764 9.478 -10.563
196 H4* G 86 H4* G 86 7.821 8.426 -10.932
197 H3* G 86 H3* G 86 6.589 6.704 -12.600
198 H1* G 86 H1* G 86 8.161 5.031 -9.479
199 H8 G 86 H8 G 86 4.411 5.493 -9.648
200 H1 G 86 H1 G 86 6.805 3.775 -3.910
201 1H2 G 86 1H2 G 86 9.819 4.373 -5.524
202 2H2 G 86 2H2 G 86 9.063 3.662 -4.162
203 1H2* G 86 1H2* G 86 5.880 4.784 -11.154
204 2H2* G 86 2H2* G 86 7.504 4.435 -11.340
205 1H5* A 87 1H5* A 87 10.893 5.342 -11.172
206 2H5* A 87 2H5* A 87 11.730 4.396 -12.398
207 H4* A 87 H4* A 87 11.949 3.440 -10.279
208 H3* A 87 H3* A 87 11.503 1.768 -12.504
209 H1* A 87 H1* A 87 10.018 0.897 -9.262
210 H8 A 87 H8 A 87 6.920 1.914 -11.345
211 1H6 A 87 1H6 A 87 3.730 0.859 -6.159
212 2H6 A 87 2H6 A 87 3.495 0.984 -7.888
213 H2 A 87 H2 A 87 7.949 0.672 -5.162
214 1H2* A 87 1H2* A 87 9.159 1.852 -11.992
215 2H2* A 87 2H2* A 87 9.672 0.207 -11.496
216 1H5* T 88 1H5* T 88 12.689 -2.867 -9.657
217 2H5* T 88 2H5* T 88 10.981 -2.888 -9.821
218 H4* T 88 H4* T 88 12.651 -2.296 -7.218
219 H3* T 88 H3* T 88 12.220 -4.837 -8.081
220 1H2* T 88 1H2* T 88 9.853 -4.568 -8.664
221 2H2* T 88 2H2* T 88 9.700 -5.243 -7.069
222 H1* T 88 H1* T 88 9.569 -3.478 -5.868
223 H3 T 88 H3 T 88 5.116 -2.703 -6.403
224 1H5M T 88 1H5M T 88 6.172 -1.042 -10.913
225 2H5M T 88 2H5M T 88 7.885 -1.455 -10.927
226 3H5M T 88 3H5M T 88 6.788 -2.687 -11.344
227 H6 T 88 H6 T 88 8.942 -2.364 -9.285
228 1H5* T 89 1H5* T 89 10.373 -5.388 -2.926
229 2H5* T 89 2H5* T 89 11.353 -6.970 -3.147
230 H4* T 89 H4* T 89 9.273 -7.361 -1.929
231 H3* T 89 H3* T 89 10.546 -9.061 -3.788
232 1H2* T 89 1H2* T 89 9.568 -8.205 -5.474
233 2H2* T 89 2H2* T 89 8.385 -9.557 -5.258
234 H1* T 89 H1* T 89 6.887 -8.212 -3.999
235 H3 T 89 H3 T 89 3.807 -6.003 -6.333
236 1H5M T 89 1H5M T 89 6.945 -6.881 -9.981
237 2H5M T 89 2H5M T 89 7.058 -5.159 -9.507
238 3H5M T 89 3H5M T 89 8.393 -6.369 -9.064
239 H6 T 89 H6 T 89 8.503 -6.985 -7.036
240 1H5* A 90 1H5* A 90 7.713 -8.620 -0.446
241 2H5* A 90 2H5* A 90 7.444 -9.569 1.006
242 H4* A 90 H4* A 90 5.419 -9.733 0.070
243 H3* A 90 H3* A 90 6.627 -12.065 0.273
244 H1* A 90 H1* A 90 4.195 -11.008 -2.127
245 H8 A 90 H8 A 90 7.184 -11.661 -4.437
246 1H6 A 90 1H6 A 90 3.641 -8.781 -8.728
247 2H6 A 90 2H6 A 90 5.158 -9.630 -8.410
248 H2 A 90 H2 A 90 1.449 -8.734 -5.068
249 1H2* A 90 1H2* A 90 6.887 -12.362 -2.267
250 2H2* A 90 2H2* A 90 5.338 -13.171 -2.101
251 1H5* G 91 1H5* G 91 2.142 -11.338 0.142
252 2H5* G 91 2H5* G 91 1.720 -12.263 1.581
253 H4* G 91 H4* G 91 -0.323 -11.821 0.542
254 H3* G 91 H3* G 91 0.402 -14.397 0.876
255 H1* G 91 H1* G 91 -0.570 -13.234 -2.806
256 H8 G 91 H8 G 91 3.191 -13.919 -2.260
257 H1 G 91 H1 G 91 1.361 -12.057 -7.971
258 1H2 G 91 1H2 G 91 -1.773 -11.905 -6.492
259 2H2 G 91 2H2 G 91 -0.885 -11.456 -7.893
260 1H2* G 91 1H2* G 91 1.295 -14.986 -1.232
261 2H2* G 91 2H2* G 91 -0.325 -15.260 -1.780
262 1H5* A 92 1H5* A 92 -3.260 -13.452 -1.254
263 2H5* A 92 2H5* A 92 -4.731 -14.227 -0.570
264 H4* A 92 H4* A 92 -5.175 -13.168 -2.711
265 H3* A 92 H3* A 92 -6.040 -15.589 -2.277
266 H1* A 92 H1* A 92 -4.253 -14.953 -5.458
267 H8 A 92 H8 A 92 -1.917 -16.712 -3.177
268 1H6 A 92 1H6 A 92 2.107 -15.564 -7.727
269 2H6 A 92 2H6 A 92 2.166 -16.501 -6.203
270 H2 A 92 H2 A 92 -1.508 -14.036 -8.899
271 1H2* A 92 1H2* A 92 -4.022 -16.821 -3.160
272 2H2* A 92 2H2* A 92 -5.018 -16.792 -4.612
273 1H5* G 93 1H5* G 93 -6.035 -13.743 -6.740
274 2H5* G 93 2H5* G 93 -7.707 -13.767 -6.898
275 H4* G 93 H4* G 93 -7.128 -13.793 -9.039
276 H3* G 93 H3* G 93 -8.536 -15.982 -8.120
277 H1* G 93 H1* G 93 -5.242 -16.382 -10.365
278 H8 G 93 H8 G 93 -4.891 -17.564 -6.860
279 H1 G 93 H1 G 93 0.356 -18.228 -10.453
280 1H2 G 93 1H2 G 93 -1.664 -16.884 -12.926
281 2H2 G 93 2H2 G 93 -0.222 -17.763 -12.480
282 1H2* G 93 1H2* G 93 -6.608 -17.363 -7.879
283 2H2* G 93 2H2* G 93 -6.918 -17.773 -9.573
284 1H5* C 94 1H5* C 94 -6.921 -16.636 -11.899
285 2H5* C 94 2H5* C 94 -8.102 -16.755 -13.368
286 H4* C 94 H4* C 94 -6.080 -17.775 -13.837
287 H3* C 94 H3* C 94 -8.428 -19.455 -13.431
288 H1* C 94 H1* C 94 -4.810 -19.972 -13.311
289 1H4 C 94 1H4 C 94 -3.066 -21.731 -7.245
290 2H4 C 94 2H4 C 94 -1.509 -21.774 -8.086
291 H5 C 94 H5 C 94 -4.985 -20.787 -7.946
292 H6 C 94 H6 C 94 -6.111 -19.986 -10.012
293 H3T C 94 H3T C 94 -7.557 -19.178 -15.540
294 1H2* C 94 1H2* C 94 -7.274 -20.930 -11.852
295 2H2* C 94 2H2* C 94 -6.584 -21.512 -13.415
296 1H GLY 1 1H GLY 1 7.212 -13.226 2.421
297 2H GLY 1 2H GLY 1 5.757 -13.893 2.872
298 3H GLY 1 3H GLY 1 7.231 -14.308 3.497
299 1HA GLY 1 1HA GLY 1 7.462 -11.937 4.419
300 2HA GLY 1 2HA GLY 1 5.995 -11.576 3.652
301 HA PRO 2 HA PRO 2 5.104 -14.036 7.933
302 1HB PRO 2 1HB PRO 2 6.395 -11.911 9.515
303 2HB PRO 2 2HB PRO 2 6.539 -13.684 9.734
304 1HG PRO 2 1HG PRO 2 8.614 -12.041 8.704
305 2HG PRO 2 2HG PRO 2 8.454 -13.695 8.596
306 1HD PRO 2 1HD PRO 2 7.819 -11.467 6.623
307 2HD PRO 2 2HD PRO 2 8.299 -13.234 6.290
308 H ARG 3 H ARG 3 5.237 -10.562 7.011
309 HA ARG 3 HA ARG 3 2.410 -10.390 7.295
310 1HB ARG 3 1HB ARG 3 2.341 -8.516 8.695
311 2HB ARG 3 2HB ARG 3 3.089 -9.844 9.429
312 1HG ARG 3 1HG ARG 3 4.659 -8.275 10.191
313 2HG ARG 3 2HG ARG 3 5.387 -8.351 8.615
314 1HD ARG 3 1HD ARG 3 3.027 -6.457 9.370
315 2HD ARG 3 2HD ARG 3 4.707 -6.081 9.454
316 HE ARG 3 HE ARG 3 4.963 -6.092 7.143
317 1HH1 ARG 3 2HH1 ARG 3 1.583 -5.724 8.163
318 2HH1 ARG 3 1HH1 ARG 3 1.088 -5.451 6.499
319 1HH2 ARG 3 2HH2 ARG 3 4.363 -5.432 5.243
320 2HH2 ARG 3 1HH2 ARG 3 2.737 -4.850 5.015
321 H ARG 4 H ARG 4 1.733 -8.761 5.699
322 HA ARG 4 HA ARG 4 3.611 -7.434 3.942
323 1HB ARG 4 1HB ARG 4 3.776 -9.848 3.249
324 2HB ARG 4 2HB ARG 4 2.004 -9.846 3.185
325 1HG ARG 4 1HG ARG 4 3.118 -9.810 1.033
326 2HG ARG 4 2HG ARG 4 1.898 -8.446 1.243
327 1HD ARG 4 1HD ARG 4 3.824 -7.031 1.818
328 2HD ARG 4 2HD ARG 4 4.961 -8.370 1.409
329 HE ARG 4 HE ARG 4 4.703 -7.839 -0.916
330 1HH1 ARG 4 2HH1 ARG 4 2.105 -6.284 0.831
331 2HH1 ARG 4 1HH1 ARG 4 1.405 -5.620 -0.640
332 1HH2 ARG 4 2HH2 ARG 4 3.880 -6.597 -2.693
333 2HH2 ARG 4 1HH2 ARG 4 2.775 -5.376 -2.252
334 H THR 5 H THR 5 0.492 -7.885 5.234
335 HA THR 5 HA THR 5 -0.762 -5.911 3.428
336 HB THR 5 HB THR 5 -2.863 -7.562 3.611
337 HG1 THR 5 HG1 THR 5 -2.515 -9.601 3.876
338 1HG2 THR 5 1HG2 THR 5 -0.359 -8.283 2.041
339 2HG2 THR 5 2HG2 THR 5 -1.636 -7.188 1.508
340 3HG2 THR 5 3HG2 THR 5 -1.975 -8.982 1.732
341 H ARG 6 H ARG 6 -3.297 -5.883 4.770
342 HA ARG 6 HA ARG 6 -2.939 -6.408 7.648
343 1HB ARG 6 1HB ARG 6 -2.255 -3.991 7.113
344 2HB ARG 6 2HB ARG 6 -3.975 -3.640 6.886
345 1HG ARG 6 1HG ARG 6 -3.358 -5.169 9.337
346 2HG ARG 6 2HG ARG 6 -2.611 -3.555 9.323
347 1HD ARG 6 1HD ARG 6 -4.731 -2.542 8.601
348 2HD ARG 6 2HD ARG 6 -5.587 -4.149 8.731
349 HE ARG 6 HE ARG 6 -4.836 -2.421 10.878
350 1HH1 ARG 6 2HH1 ARG 6 -5.416 -5.891 10.128
351 2HH1 ARG 6 1HH1 ARG 6 -5.596 -6.204 11.810
352 1HH2 ARG 6 2HH2 ARG 6 -4.725 -3.064 12.869
353 2HH2 ARG 6 1HH2 ARG 6 -4.917 -4.706 13.235
354 H THR 7 H THR 7 -5.006 -5.894 5.012
355 HA THR 7 HA THR 7 -7.411 -7.141 6.192
356 HB THR 7 HB THR 7 -7.245 -4.314 5.272
357 HG1 THR 7 HG1 THR 7 -7.613 -5.439 7.775
358 1HG2 THR 7 1HG2 THR 7 -9.299 -4.687 4.391
359 2HG2 THR 7 2HG2 THR 7 -9.637 -4.058 5.965
360 3HG2 THR 7 3HG2 THR 7 -9.702 -5.781 5.824
361 H THR 8 H THR 8 -8.616 -8.101 4.780
362 HA THR 8 HA THR 8 -8.179 -7.820 1.871
363 HB THR 8 HB THR 8 -9.572 -9.978 3.526
364 HG1 THR 8 HG1 THR 8 -7.282 -10.539 2.084
365 1HG2 THR 8 1HG2 THR 8 -9.312 -11.208 1.297
366 2HG2 THR 8 2HG2 THR 8 -8.818 -9.622 0.514
367 3HG2 THR 8 3HG2 THR 8 -10.405 -9.937 1.189
368 H PHE 9 H PHE 9 -9.644 -6.517 0.989
369 HA PHE 9 HA PHE 9 -11.737 -5.129 2.311
370 1HB PHE 9 1HB PHE 9 -10.651 -5.389 -0.435
371 2HB PHE 9 2HB PHE 9 -11.963 -4.353 -0.054
372 HD1 PHE 9 HD1 PHE 9 -8.373 -4.925 1.230
373 HD2 PHE 9 HD2 PHE 9 -11.408 -2.094 0.555
374 HE1 PHE 9 HE1 PHE 9 -6.818 -3.223 1.671
375 HE2 PHE 9 HE2 PHE 9 -9.787 -0.193 0.945
376 HZ PHE 9 HZ PHE 9 -7.439 -0.888 1.606
377 H THR 10 H THR 10 -13.888 -4.861 1.325
378 HA THR 10 HA THR 10 -15.170 -7.328 0.107
379 HB THR 10 HB THR 10 -17.033 -7.122 1.385
380 HG1 THR 10 HG1 THR 10 -17.363 -5.517 2.868
381 1HG2 THR 10 1HG2 THR 10 -15.336 -8.380 3.025
382 2HG2 THR 10 2HG2 THR 10 -16.434 -7.150 3.837
383 3HG2 THR 10 3HG2 THR 10 -14.759 -6.774 3.269
384 H SER 11 H SER 11 -17.054 -7.011 -1.192
385 HA SER 11 HA SER 11 -16.999 -5.107 -3.201
386 1HB SER 11 1HB SER 11 -19.396 -6.508 -2.084
387 2HB SER 11 2HB SER 11 -19.372 -5.541 -3.554
388 HG SER 11 HG SER 11 -18.982 -8.012 -3.498
389 H SER 12 H SER 12 -18.741 -4.993 -0.033
390 HA SER 12 HA SER 12 -19.936 -2.392 -0.836
391 1HB SER 12 1HB SER 12 -19.909 -3.864 1.847
392 2HB SER 12 2HB SER 12 -20.691 -2.205 1.628
393 HG SER 12 HG SER 12 -21.294 -4.355 -0.010
394 H GLN 13 H GLN 13 -16.922 -3.114 0.965
395 HA GLN 13 HA GLN 13 -16.490 -0.426 1.947
396 1HB GLN 13 1HB GLN 13 -14.591 -2.676 1.127
397 2HB GLN 13 2HB GLN 13 -14.104 -1.160 1.982
398 1HG GLN 13 1HG GLN 13 -15.784 -1.810 3.845
399 2HG GLN 13 2HG GLN 13 -16.001 -3.251 2.828
400 1HE2 GLN 13 1HE2 GLN 13 -14.132 -1.650 5.152
401 2HE2 GLN 13 2HE2 GLN 13 -12.890 -2.967 5.244
402 H ILE 14 H ILE 14 -15.607 -2.034 -1.015
403 HA ILE 14 HA ILE 14 -14.299 0.273 -2.396
404 HB ILE 14 HB ILE 14 -15.756 -2.049 -3.627
405 1HG1 ILE 14 1HG1 ILE 14 -12.848 -1.719 -2.740
406 2HG1 ILE 14 2HG1 ILE 14 -14.020 -2.760 -1.990
407 1HG2 ILE 14 1HG2 ILE 14 -14.462 -1.603 -5.687
408 2HG2 ILE 14 2HG2 ILE 14 -15.284 -0.120 -5.159
409 3HG2 ILE 14 3HG2 ILE 14 -13.610 -0.199 -5.042
410 1HD1 ILE 14 1HD1 ILE 14 -14.097 -4.035 -4.222
411 2HD1 ILE 14 2HD1 ILE 14 -12.529 -3.230 -4.529
412 3HD1 ILE 14 3HD1 ILE 14 -12.815 -4.273 -3.066
413 H ALA 15 H ALA 15 -17.687 -0.746 -2.096
414 HA ALA 15 HA ALA 15 -18.762 0.826 -4.082
415 1HB ALA 15 1HB ALA 15 -20.036 -1.058 -2.867
416 2HB ALA 15 2HB ALA 15 -20.105 0.061 -1.487
417 3HB ALA 15 3HB ALA 15 -20.839 0.394 -3.027
418 H GLU 16 H GLU 16 -18.511 1.302 -0.504
419 HA GLU 16 HA GLU 16 -19.277 4.012 -0.094
420 1HB GLU 16 1HB GLU 16 -17.241 2.178 1.102
421 2HB GLU 16 2HB GLU 16 -17.401 3.811 1.645
422 1HG GLU 16 1HG GLU 16 -18.849 1.496 2.611
423 2HG GLU 16 2HG GLU 16 -18.337 2.938 3.339
424 H LEU 17 H LEU 17 -15.992 2.608 -0.679
425 HA LEU 17 HA LEU 17 -14.611 5.057 -0.377
426 1HB LEU 17 1HB LEU 17 -14.107 2.316 -1.636
427 2HB LEU 17 2HB LEU 17 -12.946 3.537 -2.059
428 HG LEU 17 HG LEU 17 -13.812 2.643 0.706
429 1HD1 LEU 17 1HD1 LEU 17 -11.164 1.741 -0.600
430 2HD1 LEU 17 2HD1 LEU 17 -12.517 0.652 -0.289
431 3HD1 LEU 17 3HD1 LEU 17 -11.730 1.438 0.992
432 1HD2 LEU 17 1HD2 LEU 17 -12.629 4.858 0.736
433 2HD2 LEU 17 2HD2 LEU 17 -11.349 4.241 -0.326
434 3HD2 LEU 17 3HD2 LEU 17 -11.481 3.547 1.266
435 H GLU 18 H GLU 18 -15.815 3.493 -3.341
436 HA GLU 18 HA GLU 18 -15.036 5.573 -5.104
437 1HB GLU 18 1HB GLU 18 -17.399 3.637 -5.332
438 2HB GLU 18 2HB GLU 18 -16.864 4.896 -6.498
439 1HG GLU 18 1HG GLU 18 -14.628 3.570 -6.677
440 2HG GLU 18 2HG GLU 18 -15.640 2.223 -6.046
441 H GLN 19 H GLN 19 -18.111 5.199 -3.247
442 HA GLN 19 HA GLN 19 -19.476 7.367 -4.457
443 1HB GLN 19 1HB GLN 19 -20.278 5.470 -3.060
444 2HB GLN 19 2HB GLN 19 -19.533 6.236 -1.575
445 1HG GLN 19 1HG GLN 19 -22.068 6.477 -1.725
446 2HG GLN 19 2HG GLN 19 -21.112 7.887 -1.414
447 1HE2 GLN 19 1HE2 GLN 19 -21.174 9.609 -2.974
448 2HE2 GLN 19 2HE2 GLN 19 -22.312 9.536 -4.355
449 H HIS 20 H HIS 20 -17.353 7.402 -1.437
450 HA HIS 20 HA HIS 20 -17.823 10.305 -1.115
451 1HB HIS 20 1HB HIS 20 -16.065 8.408 0.473
452 2HB HIS 20 2HB HIS 20 -16.530 10.066 0.981
453 HD1 HIS 20 HD1 HIS 20 -18.989 10.512 1.396
454 HD2 HIS 20 HD2 HIS 20 -17.823 6.495 1.286
455 HE1 HIS 20 HE1 HIS 20 -20.903 9.250 2.596
456 H PHE 21 H PHE 21 -15.158 8.200 -2.441
457 HA PHE 21 HA PHE 21 -13.406 10.300 -3.135
458 1HB PHE 21 1HB PHE 21 -12.779 8.094 -3.791
459 2HB PHE 21 2HB PHE 21 -14.402 7.748 -4.454
460 HD1 PHE 21 HD1 PHE 21 -15.018 7.693 -6.570
461 HD2 PHE 21 HD2 PHE 21 -11.394 9.586 -5.489
462 HE1 PHE 21 HE1 PHE 21 -14.798 8.453 -8.768
463 HE2 PHE 21 HE2 PHE 21 -10.868 9.929 -7.953
464 HZ PHE 21 HZ PHE 21 -12.564 9.325 -9.670
465 H LEU 22 H LEU 22 -16.435 9.407 -4.988
466 HA LEU 22 HA LEU 22 -16.315 11.357 -6.776
467 1HB LEU 22 1HB LEU 22 -19.031 11.114 -5.467
468 2HB LEU 22 2HB LEU 22 -18.746 11.509 -7.137
469 HG LEU 22 HG LEU 22 -18.338 8.638 -6.008
470 1HD1 LEU 22 1HD1 LEU 22 -20.526 8.797 -6.171
471 2HD1 LEU 22 2HD1 LEU 22 -20.283 8.483 -7.841
472 3HD1 LEU 22 3HD1 LEU 22 -20.542 10.142 -7.241
473 1HD2 LEU 22 1HD2 LEU 22 -16.712 9.161 -7.788
474 2HD2 LEU 22 2HD2 LEU 22 -18.121 9.888 -8.753
475 3HD2 LEU 22 3HD2 LEU 22 -18.001 8.198 -8.446
476 H GLN 23 H GLN 23 -16.733 12.010 -3.544
477 HA GLN 23 HA GLN 23 -17.583 14.851 -3.748
478 1HB GLN 23 1HB GLN 23 -16.887 13.278 -1.404
479 2HB GLN 23 2HB GLN 23 -17.919 14.799 -1.357
480 1HG GLN 23 1HG GLN 23 -18.737 12.052 -2.305
481 2HG GLN 23 2HG GLN 23 -19.409 13.057 -1.052
482 1HE2 GLN 23 1HE2 GLN 23 -20.558 11.738 -3.369
483 2HE2 GLN 23 2HE2 GLN 23 -21.270 13.080 -4.447
484 H GLY 24 H GLY 24 -14.684 12.982 -3.698
485 1HA GLY 24 1HA GLY 24 -12.954 15.216 -3.760
486 2HA GLY 24 2HA GLY 24 -12.922 14.451 -2.143
487 H ARG 25 H ARG 25 -11.980 14.632 -5.309
488 HA ARG 25 HA ARG 25 -11.300 11.896 -5.978
489 1HB ARG 25 1HB ARG 25 -10.234 14.546 -7.272
490 2HB ARG 25 2HB ARG 25 -10.173 12.918 -7.932
491 1HG ARG 25 1HG ARG 25 -12.661 14.596 -7.295
492 2HG ARG 25 2HG ARG 25 -11.970 14.443 -8.801
493 1HD ARG 25 1HD ARG 25 -12.206 11.878 -8.755
494 2HD ARG 25 2HD ARG 25 -13.163 12.067 -7.292
495 HE ARG 25 HE ARG 25 -14.684 13.536 -8.577
496 1HH1 ARG 25 2HH2 ARG 25 -12.512 12.020 -10.696
497 2HH1 ARG 25 1HH2 ARG 25 -13.684 11.306 -11.766
498 1HH2 ARG 25 2HH1 ARG 25 -16.163 13.333 -10.380
499 2HH2 ARG 25 1HH1 ARG 25 -15.629 12.417 -11.767
500 H TYR 26 H TYR 26 -9.619 14.218 -4.313
501 HA TYR 26 HA TYR 26 -7.272 12.446 -3.878
502 1HB TYR 26 1HB TYR 26 -7.371 15.589 -3.547
503 2HB TYR 26 2HB TYR 26 -6.118 14.437 -3.131
504 HD1 TYR 26 HD1 TYR 26 -4.352 14.525 -4.638
505 HD2 TYR 26 HD2 TYR 26 -8.300 15.366 -6.033
506 HE1 TYR 26 HE1 TYR 26 -3.492 14.744 -6.902
507 HE2 TYR 26 HE2 TYR 26 -7.561 15.323 -8.395
508 HH TYR 26 HH TYR 26 -4.081 14.783 -9.152
509 H LEU 27 H LEU 27 -6.904 11.677 -1.980
510 HA LEU 27 HA LEU 27 -8.514 12.357 0.347
511 1HB LEU 27 1HB LEU 27 -6.077 10.699 -0.001
512 2HB LEU 27 2HB LEU 27 -6.736 11.168 1.661
513 HG LEU 27 HG LEU 27 -8.020 9.223 -0.233
514 1HD1 LEU 27 1HD1 LEU 27 -7.003 8.845 2.522
515 2HD1 LEU 27 2HD1 LEU 27 -5.960 8.797 1.011
516 3HD1 LEU 27 3HD1 LEU 27 -7.324 7.724 1.229
517 1HD2 LEU 27 1HD2 LEU 27 -9.827 10.317 0.772
518 2HD2 LEU 27 2HD2 LEU 27 -8.987 10.594 2.234
519 3HD2 LEU 27 3HD2 LEU 27 -9.640 8.941 1.789
520 H THR 28 H THR 28 -8.339 13.334 1.897
521 HA THR 28 HA THR 28 -5.840 14.865 2.590
522 HB THR 28 HB THR 28 -7.170 16.542 3.604
523 HG1 THR 28 HG1 THR 28 -9.305 16.662 3.191
524 1HG2 THR 28 1HG2 THR 28 -7.817 17.711 1.677
525 2HG2 THR 28 2HG2 THR 28 -8.266 16.166 0.827
526 3HG2 THR 28 3HG2 THR 28 -6.597 16.434 0.969
527 H ALA 29 H ALA 29 -5.605 14.975 5.199
528 HA ALA 29 HA ALA 29 -6.417 12.619 6.370
529 1HB ALA 29 1HB ALA 29 -4.643 14.300 6.981
530 2HB ALA 29 2HB ALA 29 -5.778 15.255 7.888
531 3HB ALA 29 3HB ALA 29 -5.660 13.615 8.365
532 HA PRO 30 HA PRO 30 -10.429 13.978 8.034
533 1HB PRO 30 1HB PRO 30 -11.894 15.946 6.472
534 2HB PRO 30 2HB PRO 30 -11.328 15.922 8.198
535 1HG PRO 30 1HG PRO 30 -10.047 17.020 5.730
536 2HG PRO 30 2HG PRO 30 -9.762 17.666 7.367
537 1HD PRO 30 1HD PRO 30 -8.044 16.181 5.878
538 2HD PRO 30 2HD PRO 30 -8.129 16.183 7.723
539 H ARG 31 H ARG 31 -10.345 14.188 4.528
540 HA ARG 31 HA ARG 31 -12.708 12.823 3.843
541 1HB ARG 31 1HB ARG 31 -9.869 12.875 2.679
542 2HB ARG 31 2HB ARG 31 -11.002 11.794 1.944
543 1HG ARG 31 1HG ARG 31 -10.469 14.363 1.167
544 2HG ARG 31 2HG ARG 31 -11.925 13.536 0.668
545 1HD ARG 31 1HD ARG 31 -13.135 14.785 2.677
546 2HD ARG 31 2HD ARG 31 -11.452 15.472 2.906
547 HE ARG 31 HE ARG 31 -11.816 16.934 1.311
548 1HH1 ARG 31 2HH2 ARG 31 -14.286 14.466 0.739
549 2HH1 ARG 31 1HH2 ARG 31 -15.039 15.365 -0.503
550 1HH2 ARG 31 2HH1 ARG 31 -13.075 18.233 -0.308
551 2HH2 ARG 31 1HH1 ARG 31 -14.195 17.358 -1.228
552 H LEU 32 H LEU 32 -9.413 11.558 4.105
553 HA LEU 32 HA LEU 32 -9.740 8.891 4.115
554 1HB LEU 32 1HB LEU 32 -7.589 10.394 4.160
555 2HB LEU 32 2HB LEU 32 -7.881 10.669 5.854
556 HG LEU 32 HG LEU 32 -6.995 8.023 4.455
557 1HD1 LEU 32 1HD1 LEU 32 -5.733 9.980 6.366
558 2HD1 LEU 32 2HD1 LEU 32 -5.353 9.759 4.648
559 3HD1 LEU 32 3HD1 LEU 32 -5.015 8.465 5.868
560 1HD2 LEU 32 1HD2 LEU 32 -7.602 8.536 7.282
561 2HD2 LEU 32 2HD2 LEU 32 -6.645 7.231 6.660
562 3HD2 LEU 32 3HD2 LEU 32 -8.307 7.180 6.137
563 H ALA 33 H ALA 33 -9.990 11.042 6.935
564 HA ALA 33 HA ALA 33 -10.249 9.025 9.038
565 1HB ALA 33 1HB ALA 33 -11.272 10.973 10.300
566 2HB ALA 33 2HB ALA 33 -9.648 11.281 9.640
567 3HB ALA 33 3HB ALA 33 -11.114 12.016 8.930
568 H ASP 34 H ASP 34 -12.669 10.985 7.381
569 HA ASP 34 HA ASP 34 -14.837 9.738 8.548
570 1HB ASP 34 1HB ASP 34 -14.639 11.965 7.276
571 2HB ASP 34 2HB ASP 34 -15.049 11.004 5.854
572 H LEU 35 H LEU 35 -13.157 8.925 5.456
573 HA LEU 35 HA LEU 35 -14.963 6.560 5.051
574 1HB LEU 35 1HB LEU 35 -12.583 7.769 3.654
575 2HB LEU 35 2HB LEU 35 -12.500 6.066 3.695
576 HG LEU 35 HG LEU 35 -14.029 5.696 2.175
577 1HD1 LEU 35 1HD1 LEU 35 -16.076 6.473 3.482
578 2HD1 LEU 35 2HD1 LEU 35 -15.962 6.867 1.713
579 3HD1 LEU 35 3HD1 LEU 35 -15.638 8.132 2.948
580 1HD2 LEU 35 1HD2 LEU 35 -12.384 7.113 1.354
581 2HD2 LEU 35 2HD2 LEU 35 -13.505 8.501 1.644
582 3HD2 LEU 35 3HD2 LEU 35 -13.899 7.098 0.494
583 H SER 36 H SER 36 -11.914 6.901 6.804
584 HA SER 36 HA SER 36 -11.729 4.087 7.390
585 1HB SER 36 1HB SER 36 -9.826 5.392 7.747
586 2HB SER 36 2HB SER 36 -10.612 6.537 8.643
587 HG SER 36 HG SER 36 -10.262 3.816 9.250
588 H ALA 37 H ALA 37 -13.798 6.542 8.740
589 HA ALA 37 HA ALA 37 -14.665 4.935 10.990
590 1HB ALA 37 1HB ALA 37 -16.413 6.630 11.331
591 2HB ALA 37 2HB ALA 37 -14.885 7.555 11.035
592 3HB ALA 37 3HB ALA 37 -16.197 7.420 9.888
593 H LYS 38 H LYS 38 -15.964 5.780 7.944
594 HA LYS 38 HA LYS 38 -18.397 4.202 8.106
595 1HB LYS 38 1HB LYS 38 -17.134 5.558 5.665
596 2HB LYS 38 2HB LYS 38 -18.739 4.988 5.736
597 1HG LYS 38 1HG LYS 38 -19.107 6.576 7.681
598 2HG LYS 38 2HG LYS 38 -17.682 7.462 7.139
599 1HD LYS 38 1HD LYS 38 -19.671 8.547 6.092
600 2HD LYS 38 2HD LYS 38 -18.842 7.611 4.807
601 1HE LYS 38 1HE LYS 38 -20.630 5.718 5.565
602 2HE LYS 38 2HE LYS 38 -21.123 6.951 6.745
603 1HZ LYS 38 1HZ LYS 38 -21.891 8.289 4.852
604 2HZ LYS 38 2HZ LYS 38 -22.659 6.859 4.865
605 3HZ LYS 38 3HZ LYS 38 -21.526 6.936 3.828
606 H LEU 39 H LEU 39 -15.479 3.543 5.968
607 HA LEU 39 HA LEU 39 -16.572 0.980 4.969
608 1HB LEU 39 1HB LEU 39 -13.791 2.031 5.298
609 2HB LEU 39 2HB LEU 39 -14.436 0.745 4.151
610 HG LEU 39 HG LEU 39 -15.000 2.047 2.510
611 1HD1 LEU 39 1HD1 LEU 39 -15.480 4.290 2.416
612 2HD1 LEU 39 2HD1 LEU 39 -15.104 4.574 4.149
613 3HD1 LEU 39 3HD1 LEU 39 -16.557 3.708 3.671
614 1HD2 LEU 39 1HD2 LEU 39 -12.648 2.387 2.914
615 2HD2 LEU 39 2HD2 LEU 39 -12.875 3.650 4.145
616 3HD2 LEU 39 3HD2 LEU 39 -13.324 3.880 2.384
617 H ALA 40 H ALA 40 -15.096 2.094 7.761
618 HA ALA 40 HA ALA 40 -14.299 1.227 9.714
619 1HB ALA 40 1HB ALA 40 -16.516 0.324 9.727
620 2HB ALA 40 2HB ALA 40 -15.876 -1.227 8.863
621 3HB ALA 40 3HB ALA 40 -15.383 -0.717 10.486
622 H LEU 41 H LEU 41 -12.244 1.450 8.914
623 HA LEU 41 HA LEU 41 -10.606 -0.872 9.388
624 1HB LEU 41 1HB LEU 41 -9.729 -1.260 7.094
625 2HB LEU 41 2HB LEU 41 -11.284 -1.801 7.410
626 HG LEU 41 HG LEU 41 -12.237 -0.207 5.781
627 1HD1 LEU 41 1HD1 LEU 41 -11.250 1.553 4.771
628 2HD1 LEU 41 2HD1 LEU 41 -9.640 1.278 5.560
629 3HD1 LEU 41 3HD1 LEU 41 -11.003 1.920 6.504
630 1HD2 LEU 41 1HD2 LEU 41 -10.879 -1.944 4.558
631 2HD2 LEU 41 2HD2 LEU 41 -9.503 -0.965 4.752
632 3HD2 LEU 41 3HD2 LEU 41 -10.913 -0.476 3.730
633 H GLY 42 H GLY 42 -8.336 -0.379 8.668
634 1HA GLY 42 1HA GLY 42 -7.413 1.757 10.268
635 2HA GLY 42 2HA GLY 42 -6.477 0.845 9.235
636 H THR 43 H THR 43 -6.607 3.823 9.680
637 HA THR 43 HA THR 43 -7.309 5.334 7.502
638 HB THR 43 HB THR 43 -5.123 6.631 7.891
639 HG1 THR 43 HG1 THR 43 -3.998 6.165 9.524
640 1HG2 THR 43 1HG2 THR 43 -6.573 6.211 10.548
641 2HG2 THR 43 2HG2 THR 43 -7.458 6.841 9.165
642 3HG2 THR 43 3HG2 THR 43 -6.141 7.822 9.659
643 H ALA 44 H ALA 44 -4.500 3.341 7.659
644 HA ALA 44 HA ALA 44 -3.162 4.242 5.365
645 1HB ALA 44 1HB ALA 44 -2.095 2.098 5.375
646 2HB ALA 44 2HB ALA 44 -1.902 3.053 6.872
647 3HB ALA 44 3HB ALA 44 -2.999 1.634 6.809
648 H GLN 45 H GLN 45 -5.568 1.628 5.675
649 HA GLN 45 HA GLN 45 -5.519 0.737 2.900
650 1HB GLN 45 1HB GLN 45 -7.496 0.748 5.178
651 2HB GLN 45 2HB GLN 45 -7.936 0.033 3.614
652 1HG GLN 45 1HG GLN 45 -7.244 -1.526 5.260
653 2HG GLN 45 2HG GLN 45 -6.261 -1.662 3.838
654 1HE2 GLN 45 1HE2 GLN 45 -6.446 -0.891 7.363
655 2HE2 GLN 45 2HE2 GLN 45 -4.744 -0.788 7.597
656 H VAL 46 H VAL 46 -7.119 3.711 4.157
657 HA VAL 46 HA VAL 46 -8.877 3.809 1.782
658 HB VAL 46 HB VAL 46 -8.151 6.228 3.552
659 1HG1 VAL 46 1HG1 VAL 46 -10.437 6.882 3.228
660 2HG1 VAL 46 2HG1 VAL 46 -9.764 6.376 1.616
661 3HG1 VAL 46 3HG1 VAL 46 -10.904 5.368 2.569
662 1HG2 VAL 46 1HG2 VAL 46 -8.487 4.491 5.196
663 2HG2 VAL 46 2HG2 VAL 46 -9.727 5.691 5.276
664 3HG2 VAL 46 3HG2 VAL 46 -10.162 4.178 4.475
665 H LYS 47 H LYS 47 -5.866 5.579 2.933
666 HA LYS 47 HA LYS 47 -5.219 6.962 0.760
667 1HB LYS 47 1HB LYS 47 -3.771 5.490 3.091
668 2HB LYS 47 2HB LYS 47 -2.787 6.266 1.882
669 1HG LYS 47 1HG LYS 47 -3.964 8.398 2.240
670 2HG LYS 47 2HG LYS 47 -4.985 7.618 3.324
671 1HD LYS 47 1HD LYS 47 -2.058 8.182 3.588
672 2HD LYS 47 2HD LYS 47 -3.398 9.062 4.496
673 1HE LYS 47 1HE LYS 47 -3.813 6.902 5.713
674 2HE LYS 47 2HE LYS 47 -2.256 6.363 5.113
675 1HZ LYS 47 1HZ LYS 47 -2.657 7.886 7.283
676 2HZ LYS 47 2HZ LYS 47 -2.423 9.043 6.195
677 3HZ LYS 47 3HZ LYS 47 -1.170 7.897 6.542
678 H ILE 48 H ILE 48 -4.270 3.469 1.574
679 HA ILE 48 HA ILE 48 -2.680 3.041 -0.561
680 HB ILE 48 HB ILE 48 -4.227 1.238 1.185
681 1HG1 ILE 48 1HG1 ILE 48 -1.134 1.566 0.617
682 2HG1 ILE 48 2HG1 ILE 48 -2.001 2.371 1.875
683 1HG2 ILE 48 1HG2 ILE 48 -2.219 0.367 -1.092
684 2HG2 ILE 48 2HG2 ILE 48 -3.073 -0.752 0.089
685 3HG2 ILE 48 3HG2 ILE 48 -4.044 0.066 -1.046
686 1HD1 ILE 48 1HD1 ILE 48 -2.783 -0.054 2.542
687 2HD1 ILE 48 2HD1 ILE 48 -1.170 -0.485 1.705
688 3HD1 ILE 48 3HD1 ILE 48 -1.451 0.530 3.169
689 H TRP 49 H TRP 49 -6.113 2.241 -0.137
690 HA TRP 49 HA TRP 49 -6.780 1.360 -2.614
691 1HB TRP 49 1HB TRP 49 -8.363 1.317 -0.825
692 2HB TRP 49 2HB TRP 49 -8.390 3.078 -0.873
693 HD1 TRP 49 HD1 TRP 49 -8.954 0.305 -3.264
694 HE1 TRP 49 HE1 TRP 49 -11.026 0.467 -4.734
695 HE3 TRP 49 HE3 TRP 49 -9.651 4.920 -2.379
696 HZ2 TRP 49 HZ2 TRP 49 -12.952 2.748 -5.314
697 HZ3 TRP 49 HZ3 TRP 49 -11.210 6.409 -3.697
698 HH2 TRP 49 HH2 TRP 49 -12.911 5.172 -5.205
699 H PHE 50 H PHE 50 -7.011 4.913 -1.693
700 HA PHE 50 HA PHE 50 -7.602 5.671 -4.282
701 1HB PHE 50 1HB PHE 50 -6.666 6.860 -1.600
702 2HB PHE 50 2HB PHE 50 -6.138 7.780 -2.914
703 HD1 PHE 50 HD1 PHE 50 -7.797 9.489 -3.806
704 HD2 PHE 50 HD2 PHE 50 -9.023 6.344 -1.158
705 HE1 PHE 50 HE1 PHE 50 -9.795 10.760 -3.374
706 HE2 PHE 50 HE2 PHE 50 -11.176 7.690 -0.781
707 HZ PHE 50 HZ PHE 50 -11.434 9.956 -1.677
708 H LYS 51 H LYS 51 -4.467 5.031 -2.887
709 HA LYS 51 HA LYS 51 -2.928 6.262 -4.992
710 1HB LYS 51 1HB LYS 51 -2.357 4.108 -2.744
711 2HB LYS 51 2HB LYS 51 -1.116 4.609 -3.911
712 1HG LYS 51 1HG LYS 51 -1.360 7.003 -3.031
713 2HG LYS 51 2HG LYS 51 -2.622 6.691 -1.979
714 1HD LYS 51 1HD LYS 51 -0.293 6.780 -0.884
715 2HD LYS 51 2HD LYS 51 -1.443 5.760 -0.297
716 1HE LYS 51 1HE LYS 51 -0.435 3.839 -1.355
717 2HE LYS 51 2HE LYS 51 0.801 4.818 -2.202
718 1HZ LYS 51 1HZ LYS 51 1.704 4.092 -0.192
719 2HZ LYS 51 2HZ LYS 51 0.290 4.532 0.641
720 3HZ LYS 51 3HZ LYS 51 1.328 5.649 0.071
721 H ASN 52 H ASN 52 -3.659 2.781 -4.326
722 HA ASN 52 HA ASN 52 -2.696 1.906 -6.860
723 1HB ASN 52 1HB ASN 52 -3.294 -0.261 -6.284
724 2HB ASN 52 2HB ASN 52 -2.728 0.441 -4.781
725 1HD2 ASN 52 1HD2 ASN 52 -4.330 0.392 -2.912
726 2HD2 ASN 52 2HD2 ASN 52 -5.680 -0.565 -3.119
727 H ARG 53 H ARG 53 -5.898 2.931 -5.914
728 HA ARG 53 HA ARG 53 -7.330 2.312 -8.281
729 1HB ARG 53 1HB ARG 53 -8.610 3.234 -6.405
730 2HB ARG 53 2HB ARG 53 -7.554 4.578 -6.355
731 1HG ARG 53 1HG ARG 53 -8.625 5.349 -8.424
732 2HG ARG 53 2HG ARG 53 -9.272 3.772 -8.808
733 1HD ARG 53 1HD ARG 53 -10.589 4.022 -6.726
734 2HD ARG 53 2HD ARG 53 -10.189 5.812 -6.695
735 HE ARG 53 HE ARG 53 -11.240 6.349 -8.646
736 1HH1 ARG 53 2HH2 ARG 53 -12.129 2.939 -7.946
737 2HH1 ARG 53 1HH2 ARG 53 -13.659 3.178 -8.805
738 1HH2 ARG 53 2HH1 ARG 53 -13.199 6.331 -9.875
739 2HH2 ARG 53 1HH1 ARG 53 -14.114 4.925 -9.914
740 H ARG 54 H ARG 54 -5.351 5.352 -7.588
741 HA ARG 54 HA ARG 54 -5.630 6.590 -10.094
742 1HB ARG 54 1HB ARG 54 -3.496 6.631 -7.968
743 2HB ARG 54 2HB ARG 54 -3.442 7.685 -9.444
744 1HG ARG 54 1HG ARG 54 -5.336 8.824 -8.983
745 2HG ARG 54 2HG ARG 54 -5.925 7.692 -7.751
746 1HD ARG 54 1HD ARG 54 -4.137 8.165 -6.370
747 2HD ARG 54 2HD ARG 54 -3.293 9.111 -7.690
748 HE ARG 54 HE ARG 54 -4.642 10.942 -7.478
749 1HH1 ARG 54 2HH1 ARG 54 -5.861 8.645 -5.516
750 2HH1 ARG 54 1HH1 ARG 54 -6.159 9.705 -4.114
751 1HH2 ARG 54 2HH2 ARG 54 -5.225 12.503 -5.956
752 2HH2 ARG 54 1HH2 ARG 54 -5.668 11.830 -4.484
753 H ARG 55 H ARG 55 -2.957 4.337 -8.858
754 HA ARG 55 HA ARG 55 -1.566 4.097 -11.315
755 1HB ARG 55 1HB ARG 55 -1.896 2.240 -8.968
756 2HB ARG 55 2HB ARG 55 -0.899 1.776 -10.315
757 1HG ARG 55 1HG ARG 55 -0.490 4.225 -8.494
758 2HG ARG 55 2HG ARG 55 0.508 2.722 -8.522
759 1HD ARG 55 1HD ARG 55 0.179 4.906 -10.712
760 2HD ARG 55 2HD ARG 55 1.471 4.903 -9.547
761 HE ARG 55 HE ARG 55 1.174 3.508 -12.008
762 1HH1 ARG 55 2HH1 ARG 55 2.906 3.453 -8.969
763 2HH1 ARG 55 1HH1 ARG 55 4.063 2.309 -9.516
764 1HH2 ARG 55 2HH2 ARG 55 3.132 1.981 -12.648
765 2HH2 ARG 55 1HH2 ARG 55 4.215 1.720 -11.278
766 H ARG 56 H ARG 56 -4.310 1.940 -10.206
767 HA ARG 56 HA ARG 56 -4.614 0.360 -12.540
768 1HB ARG 56 1HB ARG 56 -6.056 1.283 -10.176
769 2HB ARG 56 2HB ARG 56 -7.204 1.251 -11.464
770 1HG ARG 56 1HG ARG 56 -7.014 -0.977 -11.738
771 2HG ARG 56 2HG ARG 56 -5.355 -1.059 -11.162
772 1HD ARG 56 1HD ARG 56 -6.746 -0.307 -8.788
773 2HD ARG 56 2HD ARG 56 -7.881 -1.238 -9.503
774 HE ARG 56 HE ARG 56 -6.412 -3.086 -8.735
775 1HH1 ARG 56 2HH1 ARG 56 -4.535 -0.290 -9.082
776 2HH1 ARG 56 1HH1 ARG 56 -3.018 -1.200 -8.873
777 1HH2 ARG 56 2HH2 ARG 56 -4.526 -4.020 -8.156
778 2HH2 ARG 56 1HH2 ARG 56 -3.037 -3.120 -8.373
779 H HIS 57 H HIS 57 -6.013 3.471 -11.922
780 HA HIS 57 HA HIS 57 -7.493 3.529 -14.449
781 1HB HIS 57 1HB HIS 57 -6.945 5.491 -12.135
782 2HB HIS 57 2HB HIS 57 -7.669 6.155 -13.424
783 HD1 HIS 57 HD1 HIS 57 -10.262 6.010 -13.673
784 HD2 HIS 57 HD2 HIS 57 -8.585 3.173 -11.119
785 HE1 HIS 57 HE1 HIS 57 -12.280 4.811 -12.430
786 H LYS 58 H LYS 58 -4.475 5.189 -13.472
787 HA LYS 58 HA LYS 58 -4.182 6.276 -16.006
788 1HB LYS 58 1HB LYS 58 -2.045 7.144 -15.389
789 2HB LYS 58 2HB LYS 58 -3.276 7.321 -14.051
790 1HG LYS 58 1HG LYS 58 -2.285 5.188 -13.035
791 2HG LYS 58 2HG LYS 58 -1.084 5.286 -14.414
792 1HD LYS 58 1HD LYS 58 0.088 6.395 -12.652
793 2HD LYS 58 2HD LYS 58 -0.642 7.641 -13.635
794 1HE LYS 58 1HE LYS 58 -2.641 7.583 -11.933
795 2HE LYS 58 2HE LYS 58 -1.403 6.617 -10.936
796 1HZ LYS 58 1HZ LYS 58 -1.590 9.473 -12.002
797 2HZ LYS 58 2HZ LYS 58 -0.195 8.866 -11.615
798 3HZ LYS 58 3HZ LYS 58 -1.329 9.173 -10.411
799 H ILE 59 H ILE 59 -2.918 3.246 -14.679
800 HA ILE 59 HA ILE 59 -1.595 2.226 -17.073
801 HB ILE 59 HB ILE 59 -2.717 0.816 -14.615
802 1HG1 ILE 59 1HG1 ILE 59 0.201 1.218 -15.300
803 2HG1 ILE 59 2HG1 ILE 59 -0.750 2.344 -14.321
804 1HG2 ILE 59 1HG2 ILE 59 -0.833 -0.348 -16.646
805 2HG2 ILE 59 2HG2 ILE 59 -1.644 -1.161 -15.293
806 3HG2 ILE 59 3HG2 ILE 59 -2.554 -0.762 -16.723
807 1HD1 ILE 59 1HD1 ILE 59 -1.214 0.312 -12.673
808 2HD1 ILE 59 2HD1 ILE 59 -0.077 -0.532 -13.627
809 3HD1 ILE 59 3HD1 ILE 59 0.267 1.064 -12.784
810 H GLN 60 H GLN 60 -4.954 1.474 -16.183
811 HA GLN 60 HA GLN 60 -5.631 0.224 -18.571
812 1HB GLN 60 1HB GLN 60 -7.243 2.093 -16.808
813 2HB GLN 60 2HB GLN 60 -7.942 1.308 -18.097
814 1HG GLN 60 1HG GLN 60 -8.240 -0.707 -17.023
815 2HG GLN 60 2HG GLN 60 -6.540 -0.578 -16.296
816 1HE2 GLN 60 1HE2 GLN 60 -7.111 -0.992 -14.082
817 2HE2 GLN 60 2HE2 GLN 60 -8.186 0.099 -13.260
818 H SER 61 H SER 61 -5.470 3.892 -18.220
819 HA SER 61 HA SER 61 -6.186 4.584 -20.936
820 1HB SER 61 1HB SER 61 -4.251 5.888 -19.068
821 2HB SER 61 2HB SER 61 -4.554 6.488 -20.641
822 HG SER 61 HG SER 61 -5.985 7.368 -19.024
823 H ASP 62 H ASP 62 -3.076 3.292 -19.708
824 HA ASP 62 HA ASP 62 -1.514 3.955 -22.144
825 1HB ASP 62 1HB ASP 62 -0.750 3.714 -19.610
826 2HB ASP 62 2HB ASP 62 -0.869 1.979 -19.936
827 H GLN 63 H GLN 63 -3.141 1.125 -20.905
828 HA GLN 63 HA GLN 63 -2.576 -0.360 -23.553
829 1HB GLN 63 1HB GLN 63 -2.241 -2.398 -22.269
830 2HB GLN 63 2HB GLN 63 -0.976 -1.071 -21.950
831 1HG GLN 63 1HG GLN 63 -2.060 -0.698 -19.789
832 2HG GLN 63 2HG GLN 63 -3.440 -1.751 -20.259
833 1HE2 GLN 63 1HE2 GLN 63 -2.962 -2.718 -18.099
834 2HE2 GLN 63 2HE2 GLN 63 -1.749 -3.914 -18.017
835 H HIS 64 H HIS 64 -5.228 0.700 -21.930
836 HA HIS 64 HA HIS 64 -6.783 -1.700 -22.846
837 1HB HIS 64 1HB HIS 64 -5.881 -1.299 -20.301
838 2HB HIS 64 2HB HIS 64 -7.439 -0.476 -20.267
839 HD1 HIS 64 HD1 HIS 64 -6.205 -4.003 -21.388
840 HD2 HIS 64 HD2 HIS 64 -9.560 -2.090 -19.789
841 HE1 HIS 64 HE1 HIS 64 -7.945 -5.820 -20.920
842 H LYS 65 H LYS 65 -6.694 1.761 -22.960
843 HA LYS 65 HA LYS 65 -9.725 1.802 -23.286
844 1HB LYS 65 1HB LYS 65 -7.689 3.580 -21.911
845 2HB LYS 65 2HB LYS 65 -9.204 4.219 -22.446
846 1HG LYS 65 1HG LYS 65 -10.367 2.578 -21.012
847 2HG LYS 65 2HG LYS 65 -8.776 1.896 -20.578
848 1HD LYS 65 1HD LYS 65 -9.663 3.105 -18.741
849 2HD LYS 65 2HD LYS 65 -8.168 3.720 -19.218
850 1HE LYS 65 1HE LYS 65 -10.723 5.123 -20.033
851 2HE LYS 65 2HE LYS 65 -9.849 5.455 -18.561
852 1HZ LYS 65 1HZ LYS 65 -9.285 7.033 -19.964
853 2HZ LYS 65 2HZ LYS 65 -9.092 6.111 -21.287
854 3HZ LYS 65 3HZ LYS 65 -7.948 6.114 -20.118
855 H ASP 66 H ASP 66 -10.429 3.450 -24.574
856 HA ASP 66 HA ASP 66 -8.680 4.805 -26.487
857 1HB ASP 66 1HB ASP 66 -9.579 2.628 -27.539
858 2HB ASP 66 2HB ASP 66 -11.148 3.533 -27.629
859 H GLN 67 H GLN 67 -9.134 6.853 -26.054
860 HA GLN 67 HA GLN 67 -11.961 7.915 -25.846
861 1HB GLN 67 1HB GLN 67 -11.773 8.946 -23.813
862 2HB GLN 67 2HB GLN 67 -11.208 7.282 -23.716
863 1HG GLN 67 1HG GLN 67 -9.325 9.790 -23.675
864 2HG GLN 67 2HG GLN 67 -9.878 8.845 -22.342
865 1HE2 GLN 67 2HE2 GLN 67 -7.559 9.122 -24.850
866 2HE2 GLN 67 1HE2 GLN 67 -6.690 7.604 -24.520
867 H SER 68 H SER 68 -9.284 8.084 -27.754
868 HA SER 68 HA SER 68 -9.579 10.867 -28.283
869 1HB SER 68 1HB SER 68 -6.902 9.881 -27.248
870 2HB SER 68 2HB SER 68 -7.262 11.460 -27.824
871 HG SER 68 HG SER 68 -9.034 10.800 -25.789
Start of MODEL 4
1 1H5* G 69 1H5* G 69 7.097 -25.567 -12.653
2 2H5* G 69 2H5* G 69 8.750 -25.146 -12.310
3 H4* G 69 H4* G 69 7.396 -23.270 -13.611
4 H3* G 69 H3* G 69 8.874 -22.285 -11.420
5 H1* G 69 H1* G 69 5.547 -21.286 -12.451
6 H8 G 69 H8 G 69 5.005 -22.918 -9.052
7 H1 G 69 H1 G 69 -0.479 -21.045 -11.915
8 1H2 G 69 1H2 G 69 1.612 -20.425 -14.647
9 2H2 G 69 2H2 G 69 0.022 -20.588 -13.928
10 H5T G 69 H5T G 69 8.184 -24.771 -10.178
11 1H2* G 69 1H2* G 69 6.906 -22.282 -9.968
12 2H2* G 69 2H2* G 69 6.967 -20.651 -10.662
13 1H5* C 70 1H5* C 70 7.826 -20.867 -15.744
14 2H5* C 70 2H5* C 70 8.867 -19.755 -16.602
15 H4* C 70 H4* C 70 6.687 -18.995 -16.678
16 H3* C 70 H3* C 70 8.598 -17.282 -15.237
17 H1* C 70 H1* C 70 4.699 -17.764 -14.976
18 1H4 C 70 1H4 C 70 3.590 -18.620 -8.678
19 2H4 C 70 2H4 C 70 2.398 -17.627 -9.543
20 H5 C 70 H5 C 70 5.771 -18.929 -9.800
21 H6 C 70 H6 C 70 6.857 -18.712 -12.041
22 1H2* C 70 1H2* C 70 7.206 -16.982 -13.420
23 2H2* C 70 2H2* C 70 6.163 -16.055 -14.548
24 1H5* T 71 1H5* T 71 4.922 -16.481 -17.111
25 2H5* T 71 2H5* T 71 4.789 -15.271 -18.393
26 H4* T 71 H4* T 71 2.659 -15.375 -17.360
27 H3* T 71 H3* T 71 4.040 -13.012 -17.307
28 1H2* T 71 1H2* T 71 4.061 -12.798 -14.833
29 2H2* T 71 2H2* T 71 2.425 -12.199 -15.103
30 H1* T 71 H1* T 71 1.565 -14.437 -15.001
31 H3 T 71 H3 T 71 1.931 -14.836 -10.224
32 1H5M T 71 1H5M T 71 6.903 -14.735 -12.134
33 2H5M T 71 2H5M T 71 6.399 -13.940 -10.595
34 3H5M T 71 3H5M T 71 6.427 -15.731 -10.810
35 H6 T 71 H6 T 71 5.239 -14.466 -13.706
36 1H5* C 72 1H5* C 72 0.105 -12.757 -15.988
37 2H5* C 72 2H5* C 72 -0.984 -11.637 -16.857
38 H4* C 72 H4* C 72 -1.913 -11.694 -14.814
39 H3* C 72 H3* C 72 -0.688 -9.217 -15.331
40 H1* C 72 H1* C 72 -1.120 -11.169 -12.010
41 1H4 C 72 1H4 C 72 5.154 -11.663 -9.903
42 2H4 C 72 2H4 C 72 4.079 -12.408 -8.709
43 H5 C 72 H5 C 72 4.252 -10.839 -12.112
44 H6 C 72 H6 C 72 2.260 -10.734 -13.421
45 1H2* C 72 1H2* C 72 0.557 -8.997 -13.295
46 2H2* C 72 2H2* C 72 -0.871 -8.915 -12.458
47 1H5* T 73 1H5* T 73 -3.382 -9.484 -11.854
48 2H5* T 73 2H5* T 73 -5.002 -8.866 -11.940
49 H4* T 73 H4* T 73 -4.334 -8.525 -9.577
50 H3* T 73 H3* T 73 -4.294 -6.139 -11.156
51 1H2* T 73 1H2* T 73 -2.005 -6.205 -11.224
52 2H2* T 73 2H2* T 73 -2.311 -5.052 -9.789
53 H1* T 73 H1* T 73 -2.367 -7.094 -8.296
54 H3 T 73 H3 T 73 1.778 -9.247 -7.514
55 1H5M T 73 1H5M T 73 2.846 -8.007 -11.866
56 2H5M T 73 2H5M T 73 1.991 -6.397 -12.152
57 3H5M T 73 3H5M T 73 3.395 -6.530 -11.087
58 H6 T 73 H6 T 73 0.066 -6.400 -10.976
59 1H5* A 74 1H5* A 74 -4.845 -6.582 -6.600
60 2H5* A 74 2H5* A 74 -5.723 -5.302 -5.725
61 H4* A 74 H4* A 74 -3.852 -6.265 -4.489
62 H3* A 74 H3* A 74 -4.412 -3.486 -4.573
63 H1* A 74 H1* A 74 -1.131 -5.039 -4.407
64 H8 A 74 H8 A 74 -1.094 -3.625 -8.061
65 1H6 A 74 1H6 A 74 4.693 -5.968 -8.034
66 2H6 A 74 2H6 A 74 3.683 -4.931 -8.993
67 H2 A 74 H2 A 74 2.929 -6.906 -4.263
68 1H2* A 74 1H2* A 74 -2.762 -3.113 -6.248
69 2H2* A 74 2H2* A 74 -2.014 -2.641 -4.651
70 1H5* A 75 1H5* A 75 -2.588 -6.429 -1.068
71 2H5* A 75 2H5* A 75 -2.799 -6.169 0.648
72 H4* A 75 H4* A 75 -0.396 -6.127 0.266
73 H3* A 75 H3* A 75 -1.390 -3.517 1.157
74 H1* A 75 H1* A 75 1.551 -4.996 -0.780
75 H8 A 75 H8 A 75 -0.713 -2.531 -2.594
76 1H6 A 75 1H6 A 75 4.028 -2.632 -6.738
77 2H6 A 75 2H6 A 75 2.492 -1.916 -6.468
78 H2 A 75 H2 A 75 5.457 -4.557 -3.147
79 1H2* A 75 1H2* A 75 0.483 -2.478 0.106
80 2H2* A 75 2H2* A 75 1.584 -3.669 0.799
81 1H5* T 76 1H5* T 76 2.620 -5.565 2.372
82 2H5* T 76 2H5* T 76 3.041 -5.333 3.979
83 H4* T 76 H4* T 76 5.000 -5.118 2.433
84 H3* T 76 H3* T 76 4.285 -3.212 4.362
85 1H2* T 76 1H2* T 76 3.945 -1.464 2.674
86 2H2* T 76 2H2* T 76 5.670 -1.229 2.786
87 H1* T 76 H1* T 76 6.057 -2.967 1.199
88 H3 T 76 H3 T 76 5.721 -0.559 -2.806
89 1H5M T 76 1H5M T 76 1.009 -0.137 -0.064
90 2H5M T 76 2H5M T 76 1.623 1.315 -0.801
91 3H5M T 76 3H5M T 76 1.073 -0.022 -1.836
92 H6 T 76 H6 T 76 2.633 -1.392 0.811
93 1H5* C 77 1H5* C 77 8.883 -2.936 2.846
94 2H5* C 77 2H5* C 77 9.921 -2.408 4.030
95 H4* C 77 H4* C 77 10.635 -1.578 2.002
96 H3* C 77 H3* C 77 10.280 0.135 4.223
97 H1* C 77 H1* C 77 9.681 1.025 0.430
98 1H4 C 77 1H4 C 77 3.569 2.982 -0.505
99 2H4 C 77 2H4 C 77 4.501 3.067 -1.995
100 H5 C 77 H5 C 77 4.629 2.050 1.611
101 H6 C 77 H6 C 77 6.658 1.020 2.484
102 1H2* C 77 1H2* C 77 8.449 1.201 3.266
103 2H2* C 77 2H2* C 77 9.750 2.253 2.678
104 1H5* C 78 1H5* C 78 13.120 1.042 0.293
105 2H5* C 78 2H5* C 78 14.379 2.221 0.729
106 H4* C 78 H4* C 78 13.350 2.531 -1.511
107 H3* C 78 H3* C 78 13.856 4.507 0.713
108 H1* C 78 H1* C 78 11.188 4.589 -2.275
109 1H4 C 78 1H4 C 78 5.683 5.838 1.302
110 2H4 C 78 2H4 C 78 5.425 5.797 -0.512
111 H5 C 78 H5 C 78 7.979 4.742 2.050
112 H6 C 78 H6 C 78 10.118 4.113 1.389
113 1H2* C 78 1H2* C 78 11.907 5.511 0.417
114 2H2* C 78 2H2* C 78 12.585 6.160 -1.101
115 1H5* C 79 1H5* C 79 13.498 5.692 -3.752
116 2H5* C 79 2H5* C 79 14.904 6.580 -4.419
117 H4* C 79 H4* C 79 13.113 7.564 -5.261
118 H3* C 79 H3* C 79 14.344 9.213 -3.051
119 H1* C 79 H1* C 79 10.926 9.110 -4.454
120 1H4 C 79 1H4 C 79 6.983 8.283 0.777
121 2H4 C 79 2H4 C 79 5.915 9.051 -0.384
122 H5 C 79 H5 C 79 9.289 7.712 0.561
123 H6 C 79 H6 C 79 11.122 7.636 -0.916
124 1H2* C 79 1H2* C 79 12.418 9.403 -1.866
125 2H2* C 79 2H2* C 79 12.022 10.655 -3.025
126 1H5* C 80 1H5* C 80 12.000 10.771 -6.682
127 2H5* C 80 2H5* C 80 12.996 11.974 -7.428
128 H4* C 80 H4* C 80 10.877 12.365 -8.056
129 H3* C 80 H3* C 80 12.386 14.391 -6.797
130 H1* C 80 H1* C 80 8.773 14.006 -5.722
131 1H4 C 80 1H4 C 80 9.436 11.833 0.646
132 2H4 C 80 2H4 C 80 7.780 12.339 0.412
133 H5 C 80 H5 C 80 11.077 12.115 -1.151
134 H6 C 80 H6 C 80 11.445 12.683 -3.477
135 1H2* C 80 1H2* C 80 11.411 14.466 -4.682
136 2H2* C 80 2H2* C 80 10.287 15.527 -5.337
137 1H5* G 81 1H5* G 81 8.263 16.050 -8.288
138 2H5* G 81 2H5* G 81 8.432 17.682 -8.810
139 H4* G 81 H4* G 81 6.847 17.764 -7.225
140 H3* G 81 H3* G 81 9.096 19.403 -6.882
141 H1* G 81 H1* G 81 7.027 17.948 -4.466
142 H8 G 81 H8 G 81 10.396 16.705 -3.258
143 H1 G 81 H1 G 81 5.490 15.205 0.475
144 1H2 G 81 1H2 G 81 3.650 16.084 -2.125
145 2H2 G 81 2H2 G 81 3.771 16.062 -0.357
146 H3T G 81 H3T G 81 7.426 20.734 -5.959
147 1H2* G 81 1H2* G 81 10.006 18.018 -5.149
148 2H2* G 81 2H2* G 81 9.074 19.324 -4.258
149 1H5* C 82 1H5* C 82 -1.328 16.635 5.914
150 2H5* C 82 2H5* C 82 -2.449 15.347 6.023
151 H4* C 82 H4* C 82 -1.561 15.398 3.799
152 H3* C 82 H3* C 82 -0.614 12.917 5.229
153 H1* C 82 H1* C 82 0.777 15.037 2.295
154 1H4 C 82 1H4 C 82 6.933 14.363 4.283
155 2H4 C 82 2H4 C 82 6.817 14.563 2.541
156 H5 C 82 H5 C 82 4.827 13.857 5.608
157 H6 C 82 H6 C 82 2.328 14.078 5.352
158 H5T C 82 H5T C 82 0.292 14.973 6.740
159 1H2* C 82 1H2* C 82 0.831 12.530 3.737
160 2H2* C 82 2H2* C 82 -0.198 13.146 2.328
161 1H5* G 83 1H5* G 83 -2.601 13.128 1.326
162 2H5* G 83 2H5* G 83 -3.811 11.884 0.967
163 H4* G 83 H4* G 83 -2.963 12.433 -1.073
164 H3* G 83 H3* G 83 -2.776 9.828 -0.298
165 H1* G 83 H1* G 83 0.151 11.702 -1.883
166 H8 G 83 H8 G 83 0.710 11.034 1.690
167 H1 G 83 H1 G 83 5.966 12.778 -1.608
168 1H2 G 83 1H2 G 83 3.601 13.385 -4.035
169 2H2 G 83 2H2 G 83 5.312 13.492 -3.654
170 1H2* G 83 1H2* G 83 -0.555 9.821 0.567
171 2H2* G 83 2H2* G 83 -0.322 9.274 -1.010
172 1H5* G 84 1H5* G 84 -1.567 12.073 -4.021
173 2H5* G 84 2H5* G 84 -2.770 12.540 -5.136
174 H4* G 84 H4* G 84 -1.286 12.543 -6.723
175 H3* G 84 H3* G 84 -2.498 10.249 -6.911
176 H1* G 84 H1* G 84 1.409 10.065 -6.794
177 H8 G 84 H8 G 84 -0.368 9.091 -3.551
178 H1 G 84 H1 G 84 5.966 9.700 -2.798
179 1H2 G 84 1H2 G 84 6.048 10.318 -6.085
180 2H2 G 84 2H2 G 84 6.857 10.118 -4.498
181 1H2* G 84 1H2* G 84 -1.029 8.896 -5.518
182 2H2* G 84 2H2* G 84 -0.455 8.510 -7.108
183 1H5* G 85 1H5* G 85 1.568 10.404 -8.981
184 2H5* G 85 2H5* G 85 1.635 9.942 -10.658
185 H4* G 85 H4* G 85 3.547 9.046 -9.888
186 H3* G 85 H3* G 85 1.583 7.085 -10.547
187 H1* G 85 H1* G 85 4.173 6.975 -8.041
188 H8 G 85 H8 G 85 1.085 6.350 -5.978
189 H1 G 85 H1 G 85 6.623 5.865 -2.947
190 1H2 G 85 1H2 G 85 7.976 6.587 -5.983
191 2H2 G 85 2H2 G 85 8.257 6.159 -4.326
192 1H2* G 85 1H2* G 85 1.262 6.396 -8.221
193 2H2* G 85 2H2* G 85 2.660 5.295 -8.651
194 1H5* G 86 1H5* G 86 6.541 6.510 -10.932
195 2H5* G 86 2H5* G 86 6.297 5.713 -12.509
196 H4* G 86 H4* G 86 8.495 5.260 -11.543
197 H3* G 86 H3* G 86 6.748 3.167 -12.430
198 H1* G 86 H1* G 86 8.225 2.717 -8.854
199 H8 G 86 H8 G 86 4.443 3.655 -9.254
200 H1 G 86 H1 G 86 6.409 2.710 -3.198
201 1H2 G 86 1H2 G 86 9.660 2.520 -4.582
202 2H2 G 86 2H2 G 86 8.670 2.059 -3.294
203 1H2* G 86 1H2* G 86 5.741 2.490 -10.589
204 2H2* G 86 2H2* G 86 7.076 1.491 -10.605
205 1H5* A 87 1H5* A 87 10.810 1.997 -10.316
206 2H5* A 87 2H5* A 87 11.836 1.259 -11.592
207 H4* A 87 H4* A 87 12.658 0.397 -9.527
208 H3* A 87 H3* A 87 11.574 -1.245 -11.334
209 H1* A 87 H1* A 87 10.536 -1.669 -7.605
210 H8 A 87 H8 A 87 7.814 -0.443 -9.980
211 1H6 A 87 1H6 A 87 4.422 -0.128 -4.996
212 2H6 A 87 2H6 A 87 4.576 0.507 -6.604
213 H2 A 87 H2 A 87 8.528 -1.244 -3.679
214 1H2* A 87 1H2* A 87 9.492 -1.467 -10.437
215 2H2* A 87 2H2* A 87 10.176 -2.785 -9.503
216 1H5* T 88 1H5* T 88 13.407 -2.562 -7.568
217 2H5* T 88 2H5* T 88 14.557 -3.841 -7.445
218 H4* T 88 H4* T 88 13.132 -3.796 -5.285
219 H3* T 88 H3* T 88 13.313 -6.032 -6.850
220 1H2* T 88 1H2* T 88 11.133 -6.060 -7.473
221 2H2* T 88 2H2* T 88 10.597 -6.786 -5.877
222 H1* T 88 H1* T 88 10.449 -4.687 -4.853
223 H3 T 88 H3 T 88 6.145 -3.358 -5.394
224 1H5M T 88 1H5M T 88 6.966 -3.219 -10.008
225 2H5M T 88 2H5M T 88 8.422 -4.022 -10.281
226 3H5M T 88 3H5M T 88 6.958 -5.004 -10.180
227 H6 T 88 H6 T 88 9.665 -4.642 -8.405
228 1H5* T 89 1H5* T 89 11.235 -5.659 -2.971
229 2H5* T 89 2H5* T 89 12.258 -6.561 -1.800
230 H4* T 89 H4* T 89 10.175 -6.008 -0.948
231 H3* T 89 H3* T 89 11.043 -8.751 -1.154
232 1H2* T 89 1H2* T 89 9.843 -9.223 -3.125
233 2H2* T 89 2H2* T 89 8.608 -9.829 -1.975
234 H1* T 89 H1* T 89 7.390 -7.875 -1.892
235 H3 T 89 H3 T 89 5.045 -6.953 -5.940
236 1H5M T 89 1H5M T 89 8.502 -8.852 -8.179
237 2H5M T 89 2H5M T 89 9.236 -7.177 -7.962
238 3H5M T 89 3H5M T 89 9.981 -8.628 -7.159
239 H6 T 89 H6 T 89 9.555 -8.316 -4.910
240 1H5* A 90 1H5* A 90 6.700 -7.934 0.524
241 2H5* A 90 2H5* A 90 6.656 -8.854 1.997
242 H4* A 90 H4* A 90 4.446 -8.995 0.995
243 H3* A 90 H3* A 90 5.712 -11.303 1.683
244 H1* A 90 H1* A 90 3.513 -10.648 -1.332
245 H8 A 90 H8 A 90 6.831 -11.627 -2.743
246 1H6 A 90 1H6 A 90 4.230 -9.718 -8.026
247 2H6 A 90 2H6 A 90 5.726 -10.508 -7.447
248 H2 A 90 H2 A 90 1.414 -9.109 -5.031
249 1H2* A 90 1H2* A 90 6.266 -11.833 -0.543
250 2H2* A 90 2H2* A 90 4.625 -12.662 -0.515
251 1H5* G 91 1H5* G 91 1.151 -11.070 1.045
252 2H5* G 91 2H5* G 91 0.246 -12.164 2.067
253 H4* G 91 H4* G 91 -0.960 -11.649 0.051
254 H3* G 91 H3* G 91 -0.523 -14.462 0.783
255 H1* G 91 H1* G 91 -0.914 -12.861 -2.777
256 H8 G 91 H8 G 91 2.811 -13.996 -1.826
257 H1 G 91 H1 G 91 1.884 -12.199 -7.869
258 1H2 G 91 1H2 G 91 -1.172 -11.131 -6.625
259 2H2 G 91 2H2 G 91 -0.112 -11.316 -8.021
260 1H2* G 91 1H2* G 91 0.611 -14.851 -1.066
261 2H2* G 91 2H2* G 91 -0.890 -15.076 -1.891
262 1H5* A 92 1H5* A 92 -3.588 -12.518 -2.089
263 2H5* A 92 2H5* A 92 -5.086 -13.336 -1.805
264 H4* A 92 H4* A 92 -4.753 -12.459 -4.132
265 H3* A 92 H3* A 92 -5.828 -14.781 -3.512
266 H1* A 92 H1* A 92 -3.441 -14.275 -6.527
267 H8 A 92 H8 A 92 -1.661 -16.006 -3.805
268 1H6 A 92 1H6 A 92 2.905 -15.913 -7.887
269 2H6 A 92 2H6 A 92 2.527 -16.628 -6.292
270 H2 A 92 H2 A 92 -0.484 -14.467 -9.847
271 1H2* A 92 1H2* A 92 -3.966 -16.110 -4.026
272 2H2* A 92 2H2* A 92 -4.563 -16.287 -5.682
273 1H5* G 93 1H5* G 93 -5.441 -13.319 -7.870
274 2H5* G 93 2H5* G 93 -7.092 -13.253 -8.567
275 H4* G 93 H4* G 93 -5.563 -13.290 -10.431
276 H3* G 93 H3* G 93 -7.675 -15.186 -10.163
277 H1* G 93 H1* G 93 -4.219 -15.819 -11.525
278 H8 G 93 H8 G 93 -4.501 -17.327 -8.089
279 H1 G 93 H1 G 93 1.089 -18.571 -11.003
280 1H2 G 93 1H2 G 93 -0.498 -17.222 -13.618
281 2H2 G 93 2H2 G 93 0.882 -18.040 -13.018
282 1H2* G 93 1H2* G 93 -6.100 -16.841 -9.260
283 2H2* G 93 2H2* G 93 -5.977 -17.364 -10.939
284 1H5* C 94 1H5* C 94 -4.689 -15.366 -13.692
285 2H5* C 94 2H5* C 94 -5.796 -14.819 -14.955
286 H4* C 94 H4* C 94 -4.002 -16.008 -15.897
287 H3* C 94 H3* C 94 -6.553 -17.169 -16.257
288 H1* C 94 H1* C 94 -3.300 -19.180 -15.289
289 1H4 C 94 1H4 C 94 -3.670 -21.556 -9.113
290 2H4 C 94 2H4 C 94 -2.185 -21.978 -10.011
291 H5 C 94 H5 C 94 -5.159 -19.894 -10.211
292 H6 C 94 H6 C 94 -5.756 -18.801 -12.303
293 H3T C 94 H3T C 94 -5.046 -17.109 -18.085
294 1H2* C 94 1H2* C 94 -6.206 -18.744 -14.500
295 2H2* C 94 2H2* C 94 -5.551 -19.781 -15.858
296 1H GLY 1 1H GLY 1 2.157 -5.408 8.884
297 2H GLY 1 2H GLY 1 2.665 -6.871 8.494
298 3H GLY 1 3H GLY 1 1.225 -6.786 9.225
299 1HA GLY 1 1HA GLY 1 1.921 -5.591 6.596
300 2HA GLY 1 2HA GLY 1 1.148 -7.183 6.733
301 HA PRO 2 HA PRO 2 -1.915 -3.621 8.324
302 1HB PRO 2 1HB PRO 2 -1.439 -1.905 5.877
303 2HB PRO 2 2HB PRO 2 -2.090 -1.425 7.486
304 1HG PRO 2 1HG PRO 2 0.690 -1.173 6.855
305 2HG PRO 2 2HG PRO 2 0.132 -1.620 8.494
306 1HD PRO 2 1HD PRO 2 0.969 -3.193 6.092
307 2HD PRO 2 2HD PRO 2 1.625 -3.472 7.728
308 H ARG 3 H ARG 3 -1.411 -4.658 4.931
309 HA ARG 3 HA ARG 3 -4.220 -5.600 4.778
310 1HB ARG 3 1HB ARG 3 -2.870 -3.675 2.986
311 2HB ARG 3 2HB ARG 3 -2.885 -5.191 2.183
312 1HG ARG 3 1HG ARG 3 -5.283 -3.714 3.611
313 2HG ARG 3 2HG ARG 3 -4.963 -3.520 1.931
314 1HD ARG 3 1HD ARG 3 -5.708 -6.067 3.237
315 2HD ARG 3 2HD ARG 3 -6.770 -5.077 2.352
316 HE ARG 3 HE ARG 3 -5.059 -5.510 0.306
317 1HH1 ARG 3 2HH1 ARG 3 -6.001 -7.791 2.695
318 2HH1 ARG 3 1HH1 ARG 3 -6.131 -9.081 1.560
319 1HH2 ARG 3 2HH2 ARG 3 -4.937 -7.252 -1.032
320 2HH2 ARG 3 1HH2 ARG 3 -5.602 -8.769 -0.457
321 H ARG 4 H ARG 4 -0.874 -6.190 4.065
322 HA ARG 4 HA ARG 4 -1.052 -8.805 3.019
323 1HB ARG 4 1HB ARG 4 1.001 -7.074 3.375
324 2HB ARG 4 2HB ARG 4 1.031 -7.647 4.961
325 1HG ARG 4 1HG ARG 4 1.394 -10.044 4.079
326 2HG ARG 4 2HG ARG 4 1.303 -9.307 2.471
327 1HD ARG 4 1HD ARG 4 3.498 -9.874 3.283
328 2HD ARG 4 2HD ARG 4 3.446 -8.124 2.858
329 HE ARG 4 HE ARG 4 4.068 -7.773 5.132
330 1HH1 ARG 4 2HH1 ARG 4 3.060 -11.149 4.794
331 2HH1 ARG 4 1HH1 ARG 4 3.794 -11.490 6.348
332 1HH2 ARG 4 2HH2 ARG 4 4.461 -8.385 7.298
333 2HH2 ARG 4 1HH2 ARG 4 4.499 -10.069 7.642
334 H THR 5 H THR 5 -1.203 -7.825 6.417
335 HA THR 5 HA THR 5 -1.710 -10.754 7.109
336 HB THR 5 HB THR 5 -0.399 -10.450 9.149
337 HG1 THR 5 HG1 THR 5 -0.535 -8.349 9.741
338 1HG2 THR 5 1HG2 THR 5 1.197 -9.391 6.812
339 2HG2 THR 5 2HG2 THR 5 0.813 -10.992 7.215
340 3HG2 THR 5 3HG2 THR 5 1.877 -10.078 8.285
341 H ARG 6 H ARG 6 -2.584 -7.525 7.629
342 HA ARG 6 HA ARG 6 -4.667 -8.173 9.666
343 1HB ARG 6 1HB ARG 6 -2.613 -7.297 10.637
344 2HB ARG 6 2HB ARG 6 -3.021 -5.749 9.891
345 1HG ARG 6 1HG ARG 6 -5.372 -6.813 11.155
346 2HG ARG 6 2HG ARG 6 -4.156 -7.250 12.191
347 1HD ARG 6 1HD ARG 6 -5.021 -5.182 13.095
348 2HD ARG 6 2HD ARG 6 -3.562 -4.540 12.218
349 HE ARG 6 HE ARG 6 -5.521 -4.518 10.409
350 1HH1 ARG 6 2HH1 ARG 6 -4.966 -3.038 13.584
351 2HH1 ARG 6 1HH1 ARG 6 -5.631 -1.436 13.163
352 1HH2 ARG 6 2HH2 ARG 6 -6.653 -2.521 10.142
353 2HH2 ARG 6 1HH2 ARG 6 -6.544 -1.213 11.313
354 H THR 7 H THR 7 -5.113 -7.685 6.820
355 HA THR 7 HA THR 7 -7.646 -6.472 7.162
356 HB THR 7 HB THR 7 -6.005 -4.924 5.071
357 HG1 THR 7 HG1 THR 7 -5.488 -4.120 6.958
358 1HG2 THR 7 1HG2 THR 7 -8.024 -3.464 4.888
359 2HG2 THR 7 2HG2 THR 7 -8.999 -4.718 5.667
360 3HG2 THR 7 3HG2 THR 7 -8.156 -5.075 4.222
361 H THR 8 H THR 8 -9.106 -7.232 5.930
362 HA THR 8 HA THR 8 -8.589 -8.334 3.223
363 HB THR 8 HB THR 8 -10.250 -9.569 5.526
364 HG1 THR 8 HG1 THR 8 -8.892 -11.041 5.533
365 1HG2 THR 8 1HG2 THR 8 -10.318 -10.268 2.635
366 2HG2 THR 8 2HG2 THR 8 -11.708 -9.845 3.695
367 3HG2 THR 8 3HG2 THR 8 -10.900 -11.354 3.937
368 H PHE 9 H PHE 9 -9.925 -7.057 1.887
369 HA PHE 9 HA PHE 9 -11.748 -5.157 3.086
370 1HB PHE 9 1HB PHE 9 -11.294 -5.825 0.241
371 2HB PHE 9 2HB PHE 9 -12.344 -4.575 0.718
372 HD1 PHE 9 HD1 PHE 9 -11.526 -2.502 1.570
373 HD2 PHE 9 HD2 PHE 9 -8.627 -5.474 0.434
374 HE1 PHE 9 HE1 PHE 9 -9.925 -0.785 1.468
375 HE2 PHE 9 HE2 PHE 9 -6.981 -3.564 -0.004
376 HZ PHE 9 HZ PHE 9 -7.604 -1.237 0.466
377 H THR 10 H THR 10 -13.840 -5.081 2.596
378 HA THR 10 HA THR 10 -15.279 -7.531 1.518
379 HB THR 10 HB THR 10 -17.230 -6.943 2.744
380 HG1 THR 10 HG1 THR 10 -16.792 -5.105 4.293
381 1HG2 THR 10 1HG2 THR 10 -14.927 -6.537 4.534
382 2HG2 THR 10 2HG2 THR 10 -15.663 -8.079 3.993
383 3HG2 THR 10 3HG2 THR 10 -16.636 -7.100 5.045
384 H SER 11 H SER 11 -17.343 -6.994 0.165
385 HA SER 11 HA SER 11 -17.269 -5.072 -1.840
386 1HB SER 11 1HB SER 11 -19.441 -6.678 -0.684
387 2HB SER 11 2HB SER 11 -19.741 -5.452 -1.905
388 HG SER 11 HG SER 11 -17.866 -7.482 -1.945
389 H SER 12 H SER 12 -18.954 -4.961 1.308
390 HA SER 12 HA SER 12 -20.321 -2.407 1.105
391 1HB SER 12 1HB SER 12 -19.027 -3.231 3.680
392 2HB SER 12 2HB SER 12 -20.319 -2.254 3.314
393 HG SER 12 HG SER 12 -21.246 -4.355 3.907
394 H GLN 13 H GLN 13 -16.935 -3.134 2.532
395 HA GLN 13 HA GLN 13 -16.130 -0.450 2.995
396 1HB GLN 13 1HB GLN 13 -14.446 -2.879 2.423
397 2HB GLN 13 2HB GLN 13 -14.016 -1.243 2.830
398 1HG GLN 13 1HG GLN 13 -15.230 -1.439 4.836
399 2HG GLN 13 2HG GLN 13 -15.803 -3.115 4.440
400 1HE2 GLN 13 1HE2 GLN 13 -13.680 -1.482 6.251
401 2HE2 GLN 13 2HE2 GLN 13 -12.230 -2.460 6.130
402 H ILE 14 H ILE 14 -15.399 -2.433 0.046
403 HA ILE 14 HA ILE 14 -14.297 -0.278 -1.475
404 HB ILE 14 HB ILE 14 -15.865 -2.858 -2.321
405 1HG1 ILE 14 1HG1 ILE 14 -12.846 -2.337 -2.364
406 2HG1 ILE 14 2HG1 ILE 14 -13.843 -3.178 -1.095
407 1HG2 ILE 14 1HG2 ILE 14 -14.466 -0.874 -4.262
408 2HG2 ILE 14 2HG2 ILE 14 -14.746 -2.411 -4.587
409 3HG2 ILE 14 3HG2 ILE 14 -16.219 -1.474 -4.296
410 1HD1 ILE 14 1HD1 ILE 14 -14.627 -4.555 -3.366
411 2HD1 ILE 14 2HD1 ILE 14 -12.876 -4.214 -3.749
412 3HD1 ILE 14 3HD1 ILE 14 -13.481 -5.023 -2.282
413 H ALA 15 H ALA 15 -17.581 -0.867 -0.877
414 HA ALA 15 HA ALA 15 -18.622 0.815 -2.922
415 1HB ALA 15 1HB ALA 15 -19.868 -0.202 -0.421
416 2HB ALA 15 2HB ALA 15 -20.770 0.668 -1.698
417 3HB ALA 15 3HB ALA 15 -20.008 -0.884 -2.068
418 H GLU 16 H GLU 16 -18.210 1.200 0.552
419 HA GLU 16 HA GLU 16 -19.024 4.071 0.764
420 1HB GLU 16 1HB GLU 16 -16.921 2.334 2.229
421 2HB GLU 16 2HB GLU 16 -17.409 4.010 2.579
422 1HG GLU 16 1HG GLU 16 -18.903 1.461 3.009
423 2HG GLU 16 2HG GLU 16 -18.022 2.337 4.252
424 H LEU 17 H LEU 17 -16.009 2.362 0.074
425 HA LEU 17 HA LEU 17 -14.281 4.658 0.044
426 1HB LEU 17 1HB LEU 17 -13.926 1.802 -1.161
427 2HB LEU 17 2HB LEU 17 -12.896 3.054 -1.628
428 HG LEU 17 HG LEU 17 -13.598 2.444 1.247
429 1HD1 LEU 17 1HD1 LEU 17 -12.045 0.937 1.668
430 2HD1 LEU 17 2HD1 LEU 17 -10.993 1.150 0.323
431 3HD1 LEU 17 3HD1 LEU 17 -12.631 0.338 0.218
432 1HD2 LEU 17 1HD2 LEU 17 -10.971 3.547 0.114
433 2HD2 LEU 17 2HD2 LEU 17 -11.363 3.161 1.861
434 3HD2 LEU 17 3HD2 LEU 17 -12.295 4.397 1.004
435 H GLU 18 H GLU 18 -15.747 2.880 -2.885
436 HA GLU 18 HA GLU 18 -15.377 5.024 -4.683
437 1HB GLU 18 1HB GLU 18 -17.674 3.005 -4.432
438 2HB GLU 18 2HB GLU 18 -17.482 4.165 -5.727
439 1HG GLU 18 1HG GLU 18 -14.941 3.174 -5.797
440 2HG GLU 18 2HG GLU 18 -15.642 1.842 -4.960
441 H GLN 19 H GLN 19 -17.986 4.967 -2.210
442 HA GLN 19 HA GLN 19 -19.337 7.117 -3.507
443 1HB GLN 19 1HB GLN 19 -20.354 5.244 -1.986
444 2HB GLN 19 2HB GLN 19 -19.618 6.082 -0.557
445 1HG GLN 19 1HG GLN 19 -21.917 6.431 -0.717
446 2HG GLN 19 2HG GLN 19 -21.066 7.934 -0.937
447 1HE2 GLN 19 1HE2 GLN 19 -21.997 9.214 -2.503
448 2HE2 GLN 19 2HE2 GLN 19 -22.702 8.524 -4.035
449 H HIS 20 H HIS 20 -17.172 7.116 -0.772
450 HA HIS 20 HA HIS 20 -17.402 10.032 -0.326
451 1HB HIS 20 1HB HIS 20 -15.607 8.008 0.857
452 2HB HIS 20 2HB HIS 20 -15.756 9.736 1.319
453 HD1 HIS 20 HD1 HIS 20 -18.128 10.670 2.107
454 HD2 HIS 20 HD2 HIS 20 -17.742 6.472 1.928
455 HE1 HIS 20 HE1 HIS 20 -20.073 9.653 3.196
456 H PHE 21 H PHE 21 -14.968 7.896 -1.877
457 HA PHE 21 HA PHE 21 -13.206 9.701 -3.211
458 1HB PHE 21 1HB PHE 21 -12.803 7.574 -3.531
459 2HB PHE 21 2HB PHE 21 -14.478 7.180 -4.082
460 HD1 PHE 21 HD1 PHE 21 -15.212 7.736 -6.372
461 HD2 PHE 21 HD2 PHE 21 -11.201 8.567 -5.102
462 HE1 PHE 21 HE1 PHE 21 -14.740 8.492 -8.553
463 HE2 PHE 21 HE2 PHE 21 -10.542 8.751 -7.433
464 HZ PHE 21 HZ PHE 21 -12.305 8.808 -9.231
465 H LEU 22 H LEU 22 -16.659 9.069 -4.258
466 HA LEU 22 HA LEU 22 -16.440 10.522 -6.569
467 1HB LEU 22 1HB LEU 22 -19.088 10.679 -4.980
468 2HB LEU 22 2HB LEU 22 -18.822 10.912 -6.701
469 HG LEU 22 HG LEU 22 -18.343 8.338 -5.354
470 1HD1 LEU 22 1HD1 LEU 22 -20.914 9.336 -5.455
471 2HD1 LEU 22 2HD1 LEU 22 -20.580 7.652 -5.942
472 3HD1 LEU 22 3HD1 LEU 22 -20.663 8.997 -7.168
473 1HD2 LEU 22 1HD2 LEU 22 -18.756 7.516 -7.760
474 2HD2 LEU 22 2HD2 LEU 22 -17.259 8.583 -7.668
475 3HD2 LEU 22 3HD2 LEU 22 -18.738 9.181 -8.257
476 H GLN 23 H GLN 23 -16.536 11.717 -3.465
477 HA GLN 23 HA GLN 23 -17.324 14.629 -3.867
478 1HB GLN 23 1HB GLN 23 -16.415 13.375 -1.393
479 2HB GLN 23 2HB GLN 23 -17.371 14.818 -1.576
480 1HG GLN 23 1HG GLN 23 -18.274 11.885 -1.638
481 2HG GLN 23 2HG GLN 23 -18.889 13.177 -0.698
482 1HE2 GLN 23 1HE2 GLN 23 -20.129 11.106 -2.650
483 2HE2 GLN 23 2HE2 GLN 23 -21.065 12.049 -3.724
484 H GLY 24 H GLY 24 -14.580 12.736 -3.676
485 1HA GLY 24 1HA GLY 24 -12.680 14.789 -4.267
486 2HA GLY 24 2HA GLY 24 -12.462 14.248 -2.626
487 H ARG 25 H ARG 25 -11.579 13.616 -5.693
488 HA ARG 25 HA ARG 25 -11.359 10.737 -5.997
489 1HB ARG 25 1HB ARG 25 -10.519 13.156 -7.560
490 2HB ARG 25 2HB ARG 25 -10.180 11.475 -7.916
491 1HG ARG 25 1HG ARG 25 -12.019 12.318 -9.413
492 2HG ARG 25 2HG ARG 25 -12.758 11.210 -8.407
493 1HD ARG 25 1HD ARG 25 -14.222 13.000 -8.594
494 2HD ARG 25 2HD ARG 25 -13.741 12.954 -6.979
495 HE ARG 25 HE ARG 25 -11.920 14.726 -8.364
496 1HH1 ARG 25 2HH1 ARG 25 -15.102 14.657 -7.076
497 2HH1 ARG 25 1HH1 ARG 25 -15.163 16.381 -6.765
498 1HH2 ARG 25 2HH2 ARG 25 -11.880 16.986 -7.806
499 2HH2 ARG 25 1HH2 ARG 25 -13.465 17.632 -7.429
500 H TYR 26 H TYR 26 -9.639 12.955 -4.243
501 HA TYR 26 HA TYR 26 -7.182 11.246 -4.263
502 1HB TYR 26 1HB TYR 26 -7.218 14.306 -4.334
503 2HB TYR 26 2HB TYR 26 -5.768 13.344 -4.150
504 HD1 TYR 26 HD1 TYR 26 -4.725 12.310 -5.953
505 HD2 TYR 26 HD2 TYR 26 -8.602 14.133 -6.505
506 HE1 TYR 26 HE1 TYR 26 -4.687 11.779 -8.326
507 HE2 TYR 26 HE2 TYR 26 -8.583 13.374 -8.884
508 HH TYR 26 HH TYR 26 -5.717 11.727 -10.329
509 H LEU 27 H LEU 27 -5.885 11.260 -2.209
510 HA LEU 27 HA LEU 27 -7.701 11.622 0.145
511 1HB LEU 27 1HB LEU 27 -5.247 9.868 -0.386
512 2HB LEU 27 2HB LEU 27 -5.666 10.469 1.283
513 HG LEU 27 HG LEU 27 -7.602 9.074 -0.420
514 1HD1 LEU 27 1HD1 LEU 27 -5.575 7.856 1.328
515 2HD1 LEU 27 2HD1 LEU 27 -6.425 7.297 -0.234
516 3HD1 LEU 27 3HD1 LEU 27 -7.143 7.239 1.429
517 1HD2 LEU 27 1HD2 LEU 27 -8.671 8.576 1.850
518 2HD2 LEU 27 2HD2 LEU 27 -8.770 10.253 1.231
519 3HD2 LEU 27 3HD2 LEU 27 -7.699 9.919 2.453
520 H THR 28 H THR 28 -7.114 12.521 2.009
521 HA THR 28 HA THR 28 -4.741 14.032 2.482
522 HB THR 28 HB THR 28 -5.991 15.877 3.479
523 HG1 THR 28 HG1 THR 28 -8.174 16.037 2.217
524 1HG2 THR 28 1HG2 THR 28 -6.232 17.285 1.585
525 2HG2 THR 28 2HG2 THR 28 -6.277 15.904 0.522
526 3HG2 THR 28 3HG2 THR 28 -4.809 16.072 1.468
527 H ALA 29 H ALA 29 -4.589 14.333 4.920
528 HA ALA 29 HA ALA 29 -5.388 12.238 6.355
529 1HB ALA 29 1HB ALA 29 -4.421 14.954 7.004
530 2HB ALA 29 2HB ALA 29 -4.883 13.776 8.364
531 3HB ALA 29 3HB ALA 29 -3.799 13.345 7.250
532 HA PRO 30 HA PRO 30 -9.446 14.225 7.924
533 1HB PRO 30 1HB PRO 30 -10.870 15.909 6.264
534 2HB PRO 30 2HB PRO 30 -9.828 16.323 7.661
535 1HG PRO 30 1HG PRO 30 -9.216 16.275 4.713
536 2HG PRO 30 2HG PRO 30 -8.840 17.554 5.933
537 1HD PRO 30 1HD PRO 30 -6.895 15.762 5.158
538 2HD PRO 30 2HD PRO 30 -6.978 16.343 6.820
539 H ARG 31 H ARG 31 -9.332 13.855 4.244
540 HA ARG 31 HA ARG 31 -11.607 12.371 3.990
541 1HB ARG 31 1HB ARG 31 -9.034 12.380 2.342
542 2HB ARG 31 2HB ARG 31 -10.337 11.233 1.974
543 1HG ARG 31 1HG ARG 31 -10.098 13.217 0.562
544 2HG ARG 31 2HG ARG 31 -11.738 12.852 1.244
545 1HD ARG 31 1HD ARG 31 -11.492 14.790 2.920
546 2HD ARG 31 2HD ARG 31 -10.068 15.253 1.958
547 HE ARG 31 HE ARG 31 -11.452 15.797 0.159
548 1HH1 ARG 31 2HH1 ARG 31 -13.323 14.440 2.643
549 2HH1 ARG 31 1HH1 ARG 31 -14.848 14.795 1.763
550 1HH2 ARG 31 2HH2 ARG 31 -13.348 16.771 -0.647
551 2HH2 ARG 31 1HH2 ARG 31 -14.856 16.223 0.133
552 H LEU 32 H LEU 32 -8.224 11.156 4.331
553 HA LEU 32 HA LEU 32 -8.636 8.430 4.428
554 1HB LEU 32 1HB LEU 32 -6.584 10.028 4.120
555 2HB LEU 32 2HB LEU 32 -6.585 10.252 5.823
556 HG LEU 32 HG LEU 32 -6.482 7.538 5.854
557 1HD1 LEU 32 1HD1 LEU 32 -4.830 6.903 4.004
558 2HD1 LEU 32 2HD1 LEU 32 -5.086 8.486 3.265
559 3HD1 LEU 32 3HD1 LEU 32 -6.439 7.368 3.367
560 1HD2 LEU 32 1HD2 LEU 32 -4.039 7.575 6.015
561 2HD2 LEU 32 2HD2 LEU 32 -4.885 8.817 6.908
562 3HD2 LEU 32 3HD2 LEU 32 -4.073 9.335 5.452
563 H ALA 33 H ALA 33 -8.931 10.711 7.208
564 HA ALA 33 HA ALA 33 -9.046 8.740 9.368
565 1HB ALA 33 1HB ALA 33 -9.599 11.683 9.236
566 2HB ALA 33 2HB ALA 33 -9.984 10.797 10.663
567 3HB ALA 33 3HB ALA 33 -8.303 10.938 10.039
568 H ASP 34 H ASP 34 -11.328 10.799 7.691
569 HA ASP 34 HA ASP 34 -13.771 10.030 8.880
570 1HB ASP 34 1HB ASP 34 -13.534 12.020 7.214
571 2HB ASP 34 2HB ASP 34 -13.211 10.686 6.027
572 H LEU 35 H LEU 35 -12.409 8.648 5.737
573 HA LEU 35 HA LEU 35 -14.383 6.611 5.799
574 1HB LEU 35 1HB LEU 35 -12.068 7.456 4.152
575 2HB LEU 35 2HB LEU 35 -12.299 5.726 4.124
576 HG LEU 35 HG LEU 35 -13.727 5.551 2.666
577 1HD1 LEU 35 1HD1 LEU 35 -15.313 7.967 3.596
578 2HD1 LEU 35 2HD1 LEU 35 -15.578 6.341 4.212
579 3HD1 LEU 35 3HD1 LEU 35 -15.744 6.628 2.475
580 1HD2 LEU 35 1HD2 LEU 35 -11.992 7.175 1.817
581 2HD2 LEU 35 2HD2 LEU 35 -13.265 8.476 2.077
582 3HD2 LEU 35 3HD2 LEU 35 -13.476 7.030 1.008
583 H SER 36 H SER 36 -11.000 6.662 7.027
584 HA SER 36 HA SER 36 -10.944 3.805 7.695
585 1HB SER 36 1HB SER 36 -9.539 4.272 9.466
586 2HB SER 36 2HB SER 36 -9.079 5.204 7.962
587 HG SER 36 HG SER 36 -10.401 6.908 9.330
588 H ALA 37 H ALA 37 -12.744 6.272 9.475
589 HA ALA 37 HA ALA 37 -13.715 4.425 11.585
590 1HB ALA 37 1HB ALA 37 -13.521 6.776 12.030
591 2HB ALA 37 2HB ALA 37 -14.491 7.116 10.510
592 3HB ALA 37 3HB ALA 37 -15.291 6.384 11.907
593 H LYS 38 H LYS 38 -15.262 5.768 8.605
594 HA LYS 38 HA LYS 38 -17.796 4.576 8.937
595 1HB LYS 38 1HB LYS 38 -16.612 6.588 7.331
596 2HB LYS 38 2HB LYS 38 -17.204 5.351 6.175
597 1HG LYS 38 1HG LYS 38 -19.337 5.475 7.194
598 2HG LYS 38 2HG LYS 38 -18.814 6.870 8.269
599 1HD LYS 38 1HD LYS 38 -19.228 6.878 5.344
600 2HD LYS 38 2HD LYS 38 -20.150 7.761 6.422
601 1HE LYS 38 1HE LYS 38 -17.158 8.294 6.434
602 2HE LYS 38 2HE LYS 38 -17.969 8.648 4.997
603 1HZ LYS 38 1HZ LYS 38 -18.696 9.773 7.711
604 2HZ LYS 38 2HZ LYS 38 -19.531 10.165 6.405
605 3HZ LYS 38 3HZ LYS 38 -17.983 10.611 6.534
606 H LEU 39 H LEU 39 -15.072 3.782 6.776
607 HA LEU 39 HA LEU 39 -16.273 1.254 5.768
608 1HB LEU 39 1HB LEU 39 -13.502 2.371 5.783
609 2HB LEU 39 2HB LEU 39 -13.857 0.848 4.989
610 HG LEU 39 HG LEU 39 -14.743 2.117 3.001
611 1HD1 LEU 39 1HD1 LEU 39 -15.368 4.347 3.241
612 2HD1 LEU 39 2HD1 LEU 39 -14.923 4.461 4.941
613 3HD1 LEU 39 3HD1 LEU 39 -16.267 3.360 4.537
614 1HD2 LEU 39 1HD2 LEU 39 -12.851 3.927 4.593
615 2HD2 LEU 39 2HD2 LEU 39 -13.083 3.669 2.802
616 3HD2 LEU 39 3HD2 LEU 39 -12.360 2.399 3.779
617 H ALA 40 H ALA 40 -14.278 1.978 8.557
618 HA ALA 40 HA ALA 40 -13.799 1.154 10.284
619 1HB ALA 40 1HB ALA 40 -15.107 -1.491 10.019
620 2HB ALA 40 2HB ALA 40 -14.869 -0.535 11.435
621 3HB ALA 40 3HB ALA 40 -16.146 -0.016 10.270
622 H LEU 41 H LEU 41 -11.789 1.250 8.870
623 HA LEU 41 HA LEU 41 -10.164 -0.907 9.478
624 1HB LEU 41 1HB LEU 41 -9.218 -1.081 6.942
625 2HB LEU 41 2HB LEU 41 -10.709 -1.778 7.318
626 HG LEU 41 HG LEU 41 -11.849 0.278 6.214
627 1HD1 LEU 41 1HD1 LEU 41 -9.125 1.269 5.961
628 2HD1 LEU 41 2HD1 LEU 41 -10.573 2.067 6.611
629 3HD1 LEU 41 3HD1 LEU 41 -10.387 1.849 4.859
630 1HD2 LEU 41 1HD2 LEU 41 -11.008 -1.788 4.974
631 2HD2 LEU 41 2HD2 LEU 41 -9.462 -0.892 4.603
632 3HD2 LEU 41 3HD2 LEU 41 -10.987 -0.248 3.970
633 H GLY 42 H GLY 42 -7.933 -0.460 8.715
634 1HA GLY 42 1HA GLY 42 -7.032 1.802 10.013
635 2HA GLY 42 2HA GLY 42 -6.076 0.670 8.941
636 H THR 43 H THR 43 -5.994 3.622 9.367
637 HA THR 43 HA THR 43 -6.937 5.222 7.130
638 HB THR 43 HB THR 43 -5.162 6.627 7.709
639 HG1 THR 43 HG1 THR 43 -4.796 4.964 9.988
640 1HG2 THR 43 1HG2 THR 43 -7.228 7.134 8.881
641 2HG2 THR 43 2HG2 THR 43 -5.980 7.175 10.111
642 3HG2 THR 43 3HG2 THR 43 -6.760 5.625 9.990
643 H ALA 44 H ALA 44 -3.943 3.230 7.698
644 HA ALA 44 HA ALA 44 -2.517 3.936 5.366
645 1HB ALA 44 1HB ALA 44 -1.650 2.552 7.198
646 2HB ALA 44 2HB ALA 44 -2.725 1.221 6.772
647 3HB ALA 44 3HB ALA 44 -1.499 1.747 5.654
648 H GLN 45 H GLN 45 -5.192 1.692 5.684
649 HA GLN 45 HA GLN 45 -4.942 0.361 3.083
650 1HB GLN 45 1HB GLN 45 -7.157 0.785 5.146
651 2HB GLN 45 2HB GLN 45 -7.493 -0.012 3.591
652 1HG GLN 45 1HG GLN 45 -7.161 -1.394 5.630
653 2HG GLN 45 2HG GLN 45 -6.327 -1.927 4.156
654 1HE2 GLN 45 1HE2 GLN 45 -5.932 0.162 7.230
655 2HE2 GLN 45 2HE2 GLN 45 -4.523 -0.647 7.741
656 H VAL 46 H VAL 46 -6.648 3.366 4.125
657 HA VAL 46 HA VAL 46 -8.260 3.503 1.770
658 HB VAL 46 HB VAL 46 -7.649 5.842 3.632
659 1HG1 VAL 46 1HG1 VAL 46 -9.717 6.702 3.122
660 2HG1 VAL 46 2HG1 VAL 46 -9.022 6.132 1.535
661 3HG1 VAL 46 3HG1 VAL 46 -10.294 5.188 2.206
662 1HG2 VAL 46 1HG2 VAL 46 -9.745 5.320 4.760
663 2HG2 VAL 46 2HG2 VAL 46 -9.742 3.676 4.256
664 3HG2 VAL 46 3HG2 VAL 46 -8.392 4.359 5.270
665 H LYS 47 H LYS 47 -5.248 5.287 2.688
666 HA LYS 47 HA LYS 47 -4.550 6.303 0.266
667 1HB LYS 47 1HB LYS 47 -3.420 5.552 2.806
668 2HB LYS 47 2HB LYS 47 -2.244 5.016 1.548
669 1HG LYS 47 1HG LYS 47 -1.642 7.097 1.164
670 2HG LYS 47 2HG LYS 47 -3.275 7.685 1.355
671 1HD LYS 47 1HD LYS 47 -1.117 8.374 2.878
672 2HD LYS 47 2HD LYS 47 -2.852 8.382 3.497
673 1HE LYS 47 1HE LYS 47 -2.505 6.469 4.790
674 2HE LYS 47 2HE LYS 47 -0.975 6.038 3.936
675 1HZ LYS 47 1HZ LYS 47 -0.817 7.138 6.187
676 2HZ LYS 47 2HZ LYS 47 -1.567 8.426 5.551
677 3HZ LYS 47 3HZ LYS 47 -0.005 8.033 5.179
678 H ILE 48 H ILE 48 -4.042 2.652 1.147
679 HA ILE 48 HA ILE 48 -2.443 2.201 -1.204
680 HB ILE 48 HB ILE 48 -3.865 0.609 0.887
681 1HG1 ILE 48 1HG1 ILE 48 -1.074 0.605 -0.284
682 2HG1 ILE 48 2HG1 ILE 48 -1.594 1.561 1.124
683 1HG2 ILE 48 1HG2 ILE 48 -3.046 -1.608 -0.350
684 2HG2 ILE 48 2HG2 ILE 48 -4.281 -0.917 -1.184
685 3HG2 ILE 48 3HG2 ILE 48 -2.597 -0.655 -1.694
686 1HD1 ILE 48 1HD1 ILE 48 -1.927 -0.704 2.366
687 2HD1 ILE 48 2HD1 ILE 48 -1.288 -1.465 0.924
688 3HD1 ILE 48 3HD1 ILE 48 -0.284 -0.405 1.792
689 H TRP 49 H TRP 49 -5.854 2.253 -0.352
690 HA TRP 49 HA TRP 49 -6.875 0.868 -2.851
691 1HB TRP 49 1HB TRP 49 -8.260 1.008 -0.702
692 2HB TRP 49 2HB TRP 49 -8.287 2.755 -0.832
693 HD1 TRP 49 HD1 TRP 49 -8.995 -0.222 -3.123
694 HE1 TRP 49 HE1 TRP 49 -11.366 0.034 -4.391
695 HE3 TRP 49 HE3 TRP 49 -9.741 4.659 -2.176
696 HZ2 TRP 49 HZ2 TRP 49 -12.917 2.218 -5.099
697 HZ3 TRP 49 HZ3 TRP 49 -11.295 5.885 -3.547
698 HH2 TRP 49 HH2 TRP 49 -13.113 4.684 -4.826
699 H PHE 50 H PHE 50 -7.047 4.180 -1.799
700 HA PHE 50 HA PHE 50 -7.822 5.244 -4.264
701 1HB PHE 50 1HB PHE 50 -6.099 6.212 -2.015
702 2HB PHE 50 2HB PHE 50 -6.207 7.236 -3.428
703 HD1 PHE 50 HD1 PHE 50 -8.056 8.569 -4.151
704 HD2 PHE 50 HD2 PHE 50 -8.611 5.831 -0.826
705 HE1 PHE 50 HE1 PHE 50 -10.105 9.739 -3.334
706 HE2 PHE 50 HE2 PHE 50 -10.618 7.009 -0.155
707 HZ PHE 50 HZ PHE 50 -11.369 9.076 -1.494
708 H LYS 51 H LYS 51 -4.455 4.855 -3.166
709 HA LYS 51 HA LYS 51 -3.175 5.882 -5.401
710 1HB LYS 51 1HB LYS 51 -2.391 5.280 -3.087
711 2HB LYS 51 2HB LYS 51 -2.223 3.650 -3.546
712 1HG LYS 51 1HG LYS 51 -0.830 5.426 -5.436
713 2HG LYS 51 2HG LYS 51 -0.411 5.806 -3.789
714 1HD LYS 51 1HD LYS 51 -0.372 2.973 -5.087
715 2HD LYS 51 2HD LYS 51 1.098 3.963 -5.027
716 1HE LYS 51 1HE LYS 51 -0.214 3.187 -2.501
717 2HE LYS 51 2HE LYS 51 0.905 2.116 -3.360
718 1HZ LYS 51 1HZ LYS 51 1.973 3.753 -1.697
719 2HZ LYS 51 2HZ LYS 51 1.665 4.902 -2.786
720 3HZ LYS 51 3HZ LYS 51 2.665 3.712 -3.169
721 H ASN 52 H ASN 52 -3.592 2.356 -4.855
722 HA ASN 52 HA ASN 52 -2.757 1.772 -7.516
723 1HB ASN 52 1HB ASN 52 -3.309 -0.511 -7.244
724 2HB ASN 52 2HB ASN 52 -3.045 0.077 -5.629
725 1HD2 ASN 52 1HD2 ASN 52 -5.150 0.665 -4.435
726 2HD2 ASN 52 2HD2 ASN 52 -6.093 -0.783 -4.452
727 H ARG 53 H ARG 53 -5.935 2.786 -6.410
728 HA ARG 53 HA ARG 53 -7.383 2.202 -8.779
729 1HB ARG 53 1HB ARG 53 -8.547 2.858 -6.518
730 2HB ARG 53 2HB ARG 53 -7.904 4.446 -6.742
731 1HG ARG 53 1HG ARG 53 -9.169 4.613 -8.893
732 2HG ARG 53 2HG ARG 53 -9.849 2.993 -8.619
733 1HD ARG 53 1HD ARG 53 -10.834 3.842 -6.439
734 2HD ARG 53 2HD ARG 53 -10.192 5.476 -6.869
735 HE ARG 53 HE ARG 53 -11.953 5.785 -8.226
736 1HH1 ARG 53 2HH1 ARG 53 -11.930 2.364 -7.264
737 2HH1 ARG 53 1HH1 ARG 53 -13.655 2.381 -7.648
738 1HH2 ARG 53 2HH2 ARG 53 -13.998 5.138 -9.224
739 2HH2 ARG 53 1HH2 ARG 53 -14.710 3.716 -8.483
740 H ARG 54 H ARG 54 -5.553 5.148 -7.775
741 HA ARG 54 HA ARG 54 -6.509 7.038 -9.774
742 1HB ARG 54 1HB ARG 54 -3.883 7.190 -8.278
743 2HB ARG 54 2HB ARG 54 -4.650 8.497 -9.155
744 1HG ARG 54 1HG ARG 54 -5.058 7.412 -6.459
745 2HG ARG 54 2HG ARG 54 -5.274 9.054 -6.952
746 1HD ARG 54 1HD ARG 54 -7.304 7.021 -7.543
747 2HD ARG 54 2HD ARG 54 -7.384 8.185 -6.212
748 HE ARG 54 HE ARG 54 -7.168 10.043 -8.008
749 1HH1 ARG 54 2HH1 ARG 54 -8.710 6.927 -8.964
750 2HH1 ARG 54 1HH1 ARG 54 -9.468 7.740 -10.334
751 1HH2 ARG 54 2HH2 ARG 54 -8.256 10.854 -9.710
752 2HH2 ARG 54 1HH2 ARG 54 -9.444 9.862 -10.402
753 H ARG 55 H ARG 55 -3.469 5.191 -9.496
754 HA ARG 55 HA ARG 55 -2.567 5.781 -12.062
755 1HB ARG 55 1HB ARG 55 -1.086 4.925 -10.118
756 2HB ARG 55 2HB ARG 55 -1.788 3.407 -10.338
757 1HG ARG 55 1HG ARG 55 0.425 3.359 -11.517
758 2HG ARG 55 2HG ARG 55 -0.920 3.038 -12.649
759 1HD ARG 55 1HD ARG 55 -0.767 5.683 -13.063
760 2HD ARG 55 2HD ARG 55 0.791 5.571 -12.284
761 HE ARG 55 HE ARG 55 0.019 5.109 -14.998
762 1HH1 ARG 55 2HH1 ARG 55 2.402 3.673 -12.757
763 2HH1 ARG 55 1HH1 ARG 55 3.030 2.741 -14.051
764 1HH2 ARG 55 2HH2 ARG 55 1.017 4.054 -16.429
765 2HH2 ARG 55 1HH2 ARG 55 2.295 2.927 -16.121
766 H ARG 56 H ARG 56 -4.131 2.827 -11.040
767 HA ARG 56 HA ARG 56 -4.380 1.634 -13.593
768 1HB ARG 56 1HB ARG 56 -5.071 0.582 -11.362
769 2HB ARG 56 2HB ARG 56 -6.424 1.553 -11.466
770 1HG ARG 56 1HG ARG 56 -7.364 0.508 -13.504
771 2HG ARG 56 2HG ARG 56 -5.753 -0.293 -13.748
772 1HD ARG 56 1HD ARG 56 -7.370 -2.033 -13.048
773 2HD ARG 56 2HD ARG 56 -5.998 -1.796 -12.003
774 HE ARG 56 HE ARG 56 -8.904 -1.089 -11.670
775 1HH1 ARG 56 2HH1 ARG 56 -5.787 -0.754 -10.061
776 2HH1 ARG 56 1HH1 ARG 56 -6.379 -0.936 -8.480
777 1HH2 ARG 56 2HH2 ARG 56 -9.710 -1.460 -9.593
778 2HH2 ARG 56 1HH2 ARG 56 -8.543 -1.272 -8.286
779 H HIS 57 H HIS 57 -6.389 4.162 -12.202
780 HA HIS 57 HA HIS 57 -8.500 4.010 -14.092
781 1HB HIS 57 1HB HIS 57 -7.699 6.112 -11.974
782 2HB HIS 57 2HB HIS 57 -8.798 6.417 -13.194
783 HD1 HIS 57 HD1 HIS 57 -11.251 6.392 -11.895
784 HD2 HIS 57 HD2 HIS 57 -8.876 2.875 -11.811
785 HE1 HIS 57 HE1 HIS 57 -12.738 4.677 -11.373
786 H LYS 58 H LYS 58 -5.674 6.236 -13.893
787 HA LYS 58 HA LYS 58 -6.138 7.454 -16.304
788 1HB LYS 58 1HB LYS 58 -3.918 8.162 -16.472
789 2HB LYS 58 2HB LYS 58 -4.672 8.492 -14.959
790 1HG LYS 58 1HG LYS 58 -3.466 6.783 -13.843
791 2HG LYS 58 2HG LYS 58 -2.777 6.084 -15.247
792 1HD LYS 58 1HD LYS 58 -0.979 7.351 -14.913
793 2HD LYS 58 2HD LYS 58 -1.997 8.881 -15.212
794 1HE LYS 58 1HE LYS 58 -2.472 9.027 -12.928
795 2HE LYS 58 2HE LYS 58 -1.881 7.424 -12.469
796 1HZ LYS 58 1HZ LYS 58 0.344 8.340 -13.017
797 2HZ LYS 58 2HZ LYS 58 -0.383 9.368 -11.987
798 3HZ LYS 58 3HZ LYS 58 -0.280 9.720 -13.494
799 H ILE 59 H ILE 59 -4.293 4.521 -15.760
800 HA ILE 59 HA ILE 59 -3.133 3.770 -18.321
801 HB ILE 59 HB ILE 59 -3.964 2.354 -15.794
802 1HG1 ILE 59 1HG1 ILE 59 -1.048 2.743 -16.834
803 2HG1 ILE 59 2HG1 ILE 59 -1.879 3.893 -15.778
804 1HG2 ILE 59 1HG2 ILE 59 -2.694 1.315 -18.391
805 2HG2 ILE 59 2HG2 ILE 59 -2.841 0.340 -16.870
806 3HG2 ILE 59 3HG2 ILE 59 -4.226 0.779 -17.736
807 1HD1 ILE 59 1HD1 ILE 59 -2.310 1.857 -14.283
808 2HD1 ILE 59 2HD1 ILE 59 -1.451 0.860 -15.360
809 3HD1 ILE 59 3HD1 ILE 59 -0.570 2.184 -14.566
810 H GLN 60 H GLN 60 -6.213 2.586 -16.693
811 HA GLN 60 HA GLN 60 -7.246 1.422 -19.141
812 1HB GLN 60 1HB GLN 60 -8.494 2.561 -16.681
813 2HB GLN 60 2HB GLN 60 -9.451 1.793 -18.029
814 1HG GLN 60 1HG GLN 60 -8.119 -0.359 -17.656
815 2HG GLN 60 2HG GLN 60 -7.076 0.584 -16.608
816 1HE2 GLN 60 1HE2 GLN 60 -7.789 -1.784 -15.713
817 2HE2 GLN 60 2HE2 GLN 60 -9.227 -1.724 -14.697
818 H SER 61 H SER 61 -7.173 4.841 -18.261
819 HA SER 61 HA SER 61 -9.382 5.610 -20.091
820 1HB SER 61 1HB SER 61 -7.481 7.560 -18.750
821 2HB SER 61 2HB SER 61 -9.020 7.858 -19.640
822 HG SER 61 HG SER 61 -8.580 6.236 -17.409
823 H ASP 62 H ASP 62 -5.758 5.444 -20.152
824 HA ASP 62 HA ASP 62 -5.455 6.583 -22.733
825 1HB ASP 62 1HB ASP 62 -3.898 6.584 -21.058
826 2HB ASP 62 2HB ASP 62 -3.669 4.844 -20.882
827 H GLN 63 H GLN 63 -6.407 3.389 -21.663
828 HA GLN 63 HA GLN 63 -5.705 1.980 -24.241
829 1HB GLN 63 1HB GLN 63 -6.885 1.270 -21.626
830 2HB GLN 63 2HB GLN 63 -6.752 0.085 -22.905
831 1HG GLN 63 1HG GLN 63 -4.189 0.569 -22.887
832 2HG GLN 63 2HG GLN 63 -4.376 1.303 -21.393
833 1HE2 GLN 63 2HE2 GLN 63 -3.499 -1.574 -22.732
834 2HE2 GLN 63 1HE2 GLN 63 -4.084 -2.649 -21.535
835 H HIS 64 H HIS 64 -8.566 3.134 -22.494
836 HA HIS 64 HA HIS 64 -10.553 2.286 -24.592
837 1HB HIS 64 1HB HIS 64 -10.929 2.751 -21.554
838 2HB HIS 64 2HB HIS 64 -11.890 1.956 -22.723
839 HD1 HIS 64 HD1 HIS 64 -9.324 1.132 -20.159
840 HD2 HIS 64 HD2 HIS 64 -11.039 -0.559 -23.649
841 HE1 HIS 64 HE1 HIS 64 -8.742 -1.378 -20.165
842 H LYS 65 H LYS 65 -9.243 5.165 -23.225
843 HA LYS 65 HA LYS 65 -11.565 6.597 -24.474
844 1HB LYS 65 1HB LYS 65 -11.731 6.248 -21.855
845 2HB LYS 65 2HB LYS 65 -10.777 7.670 -21.880
846 1HG LYS 65 1HG LYS 65 -12.329 9.055 -23.070
847 2HG LYS 65 2HG LYS 65 -13.237 7.651 -23.668
848 1HD LYS 65 1HD LYS 65 -13.046 8.391 -20.637
849 2HD LYS 65 2HD LYS 65 -14.109 9.194 -21.766
850 1HE LYS 65 1HE LYS 65 -14.957 6.983 -22.452
851 2HE LYS 65 2HE LYS 65 -14.054 6.104 -21.228
852 1HZ LYS 65 1HZ LYS 65 -15.146 7.433 -19.520
853 2HZ LYS 65 2HZ LYS 65 -16.199 6.567 -20.340
854 3HZ LYS 65 3HZ LYS 65 -16.125 8.184 -20.640
855 H ASP 66 H ASP 66 -8.147 7.007 -23.866
856 HA ASP 66 HA ASP 66 -7.937 9.742 -24.795
857 1HB ASP 66 1HB ASP 66 -6.018 8.456 -23.900
858 2HB ASP 66 2HB ASP 66 -5.951 7.450 -25.310
859 H GLN 67 H GLN 67 -8.615 6.900 -26.694
860 HA GLN 67 HA GLN 67 -9.506 8.554 -28.903
861 1HB GLN 67 1HB GLN 67 -7.283 8.079 -29.379
862 2HB GLN 67 2HB GLN 67 -7.361 6.350 -28.837
863 1HG GLN 67 1HG GLN 67 -7.189 6.591 -31.289
864 2HG GLN 67 2HG GLN 67 -8.859 6.003 -30.882
865 1HE2 GLN 67 1HE2 GLN 67 -10.296 7.167 -32.439
866 2HE2 GLN 67 2HE2 GLN 67 -10.100 8.899 -32.581
867 H SER 68 H SER 68 -10.859 7.297 -30.431
868 HA SER 68 HA SER 68 -12.256 4.850 -29.395
869 1HB SER 68 1HB SER 68 -13.354 7.584 -29.296
870 2HB SER 68 2HB SER 68 -14.508 6.334 -29.657
871 HG SER 68 HG SER 68 -12.621 6.122 -27.555
Start of MODEL 5
1 1H5* G 69 1H5* G 69 7.010 -24.592 -11.009
2 2H5* G 69 2H5* G 69 8.516 -23.763 -11.348
3 H4* G 69 H4* G 69 6.916 -23.147 -13.084
4 H3* G 69 H3* G 69 8.377 -21.299 -11.923
5 H1* G 69 H1* G 69 4.605 -20.791 -12.608
6 H8 G 69 H8 G 69 5.609 -20.850 -8.916
7 H1 G 69 H1 G 69 -0.709 -20.213 -10.331
8 1H2 G 69 1H2 G 69 0.221 -20.483 -13.536
9 2H2 G 69 2H2 G 69 -0.945 -20.113 -12.367
10 H5T G 69 H5T G 69 7.852 -22.163 -9.813
11 1H2* G 69 1H2* G 69 6.905 -20.316 -10.566
12 2H2* G 69 2H2* G 69 6.582 -19.382 -11.926
13 1H5* C 70 1H5* C 70 5.331 -20.575 -15.723
14 2H5* C 70 2H5* C 70 6.394 -19.627 -16.772
15 H4* C 70 H4* C 70 4.053 -19.132 -17.211
16 H3* C 70 H3* C 70 5.799 -17.014 -16.637
17 H1* C 70 H1* C 70 2.122 -17.268 -15.329
18 1H4 C 70 1H4 C 70 3.000 -17.162 -8.892
19 2H4 C 70 2H4 C 70 1.325 -16.636 -9.266
20 H5 C 70 H5 C 70 4.697 -17.936 -10.580
21 H6 C 70 H6 C 70 4.816 -18.216 -13.048
22 1H2* C 70 1H2* C 70 4.874 -16.426 -14.557
23 2H2* C 70 2H2* C 70 3.752 -15.644 -15.698
24 1H5* T 71 1H5* T 71 1.676 -16.088 -18.320
25 2H5* T 71 2H5* T 71 1.443 -14.584 -19.271
26 H4* T 71 H4* T 71 -0.222 -14.939 -17.190
27 H3* T 71 H3* T 71 1.123 -12.600 -18.050
28 1H2* T 71 1H2* T 71 1.640 -12.171 -15.751
29 2H2* T 71 2H2* T 71 -0.073 -11.953 -15.449
30 H1* T 71 H1* T 71 -0.508 -14.367 -14.931
31 H3 T 71 H3 T 71 0.328 -14.142 -10.522
32 1H5M T 71 1H5M T 71 4.904 -13.417 -11.548
33 2H5M T 71 2H5M T 71 4.807 -15.074 -11.900
34 3H5M T 71 3H5M T 71 5.055 -13.858 -13.218
35 H6 T 71 H6 T 71 3.030 -13.887 -14.533
36 1H5* C 72 1H5* C 72 -2.623 -12.047 -16.001
37 2H5* C 72 2H5* C 72 -3.571 -10.773 -16.790
38 H4* C 72 H4* C 72 -3.767 -10.519 -14.496
39 H3* C 72 H3* C 72 -2.063 -8.373 -15.838
40 H1* C 72 H1* C 72 -2.306 -9.923 -12.222
41 1H4 C 72 1H4 C 72 3.928 -11.313 -11.251
42 2H4 C 72 2H4 C 72 3.078 -11.398 -9.730
43 H5 C 72 H5 C 72 3.021 -10.306 -13.212
44 H6 C 72 H6 C 72 0.844 -9.714 -14.279
45 1H2* C 72 1H2* C 72 -0.715 -8.078 -14.013
46 2H2* C 72 2H2* C 72 -2.095 -7.677 -12.978
47 1H5* T 73 1H5* T 73 -5.001 -7.841 -12.297
48 2H5* T 73 2H5* T 73 -6.006 -6.477 -12.712
49 H4* T 73 H4* T 73 -5.805 -6.622 -10.459
50 H3* T 73 H3* T 73 -4.859 -4.264 -11.932
51 1H2* T 73 1H2* T 73 -2.707 -4.558 -11.416
52 2H2* T 73 2H2* T 73 -3.042 -3.689 -9.858
53 H1* T 73 H1* T 73 -3.320 -5.502 -8.607
54 H3 T 73 H3 T 73 0.651 -7.562 -7.742
55 1H5M T 73 1H5M T 73 0.939 -5.875 -13.029
56 2H5M T 73 2H5M T 73 2.119 -5.606 -11.901
57 3H5M T 73 3H5M T 73 1.844 -7.329 -12.327
58 H6 T 73 H6 T 73 -1.253 -5.635 -11.812
59 1H5* A 74 1H5* A 74 -5.376 -5.352 -7.651
60 2H5* A 74 2H5* A 74 -6.385 -4.247 -6.828
61 H4* A 74 H4* A 74 -4.977 -5.458 -5.448
62 H3* A 74 H3* A 74 -5.175 -2.751 -5.067
63 H1* A 74 H1* A 74 -1.973 -4.746 -4.524
64 H8 A 74 H8 A 74 -2.385 -2.754 -7.825
65 1H6 A 74 1H6 A 74 3.444 -4.578 -9.062
66 2H6 A 74 2H6 A 74 2.240 -3.574 -9.783
67 H2 A 74 H2 A 74 2.514 -6.046 -5.280
68 1H2* A 74 1H2* A 74 -3.257 -2.272 -5.833
69 2H2* A 74 2H2* A 74 -2.805 -2.385 -4.097
70 1H5* A 75 1H5* A 75 -2.710 -5.033 -2.541
71 2H5* A 75 2H5* A 75 -2.992 -5.087 -0.836
72 H4* A 75 H4* A 75 -0.627 -5.240 -1.224
73 H3* A 75 H3* A 75 -1.473 -2.931 0.257
74 H1* A 75 H1* A 75 1.566 -3.586 -1.998
75 H8 A 75 H8 A 75 -0.768 -1.118 -3.931
76 1H6 A 75 1H6 A 75 3.955 -1.127 -8.064
77 2H6 A 75 2H6 A 75 2.299 -0.556 -7.797
78 H2 A 75 H2 A 75 5.061 -3.674 -4.756
79 1H2* A 75 1H2* A 75 -0.670 -1.539 -1.557
80 2H2* A 75 2H2* A 75 0.866 -1.822 -0.696
81 1H5* T 76 1H5* T 76 2.866 -5.362 0.573
82 2H5* T 76 2H5* T 76 3.426 -5.185 2.208
83 H4* T 76 H4* T 76 5.375 -5.247 0.692
84 H3* T 76 H3* T 76 4.883 -3.284 2.723
85 1H2* T 76 1H2* T 76 4.428 -1.569 1.233
86 2H2* T 76 2H2* T 76 6.114 -1.350 1.323
87 H1* T 76 H1* T 76 6.421 -2.696 -0.563
88 H3 T 76 H3 T 76 5.592 0.101 -4.113
89 1H5M T 76 1H5M T 76 2.021 1.752 -1.813
90 2H5M T 76 2H5M T 76 1.017 0.611 -2.792
91 3H5M T 76 3H5M T 76 1.090 0.456 -1.057
92 H6 T 76 H6 T 76 2.904 -0.922 -0.268
93 1H5* C 77 1H5* C 77 9.782 -3.397 1.628
94 2H5* C 77 2H5* C 77 10.591 -2.900 3.114
95 H4* C 77 H4* C 77 11.572 -1.784 1.142
96 H3* C 77 H3* C 77 11.034 -0.388 3.528
97 H1* C 77 H1* C 77 10.601 0.887 0.028
98 1H4 C 77 1H4 C 77 4.310 2.803 -0.857
99 2H4 C 77 2H4 C 77 5.063 2.816 -2.478
100 H5 C 77 H5 C 77 5.301 1.382 0.885
101 H6 C 77 H6 C 77 7.384 0.660 1.860
102 1H2* C 77 1H2* C 77 9.183 0.428 2.731
103 2H2* C 77 2H2* C 77 10.279 1.802 2.325
104 1H5* C 78 1H5* C 78 12.652 1.581 -0.432
105 2H5* C 78 2H5* C 78 14.260 1.978 0.356
106 H4* C 78 H4* C 78 14.057 3.261 -1.330
107 H3* C 78 H3* C 78 14.455 4.557 1.081
108 H1* C 78 H1* C 78 11.923 6.059 -1.596
109 1H4 C 78 1H4 C 78 6.213 4.295 1.058
110 2H4 C 78 2H4 C 78 5.941 5.464 -0.223
111 H5 C 78 H5 C 78 8.427 3.671 1.685
112 H6 C 78 H6 C 78 10.802 3.782 1.099
113 1H2* C 78 1H2* C 78 12.288 5.590 1.390
114 2H2* C 78 2H2* C 78 12.840 6.736 0.263
115 1H5* C 79 1H5* C 79 14.247 7.129 -2.697
116 2H5* C 79 2H5* C 79 15.363 8.517 -2.793
117 H4* C 79 H4* C 79 13.497 9.507 -3.649
118 H3* C 79 H3* C 79 14.605 10.358 -1.283
119 H1* C 79 H1* C 79 11.100 10.243 -2.232
120 1H4 C 79 1H4 C 79 6.851 7.522 1.815
121 2H4 C 79 2H4 C 79 6.074 8.553 0.601
122 H5 C 79 H5 C 79 9.481 7.488 1.924
123 H6 C 79 H6 C 79 11.338 8.151 0.731
124 1H2* C 79 1H2* C 79 12.848 9.695 0.222
125 2H2* C 79 2H2* C 79 12.073 11.261 -0.465
126 1H5* C 80 1H5* C 80 11.850 11.583 -4.307
127 2H5* C 80 2H5* C 80 12.649 11.734 -5.886
128 H4* C 80 H4* C 80 10.904 13.010 -6.580
129 H3* C 80 H3* C 80 12.604 14.904 -5.856
130 H1* C 80 H1* C 80 9.008 14.831 -4.157
131 1H4 C 80 1H4 C 80 9.599 12.183 1.774
132 2H4 C 80 2H4 C 80 7.909 12.345 1.510
133 H5 C 80 H5 C 80 11.309 13.363 0.359
134 H6 C 80 H6 C 80 11.719 13.799 -1.892
135 1H2* C 80 1H2* C 80 11.939 14.889 -3.465
136 2H2* C 80 2H2* C 80 10.945 16.153 -4.259
137 1H5* G 81 1H5* G 81 8.001 16.183 -6.244
138 2H5* G 81 2H5* G 81 8.009 17.624 -7.378
139 H4* G 81 H4* G 81 6.313 18.209 -5.894
140 H3* G 81 H3* G 81 8.704 19.739 -5.680
141 H1* G 81 H1* G 81 6.503 18.852 -2.853
142 H8 G 81 H8 G 81 9.983 17.946 -2.009
143 H1 G 81 H1 G 81 5.620 15.457 1.992
144 1H2 G 81 1H2 G 81 3.254 16.520 -0.434
145 2H2 G 81 2H2 G 81 3.410 15.655 0.988
146 H3T G 81 H3T G 81 7.280 21.312 -4.875
147 1H2* G 81 1H2* G 81 9.476 18.986 -3.858
148 2H2* G 81 2H2* G 81 8.359 20.220 -3.098
149 1H5* C 82 1H5* C 82 -0.280 15.741 7.624
150 2H5* C 82 2H5* C 82 -1.627 14.714 7.558
151 H4* C 82 H4* C 82 -0.572 15.040 5.415
152 H3* C 82 H3* C 82 -0.284 12.222 6.576
153 H1* C 82 H1* C 82 1.111 14.364 3.900
154 1H4 C 82 1H4 C 82 7.626 13.485 4.726
155 2H4 C 82 2H4 C 82 7.249 14.357 3.285
156 H5 C 82 H5 C 82 5.794 12.974 6.384
157 H6 C 82 H6 C 82 3.298 13.269 6.584
158 H5T C 82 H5T C 82 -0.597 13.987 9.319
159 1H2* C 82 1H2* C 82 1.760 12.018 5.577
160 2H2* C 82 2H2* C 82 0.743 12.289 4.041
161 1H5* G 83 1H5* G 83 -1.926 13.042 2.438
162 2H5* G 83 2H5* G 83 -3.227 11.877 2.082
163 H4* G 83 H4* G 83 -2.364 12.537 0.037
164 H3* G 83 H3* G 83 -2.558 9.766 0.533
165 H1* G 83 H1* G 83 0.738 11.000 -0.799
166 H8 G 83 H8 G 83 1.211 10.569 2.893
167 H1 G 83 H1 G 83 6.331 12.696 -0.348
168 1H2 G 83 1H2 G 83 3.789 13.424 -2.584
169 2H2 G 83 2H2 G 83 5.563 13.548 -2.334
170 1H2* G 83 1H2* G 83 -0.560 9.462 1.524
171 2H2* G 83 2H2* G 83 -0.107 8.989 -0.167
172 1H5* G 84 1H5* G 84 -0.828 12.297 -3.371
173 2H5* G 84 2H5* G 84 -2.231 12.621 -4.419
174 H4* G 84 H4* G 84 -0.787 12.853 -5.825
175 H3* G 84 H3* G 84 -1.700 10.515 -6.540
176 H1* G 84 H1* G 84 2.204 10.477 -5.967
177 H8 G 84 H8 G 84 0.035 9.558 -2.969
178 H1 G 84 H1 G 84 6.316 9.879 -1.530
179 1H2 G 84 1H2 G 84 6.678 10.876 -4.772
180 2H2 G 84 2H2 G 84 7.361 10.674 -3.185
181 1H2* G 84 1H2* G 84 -0.484 9.284 -5.107
182 2H2* G 84 2H2* G 84 0.500 8.970 -6.542
183 1H5* G 85 1H5* G 85 2.403 11.005 -8.468
184 2H5* G 85 2H5* G 85 2.397 10.296 -10.198
185 H4* G 85 H4* G 85 4.315 9.569 -9.168
186 H3* G 85 H3* G 85 2.155 7.858 -10.204
187 H1* G 85 H1* G 85 4.426 7.181 -7.362
188 H8 G 85 H8 G 85 1.090 6.832 -5.609
189 H1 G 85 H1 G 85 6.580 6.381 -2.097
190 1H2 G 85 1H2 G 85 7.848 7.636 -5.044
191 2H2 G 85 2H2 G 85 8.163 6.936 -3.387
192 1H2* G 85 1H2* G 85 1.524 7.207 -7.984
193 2H2* G 85 2H2* G 85 2.829 5.912 -8.330
194 1H5* G 86 1H5* G 86 6.585 7.852 -9.576
195 2H5* G 86 2H5* G 86 7.277 8.849 -10.822
196 H4* G 86 H4* G 86 9.105 7.805 -10.882
197 H3* G 86 H3* G 86 7.813 5.785 -12.290
198 H1* G 86 H1* G 86 9.099 4.548 -8.760
199 H8 G 86 H8 G 86 5.555 5.640 -9.075
200 H1 G 86 H1 G 86 7.219 3.199 -3.362
201 1H2 G 86 1H2 G 86 10.406 3.218 -4.746
202 2H2 G 86 2H2 G 86 9.385 2.752 -3.405
203 1H2* G 86 1H2* G 86 6.793 4.663 -10.570
204 2H2* G 86 2H2* G 86 8.322 3.768 -10.846
205 1H5* A 87 1H5* A 87 11.575 4.328 -10.050
206 2H5* A 87 2H5* A 87 12.617 3.699 -11.258
207 H4* A 87 H4* A 87 12.867 2.496 -9.291
208 H3* A 87 H3* A 87 12.506 1.120 -11.612
209 H1* A 87 H1* A 87 10.755 -0.022 -8.489
210 H8 A 87 H8 A 87 8.121 1.474 -10.791
211 1H6 A 87 1H6 A 87 4.697 1.585 -5.539
212 2H6 A 87 2H6 A 87 4.621 1.873 -7.301
213 H2 A 87 H2 A 87 8.452 -0.297 -4.709
214 1H2* A 87 1H2* A 87 10.208 0.876 -11.262
215 2H2* A 87 2H2* A 87 10.777 -0.777 -10.690
216 1H5* T 88 1H5* T 88 12.935 -0.908 -7.828
217 2H5* T 88 2H5* T 88 14.072 -2.270 -7.939
218 H4* T 88 H4* T 88 12.348 -2.209 -5.935
219 H3* T 88 H3* T 88 13.052 -4.481 -7.663
220 1H2* T 88 1H2* T 88 11.230 -4.306 -8.816
221 2H2* T 88 2H2* T 88 10.605 -5.497 -7.796
222 H1* T 88 H1* T 88 9.777 -3.675 -6.201
223 H3 T 88 H3 T 88 5.685 -2.511 -7.187
224 1H5M T 88 1H5M T 88 8.601 -1.847 -11.749
225 2H5M T 88 2H5M T 88 6.980 -2.556 -11.848
226 3H5M T 88 3H5M T 88 7.174 -0.840 -11.486
227 H6 T 88 H6 T 88 9.608 -2.912 -9.852
228 1H5* T 89 1H5* T 89 10.585 -5.137 -3.861
229 2H5* T 89 2H5* T 89 11.401 -6.291 -2.721
230 H4* T 89 H4* T 89 9.117 -6.737 -2.414
231 H3* T 89 H3* T 89 10.459 -8.780 -3.761
232 1H2* T 89 1H2* T 89 9.688 -8.026 -5.798
233 2H2* T 89 2H2* T 89 8.508 -9.358 -5.377
234 H1* T 89 H1* T 89 7.186 -7.552 -4.273
235 H3 T 89 H3 T 89 4.225 -5.678 -7.130
236 1H5M T 89 1H5M T 89 7.933 -5.369 -10.438
237 2H5M T 89 2H5M T 89 9.116 -6.311 -9.570
238 3H5M T 89 3H5M T 89 7.830 -7.216 -10.251
239 H6 T 89 H6 T 89 8.887 -6.784 -7.440
240 1H5* A 90 1H5* A 90 7.003 -7.826 -1.182
241 2H5* A 90 2H5* A 90 7.491 -8.236 0.440
242 H4* A 90 H4* A 90 5.225 -8.394 0.800
243 H3* A 90 H3* A 90 6.092 -10.766 0.493
244 H1* A 90 H1* A 90 3.013 -9.779 -1.791
245 H8 A 90 H8 A 90 6.361 -10.168 -3.523
246 1H6 A 90 1H6 A 90 3.007 -8.114 -8.345
247 2H6 A 90 2H6 A 90 4.615 -8.762 -7.987
248 H2 A 90 H2 A 90 0.511 -8.062 -4.924
249 1H2* A 90 1H2* A 90 5.920 -11.061 -1.591
250 2H2* A 90 2H2* A 90 4.327 -11.877 -1.378
251 1H5* G 91 1H5* G 91 1.702 -10.197 -0.075
252 2H5* G 91 2H5* G 91 0.919 -11.024 1.253
253 H4* G 91 H4* G 91 -0.799 -10.518 -0.254
254 H3* G 91 H3* G 91 -0.455 -13.180 0.370
255 H1* G 91 H1* G 91 -1.097 -11.858 -3.155
256 H8 G 91 H8 G 91 2.641 -12.851 -2.700
257 H1 G 91 H1 G 91 1.101 -11.219 -8.742
258 1H2 G 91 1H2 G 91 -2.048 -10.613 -7.328
259 2H2 G 91 2H2 G 91 -0.943 -10.269 -8.633
260 1H2* G 91 1H2* G 91 0.588 -13.897 -1.618
261 2H2* G 91 2H2* G 91 -1.165 -13.889 -2.138
262 1H5* A 92 1H5* A 92 -3.725 -11.763 -2.244
263 2H5* A 92 2H5* A 92 -5.320 -12.136 -1.573
264 H4* A 92 H4* A 92 -5.929 -11.882 -3.608
265 H3* A 92 H3* A 92 -6.368 -14.323 -2.711
266 H1* A 92 H1* A 92 -5.113 -13.618 -6.252
267 H8 A 92 H8 A 92 -2.456 -15.012 -3.893
268 1H6 A 92 1H6 A 92 1.485 -14.391 -8.541
269 2H6 A 92 2H6 A 92 1.252 -14.912 -6.889
270 H2 A 92 H2 A 92 -2.531 -13.293 -10.009
271 1H2* A 92 1H2* A 92 -4.495 -15.322 -3.736
272 2H2* A 92 2H2* A 92 -5.733 -15.524 -5.141
273 1H5* G 93 1H5* G 93 -7.722 -13.420 -7.085
274 2H5* G 93 2H5* G 93 -9.364 -13.720 -7.089
275 H4* G 93 H4* G 93 -8.758 -14.244 -9.361
276 H3* G 93 H3* G 93 -9.488 -16.276 -7.924
277 H1* G 93 H1* G 93 -6.387 -16.361 -10.252
278 H8 G 93 H8 G 93 -5.706 -17.124 -6.673
279 H1 G 93 H1 G 93 -0.417 -17.364 -10.533
280 1H2 G 93 1H2 G 93 -2.768 -16.429 -12.856
281 2H2 G 93 2H2 G 93 -1.069 -16.836 -12.464
282 1H2* G 93 1H2* G 93 -7.569 -17.215 -7.511
283 2H2* G 93 2H2* G 93 -7.601 -18.058 -9.012
284 1H5* C 94 1H5* C 94 -8.217 -16.946 -11.973
285 2H5* C 94 2H5* C 94 -9.255 -17.890 -13.085
286 H4* C 94 H4* C 94 -6.908 -18.337 -13.672
287 H3* C 94 H3* C 94 -8.691 -20.425 -12.489
288 H1* C 94 H1* C 94 -5.046 -19.883 -12.876
289 1H4 C 94 1H4 C 94 -2.684 -20.617 -6.716
290 2H4 C 94 2H4 C 94 -1.297 -20.545 -7.768
291 H5 C 94 H5 C 94 -4.748 -20.175 -7.366
292 H6 C 94 H6 C 94 -6.249 -19.597 -9.323
293 H3T C 94 H3T C 94 -7.222 -21.665 -14.192
294 1H2* C 94 1H2* C 94 -6.928 -21.195 -10.994
295 2H2* C 94 2H2* C 94 -6.117 -21.805 -12.311
296 1H GLY 1 1H GLY 1 4.430 -2.742 6.240
297 2H GLY 1 2H GLY 1 5.359 -3.637 5.335
298 3H GLY 1 3H GLY 1 4.723 -4.343 6.707
299 1HA GLY 1 1HA GLY 1 3.463 -3.684 4.164
300 2HA GLY 1 2HA GLY 1 3.622 -5.337 5.020
301 HA PRO 2 HA PRO 2 0.475 -3.232 7.517
302 1HB PRO 2 1HB PRO 2 -0.929 -1.100 6.199
303 2HB PRO 2 2HB PRO 2 0.246 -0.946 7.567
304 1HG PRO 2 1HG PRO 2 0.378 -0.694 4.512
305 2HG PRO 2 2HG PRO 2 1.244 0.263 5.610
306 1HD PRO 2 1HD PRO 2 2.359 -1.822 4.265
307 2HD PRO 2 2HD PRO 2 2.898 -1.503 5.965
308 H ARG 3 H ARG 3 -0.338 -3.618 4.122
309 HA ARG 3 HA ARG 3 -2.972 -4.626 4.921
310 1HB ARG 3 1HB ARG 3 -3.448 -2.931 3.644
311 2HB ARG 3 2HB ARG 3 -1.978 -2.860 2.745
312 1HG ARG 3 1HG ARG 3 -3.459 -3.522 1.144
313 2HG ARG 3 2HG ARG 3 -2.659 -5.051 1.499
314 1HD ARG 3 1HD ARG 3 -4.876 -5.480 2.983
315 2HD ARG 3 2HD ARG 3 -5.437 -3.948 2.539
316 HE ARG 3 HE ARG 3 -5.490 -4.624 0.241
317 1HH1 ARG 3 2HH1 ARG 3 -4.437 -7.553 2.053
318 2HH1 ARG 3 1HH1 ARG 3 -4.676 -8.452 0.595
319 1HH2 ARG 3 2HH2 ARG 3 -6.100 -5.991 -1.232
320 2HH2 ARG 3 1HH2 ARG 3 -5.600 -7.689 -1.065
321 H ARG 4 H ARG 4 0.023 -5.708 3.662
322 HA ARG 4 HA ARG 4 -0.523 -8.132 2.252
323 1HB ARG 4 1HB ARG 4 1.679 -6.909 3.102
324 2HB ARG 4 2HB ARG 4 1.321 -7.801 4.600
325 1HG ARG 4 1HG ARG 4 1.767 -9.862 3.665
326 2HG ARG 4 2HG ARG 4 1.802 -8.929 2.015
327 1HD ARG 4 1HD ARG 4 4.081 -9.665 3.201
328 2HD ARG 4 2HD ARG 4 4.056 -8.073 2.570
329 HE ARG 4 HE ARG 4 4.444 -7.436 4.810
330 1HH1 ARG 4 2HH1 ARG 4 2.933 -10.443 4.753
331 2HH1 ARG 4 1HH1 ARG 4 3.139 -10.878 6.409
332 1HH2 ARG 4 2HH2 ARG 4 4.376 -7.790 7.282
333 2HH2 ARG 4 1HH2 ARG 4 4.090 -9.445 7.660
334 H THR 5 H THR 5 -1.573 -7.687 5.491
335 HA THR 5 HA THR 5 -2.538 -10.342 5.533
336 HB THR 5 HB THR 5 -0.422 -10.891 6.517
337 HG1 THR 5 HG1 THR 5 -1.025 -11.519 8.388
338 1HG2 THR 5 1HG2 THR 5 -0.586 -8.376 8.006
339 2HG2 THR 5 2HG2 THR 5 0.617 -8.876 6.794
340 3HG2 THR 5 3HG2 THR 5 0.498 -9.787 8.373
341 H ARG 6 H ARG 6 -3.664 -10.489 7.814
342 HA ARG 6 HA ARG 6 -5.562 -10.088 8.946
343 1HB ARG 6 1HB ARG 6 -3.930 -7.579 9.375
344 2HB ARG 6 2HB ARG 6 -5.120 -8.256 10.574
345 1HG ARG 6 1HG ARG 6 -2.493 -9.449 9.645
346 2HG ARG 6 2HG ARG 6 -2.868 -8.757 11.140
347 1HD ARG 6 1HD ARG 6 -3.960 -11.311 10.039
348 2HD ARG 6 2HD ARG 6 -2.978 -11.144 11.433
349 HE ARG 6 HE ARG 6 -5.135 -9.672 12.287
350 1HH1 ARG 6 2HH1 ARG 6 -5.322 -12.816 10.778
351 2HH1 ARG 6 1HH1 ARG 6 -6.178 -13.512 12.194
352 1HH2 ARG 6 2HH2 ARG 6 -6.501 -10.363 13.651
353 2HH2 ARG 6 1HH2 ARG 6 -7.009 -12.074 13.686
354 H THR 7 H THR 7 -5.425 -8.181 6.380
355 HA THR 7 HA THR 7 -8.217 -7.578 6.296
356 HB THR 7 HB THR 7 -6.280 -5.395 6.032
357 HG1 THR 7 HG1 THR 7 -6.151 -5.702 8.095
358 1HG2 THR 7 1HG2 THR 7 -8.201 -3.637 6.158
359 2HG2 THR 7 2HG2 THR 7 -9.256 -5.035 5.758
360 3HG2 THR 7 3HG2 THR 7 -7.987 -4.609 4.703
361 H THR 8 H THR 8 -9.036 -7.613 4.312
362 HA THR 8 HA THR 8 -7.124 -7.262 2.097
363 HB THR 8 HB THR 8 -7.628 -9.673 3.137
364 HG1 THR 8 HG1 THR 8 -7.644 -9.102 0.351
365 1HG2 THR 8 1HG2 THR 8 -9.652 -10.137 1.021
366 2HG2 THR 8 2HG2 THR 8 -10.053 -9.246 2.474
367 3HG2 THR 8 3HG2 THR 8 -9.423 -10.958 2.498
368 H PHE 9 H PHE 9 -9.511 -5.769 2.999
369 HA PHE 9 HA PHE 9 -11.051 -4.724 2.575
370 1HB PHE 9 1HB PHE 9 -10.466 -5.216 -0.288
371 2HB PHE 9 2HB PHE 9 -11.731 -4.049 0.519
372 HD1 PHE 9 HD1 PHE 9 -8.027 -4.722 0.544
373 HD2 PHE 9 HD2 PHE 9 -11.209 -1.689 0.701
374 HE1 PHE 9 HE1 PHE 9 -6.364 -2.903 0.565
375 HE2 PHE 9 HE2 PHE 9 -9.553 0.032 0.655
376 HZ PHE 9 HZ PHE 9 -7.032 -0.538 0.725
377 H THR 10 H THR 10 -13.500 -4.765 1.277
378 HA THR 10 HA THR 10 -14.518 -7.318 0.326
379 HB THR 10 HB THR 10 -16.433 -7.601 1.759
380 HG1 THR 10 HG1 THR 10 -16.869 -6.076 3.322
381 1HG2 THR 10 1HG2 THR 10 -15.801 -7.247 4.265
382 2HG2 THR 10 2HG2 THR 10 -14.245 -6.627 3.777
383 3HG2 THR 10 3HG2 THR 10 -14.774 -8.301 3.319
384 H SER 11 H SER 11 -16.408 -7.148 -0.750
385 HA SER 11 HA SER 11 -16.618 -5.049 -2.579
386 1HB SER 11 1HB SER 11 -19.060 -6.540 -1.652
387 2HB SER 11 2HB SER 11 -18.623 -5.860 -3.309
388 HG SER 11 HG SER 11 -17.147 -7.368 -3.529
389 H SER 12 H SER 12 -18.364 -5.229 0.597
390 HA SER 12 HA SER 12 -19.873 -2.716 0.470
391 1HB SER 12 1HB SER 12 -18.763 -4.354 2.696
392 2HB SER 12 2HB SER 12 -20.119 -3.294 2.753
393 HG SER 12 HG SER 12 -21.147 -4.941 2.529
394 H GLN 13 H GLN 13 -16.606 -3.255 1.348
395 HA GLN 13 HA GLN 13 -16.164 -0.708 2.674
396 1HB GLN 13 1HB GLN 13 -13.950 -2.694 1.690
397 2HB GLN 13 2HB GLN 13 -13.773 -1.268 2.615
398 1HG GLN 13 1HG GLN 13 -15.563 -2.190 4.293
399 2HG GLN 13 2HG GLN 13 -15.578 -3.701 3.504
400 1HE2 GLN 13 1HE2 GLN 13 -13.972 -1.923 5.920
401 2HE2 GLN 13 2HE2 GLN 13 -12.701 -3.121 6.133
402 H ILE 14 H ILE 14 -15.035 -2.323 -0.474
403 HA ILE 14 HA ILE 14 -14.285 0.240 -1.687
404 HB ILE 14 HB ILE 14 -15.302 -2.307 -2.919
405 1HG1 ILE 14 1HG1 ILE 14 -12.333 -1.673 -2.765
406 2HG1 ILE 14 2HG1 ILE 14 -13.134 -2.602 -1.445
407 1HG2 ILE 14 1HG2 ILE 14 -15.361 -0.542 -4.471
408 2HG2 ILE 14 2HG2 ILE 14 -13.772 0.039 -4.004
409 3HG2 ILE 14 3HG2 ILE 14 -13.932 -1.482 -4.915
410 1HD1 ILE 14 1HD1 ILE 14 -13.285 -3.482 -4.312
411 2HD1 ILE 14 2HD1 ILE 14 -12.155 -3.937 -3.058
412 3HD1 ILE 14 3HD1 ILE 14 -13.885 -4.194 -2.707
413 H ALA 15 H ALA 15 -17.443 -1.308 -1.325
414 HA ALA 15 HA ALA 15 -18.756 0.517 -3.010
415 1HB ALA 15 1HB ALA 15 -19.786 -1.624 -2.142
416 2HB ALA 15 2HB ALA 15 -20.033 -0.788 -0.503
417 3HB ALA 15 3HB ALA 15 -20.782 -0.262 -2.008
418 H GLU 16 H GLU 16 -18.096 0.861 0.467
419 HA GLU 16 HA GLU 16 -19.178 3.579 0.808
420 1HB GLU 16 1HB GLU 16 -16.981 1.823 2.115
421 2HB GLU 16 2HB GLU 16 -17.314 3.507 2.447
422 1HG GLU 16 1HG GLU 16 -18.781 1.114 3.415
423 2HG GLU 16 2HG GLU 16 -17.859 2.376 4.249
424 H LEU 17 H LEU 17 -15.882 2.198 -0.051
425 HA LEU 17 HA LEU 17 -14.586 4.590 0.198
426 1HB LEU 17 1HB LEU 17 -14.158 2.219 -1.457
427 2HB LEU 17 2HB LEU 17 -13.057 3.607 -1.737
428 HG LEU 17 HG LEU 17 -13.755 2.548 0.946
429 1HD1 LEU 17 1HD1 LEU 17 -11.352 1.394 -0.551
430 2HD1 LEU 17 2HD1 LEU 17 -12.773 0.593 -0.022
431 3HD1 LEU 17 3HD1 LEU 17 -11.791 1.139 1.242
432 1HD2 LEU 17 1HD2 LEU 17 -11.371 3.533 1.364
433 2HD2 LEU 17 2HD2 LEU 17 -12.723 4.601 1.155
434 3HD2 LEU 17 3HD2 LEU 17 -11.696 4.421 -0.215
435 H GLU 18 H GLU 18 -16.175 3.215 -2.680
436 HA GLU 18 HA GLU 18 -15.905 5.195 -4.619
437 1HB GLU 18 1HB GLU 18 -17.885 2.882 -4.336
438 2HB GLU 18 2HB GLU 18 -17.966 3.948 -5.612
439 1HG GLU 18 1HG GLU 18 -15.677 2.220 -4.792
440 2HG GLU 18 2HG GLU 18 -17.004 1.644 -5.796
441 H GLN 19 H GLN 19 -18.588 4.741 -2.219
442 HA GLN 19 HA GLN 19 -20.164 6.834 -3.351
443 1HB GLN 19 1HB GLN 19 -20.607 4.935 -1.545
444 2HB GLN 19 2HB GLN 19 -19.995 6.173 -0.458
445 1HG GLN 19 1HG GLN 19 -22.532 5.917 -0.866
446 2HG GLN 19 2HG GLN 19 -22.020 7.540 -0.929
447 1HE2 GLN 19 1HE2 GLN 19 -23.365 8.451 -2.526
448 2HE2 GLN 19 2HE2 GLN 19 -23.515 7.728 -4.153
449 H HIS 20 H HIS 20 -17.788 6.973 -0.439
450 HA HIS 20 HA HIS 20 -18.246 9.773 -0.360
451 1HB HIS 20 1HB HIS 20 -16.228 8.017 1.157
452 2HB HIS 20 2HB HIS 20 -16.484 9.675 1.390
453 HD1 HIS 20 HD1 HIS 20 -19.038 10.474 2.331
454 HD2 HIS 20 HD2 HIS 20 -18.119 6.483 2.255
455 HE1 HIS 20 HE1 HIS 20 -21.051 9.280 3.266
456 H PHE 21 H PHE 21 -15.663 7.848 -1.858
457 HA PHE 21 HA PHE 21 -14.082 9.837 -3.037
458 1HB PHE 21 1HB PHE 21 -13.616 7.690 -3.649
459 2HB PHE 21 2HB PHE 21 -15.285 7.363 -3.972
460 HD1 PHE 21 HD1 PHE 21 -16.195 7.474 -6.149
461 HD2 PHE 21 HD2 PHE 21 -12.380 9.333 -5.484
462 HE1 PHE 21 HE1 PHE 21 -16.020 8.067 -8.515
463 HE2 PHE 21 HE2 PHE 21 -12.197 9.746 -7.931
464 HZ PHE 21 HZ PHE 21 -13.962 8.978 -9.521
465 H LEU 22 H LEU 22 -17.630 9.128 -3.891
466 HA LEU 22 HA LEU 22 -17.662 10.804 -6.289
467 1HB LEU 22 1HB LEU 22 -19.831 10.478 -4.199
468 2HB LEU 22 2HB LEU 22 -20.065 11.115 -5.861
469 HG LEU 22 HG LEU 22 -19.448 8.317 -4.833
470 1HD1 LEU 22 1HD1 LEU 22 -21.440 9.406 -6.602
471 2HD1 LEU 22 2HD1 LEU 22 -21.576 8.893 -4.881
472 3HD1 LEU 22 3HD1 LEU 22 -21.267 7.630 -6.220
473 1HD2 LEU 22 1HD2 LEU 22 -17.902 8.735 -7.046
474 2HD2 LEU 22 2HD2 LEU 22 -19.463 8.388 -7.836
475 3HD2 LEU 22 3HD2 LEU 22 -18.696 7.288 -6.686
476 H GLN 23 H GLN 23 -17.708 11.666 -2.939
477 HA GLN 23 HA GLN 23 -18.047 14.593 -3.286
478 1HB GLN 23 1HB GLN 23 -17.196 13.122 -0.885
479 2HB GLN 23 2HB GLN 23 -17.826 14.671 -0.874
480 1HG GLN 23 1HG GLN 23 -19.232 12.060 -1.471
481 2HG GLN 23 2HG GLN 23 -19.266 12.966 -0.023
482 1HE2 GLN 23 1HE2 GLN 23 -21.276 12.275 -2.626
483 2HE2 GLN 23 2HE2 GLN 23 -22.312 13.698 -2.337
484 H GLY 24 H GLY 24 -15.306 12.564 -3.670
485 1HA GLY 24 1HA GLY 24 -13.328 14.800 -3.553
486 2HA GLY 24 2HA GLY 24 -13.108 13.839 -2.204
487 H ARG 25 H ARG 25 -12.146 14.081 -5.446
488 HA ARG 25 HA ARG 25 -12.077 11.355 -6.214
489 1HB ARG 25 1HB ARG 25 -10.515 13.675 -7.208
490 2HB ARG 25 2HB ARG 25 -10.589 12.161 -8.024
491 1HG ARG 25 1HG ARG 25 -12.854 14.188 -7.451
492 2HG ARG 25 2HG ARG 25 -12.277 13.617 -9.035
493 1HD ARG 25 1HD ARG 25 -13.369 11.475 -8.614
494 2HD ARG 25 2HD ARG 25 -14.144 12.144 -7.086
495 HE ARG 25 HE ARG 25 -14.978 14.048 -8.763
496 1HH1 ARG 25 2HH1 ARG 25 -15.505 10.572 -8.731
497 2HH1 ARG 25 1HH1 ARG 25 -17.198 10.860 -9.347
498 1HH2 ARG 25 2HH2 ARG 25 -16.741 14.178 -9.934
499 2HH2 ARG 25 1HH2 ARG 25 -17.922 12.901 -9.868
500 H TYR 26 H TYR 26 -9.874 13.069 -3.969
501 HA TYR 26 HA TYR 26 -8.480 10.581 -3.503
502 1HB TYR 26 1HB TYR 26 -6.358 11.592 -3.638
503 2HB TYR 26 2HB TYR 26 -6.977 10.988 -5.042
504 HD1 TYR 26 HD1 TYR 26 -4.588 12.964 -4.596
505 HD2 TYR 26 HD2 TYR 26 -8.644 13.548 -6.077
506 HE1 TYR 26 HE1 TYR 26 -3.813 15.023 -5.856
507 HE2 TYR 26 HE2 TYR 26 -7.852 15.741 -6.986
508 HH TYR 26 HH TYR 26 -4.427 16.681 -7.114
509 H LEU 27 H LEU 27 -6.608 11.255 -1.751
510 HA LEU 27 HA LEU 27 -8.196 12.660 0.270
511 1HB LEU 27 1HB LEU 27 -8.450 10.782 1.809
512 2HB LEU 27 2HB LEU 27 -9.100 10.405 0.206
513 HG LEU 27 HG LEU 27 -7.254 8.776 -0.059
514 1HD1 LEU 27 1HD1 LEU 27 -5.778 8.424 1.426
515 2HD1 LEU 27 2HD1 LEU 27 -5.897 9.871 2.457
516 3HD1 LEU 27 3HD1 LEU 27 -5.418 9.977 0.712
517 1HD2 LEU 27 1HD2 LEU 27 -7.979 7.269 1.616
518 2HD2 LEU 27 2HD2 LEU 27 -9.296 8.378 1.278
519 3HD2 LEU 27 3HD2 LEU 27 -8.242 8.752 2.652
520 H THR 28 H THR 28 -7.510 12.342 2.550
521 HA THR 28 HA THR 28 -4.798 13.366 3.061
522 HB THR 28 HB THR 28 -5.834 15.460 3.964
523 HG1 THR 28 HG1 THR 28 -8.040 15.859 3.558
524 1HG2 THR 28 1HG2 THR 28 -6.493 16.559 1.881
525 2HG2 THR 28 2HG2 THR 28 -6.933 15.045 1.102
526 3HG2 THR 28 3HG2 THR 28 -5.222 15.389 1.674
527 H ALA 29 H ALA 29 -4.788 13.777 5.652
528 HA ALA 29 HA ALA 29 -5.574 11.675 7.043
529 1HB ALA 29 1HB ALA 29 -5.203 14.546 7.978
530 2HB ALA 29 2HB ALA 29 -4.973 13.045 8.958
531 3HB ALA 29 3HB ALA 29 -3.955 13.439 7.461
532 HA PRO 30 HA PRO 30 -9.645 13.710 8.897
533 1HB PRO 30 1HB PRO 30 -10.996 15.359 7.219
534 2HB PRO 30 2HB PRO 30 -9.831 15.876 8.490
535 1HG PRO 30 1HG PRO 30 -9.375 15.659 5.585
536 2HG PRO 30 2HG PRO 30 -8.867 16.943 6.668
537 1HD PRO 30 1HD PRO 30 -7.162 14.953 5.909
538 2HD PRO 30 2HD PRO 30 -7.127 15.650 7.490
539 H ARG 31 H ARG 31 -9.307 13.283 5.271
540 HA ARG 31 HA ARG 31 -11.781 12.001 4.854
541 1HB ARG 31 1HB ARG 31 -9.155 12.382 3.293
542 2HB ARG 31 2HB ARG 31 -10.219 11.234 2.673
543 1HG ARG 31 1HG ARG 31 -10.536 13.175 1.481
544 2HG ARG 31 2HG ARG 31 -11.996 12.795 2.272
545 1HD ARG 31 1HD ARG 31 -11.424 14.524 4.095
546 2HD ARG 31 2HD ARG 31 -10.010 14.932 3.221
547 HE ARG 31 HE ARG 31 -12.799 15.579 2.534
548 1HH1 ARG 31 2HH1 ARG 31 -9.540 15.736 1.504
549 2HH1 ARG 31 1HH1 ARG 31 -9.945 16.454 -0.072
550 1HH2 ARG 31 2HH2 ARG 31 -13.314 16.436 0.657
551 2HH2 ARG 31 1HH2 ARG 31 -12.124 17.131 -0.388
552 H LEU 32 H LEU 32 -8.422 10.777 4.758
553 HA LEU 32 HA LEU 32 -8.868 8.272 4.607
554 1HB LEU 32 1HB LEU 32 -6.635 9.586 4.448
555 2HB LEU 32 2HB LEU 32 -6.873 9.913 6.163
556 HG LEU 32 HG LEU 32 -6.852 7.112 6.001
557 1HD1 LEU 32 1HD1 LEU 32 -6.471 7.058 3.658
558 2HD1 LEU 32 2HD1 LEU 32 -4.891 6.620 4.433
559 3HD1 LEU 32 3HD1 LEU 32 -5.089 8.170 3.783
560 1HD2 LEU 32 1HD2 LEU 32 -4.228 7.524 6.674
561 2HD2 LEU 32 2HD2 LEU 32 -5.245 8.514 7.562
562 3HD2 LEU 32 3HD2 LEU 32 -4.584 9.196 6.060
563 H ALA 33 H ALA 33 -8.844 10.064 7.654
564 HA ALA 33 HA ALA 33 -9.232 8.030 9.464
565 1HB ALA 33 1HB ALA 33 -9.781 9.735 10.985
566 2HB ALA 33 2HB ALA 33 -8.299 10.022 10.143
567 3HB ALA 33 3HB ALA 33 -9.790 10.935 9.718
568 H ASP 34 H ASP 34 -11.668 10.214 8.006
569 HA ASP 34 HA ASP 34 -13.895 9.117 9.404
570 1HB ASP 34 1HB ASP 34 -13.929 11.375 8.306
571 2HB ASP 34 2HB ASP 34 -13.944 10.609 6.722
572 H LEU 35 H LEU 35 -13.104 8.565 5.814
573 HA LEU 35 HA LEU 35 -14.694 6.333 5.676
574 1HB LEU 35 1HB LEU 35 -12.814 7.888 4.228
575 2HB LEU 35 2HB LEU 35 -12.322 6.167 4.211
576 HG LEU 35 HG LEU 35 -13.856 5.439 2.903
577 1HD1 LEU 35 1HD1 LEU 35 -15.771 7.740 3.284
578 2HD1 LEU 35 2HD1 LEU 35 -15.996 6.139 3.918
579 3HD1 LEU 35 3HD1 LEU 35 -15.918 6.329 2.190
580 1HD2 LEU 35 1HD2 LEU 35 -12.363 7.088 1.854
581 2HD2 LEU 35 2HD2 LEU 35 -13.811 8.221 1.771
582 3HD2 LEU 35 3HD2 LEU 35 -13.836 6.729 0.906
583 H SER 36 H SER 36 -11.274 6.441 7.111
584 HA SER 36 HA SER 36 -10.985 3.671 6.986
585 1HB SER 36 1HB SER 36 -9.483 3.659 8.792
586 2HB SER 36 2HB SER 36 -9.133 4.953 7.705
587 HG SER 36 HG SER 36 -10.373 6.214 9.246
588 H ALA 37 H ALA 37 -12.370 5.597 9.500
589 HA ALA 37 HA ALA 37 -13.170 3.450 11.213
590 1HB ALA 37 1HB ALA 37 -14.246 5.262 12.500
591 2HB ALA 37 2HB ALA 37 -12.619 5.721 12.001
592 3HB ALA 37 3HB ALA 37 -13.974 6.397 11.113
593 H LYS 38 H LYS 38 -15.047 4.935 8.562
594 HA LYS 38 HA LYS 38 -17.547 3.670 9.381
595 1HB LYS 38 1HB LYS 38 -17.250 6.104 8.141
596 2HB LYS 38 2HB LYS 38 -17.456 4.895 6.830
597 1HG LYS 38 1HG LYS 38 -19.514 4.060 8.060
598 2HG LYS 38 2HG LYS 38 -19.341 5.116 9.354
599 1HD LYS 38 1HD LYS 38 -21.072 6.013 7.933
600 2HD LYS 38 2HD LYS 38 -19.736 7.171 7.844
601 1HE LYS 38 1HE LYS 38 -18.891 6.546 5.722
602 2HE LYS 38 2HE LYS 38 -19.604 5.033 5.753
603 1HZ LYS 38 1HZ LYS 38 -21.279 7.486 5.502
604 2HZ LYS 38 2HZ LYS 38 -21.862 5.946 5.561
605 3HZ LYS 38 3HZ LYS 38 -21.022 6.514 4.282
606 H LEU 39 H LEU 39 -15.222 3.349 6.514
607 HA LEU 39 HA LEU 39 -16.591 1.156 5.482
608 1HB LEU 39 1HB LEU 39 -13.513 1.604 5.565
609 2HB LEU 39 2HB LEU 39 -14.119 0.508 4.557
610 HG LEU 39 HG LEU 39 -14.692 1.939 2.907
611 1HD1 LEU 39 1HD1 LEU 39 -15.468 3.942 2.960
612 2HD1 LEU 39 2HD1 LEU 39 -14.960 4.359 4.674
613 3HD1 LEU 39 3HD1 LEU 39 -16.253 3.203 4.414
614 1HD2 LEU 39 1HD2 LEU 39 -12.303 2.016 3.403
615 2HD2 LEU 39 2HD2 LEU 39 -12.585 3.312 4.593
616 3HD2 LEU 39 3HD2 LEU 39 -12.735 3.642 2.889
617 H ALA 40 H ALA 40 -14.418 1.415 8.086
618 HA ALA 40 HA ALA 40 -14.011 0.347 9.954
619 1HB ALA 40 1HB ALA 40 -16.369 -0.679 9.470
620 2HB ALA 40 2HB ALA 40 -15.532 -2.082 8.836
621 3HB ALA 40 3HB ALA 40 -15.382 -1.802 10.558
622 H LEU 41 H LEU 41 -11.983 0.530 8.492
623 HA LEU 41 HA LEU 41 -10.332 -1.827 9.026
624 1HB LEU 41 1HB LEU 41 -9.222 -1.596 6.824
625 2HB LEU 41 2HB LEU 41 -10.585 -2.544 6.940
626 HG LEU 41 HG LEU 41 -11.954 -0.617 5.883
627 1HD1 LEU 41 1HD1 LEU 41 -9.276 0.575 5.430
628 2HD1 LEU 41 2HD1 LEU 41 -10.588 1.280 6.507
629 3HD1 LEU 41 3HD1 LEU 41 -10.812 1.135 4.788
630 1HD2 LEU 41 1HD2 LEU 41 -11.210 -0.960 3.654
631 2HD2 LEU 41 2HD2 LEU 41 -11.019 -2.458 4.489
632 3HD2 LEU 41 3HD2 LEU 41 -9.603 -1.411 4.125
633 H GLY 42 H GLY 42 -8.021 -1.236 8.391
634 1HA GLY 42 1HA GLY 42 -6.864 0.934 9.781
635 2HA GLY 42 2HA GLY 42 -6.060 0.006 8.533
636 H THR 43 H THR 43 -6.502 3.136 9.400
637 HA THR 43 HA THR 43 -7.275 4.780 7.334
638 HB THR 43 HB THR 43 -5.128 6.103 7.972
639 HG1 THR 43 HG1 THR 43 -5.107 4.303 10.067
640 1HG2 THR 43 1HG2 THR 43 -7.318 6.688 8.859
641 2HG2 THR 43 2HG2 THR 43 -6.097 6.878 10.144
642 3HG2 THR 43 3HG2 THR 43 -7.231 5.415 10.112
643 H ALA 44 H ALA 44 -4.095 3.153 7.635
644 HA ALA 44 HA ALA 44 -2.898 4.014 5.416
645 1HB ALA 44 1HB ALA 44 -1.539 1.799 5.490
646 2HB ALA 44 2HB ALA 44 -1.947 2.484 6.998
647 3HB ALA 44 3HB ALA 44 -2.815 1.039 6.365
648 H GLN 45 H GLN 45 -5.415 1.342 5.509
649 HA GLN 45 HA GLN 45 -5.075 0.544 2.771
650 1HB GLN 45 1HB GLN 45 -7.224 0.211 4.908
651 2HB GLN 45 2HB GLN 45 -7.497 -0.403 3.253
652 1HG GLN 45 1HG GLN 45 -6.984 -2.227 4.304
653 2HG GLN 45 2HG GLN 45 -5.437 -1.792 3.464
654 1HE2 GLN 45 1HE2 GLN 45 -6.833 -2.204 6.853
655 2HE2 GLN 45 2HE2 GLN 45 -5.169 -2.222 7.317
656 H VAL 46 H VAL 46 -7.135 3.061 4.178
657 HA VAL 46 HA VAL 46 -8.721 3.483 1.802
658 HB VAL 46 HB VAL 46 -8.057 5.815 3.710
659 1HG1 VAL 46 1HG1 VAL 46 -10.080 6.614 3.044
660 2HG1 VAL 46 2HG1 VAL 46 -9.521 5.709 1.525
661 3HG1 VAL 46 3HG1 VAL 46 -10.816 5.135 2.676
662 1HG2 VAL 46 1HG2 VAL 46 -9.713 5.107 5.295
663 2HG2 VAL 46 2HG2 VAL 46 -10.055 3.716 4.293
664 3HG2 VAL 46 3HG2 VAL 46 -8.409 3.884 5.127
665 H LYS 47 H LYS 47 -5.617 5.180 2.963
666 HA LYS 47 HA LYS 47 -4.927 6.693 0.836
667 1HB LYS 47 1HB LYS 47 -3.745 5.471 3.098
668 2HB LYS 47 2HB LYS 47 -2.627 5.321 1.810
669 1HG LYS 47 1HG LYS 47 -2.118 7.480 1.501
670 2HG LYS 47 2HG LYS 47 -3.650 8.191 1.881
671 1HD LYS 47 1HD LYS 47 -1.429 8.431 3.173
672 2HD LYS 47 2HD LYS 47 -3.014 8.328 4.094
673 1HE LYS 47 1HE LYS 47 -2.729 6.325 4.935
674 2HE LYS 47 2HE LYS 47 -1.379 5.838 3.819
675 1HZ LYS 47 1HZ LYS 47 0.053 6.922 5.161
676 2HZ LYS 47 2HZ LYS 47 -0.843 6.651 6.390
677 3HZ LYS 47 3HZ LYS 47 -0.907 8.125 5.605
678 H ILE 48 H ILE 48 -3.847 3.308 1.259
679 HA ILE 48 HA ILE 48 -2.622 2.975 -1.224
680 HB ILE 48 HB ILE 48 -4.120 0.965 0.637
681 1HG1 ILE 48 1HG1 ILE 48 -1.245 1.269 0.109
682 2HG1 ILE 48 2HG1 ILE 48 -2.050 2.220 1.364
683 1HG2 ILE 48 1HG2 ILE 48 -2.841 -0.832 -0.817
684 2HG2 ILE 48 2HG2 ILE 48 -4.134 -0.031 -1.625
685 3HG2 ILE 48 3HG2 ILE 48 -2.440 0.412 -1.953
686 1HD1 ILE 48 1HD1 ILE 48 -0.980 0.262 2.342
687 2HD1 ILE 48 2HD1 ILE 48 -2.717 0.001 2.377
688 3HD1 ILE 48 3HD1 ILE 48 -1.793 -0.748 0.998
689 H TRP 49 H TRP 49 -6.012 2.577 -0.486
690 HA TRP 49 HA TRP 49 -6.920 1.564 -3.099
691 1HB TRP 49 1HB TRP 49 -8.483 1.604 -1.055
692 2HB TRP 49 2HB TRP 49 -8.471 3.368 -1.273
693 HD1 TRP 49 HD1 TRP 49 -9.177 0.427 -3.322
694 HE1 TRP 49 HE1 TRP 49 -11.197 0.718 -4.896
695 HE3 TRP 49 HE3 TRP 49 -10.070 5.192 -2.295
696 HZ2 TRP 49 HZ2 TRP 49 -13.330 2.719 -5.195
697 HZ3 TRP 49 HZ3 TRP 49 -12.079 6.354 -3.120
698 HH2 TRP 49 HH2 TRP 49 -13.741 5.165 -4.547
699 H PHE 50 H PHE 50 -6.861 4.902 -2.108
700 HA PHE 50 HA PHE 50 -7.641 5.969 -4.535
701 1HB PHE 50 1HB PHE 50 -6.282 7.286 -2.272
702 2HB PHE 50 2HB PHE 50 -6.613 8.088 -3.846
703 HD1 PHE 50 HD1 PHE 50 -8.985 8.465 -4.562
704 HD2 PHE 50 HD2 PHE 50 -8.203 6.747 -0.700
705 HE1 PHE 50 HE1 PHE 50 -11.168 9.248 -3.755
706 HE2 PHE 50 HE2 PHE 50 -10.451 7.060 -0.099
707 HZ PHE 50 HZ PHE 50 -11.866 8.691 -1.453
708 H LYS 51 H LYS 51 -4.386 5.465 -3.229
709 HA LYS 51 HA LYS 51 -2.846 6.351 -5.423
710 1HB LYS 51 1HB LYS 51 -2.380 4.386 -3.050
711 2HB LYS 51 2HB LYS 51 -1.197 4.749 -4.358
712 1HG LYS 51 1HG LYS 51 -0.837 6.893 -3.842
713 2HG LYS 51 2HG LYS 51 -2.245 7.046 -2.723
714 1HD LYS 51 1HD LYS 51 -0.172 6.886 -1.448
715 2HD LYS 51 2HD LYS 51 -1.358 5.739 -1.053
716 1HE LYS 51 1HE LYS 51 -0.174 3.837 -1.871
717 2HE LYS 51 2HE LYS 51 0.620 4.770 -3.101
718 1HZ LYS 51 1HZ LYS 51 1.541 4.771 -0.197
719 2HZ LYS 51 2HZ LYS 51 2.028 5.813 -1.305
720 3HZ LYS 51 3HZ LYS 51 2.313 4.257 -1.536
721 H ASN 52 H ASN 52 -3.909 2.998 -4.781
722 HA ASN 52 HA ASN 52 -2.841 2.046 -7.172
723 1HB ASN 52 1HB ASN 52 -3.869 0.023 -6.555
724 2HB ASN 52 2HB ASN 52 -3.647 0.697 -5.088
725 1HD2 ASN 52 1HD2 ASN 52 -5.014 -0.152 -3.930
726 2HD2 ASN 52 2HD2 ASN 52 -6.728 -0.351 -4.189
727 H ARG 53 H ARG 53 -6.239 3.399 -6.631
728 HA ARG 53 HA ARG 53 -7.308 2.961 -9.194
729 1HB ARG 53 1HB ARG 53 -8.158 4.347 -6.981
730 2HB ARG 53 2HB ARG 53 -7.674 5.702 -7.911
731 1HG ARG 53 1HG ARG 53 -9.078 5.082 -9.739
732 2HG ARG 53 2HG ARG 53 -9.733 3.793 -8.741
733 1HD ARG 53 1HD ARG 53 -10.605 5.052 -7.008
734 2HD ARG 53 2HD ARG 53 -10.089 6.617 -7.779
735 HE ARG 53 HE ARG 53 -11.825 6.408 -9.277
736 1HH1 ARG 53 2HH1 ARG 53 -12.097 3.372 -7.511
737 2HH1 ARG 53 1HH1 ARG 53 -13.784 3.563 -7.399
738 1HH2 ARG 53 2HH2 ARG 53 -14.038 6.026 -9.494
739 2HH2 ARG 53 1HH2 ARG 53 -14.720 4.712 -8.478
740 H ARG 54 H ARG 54 -5.295 5.918 -8.259
741 HA ARG 54 HA ARG 54 -5.208 6.771 -10.786
742 1HB ARG 54 1HB ARG 54 -3.050 7.331 -8.836
743 2HB ARG 54 2HB ARG 54 -3.650 8.417 -10.067
744 1HG ARG 54 1HG ARG 54 -5.521 7.551 -7.677
745 2HG ARG 54 2HG ARG 54 -4.576 9.002 -7.522
746 1HD ARG 54 1HD ARG 54 -5.544 10.019 -9.400
747 2HD ARG 54 2HD ARG 54 -6.091 8.353 -9.919
748 HE ARG 54 HE ARG 54 -7.218 9.838 -7.657
749 1HH1 ARG 54 2HH1 ARG 54 -7.687 8.047 -10.687
750 2HH1 ARG 54 1HH1 ARG 54 -9.367 7.669 -10.310
751 1HH2 ARG 54 2HH2 ARG 54 -9.498 9.721 -7.613
752 2HH2 ARG 54 1HH2 ARG 54 -10.309 8.756 -8.868
753 H ARG 55 H ARG 55 -2.775 4.629 -9.301
754 HA ARG 55 HA ARG 55 -0.930 4.561 -11.690
755 1HB ARG 55 1HB ARG 55 -1.514 2.563 -9.518
756 2HB ARG 55 2HB ARG 55 -0.346 2.304 -10.808
757 1HG ARG 55 1HG ARG 55 -0.184 4.559 -8.823
758 2HG ARG 55 2HG ARG 55 0.937 3.323 -8.808
759 1HD ARG 55 1HD ARG 55 0.693 5.448 -11.050
760 2HD ARG 55 2HD ARG 55 2.070 5.124 -9.933
761 HE ARG 55 HE ARG 55 1.450 3.873 -12.338
762 1HH1 ARG 55 2HH1 ARG 55 3.445 3.510 -9.469
763 2HH1 ARG 55 1HH1 ARG 55 4.139 2.032 -10.165
764 1HH2 ARG 55 2HH2 ARG 55 2.871 2.518 -13.301
765 2HH2 ARG 55 1HH2 ARG 55 3.952 1.586 -12.279
766 H ARG 56 H ARG 56 -3.638 2.364 -10.754
767 HA ARG 56 HA ARG 56 -3.628 0.798 -13.082
768 1HB ARG 56 1HB ARG 56 -5.133 0.532 -10.995
769 2HB ARG 56 2HB ARG 56 -6.135 1.753 -11.621
770 1HG ARG 56 1HG ARG 56 -6.615 0.768 -13.689
771 2HG ARG 56 2HG ARG 56 -5.641 -0.692 -13.287
772 1HD ARG 56 1HD ARG 56 -7.910 -1.199 -12.777
773 2HD ARG 56 2HD ARG 56 -7.074 -1.274 -11.309
774 HE ARG 56 HE ARG 56 -9.059 0.771 -12.071
775 1HH1 ARG 56 2HH1 ARG 56 -6.605 -0.062 -9.661
776 2HH1 ARG 56 1HH1 ARG 56 -7.519 0.639 -8.377
777 1HH2 ARG 56 2HH2 ARG 56 -10.165 1.740 -10.234
778 2HH2 ARG 56 1HH2 ARG 56 -9.448 1.401 -8.725
779 H HIS 57 H HIS 57 -5.775 3.824 -12.633
780 HA HIS 57 HA HIS 57 -6.832 3.886 -15.086
781 1HB HIS 57 1HB HIS 57 -6.224 6.019 -12.917
782 2HB HIS 57 2HB HIS 57 -6.977 6.455 -14.489
783 HD1 HIS 57 HD1 HIS 57 -9.469 7.112 -14.026
784 HD2 HIS 57 HD2 HIS 57 -8.112 3.482 -12.298
785 HE1 HIS 57 HE1 HIS 57 -11.362 6.153 -12.765
786 H LYS 58 H LYS 58 -3.896 5.848 -13.940
787 HA LYS 58 HA LYS 58 -3.160 6.974 -16.394
788 1HB LYS 58 1HB LYS 58 -1.236 7.825 -15.702
789 2HB LYS 58 2HB LYS 58 -2.306 7.893 -14.376
790 1HG LYS 58 1HG LYS 58 -1.084 5.679 -13.455
791 2HG LYS 58 2HG LYS 58 0.026 5.967 -14.860
792 1HD LYS 58 1HD LYS 58 1.127 7.074 -12.900
793 2HD LYS 58 2HD LYS 58 0.381 8.200 -14.092
794 1HE LYS 58 1HE LYS 58 -1.485 7.351 -12.078
795 2HE LYS 58 2HE LYS 58 -0.016 7.589 -11.206
796 1HZ LYS 58 1HZ LYS 58 0.329 9.765 -12.222
797 2HZ LYS 58 2HZ LYS 58 -0.989 9.828 -11.273
798 3HZ LYS 58 3HZ LYS 58 -1.124 9.873 -12.858
799 H ILE 59 H ILE 59 -2.127 4.068 -15.257
800 HA ILE 59 HA ILE 59 -0.531 3.168 -17.422
801 HB ILE 59 HB ILE 59 -2.219 1.666 -15.328
802 1HG1 ILE 59 1HG1 ILE 59 0.891 1.790 -15.568
803 2HG1 ILE 59 2HG1 ILE 59 0.001 3.110 -14.866
804 1HG2 ILE 59 1HG2 ILE 59 -1.958 -0.084 -16.924
805 2HG2 ILE 59 2HG2 ILE 59 -0.217 0.345 -17.313
806 3HG2 ILE 59 3HG2 ILE 59 -0.757 -0.347 -15.766
807 1HD1 ILE 59 1HD1 ILE 59 0.673 1.813 -13.106
808 2HD1 ILE 59 2HD1 ILE 59 -0.918 1.201 -13.275
809 3HD1 ILE 59 3HD1 ILE 59 0.457 0.234 -13.985
810 H GLN 60 H GLN 60 -4.146 2.506 -16.943
811 HA GLN 60 HA GLN 60 -4.708 1.369 -19.403
812 1HB GLN 60 1HB GLN 60 -6.277 2.991 -17.462
813 2HB GLN 60 2HB GLN 60 -7.063 2.212 -18.834
814 1HG GLN 60 1HG GLN 60 -6.494 -0.087 -18.172
815 2HG GLN 60 2HG GLN 60 -5.515 0.310 -16.967
816 1HE2 GLN 60 1HE2 GLN 60 -6.920 -1.305 -15.839
817 2HE2 GLN 60 2HE2 GLN 60 -8.549 -0.795 -15.458
818 H SER 61 H SER 61 -4.335 4.768 -18.611
819 HA SER 61 HA SER 61 -5.182 5.950 -21.197
820 1HB SER 61 1HB SER 61 -3.227 7.278 -19.319
821 2HB SER 61 2HB SER 61 -4.503 7.936 -20.306
822 HG SER 61 HG SER 61 -4.918 7.886 -18.040
823 H ASP 62 H ASP 62 -2.077 5.120 -19.858
824 HA ASP 62 HA ASP 62 -0.643 5.970 -22.235
825 1HB ASP 62 1HB ASP 62 0.137 5.252 -19.753
826 2HB ASP 62 2HB ASP 62 0.390 3.780 -20.539
827 H GLN 63 H GLN 63 -2.227 2.873 -21.264
828 HA GLN 63 HA GLN 63 -1.159 1.538 -23.560
829 1HB GLN 63 1HB GLN 63 -3.097 0.787 -21.261
830 2HB GLN 63 2HB GLN 63 -2.710 -0.403 -22.557
831 1HG GLN 63 1HG GLN 63 -0.318 -0.177 -22.074
832 2HG GLN 63 2HG GLN 63 -0.721 0.788 -20.653
833 1HE2 GLN 63 1HE2 GLN 63 -0.722 -2.387 -21.754
834 2HE2 GLN 63 2HE2 GLN 63 -1.299 -3.108 -20.288
835 H HIS 64 H HIS 64 -4.034 3.280 -22.909
836 HA HIS 64 HA HIS 64 -5.944 3.593 -24.156
837 1HB HIS 64 1HB HIS 64 -4.131 4.927 -25.065
838 2HB HIS 64 2HB HIS 64 -3.877 3.577 -26.235
839 HD1 HIS 64 HD1 HIS 64 -7.529 4.517 -25.524
840 HD2 HIS 64 HD2 HIS 64 -4.541 5.504 -28.306
841 HE1 HIS 64 HE1 HIS 64 -8.713 5.635 -27.408
842 H LYS 65 H LYS 65 -5.905 1.027 -23.526
843 HA LYS 65 HA LYS 65 -6.687 -0.653 -25.933
844 1HB LYS 65 1HB LYS 65 -6.526 -2.544 -24.635
845 2HB LYS 65 2HB LYS 65 -5.041 -1.615 -24.744
846 1HG LYS 65 1HG LYS 65 -5.353 -0.828 -22.260
847 2HG LYS 65 2HG LYS 65 -6.844 -1.895 -22.260
848 1HD LYS 65 1HD LYS 65 -5.382 -3.753 -22.862
849 2HD LYS 65 2HD LYS 65 -3.968 -2.675 -22.754
850 1HE LYS 65 1HE LYS 65 -3.850 -3.788 -20.714
851 2HE LYS 65 2HE LYS 65 -4.462 -2.254 -20.293
852 1HZ LYS 65 1HZ LYS 65 -5.864 -4.821 -20.790
853 2HZ LYS 65 2HZ LYS 65 -6.700 -3.440 -20.683
854 3HZ LYS 65 3HZ LYS 65 -5.831 -3.935 -19.346
855 H ASP 66 H ASP 66 -8.211 1.539 -24.894
856 HA ASP 66 HA ASP 66 -10.625 0.391 -23.663
857 1HB ASP 66 1HB ASP 66 -11.460 2.763 -23.639
858 2HB ASP 66 2HB ASP 66 -10.081 2.379 -22.582
859 H GLN 67 H GLN 67 -12.686 0.979 -24.615
860 HA GLN 67 HA GLN 67 -12.868 2.089 -27.384
861 1HB GLN 67 1HB GLN 67 -12.806 -0.323 -27.786
862 2HB GLN 67 2HB GLN 67 -13.987 -0.574 -26.404
863 1HG GLN 67 1HG GLN 67 -14.937 0.939 -28.847
864 2HG GLN 67 2HG GLN 67 -14.680 -0.744 -29.118
865 1HE2 GLN 67 2HE2 GLN 67 -17.164 1.105 -28.281
866 2HE2 GLN 67 1HE2 GLN 67 -17.993 0.036 -27.144
867 H SER 68 H SER 68 -14.730 3.244 -27.656
868 HA SER 68 HA SER 68 -17.319 2.836 -26.189
869 1HB SER 68 1HB SER 68 -16.242 5.780 -26.350
870 2HB SER 68 2HB SER 68 -17.645 5.079 -25.590
871 HG SER 68 HG SER 68 -14.949 4.438 -24.970
Start of MODEL 6
1 1H5* G 69 1H5* G 69 7.625 -22.670 -12.442
2 2H5* G 69 2H5* G 69 8.979 -21.552 -12.388
3 H4* G 69 H4* G 69 7.475 -21.127 -14.323
4 H3* G 69 H3* G 69 8.735 -19.123 -12.669
5 H1* G 69 H1* G 69 4.847 -18.976 -13.513
6 H8 G 69 H8 G 69 6.046 -19.964 -10.011
7 H1 G 69 H1 G 69 -0.157 -21.181 -11.160
8 1H2 G 69 1H2 G 69 0.673 -20.162 -14.356
9 2H2 G 69 2H2 G 69 -0.598 -20.816 -13.336
10 H5T G 69 H5T G 69 8.409 -20.820 -10.586
11 1H2* G 69 1H2* G 69 6.904 -18.507 -11.396
12 2H2* G 69 2H2* G 69 6.442 -17.607 -12.786
13 1H5* C 70 1H5* C 70 6.144 -18.573 -16.400
14 2H5* C 70 2H5* C 70 6.448 -17.204 -17.397
15 H4* C 70 H4* C 70 4.022 -17.658 -17.512
16 H3* C 70 H3* C 70 5.115 -15.049 -17.242
17 H1* C 70 H1* C 70 1.894 -16.629 -15.664
18 1H4 C 70 1H4 C 70 2.742 -17.133 -9.047
19 2H4 C 70 2H4 C 70 1.049 -16.883 -9.558
20 H5 C 70 H5 C 70 4.511 -16.825 -10.755
21 H6 C 70 H6 C 70 4.750 -16.440 -13.213
22 1H2* C 70 1H2* C 70 4.224 -14.797 -14.843
23 2H2* C 70 2H2* C 70 2.716 -14.482 -15.744
24 1H5* T 71 1H5* T 71 0.398 -15.133 -18.108
25 2H5* T 71 2H5* T 71 -0.269 -13.715 -18.859
26 H4* T 71 H4* T 71 -1.501 -14.066 -16.891
27 H3* T 71 H3* T 71 0.254 -11.580 -16.993
28 1H2* T 71 1H2* T 71 0.086 -11.423 -14.700
29 2H2* T 71 2H2* T 71 -1.672 -11.812 -14.665
30 H1* T 71 H1* T 71 -1.616 -13.773 -14.344
31 H3 T 71 H3 T 71 -0.227 -14.314 -10.161
32 1H5M T 71 1H5M T 71 3.940 -12.141 -11.954
33 2H5M T 71 2H5M T 71 4.307 -13.852 -11.583
34 3H5M T 71 3H5M T 71 4.149 -13.363 -13.205
35 H6 T 71 H6 T 71 2.007 -13.206 -14.238
36 1H5* C 72 1H5* C 72 -4.134 -11.207 -15.739
37 2H5* C 72 2H5* C 72 -4.650 -9.684 -16.321
38 H4* C 72 H4* C 72 -5.554 -10.179 -14.214
39 H3* C 72 H3* C 72 -4.545 -7.783 -14.858
40 H1* C 72 H1* C 72 -3.964 -9.312 -11.431
41 1H4 C 72 1H4 C 72 2.512 -10.068 -11.192
42 2H4 C 72 2H4 C 72 1.823 -10.596 -9.643
43 H5 C 72 H5 C 72 1.221 -9.764 -13.116
44 H6 C 72 H6 C 72 -1.008 -9.309 -13.860
45 1H2* C 72 1H2* C 72 -2.628 -7.762 -13.644
46 2H2* C 72 2H2* C 72 -3.768 -7.276 -12.327
47 1H5* T 73 1H5* T 73 -5.567 -7.625 -10.756
48 2H5* T 73 2H5* T 73 -6.783 -6.362 -10.175
49 H4* T 73 H4* T 73 -5.275 -6.184 -8.602
50 H3* T 73 H3* T 73 -5.610 -4.024 -10.304
51 1H2* T 73 1H2* T 73 -3.655 -4.532 -11.617
52 2H2* T 73 2H2* T 73 -2.899 -3.408 -10.479
53 H1* T 73 H1* T 73 -2.545 -5.186 -8.803
54 H3 T 73 H3 T 73 1.391 -7.365 -9.205
55 1H5M T 73 1H5M T 73 -0.408 -5.482 -13.984
56 2H5M T 73 2H5M T 73 1.347 -5.186 -13.670
57 3H5M T 73 3H5M T 73 0.721 -6.798 -14.117
58 H6 T 73 H6 T 73 -1.604 -5.254 -12.328
59 1H5* A 74 1H5* A 74 -4.867 -6.002 -6.515
60 2H5* A 74 2H5* A 74 -6.372 -5.685 -5.677
61 H4* A 74 H4* A 74 -5.046 -6.776 -4.262
62 H3* A 74 H3* A 74 -5.588 -4.375 -3.154
63 H1* A 74 H1* A 74 -1.738 -5.256 -3.413
64 H8 A 74 H8 A 74 -2.923 -3.098 -6.505
65 1H6 A 74 1H6 A 74 2.973 -4.412 -8.347
66 2H6 A 74 2H6 A 74 1.656 -3.370 -8.822
67 H2 A 74 H2 A 74 2.414 -6.296 -4.688
68 1H2* A 74 1H2* A 74 -3.741 -3.231 -4.423
69 2H2* A 74 2H2* A 74 -3.073 -3.341 -2.789
70 1H5* A 75 1H5* A 75 -1.236 -6.644 -0.976
71 2H5* A 75 2H5* A 75 -1.606 -5.914 0.668
72 H4* A 75 H4* A 75 0.643 -5.949 -0.105
73 H3* A 75 H3* A 75 -0.696 -3.593 1.100
74 H1* A 75 H1* A 75 2.386 -3.767 -1.210
75 H8 A 75 H8 A 75 -0.764 -2.035 -2.862
76 1H6 A 75 1H6 A 75 3.024 -1.357 -7.697
77 2H6 A 75 2H6 A 75 1.417 -0.909 -7.085
78 H2 A 75 H2 A 75 5.115 -3.696 -4.835
79 1H2* A 75 1H2* A 75 0.040 -2.135 -0.481
80 2H2* A 75 2H2* A 75 1.663 -2.342 0.260
81 1H5* T 76 1H5* T 76 3.930 -4.735 1.406
82 2H5* T 76 2H5* T 76 4.610 -4.256 2.952
83 H4* T 76 H4* T 76 6.092 -3.806 1.097
84 H3* T 76 H3* T 76 4.989 -1.556 2.652
85 1H2* T 76 1H2* T 76 5.306 0.089 1.035
86 2H2* T 76 2H2* T 76 6.893 -0.499 0.565
87 H1* T 76 H1* T 76 6.427 -1.852 -0.975
88 H3 T 76 H3 T 76 4.716 0.663 -4.341
89 1H5M T 76 1H5M T 76 0.924 0.381 -0.527
90 2H5M T 76 2H5M T 76 1.519 2.015 -1.002
91 3H5M T 76 3H5M T 76 0.606 0.972 -2.179
92 H6 T 76 H6 T 76 3.225 -0.378 0.145
93 1H5* C 77 1H5* C 77 9.029 -1.462 1.169
94 2H5* C 77 2H5* C 77 10.157 -1.441 2.581
95 H4* C 77 H4* C 77 11.396 -0.492 0.649
96 H3* C 77 H3* C 77 10.801 1.130 2.930
97 H1* C 77 H1* C 77 10.536 2.311 -0.685
98 1H4 C 77 1H4 C 77 4.192 3.770 -2.033
99 2H4 C 77 2H4 C 77 5.129 3.777 -3.459
100 H5 C 77 H5 C 77 5.220 2.879 0.115
101 H6 C 77 H6 C 77 7.384 2.155 1.037
102 1H2* C 77 1H2* C 77 9.076 2.150 2.004
103 2H2* C 77 2H2* C 77 10.220 3.402 1.481
104 1H5* C 78 1H5* C 78 13.309 2.809 -0.819
105 2H5* C 78 2H5* C 78 14.728 3.281 -0.075
106 H4* C 78 H4* C 78 14.416 4.623 -2.201
107 H3* C 78 H3* C 78 14.623 5.857 0.212
108 H1* C 78 H1* C 78 11.951 6.857 -2.597
109 1H4 C 78 1H4 C 78 6.742 5.374 1.062
110 2H4 C 78 2H4 C 78 6.255 5.865 -0.653
111 H5 C 78 H5 C 78 9.099 5.450 1.762
112 H6 C 78 H6 C 78 11.239 5.858 0.918
113 1H2* C 78 1H2* C 78 12.823 7.229 0.315
114 2H2* C 78 2H2* C 78 13.320 8.050 -1.088
115 1H5* C 79 1H5* C 79 14.906 7.646 -3.870
116 2H5* C 79 2H5* C 79 15.833 9.169 -4.342
117 H4* C 79 H4* C 79 13.702 9.434 -5.291
118 H3* C 79 H3* C 79 14.892 11.264 -3.598
119 H1* C 79 H1* C 79 11.302 10.748 -4.016
120 1H4 C 79 1H4 C 79 7.613 8.938 1.127
121 2H4 C 79 2H4 C 79 6.636 9.309 -0.339
122 H5 C 79 H5 C 79 10.102 9.142 0.992
123 H6 C 79 H6 C 79 11.896 9.561 -0.622
124 1H2* C 79 1H2* C 79 13.395 10.813 -1.764
125 2H2* C 79 2H2* C 79 12.582 12.169 -2.476
126 1H5* C 80 1H5* C 80 11.492 12.119 -6.635
127 2H5* C 80 2H5* C 80 11.960 13.502 -7.459
128 H4* C 80 H4* C 80 9.541 13.263 -7.407
129 H3* C 80 H3* C 80 10.851 15.590 -7.073
130 H1* C 80 H1* C 80 7.767 14.777 -4.858
131 1H4 C 80 1H4 C 80 9.638 12.369 1.021
132 2H4 C 80 2H4 C 80 7.839 12.419 0.773
133 H5 C 80 H5 C 80 11.045 13.310 -0.770
134 H6 C 80 H6 C 80 10.969 14.221 -3.202
135 1H2* C 80 1H2* C 80 10.723 15.565 -4.712
136 2H2* C 80 2H2* C 80 9.384 16.567 -5.003
137 1H5* G 81 1H5* G 81 5.757 17.223 -6.683
138 2H5* G 81 2H5* G 81 6.131 18.881 -7.340
139 H4* G 81 H4* G 81 4.943 19.324 -5.399
140 H3* G 81 H3* G 81 7.627 20.246 -5.890
141 H1* G 81 H1* G 81 6.292 19.422 -2.542
142 H8 G 81 H8 G 81 9.365 17.580 -2.524
143 H1 G 81 H1 G 81 5.099 15.757 1.889
144 1H2 G 81 1H2 G 81 2.784 17.378 -0.076
145 2H2 G 81 2H2 G 81 3.006 16.360 1.320
146 H3T G 81 H3T G 81 6.872 21.900 -4.572
147 1H2* G 81 1H2* G 81 8.654 18.776 -4.436
148 2H2* G 81 2H2* G 81 8.398 20.150 -3.307
149 1H5* C 82 1H5* C 82 2.153 15.139 8.410
150 2H5* C 82 2H5* C 82 0.609 14.471 9.037
151 H4* C 82 H4* C 82 0.014 15.791 7.233
152 H3* C 82 H3* C 82 -0.677 13.157 7.160
153 H1* C 82 H1* C 82 1.056 14.776 4.140
154 1H4 C 82 1H4 C 82 7.395 13.295 4.487
155 2H4 C 82 2H4 C 82 7.140 14.519 3.207
156 H5 C 82 H5 C 82 5.496 12.225 5.711
157 H6 C 82 H6 C 82 3.137 12.504 6.104
158 H5T C 82 H5T C 82 2.225 12.782 8.900
159 1H2* C 82 1H2* C 82 1.083 12.299 5.946
160 2H2* C 82 2H2* C 82 -0.038 12.673 4.566
161 1H5* G 83 1H5* G 83 -2.267 15.059 2.924
162 2H5* G 83 2H5* G 83 -3.678 14.173 2.467
163 H4* G 83 H4* G 83 -1.999 14.201 0.640
164 H3* G 83 H3* G 83 -3.124 11.825 1.314
165 H1* G 83 H1* G 83 -0.024 12.324 0.019
166 H8 G 83 H8 G 83 1.180 10.781 3.058
167 H1 G 83 H1 G 83 5.856 13.135 -0.589
168 1H2 G 83 1H2 G 83 3.293 14.393 -2.433
169 2H2 G 83 2H2 G 83 5.037 14.209 -2.185
170 1H2* G 83 1H2* G 83 -0.951 11.131 2.501
171 2H2* G 83 2H2* G 83 -0.816 10.446 0.823
172 1H5* G 84 1H5* G 84 -2.165 13.470 -3.063
173 2H5* G 84 2H5* G 84 -3.298 12.660 -4.072
174 H4* G 84 H4* G 84 -1.359 13.600 -5.212
175 H3* G 84 H3* G 84 -2.136 10.990 -5.766
176 H1* G 84 H1* G 84 1.555 11.871 -5.242
177 H8 G 84 H8 G 84 -0.122 10.148 -2.288
178 H1 G 84 H1 G 84 6.368 10.355 -1.950
179 1H2 G 84 1H2 G 84 6.040 11.569 -5.269
180 2H2 G 84 2H2 G 84 7.162 11.031 -4.005
181 1H2* G 84 1H2* G 84 -0.694 9.906 -4.524
182 2H2* G 84 2H2* G 84 0.434 9.873 -5.872
183 1H5* G 85 1H5* G 85 1.855 11.732 -8.188
184 2H5* G 85 2H5* G 85 1.545 11.312 -9.852
185 H4* G 85 H4* G 85 3.594 10.088 -9.294
186 H3* G 85 H3* G 85 1.099 8.559 -9.698
187 H1* G 85 H1* G 85 4.076 7.891 -7.473
188 H8 G 85 H8 G 85 1.136 7.603 -5.227
189 H1 G 85 H1 G 85 7.002 6.855 -2.710
190 1H2 G 85 1H2 G 85 7.917 8.148 -5.668
191 2H2 G 85 2H2 G 85 8.452 7.105 -4.262
192 1H2* G 85 1H2* G 85 1.054 7.946 -7.505
193 2H2* G 85 2H2* G 85 2.086 6.597 -8.045
194 1H5* G 86 1H5* G 86 5.874 9.307 -10.623
195 2H5* G 86 2H5* G 86 6.230 9.244 -12.345
196 H4* G 86 H4* G 86 8.245 8.587 -11.276
197 H3* G 86 H3* G 86 7.238 6.850 -13.092
198 H1* G 86 H1* G 86 8.307 5.527 -9.834
199 H8 G 86 H8 G 86 4.580 5.916 -9.926
200 H1 G 86 H1 G 86 6.773 4.199 -4.170
201 1H2 G 86 1H2 G 86 9.873 4.003 -5.782
202 2H2 G 86 2H2 G 86 8.810 3.588 -4.466
203 1H2* G 86 1H2* G 86 5.885 5.598 -11.694
204 2H2* G 86 2H2* G 86 7.320 4.589 -11.716
205 1H5* A 87 1H5* A 87 10.765 4.690 -10.884
206 2H5* A 87 2H5* A 87 11.714 3.703 -11.995
207 H4* A 87 H4* A 87 11.250 2.375 -10.129
208 H3* A 87 H3* A 87 10.326 1.530 -12.490
209 H1* A 87 H1* A 87 9.112 1.146 -9.165
210 H8 A 87 H8 A 87 6.033 2.749 -10.924
211 1H6 A 87 1H6 A 87 3.401 1.520 -5.463
212 2H6 A 87 2H6 A 87 3.071 2.272 -7.025
213 H2 A 87 H2 A 87 7.605 1.044 -5.089
214 1H2* A 87 1H2* A 87 7.959 2.074 -11.861
215 2H2* A 87 2H2* A 87 8.124 0.296 -11.446
216 1H5* T 88 1H5* T 88 12.234 0.108 -8.683
217 2H5* T 88 2H5* T 88 13.535 -1.068 -8.906
218 H4* T 88 H4* T 88 12.325 -1.696 -6.779
219 H3* T 88 H3* T 88 12.685 -3.517 -8.835
220 1H2* T 88 1H2* T 88 10.354 -3.865 -9.428
221 2H2* T 88 2H2* T 88 10.334 -4.794 -7.898
222 H1* T 88 H1* T 88 9.527 -3.165 -6.587
223 H3 T 88 H3 T 88 5.264 -1.889 -6.856
224 1H5M T 88 1H5M T 88 6.108 -0.825 -11.561
225 2H5M T 88 2H5M T 88 7.305 -2.177 -11.792
226 3H5M T 88 3H5M T 88 5.589 -2.500 -11.516
227 H6 T 88 H6 T 88 8.839 -2.204 -10.096
228 1H5* T 89 1H5* T 89 10.899 -4.154 -4.830
229 2H5* T 89 2H5* T 89 11.917 -5.231 -3.917
230 H4* T 89 H4* T 89 9.796 -5.205 -2.886
231 H3* T 89 H3* T 89 10.669 -7.704 -3.869
232 1H2* T 89 1H2* T 89 9.219 -7.580 -5.769
233 2H2* T 89 2H2* T 89 8.281 -8.593 -4.690
234 H1* T 89 H1* T 89 7.117 -6.581 -3.785
235 H3 T 89 H3 T 89 3.957 -5.383 -6.798
236 1H5M T 89 1H5M T 89 7.042 -6.327 -10.335
237 2H5M T 89 2H5M T 89 7.502 -4.663 -10.187
238 3H5M T 89 3H5M T 89 8.505 -6.024 -9.678
239 H6 T 89 H6 T 89 8.603 -6.214 -7.279
240 1H5* A 90 1H5* A 90 6.056 -7.315 -1.745
241 2H5* A 90 2H5* A 90 6.367 -8.306 -0.258
242 H4* A 90 H4* A 90 4.033 -8.281 -0.899
243 H3* A 90 H3* A 90 5.542 -10.714 -0.651
244 H1* A 90 H1* A 90 3.237 -10.210 -3.622
245 H8 A 90 H8 A 90 6.690 -10.259 -5.175
246 1H6 A 90 1H6 A 90 3.511 -7.929 -10.064
247 2H6 A 90 2H6 A 90 5.086 -8.675 -9.731
248 H2 A 90 H2 A 90 0.818 -8.192 -6.727
249 1H2* A 90 1H2* A 90 6.169 -10.748 -3.037
250 2H2* A 90 2H2* A 90 4.885 -11.973 -3.039
251 1H5* G 91 1H5* G 91 1.076 -11.684 0.187
252 2H5* G 91 2H5* G 91 0.798 -13.020 1.251
253 H4* G 91 H4* G 91 -1.017 -12.919 -0.559
254 H3* G 91 H3* G 91 0.198 -15.225 0.024
255 H1* G 91 H1* G 91 -0.558 -13.979 -3.642
256 H8 G 91 H8 G 91 3.232 -13.694 -3.346
257 H1 G 91 H1 G 91 0.259 -11.110 -8.360
258 1H2 G 91 1H2 G 91 -2.471 -11.957 -6.464
259 2H2 G 91 2H2 G 91 -1.813 -11.364 -8.028
260 1H2* G 91 1H2* G 91 1.649 -15.086 -1.853
261 2H2* G 91 2H2* G 91 0.227 -15.970 -2.653
262 1H5* A 92 1H5* A 92 -4.368 -14.442 -1.029
263 2H5* A 92 2H5* A 92 -5.351 -15.878 -0.778
264 H4* A 92 H4* A 92 -6.234 -14.374 -2.672
265 H3* A 92 H3* A 92 -6.467 -17.036 -2.433
266 H1* A 92 H1* A 92 -5.140 -15.638 -5.599
267 H8 A 92 H8 A 92 -2.282 -17.356 -3.732
268 1H6 A 92 1H6 A 92 1.376 -15.156 -8.252
269 2H6 A 92 2H6 A 92 1.298 -15.917 -6.637
270 H2 A 92 H2 A 92 -2.727 -13.738 -9.081
271 1H2* A 92 1H2* A 92 -4.514 -17.577 -3.397
272 2H2* A 92 2H2* A 92 -5.604 -17.682 -4.843
273 1H5* G 93 1H5* G 93 -8.107 -15.318 -6.626
274 2H5* G 93 2H5* G 93 -9.654 -16.234 -6.990
275 H4* G 93 H4* G 93 -8.347 -16.122 -8.891
276 H3* G 93 H3* G 93 -8.993 -18.707 -7.634
277 H1* G 93 H1* G 93 -6.222 -17.703 -9.924
278 H8 G 93 H8 G 93 -5.031 -18.982 -6.681
279 H1 G 93 H1 G 93 -0.332 -18.056 -10.920
280 1H2 G 93 1H2 G 93 -2.414 -15.966 -12.496
281 2H2 G 93 2H2 G 93 -0.929 -16.919 -12.460
282 1H2* G 93 1H2* G 93 -6.965 -19.208 -7.333
283 2H2* G 93 2H2* G 93 -7.053 -19.820 -9.064
284 1H5* C 94 1H5* C 94 -7.851 -18.266 -12.378
285 2H5* C 94 2H5* C 94 -9.159 -19.241 -13.035
286 H4* C 94 H4* C 94 -7.209 -19.711 -14.279
287 H3* C 94 H3* C 94 -8.339 -21.919 -12.689
288 H1* C 94 H1* C 94 -4.617 -21.356 -13.697
289 1H4 C 94 1H4 C 94 -2.043 -22.123 -7.735
290 2H4 C 94 2H4 C 94 -0.667 -21.775 -8.751
291 H5 C 94 H5 C 94 -4.328 -21.537 -8.282
292 H6 C 94 H6 C 94 -5.792 -21.255 -10.215
293 H3T C 94 H3T C 94 -8.616 -22.128 -14.744
294 1H2* C 94 1H2* C 94 -6.353 -22.742 -11.762
295 2H2* C 94 2H2* C 94 -6.025 -23.200 -13.460
296 1H GLY 1 1H GLY 1 -0.519 -5.790 5.861
297 2H GLY 1 2H GLY 1 -1.718 -4.730 5.753
298 3H GLY 1 3H GLY 1 -0.198 -4.203 5.414
299 1HA GLY 1 1HA GLY 1 -1.290 -4.623 3.264
300 2HA GLY 1 2HA GLY 1 -0.039 -5.803 3.530
301 HA PRO 2 HA PRO 2 -4.405 -7.682 4.632
302 1HB PRO 2 1HB PRO 2 -5.539 -7.039 1.862
303 2HB PRO 2 2HB PRO 2 -6.517 -7.317 3.393
304 1HG PRO 2 1HG PRO 2 -5.732 -4.895 2.266
305 2HG PRO 2 2HG PRO 2 -6.023 -5.257 4.010
306 1HD PRO 2 1HD PRO 2 -3.483 -4.619 2.535
307 2HD PRO 2 2HD PRO 2 -3.812 -4.562 4.269
308 H ARG 3 H ARG 3 -3.127 -7.887 1.327
309 HA ARG 3 HA ARG 3 -3.359 -10.612 0.740
310 1HB ARG 3 1HB ARG 3 -1.259 -8.603 -0.021
311 2HB ARG 3 2HB ARG 3 -1.015 -10.282 -0.193
312 1HG ARG 3 1HG ARG 3 -3.416 -10.289 -1.394
313 2HG ARG 3 2HG ARG 3 -3.109 -8.603 -1.619
314 1HD ARG 3 1HD ARG 3 -1.129 -10.802 -2.151
315 2HD ARG 3 2HD ARG 3 -2.384 -10.353 -3.310
316 HE ARG 3 HE ARG 3 -1.034 -8.411 -3.749
317 1HH1 ARG 3 2HH1 ARG 3 0.634 -10.608 -1.779
318 2HH1 ARG 3 1HH1 ARG 3 2.171 -9.735 -1.730
319 1HH2 ARG 3 2HH2 ARG 3 0.666 -7.120 -3.472
320 2HH2 ARG 3 1HH2 ARG 3 2.168 -7.639 -2.781
321 H ARG 4 H ARG 4 -1.155 -9.270 2.956
322 HA ARG 4 HA ARG 4 0.428 -11.743 2.909
323 1HB ARG 4 1HB ARG 4 1.391 -9.210 4.238
324 2HB ARG 4 2HB ARG 4 2.391 -10.586 3.577
325 1HG ARG 4 1HG ARG 4 1.736 -9.944 1.260
326 2HG ARG 4 2HG ARG 4 0.773 -8.704 1.822
327 1HD ARG 4 1HD ARG 4 3.789 -8.951 1.913
328 2HD ARG 4 2HD ARG 4 2.891 -7.791 0.929
329 HE ARG 4 HE ARG 4 2.697 -6.321 2.838
330 1HH1 ARG 4 2HH1 ARG 4 4.154 -9.382 4.057
331 2HH1 ARG 4 1HH1 ARG 4 3.979 -8.751 5.655
332 1HH2 ARG 4 2HH2 ARG 4 3.231 -5.612 4.782
333 2HH2 ARG 4 1HH2 ARG 4 4.089 -6.608 5.970
334 H THR 5 H THR 5 -1.396 -9.812 5.111
335 HA THR 5 HA THR 5 -1.121 -11.685 7.344
336 HB THR 5 HB THR 5 0.847 -10.242 7.341
337 HG1 THR 5 HG1 THR 5 0.874 -10.003 9.436
338 1HG2 THR 5 1HG2 THR 5 -0.640 -7.912 8.353
339 2HG2 THR 5 2HG2 THR 5 -0.466 -8.257 6.571
340 3HG2 THR 5 3HG2 THR 5 0.960 -8.230 7.628
341 H ARG 6 H ARG 6 -2.230 -10.094 9.432
342 HA ARG 6 HA ARG 6 -4.825 -10.307 9.157
343 1HB ARG 6 1HB ARG 6 -5.062 -9.035 11.117
344 2HB ARG 6 2HB ARG 6 -3.609 -10.045 11.045
345 1HG ARG 6 1HG ARG 6 -2.075 -8.186 10.923
346 2HG ARG 6 2HG ARG 6 -3.395 -7.137 10.415
347 1HD ARG 6 1HD ARG 6 -2.819 -6.584 12.652
348 2HD ARG 6 2HD ARG 6 -4.341 -7.535 12.922
349 HE ARG 6 HE ARG 6 -3.084 -9.042 14.104
350 1HH1 ARG 6 2HH1 ARG 6 -0.605 -7.026 12.407
351 2HH1 ARG 6 1HH1 ARG 6 0.586 -7.858 13.437
352 1HH2 ARG 6 2HH2 ARG 6 -1.363 -10.119 14.793
353 2HH2 ARG 6 1HH2 ARG 6 0.219 -9.405 14.631
354 H THR 7 H THR 7 -6.686 -9.041 8.734
355 HA THR 7 HA THR 7 -8.035 -7.381 7.927
356 HB THR 7 HB THR 7 -5.719 -6.481 6.264
357 HG1 THR 7 HG1 THR 7 -5.474 -5.829 8.445
358 1HG2 THR 7 1HG2 THR 7 -7.174 -4.484 5.869
359 2HG2 THR 7 2HG2 THR 7 -8.547 -5.315 6.786
360 3HG2 THR 7 3HG2 THR 7 -7.890 -5.822 5.153
361 H THR 8 H THR 8 -9.505 -7.816 6.123
362 HA THR 8 HA THR 8 -8.320 -8.741 3.551
363 HB THR 8 HB THR 8 -10.420 -10.165 5.320
364 HG1 THR 8 HG1 THR 8 -8.511 -11.075 5.778
365 1HG2 THR 8 1HG2 THR 8 -10.774 -11.801 3.494
366 2HG2 THR 8 2HG2 THR 8 -9.713 -10.740 2.555
367 3HG2 THR 8 3HG2 THR 8 -11.267 -10.190 3.069
368 H PHE 9 H PHE 9 -9.149 -7.006 2.234
369 HA PHE 9 HA PHE 9 -11.457 -5.563 3.072
370 1HB PHE 9 1HB PHE 9 -10.314 -5.890 0.323
371 2HB PHE 9 2HB PHE 9 -11.678 -4.845 0.803
372 HD1 PHE 9 HD1 PHE 9 -8.618 -5.001 2.783
373 HD2 PHE 9 HD2 PHE 9 -10.725 -2.950 -0.224
374 HE1 PHE 9 HE1 PHE 9 -7.045 -3.195 3.079
375 HE2 PHE 9 HE2 PHE 9 -9.227 -0.968 0.028
376 HZ PHE 9 HZ PHE 9 -7.369 -1.041 1.493
377 H THR 10 H THR 10 -13.623 -5.472 2.471
378 HA THR 10 HA THR 10 -14.684 -7.821 0.855
379 HB THR 10 HB THR 10 -16.591 -7.523 1.863
380 HG1 THR 10 HG1 THR 10 -16.736 -6.125 3.844
381 1HG2 THR 10 1HG2 THR 10 -16.221 -8.568 4.013
382 2HG2 THR 10 2HG2 THR 10 -14.764 -7.671 4.356
383 3HG2 THR 10 3HG2 THR 10 -14.678 -8.912 3.062
384 H SER 11 H SER 11 -16.580 -7.274 -0.596
385 HA SER 11 HA SER 11 -16.580 -4.919 -1.985
386 1HB SER 11 1HB SER 11 -19.022 -6.590 -1.371
387 2HB SER 11 2HB SER 11 -18.887 -5.491 -2.668
388 HG SER 11 HG SER 11 -17.391 -6.683 -3.715
389 H SER 12 H SER 12 -18.608 -5.453 0.967
390 HA SER 12 HA SER 12 -19.740 -2.874 1.202
391 1HB SER 12 1HB SER 12 -19.961 -4.926 2.721
392 2HB SER 12 2HB SER 12 -18.397 -4.424 3.431
393 HG SER 12 HG SER 12 -19.748 -3.307 4.598
394 H GLN 13 H GLN 13 -16.425 -3.804 2.174
395 HA GLN 13 HA GLN 13 -15.758 -1.172 3.262
396 1HB GLN 13 1HB GLN 13 -13.922 -3.305 2.299
397 2HB GLN 13 2HB GLN 13 -13.543 -1.889 3.189
398 1HG GLN 13 1HG GLN 13 -14.996 -2.363 4.929
399 2HG GLN 13 2HG GLN 13 -15.395 -4.015 4.351
400 1HE2 GLN 13 1HE2 GLN 13 -13.400 -2.370 6.281
401 2HE2 GLN 13 2HE2 GLN 13 -12.296 -3.784 6.511
402 H ILE 14 H ILE 14 -15.159 -2.781 -0.025
403 HA ILE 14 HA ILE 14 -14.033 -0.466 -0.960
404 HB ILE 14 HB ILE 14 -15.364 -2.599 -2.431
405 1HG1 ILE 14 1HG1 ILE 14 -12.426 -1.784 -2.092
406 2HG1 ILE 14 2HG1 ILE 14 -13.234 -2.828 -0.965
407 1HG2 ILE 14 1HG2 ILE 14 -15.426 -0.764 -3.978
408 2HG2 ILE 14 2HG2 ILE 14 -13.838 -0.291 -3.574
409 3HG2 ILE 14 3HG2 ILE 14 -14.143 -1.870 -4.521
410 1HD1 ILE 14 1HD1 ILE 14 -12.321 -4.364 -2.401
411 2HD1 ILE 14 2HD1 ILE 14 -14.015 -4.291 -2.963
412 3HD1 ILE 14 3HD1 ILE 14 -12.884 -3.390 -3.913
413 H ALA 15 H ALA 15 -17.332 -1.419 -0.751
414 HA ALA 15 HA ALA 15 -18.635 0.689 -2.269
415 1HB ALA 15 1HB ALA 15 -20.788 -0.008 -1.147
416 2HB ALA 15 2HB ALA 15 -19.806 -1.464 -1.307
417 3HB ALA 15 3HB ALA 15 -19.780 -0.736 0.215
418 H GLU 16 H GLU 16 -17.682 0.598 1.152
419 HA GLU 16 HA GLU 16 -18.639 3.297 1.883
420 1HB GLU 16 1HB GLU 16 -16.457 1.416 2.713
421 2HB GLU 16 2HB GLU 16 -16.634 2.979 3.621
422 1HG GLU 16 1HG GLU 16 -18.061 0.416 3.717
423 2HG GLU 16 2HG GLU 16 -17.122 1.315 5.012
424 H LEU 17 H LEU 17 -15.542 1.925 0.823
425 HA LEU 17 HA LEU 17 -14.268 4.359 0.867
426 1HB LEU 17 1HB LEU 17 -13.798 1.900 -0.630
427 2HB LEU 17 2HB LEU 17 -12.695 3.225 -1.042
428 HG LEU 17 HG LEU 17 -13.240 2.480 1.725
429 1HD1 LEU 17 1HD1 LEU 17 -10.892 1.141 0.263
430 2HD1 LEU 17 2HD1 LEU 17 -12.364 0.344 1.095
431 3HD1 LEU 17 3HD1 LEU 17 -11.111 1.234 1.993
432 1HD2 LEU 17 1HD2 LEU 17 -10.784 3.317 2.139
433 2HD2 LEU 17 2HD2 LEU 17 -12.153 4.427 1.705
434 3HD2 LEU 17 3HD2 LEU 17 -10.945 4.056 0.464
435 H GLU 18 H GLU 18 -15.723 2.722 -2.000
436 HA GLU 18 HA GLU 18 -15.557 4.984 -3.863
437 1HB GLU 18 1HB GLU 18 -17.611 2.659 -3.643
438 2HB GLU 18 2HB GLU 18 -17.703 3.881 -4.856
439 1HG GLU 18 1HG GLU 18 -15.424 3.468 -5.681
440 2HG GLU 18 2HG GLU 18 -15.195 2.182 -4.525
441 H GLN 19 H GLN 19 -18.203 4.303 -1.588
442 HA GLN 19 HA GLN 19 -19.785 6.510 -2.688
443 1HB GLN 19 1HB GLN 19 -19.850 5.068 0.071
444 2HB GLN 19 2HB GLN 19 -21.017 6.340 -0.521
445 1HG GLN 19 1HG GLN 19 -20.611 3.749 -2.087
446 2HG GLN 19 2HG GLN 19 -21.802 4.021 -0.866
447 1HE2 GLN 19 1HE2 GLN 19 -21.177 4.147 -4.309
448 2HE2 GLN 19 2HE2 GLN 19 -22.497 5.166 -4.645
449 H HIS 20 H HIS 20 -17.559 6.510 0.127
450 HA HIS 20 HA HIS 20 -17.884 9.378 0.560
451 1HB HIS 20 1HB HIS 20 -16.061 7.357 1.662
452 2HB HIS 20 2HB HIS 20 -16.201 9.074 2.233
453 HD1 HIS 20 HD1 HIS 20 -19.055 9.568 2.313
454 HD2 HIS 20 HD2 HIS 20 -17.555 5.775 3.125
455 HE1 HIS 20 HE1 HIS 20 -21.038 8.349 3.304
456 H PHE 21 H PHE 21 -15.674 7.346 -1.236
457 HA PHE 21 HA PHE 21 -14.131 9.541 -2.219
458 1HB PHE 21 1HB PHE 21 -13.295 7.455 -2.645
459 2HB PHE 21 2HB PHE 21 -14.744 6.799 -3.227
460 HD1 PHE 21 HD1 PHE 21 -15.795 7.375 -5.131
461 HD2 PHE 21 HD2 PHE 21 -11.683 7.999 -4.761
462 HE1 PHE 21 HE1 PHE 21 -15.793 7.947 -7.606
463 HE2 PHE 21 HE2 PHE 21 -11.505 8.160 -7.350
464 HZ PHE 21 HZ PHE 21 -13.537 8.120 -8.734
465 H LEU 22 H LEU 22 -17.289 8.693 -3.183
466 HA LEU 22 HA LEU 22 -17.367 10.205 -5.600
467 1HB LEU 22 1HB LEU 22 -19.585 10.137 -3.576
468 2HB LEU 22 2HB LEU 22 -19.715 10.633 -5.288
469 HG LEU 22 HG LEU 22 -19.061 7.807 -4.469
470 1HD1 LEU 22 1HD1 LEU 22 -21.613 9.065 -5.574
471 2HD1 LEU 22 2HD1 LEU 22 -21.369 8.263 -3.936
472 3HD1 LEU 22 3HD1 LEU 22 -21.402 7.320 -5.312
473 1HD2 LEU 22 1HD2 LEU 22 -18.097 8.318 -6.589
474 2HD2 LEU 22 2HD2 LEU 22 -19.427 9.242 -7.135
475 3HD2 LEU 22 3HD2 LEU 22 -19.605 7.457 -6.897
476 H GLN 23 H GLN 23 -17.040 11.116 -2.318
477 HA GLN 23 HA GLN 23 -17.665 14.018 -2.703
478 1HB GLN 23 1HB GLN 23 -16.797 12.516 -0.179
479 2HB GLN 23 2HB GLN 23 -17.446 14.096 -0.175
480 1HG GLN 23 1HG GLN 23 -18.677 11.340 -0.664
481 2HG GLN 23 2HG GLN 23 -19.082 12.652 0.509
482 1HE2 GLN 23 1HE2 GLN 23 -20.656 10.996 -1.562
483 2HE2 GLN 23 2HE2 GLN 23 -21.656 12.172 -2.439
484 H GLY 24 H GLY 24 -14.958 12.098 -2.873
485 1HA GLY 24 1HA GLY 24 -13.326 14.408 -3.540
486 2HA GLY 24 2HA GLY 24 -12.731 13.743 -2.102
487 H ARG 25 H ARG 25 -11.756 13.749 -5.002
488 HA ARG 25 HA ARG 25 -11.333 10.897 -5.682
489 1HB ARG 25 1HB ARG 25 -10.428 13.569 -6.763
490 2HB ARG 25 2HB ARG 25 -9.840 12.043 -7.361
491 1HG ARG 25 1HG ARG 25 -12.630 13.164 -7.494
492 2HG ARG 25 2HG ARG 25 -11.570 12.734 -8.932
493 1HD ARG 25 1HD ARG 25 -11.732 10.387 -7.979
494 2HD ARG 25 2HD ARG 25 -12.939 10.976 -7.008
495 HE ARG 25 HE ARG 25 -13.045 10.937 -10.081
496 1HH1 ARG 25 2HH1 ARG 25 -15.090 11.353 -7.170
497 2HH1 ARG 25 1HH1 ARG 25 -16.459 11.511 -8.156
498 1HH2 ARG 25 2HH2 ARG 25 -14.875 10.782 -11.124
499 2HH2 ARG 25 1HH2 ARG 25 -16.430 10.784 -10.275
500 H TYR 26 H TYR 26 -9.584 13.157 -3.752
501 HA TYR 26 HA TYR 26 -7.453 10.971 -3.246
502 1HB TYR 26 1HB TYR 26 -7.135 14.003 -2.880
503 2HB TYR 26 2HB TYR 26 -5.924 12.813 -2.986
504 HD1 TYR 26 HD1 TYR 26 -5.018 12.179 -5.226
505 HD2 TYR 26 HD2 TYR 26 -8.328 14.888 -4.978
506 HE1 TYR 26 HE1 TYR 26 -4.694 12.968 -7.536
507 HE2 TYR 26 HE2 TYR 26 -8.181 15.379 -7.303
508 HH TYR 26 HH TYR 26 -5.190 14.450 -8.984
509 H LEU 27 H LEU 27 -6.200 11.683 -1.226
510 HA LEU 27 HA LEU 27 -8.189 11.921 0.910
511 1HB LEU 27 1HB LEU 27 -5.659 10.287 0.552
512 2HB LEU 27 2HB LEU 27 -5.679 10.895 2.001
513 HG LEU 27 HG LEU 27 -7.372 8.791 0.704
514 1HD1 LEU 27 1HD1 LEU 27 -5.425 8.341 2.008
515 2HD1 LEU 27 2HD1 LEU 27 -6.803 7.730 2.862
516 3HD1 LEU 27 3HD1 LEU 27 -6.133 9.198 3.473
517 1HD2 LEU 27 1HD2 LEU 27 -8.954 8.714 2.814
518 2HD2 LEU 27 2HD2 LEU 27 -9.296 9.867 1.642
519 3HD2 LEU 27 3HD2 LEU 27 -8.400 10.398 3.127
520 H THR 28 H THR 28 -7.901 12.658 2.944
521 HA THR 28 HA THR 28 -5.476 14.075 3.700
522 HB THR 28 HB THR 28 -6.589 16.052 4.526
523 HG1 THR 28 HG1 THR 28 -8.639 16.364 4.320
524 1HG2 THR 28 1HG2 THR 28 -7.382 17.262 2.536
525 2HG2 THR 28 2HG2 THR 28 -7.300 15.827 1.532
526 3HG2 THR 28 3HG2 THR 28 -5.864 16.552 2.135
527 H ALA 29 H ALA 29 -5.498 14.392 6.126
528 HA ALA 29 HA ALA 29 -6.245 12.158 7.444
529 1HB ALA 29 1HB ALA 29 -6.171 13.250 9.490
530 2HB ALA 29 2HB ALA 29 -4.833 13.762 8.394
531 3HB ALA 29 3HB ALA 29 -6.175 14.864 8.675
532 HA PRO 30 HA PRO 30 -10.570 13.703 9.020
533 1HB PRO 30 1HB PRO 30 -11.804 15.514 7.221
534 2HB PRO 30 2HB PRO 30 -11.017 15.924 8.796
535 1HG PRO 30 1HG PRO 30 -9.831 16.456 6.063
536 2HG PRO 30 2HG PRO 30 -9.712 17.314 7.567
537 1HD PRO 30 1HD PRO 30 -7.806 15.626 6.653
538 2HD PRO 30 2HD PRO 30 -8.075 15.941 8.273
539 H ARG 31 H ARG 31 -9.926 13.725 5.490
540 HA ARG 31 HA ARG 31 -12.232 12.148 4.586
541 1HB ARG 31 1HB ARG 31 -9.498 12.614 3.491
542 2HB ARG 31 2HB ARG 31 -10.452 11.375 2.828
543 1HG ARG 31 1HG ARG 31 -10.608 13.296 1.534
544 2HG ARG 31 2HG ARG 31 -12.182 12.733 2.098
545 1HD ARG 31 1HD ARG 31 -12.642 14.776 3.056
546 2HD ARG 31 2HD ARG 31 -11.116 14.785 3.837
547 HE ARG 31 HE ARG 31 -10.370 15.358 1.166
548 1HH1 ARG 31 2HH1 ARG 31 -12.135 16.969 3.842
549 2HH1 ARG 31 1HH1 ARG 31 -11.687 18.517 3.176
550 1HH2 ARG 31 2HH2 ARG 31 -9.841 17.436 0.593
551 2HH2 ARG 31 1HH2 ARG 31 -10.636 18.714 1.549
552 H LEU 32 H LEU 32 -8.960 11.190 5.107
553 HA LEU 32 HA LEU 32 -8.962 8.418 4.989
554 1HB LEU 32 1HB LEU 32 -6.919 10.031 5.260
555 2HB LEU 32 2HB LEU 32 -7.271 9.978 6.994
556 HG LEU 32 HG LEU 32 -6.564 7.672 5.124
557 1HD1 LEU 32 1HD1 LEU 32 -4.542 7.510 6.384
558 2HD1 LEU 32 2HD1 LEU 32 -5.148 8.735 7.498
559 3HD1 LEU 32 3HD1 LEU 32 -4.818 9.251 5.828
560 1HD2 LEU 32 1HD2 LEU 32 -7.294 7.684 8.050
561 2HD2 LEU 32 2HD2 LEU 32 -6.430 6.337 7.172
562 3HD2 LEU 32 3HD2 LEU 32 -7.871 6.646 6.645
563 H ALA 33 H ALA 33 -9.469 10.346 8.087
564 HA ALA 33 HA ALA 33 -9.827 7.945 9.561
565 1HB ALA 33 1HB ALA 33 -8.739 10.098 10.289
566 2HB ALA 33 2HB ALA 33 -10.435 10.828 10.405
567 3HB ALA 33 3HB ALA 33 -9.869 9.491 11.437
568 H ASP 34 H ASP 34 -12.154 10.331 8.208
569 HA ASP 34 HA ASP 34 -14.453 9.254 9.477
570 1HB ASP 34 1HB ASP 34 -14.052 11.469 8.185
571 2HB ASP 34 2HB ASP 34 -14.371 10.633 6.657
572 H LEU 35 H LEU 35 -13.035 8.402 6.245
573 HA LEU 35 HA LEU 35 -14.991 6.375 6.091
574 1HB LEU 35 1HB LEU 35 -13.315 7.710 4.453
575 2HB LEU 35 2HB LEU 35 -12.221 6.355 4.649
576 HG LEU 35 HG LEU 35 -13.237 5.068 3.295
577 1HD1 LEU 35 1HD1 LEU 35 -15.370 4.809 4.491
578 2HD1 LEU 35 2HD1 LEU 35 -15.703 5.164 2.839
579 3HD1 LEU 35 3HD1 LEU 35 -15.701 6.590 3.996
580 1HD2 LEU 35 1HD2 LEU 35 -12.537 6.710 2.045
581 2HD2 LEU 35 2HD2 LEU 35 -13.960 7.768 2.357
582 3HD2 LEU 35 3HD2 LEU 35 -14.092 6.291 1.401
583 H SER 36 H SER 36 -11.630 6.454 7.408
584 HA SER 36 HA SER 36 -11.286 3.624 7.755
585 1HB SER 36 1HB SER 36 -9.367 4.845 7.777
586 2HB SER 36 2HB SER 36 -9.976 6.129 8.826
587 HG SER 36 HG SER 36 -9.168 3.510 9.664
588 H ALA 37 H ALA 37 -12.774 5.964 10.080
589 HA ALA 37 HA ALA 37 -13.311 4.046 12.061
590 1HB ALA 37 1HB ALA 37 -15.050 6.280 11.010
591 2HB ALA 37 2HB ALA 37 -15.268 5.553 12.621
592 3HB ALA 37 3HB ALA 37 -13.841 6.499 12.277
593 H LYS 38 H LYS 38 -15.306 4.995 9.204
594 HA LYS 38 HA LYS 38 -17.605 3.370 9.432
595 1HB LYS 38 1HB LYS 38 -16.500 5.122 7.302
596 2HB LYS 38 2HB LYS 38 -17.622 3.962 6.864
597 1HG LYS 38 1HG LYS 38 -19.047 4.872 8.781
598 2HG LYS 38 2HG LYS 38 -17.925 6.209 8.967
599 1HD LYS 38 1HD LYS 38 -18.882 6.023 6.216
600 2HD LYS 38 2HD LYS 38 -20.158 6.501 7.417
601 1HE LYS 38 1HE LYS 38 -18.696 8.346 8.150
602 2HE LYS 38 2HE LYS 38 -17.372 7.780 7.188
603 1HZ LYS 38 1HZ LYS 38 -18.495 9.545 6.289
604 2HZ LYS 38 2HZ LYS 38 -19.922 8.754 6.127
605 3HZ LYS 38 3HZ LYS 38 -18.619 8.211 5.290
606 H LEU 39 H LEU 39 -14.934 3.028 7.205
607 HA LEU 39 HA LEU 39 -15.297 0.201 6.264
608 1HB LEU 39 1HB LEU 39 -12.903 1.955 6.657
609 2HB LEU 39 2HB LEU 39 -12.742 0.524 5.976
610 HG LEU 39 HG LEU 39 -14.564 2.713 4.702
611 1HD1 LEU 39 1HD1 LEU 39 -12.418 3.107 3.521
612 2HD1 LEU 39 2HD1 LEU 39 -11.570 1.941 4.492
613 3HD1 LEU 39 3HD1 LEU 39 -12.303 3.415 5.246
614 1HD2 LEU 39 1HD2 LEU 39 -14.658 0.249 4.121
615 2HD2 LEU 39 2HD2 LEU 39 -13.015 0.503 3.474
616 3HD2 LEU 39 3HD2 LEU 39 -14.514 1.477 2.879
617 H ALA 40 H ALA 40 -14.162 1.483 9.316
618 HA ALA 40 HA ALA 40 -12.833 0.501 10.943
619 1HB ALA 40 1HB ALA 40 -14.789 -0.690 11.490
620 2HB ALA 40 2HB ALA 40 -14.523 -1.762 10.175
621 3HB ALA 40 3HB ALA 40 -13.461 -1.745 11.707
622 H LEU 41 H LEU 41 -11.309 1.129 9.221
623 HA LEU 41 HA LEU 41 -9.455 -1.145 8.815
624 1HB LEU 41 1HB LEU 41 -10.146 0.792 6.676
625 2HB LEU 41 2HB LEU 41 -8.686 -0.197 6.565
626 HG LEU 41 HG LEU 41 -11.439 -1.320 6.704
627 1HD1 LEU 41 1HD1 LEU 41 -11.125 -1.884 4.315
628 2HD1 LEU 41 2HD1 LEU 41 -9.511 -1.103 4.253
629 3HD1 LEU 41 3HD1 LEU 41 -10.941 -0.142 4.334
630 1HD2 LEU 41 1HD2 LEU 41 -8.734 -2.689 6.131
631 2HD2 LEU 41 2HD2 LEU 41 -10.263 -3.390 5.847
632 3HD2 LEU 41 3HD2 LEU 41 -9.808 -3.006 7.468
633 H GLY 42 H GLY 42 -7.319 -0.681 8.556
634 1HA GLY 42 1HA GLY 42 -6.096 1.352 10.287
635 2HA GLY 42 2HA GLY 42 -5.291 0.280 9.078
636 H THR 43 H THR 43 -4.844 3.044 9.685
637 HA THR 43 HA THR 43 -6.237 4.566 7.724
638 HB THR 43 HB THR 43 -4.659 6.451 8.296
639 HG1 THR 43 HG1 THR 43 -3.339 5.797 10.182
640 1HG2 THR 43 1HG2 THR 43 -5.574 6.508 10.691
641 2HG2 THR 43 2HG2 THR 43 -5.769 4.788 10.622
642 3HG2 THR 43 3HG2 THR 43 -6.831 5.766 9.586
643 H ALA 44 H ALA 44 -3.108 3.002 7.543
644 HA ALA 44 HA ALA 44 -2.234 4.070 5.094
645 1HB ALA 44 1HB ALA 44 -2.197 1.155 6.077
646 2HB ALA 44 2HB ALA 44 -1.189 1.752 4.921
647 3HB ALA 44 3HB ALA 44 -1.009 2.395 6.623
648 H GLN 45 H GLN 45 -4.746 1.477 5.690
649 HA GLN 45 HA GLN 45 -4.826 0.596 3.055
650 1HB GLN 45 1HB GLN 45 -6.803 0.539 5.467
651 2HB GLN 45 2HB GLN 45 -7.353 -0.070 3.989
652 1HG GLN 45 1HG GLN 45 -6.368 -2.028 5.289
653 2HG GLN 45 2HG GLN 45 -5.391 -1.718 3.963
654 1HE2 GLN 45 2HE2 GLN 45 -5.759 -1.687 7.397
655 2HE2 GLN 45 1HE2 GLN 45 -4.086 -1.278 7.723
656 H VAL 46 H VAL 46 -6.294 3.552 4.519
657 HA VAL 46 HA VAL 46 -8.082 3.751 2.326
658 HB VAL 46 HB VAL 46 -7.558 6.002 4.223
659 1HG1 VAL 46 1HG1 VAL 46 -10.188 5.290 2.688
660 2HG1 VAL 46 2HG1 VAL 46 -9.898 6.688 3.609
661 3HG1 VAL 46 3HG1 VAL 46 -8.881 6.526 2.250
662 1HG2 VAL 46 1HG2 VAL 46 -9.620 5.202 5.335
663 2HG2 VAL 46 2HG2 VAL 46 -9.354 3.618 4.577
664 3HG2 VAL 46 3HG2 VAL 46 -8.143 4.237 5.727
665 H LYS 47 H LYS 47 -4.934 5.678 3.228
666 HA LYS 47 HA LYS 47 -4.619 6.852 0.767
667 1HB LYS 47 1HB LYS 47 -2.708 5.622 2.804
668 2HB LYS 47 2HB LYS 47 -2.078 6.067 1.236
669 1HG LYS 47 1HG LYS 47 -1.605 7.941 2.296
670 2HG LYS 47 2HG LYS 47 -3.168 8.386 1.710
671 1HD LYS 47 1HD LYS 47 -2.873 9.149 3.940
672 2HD LYS 47 2HD LYS 47 -4.068 7.777 3.855
673 1HE LYS 47 1HE LYS 47 -2.637 7.743 5.943
674 2HE LYS 47 2HE LYS 47 -2.267 6.293 5.019
675 1HZ LYS 47 1HZ LYS 47 -0.274 7.516 5.758
676 2HZ LYS 47 2HZ LYS 47 -0.795 8.842 5.057
677 3HZ LYS 47 3HZ LYS 47 -0.379 7.488 4.127
678 H ILE 48 H ILE 48 -3.382 3.418 1.480
679 HA ILE 48 HA ILE 48 -2.479 3.051 -1.174
680 HB ILE 48 HB ILE 48 -3.750 1.007 0.784
681 1HG1 ILE 48 1HG1 ILE 48 -0.855 1.599 0.228
682 2HG1 ILE 48 2HG1 ILE 48 -1.672 2.307 1.641
683 1HG2 ILE 48 1HG2 ILE 48 -3.636 -0.097 -1.463
684 2HG2 ILE 48 2HG2 ILE 48 -1.981 0.582 -1.809
685 3HG2 ILE 48 3HG2 ILE 48 -2.401 -0.658 -0.632
686 1HD1 ILE 48 1HD1 ILE 48 -2.237 -0.213 2.223
687 2HD1 ILE 48 2HD1 ILE 48 -0.718 -0.591 1.343
688 3HD1 ILE 48 3HD1 ILE 48 -0.854 0.560 2.697
689 H TRP 49 H TRP 49 -6.010 2.438 0.141
690 HA TRP 49 HA TRP 49 -6.794 1.417 -2.346
691 1HB TRP 49 1HB TRP 49 -8.046 1.409 -0.294
692 2HB TRP 49 2HB TRP 49 -8.397 3.186 -0.466
693 HD1 TRP 49 HD1 TRP 49 -8.635 0.285 -2.761
694 HE1 TRP 49 HE1 TRP 49 -11.027 0.370 -3.970
695 HE3 TRP 49 HE3 TRP 49 -9.852 4.789 -1.487
696 HZ2 TRP 49 HZ2 TRP 49 -13.002 2.402 -4.534
697 HZ3 TRP 49 HZ3 TRP 49 -11.666 6.040 -2.862
698 HH2 TRP 49 HH2 TRP 49 -13.227 4.830 -4.239
699 H PHE 50 H PHE 50 -7.087 4.895 -1.190
700 HA PHE 50 HA PHE 50 -8.038 5.780 -3.648
701 1HB PHE 50 1HB PHE 50 -6.634 7.383 -1.383
702 2HB PHE 50 2HB PHE 50 -6.968 8.129 -2.873
703 HD1 PHE 50 HD1 PHE 50 -9.304 8.634 -3.693
704 HD2 PHE 50 HD2 PHE 50 -8.435 7.025 0.264
705 HE1 PHE 50 HE1 PHE 50 -11.558 9.318 -2.718
706 HE2 PHE 50 HE2 PHE 50 -10.802 7.377 0.990
707 HZ PHE 50 HZ PHE 50 -12.310 8.511 -0.691
708 H LYS 51 H LYS 51 -4.664 5.772 -2.629
709 HA LYS 51 HA LYS 51 -3.444 7.028 -4.793
710 1HB LYS 51 1HB LYS 51 -2.523 6.732 -2.599
711 2HB LYS 51 2HB LYS 51 -2.271 4.941 -2.925
712 1HG LYS 51 1HG LYS 51 -0.942 6.686 -4.945
713 2HG LYS 51 2HG LYS 51 -0.485 6.986 -3.383
714 1HD LYS 51 1HD LYS 51 -0.429 4.170 -4.703
715 2HD LYS 51 2HD LYS 51 0.892 5.207 -4.600
716 1HE LYS 51 1HE LYS 51 -0.367 3.846 -2.111
717 2HE LYS 51 2HE LYS 51 1.249 3.802 -2.829
718 1HZ LYS 51 1HZ LYS 51 1.079 5.173 -0.834
719 2HZ LYS 51 2HZ LYS 51 0.034 6.081 -1.626
720 3HZ LYS 51 3HZ LYS 51 1.606 6.036 -2.109
721 H ASN 52 H ASN 52 -4.250 3.579 -4.162
722 HA ASN 52 HA ASN 52 -2.952 2.750 -6.571
723 1HB ASN 52 1HB ASN 52 -3.105 1.414 -4.451
724 2HB ASN 52 2HB ASN 52 -4.815 1.483 -4.538
725 1HD2 ASN 52 1HD2 ASN 52 -5.247 -0.606 -4.442
726 2HD2 ASN 52 2HD2 ASN 52 -4.537 -1.775 -5.380
727 H ARG 53 H ARG 53 -6.470 3.585 -5.778
728 HA ARG 53 HA ARG 53 -7.541 2.913 -8.330
729 1HB ARG 53 1HB ARG 53 -8.174 4.819 -6.106
730 2HB ARG 53 2HB ARG 53 -9.121 4.814 -7.556
731 1HG ARG 53 1HG ARG 53 -8.824 2.333 -5.860
732 2HG ARG 53 2HG ARG 53 -10.060 3.449 -5.769
733 1HD ARG 53 1HD ARG 53 -10.907 3.135 -7.966
734 2HD ARG 53 2HD ARG 53 -9.553 1.977 -8.358
735 HE ARG 53 HE ARG 53 -10.530 0.327 -6.918
736 1HH1 ARG 53 2HH1 ARG 53 -12.855 3.044 -7.241
737 2HH1 ARG 53 1HH1 ARG 53 -14.114 1.925 -7.168
738 1HH2 ARG 53 2HH2 ARG 53 -12.509 -0.957 -6.660
739 2HH2 ARG 53 1HH2 ARG 53 -13.887 0.098 -6.589
740 H ARG 54 H ARG 54 -5.703 5.795 -7.120
741 HA ARG 54 HA ARG 54 -6.189 7.393 -9.550
742 1HB ARG 54 1HB ARG 54 -4.014 7.267 -7.670
743 2HB ARG 54 2HB ARG 54 -4.076 8.534 -8.879
744 1HG ARG 54 1HG ARG 54 -5.101 8.366 -6.178
745 2HG ARG 54 2HG ARG 54 -5.023 9.785 -7.237
746 1HD ARG 54 1HD ARG 54 -7.109 7.620 -7.115
747 2HD ARG 54 2HD ARG 54 -7.110 9.085 -6.178
748 HE ARG 54 HE ARG 54 -7.012 10.323 -8.227
749 1HH1 ARG 54 2HH1 ARG 54 -8.549 7.197 -8.269
750 2HH1 ARG 54 1HH1 ARG 54 -10.031 7.676 -9.124
751 1HH2 ARG 54 2HH2 ARG 54 -8.530 10.740 -9.819
752 2HH2 ARG 54 1HH2 ARG 54 -9.891 9.807 -10.207
753 H ARG 55 H ARG 55 -3.426 5.113 -8.612
754 HA ARG 55 HA ARG 55 -2.179 5.081 -11.065
755 1HB ARG 55 1HB ARG 55 -2.450 3.137 -8.816
756 2HB ARG 55 2HB ARG 55 -1.359 2.726 -10.175
757 1HG ARG 55 1HG ARG 55 -1.146 4.817 -7.953
758 2HG ARG 55 2HG ARG 55 -0.011 3.575 -8.527
759 1HD ARG 55 1HD ARG 55 -0.623 6.039 -9.971
760 2HD ARG 55 2HD ARG 55 0.743 5.804 -9.051
761 HE ARG 55 HE ARG 55 0.281 4.733 -11.725
762 1HH1 ARG 55 2HH1 ARG 55 2.049 3.850 -8.811
763 2HH1 ARG 55 1HH1 ARG 55 3.225 3.001 -9.708
764 1HH2 ARG 55 2HH2 ARG 55 2.027 3.916 -12.916
765 2HH2 ARG 55 1HH2 ARG 55 3.315 3.140 -12.028
766 H ARG 56 H ARG 56 -4.748 2.586 -9.967
767 HA ARG 56 HA ARG 56 -4.761 1.243 -12.396
768 1HB ARG 56 1HB ARG 56 -6.194 1.132 -10.000
769 2HB ARG 56 2HB ARG 56 -7.394 1.752 -10.978
770 1HG ARG 56 1HG ARG 56 -7.944 -0.274 -11.200
771 2HG ARG 56 2HG ARG 56 -6.919 -0.138 -12.612
772 1HD ARG 56 1HD ARG 56 -6.197 -1.534 -10.162
773 2HD ARG 56 2HD ARG 56 -6.354 -2.301 -11.767
774 HE ARG 56 HE ARG 56 -4.141 -1.421 -12.364
775 1HH1 ARG 56 2HH1 ARG 56 -4.835 -1.186 -8.886
776 2HH1 ARG 56 1HH1 ARG 56 -3.449 -0.163 -8.750
777 1HH2 ARG 56 2HH2 ARG 56 -2.214 -0.830 -11.812
778 2HH2 ARG 56 1HH2 ARG 56 -1.890 -0.220 -10.148
779 H HIS 57 H HIS 57 -6.527 4.245 -11.404
780 HA HIS 57 HA HIS 57 -7.925 4.419 -13.915
781 1HB HIS 57 1HB HIS 57 -8.670 5.522 -11.819
782 2HB HIS 57 2HB HIS 57 -7.351 6.500 -11.732
783 HD1 HIS 57 HD1 HIS 57 -7.934 8.871 -12.341
784 HD2 HIS 57 HD2 HIS 57 -9.666 5.868 -14.776
785 HE1 HIS 57 HE1 HIS 57 -9.185 10.110 -14.223
786 H LYS 58 H LYS 58 -5.118 6.286 -12.936
787 HA LYS 58 HA LYS 58 -4.728 7.369 -15.483
788 1HB LYS 58 1HB LYS 58 -2.482 8.143 -14.763
789 2HB LYS 58 2HB LYS 58 -3.609 8.205 -13.399
790 1HG LYS 58 1HG LYS 58 -2.346 5.942 -12.777
791 2HG LYS 58 2HG LYS 58 -1.245 6.335 -14.180
792 1HD LYS 58 1HD LYS 58 -0.208 7.264 -12.056
793 2HD LYS 58 2HD LYS 58 -0.674 8.619 -13.024
794 1HE LYS 58 1HE LYS 58 -2.930 7.751 -11.486
795 2HE LYS 58 2HE LYS 58 -1.421 7.741 -10.418
796 1HZ LYS 58 1HZ LYS 58 -1.273 10.266 -11.190
797 2HZ LYS 58 2HZ LYS 58 -2.441 9.871 -10.196
798 3HZ LYS 58 3HZ LYS 58 -2.633 10.093 -11.865
799 H ILE 59 H ILE 59 -3.433 4.177 -14.301
800 HA ILE 59 HA ILE 59 -1.810 3.558 -16.531
801 HB ILE 59 HB ILE 59 -3.162 1.797 -14.400
802 1HG1 ILE 59 1HG1 ILE 59 -0.113 2.284 -14.984
803 2HG1 ILE 59 2HG1 ILE 59 -1.031 3.471 -14.087
804 1HG2 ILE 59 1HG2 ILE 59 -1.854 -0.023 -15.321
805 2HG2 ILE 59 2HG2 ILE 59 -3.168 0.534 -16.373
806 3HG2 ILE 59 3HG2 ILE 59 -1.527 0.898 -16.766
807 1HD1 ILE 59 1HD1 ILE 59 -0.778 0.540 -13.332
808 2HD1 ILE 59 2HD1 ILE 59 0.137 1.884 -12.628
809 3HD1 ILE 59 3HD1 ILE 59 -1.654 1.770 -12.421
810 H GLN 60 H GLN 60 -5.368 2.852 -15.650
811 HA GLN 60 HA GLN 60 -5.883 1.525 -18.174
812 1HB GLN 60 1HB GLN 60 -7.644 2.885 -16.039
813 2HB GLN 60 2HB GLN 60 -8.282 2.142 -17.580
814 1HG GLN 60 1HG GLN 60 -7.351 0.224 -17.203
815 2HG GLN 60 2HG GLN 60 -6.462 0.617 -15.699
816 1HE2 GLN 60 1HE2 GLN 60 -7.815 -1.413 -14.943
817 2HE2 GLN 60 2HE2 GLN 60 -9.265 -1.025 -14.081
818 H SER 61 H SER 61 -5.911 4.854 -17.277
819 HA SER 61 HA SER 61 -6.935 5.664 -19.758
820 1HB SER 61 1HB SER 61 -5.149 7.239 -17.846
821 2HB SER 61 2HB SER 61 -6.131 8.019 -19.088
822 HG SER 61 HG SER 61 -6.954 6.583 -16.809
823 H ASP 62 H ASP 62 -3.677 4.700 -18.901
824 HA ASP 62 HA ASP 62 -2.311 6.116 -21.050
825 1HB ASP 62 1HB ASP 62 -1.256 5.433 -18.824
826 2HB ASP 62 2HB ASP 62 -1.302 3.780 -19.528
827 H GLN 63 H GLN 63 -4.343 3.327 -20.846
828 HA GLN 63 HA GLN 63 -3.096 1.779 -23.033
829 1HB GLN 63 1HB GLN 63 -6.009 1.530 -21.959
830 2HB GLN 63 2HB GLN 63 -5.123 0.464 -23.047
831 1HG GLN 63 1HG GLN 63 -3.606 -0.012 -21.197
832 2HG GLN 63 2HG GLN 63 -4.474 1.074 -20.047
833 1HE2 GLN 63 1HE2 GLN 63 -3.998 -1.134 -19.082
834 2HE2 GLN 63 2HE2 GLN 63 -5.410 -2.160 -18.914
835 H HIS 64 H HIS 64 -2.773 3.238 -24.852
836 HA HIS 64 HA HIS 64 -5.122 3.829 -26.459
837 1HB HIS 64 1HB HIS 64 -4.497 5.674 -24.802
838 2HB HIS 64 2HB HIS 64 -2.991 5.850 -25.771
839 HD1 HIS 64 HD1 HIS 64 -3.253 7.837 -27.246
840 HD2 HIS 64 HD2 HIS 64 -6.743 5.691 -26.755
841 HE1 HIS 64 HE1 HIS 64 -4.901 8.948 -28.848
842 H LYS 65 H LYS 65 -4.773 4.042 -28.549
843 HA LYS 65 HA LYS 65 -3.979 4.098 -30.579
844 1HB LYS 65 1HB LYS 65 -2.497 5.805 -29.269
845 2HB LYS 65 2HB LYS 65 -1.134 4.846 -29.484
846 1HG LYS 65 1HG LYS 65 -1.236 5.095 -32.012
847 2HG LYS 65 2HG LYS 65 -2.788 5.862 -31.930
848 1HD LYS 65 1HD LYS 65 -1.772 7.734 -30.650
849 2HD LYS 65 2HD LYS 65 -0.170 6.867 -30.599
850 1HE LYS 65 1HE LYS 65 -1.512 7.593 -33.226
851 2HE LYS 65 2HE LYS 65 -0.456 8.615 -32.350
852 1HZ LYS 65 1HZ LYS 65 0.677 7.128 -33.869
853 2HZ LYS 65 2HZ LYS 65 0.217 5.831 -33.013
854 3HZ LYS 65 3HZ LYS 65 1.204 6.908 -32.378
855 H ASP 66 H ASP 66 -1.961 3.294 -31.977
856 HA ASP 66 HA ASP 66 -1.376 1.376 -33.195
857 1HB ASP 66 1HB ASP 66 0.232 0.706 -30.762
858 2HB ASP 66 2HB ASP 66 0.693 0.232 -32.336
859 H GLN 67 H GLN 67 -3.517 0.845 -33.145
860 HA GLN 67 HA GLN 67 -4.087 -1.909 -32.360
861 1HB GLN 67 1HB GLN 67 -6.272 -1.399 -31.520
862 2HB GLN 67 2HB GLN 67 -5.020 -0.525 -30.545
863 1HG GLN 67 1HG GLN 67 -5.758 1.667 -31.727
864 2HG GLN 67 2HG GLN 67 -6.580 0.706 -32.780
865 1HE2 GLN 67 2HE2 GLN 67 -8.488 0.009 -32.721
866 2HE2 GLN 67 1HE2 GLN 67 -9.511 0.278 -31.296
867 H SER 68 H SER 68 -6.605 -2.196 -33.418
868 HA SER 68 HA SER 68 -6.569 -1.888 -36.332
869 1HB SER 68 1HB SER 68 -8.434 -3.298 -34.330
870 2HB SER 68 2HB SER 68 -8.421 -3.459 -36.152
871 HG SER 68 HG SER 68 -7.289 -5.067 -34.824
Start of MODEL 7
1 1H5* G 69 1H5* G 69 10.216 -24.406 -10.622
2 2H5* G 69 2H5* G 69 11.523 -23.258 -10.674
3 H4* G 69 H4* G 69 9.692 -22.852 -12.215
4 H3* G 69 H3* G 69 10.953 -20.936 -10.590
5 H1* G 69 H1* G 69 7.294 -20.955 -11.648
6 H8 G 69 H8 G 69 7.377 -21.561 -7.759
7 H1 G 69 H1 G 69 1.458 -21.720 -10.252
8 1H2 G 69 1H2 G 69 3.141 -20.809 -13.060
9 2H2 G 69 2H2 G 69 1.559 -21.098 -12.347
10 H5T G 69 H5T G 69 9.454 -23.696 -8.840
11 1H2* G 69 1H2* G 69 8.875 -20.731 -9.066
12 2H2* G 69 2H2* G 69 8.548 -19.513 -10.224
13 1H5* C 70 1H5* C 70 8.604 -20.023 -14.354
14 2H5* C 70 2H5* C 70 9.249 -18.595 -15.216
15 H4* C 70 H4* C 70 7.088 -18.956 -15.812
16 H3* C 70 H3* C 70 8.098 -16.630 -14.713
17 H1* C 70 H1* C 70 4.468 -17.864 -13.914
18 1H4 C 70 1H4 C 70 5.078 -17.803 -7.501
19 2H4 C 70 2H4 C 70 3.414 -17.444 -8.081
20 H5 C 70 H5 C 70 6.966 -18.114 -9.145
21 H6 C 70 H6 C 70 7.313 -18.108 -11.538
22 1H2* C 70 1H2* C 70 6.901 -16.478 -12.905
23 2H2* C 70 2H2* C 70 5.530 -15.901 -13.834
24 1H5* T 71 1H5* T 71 4.195 -16.305 -16.740
25 2H5* T 71 2H5* T 71 3.713 -14.866 -17.571
26 H4* T 71 H4* T 71 1.993 -15.846 -15.906
27 H3* T 71 H3* T 71 2.660 -13.107 -16.255
28 1H2* T 71 1H2* T 71 2.588 -12.825 -13.961
29 2H2* T 71 2H2* T 71 0.827 -13.118 -14.141
30 H1* T 71 H1* T 71 1.098 -15.523 -13.645
31 H3 T 71 H3 T 71 0.987 -15.143 -9.175
32 1H5M T 71 1H5M T 71 6.138 -14.726 -10.827
33 2H5M T 71 2H5M T 71 5.585 -13.687 -9.601
34 3H5M T 71 3H5M T 71 5.841 -15.400 -9.302
35 H6 T 71 H6 T 71 4.481 -14.857 -12.426
36 1H5* C 72 1H5* C 72 -2.099 -13.613 -15.330
37 2H5* C 72 2H5* C 72 -2.731 -12.152 -15.951
38 H4* C 72 H4* C 72 -3.316 -12.668 -13.604
39 H3* C 72 H3* C 72 -2.422 -10.003 -14.499
40 H1* C 72 H1* C 72 -2.395 -11.973 -11.075
41 1H4 C 72 1H4 C 72 3.923 -11.948 -9.198
42 2H4 C 72 2H4 C 72 2.856 -12.287 -7.775
43 H5 C 72 H5 C 72 2.858 -11.494 -11.461
44 H6 C 72 H6 C 72 0.858 -11.494 -12.640
45 1H2* C 72 1H2* C 72 -1.047 -9.658 -12.683
46 2H2* C 72 2H2* C 72 -2.628 -9.703 -11.783
47 1H5* T 73 1H5* T 73 -5.167 -10.658 -11.182
48 2H5* T 73 2H5* T 73 -6.368 -9.490 -11.178
49 H4* T 73 H4* T 73 -5.825 -9.696 -9.065
50 H3* T 73 H3* T 73 -5.749 -7.061 -10.164
51 1H2* T 73 1H2* T 73 -3.503 -6.846 -10.130
52 2H2* T 73 2H2* T 73 -3.728 -6.185 -8.588
53 H1* T 73 H1* T 73 -3.519 -8.294 -7.513
54 H3 T 73 H3 T 73 0.851 -9.319 -6.986
55 1H5M T 73 1H5M T 73 1.822 -6.984 -10.979
56 2H5M T 73 2H5M T 73 1.375 -8.496 -11.679
57 3H5M T 73 3H5M T 73 0.286 -7.115 -11.896
58 H6 T 73 H6 T 73 -1.741 -7.561 -10.602
59 1H5* A 74 1H5* A 74 -5.012 -7.592 -5.695
60 2H5* A 74 2H5* A 74 -6.446 -6.857 -4.908
61 H4* A 74 H4* A 74 -4.764 -6.880 -3.346
62 H3* A 74 H3* A 74 -5.580 -4.341 -3.771
63 H1* A 74 H1* A 74 -1.778 -5.397 -3.482
64 H8 A 74 H8 A 74 -2.918 -4.603 -7.087
65 1H6 A 74 1H6 A 74 3.011 -6.125 -8.218
66 2H6 A 74 2H6 A 74 1.621 -5.341 -9.068
67 H2 A 74 H2 A 74 2.590 -6.536 -4.371
68 1H2* A 74 1H2* A 74 -3.777 -3.472 -5.049
69 2H2* A 74 2H2* A 74 -3.045 -3.329 -3.449
70 1H5* A 75 1H5* A 75 -2.747 -5.752 0.025
71 2H5* A 75 2H5* A 75 -3.212 -4.737 1.382
72 H4* A 75 H4* A 75 -0.711 -5.409 1.399
73 H3* A 75 H3* A 75 -1.476 -2.633 1.762
74 H1* A 75 H1* A 75 1.571 -4.037 -0.425
75 H8 A 75 H8 A 75 -1.386 -2.022 -2.173
76 1H6 A 75 1H6 A 75 2.623 -2.496 -7.054
77 2H6 A 75 2H6 A 75 0.992 -1.838 -6.753
78 H2 A 75 H2 A 75 4.602 -4.144 -3.814
79 1H2* A 75 1H2* A 75 -0.623 -1.875 -0.173
80 2H2* A 75 2H2* A 75 0.874 -1.918 0.766
81 1H5* T 76 1H5* T 76 2.509 -4.327 1.655
82 2H5* T 76 2H5* T 76 3.243 -4.224 3.230
83 H4* T 76 H4* T 76 4.921 -4.587 1.547
84 H3* T 76 H3* T 76 5.128 -2.615 3.411
85 1H2* T 76 1H2* T 76 4.749 -0.835 1.833
86 2H2* T 76 2H2* T 76 6.545 -0.983 1.658
87 H1* T 76 H1* T 76 6.309 -2.347 -0.317
88 H3 T 76 H3 T 76 4.938 -0.422 -4.010
89 1H5M T 76 1H5M T 76 1.415 1.539 -1.460
90 2H5M T 76 2H5M T 76 0.621 -0.017 -1.912
91 3H5M T 76 3H5M T 76 1.148 0.417 -0.211
92 H6 T 76 H6 T 76 3.059 -0.803 0.395
93 1H5* C 77 1H5* C 77 8.476 -2.990 0.538
94 2H5* C 77 2H5* C 77 9.925 -3.677 1.294
95 H4* C 77 H4* C 77 10.952 -2.437 -0.407
96 H3* C 77 H3* C 77 11.327 -1.188 1.954
97 H1* C 77 H1* C 77 10.733 0.356 -1.360
98 1H4 C 77 1H4 C 77 4.549 2.960 -1.492
99 2H4 C 77 2H4 C 77 5.084 2.810 -3.172
100 H5 C 77 H5 C 77 5.661 1.789 0.213
101 H6 C 77 H6 C 77 7.855 1.025 0.952
102 1H2* C 77 1H2* C 77 9.666 0.649 1.480
103 2H2* C 77 2H2* C 77 11.076 1.315 0.810
104 1H5* C 78 1H5* C 78 13.169 0.321 -2.295
105 2H5* C 78 2H5* C 78 14.639 1.226 -1.852
106 H4* C 78 H4* C 78 13.084 2.298 -3.659
107 H3* C 78 H3* C 78 14.224 3.678 -1.182
108 H1* C 78 H1* C 78 11.080 4.147 -3.402
109 1H4 C 78 1H4 C 78 6.260 4.688 0.864
110 2H4 C 78 2H4 C 78 5.898 5.439 -0.755
111 H5 C 78 H5 C 78 8.623 4.279 1.504
112 H6 C 78 H6 C 78 10.739 3.681 0.297
113 1H2* C 78 1H2* C 78 12.415 4.723 -0.830
114 2H2* C 78 2H2* C 78 12.565 5.514 -2.485
115 1H5* C 79 1H5* C 79 13.016 5.346 -4.808
116 2H5* C 79 2H5* C 79 14.243 5.895 -5.823
117 H4* C 79 H4* C 79 12.524 7.219 -6.518
118 H3* C 79 H3* C 79 14.288 8.914 -5.190
119 H1* C 79 H1* C 79 10.612 9.158 -5.089
120 1H4 C 79 1H4 C 79 7.985 8.146 0.778
121 2H4 C 79 2H4 C 79 6.853 8.878 -0.415
122 H5 C 79 H5 C 79 10.250 7.386 0.026
123 H6 C 79 H6 C 79 11.617 7.305 -2.002
124 1H2* C 79 1H2* C 79 13.016 9.104 -3.223
125 2H2* C 79 2H2* C 79 12.307 10.484 -4.166
126 1H5* C 80 1H5* C 80 10.159 10.674 -7.096
127 2H5* C 80 2H5* C 80 10.817 11.654 -8.419
128 H4* C 80 H4* C 80 8.880 12.508 -7.953
129 H3* C 80 H3* C 80 10.974 14.217 -7.612
130 H1* C 80 H1* C 80 7.999 14.209 -5.236
131 1H4 C 80 1H4 C 80 9.519 11.261 0.470
132 2H4 C 80 2H4 C 80 7.870 12.009 0.495
133 H5 C 80 H5 C 80 10.837 11.301 -1.619
134 H6 C 80 H6 C 80 10.858 12.359 -3.976
135 1H2* C 80 1H2* C 80 10.948 13.894 -5.309
136 2H2* C 80 2H2* C 80 10.106 15.513 -5.439
137 1H5* G 81 1H5* G 81 7.141 17.065 -6.753
138 2H5* G 81 2H5* G 81 7.533 18.666 -7.381
139 H4* G 81 H4* G 81 6.814 19.323 -5.347
140 H3* G 81 H3* G 81 9.585 19.633 -5.512
141 H1* G 81 H1* G 81 7.792 18.667 -2.537
142 H8 G 81 H8 G 81 10.646 16.281 -2.728
143 H1 G 81 H1 G 81 6.186 14.759 1.677
144 1H2 G 81 1H2 G 81 4.305 16.631 -0.566
145 2H2 G 81 2H2 G 81 4.309 15.718 0.994
146 H3T G 81 H3T G 81 8.807 21.238 -4.703
147 1H2* G 81 1H2* G 81 9.878 17.580 -4.376
148 2H2* G 81 2H2* G 81 10.123 18.922 -3.066
149 1H5* C 82 1H5* C 82 1.737 14.093 8.479
150 2H5* C 82 2H5* C 82 0.927 12.602 8.857
151 H4* C 82 H4* C 82 0.010 13.858 6.930
152 H3* C 82 H3* C 82 0.649 11.070 6.658
153 H1* C 82 H1* C 82 1.642 14.045 3.974
154 1H4 C 82 1H4 C 82 8.189 13.011 4.731
155 2H4 C 82 2H4 C 82 7.867 13.807 3.279
156 H5 C 82 H5 C 82 6.320 11.762 5.812
157 H6 C 82 H6 C 82 3.894 11.799 6.102
158 H5T C 82 H5T C 82 2.939 11.874 8.934
159 1H2* C 82 1H2* C 82 2.176 11.310 4.940
160 2H2* C 82 2H2* C 82 0.808 11.934 3.944
161 1H5* G 83 1H5* G 83 -1.989 12.846 3.344
162 2H5* G 83 2H5* G 83 -3.458 11.904 2.815
163 H4* G 83 H4* G 83 -2.377 12.760 0.932
164 H3* G 83 H3* G 83 -2.647 10.029 1.068
165 H1* G 83 H1* G 83 0.383 11.626 -0.456
166 H8 G 83 H8 G 83 1.469 10.241 2.793
167 H1 G 83 H1 G 83 6.010 12.890 -0.810
168 1H2 G 83 1H2 G 83 3.522 13.465 -2.923
169 2H2 G 83 2H2 G 83 5.248 13.749 -2.524
170 1H2* G 83 1H2* G 83 -0.344 9.583 1.640
171 2H2* G 83 2H2* G 83 -0.532 9.426 -0.153
172 1H5* G 84 1H5* G 84 -1.230 12.482 -2.804
173 2H5* G 84 2H5* G 84 -2.828 12.353 -3.468
174 H4* G 84 H4* G 84 -1.507 12.748 -5.356
175 H3* G 84 H3* G 84 -2.448 10.273 -5.355
176 H1* G 84 H1* G 84 1.574 10.619 -5.589
177 H8 G 84 H8 G 84 0.127 9.102 -2.365
178 H1 G 84 H1 G 84 6.477 10.043 -2.827
179 1H2 G 84 1H2 G 84 5.612 11.363 -5.826
180 2H2 G 84 2H2 G 84 6.923 10.799 -4.796
181 1H2* G 84 1H2* G 84 -0.625 9.010 -4.394
182 2H2* G 84 2H2* G 84 0.042 9.108 -6.102
183 1H5* G 85 1H5* G 85 1.048 10.690 -8.217
184 2H5* G 85 2H5* G 85 0.808 10.173 -9.948
185 H4* G 85 H4* G 85 2.782 9.249 -9.547
186 H3* G 85 H3* G 85 0.778 7.502 -10.044
187 H1* G 85 H1* G 85 3.582 7.025 -7.759
188 H8 G 85 H8 G 85 0.654 6.701 -5.103
189 H1 G 85 H1 G 85 6.561 6.238 -2.812
190 1H2 G 85 1H2 G 85 7.196 6.754 -6.140
191 2H2 G 85 2H2 G 85 7.855 6.131 -4.499
192 1H2* G 85 1H2* G 85 0.587 6.922 -7.611
193 2H2* G 85 2H2* G 85 1.715 5.644 -8.273
194 1H5* G 86 1H5* G 86 5.410 7.572 -10.437
195 2H5* G 86 2H5* G 86 5.751 8.376 -12.051
196 H4* G 86 H4* G 86 7.630 7.139 -12.104
197 H3* G 86 H3* G 86 6.178 5.383 -13.356
198 H1* G 86 H1* G 86 7.870 3.968 -10.189
199 H8 G 86 H8 G 86 4.303 4.868 -9.954
200 H1 G 86 H1 G 86 6.741 2.866 -4.432
201 1H2 G 86 1H2 G 86 9.831 2.982 -6.040
202 2H2 G 86 2H2 G 86 8.971 2.474 -4.601
203 1H2* G 86 1H2* G 86 5.259 4.108 -11.680
204 2H2* G 86 2H2* G 86 6.708 3.241 -11.927
205 1H5* A 87 1H5* A 87 9.795 3.657 -11.381
206 2H5* A 87 2H5* A 87 10.919 2.918 -12.492
207 H4* A 87 H4* A 87 11.191 1.730 -10.694
208 H3* A 87 H3* A 87 10.132 0.380 -12.731
209 H1* A 87 H1* A 87 9.077 -0.309 -9.299
210 H8 A 87 H8 A 87 6.069 0.950 -11.223
211 1H6 A 87 1H6 A 87 3.130 0.524 -5.703
212 2H6 A 87 2H6 A 87 2.852 0.757 -7.403
213 H2 A 87 H2 A 87 7.289 -0.796 -5.234
214 1H2* A 87 1H2* A 87 7.935 0.428 -11.918
215 2H2* A 87 2H2* A 87 8.361 -1.193 -11.265
216 1H5* T 88 1H5* T 88 11.481 -1.048 -8.724
217 2H5* T 88 2H5* T 88 12.785 -2.273 -8.886
218 H4* T 88 H4* T 88 12.117 -2.331 -6.717
219 H3* T 88 H3* T 88 12.331 -4.676 -8.180
220 1H2* T 88 1H2* T 88 10.092 -4.971 -8.811
221 2H2* T 88 2H2* T 88 10.024 -5.886 -7.369
222 H1* T 88 H1* T 88 9.398 -4.052 -5.874
223 H3 T 88 H3 T 88 4.875 -3.332 -6.329
224 1H5M T 88 1H5M T 88 6.880 -3.144 -11.317
225 2H5M T 88 2H5M T 88 5.225 -3.590 -10.899
226 3H5M T 88 3H5M T 88 5.594 -1.928 -10.746
227 H6 T 88 H6 T 88 8.361 -3.726 -9.582
228 1H5* T 89 1H5* T 89 11.093 -5.095 -3.723
229 2H5* T 89 2H5* T 89 11.926 -6.455 -3.034
230 H4* T 89 H4* T 89 9.751 -6.158 -1.793
231 H3* T 89 H3* T 89 10.566 -8.677 -2.655
232 1H2* T 89 1H2* T 89 9.434 -8.763 -4.677
233 2H2* T 89 2H2* T 89 8.313 -9.568 -3.621
234 H1* T 89 H1* T 89 7.116 -7.525 -2.863
235 H3 T 89 H3 T 89 4.134 -6.537 -6.022
236 1H5M T 89 1H5M T 89 8.920 -7.458 -8.561
237 2H5M T 89 2H5M T 89 7.492 -8.284 -9.234
238 3H5M T 89 3H5M T 89 7.547 -6.553 -9.374
239 H6 T 89 H6 T 89 8.841 -7.572 -6.290
240 1H5* A 90 1H5* A 90 7.330 -8.884 1.203
241 2H5* A 90 2H5* A 90 7.581 -10.521 1.764
242 H4* A 90 H4* A 90 5.269 -9.639 2.197
243 H3* A 90 H3* A 90 5.758 -12.155 1.676
244 H1* A 90 H1* A 90 3.239 -10.278 -0.502
245 H8 A 90 H8 A 90 6.525 -10.821 -2.240
246 1H6 A 90 1H6 A 90 3.170 -9.507 -7.388
247 2H6 A 90 2H6 A 90 4.804 -9.436 -6.851
248 H2 A 90 H2 A 90 0.616 -8.954 -4.122
249 1H2* A 90 1H2* A 90 5.735 -11.987 -0.589
250 2H2* A 90 2H2* A 90 4.047 -12.570 -0.315
251 1H5* G 91 1H5* G 91 1.199 -10.544 1.713
252 2H5* G 91 2H5* G 91 0.494 -11.609 2.916
253 H4* G 91 H4* G 91 -1.187 -10.641 1.435
254 H3* G 91 H3* G 91 -1.244 -13.412 2.006
255 H1* G 91 H1* G 91 -1.580 -12.143 -1.685
256 H8 G 91 H8 G 91 2.106 -13.201 -0.755
257 H1 G 91 H1 G 91 0.854 -12.041 -7.000
258 1H2 G 91 1H2 G 91 -2.418 -12.088 -5.620
259 2H2 G 91 2H2 G 91 -1.512 -12.142 -7.056
260 1H2* G 91 1H2* G 91 0.154 -13.976 0.063
261 2H2* G 91 2H2* G 91 -1.475 -14.259 -0.590
262 1H5* A 92 1H5* A 92 -4.241 -11.957 -1.517
263 2H5* A 92 2H5* A 92 -5.579 -12.560 -1.001
264 H4* A 92 H4* A 92 -6.104 -12.682 -3.159
265 H3* A 92 H3* A 92 -6.201 -14.956 -1.952
266 H1* A 92 H1* A 92 -4.512 -14.945 -5.351
267 H8 A 92 H8 A 92 -2.057 -15.210 -2.468
268 1H6 A 92 1H6 A 92 2.105 -15.710 -6.732
269 2H6 A 92 2H6 A 92 1.699 -16.097 -5.039
270 H2 A 92 H2 A 92 -1.441 -14.787 -8.724
271 1H2* A 92 1H2* A 92 -4.052 -15.706 -2.529
272 2H2* A 92 2H2* A 92 -4.954 -16.595 -3.760
273 1H5* G 93 1H5* G 93 -6.513 -14.424 -7.101
274 2H5* G 93 2H5* G 93 -7.829 -15.535 -7.634
275 H4* G 93 H4* G 93 -6.121 -15.568 -9.407
276 H3* G 93 H3* G 93 -7.203 -17.778 -7.986
277 H1* G 93 H1* G 93 -3.972 -17.449 -9.729
278 H8 G 93 H8 G 93 -3.631 -18.247 -6.117
279 H1 G 93 H1 G 93 1.836 -18.750 -9.579
280 1H2 G 93 1H2 G 93 -0.284 -17.793 -12.112
281 2H2 G 93 2H2 G 93 1.374 -18.328 -11.671
282 1H2* G 93 1H2* G 93 -5.303 -18.448 -7.204
283 2H2* G 93 2H2* G 93 -5.093 -19.228 -8.863
284 1H5* C 94 1H5* C 94 -5.723 -17.361 -12.556
285 2H5* C 94 2H5* C 94 -6.599 -18.445 -13.542
286 H4* C 94 H4* C 94 -4.235 -18.395 -14.456
287 H3* C 94 H3* C 94 -5.881 -20.602 -14.028
288 H1* C 94 H1* C 94 -2.031 -20.296 -13.253
289 1H4 C 94 1H4 C 94 -1.075 -21.785 -6.873
290 2H4 C 94 2H4 C 94 0.279 -21.806 -8.035
291 H5 C 94 H5 C 94 -3.304 -20.929 -7.993
292 H6 C 94 H6 C 94 -4.186 -20.333 -10.245
293 H3T C 94 H3T C 94 -4.306 -21.497 -15.529
294 1H2* C 94 1H2* C 94 -4.651 -21.509 -12.277
295 2H2* C 94 2H2* C 94 -3.531 -22.080 -13.491
296 1H GLY 1 1H GLY 1 6.514 -6.702 2.880
297 2H GLY 1 2H GLY 1 8.061 -6.387 2.141
298 3H GLY 1 3H GLY 1 7.522 -5.485 3.417
299 1HA GLY 1 1HA GLY 1 8.313 -8.311 3.602
300 2HA GLY 1 2HA GLY 1 9.039 -6.915 4.295
301 HA PRO 2 HA PRO 2 6.222 -9.569 6.773
302 1HB PRO 2 1HB PRO 2 7.882 -8.475 9.059
303 2HB PRO 2 2HB PRO 2 7.122 -10.092 8.813
304 1HG PRO 2 1HG PRO 2 9.797 -9.633 8.074
305 2HG PRO 2 2HG PRO 2 8.803 -10.532 7.025
306 1HD PRO 2 1HD PRO 2 9.436 -7.639 7.005
307 2HD PRO 2 2HD PRO 2 9.494 -8.931 5.718
308 H ARG 3 H ARG 3 6.837 -6.209 7.370
309 HA ARG 3 HA ARG 3 4.689 -5.329 8.930
310 1HB ARG 3 1HB ARG 3 6.001 -4.211 6.504
311 2HB ARG 3 2HB ARG 3 4.722 -3.285 7.214
312 1HG ARG 3 1HG ARG 3 7.114 -4.308 8.741
313 2HG ARG 3 2HG ARG 3 6.985 -2.621 7.887
314 1HD ARG 3 1HD ARG 3 4.958 -2.147 9.157
315 2HD ARG 3 2HD ARG 3 5.256 -3.574 10.143
316 HE ARG 3 HE ARG 3 7.595 -2.082 10.299
317 1HH1 ARG 3 2HH1 ARG 3 4.298 -1.788 11.298
318 2HH1 ARG 3 1HH1 ARG 3 4.743 -1.469 12.997
319 1HH2 ARG 3 2HH2 ARG 3 8.026 -0.880 12.247
320 2HH2 ARG 3 1HH2 ARG 3 6.889 -1.043 13.432
321 H ARG 4 H ARG 4 4.368 -6.688 5.728
322 HA ARG 4 HA ARG 4 2.337 -5.146 4.880
323 1HB ARG 4 1HB ARG 4 2.057 -6.495 2.991
324 2HB ARG 4 2HB ARG 4 3.752 -6.888 3.448
325 1HG ARG 4 1HG ARG 4 1.438 -8.767 4.212
326 2HG ARG 4 2HG ARG 4 2.371 -8.919 2.776
327 1HD ARG 4 1HD ARG 4 3.171 -10.437 4.220
328 2HD ARG 4 2HD ARG 4 4.397 -9.134 4.174
329 HE ARG 4 HE ARG 4 4.128 -8.975 6.446
330 1HH1 ARG 4 2HH1 ARG 4 1.215 -10.393 5.220
331 2HH1 ARG 4 1HH1 ARG 4 0.634 -10.802 6.776
332 1HH2 ARG 4 2HH2 ARG 4 3.176 -9.473 8.479
333 2HH2 ARG 4 1HH2 ARG 4 1.841 -10.708 8.431
334 H THR 5 H THR 5 0.071 -5.419 4.472
335 HA THR 5 HA THR 5 -1.196 -7.211 6.639
336 HB THR 5 HB THR 5 -1.254 -4.874 7.383
337 HG1 THR 5 HG1 THR 5 -3.038 -5.199 8.177
338 1HG2 THR 5 1HG2 THR 5 -1.805 -3.846 5.013
339 2HG2 THR 5 2HG2 THR 5 -2.820 -3.379 6.440
340 3HG2 THR 5 3HG2 THR 5 -3.350 -4.589 5.232
341 H ARG 6 H ARG 6 -3.960 -7.234 6.049
342 HA ARG 6 HA ARG 6 -4.218 -7.735 3.075
343 1HB ARG 6 1HB ARG 6 -4.709 -9.663 5.382
344 2HB ARG 6 2HB ARG 6 -5.295 -9.903 3.659
345 1HG ARG 6 1HG ARG 6 -2.957 -9.690 2.873
346 2HG ARG 6 2HG ARG 6 -2.369 -9.703 4.430
347 1HD ARG 6 1HD ARG 6 -4.111 -11.858 3.050
348 2HD ARG 6 2HD ARG 6 -2.400 -11.988 3.331
349 HE ARG 6 HE ARG 6 -3.235 -11.816 5.923
350 1HH1 ARG 6 2HH1 ARG 6 -5.275 -13.437 3.514
351 2HH1 ARG 6 1HH1 ARG 6 -6.243 -13.966 4.897
352 1HH2 ARG 6 2HH2 ARG 6 -4.539 -12.686 7.353
353 2HH2 ARG 6 1HH2 ARG 6 -5.585 -14.013 6.910
354 H THR 7 H THR 7 -6.132 -7.146 2.342
355 HA THR 7 HA THR 7 -8.511 -7.157 4.081
356 HB THR 7 HB THR 7 -7.536 -4.505 2.904
357 HG1 THR 7 HG1 THR 7 -7.690 -5.572 5.415
358 1HG2 THR 7 1HG2 THR 7 -10.240 -5.340 4.306
359 2HG2 THR 7 2HG2 THR 7 -10.126 -4.917 2.620
360 3HG2 THR 7 3HG2 THR 7 -9.741 -3.737 3.934
361 H THR 8 H THR 8 -9.908 -8.124 2.744
362 HA THR 8 HA THR 8 -9.955 -8.133 -0.240
363 HB THR 8 HB THR 8 -11.648 -9.700 1.706
364 HG1 THR 8 HG1 THR 8 -9.853 -10.349 2.016
365 1HG2 THR 8 1HG2 THR 8 -12.399 -9.368 -0.886
366 2HG2 THR 8 2HG2 THR 8 -12.373 -10.926 -0.022
367 3HG2 THR 8 3HG2 THR 8 -11.059 -10.665 -0.979
368 H PHE 9 H PHE 9 -10.603 -6.220 -1.078
369 HA PHE 9 HA PHE 9 -12.625 -4.588 0.035
370 1HB PHE 9 1HB PHE 9 -11.239 -4.601 -2.462
371 2HB PHE 9 2HB PHE 9 -12.679 -3.603 -2.349
372 HD1 PHE 9 HD1 PHE 9 -9.693 -4.502 -0.108
373 HD2 PHE 9 HD2 PHE 9 -12.229 -1.490 -1.682
374 HE1 PHE 9 HE1 PHE 9 -8.279 -2.746 1.013
375 HE2 PHE 9 HE2 PHE 9 -10.706 0.318 -0.743
376 HZ PHE 9 HZ PHE 9 -8.715 -0.320 0.505
377 H THR 10 H THR 10 -14.640 -4.038 -1.122
378 HA THR 10 HA THR 10 -16.176 -6.232 -2.509
379 HB THR 10 HB THR 10 -17.880 -6.466 -1.158
380 HG1 THR 10 HG1 THR 10 -18.197 -4.979 0.531
381 1HG2 THR 10 1HG2 THR 10 -15.882 -6.062 0.943
382 2HG2 THR 10 2HG2 THR 10 -16.054 -7.392 -0.096
383 3HG2 THR 10 3HG2 THR 10 -17.503 -6.971 0.936
384 H SER 11 H SER 11 -17.842 -5.541 -3.764
385 HA SER 11 HA SER 11 -17.568 -3.147 -5.130
386 1HB SER 11 1HB SER 11 -20.035 -4.786 -4.733
387 2HB SER 11 2HB SER 11 -19.840 -3.527 -5.969
388 HG SER 11 HG SER 11 -19.042 -4.870 -7.096
389 H SER 12 H SER 12 -19.689 -3.677 -2.225
390 HA SER 12 HA SER 12 -20.973 -1.113 -2.097
391 1HB SER 12 1HB SER 12 -20.042 -2.964 0.147
392 2HB SER 12 2HB SER 12 -21.236 -1.729 0.311
393 HG SER 12 HG SER 12 -22.411 -2.738 -1.353
394 H GLN 13 H GLN 13 -17.705 -2.137 -0.972
395 HA GLN 13 HA GLN 13 -17.027 0.218 0.481
396 1HB GLN 13 1HB GLN 13 -15.158 -1.808 -0.629
397 2HB GLN 13 2HB GLN 13 -14.782 -0.419 0.471
398 1HG GLN 13 1HG GLN 13 -16.630 -1.234 2.031
399 2HG GLN 13 2HG GLN 13 -16.661 -2.697 1.016
400 1HE2 GLN 13 1HE2 GLN 13 -15.431 -1.535 3.766
401 2HE2 GLN 13 2HE2 GLN 13 -14.066 -2.739 3.897
402 H ILE 14 H ILE 14 -16.169 -1.076 -2.703
403 HA ILE 14 HA ILE 14 -14.712 1.179 -3.643
404 HB ILE 14 HB ILE 14 -16.222 -0.874 -5.211
405 1HG1 ILE 14 1HG1 ILE 14 -13.292 -0.687 -4.481
406 2HG1 ILE 14 2HG1 ILE 14 -14.372 -1.586 -3.446
407 1HG2 ILE 14 1HG2 ILE 14 -14.069 1.305 -5.931
408 2HG2 ILE 14 2HG2 ILE 14 -14.298 -0.053 -6.975
409 3HG2 ILE 14 3HG2 ILE 14 -15.649 1.024 -6.609
410 1HD1 ILE 14 1HD1 ILE 14 -15.000 -3.128 -5.231
411 2HD1 ILE 14 2HD1 ILE 14 -13.844 -2.306 -6.265
412 3HD1 ILE 14 3HD1 ILE 14 -13.306 -3.299 -4.881
413 H ALA 15 H ALA 15 -18.197 0.637 -3.622
414 HA ALA 15 HA ALA 15 -19.010 2.829 -5.384
415 1HB ALA 15 1HB ALA 15 -20.360 0.727 -5.028
416 2HB ALA 15 2HB ALA 15 -20.256 1.061 -3.303
417 3HB ALA 15 3HB ALA 15 -21.133 2.152 -4.434
418 H GLU 16 H GLU 16 -18.656 2.318 -1.647
419 HA GLU 16 HA GLU 16 -19.585 5.013 -1.171
420 1HB GLU 16 1HB GLU 16 -18.220 2.804 0.330
421 2HB GLU 16 2HB GLU 16 -17.865 4.525 0.877
422 1HG GLU 16 1HG GLU 16 -20.079 2.808 0.980
423 2HG GLU 16 2HG GLU 16 -19.120 3.525 2.355
424 H LEU 17 H LEU 17 -16.284 3.494 -1.455
425 HA LEU 17 HA LEU 17 -15.104 5.747 -0.659
426 1HB LEU 17 1HB LEU 17 -14.040 3.334 -2.219
427 2HB LEU 17 2HB LEU 17 -12.955 4.538 -1.895
428 HG LEU 17 HG LEU 17 -14.418 3.322 0.403
429 1HD1 LEU 17 1HD1 LEU 17 -11.963 2.308 -0.844
430 2HD1 LEU 17 2HD1 LEU 17 -13.439 1.431 -0.390
431 3HD1 LEU 17 3HD1 LEU 17 -12.351 2.135 0.898
432 1HD2 LEU 17 1HD2 LEU 17 -12.844 5.533 0.440
433 2HD2 LEU 17 2HD2 LEU 17 -11.584 4.291 0.231
434 3HD2 LEU 17 3HD2 LEU 17 -12.702 4.307 1.678
435 H GLU 18 H GLU 18 -15.849 4.621 -4.030
436 HA GLU 18 HA GLU 18 -14.828 6.771 -5.382
437 1HB GLU 18 1HB GLU 18 -17.124 4.883 -5.766
438 2HB GLU 18 2HB GLU 18 -16.734 6.261 -6.886
439 1HG GLU 18 1HG GLU 18 -14.509 5.498 -7.313
440 2HG GLU 18 2HG GLU 18 -14.893 3.996 -6.417
441 H GLN 19 H GLN 19 -18.169 6.448 -3.767
442 HA GLN 19 HA GLN 19 -19.017 8.887 -4.381
443 1HB GLN 19 1HB GLN 19 -19.414 7.629 -1.761
444 2HB GLN 19 2HB GLN 19 -20.170 9.102 -2.283
445 1HG GLN 19 1HG GLN 19 -20.614 6.367 -3.706
446 2HG GLN 19 2HG GLN 19 -21.778 7.306 -2.774
447 1HE2 GLN 19 1HE2 GLN 19 -20.275 7.198 -5.900
448 2HE2 GLN 19 2HE2 GLN 19 -21.389 8.342 -6.593
449 H HIS 20 H HIS 20 -17.242 8.566 -1.390
450 HA HIS 20 HA HIS 20 -17.007 11.349 -0.891
451 1HB HIS 20 1HB HIS 20 -15.646 8.895 0.165
452 2HB HIS 20 2HB HIS 20 -15.384 10.548 0.716
453 HD1 HIS 20 HD1 HIS 20 -17.617 11.831 1.354
454 HD2 HIS 20 HD2 HIS 20 -18.043 7.714 0.950
455 HE1 HIS 20 HE1 HIS 20 -20.174 11.392 1.726
456 H PHE 21 H PHE 21 -14.664 9.060 -2.381
457 HA PHE 21 HA PHE 21 -12.621 10.996 -3.131
458 1HB PHE 21 1HB PHE 21 -12.170 8.718 -3.858
459 2HB PHE 21 2HB PHE 21 -13.645 8.424 -4.483
460 HD1 PHE 21 HD1 PHE 21 -14.633 9.377 -6.577
461 HD2 PHE 21 HD2 PHE 21 -10.417 10.099 -5.402
462 HE1 PHE 21 HE1 PHE 21 -13.942 9.786 -8.941
463 HE2 PHE 21 HE2 PHE 21 -9.885 10.471 -7.722
464 HZ PHE 21 HZ PHE 21 -11.591 10.504 -9.460
465 H LEU 22 H LEU 22 -15.806 10.651 -4.753
466 HA LEU 22 HA LEU 22 -15.367 12.467 -6.832
467 1HB LEU 22 1HB LEU 22 -17.930 12.659 -5.326
468 2HB LEU 22 2HB LEU 22 -17.725 12.862 -7.012
469 HG LEU 22 HG LEU 22 -17.919 10.190 -5.751
470 1HD1 LEU 22 1HD1 LEU 22 -19.966 10.083 -7.191
471 2HD1 LEU 22 2HD1 LEU 22 -19.596 11.738 -7.812
472 3HD1 LEU 22 3HD1 LEU 22 -20.017 11.478 -6.129
473 1HD2 LEU 22 1HD2 LEU 22 -17.653 10.716 -8.772
474 2HD2 LEU 22 2HD2 LEU 22 -17.491 9.164 -8.004
475 3HD2 LEU 22 3HD2 LEU 22 -16.194 10.426 -7.890
476 H GLN 23 H GLN 23 -16.079 13.214 -3.377
477 HA GLN 23 HA GLN 23 -16.245 16.125 -3.739
478 1HB GLN 23 1HB GLN 23 -15.659 14.541 -1.310
479 2HB GLN 23 2HB GLN 23 -16.571 16.045 -1.271
480 1HG GLN 23 1HG GLN 23 -17.305 13.195 -1.830
481 2HG GLN 23 2HG GLN 23 -18.095 14.320 -0.731
482 1HE2 GLN 23 1HE2 GLN 23 -18.925 12.524 -3.366
483 2HE2 GLN 23 2HE2 GLN 23 -20.185 13.557 -3.952
484 H GLY 24 H GLY 24 -13.615 13.759 -3.406
485 1HA GLY 24 1HA GLY 24 -11.657 15.879 -2.699
486 2HA GLY 24 2HA GLY 24 -12.072 14.676 -1.435
487 H ARG 25 H ARG 25 -11.043 14.969 -4.889
488 HA ARG 25 HA ARG 25 -10.526 12.245 -5.314
489 1HB ARG 25 1HB ARG 25 -9.486 14.810 -6.507
490 2HB ARG 25 2HB ARG 25 -9.151 13.097 -7.166
491 1HG ARG 25 1HG ARG 25 -11.728 12.950 -7.424
492 2HG ARG 25 2HG ARG 25 -11.635 14.735 -7.050
493 1HD ARG 25 1HD ARG 25 -10.133 13.478 -9.311
494 2HD ARG 25 2HD ARG 25 -11.818 13.929 -9.510
495 HE ARG 25 HE ARG 25 -9.534 15.776 -9.047
496 1HH1 ARG 25 2HH1 ARG 25 -13.015 15.664 -9.448
497 2HH1 ARG 25 1HH1 ARG 25 -13.021 17.371 -9.486
498 1HH2 ARG 25 2HH2 ARG 25 -9.821 17.873 -9.297
499 2HH2 ARG 25 1HH2 ARG 25 -11.403 18.430 -9.768
500 H TYR 26 H TYR 26 -8.576 14.104 -3.356
501 HA TYR 26 HA TYR 26 -6.548 11.910 -3.124
502 1HB TYR 26 1HB TYR 26 -5.755 14.860 -2.918
503 2HB TYR 26 2HB TYR 26 -4.665 13.489 -3.012
504 HD1 TYR 26 HD1 TYR 26 -6.870 15.569 -5.141
505 HD2 TYR 26 HD2 TYR 26 -3.903 12.441 -5.107
506 HE1 TYR 26 HE1 TYR 26 -6.827 15.685 -7.490
507 HE2 TYR 26 HE2 TYR 26 -3.635 12.652 -7.455
508 HH TYR 26 HH TYR 26 -4.376 13.601 -9.367
509 H LEU 27 H LEU 27 -6.099 11.193 -1.277
510 HA LEU 27 HA LEU 27 -7.909 12.088 0.904
511 1HB LEU 27 1HB LEU 27 -5.424 10.341 0.735
512 2HB LEU 27 2HB LEU 27 -6.231 10.698 2.206
513 HG LEU 27 HG LEU 27 -7.313 9.140 -0.100
514 1HD1 LEU 27 1HD1 LEU 27 -7.386 7.298 1.336
515 2HD1 LEU 27 2HD1 LEU 27 -7.041 8.372 2.786
516 3HD1 LEU 27 3HD1 LEU 27 -5.769 8.128 1.654
517 1HD2 LEU 27 1HD2 LEU 27 -9.273 10.347 0.878
518 2HD2 LEU 27 2HD2 LEU 27 -8.789 10.102 2.514
519 3HD2 LEU 27 3HD2 LEU 27 -9.357 8.742 1.625
520 H THR 28 H THR 28 -7.563 12.935 2.614
521 HA THR 28 HA THR 28 -4.950 13.782 3.598
522 HB THR 28 HB THR 28 -6.124 15.891 4.578
523 HG1 THR 28 HG1 THR 28 -8.145 16.378 3.672
524 1HG2 THR 28 1HG2 THR 28 -6.205 15.618 1.506
525 2HG2 THR 28 2HG2 THR 28 -4.848 16.179 2.536
526 3HG2 THR 28 3HG2 THR 28 -6.184 17.136 2.371
527 H ALA 29 H ALA 29 -5.099 13.802 6.142
528 HA ALA 29 HA ALA 29 -6.235 11.739 7.351
529 1HB ALA 29 1HB ALA 29 -5.745 13.339 9.467
530 2HB ALA 29 2HB ALA 29 -4.485 13.142 8.322
531 3HB ALA 29 3HB ALA 29 -5.592 14.583 8.193
532 HA PRO 30 HA PRO 30 -10.326 14.008 8.547
533 1HB PRO 30 1HB PRO 30 -11.029 15.841 6.325
534 2HB PRO 30 2HB PRO 30 -10.770 16.236 8.119
535 1HG PRO 30 1HG PRO 30 -9.069 16.525 5.657
536 2HG PRO 30 2HG PRO 30 -8.982 17.414 7.083
537 1HD PRO 30 1HD PRO 30 -7.262 15.498 6.417
538 2HD PRO 30 2HD PRO 30 -7.655 15.796 8.121
539 H ARG 31 H ARG 31 -9.618 14.015 4.972
540 HA ARG 31 HA ARG 31 -12.066 12.669 4.208
541 1HB ARG 31 1HB ARG 31 -9.287 12.781 3.028
542 2HB ARG 31 2HB ARG 31 -10.415 11.526 2.426
543 1HG ARG 31 1HG ARG 31 -10.585 13.082 0.945
544 2HG ARG 31 2HG ARG 31 -12.106 13.209 2.066
545 1HD ARG 31 1HD ARG 31 -11.597 15.541 1.715
546 2HD ARG 31 2HD ARG 31 -10.634 15.184 3.107
547 HE ARG 31 HE ARG 31 -8.976 14.573 0.948
548 1HH1 ARG 31 2HH1 ARG 31 -10.835 17.494 1.709
549 2HH1 ARG 31 1HH1 ARG 31 -10.016 18.299 0.400
550 1HH2 ARG 31 2HH2 ARG 31 -8.125 15.687 -0.609
551 2HH2 ARG 31 1HH2 ARG 31 -8.272 17.418 -0.514
552 H LEU 32 H LEU 32 -8.883 11.129 4.596
553 HA LEU 32 HA LEU 32 -9.533 8.468 4.273
554 1HB LEU 32 1HB LEU 32 -7.175 9.784 4.522
555 2HB LEU 32 2HB LEU 32 -7.518 9.852 6.267
556 HG LEU 32 HG LEU 32 -6.766 7.628 4.561
557 1HD1 LEU 32 1HD1 LEU 32 -5.690 9.123 6.978
558 2HD1 LEU 32 2HD1 LEU 32 -5.106 9.316 5.391
559 3HD1 LEU 32 3HD1 LEU 32 -4.800 7.765 6.241
560 1HD2 LEU 32 1HD2 LEU 32 -7.540 7.487 7.542
561 2HD2 LEU 32 2HD2 LEU 32 -6.600 6.257 6.630
562 3HD2 LEU 32 3HD2 LEU 32 -8.277 6.509 6.100
563 H ALA 33 H ALA 33 -9.566 10.149 7.464
564 HA ALA 33 HA ALA 33 -10.250 7.829 8.915
565 1HB ALA 33 1HB ALA 33 -10.781 9.534 10.727
566 2HB ALA 33 2HB ALA 33 -9.279 10.009 10.074
567 3HB ALA 33 3HB ALA 33 -10.755 10.827 9.602
568 H ASP 34 H ASP 34 -12.328 10.464 7.482
569 HA ASP 34 HA ASP 34 -14.811 9.703 8.687
570 1HB ASP 34 1HB ASP 34 -14.293 11.951 7.563
571 2HB ASP 34 2HB ASP 34 -14.458 11.095 6.011
572 H LEU 35 H LEU 35 -13.218 8.894 5.485
573 HA LEU 35 HA LEU 35 -15.188 6.926 4.833
574 1HB LEU 35 1HB LEU 35 -12.777 7.948 3.721
575 2HB LEU 35 2HB LEU 35 -12.729 6.232 3.638
576 HG LEU 35 HG LEU 35 -14.342 5.999 2.141
577 1HD1 LEU 35 1HD1 LEU 35 -16.261 7.237 3.321
578 2HD1 LEU 35 2HD1 LEU 35 -16.197 7.460 1.633
579 3HD1 LEU 35 3HD1 LEU 35 -15.610 8.786 2.816
580 1HD2 LEU 35 1HD2 LEU 35 -13.942 7.626 0.299
581 2HD2 LEU 35 2HD2 LEU 35 -12.540 7.432 1.291
582 3HD2 LEU 35 3HD2 LEU 35 -13.473 8.890 1.566
583 H SER 36 H SER 36 -11.987 6.510 6.417
584 HA SER 36 HA SER 36 -11.979 3.860 6.681
585 1HB SER 36 1HB SER 36 -10.040 5.026 7.307
586 2HB SER 36 2HB SER 36 -10.873 5.796 8.648
587 HG SER 36 HG SER 36 -10.583 2.952 8.340
588 H ALA 37 H ALA 37 -13.717 5.979 8.712
589 HA ALA 37 HA ALA 37 -15.049 4.086 10.596
590 1HB ALA 37 1HB ALA 37 -14.611 6.381 10.984
591 2HB ALA 37 2HB ALA 37 -15.552 6.881 9.654
592 3HB ALA 37 3HB ALA 37 -16.396 6.039 11.027
593 H LYS 38 H LYS 38 -16.115 5.819 7.515
594 HA LYS 38 HA LYS 38 -18.738 4.667 7.806
595 1HB LYS 38 1HB LYS 38 -18.179 6.903 6.558
596 2HB LYS 38 2HB LYS 38 -17.644 5.919 5.313
597 1HG LYS 38 1HG LYS 38 -19.793 4.992 4.781
598 2HG LYS 38 2HG LYS 38 -20.678 5.781 6.076
599 1HD LYS 38 1HD LYS 38 -18.959 7.285 4.133
600 2HD LYS 38 2HD LYS 38 -20.692 7.129 3.805
601 1HE LYS 38 1HE LYS 38 -21.292 8.129 5.930
602 2HE LYS 38 2HE LYS 38 -19.639 8.344 6.331
603 1HZ LYS 38 1HZ LYS 38 -19.548 9.711 4.141
604 2HZ LYS 38 2HZ LYS 38 -20.413 10.371 5.427
605 3HZ LYS 38 3HZ LYS 38 -21.141 9.808 4.134
606 H LEU 39 H LEU 39 -16.066 3.916 5.605
607 HA LEU 39 HA LEU 39 -17.314 1.574 4.446
608 1HB LEU 39 1HB LEU 39 -14.599 2.846 4.643
609 2HB LEU 39 2HB LEU 39 -14.611 1.404 3.818
610 HG LEU 39 HG LEU 39 -14.692 3.299 2.353
611 1HD1 LEU 39 1HD1 LEU 39 -17.354 1.857 2.357
612 2HD1 LEU 39 2HD1 LEU 39 -15.907 1.021 1.835
613 3HD1 LEU 39 3HD1 LEU 39 -16.377 2.368 0.894
614 1HD2 LEU 39 1HD2 LEU 39 -15.798 4.804 3.721
615 2HD2 LEU 39 2HD2 LEU 39 -17.406 4.244 3.381
616 3HD2 LEU 39 3HD2 LEU 39 -16.510 4.903 2.091
617 H ALA 40 H ALA 40 -15.920 2.142 7.456
618 HA ALA 40 HA ALA 40 -14.998 0.819 9.096
619 1HB ALA 40 1HB ALA 40 -17.323 0.044 9.133
620 2HB ALA 40 2HB ALA 40 -16.785 -1.370 8.068
621 3HB ALA 40 3HB ALA 40 -16.196 -1.123 9.709
622 H LEU 41 H LEU 41 -13.075 1.168 7.378
623 HA LEU 41 HA LEU 41 -11.701 -1.325 7.867
624 1HB LEU 41 1HB LEU 41 -10.638 -1.399 5.619
625 2HB LEU 41 2HB LEU 41 -12.269 -2.054 5.806
626 HG LEU 41 HG LEU 41 -13.253 -0.294 4.418
627 1HD1 LEU 41 1HD1 LEU 41 -11.609 1.600 5.236
628 2HD1 LEU 41 2HD1 LEU 41 -12.140 1.555 3.595
629 3HD1 LEU 41 3HD1 LEU 41 -10.521 0.913 4.010
630 1HD2 LEU 41 1HD2 LEU 41 -11.799 -0.719 2.282
631 2HD2 LEU 41 2HD2 LEU 41 -12.245 -2.059 3.277
632 3HD2 LEU 41 3HD2 LEU 41 -10.682 -1.505 3.516
633 H GLY 42 H GLY 42 -9.381 -1.018 7.541
634 1HA GLY 42 1HA GLY 42 -8.429 0.653 9.310
635 2HA GLY 42 2HA GLY 42 -7.400 -0.207 8.189
636 H THR 43 H THR 43 -7.015 2.534 9.155
637 HA THR 43 HA THR 43 -7.456 4.414 7.071
638 HB THR 43 HB THR 43 -5.428 5.642 8.075
639 HG1 THR 43 HG1 THR 43 -4.745 4.614 10.085
640 1HG2 THR 43 1HG2 THR 43 -6.588 6.351 9.891
641 2HG2 THR 43 2HG2 THR 43 -7.426 4.757 10.191
642 3HG2 THR 43 3HG2 THR 43 -7.900 5.801 8.864
643 H ALA 44 H ALA 44 -4.980 2.123 7.144
644 HA ALA 44 HA ALA 44 -3.202 3.216 5.024
645 1HB ALA 44 1HB ALA 44 -3.506 0.247 5.696
646 2HB ALA 44 2HB ALA 44 -2.202 0.967 4.809
647 3HB ALA 44 3HB ALA 44 -2.541 1.329 6.604
648 H GLN 45 H GLN 45 -5.902 0.835 5.194
649 HA GLN 45 HA GLN 45 -6.020 0.146 2.647
650 1HB GLN 45 1HB GLN 45 -8.269 0.394 4.589
651 2HB GLN 45 2HB GLN 45 -8.543 -0.287 3.062
652 1HG GLN 45 1HG GLN 45 -8.248 -1.935 4.423
653 2HG GLN 45 2HG GLN 45 -6.855 -2.072 3.411
654 1HE2 GLN 45 1HE2 GLN 45 -7.826 -2.889 6.133
655 2HE2 GLN 45 2HE2 GLN 45 -6.682 -2.409 7.373
656 H VAL 46 H VAL 46 -7.352 3.145 3.989
657 HA VAL 46 HA VAL 46 -9.101 3.609 1.766
658 HB VAL 46 HB VAL 46 -8.065 5.710 3.629
659 1HG1 VAL 46 1HG1 VAL 46 -9.521 6.500 1.624
660 2HG1 VAL 46 2HG1 VAL 46 -10.791 5.371 2.185
661 3HG1 VAL 46 3HG1 VAL 46 -10.462 6.768 3.113
662 1HG2 VAL 46 1HG2 VAL 46 -9.082 4.098 5.227
663 2HG2 VAL 46 2HG2 VAL 46 -10.254 5.372 4.973
664 3HG2 VAL 46 3HG2 VAL 46 -10.427 3.846 4.076
665 H LYS 47 H LYS 47 -5.995 4.943 2.961
666 HA LYS 47 HA LYS 47 -5.070 6.497 0.840
667 1HB LYS 47 1HB LYS 47 -3.483 5.013 2.910
668 2HB LYS 47 2HB LYS 47 -2.674 5.951 1.748
669 1HG LYS 47 1HG LYS 47 -3.694 8.094 2.537
670 2HG LYS 47 2HG LYS 47 -4.837 7.071 3.531
671 1HD LYS 47 1HD LYS 47 -1.887 7.593 3.790
672 2HD LYS 47 2HD LYS 47 -3.226 8.193 4.784
673 1HE LYS 47 1HE LYS 47 -3.651 5.843 5.538
674 2HE LYS 47 2HE LYS 47 -2.161 5.380 4.748
675 1HZ LYS 47 1HZ LYS 47 -1.328 5.723 6.689
676 2HZ LYS 47 2HZ LYS 47 -2.322 6.912 7.275
677 3HZ LYS 47 3HZ LYS 47 -1.178 7.259 6.243
678 H ILE 48 H ILE 48 -4.353 3.085 1.144
679 HA ILE 48 HA ILE 48 -2.894 2.730 -1.302
680 HB ILE 48 HB ILE 48 -4.511 0.774 0.315
681 1HG1 ILE 48 1HG1 ILE 48 -1.494 1.416 0.347
682 2HG1 ILE 48 2HG1 ILE 48 -2.689 2.147 1.484
683 1HG2 ILE 48 1HG2 ILE 48 -2.740 -0.801 -0.657
684 2HG2 ILE 48 2HG2 ILE 48 -3.872 -0.273 -1.765
685 3HG2 ILE 48 3HG2 ILE 48 -2.291 0.483 -1.740
686 1HD1 ILE 48 1HD1 ILE 48 -3.095 0.028 2.579
687 2HD1 ILE 48 2HD1 ILE 48 -2.154 -0.853 1.361
688 3HD1 ILE 48 3HD1 ILE 48 -1.352 0.217 2.481
689 H TRP 49 H TRP 49 -6.444 2.442 -0.535
690 HA TRP 49 HA TRP 49 -7.017 1.445 -3.222
691 1HB TRP 49 1HB TRP 49 -8.639 1.142 -1.493
692 2HB TRP 49 2HB TRP 49 -8.749 2.866 -1.195
693 HD1 TRP 49 HD1 TRP 49 -9.214 0.263 -4.019
694 HE1 TRP 49 HE1 TRP 49 -11.316 1.171 -5.535
695 HE3 TRP 49 HE3 TRP 49 -9.729 5.049 -2.299
696 HZ2 TRP 49 HZ2 TRP 49 -12.919 3.391 -5.684
697 HZ3 TRP 49 HZ3 TRP 49 -11.365 6.661 -3.400
698 HH2 TRP 49 HH2 TRP 49 -12.940 5.899 -4.962
699 H PHE 50 H PHE 50 -7.200 4.828 -1.902
700 HA PHE 50 HA PHE 50 -7.780 5.959 -4.282
701 1HB PHE 50 1HB PHE 50 -6.351 7.009 -1.794
702 2HB PHE 50 2HB PHE 50 -6.293 7.956 -3.318
703 HD1 PHE 50 HD1 PHE 50 -8.168 9.653 -3.653
704 HD2 PHE 50 HD2 PHE 50 -8.695 6.296 -0.892
705 HE1 PHE 50 HE1 PHE 50 -10.362 10.517 -2.855
706 HE2 PHE 50 HE2 PHE 50 -10.748 7.311 -0.073
707 HZ PHE 50 HZ PHE 50 -11.669 9.300 -1.131
708 H LYS 51 H LYS 51 -4.460 5.116 -3.173
709 HA LYS 51 HA LYS 51 -3.033 6.145 -5.458
710 1HB LYS 51 1HB LYS 51 -2.487 4.126 -3.321
711 2HB LYS 51 2HB LYS 51 -1.462 4.337 -4.622
712 1HG LYS 51 1HG LYS 51 -0.985 6.623 -4.048
713 2HG LYS 51 2HG LYS 51 -2.434 6.830 -3.181
714 1HD LYS 51 1HD LYS 51 -0.118 6.727 -2.154
715 2HD LYS 51 2HD LYS 51 -1.603 6.095 -1.269
716 1HE LYS 51 1HE LYS 51 -0.569 4.056 -1.061
717 2HE LYS 51 2HE LYS 51 -0.280 3.895 -2.731
718 1HZ LYS 51 1HZ LYS 51 1.892 4.035 -1.379
719 2HZ LYS 51 2HZ LYS 51 1.282 5.325 -0.562
720 3HZ LYS 51 3HZ LYS 51 1.817 5.575 -1.966
721 H ASN 52 H ASN 52 -3.765 2.644 -4.801
722 HA ASN 52 HA ASN 52 -3.036 2.039 -7.351
723 1HB ASN 52 1HB ASN 52 -3.897 -0.128 -7.173
724 2HB ASN 52 2HB ASN 52 -3.235 0.434 -5.613
725 1HD2 ASN 52 1HD2 ASN 52 -4.557 -0.855 -4.257
726 2HD2 ASN 52 2HD2 ASN 52 -6.289 -0.841 -4.131
727 H ARG 53 H ARG 53 -6.409 3.015 -6.512
728 HA ARG 53 HA ARG 53 -7.738 2.621 -8.926
729 1HB ARG 53 1HB ARG 53 -8.762 3.559 -6.775
730 2HB ARG 53 2HB ARG 53 -7.802 5.038 -7.042
731 1HG ARG 53 1HG ARG 53 -8.714 5.635 -9.084
732 2HG ARG 53 2HG ARG 53 -9.818 4.415 -9.111
733 1HD ARG 53 1HD ARG 53 -10.933 5.295 -6.885
734 2HD ARG 53 2HD ARG 53 -9.514 6.503 -7.024
735 HE ARG 53 HE ARG 53 -10.671 7.545 -8.672
736 1HH1 ARG 53 2HH1 ARG 53 -12.160 4.266 -8.519
737 2HH1 ARG 53 1HH1 ARG 53 -13.414 4.746 -9.557
738 1HH2 ARG 53 2HH2 ARG 53 -12.347 8.054 -9.811
739 2HH2 ARG 53 1HH2 ARG 53 -13.472 6.775 -10.307
740 H ARG 54 H ARG 54 -5.887 5.564 -8.035
741 HA ARG 54 HA ARG 54 -6.143 6.816 -10.543
742 1HB ARG 54 1HB ARG 54 -4.240 7.236 -8.206
743 2HB ARG 54 2HB ARG 54 -3.892 7.956 -9.867
744 1HG ARG 54 1HG ARG 54 -4.913 9.619 -8.634
745 2HG ARG 54 2HG ARG 54 -5.982 9.172 -9.898
746 1HD ARG 54 1HD ARG 54 -7.686 8.905 -8.502
747 2HD ARG 54 2HD ARG 54 -6.763 7.648 -7.652
748 HE ARG 54 HE ARG 54 -7.363 10.150 -6.575
749 1HH1 ARG 54 2HH1 ARG 54 -4.068 8.481 -6.743
750 2HH1 ARG 54 1HH1 ARG 54 -4.001 8.494 -5.103
751 1HH2 ARG 54 2HH2 ARG 54 -6.488 10.764 -4.656
752 2HH2 ARG 54 1HH2 ARG 54 -5.004 10.074 -4.009
753 H ARG 55 H ARG 55 -3.323 4.972 -9.396
754 HA ARG 55 HA ARG 55 -1.916 4.743 -11.927
755 1HB ARG 55 1HB ARG 55 -2.289 2.778 -9.697
756 2HB ARG 55 2HB ARG 55 -1.373 2.367 -11.074
757 1HG ARG 55 1HG ARG 55 -0.532 4.840 -9.292
758 2HG ARG 55 2HG ARG 55 -0.011 3.145 -9.205
759 1HD ARG 55 1HD ARG 55 0.221 4.858 -11.690
760 2HD ARG 55 2HD ARG 55 1.456 4.847 -10.470
761 HE ARG 55 HE ARG 55 1.131 3.029 -12.555
762 1HH1 ARG 55 2HH1 ARG 55 1.973 2.768 -9.123
763 2HH1 ARG 55 1HH1 ARG 55 3.258 1.620 -9.535
764 1HH2 ARG 55 2HH2 ARG 55 1.776 1.079 -12.691
765 2HH2 ARG 55 1HH2 ARG 55 2.809 0.342 -11.556
766 H ARG 56 H ARG 56 -4.432 2.396 -10.950
767 HA ARG 56 HA ARG 56 -4.753 1.118 -13.432
768 1HB ARG 56 1HB ARG 56 -5.583 0.533 -11.293
769 2HB ARG 56 2HB ARG 56 -6.829 1.770 -11.431
770 1HG ARG 56 1HG ARG 56 -7.634 0.450 -13.468
771 2HG ARG 56 2HG ARG 56 -6.312 -0.646 -13.307
772 1HD ARG 56 1HD ARG 56 -8.547 -0.172 -11.239
773 2HD ARG 56 2HD ARG 56 -8.446 -1.632 -12.285
774 HE ARG 56 HE ARG 56 -6.600 -2.359 -11.140
775 1HH1 ARG 56 2HH1 ARG 56 -7.727 0.595 -9.555
776 2HH1 ARG 56 1HH1 ARG 56 -7.050 0.054 -7.994
777 1HH2 ARG 56 2HH2 ARG 56 -6.008 -3.038 -8.965
778 2HH2 ARG 56 1HH2 ARG 56 -6.162 -1.738 -7.815
779 H HIS 57 H HIS 57 -6.321 4.124 -12.511
780 HA HIS 57 HA HIS 57 -8.001 4.259 -14.772
781 1HB HIS 57 1HB HIS 57 -7.482 5.948 -12.458
782 2HB HIS 57 2HB HIS 57 -8.117 6.855 -13.856
783 HD1 HIS 57 HD1 HIS 57 -10.828 6.674 -13.993
784 HD2 HIS 57 HD2 HIS 57 -8.913 3.588 -11.757
785 HE1 HIS 57 HE1 HIS 57 -12.597 5.417 -13.094
786 H LYS 58 H LYS 58 -4.988 6.176 -13.797
787 HA LYS 58 HA LYS 58 -4.864 7.476 -16.232
788 1HB LYS 58 1HB LYS 58 -2.884 8.415 -15.501
789 2HB LYS 58 2HB LYS 58 -3.840 8.119 -14.055
790 1HG LYS 58 1HG LYS 58 -2.454 6.032 -13.648
791 2HG LYS 58 2HG LYS 58 -1.491 6.470 -15.093
792 1HD LYS 58 1HD LYS 58 -0.239 7.175 -13.415
793 2HD LYS 58 2HD LYS 58 -0.886 8.594 -14.198
794 1HE LYS 58 1HE LYS 58 -2.336 7.447 -11.906
795 2HE LYS 58 2HE LYS 58 -0.698 7.923 -11.559
796 1HZ LYS 58 1HZ LYS 58 -2.088 9.867 -11.056
797 2HZ LYS 58 2HZ LYS 58 -2.682 9.868 -12.556
798 3HZ LYS 58 3HZ LYS 58 -1.104 10.153 -12.324
799 H ILE 59 H ILE 59 -3.381 4.476 -15.430
800 HA ILE 59 HA ILE 59 -2.043 4.006 -18.036
801 HB ILE 59 HB ILE 59 -3.034 2.172 -15.936
802 1HG1 ILE 59 1HG1 ILE 59 -0.168 2.855 -16.479
803 2HG1 ILE 59 2HG1 ILE 59 -1.194 3.808 -15.466
804 1HG2 ILE 59 1HG2 ILE 59 -2.714 0.799 -18.105
805 2HG2 ILE 59 2HG2 ILE 59 -1.170 1.707 -18.456
806 3HG2 ILE 59 3HG2 ILE 59 -1.338 0.436 -17.215
807 1HD1 ILE 59 1HD1 ILE 59 0.073 1.243 -15.045
808 2HD1 ILE 59 2HD1 ILE 59 -0.510 2.354 -13.834
809 3HD1 ILE 59 3HD1 ILE 59 -1.753 1.337 -14.411
810 H GLN 60 H GLN 60 -5.250 2.636 -16.939
811 HA GLN 60 HA GLN 60 -5.953 1.758 -19.708
812 1HB GLN 60 1HB GLN 60 -7.856 2.273 -17.606
813 2HB GLN 60 2HB GLN 60 -8.139 1.384 -19.022
814 1HG GLN 60 1HG GLN 60 -6.092 -0.122 -18.684
815 2HG GLN 60 2HG GLN 60 -5.853 0.499 -17.072
816 1HE2 GLN 60 1HE2 GLN 60 -6.616 -1.322 -15.784
817 2HE2 GLN 60 2HE2 GLN 60 -8.315 -1.820 -16.070
818 H SER 61 H SER 61 -6.289 4.860 -18.206
819 HA SER 61 HA SER 61 -7.688 6.127 -20.441
820 1HB SER 61 1HB SER 61 -5.764 7.369 -18.326
821 2HB SER 61 2HB SER 61 -6.733 8.318 -19.540
822 HG SER 61 HG SER 61 -7.631 6.559 -17.590
823 H ASP 62 H ASP 62 -4.546 4.552 -20.619
824 HA ASP 62 HA ASP 62 -3.735 6.378 -22.886
825 1HB ASP 62 1HB ASP 62 -2.582 6.836 -20.704
826 2HB ASP 62 2HB ASP 62 -1.928 5.138 -20.810
827 H GLN 63 H GLN 63 -4.053 3.186 -21.499
828 HA GLN 63 HA GLN 63 -2.850 1.874 -23.864
829 1HB GLN 63 1HB GLN 63 -3.144 0.883 -20.933
830 2HB GLN 63 2HB GLN 63 -2.233 0.111 -22.261
831 1HG GLN 63 1HG GLN 63 -0.716 2.187 -22.175
832 2HG GLN 63 2HG GLN 63 -1.597 2.588 -20.658
833 1HE2 GLN 63 1HE2 GLN 63 0.914 2.281 -19.998
834 2HE2 GLN 63 2HE2 GLN 63 1.389 0.666 -19.499
835 H HIS 64 H HIS 64 -5.812 2.458 -22.376
836 HA HIS 64 HA HIS 64 -7.087 0.132 -23.722
837 1HB HIS 64 1HB HIS 64 -6.506 -0.546 -21.348
838 2HB HIS 64 2HB HIS 64 -7.639 0.706 -20.796
839 HD1 HIS 64 HD1 HIS 64 -9.526 -0.857 -19.789
840 HD2 HIS 64 HD2 HIS 64 -8.467 -1.801 -23.736
841 HE1 HIS 64 HE1 HIS 64 -10.967 -2.690 -20.409
842 H LYS 65 H LYS 65 -9.586 0.326 -23.399
843 HA LYS 65 HA LYS 65 -10.317 3.120 -23.904
844 1HB LYS 65 1HB LYS 65 -9.972 1.516 -25.814
845 2HB LYS 65 2HB LYS 65 -11.523 0.793 -25.438
846 1HG LYS 65 1HG LYS 65 -12.504 3.280 -25.612
847 2HG LYS 65 2HG LYS 65 -10.913 3.668 -26.086
848 1HD LYS 65 1HD LYS 65 -12.409 3.415 -27.972
849 2HD LYS 65 2HD LYS 65 -10.958 2.314 -28.095
850 1HE LYS 65 1HE LYS 65 -12.479 0.562 -27.095
851 2HE LYS 65 2HE LYS 65 -13.861 1.676 -27.265
852 1HZ LYS 65 1HZ LYS 65 -13.505 0.059 -28.965
853 2HZ LYS 65 2HZ LYS 65 -12.009 0.567 -29.280
854 3HZ LYS 65 3HZ LYS 65 -13.268 1.544 -29.693
855 H ASP 66 H ASP 66 -10.570 1.426 -21.498
856 HA ASP 66 HA ASP 66 -13.271 2.090 -20.662
857 1HB ASP 66 1HB ASP 66 -13.045 -0.394 -21.683
858 2HB ASP 66 2HB ASP 66 -12.914 -0.729 -19.914
859 H GLN 67 H GLN 67 -13.650 1.482 -18.381
860 HA GLN 67 HA GLN 67 -13.095 1.797 -16.278
861 1HB GLN 67 1HB GLN 67 -12.429 -0.567 -16.551
862 2HB GLN 67 2HB GLN 67 -10.764 0.100 -16.786
863 1HG GLN 67 1HG GLN 67 -11.325 -0.797 -14.624
864 2HG GLN 67 2HG GLN 67 -10.655 0.845 -14.476
865 1HE2 GLN 67 1HE2 GLN 67 -11.918 2.375 -13.063
866 2HE2 GLN 67 2HE2 GLN 67 -13.445 1.870 -12.534
867 H SER 68 H SER 68 -12.845 3.850 -17.092
868 HA SER 68 HA SER 68 -10.325 5.093 -16.240
869 1HB SER 68 1HB SER 68 -11.292 5.158 -19.197
870 2HB SER 68 2HB SER 68 -10.045 6.278 -18.508
871 HG SER 68 HG SER 68 -9.676 3.526 -17.938
Start of MODEL 8
1 1H5* G 69 1H5* G 69 8.815 -23.151 -14.906
2 2H5* G 69 2H5* G 69 7.444 -23.011 -13.773
3 H4* G 69 H4* G 69 7.407 -23.207 -16.728
4 H3* G 69 H3* G 69 8.536 -21.107 -15.647
5 H1* G 69 H1* G 69 4.570 -20.951 -15.787
6 H8 G 69 H8 G 69 5.852 -21.946 -12.245
7 H1 G 69 H1 G 69 -0.479 -21.038 -12.985
8 1H2 G 69 1H2 G 69 0.655 -19.501 -15.843
9 2H2 G 69 2H2 G 69 -0.729 -19.833 -14.820
10 H5T G 69 H5T G 69 8.085 -25.246 -14.229
11 1H2* G 69 1H2* G 69 6.931 -20.783 -13.897
12 2H2* G 69 2H2* G 69 6.359 -19.534 -14.857
13 1H5* C 70 1H5* C 70 5.028 -19.528 -18.341
14 2H5* C 70 2H5* C 70 5.808 -18.497 -19.633
15 H4* C 70 H4* C 70 3.600 -18.009 -19.831
16 H3* C 70 H3* C 70 5.283 -16.029 -19.079
17 H1* C 70 H1* C 70 1.997 -16.434 -17.193
18 1H4 C 70 1H4 C 70 3.897 -18.560 -11.190
19 2H4 C 70 2H4 C 70 2.315 -17.775 -11.136
20 H5 C 70 H5 C 70 5.309 -18.390 -13.200
21 H6 C 70 H6 C 70 5.075 -17.647 -15.507
22 1H2* C 70 1H2* C 70 4.991 -15.986 -16.867
23 2H2* C 70 2H2* C 70 3.702 -14.828 -17.362
24 1H5* T 71 1H5* T 71 1.042 -14.647 -19.703
25 2H5* T 71 2H5* T 71 0.603 -12.930 -20.284
26 H4* T 71 H4* T 71 -0.575 -13.370 -18.171
27 H3* T 71 H3* T 71 1.643 -11.420 -18.335
28 1H2* T 71 1H2* T 71 1.995 -11.386 -16.057
29 2H2* T 71 2H2* T 71 0.262 -11.049 -15.764
30 H1* T 71 H1* T 71 -0.247 -13.190 -15.601
31 H3 T 71 H3 T 71 1.389 -14.913 -11.809
32 1H5M T 71 1H5M T 71 5.604 -14.157 -15.200
33 2H5M T 71 2H5M T 71 5.693 -13.193 -13.639
34 3H5M T 71 3H5M T 71 5.788 -14.905 -13.576
35 H6 T 71 H6 T 71 3.370 -13.320 -15.925
36 1H5* C 72 1H5* C 72 -2.552 -10.901 -16.691
37 2H5* C 72 2H5* C 72 -3.383 -9.406 -16.915
38 H4* C 72 H4* C 72 -3.901 -10.128 -14.624
39 H3* C 72 H3* C 72 -2.450 -7.691 -15.128
40 H1* C 72 H1* C 72 -2.159 -10.171 -12.038
41 1H4 C 72 1H4 C 72 4.225 -11.820 -12.074
42 2H4 C 72 2H4 C 72 3.580 -12.243 -10.514
43 H5 C 72 H5 C 72 3.029 -10.574 -13.717
44 H6 C 72 H6 C 72 0.917 -9.631 -14.321
45 1H2* C 72 1H2* C 72 -0.727 -8.117 -13.687
46 2H2* C 72 2H2* C 72 -2.040 -7.917 -12.348
47 1H5* T 73 1H5* T 73 -4.482 -8.642 -11.395
48 2H5* T 73 2H5* T 73 -5.841 -7.520 -11.018
49 H4* T 73 H4* T 73 -5.025 -8.041 -9.072
50 H3* T 73 H3* T 73 -4.591 -5.428 -9.691
51 1H2* T 73 1H2* T 73 -2.448 -5.914 -10.400
52 2H2* T 73 2H2* T 73 -2.128 -5.206 -8.725
53 H1* T 73 H1* T 73 -2.175 -7.611 -7.890
54 H3 T 73 H3 T 73 2.030 -8.996 -7.684
55 1H5M T 73 1H5M T 73 2.806 -6.465 -11.733
56 2H5M T 73 2H5M T 73 1.944 -7.762 -12.580
57 3H5M T 73 3H5M T 73 1.060 -6.222 -12.261
58 H6 T 73 H6 T 73 -0.550 -6.512 -10.924
59 1H5* A 74 1H5* A 74 -5.128 -7.313 -4.923
60 2H5* A 74 2H5* A 74 -6.496 -6.521 -4.201
61 H4* A 74 H4* A 74 -4.652 -6.598 -2.570
62 H3* A 74 H3* A 74 -5.608 -4.116 -3.187
63 H1* A 74 H1* A 74 -1.907 -4.992 -2.424
64 H8 A 74 H8 A 74 -2.776 -3.839 -6.084
65 1H6 A 74 1H6 A 74 3.078 -5.695 -7.297
66 2H6 A 74 2H6 A 74 1.756 -4.757 -8.075
67 H2 A 74 H2 A 74 2.313 -6.710 -3.294
68 1H2* A 74 1H2* A 74 -3.690 -3.279 -4.173
69 2H2* A 74 2H2* A 74 -3.260 -2.934 -2.521
70 1H5* A 75 1H5* A 75 -4.066 -4.184 1.368
71 2H5* A 75 2H5* A 75 -3.614 -2.779 2.213
72 H4* A 75 H4* A 75 -1.935 -4.686 1.701
73 H3* A 75 H3* A 75 -1.501 -2.096 2.641
74 H1* A 75 H1* A 75 0.771 -3.899 0.211
75 H8 A 75 H8 A 75 -1.345 -1.407 -1.771
76 1H6 A 75 1H6 A 75 3.044 -2.317 -6.104
77 2H6 A 75 2H6 A 75 1.387 -1.811 -5.649
78 H2 A 75 H2 A 75 4.433 -4.172 -2.347
79 1H2* A 75 1H2* A 75 -0.649 -1.330 0.696
80 2H2* A 75 2H2* A 75 0.871 -2.008 1.504
81 1H5* T 76 1H5* T 76 2.438 -4.479 2.286
82 2H5* T 76 2H5* T 76 3.262 -4.544 3.908
83 H4* T 76 H4* T 76 5.025 -4.295 2.675
84 H3* T 76 H3* T 76 4.376 -2.206 4.322
85 1H2* T 76 1H2* T 76 3.538 -0.697 2.688
86 2H2* T 76 2H2* T 76 5.341 -0.370 2.583
87 H1* T 76 H1* T 76 5.731 -1.595 0.859
88 H3 T 76 H3 T 76 4.686 -0.168 -3.167
89 1H5M T 76 1H5M T 76 0.465 1.049 -1.726
90 2H5M T 76 2H5M T 76 0.334 0.717 0.071
91 3H5M T 76 3H5M T 76 1.059 2.186 -0.563
92 H6 T 76 H6 T 76 2.251 -0.197 1.003
93 1H5* C 77 1H5* C 77 9.149 -2.439 2.949
94 2H5* C 77 2H5* C 77 10.022 -1.613 4.251
95 H4* C 77 H4* C 77 11.076 -1.255 2.002
96 H3* C 77 H3* C 77 10.755 0.710 3.928
97 H1* C 77 H1* C 77 9.922 1.125 0.217
98 1H4 C 77 1H4 C 77 3.713 3.275 -0.534
99 2H4 C 77 2H4 C 77 4.295 2.919 -2.198
100 H5 C 77 H5 C 77 4.779 2.248 1.445
101 H6 C 77 H6 C 77 6.917 1.486 2.255
102 1H2* C 77 1H2* C 77 8.794 1.567 2.998
103 2H2* C 77 2H2* C 77 9.933 2.599 2.081
104 1H5* C 78 1H5* C 78 13.131 1.862 -0.368
105 2H5* C 78 2H5* C 78 14.569 2.510 0.225
106 H4* C 78 H4* C 78 14.100 3.371 -2.097
107 H3* C 78 H3* C 78 14.601 5.308 -0.094
108 H1* C 78 H1* C 78 11.844 5.392 -3.004
109 1H4 C 78 1H4 C 78 6.482 5.248 0.826
110 2H4 C 78 2H4 C 78 5.901 5.421 -0.858
111 H5 C 78 H5 C 78 8.618 4.595 1.325
112 H6 C 78 H6 C 78 10.901 4.674 0.549
113 1H2* C 78 1H2* C 78 12.513 6.403 -0.127
114 2H2* C 78 2H2* C 78 12.979 6.962 -1.736
115 1H5* C 79 1H5* C 79 14.020 6.318 -4.263
116 2H5* C 79 2H5* C 79 15.329 7.176 -4.882
117 H4* C 79 H4* C 79 13.550 7.949 -6.083
118 H3* C 79 H3* C 79 14.905 9.987 -4.733
119 H1* C 79 H1* C 79 11.024 9.855 -4.981
120 1H4 C 79 1H4 C 79 8.160 8.798 0.770
121 2H4 C 79 2H4 C 79 7.045 9.429 -0.457
122 H5 C 79 H5 C 79 10.507 8.504 0.161
123 H6 C 79 H6 C 79 12.126 8.574 -1.781
124 1H2* C 79 1H2* C 79 13.257 10.112 -2.968
125 2H2* C 79 2H2* C 79 12.607 11.343 -4.185
126 1H5* C 80 1H5* C 80 10.832 11.025 -7.172
127 2H5* C 80 2H5* C 80 11.568 11.970 -8.433
128 H4* C 80 H4* C 80 9.436 12.794 -8.150
129 H3* C 80 H3* C 80 11.296 14.524 -7.948
130 H1* C 80 H1* C 80 8.524 14.593 -5.416
131 1H4 C 80 1H4 C 80 10.495 12.231 0.494
132 2H4 C 80 2H4 C 80 8.774 12.536 0.564
133 H5 C 80 H5 C 80 11.806 12.443 -1.550
134 H6 C 80 H6 C 80 11.753 13.287 -3.807
135 1H2* C 80 1H2* C 80 11.507 14.590 -5.395
136 2H2* C 80 2H2* C 80 10.435 15.860 -5.665
137 1H5* G 81 1H5* G 81 7.065 16.547 -7.024
138 2H5* G 81 2H5* G 81 7.231 18.194 -7.789
139 H4* G 81 H4* G 81 6.246 18.534 -5.703
140 H3* G 81 H3* G 81 8.716 19.857 -6.412
141 H1* G 81 H1* G 81 7.352 18.925 -3.121
142 H8 G 81 H8 G 81 10.664 17.198 -3.143
143 H1 G 81 H1 G 81 6.978 15.385 1.780
144 1H2 G 81 1H2 G 81 4.461 16.930 -0.124
145 2H2 G 81 2H2 G 81 4.949 16.113 1.332
146 H3T G 81 H3T G 81 8.092 21.306 -4.884
147 1H2* G 81 1H2* G 81 9.854 18.403 -4.747
148 2H2* G 81 2H2* G 81 9.466 19.916 -3.831
149 1H5* C 82 1H5* C 82 0.932 16.153 7.732
150 2H5* C 82 2H5* C 82 -0.034 14.865 7.932
151 H4* C 82 H4* C 82 0.781 15.101 5.484
152 H3* C 82 H3* C 82 1.291 12.368 6.813
153 H1* C 82 H1* C 82 2.458 14.504 3.904
154 1H4 C 82 1H4 C 82 8.915 13.118 4.212
155 2H4 C 82 2H4 C 82 8.596 14.225 2.901
156 H5 C 82 H5 C 82 7.096 12.316 5.675
157 H6 C 82 H6 C 82 4.640 12.478 6.115
158 H5T C 82 H5T C 82 2.866 14.805 8.207
159 1H2* C 82 1H2* C 82 2.648 11.874 5.416
160 2H2* C 82 2H2* C 82 1.645 12.454 3.989
161 1H5* G 83 1H5* G 83 -1.439 12.996 3.206
162 2H5* G 83 2H5* G 83 -2.634 11.766 2.637
163 H4* G 83 H4* G 83 -1.630 12.613 0.823
164 H3* G 83 H3* G 83 -1.804 9.929 1.085
165 H1* G 83 H1* G 83 1.176 11.633 -0.335
166 H8 G 83 H8 G 83 2.190 10.490 3.079
167 H1 G 83 H1 G 83 6.692 12.776 -0.874
168 1H2 G 83 1H2 G 83 4.013 14.066 -2.668
169 2H2 G 83 2H2 G 83 5.724 13.626 -2.539
170 1H2* G 83 1H2* G 83 0.586 9.691 1.876
171 2H2* G 83 2H2* G 83 0.643 9.420 0.082
172 1H5* G 84 1H5* G 84 -2.387 12.108 -3.168
173 2H5* G 84 2H5* G 84 -3.118 10.923 -4.159
174 H4* G 84 H4* G 84 -1.649 12.701 -5.157
175 H3* G 84 H3* G 84 -1.930 10.171 -6.091
176 H1* G 84 H1* G 84 1.582 11.608 -5.630
177 H8 G 84 H8 G 84 0.381 9.708 -2.595
178 H1 G 84 H1 G 84 6.772 10.245 -2.802
179 1H2 G 84 1H2 G 84 6.103 11.390 -5.942
180 2H2 G 84 2H2 G 84 7.289 11.207 -4.668
181 1H2* G 84 1H2* G 84 -0.105 9.241 -4.799
182 2H2* G 84 2H2* G 84 0.836 9.580 -6.322
183 1H5* G 85 1H5* G 85 1.678 11.028 -8.335
184 2H5* G 85 2H5* G 85 1.495 10.923 -10.042
185 H4* G 85 H4* G 85 3.225 9.777 -9.836
186 H3* G 85 H3* G 85 1.236 7.774 -10.332
187 H1* G 85 H1* G 85 3.978 7.271 -7.975
188 H8 G 85 H8 G 85 0.959 7.288 -5.642
189 H1 G 85 H1 G 85 6.607 6.779 -2.690
190 1H2 G 85 1H2 G 85 7.822 6.896 -5.952
191 2H2 G 85 2H2 G 85 8.192 7.044 -4.266
192 1H2* G 85 1H2* G 85 0.889 7.278 -7.883
193 2H2* G 85 2H2* G 85 1.925 6.018 -8.421
194 1H5* G 86 1H5* G 86 5.841 7.344 -9.446
195 2H5* G 86 2H5* G 86 6.575 8.334 -10.649
196 H4* G 86 H4* G 86 8.479 7.216 -10.190
197 H3* G 86 H3* G 86 7.456 5.527 -12.141
198 H1* G 86 H1* G 86 7.957 3.878 -8.693
199 H8 G 86 H8 G 86 4.364 4.864 -9.235
200 H1 G 86 H1 G 86 6.310 3.209 -3.151
201 1H2 G 86 1H2 G 86 9.318 3.273 -4.886
202 2H2 G 86 2H2 G 86 8.448 2.885 -3.380
203 1H2* G 86 1H2* G 86 5.982 4.210 -10.784
204 2H2* G 86 2H2* G 86 7.508 3.284 -10.782
205 1H5* A 87 1H5* A 87 10.490 3.316 -9.554
206 2H5* A 87 2H5* A 87 11.731 2.617 -10.590
207 H4* A 87 H4* A 87 11.441 1.047 -8.797
208 H3* A 87 H3* A 87 10.507 0.019 -11.268
209 H1* A 87 H1* A 87 8.879 -0.426 -8.068
210 H8 A 87 H8 A 87 6.209 1.163 -10.283
211 1H6 A 87 1H6 A 87 2.883 0.733 -4.999
212 2H6 A 87 2H6 A 87 2.830 0.912 -6.746
213 H2 A 87 H2 A 87 7.161 0.125 -4.054
214 1H2* A 87 1H2* A 87 8.416 0.607 -10.883
215 2H2* A 87 2H2* A 87 8.493 -1.115 -10.294
216 1H5* T 88 1H5* T 88 11.641 -0.328 -6.923
217 2H5* T 88 2H5* T 88 13.241 -1.079 -6.331
218 H4* T 88 H4* T 88 11.665 -1.745 -4.633
219 H3* T 88 H3* T 88 12.586 -3.753 -6.427
220 1H2* T 88 1H2* T 88 10.590 -4.301 -7.141
221 2H2* T 88 2H2* T 88 10.384 -5.055 -5.462
222 H1* T 88 H1* T 88 9.567 -3.336 -4.455
223 H3 T 88 H3 T 88 4.980 -2.955 -5.062
224 1H5M T 88 1H5M T 88 5.901 -3.828 -9.803
225 2H5M T 88 2H5M T 88 5.987 -2.102 -9.658
226 3H5M T 88 3H5M T 88 7.470 -3.044 -9.922
227 H6 T 88 H6 T 88 8.752 -3.165 -7.988
228 1H5* T 89 1H5* T 89 10.745 -4.081 -1.952
229 2H5* T 89 2H5* T 89 11.577 -5.312 -1.064
230 H4* T 89 H4* T 89 9.157 -5.331 -0.525
231 H3* T 89 H3* T 89 10.639 -7.725 -1.149
232 1H2* T 89 1H2* T 89 9.644 -7.919 -3.156
233 2H2* T 89 2H2* T 89 8.566 -8.879 -2.145
234 H1* T 89 H1* T 89 7.037 -7.093 -1.811
235 H3 T 89 H3 T 89 4.027 -6.272 -5.014
236 1H5M T 89 1H5M T 89 7.605 -7.414 -8.189
237 2H5M T 89 2H5M T 89 7.536 -5.702 -8.180
238 3H5M T 89 3H5M T 89 8.869 -6.428 -7.384
239 H6 T 89 H6 T 89 8.814 -6.907 -5.109
240 1H5* A 90 1H5* A 90 6.397 -7.788 0.428
241 2H5* A 90 2H5* A 90 6.450 -8.552 2.019
242 H4* A 90 H4* A 90 4.362 -9.088 1.239
243 H3* A 90 H3* A 90 6.056 -11.373 1.450
244 H1* A 90 H1* A 90 3.582 -10.821 -1.324
245 H8 A 90 H8 A 90 7.163 -10.518 -2.825
246 1H6 A 90 1H6 A 90 4.106 -9.281 -8.117
247 2H6 A 90 2H6 A 90 5.677 -9.671 -7.397
248 H2 A 90 H2 A 90 1.173 -9.695 -4.859
249 1H2* A 90 1H2* A 90 6.547 -11.190 -0.883
250 2H2* A 90 2H2* A 90 5.348 -12.466 -0.961
251 1H5* G 91 1H5* G 91 1.815 -11.946 0.468
252 2H5* G 91 2H5* G 91 1.088 -13.310 1.257
253 H4* G 91 H4* G 91 -0.032 -12.862 -0.760
254 H3* G 91 H3* G 91 1.548 -15.360 -0.623
255 H1* G 91 H1* G 91 -0.015 -13.039 -3.294
256 H8 G 91 H8 G 91 3.738 -13.414 -3.289
257 H1 G 91 H1 G 91 1.422 -12.144 -9.120
258 1H2 G 91 1H2 G 91 -1.381 -11.764 -7.250
259 2H2 G 91 2H2 G 91 -0.597 -11.637 -8.853
260 1H2* G 91 1H2* G 91 1.833 -15.411 -2.863
261 2H2* G 91 2H2* G 91 0.182 -15.294 -3.176
262 1H5* A 92 1H5* A 92 -2.779 -14.278 -2.338
263 2H5* A 92 2H5* A 92 -3.870 -15.602 -2.090
264 H4* A 92 H4* A 92 -4.236 -14.870 -4.274
265 H3* A 92 H3* A 92 -3.888 -17.432 -3.509
266 H1* A 92 H1* A 92 -2.719 -15.843 -6.639
267 H8 A 92 H8 A 92 0.423 -16.564 -4.648
268 1H6 A 92 1H6 A 92 3.384 -15.545 -10.056
269 2H6 A 92 2H6 A 92 3.637 -16.395 -8.544
270 H2 A 92 H2 A 92 -0.684 -14.585 -10.676
271 1H2* A 92 1H2* A 92 -1.457 -17.548 -4.429
272 2H2* A 92 2H2* A 92 -2.373 -18.063 -5.841
273 1H5* G 93 1H5* G 93 -5.256 -14.851 -6.484
274 2H5* G 93 2H5* G 93 -6.922 -14.133 -6.392
275 H4* G 93 H4* G 93 -6.438 -13.737 -8.598
276 H3* G 93 H3* G 93 -7.995 -16.114 -8.506
277 H1* G 93 H1* G 93 -4.782 -15.804 -10.835
278 H8 G 93 H8 G 93 -4.397 -17.955 -7.955
279 H1 G 93 H1 G 93 0.146 -18.247 -12.512
280 1H2 G 93 1H2 G 93 -1.899 -15.713 -13.843
281 2H2 G 93 2H2 G 93 -0.469 -16.718 -14.044
282 1H2* G 93 1H2* G 93 -6.129 -17.533 -8.712
283 2H2* G 93 2H2* G 93 -6.545 -17.340 -10.386
284 1H5* C 94 1H5* C 94 -6.439 -14.921 -12.559
285 2H5* C 94 2H5* C 94 -7.685 -14.846 -13.786
286 H4* C 94 H4* C 94 -5.637 -15.688 -14.935
287 H3* C 94 H3* C 94 -7.954 -17.403 -14.458
288 H1* C 94 H1* C 94 -4.402 -18.223 -15.027
289 1H4 C 94 1H4 C 94 -2.345 -21.414 -9.649
290 2H4 C 94 2H4 C 94 -1.239 -21.747 -11.095
291 H5 C 94 H5 C 94 -4.420 -20.433 -10.038
292 H6 C 94 H6 C 94 -5.676 -19.142 -11.534
293 H3T C 94 H3T C 94 -7.368 -16.543 -16.554
294 1H2* C 94 1H2* C 94 -6.952 -19.029 -13.466
295 2H2* C 94 2H2* C 94 -6.619 -19.488 -15.134
296 1H GLY 1 1H GLY 1 -1.602 -15.569 3.111
297 2H GLY 1 2H GLY 1 -0.618 -16.850 2.776
298 3H GLY 1 3H GLY 1 -1.099 -15.840 1.542
299 1HA GLY 1 1HA GLY 1 1.131 -15.314 2.126
300 2HA GLY 1 2HA GLY 1 -0.009 -14.033 2.615
301 HA PRO 2 HA PRO 2 1.746 -16.035 6.680
302 1HB PRO 2 1HB PRO 2 3.965 -17.300 6.661
303 2HB PRO 2 2HB PRO 2 2.666 -18.042 5.691
304 1HG PRO 2 1HG PRO 2 4.992 -16.450 4.614
305 2HG PRO 2 2HG PRO 2 4.347 -17.960 4.077
306 1HD PRO 2 1HD PRO 2 3.386 -15.615 3.018
307 2HD PRO 2 2HD PRO 2 2.431 -17.146 3.039
308 H ARG 3 H ARG 3 3.155 -13.719 4.816
309 HA ARG 3 HA ARG 3 4.493 -12.710 7.256
310 1HB ARG 3 1HB ARG 3 6.271 -13.724 5.682
311 2HB ARG 3 2HB ARG 3 5.390 -12.966 4.371
312 1HG ARG 3 1HG ARG 3 6.561 -11.012 6.312
313 2HG ARG 3 2HG ARG 3 7.659 -11.979 5.399
314 1HD ARG 3 1HD ARG 3 6.858 -11.352 3.361
315 2HD ARG 3 2HD ARG 3 5.506 -10.436 3.966
316 HE ARG 3 HE ARG 3 8.099 -9.421 3.427
317 1HH1 ARG 3 2HH1 ARG 3 5.951 -9.027 6.183
318 2HH1 ARG 3 1HH1 ARG 3 6.931 -7.581 6.572
319 1HH2 ARG 3 2HH2 ARG 3 8.790 -7.474 3.796
320 2HH2 ARG 3 1HH2 ARG 3 8.199 -6.676 5.245
321 H ARG 4 H ARG 4 2.402 -12.026 4.598
322 HA ARG 4 HA ARG 4 2.378 -9.218 4.746
323 1HB ARG 4 1HB ARG 4 0.047 -11.146 4.265
324 2HB ARG 4 2HB ARG 4 -0.091 -9.386 3.963
325 1HG ARG 4 1HG ARG 4 1.699 -11.308 2.441
326 2HG ARG 4 2HG ARG 4 0.155 -10.602 1.947
327 1HD ARG 4 1HD ARG 4 2.661 -9.122 2.628
328 2HD ARG 4 2HD ARG 4 2.267 -9.712 0.984
329 HE ARG 4 HE ARG 4 0.841 -8.098 0.477
330 1HH1 ARG 4 2HH1 ARG 4 1.958 -7.334 3.816
331 2HH1 ARG 4 1HH1 ARG 4 0.994 -5.917 3.866
332 1HH2 ARG 4 2HH2 ARG 4 -0.336 -6.376 0.737
333 2HH2 ARG 4 1HH2 ARG 4 -0.307 -5.298 2.122
334 H THR 5 H THR 5 0.698 -7.809 5.474
335 HA THR 5 HA THR 5 -0.117 -8.079 8.384
336 HB THR 5 HB THR 5 1.185 -5.736 8.358
337 HG1 THR 5 HG1 THR 5 1.736 -5.495 6.320
338 1HG2 THR 5 1HG2 THR 5 2.487 -8.428 8.615
339 2HG2 THR 5 2HG2 THR 5 2.125 -7.287 9.776
340 3HG2 THR 5 3HG2 THR 5 3.512 -7.052 8.522
341 H ARG 6 H ARG 6 -1.042 -5.909 8.916
342 HA ARG 6 HA ARG 6 -2.961 -4.659 8.828
343 1HB ARG 6 1HB ARG 6 -1.256 -3.406 7.929
344 2HB ARG 6 2HB ARG 6 -1.613 -3.761 6.310
345 1HG ARG 6 1HG ARG 6 -3.667 -2.460 6.314
346 2HG ARG 6 2HG ARG 6 -3.759 -2.499 7.996
347 1HD ARG 6 1HD ARG 6 -3.045 -0.270 7.071
348 2HD ARG 6 2HD ARG 6 -2.152 -0.959 8.417
349 HE ARG 6 HE ARG 6 -0.830 -1.389 5.910
350 1HH1 ARG 6 2HH1 ARG 6 -1.007 0.723 8.636
351 2HH1 ARG 6 1HH1 ARG 6 0.344 1.661 8.248
352 1HH2 ARG 6 2HH2 ARG 6 0.748 -0.561 5.436
353 2HH2 ARG 6 1HH2 ARG 6 1.505 0.861 6.100
354 H THR 7 H THR 7 -4.865 -3.989 7.604
355 HA THR 7 HA THR 7 -6.593 -5.893 6.659
356 HB THR 7 HB THR 7 -6.528 -3.177 5.533
357 HG1 THR 7 HG1 THR 7 -7.450 -3.468 8.128
358 1HG2 THR 7 1HG2 THR 7 -8.926 -4.699 6.735
359 2HG2 THR 7 2HG2 THR 7 -8.655 -4.447 5.005
360 3HG2 THR 7 3HG2 THR 7 -8.773 -3.064 6.146
361 H THR 8 H THR 8 -7.654 -6.268 4.731
362 HA THR 8 HA THR 8 -6.528 -5.392 2.234
363 HB THR 8 HB THR 8 -7.131 -8.359 2.808
364 HG1 THR 8 HG1 THR 8 -5.106 -8.424 2.654
365 1HG2 THR 8 1HG2 THR 8 -6.840 -6.757 0.091
366 2HG2 THR 8 2HG2 THR 8 -8.285 -7.777 0.697
367 3HG2 THR 8 3HG2 THR 8 -6.763 -8.504 0.193
368 H PHE 9 H PHE 9 -8.261 -4.199 1.581
369 HA PHE 9 HA PHE 9 -10.580 -4.311 2.798
370 1HB PHE 9 1HB PHE 9 -10.556 -3.464 -0.144
371 2HB PHE 9 2HB PHE 9 -11.484 -2.724 1.157
372 HD1 PHE 9 HD1 PHE 9 -8.845 -2.489 2.983
373 HD2 PHE 9 HD2 PHE 9 -9.758 -1.355 -1.138
374 HE1 PHE 9 HE1 PHE 9 -6.913 -0.862 2.987
375 HE2 PHE 9 HE2 PHE 9 -7.539 -0.084 -1.128
376 HZ PHE 9 HZ PHE 9 -6.218 0.090 0.831
377 H THR 10 H THR 10 -12.863 -4.523 1.988
378 HA THR 10 HA THR 10 -13.308 -7.056 0.542
379 HB THR 10 HB THR 10 -15.344 -7.413 1.700
380 HG1 THR 10 HG1 THR 10 -16.036 -5.968 3.148
381 1HG2 THR 10 1HG2 THR 10 -13.797 -6.813 4.011
382 2HG2 THR 10 2HG2 THR 10 -13.036 -7.961 2.907
383 3HG2 THR 10 3HG2 THR 10 -14.539 -8.335 3.649
384 H SER 11 H SER 11 -15.388 -7.138 -0.727
385 HA SER 11 HA SER 11 -15.956 -5.089 -2.520
386 1HB SER 11 1HB SER 11 -17.454 -7.365 -1.325
387 2HB SER 11 2HB SER 11 -18.209 -6.255 -2.560
388 HG SER 11 HG SER 11 -15.866 -7.149 -3.442
389 H SER 12 H SER 12 -17.246 -5.539 0.671
390 HA SER 12 HA SER 12 -19.250 -3.408 0.721
391 1HB SER 12 1HB SER 12 -17.778 -4.842 2.792
392 2HB SER 12 2HB SER 12 -19.073 -3.586 3.095
393 HG SER 12 HG SER 12 -19.302 -5.961 1.695
394 H GLN 13 H GLN 13 -15.922 -3.371 1.502
395 HA GLN 13 HA GLN 13 -15.739 -0.544 2.539
396 1HB GLN 13 1HB GLN 13 -13.620 -2.675 2.078
397 2HB GLN 13 2HB GLN 13 -13.289 -1.108 2.724
398 1HG GLN 13 1HG GLN 13 -15.112 -1.551 4.503
399 2HG GLN 13 2HG GLN 13 -15.127 -3.222 4.022
400 1HE2 GLN 13 1HE2 GLN 13 -14.161 -1.419 6.480
401 2HE2 GLN 13 2HE2 GLN 13 -12.659 -2.104 6.851
402 H ILE 14 H ILE 14 -14.609 -2.369 -0.321
403 HA ILE 14 HA ILE 14 -13.959 -0.215 -1.753
404 HB ILE 14 HB ILE 14 -15.061 -2.828 -2.835
405 1HG1 ILE 14 1HG1 ILE 14 -12.241 -1.791 -2.592
406 2HG1 ILE 14 2HG1 ILE 14 -12.986 -2.559 -1.233
407 1HG2 ILE 14 1HG2 ILE 14 -14.990 -0.843 -4.518
408 2HG2 ILE 14 2HG2 ILE 14 -13.292 -0.670 -4.219
409 3HG2 ILE 14 3HG2 ILE 14 -14.021 -2.221 -4.870
410 1HD1 ILE 14 1HD1 ILE 14 -11.618 -4.146 -2.499
411 2HD1 ILE 14 2HD1 ILE 14 -13.378 -4.626 -2.547
412 3HD1 ILE 14 3HD1 ILE 14 -12.571 -3.873 -3.914
413 H ALA 15 H ALA 15 -17.218 -1.405 -1.267
414 HA ALA 15 HA ALA 15 -18.622 0.311 -3.035
415 1HB ALA 15 1HB ALA 15 -19.719 -0.683 -0.359
416 2HB ALA 15 2HB ALA 15 -20.654 -0.322 -1.774
417 3HB ALA 15 3HB ALA 15 -19.645 -1.764 -1.801
418 H GLU 16 H GLU 16 -17.820 0.684 0.497
419 HA GLU 16 HA GLU 16 -19.103 3.297 0.887
420 1HB GLU 16 1HB GLU 16 -16.830 1.796 2.155
421 2HB GLU 16 2HB GLU 16 -17.120 3.545 2.498
422 1HG GLU 16 1HG GLU 16 -18.371 1.052 3.627
423 2HG GLU 16 2HG GLU 16 -17.916 2.500 4.319
424 H LEU 17 H LEU 17 -15.806 2.294 0.288
425 HA LEU 17 HA LEU 17 -14.480 4.689 0.014
426 1HB LEU 17 1HB LEU 17 -13.815 2.017 -1.434
427 2HB LEU 17 2HB LEU 17 -12.969 3.523 -1.627
428 HG LEU 17 HG LEU 17 -13.597 2.741 1.167
429 1HD1 LEU 17 1HD1 LEU 17 -12.393 0.658 0.260
430 2HD1 LEU 17 2HD1 LEU 17 -11.808 1.474 1.692
431 3HD1 LEU 17 3HD1 LEU 17 -10.942 1.641 0.160
432 1HD2 LEU 17 1HD2 LEU 17 -10.991 3.841 -0.058
433 2HD2 LEU 17 2HD2 LEU 17 -11.439 4.001 1.615
434 3HD2 LEU 17 3HD2 LEU 17 -12.417 4.826 0.338
435 H GLU 18 H GLU 18 -15.935 2.816 -2.832
436 HA GLU 18 HA GLU 18 -15.609 4.855 -4.625
437 1HB GLU 18 1HB GLU 18 -17.516 2.530 -4.403
438 2HB GLU 18 2HB GLU 18 -17.662 3.693 -5.808
439 1HG GLU 18 1HG GLU 18 -15.465 2.964 -6.585
440 2HG GLU 18 2HG GLU 18 -15.196 2.126 -5.030
441 H GLN 19 H GLN 19 -18.421 4.196 -2.520
442 HA GLN 19 HA GLN 19 -20.278 6.089 -3.483
443 1HB GLN 19 1HB GLN 19 -19.830 4.647 -0.979
444 2HB GLN 19 2HB GLN 19 -21.085 5.717 -0.812
445 1HG GLN 19 1HG GLN 19 -20.967 3.707 -3.118
446 2HG GLN 19 2HG GLN 19 -21.889 3.285 -1.727
447 1HE2 GLN 19 1HE2 GLN 19 -22.022 4.887 -4.576
448 2HE2 GLN 19 2HE2 GLN 19 -23.480 5.811 -4.418
449 H HIS 20 H HIS 20 -17.827 6.511 -1.000
450 HA HIS 20 HA HIS 20 -18.415 9.345 -0.760
451 1HB HIS 20 1HB HIS 20 -16.350 7.556 0.501
452 2HB HIS 20 2HB HIS 20 -16.395 9.328 0.765
453 HD1 HIS 20 HD1 HIS 20 -18.770 10.307 1.747
454 HD2 HIS 20 HD2 HIS 20 -18.149 6.168 2.185
455 HE1 HIS 20 HE1 HIS 20 -20.715 9.421 3.092
456 H PHE 21 H PHE 21 -15.833 7.429 -2.341
457 HA PHE 21 HA PHE 21 -14.482 9.470 -3.584
458 1HB PHE 21 1HB PHE 21 -13.705 7.569 -4.375
459 2HB PHE 21 2HB PHE 21 -15.268 6.762 -4.443
460 HD1 PHE 21 HD1 PHE 21 -16.382 6.464 -6.525
461 HD2 PHE 21 HD2 PHE 21 -13.202 9.355 -6.322
462 HE1 PHE 21 HE1 PHE 21 -16.774 7.097 -8.786
463 HE2 PHE 21 HE2 PHE 21 -13.621 9.943 -8.734
464 HZ PHE 21 HZ PHE 21 -15.416 8.823 -9.939
465 H LEU 22 H LEU 22 -17.843 8.366 -4.529
466 HA LEU 22 HA LEU 22 -18.420 10.057 -6.540
467 1HB LEU 22 1HB LEU 22 -20.490 9.826 -4.384
468 2HB LEU 22 2HB LEU 22 -20.636 10.146 -6.055
469 HG LEU 22 HG LEU 22 -19.888 7.480 -4.875
470 1HD1 LEU 22 1HD1 LEU 22 -22.193 8.052 -4.817
471 2HD1 LEU 22 2HD1 LEU 22 -22.024 6.885 -6.060
472 3HD1 LEU 22 3HD1 LEU 22 -22.223 8.667 -6.470
473 1HD2 LEU 22 1HD2 LEU 22 -19.981 6.676 -7.355
474 2HD2 LEU 22 2HD2 LEU 22 -18.639 7.880 -7.110
475 3HD2 LEU 22 3HD2 LEU 22 -20.069 8.419 -7.814
476 H GLN 23 H GLN 23 -17.819 11.017 -3.271
477 HA GLN 23 HA GLN 23 -18.913 13.734 -3.782
478 1HB GLN 23 1HB GLN 23 -17.661 12.568 -1.338
479 2HB GLN 23 2HB GLN 23 -18.645 14.114 -1.554
480 1HG GLN 23 1HG GLN 23 -19.540 11.255 -1.756
481 2HG GLN 23 2HG GLN 23 -19.891 12.416 -0.460
482 1HE2 GLN 23 1HE2 GLN 23 -21.763 10.978 -2.797
483 2HE2 GLN 23 2HE2 GLN 23 -22.771 12.331 -3.132
484 H GLY 24 H GLY 24 -15.678 12.156 -3.935
485 1HA GLY 24 1HA GLY 24 -14.242 14.702 -4.632
486 2HA GLY 24 2HA GLY 24 -13.846 13.889 -3.067
487 H ARG 25 H ARG 25 -12.826 14.178 -6.014
488 HA ARG 25 HA ARG 25 -12.793 11.516 -7.261
489 1HB ARG 25 1HB ARG 25 -11.107 14.065 -7.768
490 2HB ARG 25 2HB ARG 25 -10.963 12.681 -8.694
491 1HG ARG 25 1HG ARG 25 -12.190 13.898 -10.045
492 2HG ARG 25 2HG ARG 25 -13.497 12.975 -9.396
493 1HD ARG 25 1HD ARG 25 -14.164 14.777 -7.843
494 2HD ARG 25 2HD ARG 25 -12.817 15.831 -8.513
495 HE ARG 25 HE ARG 25 -15.353 15.374 -9.929
496 1HH1 ARG 25 2HH1 ARG 25 -12.059 16.851 -10.071
497 2HH1 ARG 25 1HH1 ARG 25 -12.546 17.675 -11.548
498 1HH2 ARG 25 2HH2 ARG 25 -15.665 16.584 -11.717
499 2HH2 ARG 25 1HH2 ARG 25 -14.411 17.526 -12.424
500 H TYR 26 H TYR 26 -10.749 13.042 -5.061
501 HA TYR 26 HA TYR 26 -9.492 10.522 -4.508
502 1HB TYR 26 1HB TYR 26 -7.249 11.040 -4.612
503 2HB TYR 26 2HB TYR 26 -7.987 11.177 -6.213
504 HD1 TYR 26 HD1 TYR 26 -8.897 13.899 -6.684
505 HD2 TYR 26 HD2 TYR 26 -5.586 12.284 -4.476
506 HE1 TYR 26 HE1 TYR 26 -7.787 16.024 -6.818
507 HE2 TYR 26 HE2 TYR 26 -4.338 14.308 -4.827
508 HH TYR 26 HH TYR 26 -4.597 16.550 -5.418
509 H LEU 27 H LEU 27 -7.843 11.203 -2.672
510 HA LEU 27 HA LEU 27 -9.479 12.836 -0.882
511 1HB LEU 27 1HB LEU 27 -9.170 11.541 0.846
512 2HB LEU 27 2HB LEU 27 -9.732 10.663 -0.575
513 HG LEU 27 HG LEU 27 -7.720 9.584 -0.858
514 1HD1 LEU 27 1HD1 LEU 27 -6.115 11.181 0.057
515 2HD1 LEU 27 2HD1 LEU 27 -5.888 9.547 0.749
516 3HD1 LEU 27 3HD1 LEU 27 -6.709 10.916 1.670
517 1HD2 LEU 27 1HD2 LEU 27 -9.562 8.950 1.024
518 2HD2 LEU 27 2HD2 LEU 27 -8.241 9.270 2.054
519 3HD2 LEU 27 3HD2 LEU 27 -8.139 7.914 0.803
520 H THR 28 H THR 28 -8.920 13.578 1.030
521 HA THR 28 HA THR 28 -6.435 15.054 1.035
522 HB THR 28 HB THR 28 -7.478 17.011 1.813
523 HG1 THR 28 HG1 THR 28 -9.721 17.058 1.008
524 1HG2 THR 28 1HG2 THR 28 -6.720 16.878 -0.506
525 2HG2 THR 28 2HG2 THR 28 -8.120 17.933 -0.378
526 3HG2 THR 28 3HG2 THR 28 -8.376 16.363 -1.035
527 H ALA 29 H ALA 29 -6.295 15.886 3.339
528 HA ALA 29 HA ALA 29 -6.601 13.738 5.266
529 1HB ALA 29 1HB ALA 29 -4.902 15.398 5.647
530 2HB ALA 29 2HB ALA 29 -6.117 16.675 5.922
531 3HB ALA 29 3HB ALA 29 -5.921 15.359 7.088
532 HA PRO 30 HA PRO 30 -10.880 15.431 6.756
533 1HB PRO 30 1HB PRO 30 -12.232 16.934 4.802
534 2HB PRO 30 2HB PRO 30 -11.426 17.529 6.291
535 1HG PRO 30 1HG PRO 30 -10.503 17.442 3.483
536 2HG PRO 30 2HG PRO 30 -10.375 18.790 4.644
537 1HD PRO 30 1HD PRO 30 -8.558 16.977 3.927
538 2HD PRO 30 2HD PRO 30 -8.359 17.634 5.578
539 H ARG 31 H ARG 31 -10.618 14.869 3.265
540 HA ARG 31 HA ARG 31 -12.970 13.153 2.900
541 1HB ARG 31 1HB ARG 31 -10.476 13.803 1.381
542 2HB ARG 31 2HB ARG 31 -11.363 12.144 1.106
543 1HG ARG 31 1HG ARG 31 -11.809 13.611 -0.569
544 2HG ARG 31 2HG ARG 31 -13.236 13.270 0.381
545 1HD ARG 31 1HD ARG 31 -12.344 15.526 1.773
546 2HD ARG 31 2HD ARG 31 -11.736 15.846 0.171
547 HE ARG 31 HE ARG 31 -14.497 15.660 1.026
548 1HH1 ARG 31 2HH2 ARG 31 -12.118 16.919 -1.477
549 2HH1 ARG 31 1HH2 ARG 31 -13.397 17.692 -2.333
550 1HH2 ARG 31 2HH1 ARG 31 -15.911 17.070 -0.239
551 2HH2 ARG 31 1HH1 ARG 31 -15.332 17.682 -1.741
552 H LEU 32 H LEU 32 -9.568 12.258 3.454
553 HA LEU 32 HA LEU 32 -9.866 9.660 3.758
554 1HB LEU 32 1HB LEU 32 -7.959 11.122 3.516
555 2HB LEU 32 2HB LEU 32 -7.993 11.332 5.296
556 HG LEU 32 HG LEU 32 -6.924 9.013 3.641
557 1HD1 LEU 32 1HD1 LEU 32 -5.924 11.090 5.619
558 2HD1 LEU 32 2HD1 LEU 32 -5.323 10.745 3.934
559 3HD1 LEU 32 3HD1 LEU 32 -5.028 9.655 5.383
560 1HD2 LEU 32 1HD2 LEU 32 -6.514 8.111 5.897
561 2HD2 LEU 32 2HD2 LEU 32 -8.243 7.962 5.423
562 3HD2 LEU 32 3HD2 LEU 32 -7.629 9.263 6.566
563 H ALA 33 H ALA 33 -10.228 11.905 6.550
564 HA ALA 33 HA ALA 33 -10.596 9.742 8.488
565 1HB ALA 33 1HB ALA 33 -11.295 12.626 8.579
566 2HB ALA 33 2HB ALA 33 -11.065 11.679 10.020
567 3HB ALA 33 3HB ALA 33 -9.631 11.959 9.051
568 H ASP 34 H ASP 34 -12.826 12.003 6.689
569 HA ASP 34 HA ASP 34 -15.340 11.039 7.593
570 1HB ASP 34 1HB ASP 34 -14.677 12.916 5.838
571 2HB ASP 34 2HB ASP 34 -15.000 11.545 4.690
572 H LEU 35 H LEU 35 -13.442 9.634 4.908
573 HA LEU 35 HA LEU 35 -15.163 7.353 4.766
574 1HB LEU 35 1HB LEU 35 -12.854 8.262 3.355
575 2HB LEU 35 2HB LEU 35 -12.558 6.653 3.894
576 HG LEU 35 HG LEU 35 -13.566 5.721 2.191
577 1HD1 LEU 35 1HD1 LEU 35 -15.817 5.614 1.754
578 2HD1 LEU 35 2HD1 LEU 35 -16.111 6.964 2.865
579 3HD1 LEU 35 3HD1 LEU 35 -15.505 5.387 3.471
580 1HD2 LEU 35 1HD2 LEU 35 -12.807 7.704 1.129
581 2HD2 LEU 35 2HD2 LEU 35 -14.523 8.333 1.340
582 3HD2 LEU 35 3HD2 LEU 35 -14.156 6.859 0.347
583 H SER 36 H SER 36 -12.311 7.898 6.779
584 HA SER 36 HA SER 36 -11.852 5.234 7.775
585 1HB SER 36 1HB SER 36 -10.544 7.283 8.464
586 2HB SER 36 2HB SER 36 -11.877 7.732 9.473
587 HG SER 36 HG SER 36 -10.602 5.164 9.800
588 H ALA 37 H ALA 37 -14.094 7.724 9.102
589 HA ALA 37 HA ALA 37 -15.409 6.265 10.995
590 1HB ALA 37 1HB ALA 37 -17.111 8.095 10.697
591 2HB ALA 37 2HB ALA 37 -15.334 8.489 10.963
592 3HB ALA 37 3HB ALA 37 -16.126 8.845 9.496
593 H LYS 38 H LYS 38 -16.292 6.697 7.460
594 HA LYS 38 HA LYS 38 -18.690 5.222 7.662
595 1HB LYS 38 1HB LYS 38 -17.152 6.204 5.237
596 2HB LYS 38 2HB LYS 38 -18.663 5.326 5.214
597 1HG LYS 38 1HG LYS 38 -18.193 7.889 6.872
598 2HG LYS 38 2HG LYS 38 -18.872 7.934 5.272
599 1HD LYS 38 1HD LYS 38 -20.278 6.401 7.485
600 2HD LYS 38 2HD LYS 38 -20.519 8.025 7.273
601 1HE LYS 38 1HE LYS 38 -21.131 7.505 4.702
602 2HE LYS 38 2HE LYS 38 -20.904 5.922 4.989
603 1HZ LYS 38 1HZ LYS 38 -23.040 6.491 4.952
604 2HZ LYS 38 2HZ LYS 38 -23.075 7.510 6.275
605 3HZ LYS 38 3HZ LYS 38 -22.800 5.962 6.534
606 H LEU 39 H LEU 39 -15.410 4.258 6.341
607 HA LEU 39 HA LEU 39 -16.198 1.606 5.630
608 1HB LEU 39 1HB LEU 39 -13.551 3.136 6.221
609 2HB LEU 39 2HB LEU 39 -13.509 1.594 5.570
610 HG LEU 39 HG LEU 39 -15.164 3.262 3.666
611 1HD1 LEU 39 1HD1 LEU 39 -12.918 4.377 4.377
612 2HD1 LEU 39 2HD1 LEU 39 -13.046 3.818 2.782
613 3HD1 LEU 39 3HD1 LEU 39 -12.087 2.846 3.903
614 1HD2 LEU 39 1HD2 LEU 39 -13.359 1.011 3.193
615 2HD2 LEU 39 2HD2 LEU 39 -14.869 1.533 2.400
616 3HD2 LEU 39 3HD2 LEU 39 -14.848 0.691 3.991
617 H ALA 40 H ALA 40 -15.111 3.079 8.677
618 HA ALA 40 HA ALA 40 -14.180 2.410 10.501
619 1HB ALA 40 1HB ALA 40 -14.578 0.358 11.487
620 2HB ALA 40 2HB ALA 40 -16.125 0.851 10.764
621 3HB ALA 40 3HB ALA 40 -15.072 -0.482 10.039
622 H LEU 41 H LEU 41 -12.407 2.777 8.860
623 HA LEU 41 HA LEU 41 -10.373 0.648 9.233
624 1HB LEU 41 1HB LEU 41 -10.902 2.124 6.570
625 2HB LEU 41 2HB LEU 41 -9.451 1.311 6.791
626 HG LEU 41 HG LEU 41 -12.226 0.170 6.651
627 1HD1 LEU 41 1HD1 LEU 41 -11.204 0.951 4.721
628 2HD1 LEU 41 2HD1 LEU 41 -11.448 -0.823 4.723
629 3HD1 LEU 41 3HD1 LEU 41 -9.833 -0.207 5.024
630 1HD2 LEU 41 1HD2 LEU 41 -9.618 -1.249 7.415
631 2HD2 LEU 41 2HD2 LEU 41 -10.899 -2.190 6.663
632 3HD2 LEU 41 3HD2 LEU 41 -11.096 -1.422 8.261
633 H GLY 42 H GLY 42 -8.240 1.061 9.187
634 1HA GLY 42 1HA GLY 42 -7.256 3.438 10.377
635 2HA GLY 42 2HA GLY 42 -6.361 2.322 9.422
636 H THR 43 H THR 43 -5.572 5.035 9.441
637 HA THR 43 HA THR 43 -7.030 6.221 7.408
638 HB THR 43 HB THR 43 -5.176 7.955 7.485
639 HG1 THR 43 HG1 THR 43 -4.081 7.986 9.550
640 1HG2 THR 43 1HG2 THR 43 -7.397 8.149 8.415
641 2HG2 THR 43 2HG2 THR 43 -6.153 9.034 9.454
642 3HG2 THR 43 3HG2 THR 43 -6.856 7.498 9.959
643 H ALA 44 H ALA 44 -4.150 4.401 7.415
644 HA ALA 44 HA ALA 44 -2.967 4.946 4.829
645 1HB ALA 44 1HB ALA 44 -2.974 2.281 6.319
646 2HB ALA 44 2HB ALA 44 -1.770 2.869 5.192
647 3HB ALA 44 3HB ALA 44 -1.881 3.596 6.757
648 H GLN 45 H GLN 45 -5.507 2.581 5.885
649 HA GLN 45 HA GLN 45 -5.693 1.166 3.519
650 1HB GLN 45 1HB GLN 45 -7.901 2.069 5.603
651 2HB GLN 45 2HB GLN 45 -8.065 0.848 4.252
652 1HG GLN 45 1HG GLN 45 -7.734 -0.367 6.143
653 2HG GLN 45 2HG GLN 45 -6.328 -0.547 5.190
654 1HE2 GLN 45 1HE2 GLN 45 -6.411 -1.345 7.962
655 2HE2 GLN 45 2HE2 GLN 45 -5.343 -0.231 8.847
656 H VAL 46 H VAL 46 -7.266 4.400 4.203
657 HA VAL 46 HA VAL 46 -8.913 4.202 1.948
658 HB VAL 46 HB VAL 46 -8.233 6.880 3.238
659 1HG1 VAL 46 1HG1 VAL 46 -10.284 7.385 2.806
660 2HG1 VAL 46 2HG1 VAL 46 -9.950 6.477 1.294
661 3HG1 VAL 46 3HG1 VAL 46 -10.807 5.645 2.655
662 1HG2 VAL 46 1HG2 VAL 46 -8.371 5.370 5.157
663 2HG2 VAL 46 2HG2 VAL 46 -9.796 6.216 5.045
664 3HG2 VAL 46 3HG2 VAL 46 -9.876 4.543 4.555
665 H LYS 47 H LYS 47 -6.061 6.303 2.653
666 HA LYS 47 HA LYS 47 -5.273 7.464 0.189
667 1HB LYS 47 1HB LYS 47 -4.054 6.360 2.695
668 2HB LYS 47 2HB LYS 47 -3.041 6.825 1.294
669 1HG LYS 47 1HG LYS 47 -3.833 9.073 1.333
670 2HG LYS 47 2HG LYS 47 -5.091 8.512 2.509
671 1HD LYS 47 1HD LYS 47 -2.068 8.676 2.903
672 2HD LYS 47 2HD LYS 47 -3.444 9.651 3.692
673 1HE LYS 47 1HE LYS 47 -4.049 7.886 5.020
674 2HE LYS 47 2HE LYS 47 -3.055 6.687 4.213
675 1HZ LYS 47 1HZ LYS 47 -1.221 8.417 5.109
676 2HZ LYS 47 2HZ LYS 47 -1.772 7.328 6.129
677 3HZ LYS 47 3HZ LYS 47 -2.418 8.891 6.094
678 H ILE 48 H ILE 48 -4.310 4.315 1.231
679 HA ILE 48 HA ILE 48 -2.960 3.579 -1.262
680 HB ILE 48 HB ILE 48 -4.168 1.935 1.054
681 1HG1 ILE 48 1HG1 ILE 48 -1.390 2.380 0.084
682 2HG1 ILE 48 2HG1 ILE 48 -2.148 3.346 1.346
683 1HG2 ILE 48 1HG2 ILE 48 -2.638 0.712 -1.288
684 2HG2 ILE 48 2HG2 ILE 48 -3.152 -0.130 0.161
685 3HG2 ILE 48 3HG2 ILE 48 -4.369 0.565 -0.973
686 1HD1 ILE 48 1HD1 ILE 48 -1.715 0.267 1.572
687 2HD1 ILE 48 2HD1 ILE 48 -0.657 1.489 2.198
688 3HD1 ILE 48 3HD1 ILE 48 -2.236 1.313 2.903
689 H TRP 49 H TRP 49 -6.494 2.844 -0.377
690 HA TRP 49 HA TRP 49 -7.138 1.491 -2.814
691 1HB TRP 49 1HB TRP 49 -8.832 1.985 -0.690
692 2HB TRP 49 2HB TRP 49 -8.832 3.587 -1.318
693 HD1 TRP 49 HD1 TRP 49 -9.190 0.256 -3.188
694 HE1 TRP 49 HE1 TRP 49 -11.315 0.203 -4.726
695 HE3 TRP 49 HE3 TRP 49 -10.312 5.024 -2.498
696 HZ2 TRP 49 HZ2 TRP 49 -13.081 2.276 -5.706
697 HZ3 TRP 49 HZ3 TRP 49 -12.007 6.140 -4.041
698 HH2 TRP 49 HH2 TRP 49 -13.447 4.721 -5.458
699 H PHE 50 H PHE 50 -7.399 5.069 -2.138
700 HA PHE 50 HA PHE 50 -8.108 5.419 -4.878
701 1HB PHE 50 1HB PHE 50 -6.792 7.397 -2.883
702 2HB PHE 50 2HB PHE 50 -7.221 7.710 -4.505
703 HD1 PHE 50 HD1 PHE 50 -9.543 8.000 -5.264
704 HD2 PHE 50 HD2 PHE 50 -8.605 7.046 -1.255
705 HE1 PHE 50 HE1 PHE 50 -11.729 8.761 -4.667
706 HE2 PHE 50 HE2 PHE 50 -10.883 7.853 -0.460
707 HZ PHE 50 HZ PHE 50 -12.469 8.750 -2.319
708 H LYS 51 H LYS 51 -5.128 5.556 -3.257
709 HA LYS 51 HA LYS 51 -3.417 6.621 -5.294
710 1HB LYS 51 1HB LYS 51 -2.750 6.369 -2.974
711 2HB LYS 51 2HB LYS 51 -2.788 4.629 -3.125
712 1HG LYS 51 1HG LYS 51 -1.044 6.290 -4.910
713 2HG LYS 51 2HG LYS 51 -0.698 6.389 -3.119
714 1HD LYS 51 1HD LYS 51 -0.939 3.743 -4.529
715 2HD LYS 51 2HD LYS 51 0.627 4.596 -4.753
716 1HE LYS 51 1HE LYS 51 -0.403 3.867 -2.127
717 2HE LYS 51 2HE LYS 51 0.755 2.865 -3.137
718 1HZ LYS 51 1HZ LYS 51 1.121 5.695 -2.480
719 2HZ LYS 51 2HZ LYS 51 2.280 4.794 -3.123
720 3HZ LYS 51 3HZ LYS 51 1.924 4.564 -1.563
721 H ASN 52 H ASN 52 -3.928 3.250 -4.572
722 HA ASN 52 HA ASN 52 -2.369 2.363 -6.939
723 1HB ASN 52 1HB ASN 52 -2.052 0.378 -6.112
724 2HB ASN 52 2HB ASN 52 -2.441 1.335 -4.644
725 1HD2 ASN 52 1HD2 ASN 52 -4.851 1.118 -4.054
726 2HD2 ASN 52 2HD2 ASN 52 -5.779 -0.334 -4.350
727 H ARG 53 H ARG 53 -5.946 2.339 -6.166
728 HA ARG 53 HA ARG 53 -6.726 1.384 -8.614
729 1HB ARG 53 1HB ARG 53 -8.121 2.409 -6.479
730 2HB ARG 53 2HB ARG 53 -7.962 3.882 -7.340
731 1HG ARG 53 1HG ARG 53 -9.958 3.102 -8.079
732 2HG ARG 53 2HG ARG 53 -8.980 2.363 -9.370
733 1HD ARG 53 1HD ARG 53 -10.359 0.877 -6.983
734 2HD ARG 53 2HD ARG 53 -10.661 0.939 -8.646
735 HE ARG 53 HE ARG 53 -8.988 -0.388 -9.303
736 1HH1 ARG 53 2HH1 ARG 53 -8.926 -0.061 -5.841
737 2HH1 ARG 53 1HH1 ARG 53 -7.911 -1.604 -5.710
738 1HH2 ARG 53 2HH2 ARG 53 -8.154 -2.333 -8.912
739 2HH2 ARG 53 1HH2 ARG 53 -7.470 -2.720 -7.348
740 H ARG 54 H ARG 54 -6.098 4.811 -7.936
741 HA ARG 54 HA ARG 54 -6.331 5.843 -10.612
742 1HB ARG 54 1HB ARG 54 -4.754 6.708 -8.070
743 2HB ARG 54 2HB ARG 54 -4.447 7.558 -9.613
744 1HG ARG 54 1HG ARG 54 -6.144 8.732 -8.225
745 2HG ARG 54 2HG ARG 54 -6.813 8.292 -9.811
746 1HD ARG 54 1HD ARG 54 -7.816 6.212 -8.162
747 2HD ARG 54 2HD ARG 54 -7.252 7.488 -7.024
748 HE ARG 54 HE ARG 54 -9.014 9.023 -8.131
749 1HH1 ARG 54 2HH1 ARG 54 -9.512 5.721 -8.856
750 2HH1 ARG 54 1HH1 ARG 54 -11.196 5.715 -8.388
751 1HH2 ARG 54 2HH2 ARG 54 -11.129 9.031 -7.858
752 2HH2 ARG 54 1HH2 ARG 54 -12.122 7.591 -8.011
753 H ARG 55 H ARG 55 -3.252 4.813 -9.119
754 HA ARG 55 HA ARG 55 -1.799 5.169 -11.558
755 1HB ARG 55 1HB ARG 55 -1.234 4.024 -8.922
756 2HB ARG 55 2HB ARG 55 -0.720 2.735 -10.107
757 1HG ARG 55 1HG ARG 55 0.046 5.684 -9.969
758 2HG ARG 55 2HG ARG 55 0.992 4.357 -9.288
759 1HD ARG 55 1HD ARG 55 0.319 4.754 -12.260
760 2HD ARG 55 2HD ARG 55 1.767 5.323 -11.557
761 HE ARG 55 HE ARG 55 1.152 2.373 -11.612
762 1HH1 ARG 55 2HH1 ARG 55 3.426 4.951 -11.985
763 2HH1 ARG 55 1HH1 ARG 55 4.636 3.798 -12.486
764 1HH2 ARG 55 2HH2 ARG 55 2.884 1.020 -12.275
765 2HH2 ARG 55 1HH2 ARG 55 4.373 1.793 -12.562
766 H ARG 56 H ARG 56 -3.251 1.973 -10.444
767 HA ARG 56 HA ARG 56 -2.633 0.523 -12.820
768 1HB ARG 56 1HB ARG 56 -3.889 0.002 -10.598
769 2HB ARG 56 2HB ARG 56 -5.316 0.169 -11.535
770 1HG ARG 56 1HG ARG 56 -4.664 -1.488 -13.198
771 2HG ARG 56 2HG ARG 56 -2.992 -1.588 -12.421
772 1HD ARG 56 1HD ARG 56 -5.504 -2.415 -11.074
773 2HD ARG 56 2HD ARG 56 -4.486 -3.594 -11.939
774 HE ARG 56 HE ARG 56 -2.745 -3.335 -10.383
775 1HH1 ARG 56 2HH1 ARG 56 -5.550 -1.343 -9.402
776 2HH1 ARG 56 1HH1 ARG 56 -4.780 -1.069 -7.841
777 1HH2 ARG 56 2HH2 ARG 56 -1.971 -2.663 -8.470
778 2HH2 ARG 56 1HH2 ARG 56 -2.930 -1.675 -7.314
779 H HIS 57 H HIS 57 -5.622 2.539 -12.332
780 HA HIS 57 HA HIS 57 -6.705 2.048 -15.003
781 1HB HIS 57 1HB HIS 57 -7.422 3.639 -12.593
782 2HB HIS 57 2HB HIS 57 -8.103 4.103 -14.201
783 HD1 HIS 57 HD1 HIS 57 -9.517 1.949 -15.284
784 HD2 HIS 57 HD2 HIS 57 -8.197 1.570 -11.358
785 HE1 HIS 57 HE1 HIS 57 -10.752 -0.150 -14.291
786 H LYS 58 H LYS 58 -4.685 4.719 -13.722
787 HA LYS 58 HA LYS 58 -4.765 6.185 -16.327
788 1HB LYS 58 1HB LYS 58 -3.205 7.767 -15.516
789 2HB LYS 58 2HB LYS 58 -4.059 7.307 -14.077
790 1HG LYS 58 1HG LYS 58 -2.015 5.807 -13.564
791 2HG LYS 58 2HG LYS 58 -1.373 6.465 -15.114
792 1HD LYS 58 1HD LYS 58 -0.361 7.511 -13.469
793 2HD LYS 58 2HD LYS 58 -1.599 8.719 -13.951
794 1HE LYS 58 1HE LYS 58 -3.097 8.175 -12.099
795 2HE LYS 58 2HE LYS 58 -1.902 6.954 -11.541
796 1HZ LYS 58 1HZ LYS 58 -1.363 9.766 -11.565
797 2HZ LYS 58 2HZ LYS 58 -0.274 8.612 -11.462
798 3HZ LYS 58 3HZ LYS 58 -1.370 8.819 -10.256
799 H ILE 59 H ILE 59 -2.706 3.600 -15.149
800 HA ILE 59 HA ILE 59 -1.108 3.322 -17.577
801 HB ILE 59 HB ILE 59 -1.704 1.517 -15.015
802 1HG1 ILE 59 1HG1 ILE 59 0.810 1.302 -15.294
803 2HG1 ILE 59 2HG1 ILE 59 0.839 2.433 -16.665
804 1HG2 ILE 59 1HG2 ILE 59 -2.099 -0.202 -16.535
805 2HG2 ILE 59 2HG2 ILE 59 -0.791 0.315 -17.620
806 3HG2 ILE 59 3HG2 ILE 59 -0.487 -0.370 -16.035
807 1HD1 ILE 59 1HD1 ILE 59 0.131 2.649 -13.775
808 2HD1 ILE 59 2HD1 ILE 59 1.422 3.527 -14.540
809 3HD1 ILE 59 3HD1 ILE 59 -0.246 4.060 -14.838
810 H GLN 60 H GLN 60 -4.221 1.560 -16.406
811 HA GLN 60 HA GLN 60 -4.329 0.383 -18.919
812 1HB GLN 60 1HB GLN 60 -6.450 1.094 -16.901
813 2HB GLN 60 2HB GLN 60 -6.939 0.324 -18.455
814 1HG GLN 60 1HG GLN 60 -5.580 -1.754 -17.855
815 2HG GLN 60 2HG GLN 60 -4.934 -0.881 -16.437
816 1HE2 GLN 60 1HE2 GLN 60 -5.345 -2.192 -15.023
817 2HE2 GLN 60 2HE2 GLN 60 -7.023 -2.787 -14.674
818 H SER 61 H SER 61 -5.319 3.679 -18.050
819 HA SER 61 HA SER 61 -6.944 4.018 -20.486
820 1HB SER 61 1HB SER 61 -5.893 6.188 -18.574
821 2HB SER 61 2HB SER 61 -7.027 6.382 -19.925
822 HG SER 61 HG SER 61 -7.323 4.835 -17.577
823 H ASP 62 H ASP 62 -3.577 4.862 -19.603
824 HA ASP 62 HA ASP 62 -2.495 5.958 -22.035
825 1HB ASP 62 1HB ASP 62 -1.326 5.866 -19.859
826 2HB ASP 62 2HB ASP 62 -1.101 4.151 -20.019
827 H GLN 63 H GLN 63 -3.036 2.540 -21.064
828 HA GLN 63 HA GLN 63 -2.022 1.242 -23.459
829 1HB GLN 63 1HB GLN 63 -3.705 0.474 -21.020
830 2HB GLN 63 2HB GLN 63 -3.279 -0.617 -22.348
831 1HG GLN 63 1HG GLN 63 -0.945 -0.256 -22.288
832 2HG GLN 63 2HG GLN 63 -1.105 0.858 -20.918
833 1HE2 GLN 63 1HE2 GLN 63 0.170 -1.917 -21.070
834 2HE2 GLN 63 2HE2 GLN 63 -0.547 -2.625 -19.592
835 H HIS 64 H HIS 64 -4.451 3.233 -23.404
836 HA HIS 64 HA HIS 64 -6.435 3.623 -23.909
837 1HB HIS 64 1HB HIS 64 -5.256 2.343 -26.116
838 2HB HIS 64 2HB HIS 64 -7.051 2.516 -26.373
839 HD1 HIS 64 HD1 HIS 64 -3.878 4.384 -26.879
840 HD2 HIS 64 HD2 HIS 64 -7.855 5.350 -26.135
841 HE1 HIS 64 HE1 HIS 64 -4.229 6.659 -27.830
842 H LYS 65 H LYS 65 -5.980 0.822 -22.600
843 HA LYS 65 HA LYS 65 -8.483 -0.495 -23.481
844 1HB LYS 65 1HB LYS 65 -7.666 -2.443 -22.534
845 2HB LYS 65 2HB LYS 65 -6.254 -1.634 -23.285
846 1HG LYS 65 1HG LYS 65 -5.545 -0.920 -21.034
847 2HG LYS 65 2HG LYS 65 -7.020 -1.838 -20.298
848 1HD LYS 65 1HD LYS 65 -6.214 -3.922 -21.424
849 2HD LYS 65 2HD LYS 65 -4.784 -3.049 -21.984
850 1HE LYS 65 1HE LYS 65 -4.258 -2.440 -19.637
851 2HE LYS 65 2HE LYS 65 -5.574 -3.422 -19.052
852 1HZ LYS 65 1HZ LYS 65 -4.339 -5.359 -20.249
853 2HZ LYS 65 2HZ LYS 65 -3.606 -4.800 -19.044
854 3HZ LYS 65 3HZ LYS 65 -3.110 -4.356 -20.467
855 H ASP 66 H ASP 66 -8.009 1.844 -21.350
856 HA ASP 66 HA ASP 66 -10.587 1.125 -20.270
857 1HB ASP 66 1HB ASP 66 -9.186 0.689 -18.286
858 2HB ASP 66 2HB ASP 66 -8.513 2.321 -18.441
859 H GLN 67 H GLN 67 -10.225 2.374 -22.450
860 HA GLN 67 HA GLN 67 -11.385 4.985 -21.986
861 1HB GLN 67 1HB GLN 67 -8.596 5.321 -22.086
862 2HB GLN 67 2HB GLN 67 -9.060 5.304 -23.839
863 1HG GLN 67 1HG GLN 67 -10.694 7.042 -23.292
864 2HG GLN 67 2HG GLN 67 -9.997 7.156 -21.662
865 1HE2 GLN 67 1HE2 GLN 67 -9.271 7.676 -25.110
866 2HE2 GLN 67 2HE2 GLN 67 -7.810 8.671 -24.687
867 H SER 68 H SER 68 -9.875 2.934 -24.678
868 HA SER 68 HA SER 68 -11.414 4.008 -26.831
869 1HB SER 68 1HB SER 68 -10.571 2.122 -28.075
870 2HB SER 68 2HB SER 68 -9.263 2.761 -27.207
871 HG SER 68 HG SER 68 -9.503 1.140 -25.580
Start of MODEL 9
1 1H5* G 69 1H5* G 69 4.731 -24.207 -13.925
2 2H5* G 69 2H5* G 69 6.410 -23.589 -14.217
3 H4* G 69 H4* G 69 4.736 -23.082 -15.909
4 H3* G 69 H3* G 69 6.644 -21.258 -15.071
5 H1* G 69 H1* G 69 3.030 -20.129 -15.601
6 H8 G 69 H8 G 69 3.958 -20.715 -11.943
7 H1 G 69 H1 G 69 -2.314 -19.480 -12.885
8 1H2 G 69 1H2 G 69 -1.264 -18.990 -16.235
9 2H2 G 69 2H2 G 69 -2.465 -18.698 -15.156
10 H5T G 69 H5T G 69 6.444 -22.909 -12.349
11 1H2* G 69 1H2* G 69 5.181 -20.178 -13.595
12 2H2* G 69 2H2* G 69 5.044 -19.137 -15.040
13 1H5* C 70 1H5* C 70 4.149 -19.674 -18.689
14 2H5* C 70 2H5* C 70 5.197 -18.618 -19.561
15 H4* C 70 H4* C 70 2.743 -17.923 -19.570
16 H3* C 70 H3* C 70 4.933 -16.287 -19.014
17 H1* C 70 H1* C 70 1.449 -16.087 -17.435
18 1H4 C 70 1H4 C 70 2.522 -16.928 -10.987
19 2H4 C 70 2H4 C 70 1.030 -15.999 -11.233
20 H5 C 70 H5 C 70 4.078 -17.203 -12.795
21 H6 C 70 H6 C 70 4.329 -17.179 -15.208
22 1H2* C 70 1H2* C 70 4.381 -15.683 -16.850
23 2H2* C 70 2H2* C 70 3.134 -14.610 -17.555
24 1H5* T 71 1H5* T 71 1.055 -14.136 -20.498
25 2H5* T 71 2H5* T 71 1.269 -12.467 -21.023
26 H4* T 71 H4* T 71 -0.545 -12.995 -19.328
27 H3* T 71 H3* T 71 1.254 -10.627 -19.150
28 1H2* T 71 1H2* T 71 1.744 -10.891 -16.886
29 2H2* T 71 2H2* T 71 -0.055 -10.478 -16.652
30 H1* T 71 H1* T 71 -0.699 -12.520 -16.553
31 H3 T 71 H3 T 71 0.266 -13.144 -12.196
32 1H5M T 71 1H5M T 71 4.773 -12.658 -13.507
33 2H5M T 71 2H5M T 71 4.508 -14.391 -13.601
34 3H5M T 71 3H5M T 71 4.689 -13.304 -15.187
35 H6 T 71 H6 T 71 2.772 -13.014 -16.238
36 1H5* C 72 1H5* C 72 -3.067 -9.611 -17.255
37 2H5* C 72 2H5* C 72 -3.443 -8.081 -17.990
38 H4* C 72 H4* C 72 -3.711 -8.031 -15.635
39 H3* C 72 H3* C 72 -1.570 -6.280 -16.473
40 H1* C 72 H1* C 72 -1.988 -8.208 -13.259
41 1H4 C 72 1H4 C 72 3.881 -10.528 -12.193
42 2H4 C 72 2H4 C 72 2.703 -10.944 -10.914
43 H5 C 72 H5 C 72 3.147 -9.198 -14.183
44 H6 C 72 H6 C 72 1.148 -8.321 -15.209
45 1H2* C 72 1H2* C 72 -0.049 -6.754 -15.043
46 2H2* C 72 2H2* C 72 -1.016 -6.078 -13.827
47 1H5* T 73 1H5* T 73 -3.920 -7.518 -11.850
48 2H5* T 73 2H5* T 73 -4.582 -5.891 -11.385
49 H4* T 73 H4* T 73 -2.954 -7.196 -9.746
50 H3* T 73 H3* T 73 -2.795 -4.431 -10.706
51 1H2* T 73 1H2* T 73 -0.499 -4.882 -11.473
52 2H2* T 73 2H2* T 73 -0.137 -4.613 -9.811
53 H1* T 73 H1* T 73 -0.574 -6.883 -9.251
54 H3 T 73 H3 T 73 3.650 -8.118 -9.114
55 1H5M T 73 1H5M T 73 3.948 -6.910 -13.800
56 2H5M T 73 2H5M T 73 2.742 -5.657 -13.930
57 3H5M T 73 3H5M T 73 4.250 -5.322 -13.009
58 H6 T 73 H6 T 73 1.005 -5.848 -12.351
59 1H5* A 74 1H5* A 74 -2.612 -6.349 -6.321
60 2H5* A 74 2H5* A 74 -4.394 -6.360 -5.894
61 H4* A 74 H4* A 74 -3.620 -6.631 -3.816
62 H3* A 74 H3* A 74 -4.255 -3.970 -4.105
63 H1* A 74 H1* A 74 -0.587 -4.873 -2.902
64 H8 A 74 H8 A 74 -1.212 -3.713 -6.615
65 1H6 A 74 1H6 A 74 4.855 -4.416 -7.102
66 2H6 A 74 2H6 A 74 3.428 -3.899 -7.912
67 H2 A 74 H2 A 74 3.722 -5.841 -3.117
68 1H2* A 74 1H2* A 74 -2.224 -3.145 -4.793
69 2H2* A 74 2H2* A 74 -1.920 -2.889 -3.058
70 1H5* A 75 1H5* A 75 -1.897 -5.306 -0.562
71 2H5* A 75 2H5* A 75 -2.530 -4.777 1.020
72 H4* A 75 H4* A 75 -0.032 -5.183 0.655
73 H3* A 75 H3* A 75 -0.887 -2.817 1.996
74 H1* A 75 H1* A 75 2.119 -3.418 -0.433
75 H8 A 75 H8 A 75 -0.609 -1.327 -2.379
76 1H6 A 75 1H6 A 75 4.018 -0.501 -6.286
77 2H6 A 75 2H6 A 75 2.317 -0.572 -6.316
78 H2 A 75 H2 A 75 5.675 -2.614 -2.748
79 1H2* A 75 1H2* A 75 -0.304 -1.457 0.213
80 2H2* A 75 2H2* A 75 1.185 -1.567 1.199
81 1H5* T 76 1H5* T 76 3.792 -4.020 2.879
82 2H5* T 76 2H5* T 76 3.985 -3.331 4.432
83 H4* T 76 H4* T 76 5.947 -3.111 2.851
84 H3* T 76 H3* T 76 4.869 -0.604 4.141
85 1H2* T 76 1H2* T 76 4.943 0.458 2.085
86 2H2* T 76 2H2* T 76 6.598 0.557 2.176
87 H1* T 76 H1* T 76 6.944 -1.415 0.837
88 H3 T 76 H3 T 76 6.236 1.395 -2.828
89 1H5M T 76 1H5M T 76 1.876 2.133 -0.960
90 2H5M T 76 2H5M T 76 1.647 0.693 -2.015
91 3H5M T 76 3H5M T 76 1.547 0.606 -0.259
92 H6 T 76 H6 T 76 3.384 -0.500 0.547
93 1H5* C 77 1H5* C 77 9.609 -1.176 2.609
94 2H5* C 77 2H5* C 77 10.348 -0.712 4.123
95 H4* C 77 H4* C 77 11.655 0.032 2.028
96 H3* C 77 H3* C 77 11.090 1.728 4.126
97 H1* C 77 H1* C 77 10.950 2.654 0.495
98 1H4 C 77 1H4 C 77 4.707 4.453 -0.774
99 2H4 C 77 2H4 C 77 5.456 4.584 -2.312
100 H5 C 77 H5 C 77 5.569 3.288 1.229
101 H6 C 77 H6 C 77 7.619 2.459 2.090
102 1H2* C 77 1H2* C 77 9.399 2.800 3.159
103 2H2* C 77 2H2* C 77 10.541 3.881 2.404
104 1H5* C 78 1H5* C 78 13.297 2.805 0.529
105 2H5* C 78 2H5* C 78 14.793 3.718 0.787
106 H4* C 78 H4* C 78 13.939 4.257 -1.358
107 H3* C 78 H3* C 78 14.589 6.199 0.648
108 H1* C 78 H1* C 78 11.878 6.205 -2.173
109 1H4 C 78 1H4 C 78 6.273 6.559 1.562
110 2H4 C 78 2H4 C 78 5.882 6.962 -0.062
111 H5 C 78 H5 C 78 8.527 5.873 2.219
112 H6 C 78 H6 C 78 10.922 5.673 1.347
113 1H2* C 78 1H2* C 78 12.606 7.114 0.655
114 2H2* C 78 2H2* C 78 12.881 7.887 -0.945
115 1H5* C 79 1H5* C 79 14.305 7.556 -4.151
116 2H5* C 79 2H5* C 79 15.477 8.923 -4.192
117 H4* C 79 H4* C 79 13.251 9.630 -5.126
118 H3* C 79 H3* C 79 14.697 11.077 -2.984
119 H1* C 79 H1* C 79 11.138 11.079 -4.205
120 1H4 C 79 1H4 C 79 7.669 9.202 1.125
121 2H4 C 79 2H4 C 79 6.540 10.216 0.118
122 H5 C 79 H5 C 79 9.990 9.029 0.754
123 H6 C 79 H6 C 79 11.751 9.412 -0.882
124 1H2* C 79 1H2* C 79 12.883 11.325 -1.724
125 2H2* C 79 2H2* C 79 12.405 12.607 -2.986
126 1H5* C 80 1H5* C 80 11.806 12.886 -5.881
127 2H5* C 80 2H5* C 80 12.610 13.930 -7.052
128 H4* C 80 H4* C 80 10.600 14.471 -7.345
129 H3* C 80 H3* C 80 12.108 16.524 -6.342
130 H1* C 80 H1* C 80 8.551 15.795 -5.152
131 1H4 C 80 1H4 C 80 9.465 13.553 1.055
132 2H4 C 80 2H4 C 80 7.720 13.706 0.944
133 H5 C 80 H5 C 80 10.958 13.646 -0.713
134 H6 C 80 H6 C 80 11.313 14.593 -3.003
135 1H2* C 80 1H2* C 80 11.213 16.446 -4.117
136 2H2* C 80 2H2* C 80 9.985 17.490 -4.746
137 1H5* G 81 1H5* G 81 7.847 17.883 -7.135
138 2H5* G 81 2H5* G 81 7.790 19.462 -7.999
139 H4* G 81 H4* G 81 6.645 20.001 -5.946
140 H3* G 81 H3* G 81 9.290 21.003 -6.116
141 H1* G 81 H1* G 81 7.059 19.877 -3.193
142 H8 G 81 H8 G 81 10.372 18.494 -2.712
143 H1 G 81 H1 G 81 5.947 16.652 1.614
144 1H2 G 81 1H2 G 81 3.866 18.122 -0.638
145 2H2 G 81 2H2 G 81 4.138 17.415 0.996
146 H3T G 81 H3T G 81 7.336 22.321 -5.812
147 1H2* G 81 1H2* G 81 10.000 19.857 -4.229
148 2H2* G 81 2H2* G 81 9.089 21.169 -3.332
149 1H5* C 82 1H5* C 82 -0.068 17.336 7.226
150 2H5* C 82 2H5* C 82 -1.069 15.903 7.361
151 H4* C 82 H4* C 82 0.015 16.010 5.060
152 H3* C 82 H3* C 82 0.663 13.777 6.917
153 H1* C 82 H1* C 82 1.895 15.430 3.705
154 1H4 C 82 1H4 C 82 8.276 14.086 4.266
155 2H4 C 82 2H4 C 82 7.694 14.943 2.772
156 H5 C 82 H5 C 82 6.474 13.705 6.037
157 H6 C 82 H6 C 82 3.971 14.150 6.469
158 H5T C 82 H5T C 82 0.072 16.135 9.166
159 1H2* C 82 1H2* C 82 2.213 12.968 5.346
160 2H2* C 82 2H2* C 82 1.176 13.411 3.978
161 1H5* G 83 1H5* G 83 -1.518 14.449 3.027
162 2H5* G 83 2H5* G 83 -3.040 13.494 2.967
163 H4* G 83 H4* G 83 -2.160 14.117 0.704
164 H3* G 83 H3* G 83 -2.827 11.465 0.870
165 H1* G 83 H1* G 83 0.568 12.477 -0.781
166 H8 G 83 H8 G 83 1.278 11.520 2.753
167 H1 G 83 H1 G 83 6.246 13.962 -0.416
168 1H2 G 83 1H2 G 83 3.888 14.578 -2.674
169 2H2 G 83 2H2 G 83 5.579 14.885 -2.158
170 1H2* G 83 1H2* G 83 -0.493 10.847 1.573
171 2H2* G 83 2H2* G 83 -0.338 10.385 -0.037
172 1H5* G 84 1H5* G 84 -2.198 13.209 -3.487
173 2H5* G 84 2H5* G 84 -3.077 12.187 -4.595
174 H4* G 84 H4* G 84 -1.267 13.283 -5.848
175 H3* G 84 H3* G 84 -2.020 10.719 -6.136
176 H1* G 84 H1* G 84 1.788 11.719 -5.716
177 H8 G 84 H8 G 84 0.080 10.204 -2.723
178 H1 G 84 H1 G 84 6.367 11.134 -2.009
179 1H2 G 84 1H2 G 84 6.095 12.725 -5.164
180 2H2 G 84 2H2 G 84 7.099 12.411 -3.738
181 1H2* G 84 1H2* G 84 -0.272 9.635 -4.752
182 2H2* G 84 2H2* G 84 0.552 9.656 -6.192
183 1H5* G 85 1H5* G 85 2.013 11.143 -8.847
184 2H5* G 85 2H5* G 85 1.494 10.183 -10.299
185 H4* G 85 H4* G 85 3.595 9.182 -9.709
186 H3* G 85 H3* G 85 1.477 7.509 -10.022
187 H1* G 85 H1* G 85 4.385 7.496 -7.660
188 H8 G 85 H8 G 85 1.403 7.255 -5.440
189 H1 G 85 H1 G 85 6.967 8.011 -2.336
190 1H2 G 85 1H2 G 85 8.306 8.441 -5.377
191 2H2 G 85 2H2 G 85 8.476 8.239 -3.664
192 1H2* G 85 1H2* G 85 1.245 7.448 -7.637
193 2H2* G 85 2H2* G 85 2.353 6.062 -8.107
194 1H5* G 86 1H5* G 86 5.963 8.342 -10.998
195 2H5* G 86 2H5* G 86 6.518 7.795 -12.664
196 H4* G 86 H4* G 86 8.320 7.580 -10.960
197 H3* G 86 H3* G 86 7.561 5.273 -12.504
198 H1* G 86 H1* G 86 8.381 5.041 -8.798
199 H8 G 86 H8 G 86 4.632 4.932 -9.128
200 H1 G 86 H1 G 86 6.858 4.718 -3.146
201 1H2 G 86 1H2 G 86 9.831 4.652 -4.729
202 2H2 G 86 2H2 G 86 8.912 4.333 -3.229
203 1H2* G 86 1H2* G 86 6.203 4.577 -10.952
204 2H2* G 86 2H2* G 86 7.561 3.560 -10.502
205 1H5* A 87 1H5* A 87 11.984 4.512 -10.005
206 2H5* A 87 2H5* A 87 12.756 3.372 -11.058
207 H4* A 87 H4* A 87 13.386 3.151 -8.706
208 H3* A 87 H3* A 87 13.097 1.206 -10.443
209 H1* A 87 H1* A 87 11.308 0.961 -7.095
210 H8 A 87 H8 A 87 8.717 1.755 -9.790
211 1H6 A 87 1H6 A 87 4.971 2.073 -4.825
212 2H6 A 87 2H6 A 87 5.005 2.353 -6.536
213 H2 A 87 H2 A 87 8.807 1.064 -3.402
214 1H2* A 87 1H2* A 87 10.746 0.706 -10.134
215 2H2* A 87 2H2* A 87 11.361 -0.417 -9.028
216 1H5* T 88 1H5* T 88 12.830 0.408 -5.785
217 2H5* T 88 2H5* T 88 14.405 -0.322 -5.451
218 H4* T 88 H4* T 88 13.212 -0.885 -3.722
219 H3* T 88 H3* T 88 13.966 -3.031 -5.344
220 1H2* T 88 1H2* T 88 12.073 -3.163 -6.491
221 2H2* T 88 2H2* T 88 11.460 -4.301 -5.308
222 H1* T 88 H1* T 88 10.594 -2.799 -3.855
223 H3 T 88 H3 T 88 6.251 -1.562 -5.046
224 1H5M T 88 1H5M T 88 7.816 -0.875 -9.582
225 2H5M T 88 2H5M T 88 9.322 -1.834 -9.489
226 3H5M T 88 3H5M T 88 7.691 -2.513 -9.417
227 H6 T 88 H6 T 88 10.310 -2.043 -7.480
228 1H5* T 89 1H5* T 89 11.913 -3.910 -1.514
229 2H5* T 89 2H5* T 89 12.866 -5.129 -0.579
230 H4* T 89 H4* T 89 10.673 -5.407 0.045
231 H3* T 89 H3* T 89 11.852 -7.623 -1.203
232 1H2* T 89 1H2* T 89 10.818 -7.476 -3.238
233 2H2* T 89 2H2* T 89 9.630 -8.439 -2.458
234 H1* T 89 H1* T 89 8.339 -6.480 -1.678
235 H3 T 89 H3 T 89 5.627 -4.820 -4.786
236 1H5M T 89 1H5M T 89 10.552 -5.693 -7.016
237 2H5M T 89 2H5M T 89 9.246 -6.450 -7.858
238 3H5M T 89 3H5M T 89 9.477 -4.643 -7.734
239 H6 T 89 H6 T 89 10.230 -5.997 -4.807
240 1H5* A 90 1H5* A 90 7.827 -7.479 0.535
241 2H5* A 90 2H5* A 90 6.944 -8.653 1.477
242 H4* A 90 H4* A 90 5.545 -7.703 -0.442
243 H3* A 90 H3* A 90 5.835 -10.563 0.231
244 H1* A 90 H1* A 90 4.908 -8.617 -2.669
245 H8 A 90 H8 A 90 8.260 -9.999 -3.874
246 1H6 A 90 1H6 A 90 6.162 -7.952 -9.453
247 2H6 A 90 2H6 A 90 7.592 -8.466 -8.592
248 H2 A 90 H2 A 90 2.914 -7.505 -6.465
249 1H2* A 90 1H2* A 90 6.958 -10.758 -1.923
250 2H2* A 90 2H2* A 90 5.211 -11.071 -2.328
251 1H5* G 91 1H5* G 91 2.193 -8.337 -1.576
252 2H5* G 91 2H5* G 91 1.318 -8.813 -0.211
253 H4* G 91 H4* G 91 -0.507 -8.129 -1.455
254 H3* G 91 H3* G 91 -0.613 -10.887 -1.138
255 H1* G 91 H1* G 91 -1.038 -9.517 -4.550
256 H8 G 91 H8 G 91 2.782 -10.261 -3.947
257 H1 G 91 H1 G 91 0.836 -10.551 -10.168
258 1H2 G 91 1H2 G 91 -2.201 -9.538 -8.838
259 2H2 G 91 2H2 G 91 -1.335 -10.203 -10.182
260 1H2* G 91 1H2* G 91 0.496 -11.549 -2.908
261 2H2* G 91 2H2* G 91 -1.196 -11.590 -3.516
262 1H5* A 92 1H5* A 92 -3.225 -9.404 -4.807
263 2H5* A 92 2H5* A 92 -4.611 -9.180 -3.734
264 H4* A 92 H4* A 92 -5.724 -9.582 -5.788
265 H3* A 92 H3* A 92 -6.104 -11.816 -4.219
266 H1* A 92 H1* A 92 -4.753 -12.374 -7.778
267 H8 A 92 H8 A 92 -2.211 -13.026 -5.072
268 1H6 A 92 1H6 A 92 1.728 -13.877 -9.806
269 2H6 A 92 2H6 A 92 1.622 -14.011 -8.070
270 H2 A 92 H2 A 92 -2.119 -12.636 -11.374
271 1H2* A 92 1H2* A 92 -4.317 -13.156 -4.940
272 2H2* A 92 2H2* A 92 -5.582 -13.632 -6.122
273 1H5* G 93 1H5* G 93 -7.017 -11.191 -8.526
274 2H5* G 93 2H5* G 93 -8.705 -11.466 -8.897
275 H4* G 93 H4* G 93 -7.461 -11.728 -10.829
276 H3* G 93 H3* G 93 -9.190 -13.678 -9.711
277 H1* G 93 H1* G 93 -6.198 -14.214 -11.795
278 H8 G 93 H8 G 93 -5.537 -15.716 -8.268
279 H1 G 93 H1 G 93 -0.735 -16.460 -12.487
280 1H2 G 93 1H2 G 93 -2.893 -14.781 -14.606
281 2H2 G 93 2H2 G 93 -1.297 -15.347 -14.418
282 1H2* G 93 1H2* G 93 -7.651 -15.249 -9.270
283 2H2* G 93 2H2* G 93 -7.852 -15.844 -10.845
284 1H5* C 94 1H5* C 94 -8.215 -13.739 -14.147
285 2H5* C 94 2H5* C 94 -9.562 -14.296 -15.022
286 H4* C 94 H4* C 94 -7.565 -15.530 -15.946
287 H3* C 94 H3* C 94 -9.876 -16.674 -15.073
288 H1* C 94 H1* C 94 -6.266 -17.716 -15.224
289 1H4 C 94 1H4 C 94 -4.250 -19.530 -9.296
290 2H4 C 94 2H4 C 94 -2.906 -19.550 -10.491
291 H5 C 94 H5 C 94 -6.584 -18.843 -9.924
292 H6 C 94 H6 C 94 -7.730 -17.886 -11.773
293 H3T C 94 H3T C 94 -8.985 -16.787 -17.276
294 1H2* C 94 1H2* C 94 -8.830 -18.186 -13.527
295 2H2* C 94 2H2* C 94 -8.264 -18.941 -15.084
296 1H GLY 1 1H GLY 1 -2.224 -9.813 2.889
297 2H GLY 1 2H GLY 1 -1.208 -10.111 4.126
298 3H GLY 1 3H GLY 1 -2.140 -11.344 3.573
299 1HA GLY 1 1HA GLY 1 -0.971 -11.505 1.557
300 2HA GLY 1 2HA GLY 1 0.089 -10.115 2.071
301 HA PRO 2 HA PRO 2 1.441 -14.640 3.429
302 1HB PRO 2 1HB PRO 2 3.356 -14.083 1.356
303 2HB PRO 2 2HB PRO 2 2.667 -15.706 1.817
304 1HG PRO 2 1HG PRO 2 1.680 -14.516 -0.400
305 2HG PRO 2 2HG PRO 2 0.536 -15.312 0.852
306 1HD PRO 2 1HD PRO 2 1.033 -12.538 0.170
307 2HD PRO 2 2HD PRO 2 -0.455 -13.457 0.853
308 H ARG 3 H ARG 3 2.934 -11.652 2.473
309 HA ARG 3 HA ARG 3 4.565 -11.424 5.100
310 1HB ARG 3 1HB ARG 3 5.900 -11.884 3.103
311 2HB ARG 3 2HB ARG 3 5.163 -10.547 2.231
312 1HG ARG 3 1HG ARG 3 7.500 -10.125 3.064
313 2HG ARG 3 2HG ARG 3 6.248 -8.946 3.587
314 1HD ARG 3 1HD ARG 3 6.307 -10.435 5.772
315 2HD ARG 3 2HD ARG 3 7.739 -11.184 5.074
316 HE ARG 3 HE ARG 3 8.774 -8.989 5.017
317 1HH1 ARG 3 2HH1 ARG 3 5.781 -8.901 6.470
318 2HH1 ARG 3 1HH1 ARG 3 6.251 -7.905 7.862
319 1HH2 ARG 3 2HH2 ARG 3 9.458 -7.666 6.820
320 2HH2 ARG 3 1HH2 ARG 3 8.221 -6.699 7.597
321 H ARG 4 H ARG 4 2.307 -9.850 2.998
322 HA ARG 4 HA ARG 4 2.413 -7.329 4.342
323 1HB ARG 4 1HB ARG 4 1.086 -8.333 1.848
324 2HB ARG 4 2HB ARG 4 0.542 -6.891 2.490
325 1HG ARG 4 1HG ARG 4 2.274 -6.806 0.655
326 2HG ARG 4 2HG ARG 4 2.721 -5.735 2.047
327 1HD ARG 4 1HD ARG 4 3.709 -8.474 1.663
328 2HD ARG 4 2HD ARG 4 4.417 -7.047 0.912
329 HE ARG 4 HE ARG 4 3.895 -7.269 3.832
330 1HH1 ARG 4 2HH2 ARG 4 6.071 -5.784 1.527
331 2HH1 ARG 4 1HH2 ARG 4 7.235 -5.500 2.853
332 1HH2 ARG 4 2HH1 ARG 4 4.981 -6.330 5.239
333 2HH2 ARG 4 1HH1 ARG 4 6.345 -5.277 4.838
334 H THR 5 H THR 5 0.638 -6.057 4.960
335 HA THR 5 HA THR 5 -0.653 -6.719 7.123
336 HB THR 5 HB THR 5 -0.304 -4.574 6.249
337 HG1 THR 5 HG1 THR 5 -2.111 -3.811 7.345
338 1HG2 THR 5 1HG2 THR 5 -2.158 -3.275 4.993
339 2HG2 THR 5 2HG2 THR 5 -3.022 -4.794 4.849
340 3HG2 THR 5 3HG2 THR 5 -1.473 -4.568 3.978
341 H ARG 6 H ARG 6 -2.753 -7.275 7.584
342 HA ARG 6 HA ARG 6 -3.698 -9.543 5.897
343 1HB ARG 6 1HB ARG 6 -4.241 -10.648 7.863
344 2HB ARG 6 2HB ARG 6 -2.748 -9.734 8.229
345 1HG ARG 6 1HG ARG 6 -3.918 -8.413 9.736
346 2HG ARG 6 2HG ARG 6 -5.443 -8.538 8.764
347 1HD ARG 6 1HD ARG 6 -4.276 -10.718 10.466
348 2HD ARG 6 2HD ARG 6 -5.686 -9.594 10.952
349 HE ARG 6 HE ARG 6 -6.131 -11.268 8.554
350 1HH1 ARG 6 2HH1 ARG 6 -6.896 -10.776 11.867
351 2HH1 ARG 6 1HH1 ARG 6 -8.267 -11.860 11.767
352 1HH2 ARG 6 2HH2 ARG 6 -7.542 -12.651 8.497
353 2HH2 ARG 6 1HH2 ARG 6 -8.370 -13.090 9.997
354 H THR 7 H THR 7 -4.883 -6.525 6.133
355 HA THR 7 HA THR 7 -7.776 -7.368 6.151
356 HB THR 7 HB THR 7 -6.520 -4.560 6.158
357 HG1 THR 7 HG1 THR 7 -6.249 -5.494 8.053
358 1HG2 THR 7 1HG2 THR 7 -8.999 -3.842 6.526
359 2HG2 THR 7 2HG2 THR 7 -9.538 -5.520 6.504
360 3HG2 THR 7 3HG2 THR 7 -8.897 -4.942 5.071
361 H THR 8 H THR 8 -8.991 -7.371 4.323
362 HA THR 8 HA THR 8 -8.137 -6.286 1.812
363 HB THR 8 HB THR 8 -8.663 -9.214 2.280
364 HG1 THR 8 HG1 THR 8 -6.834 -9.171 1.210
365 1HG2 THR 8 1HG2 THR 8 -9.052 -7.559 -0.239
366 2HG2 THR 8 2HG2 THR 8 -10.241 -8.676 0.348
367 3HG2 THR 8 3HG2 THR 8 -8.619 -9.282 -0.306
368 H PHE 9 H PHE 9 -9.806 -5.118 1.030
369 HA PHE 9 HA PHE 9 -11.960 -4.372 2.207
370 1HB PHE 9 1HB PHE 9 -11.681 -4.422 -0.742
371 2HB PHE 9 2HB PHE 9 -12.628 -3.321 0.252
372 HD1 PHE 9 HD1 PHE 9 -9.332 -4.148 -0.971
373 HD2 PHE 9 HD2 PHE 9 -11.633 -1.681 1.749
374 HE1 PHE 9 HE1 PHE 9 -7.377 -2.774 -0.467
375 HE2 PHE 9 HE2 PHE 9 -9.612 -0.331 2.192
376 HZ PHE 9 HZ PHE 9 -7.514 -0.842 1.076
377 H THR 10 H THR 10 -14.443 -4.835 1.948
378 HA THR 10 HA THR 10 -15.148 -7.392 0.602
379 HB THR 10 HB THR 10 -17.244 -7.259 1.938
380 HG1 THR 10 HG1 THR 10 -17.080 -5.355 3.508
381 1HG2 THR 10 1HG2 THR 10 -16.377 -7.710 4.245
382 2HG2 THR 10 2HG2 THR 10 -15.028 -6.617 4.042
383 3HG2 THR 10 3HG2 THR 10 -15.099 -8.067 3.141
384 H SER 11 H SER 11 -17.173 -7.233 -0.724
385 HA SER 11 HA SER 11 -17.201 -5.143 -2.407
386 1HB SER 11 1HB SER 11 -19.661 -6.642 -1.507
387 2HB SER 11 2HB SER 11 -19.644 -5.851 -3.082
388 HG SER 11 HG SER 11 -19.152 -7.885 -3.439
389 H SER 12 H SER 12 -19.153 -5.063 0.536
390 HA SER 12 HA SER 12 -20.338 -2.617 0.214
391 1HB SER 12 1HB SER 12 -19.631 -3.816 2.936
392 2HB SER 12 2HB SER 12 -20.861 -2.639 2.664
393 HG SER 12 HG SER 12 -21.732 -4.562 2.707
394 H GLN 13 H GLN 13 -17.136 -3.525 1.499
395 HA GLN 13 HA GLN 13 -16.440 -0.751 2.383
396 1HB GLN 13 1HB GLN 13 -14.700 -3.119 1.700
397 2HB GLN 13 2HB GLN 13 -14.146 -1.558 2.466
398 1HG GLN 13 1HG GLN 13 -15.613 -1.602 4.189
399 2HG GLN 13 2HG GLN 13 -16.373 -3.108 3.696
400 1HE2 GLN 13 1HE2 GLN 13 -14.903 -2.306 6.120
401 2HE2 GLN 13 2HE2 GLN 13 -13.406 -3.158 6.260
402 H ILE 14 H ILE 14 -15.932 -2.595 -0.615
403 HA ILE 14 HA ILE 14 -14.337 -0.444 -1.807
404 HB ILE 14 HB ILE 14 -15.828 -2.655 -3.236
405 1HG1 ILE 14 1HG1 ILE 14 -12.934 -2.114 -2.495
406 2HG1 ILE 14 2HG1 ILE 14 -13.919 -3.334 -1.633
407 1HG2 ILE 14 1HG2 ILE 14 -15.600 -0.954 -4.777
408 2HG2 ILE 14 2HG2 ILE 14 -13.915 -0.701 -4.444
409 3HG2 ILE 14 3HG2 ILE 14 -14.466 -2.223 -5.123
410 1HD1 ILE 14 1HD1 ILE 14 -14.109 -4.403 -3.923
411 2HD1 ILE 14 2HD1 ILE 14 -12.584 -3.390 -4.370
412 3HD1 ILE 14 3HD1 ILE 14 -12.454 -4.502 -3.129
413 H ALA 15 H ALA 15 -17.730 -1.212 -1.755
414 HA ALA 15 HA ALA 15 -18.756 0.925 -3.420
415 1HB ALA 15 1HB ALA 15 -20.884 0.286 -2.545
416 2HB ALA 15 2HB ALA 15 -20.010 -1.244 -2.449
417 3HB ALA 15 3HB ALA 15 -20.205 -0.228 -1.066
418 H GLU 16 H GLU 16 -18.412 0.875 0.206
419 HA GLU 16 HA GLU 16 -19.244 3.555 0.815
420 1HB GLU 16 1HB GLU 16 -17.239 1.550 1.863
421 2HB GLU 16 2HB GLU 16 -17.241 3.212 2.436
422 1HG GLU 16 1HG GLU 16 -18.976 0.997 3.112
423 2HG GLU 16 2HG GLU 16 -18.050 2.159 4.114
424 H LEU 17 H LEU 17 -15.954 2.084 0.157
425 HA LEU 17 HA LEU 17 -14.483 4.289 0.284
426 1HB LEU 17 1HB LEU 17 -14.174 1.685 -1.263
427 2HB LEU 17 2HB LEU 17 -12.984 2.889 -1.576
428 HG LEU 17 HG LEU 17 -13.710 2.087 1.269
429 1HD1 LEU 17 1HD1 LEU 17 -12.953 0.040 0.247
430 2HD1 LEU 17 2HD1 LEU 17 -11.978 0.747 1.608
431 3HD1 LEU 17 3HD1 LEU 17 -11.276 0.810 0.005
432 1HD2 LEU 17 1HD2 LEU 17 -11.308 3.432 0.256
433 2HD2 LEU 17 2HD2 LEU 17 -11.582 2.968 1.993
434 3HD2 LEU 17 3HD2 LEU 17 -12.669 4.131 1.204
435 H GLU 18 H GLU 18 -15.816 2.940 -2.732
436 HA GLU 18 HA GLU 18 -15.007 5.040 -4.468
437 1HB GLU 18 1HB GLU 18 -17.422 3.125 -4.356
438 2HB GLU 18 2HB GLU 18 -17.246 4.389 -5.645
439 1HG GLU 18 1HG GLU 18 -14.967 3.416 -6.173
440 2HG GLU 18 2HG GLU 18 -15.166 2.249 -5.077
441 H GLN 19 H GLN 19 -18.264 4.758 -2.872
442 HA GLN 19 HA GLN 19 -19.124 7.155 -3.838
443 1HB GLN 19 1HB GLN 19 -20.523 5.388 -2.796
444 2HB GLN 19 2HB GLN 19 -19.861 5.736 -1.288
445 1HG GLN 19 1HG GLN 19 -21.976 6.685 -1.465
446 2HG GLN 19 2HG GLN 19 -20.849 7.974 -1.242
447 1HE2 GLN 19 1HE2 GLN 19 -21.781 6.243 -4.339
448 2HE2 GLN 19 2HE2 GLN 19 -22.297 7.620 -5.131
449 H HIS 20 H HIS 20 -17.340 6.684 -0.589
450 HA HIS 20 HA HIS 20 -17.532 9.594 -0.024
451 1HB HIS 20 1HB HIS 20 -16.033 7.506 1.179
452 2HB HIS 20 2HB HIS 20 -15.977 9.228 1.728
453 HD1 HIS 20 HD1 HIS 20 -18.555 10.304 2.370
454 HD2 HIS 20 HD2 HIS 20 -17.985 6.107 2.152
455 HE1 HIS 20 HE1 HIS 20 -20.240 9.269 3.951
456 H PHE 21 H PHE 21 -15.191 7.801 -1.673
457 HA PHE 21 HA PHE 21 -13.577 9.971 -2.228
458 1HB PHE 21 1HB PHE 21 -12.578 7.849 -2.830
459 2HB PHE 21 2HB PHE 21 -14.003 7.220 -3.496
460 HD1 PHE 21 HD1 PHE 21 -14.887 7.999 -5.913
461 HD2 PHE 21 HD2 PHE 21 -10.874 8.810 -4.486
462 HE1 PHE 21 HE1 PHE 21 -14.169 8.096 -8.063
463 HE2 PHE 21 HE2 PHE 21 -10.163 8.947 -6.826
464 HZ PHE 21 HZ PHE 21 -11.902 8.710 -8.701
465 H LEU 22 H LEU 22 -16.520 8.953 -3.917
466 HA LEU 22 HA LEU 22 -16.365 10.805 -6.034
467 1HB LEU 22 1HB LEU 22 -18.701 10.077 -4.399
468 2HB LEU 22 2HB LEU 22 -18.749 10.801 -6.059
469 HG LEU 22 HG LEU 22 -17.764 8.075 -5.478
470 1HD1 LEU 22 1HD1 LEU 22 -20.137 9.016 -7.152
471 2HD1 LEU 22 2HD1 LEU 22 -20.241 8.427 -5.504
472 3HD1 LEU 22 3HD1 LEU 22 -19.660 7.368 -6.827
473 1HD2 LEU 22 1HD2 LEU 22 -16.508 8.928 -7.197
474 2HD2 LEU 22 2HD2 LEU 22 -17.789 9.811 -8.053
475 3HD2 LEU 22 3HD2 LEU 22 -17.794 7.992 -8.166
476 H GLN 23 H GLN 23 -17.064 11.407 -2.728
477 HA GLN 23 HA GLN 23 -17.561 14.243 -3.041
478 1HB GLN 23 1HB GLN 23 -17.112 12.938 -0.370
479 2HB GLN 23 2HB GLN 23 -18.156 14.304 -0.800
480 1HG GLN 23 1HG GLN 23 -18.623 11.277 -1.095
481 2HG GLN 23 2HG GLN 23 -19.434 12.523 -0.131
482 1HE2 GLN 23 1HE2 GLN 23 -20.225 10.582 -2.840
483 2HE2 GLN 23 2HE2 GLN 23 -21.157 11.870 -3.586
484 H GLY 24 H GLY 24 -14.843 12.557 -2.874
485 1HA GLY 24 1HA GLY 24 -13.232 14.913 -3.017
486 2HA GLY 24 2HA GLY 24 -13.104 14.317 -1.386
487 H ARG 25 H ARG 25 -11.934 14.208 -4.449
488 HA ARG 25 HA ARG 25 -11.337 11.317 -4.721
489 1HB ARG 25 1HB ARG 25 -10.994 13.813 -6.289
490 2HB ARG 25 2HB ARG 25 -10.145 12.382 -6.842
491 1HG ARG 25 1HG ARG 25 -12.151 12.350 -7.944
492 2HG ARG 25 2HG ARG 25 -12.549 11.291 -6.575
493 1HD ARG 25 1HD ARG 25 -14.329 12.933 -7.254
494 2HD ARG 25 2HD ARG 25 -13.780 12.913 -5.467
495 HE ARG 25 HE ARG 25 -12.622 15.049 -7.115
496 1HH1 ARG 25 2HH2 ARG 25 -15.538 14.443 -5.167
497 2HH1 ARG 25 1HH2 ARG 25 -15.409 16.116 -4.633
498 1HH2 ARG 25 2HH1 ARG 25 -12.915 17.240 -6.402
499 2HH2 ARG 25 1HH1 ARG 25 -14.043 17.485 -5.145
500 H TYR 26 H TYR 26 -9.482 13.575 -3.090
501 HA TYR 26 HA TYR 26 -7.010 11.984 -3.398
502 1HB TYR 26 1HB TYR 26 -7.646 14.946 -3.098
503 2HB TYR 26 2HB TYR 26 -6.021 14.278 -2.948
504 HD1 TYR 26 HD1 TYR 26 -9.030 14.828 -5.046
505 HD2 TYR 26 HD2 TYR 26 -4.886 13.463 -4.955
506 HE1 TYR 26 HE1 TYR 26 -8.974 14.597 -7.625
507 HE2 TYR 26 HE2 TYR 26 -4.741 14.215 -7.427
508 HH TYR 26 HH TYR 26 -5.835 14.501 -9.313
509 H LEU 27 H LEU 27 -6.242 11.104 -1.457
510 HA LEU 27 HA LEU 27 -7.940 11.359 0.921
511 1HB LEU 27 1HB LEU 27 -6.071 9.319 -0.090
512 2HB LEU 27 2HB LEU 27 -5.581 9.911 1.491
513 HG LEU 27 HG LEU 27 -8.253 8.913 0.912
514 1HD1 LEU 27 1HD1 LEU 27 -5.943 7.562 2.256
515 2HD1 LEU 27 2HD1 LEU 27 -6.422 7.200 0.680
516 3HD1 LEU 27 3HD1 LEU 27 -7.531 6.719 1.946
517 1HD2 LEU 27 1HD2 LEU 27 -6.758 9.578 3.394
518 2HD2 LEU 27 2HD2 LEU 27 -8.425 8.782 3.314
519 3HD2 LEU 27 3HD2 LEU 27 -8.154 10.527 2.838
520 H THR 28 H THR 28 -7.550 12.096 2.897
521 HA THR 28 HA THR 28 -5.150 13.651 3.587
522 HB THR 28 HB THR 28 -6.675 15.519 4.460
523 HG1 THR 28 HG1 THR 28 -8.567 15.820 3.435
524 1HG2 THR 28 1HG2 THR 28 -6.740 15.106 1.473
525 2HG2 THR 28 2HG2 THR 28 -5.216 15.473 2.304
526 3HG2 THR 28 3HG2 THR 28 -6.559 16.630 2.385
527 H ALA 29 H ALA 29 -4.967 13.575 5.919
528 HA ALA 29 HA ALA 29 -6.046 11.550 7.533
529 1HB ALA 29 1HB ALA 29 -5.325 14.378 8.421
530 2HB ALA 29 2HB ALA 29 -5.239 12.806 9.311
531 3HB ALA 29 3HB ALA 29 -4.133 13.110 8.017
532 HA PRO 30 HA PRO 30 -9.894 13.346 8.731
533 1HB PRO 30 1HB PRO 30 -11.185 15.397 7.156
534 2HB PRO 30 2HB PRO 30 -10.147 15.780 8.583
535 1HG PRO 30 1HG PRO 30 -9.522 15.693 5.654
536 2HG PRO 30 2HG PRO 30 -9.037 16.974 6.800
537 1HD PRO 30 1HD PRO 30 -7.278 15.104 6.211
538 2HD PRO 30 2HD PRO 30 -7.361 15.517 7.978
539 H ARG 31 H ARG 31 -9.587 13.154 5.261
540 HA ARG 31 HA ARG 31 -12.059 11.672 4.749
541 1HB ARG 31 1HB ARG 31 -9.507 12.304 3.305
542 2HB ARG 31 2HB ARG 31 -10.416 10.765 2.944
543 1HG ARG 31 1HG ARG 31 -10.888 12.504 1.431
544 2HG ARG 31 2HG ARG 31 -12.344 12.098 2.345
545 1HD ARG 31 1HD ARG 31 -12.155 13.966 3.869
546 2HD ARG 31 2HD ARG 31 -10.535 14.413 3.232
547 HE ARG 31 HE ARG 31 -11.508 15.316 1.434
548 1HH1 ARG 31 2HH1 ARG 31 -14.116 13.683 3.110
549 2HH1 ARG 31 1HH1 ARG 31 -15.344 14.588 2.296
550 1HH2 ARG 31 2HH2 ARG 31 -13.436 16.538 0.506
551 2HH2 ARG 31 1HH2 ARG 31 -14.920 15.703 0.578
552 H LEU 32 H LEU 32 -8.561 10.687 5.328
553 HA LEU 32 HA LEU 32 -9.041 8.002 5.204
554 1HB LEU 32 1HB LEU 32 -6.999 9.551 5.386
555 2HB LEU 32 2HB LEU 32 -7.257 9.383 7.136
556 HG LEU 32 HG LEU 32 -7.104 6.754 6.617
557 1HD1 LEU 32 1HD1 LEU 32 -7.166 7.079 4.191
558 2HD1 LEU 32 2HD1 LEU 32 -5.737 6.245 4.914
559 3HD1 LEU 32 3HD1 LEU 32 -5.565 7.834 4.229
560 1HD2 LEU 32 1HD2 LEU 32 -5.603 8.072 8.001
561 2HD2 LEU 32 2HD2 LEU 32 -4.802 8.613 6.538
562 3HD2 LEU 32 3HD2 LEU 32 -4.673 6.922 7.073
563 H ALA 33 H ALA 33 -9.389 10.193 8.064
564 HA ALA 33 HA ALA 33 -9.827 8.291 10.072
565 1HB ALA 33 1HB ALA 33 -9.160 10.501 10.579
566 2HB ALA 33 2HB ALA 33 -10.615 11.188 9.679
567 3HB ALA 33 3HB ALA 33 -10.786 10.386 11.221
568 H ASP 34 H ASP 34 -12.187 10.461 8.376
569 HA ASP 34 HA ASP 34 -14.460 9.429 9.315
570 1HB ASP 34 1HB ASP 34 -13.875 11.673 7.907
571 2HB ASP 34 2HB ASP 34 -14.020 10.699 6.592
572 H LEU 35 H LEU 35 -13.277 8.551 5.945
573 HA LEU 35 HA LEU 35 -15.033 6.638 5.563
574 1HB LEU 35 1HB LEU 35 -13.011 7.591 4.104
575 2HB LEU 35 2HB LEU 35 -12.342 5.969 4.506
576 HG LEU 35 HG LEU 35 -13.654 5.034 2.947
577 1HD1 LEU 35 1HD1 LEU 35 -16.019 5.395 2.396
578 2HD1 LEU 35 2HD1 LEU 35 -16.134 6.654 3.598
579 3HD1 LEU 35 3HD1 LEU 35 -15.861 4.903 3.970
580 1HD2 LEU 35 1HD2 LEU 35 -12.538 6.564 1.721
581 2HD2 LEU 35 2HD2 LEU 35 -13.965 7.677 1.852
582 3HD2 LEU 35 3HD2 LEU 35 -13.991 6.057 1.019
583 H SER 36 H SER 36 -12.105 6.350 7.451
584 HA SER 36 HA SER 36 -12.052 3.493 7.481
585 1HB SER 36 1HB SER 36 -9.984 4.519 8.230
586 2HB SER 36 2HB SER 36 -10.936 5.788 9.185
587 HG SER 36 HG SER 36 -10.805 3.068 9.617
588 H ALA 37 H ALA 37 -13.259 6.071 9.695
589 HA ALA 37 HA ALA 37 -14.348 4.333 11.599
590 1HB ALA 37 1HB ALA 37 -15.818 6.400 12.107
591 2HB ALA 37 2HB ALA 37 -14.070 6.695 12.089
592 3HB ALA 37 3HB ALA 37 -14.982 7.182 10.727
593 H LYS 38 H LYS 38 -15.572 5.208 8.335
594 HA LYS 38 HA LYS 38 -18.177 4.142 8.973
595 1HB LYS 38 1HB LYS 38 -17.762 6.285 7.691
596 2HB LYS 38 2HB LYS 38 -17.274 5.311 6.276
597 1HG LYS 38 1HG LYS 38 -19.492 4.029 6.745
598 2HG LYS 38 2HG LYS 38 -19.938 5.219 7.894
599 1HD LYS 38 1HD LYS 38 -19.892 6.921 5.981
600 2HD LYS 38 2HD LYS 38 -19.239 5.686 4.985
601 1HE LYS 38 1HE LYS 38 -20.991 4.081 5.492
602 2HE LYS 38 2HE LYS 38 -21.940 5.308 6.397
603 1HZ LYS 38 1HZ LYS 38 -21.316 5.103 3.507
604 2HZ LYS 38 2HZ LYS 38 -21.935 6.514 4.057
605 3HZ LYS 38 3HZ LYS 38 -22.807 5.128 4.218
606 H LEU 39 H LEU 39 -15.577 3.299 6.744
607 HA LEU 39 HA LEU 39 -16.615 0.802 5.604
608 1HB LEU 39 1HB LEU 39 -13.934 1.831 6.318
609 2HB LEU 39 2HB LEU 39 -14.179 0.354 5.328
610 HG LEU 39 HG LEU 39 -15.136 3.074 4.255
611 1HD1 LEU 39 1HD1 LEU 39 -13.108 3.204 3.153
612 2HD1 LEU 39 2HD1 LEU 39 -12.634 1.532 3.679
613 3HD1 LEU 39 3HD1 LEU 39 -12.649 2.963 4.814
614 1HD2 LEU 39 1HD2 LEU 39 -14.445 0.433 3.081
615 2HD2 LEU 39 2HD2 LEU 39 -15.284 1.914 2.334
616 3HD2 LEU 39 3HD2 LEU 39 -16.136 1.041 3.588
617 H ALA 40 H ALA 40 -15.358 1.551 8.766
618 HA ALA 40 HA ALA 40 -15.134 0.335 10.772
619 1HB ALA 40 1HB ALA 40 -16.449 -1.742 10.913
620 2HB ALA 40 2HB ALA 40 -17.329 -0.608 9.961
621 3HB ALA 40 3HB ALA 40 -16.400 -1.904 9.184
622 H LEU 41 H LEU 41 -12.933 0.679 9.017
623 HA LEU 41 HA LEU 41 -11.174 -1.560 9.836
624 1HB LEU 41 1HB LEU 41 -10.000 -1.753 7.703
625 2HB LEU 41 2HB LEU 41 -11.561 -2.603 7.742
626 HG LEU 41 HG LEU 41 -12.676 -1.196 6.336
627 1HD1 LEU 41 1HD1 LEU 41 -10.209 0.675 6.520
628 2HD1 LEU 41 2HD1 LEU 41 -11.942 0.927 6.662
629 3HD1 LEU 41 3HD1 LEU 41 -11.182 0.531 5.059
630 1HD2 LEU 41 1HD2 LEU 41 -11.115 -3.028 5.288
631 2HD2 LEU 41 2HD2 LEU 41 -9.887 -1.765 5.212
632 3HD2 LEU 41 3HD2 LEU 41 -11.417 -1.504 4.380
633 H GLY 42 H GLY 42 -8.929 -1.141 9.192
634 1HA GLY 42 1HA GLY 42 -7.776 1.060 10.499
635 2HA GLY 42 2HA GLY 42 -6.973 0.040 9.270
636 H THR 43 H THR 43 -7.133 2.971 10.057
637 HA THR 43 HA THR 43 -7.741 4.622 8.004
638 HB THR 43 HB THR 43 -5.709 5.992 8.773
639 HG1 THR 43 HG1 THR 43 -4.240 5.241 9.886
640 1HG2 THR 43 1HG2 THR 43 -7.551 6.641 9.837
641 2HG2 THR 43 2HG2 THR 43 -6.518 6.214 11.227
642 3HG2 THR 43 3HG2 THR 43 -7.832 5.162 10.784
643 H ALA 44 H ALA 44 -4.784 2.861 8.379
644 HA ALA 44 HA ALA 44 -3.357 3.612 6.085
645 1HB ALA 44 1HB ALA 44 -2.064 1.728 6.364
646 2HB ALA 44 2HB ALA 44 -2.230 2.543 7.780
647 3HB ALA 44 3HB ALA 44 -3.191 0.968 7.532
648 H GLN 45 H GLN 45 -5.907 1.019 6.189
649 HA GLN 45 HA GLN 45 -5.480 -0.023 3.499
650 1HB GLN 45 1HB GLN 45 -7.721 -0.028 5.498
651 2HB GLN 45 2HB GLN 45 -7.825 -0.674 3.930
652 1HG GLN 45 1HG GLN 45 -7.336 -2.466 5.615
653 2HG GLN 45 2HG GLN 45 -5.928 -2.220 4.557
654 1HE2 GLN 45 1HE2 GLN 45 -7.027 -2.136 7.897
655 2HE2 GLN 45 2HE2 GLN 45 -5.519 -1.845 8.601
656 H VAL 46 H VAL 46 -7.243 2.971 4.672
657 HA VAL 46 HA VAL 46 -8.847 3.104 2.116
658 HB VAL 46 HB VAL 46 -8.329 5.295 4.182
659 1HG1 VAL 46 1HG1 VAL 46 -10.876 5.235 2.799
660 2HG1 VAL 46 2HG1 VAL 46 -9.668 6.569 2.739
661 3HG1 VAL 46 3HG1 VAL 46 -9.648 5.132 1.659
662 1HG2 VAL 46 1HG2 VAL 46 -10.709 4.433 4.918
663 2HG2 VAL 46 2HG2 VAL 46 -10.142 2.897 4.143
664 3HG2 VAL 46 3HG2 VAL 46 -9.364 3.599 5.554
665 H LYS 47 H LYS 47 -5.917 4.660 3.497
666 HA LYS 47 HA LYS 47 -4.773 6.126 1.340
667 1HB LYS 47 1HB LYS 47 -4.100 4.780 3.758
668 2HB LYS 47 2HB LYS 47 -2.724 4.455 2.658
669 1HG LYS 47 1HG LYS 47 -2.239 6.570 2.306
670 2HG LYS 47 2HG LYS 47 -3.836 7.279 2.700
671 1HD LYS 47 1HD LYS 47 -3.285 6.511 5.235
672 2HD LYS 47 2HD LYS 47 -1.710 6.243 4.559
673 1HE LYS 47 1HE LYS 47 -1.877 8.551 3.439
674 2HE LYS 47 2HE LYS 47 -3.310 8.696 4.560
675 1HZ LYS 47 1HZ LYS 47 -1.570 8.181 6.382
676 2HZ LYS 47 2HZ LYS 47 -1.244 9.582 5.537
677 3HZ LYS 47 3HZ LYS 47 -0.453 8.317 5.193
678 H ILE 48 H ILE 48 -4.133 2.858 1.860
679 HA ILE 48 HA ILE 48 -3.152 2.426 -0.809
680 HB ILE 48 HB ILE 48 -4.083 0.402 1.183
681 1HG1 ILE 48 1HG1 ILE 48 -2.325 1.719 2.229
682 2HG1 ILE 48 2HG1 ILE 48 -1.558 0.197 1.624
683 1HG2 ILE 48 1HG2 ILE 48 -2.311 0.357 -1.424
684 2HG2 ILE 48 2HG2 ILE 48 -2.230 -0.933 -0.269
685 3HG2 ILE 48 3HG2 ILE 48 -3.700 -0.605 -1.082
686 1HD1 ILE 48 1HD1 ILE 48 0.025 1.717 1.259
687 2HD1 ILE 48 2HD1 ILE 48 -0.783 1.462 -0.312
688 3HD1 ILE 48 3HD1 ILE 48 -1.191 2.934 0.479
689 H TRP 49 H TRP 49 -6.575 1.751 0.183
690 HA TRP 49 HA TRP 49 -7.487 0.882 -2.317
691 1HB TRP 49 1HB TRP 49 -8.758 0.947 -0.428
692 2HB TRP 49 2HB TRP 49 -8.922 2.774 -0.610
693 HD1 TRP 49 HD1 TRP 49 -9.227 -0.184 -2.921
694 HE1 TRP 49 HE1 TRP 49 -11.164 0.189 -4.602
695 HE3 TRP 49 HE3 TRP 49 -10.163 4.546 -1.837
696 HZ2 TRP 49 HZ2 TRP 49 -13.017 2.215 -5.169
697 HZ3 TRP 49 HZ3 TRP 49 -11.684 5.918 -3.205
698 HH2 TRP 49 HH2 TRP 49 -13.109 4.955 -4.835
699 H PHE 50 H PHE 50 -7.053 4.342 -1.109
700 HA PHE 50 HA PHE 50 -7.897 5.348 -3.554
701 1HB PHE 50 1HB PHE 50 -6.432 6.478 -1.308
702 2HB PHE 50 2HB PHE 50 -6.142 7.442 -2.676
703 HD1 PHE 50 HD1 PHE 50 -7.777 9.112 -3.199
704 HD2 PHE 50 HD2 PHE 50 -8.906 5.861 -0.555
705 HE1 PHE 50 HE1 PHE 50 -9.904 10.289 -2.496
706 HE2 PHE 50 HE2 PHE 50 -10.714 7.279 0.369
707 HZ PHE 50 HZ PHE 50 -11.096 9.516 -0.530
708 H LYS 51 H LYS 51 -4.581 4.450 -2.782
709 HA LYS 51 HA LYS 51 -3.212 5.490 -5.065
710 1HB LYS 51 1HB LYS 51 -2.350 3.602 -2.817
711 2HB LYS 51 2HB LYS 51 -1.384 3.955 -4.259
712 1HG LYS 51 1HG LYS 51 -1.931 6.580 -3.586
713 2HG LYS 51 2HG LYS 51 -2.089 5.873 -2.048
714 1HD LYS 51 1HD LYS 51 0.276 5.978 -3.836
715 2HD LYS 51 2HD LYS 51 0.153 6.744 -2.286
716 1HE LYS 51 1HE LYS 51 0.299 4.488 -1.252
717 2HE LYS 51 2HE LYS 51 0.510 3.718 -2.884
718 1HZ LYS 51 1HZ LYS 51 2.623 4.433 -1.583
719 2HZ LYS 51 2HZ LYS 51 2.258 5.856 -2.263
720 3HZ LYS 51 3HZ LYS 51 2.592 4.654 -3.189
721 H ASN 52 H ASN 52 -4.319 2.198 -3.938
722 HA ASN 52 HA ASN 52 -3.575 1.085 -6.548
723 1HB ASN 52 1HB ASN 52 -4.481 -0.962 -5.919
724 2HB ASN 52 2HB ASN 52 -3.915 -0.171 -4.382
725 1HD2 ASN 52 1HD2 ASN 52 -5.298 -1.310 -3.016
726 2HD2 ASN 52 2HD2 ASN 52 -7.094 -1.356 -3.253
727 H ARG 53 H ARG 53 -6.824 2.396 -5.704
728 HA ARG 53 HA ARG 53 -7.959 2.065 -8.117
729 1HB ARG 53 1HB ARG 53 -8.905 2.912 -5.818
730 2HB ARG 53 2HB ARG 53 -8.337 4.428 -6.146
731 1HG ARG 53 1HG ARG 53 -9.984 2.939 -8.241
732 2HG ARG 53 2HG ARG 53 -10.834 3.613 -6.749
733 1HD ARG 53 1HD ARG 53 -10.378 5.778 -7.441
734 2HD ARG 53 2HD ARG 53 -9.304 5.218 -8.732
735 HE ARG 53 HE ARG 53 -11.952 4.109 -8.927
736 1HH1 ARG 53 2HH2 ARG 53 -10.137 6.992 -9.910
737 2HH1 ARG 53 1HH2 ARG 53 -10.957 7.066 -11.468
738 1HH2 ARG 53 2HH1 ARG 53 -13.060 4.456 -10.940
739 2HH2 ARG 53 1HH1 ARG 53 -12.374 5.736 -11.963
740 H ARG 54 H ARG 54 -5.885 4.933 -7.322
741 HA ARG 54 HA ARG 54 -6.477 6.005 -9.979
742 1HB ARG 54 1HB ARG 54 -5.049 7.770 -9.427
743 2HB ARG 54 2HB ARG 54 -6.125 7.460 -8.034
744 1HG ARG 54 1HG ARG 54 -3.689 6.086 -7.547
745 2HG ARG 54 2HG ARG 54 -3.124 7.344 -8.474
746 1HD ARG 54 1HD ARG 54 -4.598 7.561 -5.748
747 2HD ARG 54 2HD ARG 54 -3.053 8.265 -6.225
748 HE ARG 54 HE ARG 54 -4.336 9.939 -7.466
749 1HH1 ARG 54 2HH1 ARG 54 -6.477 7.866 -5.436
750 2HH1 ARG 54 1HH1 ARG 54 -7.680 9.098 -5.733
751 1HH2 ARG 54 2HH2 ARG 54 -5.897 11.456 -7.158
752 2HH2 ARG 54 1HH2 ARG 54 -7.305 11.099 -6.173
753 H ARG 55 H ARG 55 -3.855 4.027 -8.781
754 HA ARG 55 HA ARG 55 -2.414 4.072 -11.068
755 1HB ARG 55 1HB ARG 55 -2.417 2.063 -8.911
756 2HB ARG 55 2HB ARG 55 -1.240 1.948 -10.159
757 1HG ARG 55 1HG ARG 55 -1.675 4.416 -8.425
758 2HG ARG 55 2HG ARG 55 -0.489 3.138 -8.096
759 1HD ARG 55 1HD ARG 55 -0.632 5.122 -10.300
760 2HD ARG 55 2HD ARG 55 0.570 5.097 -8.929
761 HE ARG 55 HE ARG 55 0.975 3.724 -11.512
762 1HH1 ARG 55 2HH1 ARG 55 1.654 3.321 -7.955
763 2HH1 ARG 55 1HH1 ARG 55 2.658 1.986 -8.449
764 1HH2 ARG 55 2HH2 ARG 55 2.874 2.703 -11.706
765 2HH2 ARG 55 1HH2 ARG 55 3.558 1.982 -10.290
766 H ARG 56 H ARG 56 -4.723 1.585 -10.003
767 HA ARG 56 HA ARG 56 -4.574 0.028 -12.407
768 1HB ARG 56 1HB ARG 56 -5.527 -0.637 -10.112
769 2HB ARG 56 2HB ARG 56 -6.927 0.405 -10.455
770 1HG ARG 56 1HG ARG 56 -7.299 -1.174 -12.538
771 2HG ARG 56 2HG ARG 56 -6.059 -2.194 -11.822
772 1HD ARG 56 1HD ARG 56 -8.757 -1.297 -10.626
773 2HD ARG 56 2HD ARG 56 -8.584 -2.691 -11.516
774 HE ARG 56 HE ARG 56 -7.122 -3.543 -9.627
775 1HH1 ARG 56 2HH1 ARG 56 -8.354 -0.237 -8.757
776 2HH1 ARG 56 1HH1 ARG 56 -7.558 -0.442 -7.213
777 1HH2 ARG 56 2HH2 ARG 56 -6.204 -3.514 -7.590
778 2HH2 ARG 56 1HH2 ARG 56 -6.699 -2.241 -6.443
779 H HIS 57 H HIS 57 -7.013 2.442 -11.463
780 HA HIS 57 HA HIS 57 -8.556 2.365 -13.701
781 1HB HIS 57 1HB HIS 57 -9.100 3.760 -11.723
782 2HB HIS 57 2HB HIS 57 -7.885 4.981 -12.259
783 HD1 HIS 57 HD1 HIS 57 -11.026 3.216 -13.819
784 HD2 HIS 57 HD2 HIS 57 -9.212 6.998 -13.524
785 HE1 HIS 57 HE1 HIS 57 -12.601 4.898 -14.949
786 H LYS 58 H LYS 58 -5.683 4.642 -13.331
787 HA LYS 58 HA LYS 58 -5.800 5.210 -16.163
788 1HB LYS 58 1HB LYS 58 -3.751 6.565 -15.861
789 2HB LYS 58 2HB LYS 58 -4.646 6.783 -14.492
790 1HG LYS 58 1HG LYS 58 -3.284 5.135 -13.318
791 2HG LYS 58 2HG LYS 58 -2.255 4.903 -14.826
792 1HD LYS 58 1HD LYS 58 -1.880 7.263 -14.665
793 2HD LYS 58 2HD LYS 58 -2.548 7.211 -12.999
794 1HE LYS 58 1HE LYS 58 -0.897 5.487 -12.278
795 2HE LYS 58 2HE LYS 58 -0.356 5.348 -13.928
796 1HZ LYS 58 1HZ LYS 58 0.477 7.535 -13.835
797 2HZ LYS 58 2HZ LYS 58 1.215 6.535 -12.806
798 3HZ LYS 58 3HZ LYS 58 0.065 7.643 -12.199
799 H ILE 59 H ILE 59 -3.765 2.795 -14.557
800 HA ILE 59 HA ILE 59 -2.273 1.986 -16.829
801 HB ILE 59 HB ILE 59 -3.133 0.627 -14.349
802 1HG1 ILE 59 1HG1 ILE 59 -0.306 1.027 -15.290
803 2HG1 ILE 59 2HG1 ILE 59 -1.038 2.321 -14.418
804 1HG2 ILE 59 1HG2 ILE 59 -3.064 -1.276 -15.887
805 2HG2 ILE 59 2HG2 ILE 59 -1.605 -0.698 -16.649
806 3HG2 ILE 59 3HG2 ILE 59 -1.615 -1.326 -15.079
807 1HD1 ILE 59 1HD1 ILE 59 -0.464 -0.324 -13.237
808 2HD1 ILE 59 2HD1 ILE 59 -0.081 1.446 -12.777
809 3HD1 ILE 59 3HD1 ILE 59 -1.579 0.824 -12.491
810 H GLN 60 H GLN 60 -5.435 0.864 -15.760
811 HA GLN 60 HA GLN 60 -5.810 -0.981 -17.861
812 1HB GLN 60 1HB GLN 60 -7.640 0.437 -15.904
813 2HB GLN 60 2HB GLN 60 -8.244 -0.641 -17.193
814 1HG GLN 60 1HG GLN 60 -6.087 -1.631 -15.346
815 2HG GLN 60 2HG GLN 60 -7.756 -1.498 -14.780
816 1HE2 GLN 60 1HE2 GLN 60 -5.651 -3.750 -15.660
817 2HE2 GLN 60 2HE2 GLN 60 -6.553 -4.661 -16.842
818 H SER 61 H SER 61 -6.138 2.417 -17.820
819 HA SER 61 HA SER 61 -7.883 2.896 -20.328
820 1HB SER 61 1HB SER 61 -6.167 4.668 -18.550
821 2HB SER 61 2HB SER 61 -7.242 5.206 -19.926
822 HG SER 61 HG SER 61 -8.218 3.848 -17.538
823 H ASP 62 H ASP 62 -4.430 2.895 -19.237
824 HA ASP 62 HA ASP 62 -3.649 3.198 -22.005
825 1HB ASP 62 1HB ASP 62 -2.278 4.039 -20.297
826 2HB ASP 62 2HB ASP 62 -2.056 2.489 -19.517
827 H GLN 63 H GLN 63 -4.379 0.398 -20.207
828 HA GLN 63 HA GLN 63 -3.106 -1.658 -21.827
829 1HB GLN 63 1HB GLN 63 -3.649 -1.747 -19.485
830 2HB GLN 63 2HB GLN 63 -5.353 -2.019 -19.847
831 1HG GLN 63 1HG GLN 63 -4.796 -4.185 -20.735
832 2HG GLN 63 2HG GLN 63 -3.046 -3.873 -20.720
833 1HE2 GLN 63 1HE2 GLN 63 -2.144 -3.630 -18.302
834 2HE2 GLN 63 2HE2 GLN 63 -3.056 -4.660 -17.112
835 H HIS 64 H HIS 64 -5.721 0.322 -22.494
836 HA HIS 64 HA HIS 64 -6.810 -1.630 -24.476
837 1HB HIS 64 1HB HIS 64 -8.209 -1.822 -22.326
838 2HB HIS 64 2HB HIS 64 -8.431 -0.169 -22.331
839 HD1 HIS 64 HD1 HIS 64 -10.013 0.423 -24.856
840 HD2 HIS 64 HD2 HIS 64 -9.715 -3.450 -23.425
841 HE1 HIS 64 HE1 HIS 64 -11.827 -0.862 -25.954
842 H LYS 65 H LYS 65 -5.336 0.148 -25.317
843 HA LYS 65 HA LYS 65 -6.138 2.892 -25.826
844 1HB LYS 65 1HB LYS 65 -3.763 1.967 -26.404
845 2HB LYS 65 2HB LYS 65 -4.547 1.234 -27.804
846 1HG LYS 65 1HG LYS 65 -4.933 3.257 -28.864
847 2HG LYS 65 2HG LYS 65 -4.789 4.166 -27.361
848 1HD LYS 65 1HD LYS 65 -2.414 3.387 -27.229
849 2HD LYS 65 2HD LYS 65 -2.682 2.573 -28.726
850 1HE LYS 65 1HE LYS 65 -3.369 5.453 -28.662
851 2HE LYS 65 2HE LYS 65 -1.657 5.191 -28.825
852 1HZ LYS 65 1HZ LYS 65 -1.836 3.868 -30.669
853 2HZ LYS 65 2HZ LYS 65 -2.323 5.315 -31.039
854 3HZ LYS 65 3HZ LYS 65 -3.518 4.146 -30.777
855 H ASP 66 H ASP 66 -7.326 0.061 -27.708
856 HA ASP 66 HA ASP 66 -9.731 1.590 -27.843
857 1HB ASP 66 1HB ASP 66 -8.326 2.550 -29.826
858 2HB ASP 66 2HB ASP 66 -8.544 0.915 -30.605
859 H GLN 67 H GLN 67 -7.846 -1.296 -28.358
860 HA GLN 67 HA GLN 67 -10.189 -3.077 -28.429
861 1HB GLN 67 1HB GLN 67 -9.220 -2.561 -30.764
862 2HB GLN 67 2HB GLN 67 -7.745 -3.315 -30.086
863 1HG GLN 67 1HG GLN 67 -9.107 -5.355 -29.723
864 2HG GLN 67 2HG GLN 67 -10.530 -4.628 -30.359
865 1HE2 GLN 67 2HE2 GLN 67 -7.699 -6.350 -31.121
866 2HE2 GLN 67 1HE2 GLN 67 -7.467 -5.940 -32.863
867 H SER 68 H SER 68 -9.894 -5.052 -27.462
868 HA SER 68 HA SER 68 -7.251 -6.153 -26.964
869 1HB SER 68 1HB SER 68 -8.854 -5.167 -24.641
870 2HB SER 68 2HB SER 68 -7.548 -6.340 -24.397
871 HG SER 68 HG SER 68 -7.151 -3.880 -25.659
Start of MODEL 10
1 1H5* G 69 1H5* G 69 10.136 -21.754 -12.337
2 2H5* G 69 2H5* G 69 11.477 -21.467 -13.464
3 H4* G 69 H4* G 69 9.925 -20.468 -14.791
4 H3* G 69 H3* G 69 10.887 -18.453 -13.109
5 H1* G 69 H1* G 69 7.234 -19.020 -14.279
6 H8 G 69 H8 G 69 7.665 -19.556 -10.576
7 H1 G 69 H1 G 69 1.607 -19.558 -12.746
8 1H2 G 69 1H2 G 69 3.300 -18.997 -15.792
9 2H2 G 69 2H2 G 69 1.749 -19.313 -15.063
10 H5T G 69 H5T G 69 10.778 -20.135 -10.991
11 1H2* G 69 1H2* G 69 9.091 -18.363 -11.921
12 2H2* G 69 2H2* G 69 8.499 -17.274 -13.199
13 1H5* C 70 1H5* C 70 7.975 -18.187 -16.295
14 2H5* C 70 2H5* C 70 8.711 -17.193 -17.727
15 H4* C 70 H4* C 70 6.524 -17.209 -18.240
16 H3* C 70 H3* C 70 7.622 -14.744 -17.864
17 H1* C 70 H1* C 70 4.182 -15.524 -16.421
18 1H4 C 70 1H4 C 70 5.508 -16.140 -9.894
19 2H4 C 70 2H4 C 70 3.773 -16.072 -10.153
20 H5 C 70 H5 C 70 7.066 -16.109 -11.657
21 H6 C 70 H6 C 70 7.194 -15.668 -14.184
22 1H2* C 70 1H2* C 70 6.768 -14.268 -15.711
23 2H2* C 70 2H2* C 70 5.383 -13.698 -16.625
24 1H5* T 71 1H5* T 71 3.186 -15.040 -18.913
25 2H5* T 71 2H5* T 71 2.188 -14.035 -19.933
26 H4* T 71 H4* T 71 0.986 -14.360 -17.865
27 H3* T 71 H3* T 71 2.035 -11.691 -18.638
28 1H2* T 71 1H2* T 71 2.813 -11.275 -16.745
29 2H2* T 71 2H2* T 71 1.153 -10.849 -16.117
30 H1* T 71 H1* T 71 0.683 -13.217 -15.655
31 H3 T 71 H3 T 71 1.890 -13.358 -11.329
32 1H5M T 71 1H5M T 71 6.458 -12.281 -13.907
33 2H5M T 71 2H5M T 71 6.112 -11.670 -12.234
34 3H5M T 71 3H5M T 71 6.400 -13.358 -12.417
35 H6 T 71 H6 T 71 4.494 -12.249 -15.253
36 1H5* C 72 1H5* C 72 -1.987 -12.088 -16.436
37 2H5* C 72 2H5* C 72 -3.298 -11.152 -17.200
38 H4* C 72 H4* C 72 -3.692 -11.235 -14.903
39 H3* C 72 H3* C 72 -3.295 -8.724 -16.136
40 H1* C 72 H1* C 72 -2.376 -9.817 -12.650
41 1H4 C 72 1H4 C 72 4.134 -10.063 -11.516
42 2H4 C 72 2H4 C 72 3.120 -10.338 -10.037
43 H5 C 72 H5 C 72 3.016 -9.421 -13.528
44 H6 C 72 H6 C 72 0.654 -9.251 -14.627
45 1H2* C 72 1H2* C 72 -1.174 -8.550 -15.151
46 2H2* C 72 2H2* C 72 -1.900 -7.536 -14.034
47 1H5* T 73 1H5* T 73 -4.500 -9.395 -11.580
48 2H5* T 73 2H5* T 73 -6.132 -8.786 -11.591
49 H4* T 73 H4* T 73 -5.747 -8.568 -9.393
50 H3* T 73 H3* T 73 -6.088 -6.059 -10.813
51 1H2* T 73 1H2* T 73 -3.902 -5.698 -11.156
52 2H2* T 73 2H2* T 73 -4.059 -4.699 -9.707
53 H1* T 73 H1* T 73 -3.607 -6.580 -8.210
54 H3 T 73 H3 T 73 0.790 -7.524 -7.557
55 1H5M T 73 1H5M T 73 -0.051 -5.420 -12.440
56 2H5M T 73 2H5M T 73 1.366 -4.786 -11.568
57 3H5M T 73 3H5M T 73 1.317 -6.480 -12.213
58 H6 T 73 H6 T 73 -1.851 -5.959 -11.362
59 1H5* A 74 1H5* A 74 -5.486 -5.745 -6.400
60 2H5* A 74 2H5* A 74 -6.277 -4.446 -5.686
61 H4* A 74 H4* A 74 -4.159 -5.124 -4.536
62 H3* A 74 H3* A 74 -5.165 -2.467 -4.696
63 H1* A 74 H1* A 74 -1.643 -3.626 -4.651
64 H8 A 74 H8 A 74 -2.016 -1.917 -8.113
65 1H6 A 74 1H6 A 74 3.683 -4.273 -9.172
66 2H6 A 74 2H6 A 74 2.456 -3.081 -9.773
67 H2 A 74 H2 A 74 2.331 -5.854 -5.430
68 1H2* A 74 1H2* A 74 -3.517 -1.877 -6.419
69 2H2* A 74 2H2* A 74 -2.814 -1.414 -4.922
70 1H5* A 75 1H5* A 75 -2.670 -5.199 -1.947
71 2H5* A 75 2H5* A 75 -2.940 -5.522 -0.302
72 H4* A 75 H4* A 75 -0.840 -5.172 -0.054
73 H3* A 75 H3* A 75 -1.868 -2.648 0.587
74 H1* A 75 H1* A 75 1.527 -3.494 -1.306
75 H8 A 75 H8 A 75 -0.717 -0.987 -3.138
76 1H6 A 75 1H6 A 75 3.588 -1.546 -7.528
77 2H6 A 75 2H6 A 75 2.329 -0.481 -7.047
78 H2 A 75 H2 A 75 4.793 -4.087 -4.292
79 1H2* A 75 1H2* A 75 -0.818 -1.476 -1.004
80 2H2* A 75 2H2* A 75 0.572 -1.682 -0.032
81 1H5* T 76 1H5* T 76 2.065 -4.677 1.163
82 2H5* T 76 2H5* T 76 2.962 -4.572 2.677
83 H4* T 76 H4* T 76 4.565 -4.772 0.747
84 H3* T 76 H3* T 76 4.659 -2.759 2.730
85 1H2* T 76 1H2* T 76 4.250 -1.081 1.278
86 2H2* T 76 2H2* T 76 6.052 -1.291 0.985
87 H1* T 76 H1* T 76 5.668 -2.877 -0.810
88 H3 T 76 H3 T 76 5.580 0.007 -4.211
89 1H5M T 76 1H5M T 76 1.356 1.075 -1.121
90 2H5M T 76 2H5M T 76 2.301 2.280 -1.999
91 3H5M T 76 3H5M T 76 1.257 1.419 -3.025
92 H6 T 76 H6 T 76 2.807 -0.300 -0.325
93 1H5* C 77 1H5* C 77 9.068 -3.190 0.793
94 2H5* C 77 2H5* C 77 10.136 -3.175 2.114
95 H4* C 77 H4* C 77 11.111 -1.973 0.492
96 H3* C 77 H3* C 77 10.879 -1.066 2.944
97 H1* C 77 H1* C 77 10.418 1.165 -0.050
98 1H4 C 77 1H4 C 77 4.171 3.121 -0.681
99 2H4 C 77 2H4 C 77 4.959 3.557 -2.176
100 H5 C 77 H5 C 77 5.147 1.705 0.994
101 H6 C 77 H6 C 77 7.226 0.759 1.784
102 1H2* C 77 1H2* C 77 9.010 0.227 2.517
103 2H2* C 77 2H2* C 77 10.138 1.557 2.365
104 1H5* C 78 1H5* C 78 12.963 1.241 -0.296
105 2H5* C 78 2H5* C 78 14.478 2.073 0.140
106 H4* C 78 H4* C 78 13.537 3.419 -1.585
107 H3* C 78 H3* C 78 13.955 4.624 1.093
108 H1* C 78 H1* C 78 11.224 5.437 -1.575
109 1H4 C 78 1H4 C 78 5.769 5.239 1.978
110 2H4 C 78 2H4 C 78 5.478 5.372 0.200
111 H5 C 78 H5 C 78 8.055 4.005 2.595
112 H6 C 78 H6 C 78 10.303 3.805 1.755
113 1H2* C 78 1H2* C 78 11.925 5.544 1.340
114 2H2* C 78 2H2* C 78 12.243 6.598 0.095
115 1H5* C 79 1H5* C 79 13.601 6.959 -2.521
116 2H5* C 79 2H5* C 79 14.810 8.294 -2.807
117 H4* C 79 H4* C 79 12.756 8.995 -3.597
118 H3* C 79 H3* C 79 14.010 10.412 -1.480
119 H1* C 79 H1* C 79 10.723 10.171 -2.226
120 1H4 C 79 1H4 C 79 6.588 7.931 2.531
121 2H4 C 79 2H4 C 79 5.722 8.616 1.136
122 H5 C 79 H5 C 79 9.064 7.670 2.272
123 H6 C 79 H6 C 79 10.931 8.005 0.682
124 1H2* C 79 1H2* C 79 12.445 9.635 0.096
125 2H2* C 79 2H2* C 79 11.632 11.252 -0.322
126 1H5* C 80 1H5* C 80 11.986 11.042 -5.509
127 2H5* C 80 2H5* C 80 12.253 12.150 -6.757
128 H4* C 80 H4* C 80 10.019 12.067 -6.561
129 H3* C 80 H3* C 80 11.468 14.480 -6.212
130 H1* C 80 H1* C 80 8.173 13.826 -4.379
131 1H4 C 80 1H4 C 80 9.175 12.810 1.934
132 2H4 C 80 2H4 C 80 7.508 12.452 1.624
133 H5 C 80 H5 C 80 10.768 13.462 0.383
134 H6 C 80 H6 C 80 11.121 13.789 -2.187
135 1H2* C 80 1H2* C 80 10.991 14.884 -4.034
136 2H2* C 80 2H2* C 80 9.607 15.654 -4.665
137 1H5* G 81 1H5* G 81 6.811 15.749 -6.909
138 2H5* G 81 2H5* G 81 6.946 17.221 -7.881
139 H4* G 81 H4* G 81 5.429 17.716 -6.041
140 H3* G 81 H3* G 81 7.907 19.154 -6.434
141 H1* G 81 H1* G 81 6.016 18.392 -3.372
142 H8 G 81 H8 G 81 9.518 17.272 -2.678
143 H1 G 81 H1 G 81 5.293 15.552 1.805
144 1H2 G 81 1H2 G 81 3.007 15.738 -0.786
145 2H2 G 81 2H2 G 81 3.349 15.326 0.880
146 H3T G 81 H3T G 81 6.600 20.811 -5.185
147 1H2* G 81 1H2* G 81 8.849 18.249 -4.364
148 2H2* G 81 2H2* G 81 8.091 19.775 -3.784
149 1H5* C 82 1H5* C 82 0.729 16.013 8.427
150 2H5* C 82 2H5* C 82 -0.868 15.288 8.517
151 H4* C 82 H4* C 82 -0.308 15.424 6.224
152 H3* C 82 H3* C 82 -0.017 12.616 7.239
153 H1* C 82 H1* C 82 1.032 14.614 4.401
154 1H4 C 82 1H4 C 82 7.488 14.130 4.821
155 2H4 C 82 2H4 C 82 6.865 14.996 3.319
156 H5 C 82 H5 C 82 5.945 13.300 6.275
157 H6 C 82 H6 C 82 3.400 12.857 6.564
158 H5T C 82 H5T C 82 0.672 14.601 9.946
159 1H2* C 82 1H2* C 82 1.443 12.026 5.847
160 2H2* C 82 2H2* C 82 0.276 12.589 4.462
161 1H5* G 83 1H5* G 83 -2.584 13.427 3.965
162 2H5* G 83 2H5* G 83 -3.803 12.286 3.324
163 H4* G 83 H4* G 83 -2.779 13.233 1.534
164 H3* G 83 H3* G 83 -3.105 10.381 1.547
165 H1* G 83 H1* G 83 0.109 12.036 0.155
166 H8 G 83 H8 G 83 0.815 10.584 3.435
167 H1 G 83 H1 G 83 5.938 12.389 0.035
168 1H2 G 83 1H2 G 83 3.359 12.878 -2.189
169 2H2 G 83 2H2 G 83 5.066 12.963 -2.121
170 1H2* G 83 1H2* G 83 -0.759 9.945 2.124
171 2H2* G 83 2H2* G 83 -0.902 9.774 0.388
172 1H5* G 84 1H5* G 84 -1.607 12.494 -2.468
173 2H5* G 84 2H5* G 84 -2.933 12.312 -3.726
174 H4* G 84 H4* G 84 -1.134 12.690 -5.061
175 H3* G 84 H3* G 84 -2.577 10.380 -5.071
176 H1* G 84 H1* G 84 1.475 10.088 -4.920
177 H8 G 84 H8 G 84 -0.726 9.377 -1.861
178 H1 G 84 H1 G 84 5.648 9.389 -1.074
179 1H2 G 84 1H2 G 84 5.635 10.504 -4.194
180 2H2 G 84 2H2 G 84 6.532 10.321 -2.793
181 1H2* G 84 1H2* G 84 -1.203 8.996 -3.917
182 2H2* G 84 2H2* G 84 -0.359 8.793 -5.439
183 1H5* G 85 1H5* G 85 1.216 10.554 -7.699
184 2H5* G 85 2H5* G 85 0.997 10.133 -9.414
185 H4* G 85 H4* G 85 3.189 9.306 -8.997
186 H3* G 85 H3* G 85 1.259 7.210 -9.495
187 H1* G 85 H1* G 85 4.005 7.124 -7.086
188 H8 G 85 H8 G 85 0.743 6.658 -4.936
189 H1 G 85 H1 G 85 6.159 6.283 -1.640
190 1H2 G 85 1H2 G 85 7.707 7.596 -4.426
191 2H2 G 85 2H2 G 85 7.912 6.853 -2.920
192 1H2* G 85 1H2* G 85 0.970 6.719 -7.278
193 2H2* G 85 2H2* G 85 2.184 5.573 -7.587
194 1H5* G 86 1H5* G 86 6.137 7.973 -9.650
195 2H5* G 86 2H5* G 86 6.485 8.671 -11.154
196 H4* G 86 H4* G 86 8.502 7.878 -10.836
197 H3* G 86 H3* G 86 7.498 5.821 -12.466
198 H1* G 86 H1* G 86 8.541 4.692 -9.003
199 H8 G 86 H8 G 86 4.783 5.121 -9.155
200 H1 G 86 H1 G 86 7.004 3.521 -3.336
201 1H2 G 86 1H2 G 86 10.206 3.888 -4.762
202 2H2 G 86 2H2 G 86 9.244 3.212 -3.464
203 1H2* G 86 1H2* G 86 6.202 4.661 -10.882
204 2H2* G 86 2H2* G 86 7.654 3.710 -10.750
205 1H5* A 87 1H5* A 87 11.736 4.106 -11.007
206 2H5* A 87 2H5* A 87 12.317 3.115 -12.274
207 H4* A 87 H4* A 87 13.211 2.272 -10.342
208 H3* A 87 H3* A 87 12.330 0.668 -12.171
209 H1* A 87 H1* A 87 11.038 0.087 -8.527
210 H8 A 87 H8 A 87 8.327 1.599 -10.759
211 1H6 A 87 1H6 A 87 4.477 1.169 -5.977
212 2H6 A 87 2H6 A 87 4.785 1.576 -7.631
213 H2 A 87 H2 A 87 8.597 0.409 -4.488
214 1H2* A 87 1H2* A 87 10.085 0.527 -11.451
215 2H2* A 87 2H2* A 87 10.549 -0.917 -10.724
216 1H5* T 88 1H5* T 88 13.359 -0.691 -7.933
217 2H5* T 88 2H5* T 88 14.256 -2.062 -7.964
218 H4* T 88 H4* T 88 13.122 -2.231 -5.800
219 H3* T 88 H3* T 88 13.155 -4.457 -7.412
220 1H2* T 88 1H2* T 88 11.216 -4.030 -8.566
221 2H2* T 88 2H2* T 88 10.559 -5.119 -7.365
222 H1* T 88 H1* T 88 10.192 -3.658 -5.698
223 H3 T 88 H3 T 88 5.864 -2.377 -6.123
224 1H5M T 88 1H5M T 88 8.162 -1.409 -10.880
225 2H5M T 88 2H5M T 88 6.703 -2.526 -10.894
226 3H5M T 88 3H5M T 88 6.579 -0.798 -10.394
227 H6 T 88 H6 T 88 9.592 -2.414 -9.156
228 1H5* T 89 1H5* T 89 10.571 -5.246 -3.048
229 2H5* T 89 2H5* T 89 11.439 -6.813 -2.748
230 H4* T 89 H4* T 89 9.008 -7.038 -2.112
231 H3* T 89 H3* T 89 10.361 -8.875 -3.564
232 1H2* T 89 1H2* T 89 9.598 -8.177 -5.604
233 2H2* T 89 2H2* T 89 8.203 -9.349 -5.329
234 H1* T 89 H1* T 89 6.869 -7.848 -4.288
235 H3 T 89 H3 T 89 4.400 -5.451 -7.044
236 1H5M T 89 1H5M T 89 8.164 -4.595 -9.783
237 2H5M T 89 2H5M T 89 9.376 -5.824 -9.251
238 3H5M T 89 3H5M T 89 8.023 -6.397 -10.094
239 H6 T 89 H6 T 89 9.053 -6.567 -7.127
240 1H5* A 90 1H5* A 90 7.095 -8.697 0.017
241 2H5* A 90 2H5* A 90 7.179 -10.042 1.181
242 H4* A 90 H4* A 90 4.977 -9.636 0.796
243 H3* A 90 H3* A 90 5.790 -12.137 0.241
244 H1* A 90 H1* A 90 3.106 -10.398 -1.820
245 H8 A 90 H8 A 90 6.449 -10.626 -3.688
246 1H6 A 90 1H6 A 90 3.169 -7.890 -8.334
247 2H6 A 90 2H6 A 90 4.742 -8.576 -7.956
248 H2 A 90 H2 A 90 0.548 -8.341 -4.855
249 1H2* A 90 1H2* A 90 5.915 -11.772 -1.958
250 2H2* A 90 2H2* A 90 4.325 -12.563 -1.917
251 1H5* G 91 1H5* G 91 1.398 -11.050 -1.020
252 2H5* G 91 2H5* G 91 0.688 -11.693 0.349
253 H4* G 91 H4* G 91 -1.164 -11.787 -0.620
254 H3* G 91 H3* G 91 -0.235 -14.336 -0.665
255 H1* G 91 H1* G 91 -1.209 -12.884 -4.204
256 H8 G 91 H8 G 91 2.514 -13.149 -3.392
257 H1 G 91 H1 G 91 0.827 -10.296 -8.873
258 1H2 G 91 1H2 G 91 -2.354 -10.396 -7.624
259 2H2 G 91 2H2 G 91 -1.350 -10.062 -8.914
260 1H2* G 91 1H2* G 91 0.700 -14.414 -2.822
261 2H2* G 91 2H2* G 91 -0.966 -14.783 -3.196
262 1H5* A 92 1H5* A 92 -3.639 -13.296 -3.339
263 2H5* A 92 2H5* A 92 -5.053 -14.372 -3.193
264 H4* A 92 H4* A 92 -4.762 -14.245 -5.492
265 H3* A 92 H3* A 92 -4.553 -16.742 -4.465
266 H1* A 92 H1* A 92 -2.702 -15.467 -7.240
267 H8 A 92 H8 A 92 0.095 -16.179 -4.782
268 1H6 A 92 1H6 A 92 3.395 -13.932 -9.514
269 2H6 A 92 2H6 A 92 3.482 -14.992 -8.082
270 H2 A 92 H2 A 92 -0.673 -12.939 -10.239
271 1H2* A 92 1H2* A 92 -2.114 -16.642 -4.507
272 2H2* A 92 2H2* A 92 -2.720 -17.533 -6.040
273 1H5* G 93 1H5* G 93 -5.684 -14.503 -8.430
274 2H5* G 93 2H5* G 93 -7.338 -14.548 -8.726
275 H4* G 93 H4* G 93 -6.690 -14.142 -10.826
276 H3* G 93 H3* G 93 -7.533 -16.704 -10.570
277 H1* G 93 H1* G 93 -4.277 -15.963 -12.343
278 H8 G 93 H8 G 93 -3.748 -17.585 -9.008
279 H1 G 93 H1 G 93 1.719 -16.291 -12.213
280 1H2 G 93 1H2 G 93 -0.552 -15.440 -14.610
281 2H2 G 93 2H2 G 93 1.090 -15.715 -14.218
282 1H2* G 93 1H2* G 93 -5.347 -17.638 -10.151
283 2H2* G 93 2H2* G 93 -5.354 -17.872 -11.834
284 1H5* C 94 1H5* C 94 -5.419 -15.620 -14.427
285 2H5* C 94 2H5* C 94 -6.338 -16.021 -15.745
286 H4* C 94 H4* C 94 -4.111 -16.348 -16.416
287 H3* C 94 H3* C 94 -5.867 -18.492 -16.586
288 H1* C 94 H1* C 94 -2.256 -18.284 -15.866
289 1H4 C 94 1H4 C 94 -0.657 -21.246 -10.207
290 2H4 C 94 2H4 C 94 0.808 -20.519 -10.920
291 H5 C 94 H5 C 94 -2.834 -20.736 -11.084
292 H6 C 94 H6 C 94 -4.011 -19.820 -12.847
293 H3T C 94 H3T C 94 -4.762 -17.606 -18.409
294 1H2* C 94 1H2* C 94 -4.769 -19.603 -14.819
295 2H2* C 94 2H2* C 94 -3.700 -20.069 -16.254
296 1H GLY 1 1H GLY 1 2.258 -13.507 4.777
297 2H GLY 1 2H GLY 1 3.726 -13.845 5.537
298 3H GLY 1 3H GLY 1 3.462 -14.058 3.880
299 1HA GLY 1 1HA GLY 1 4.857 -12.284 4.227
300 2HA GLY 1 2HA GLY 1 3.348 -11.800 3.465
301 HA PRO 2 HA PRO 2 3.598 -10.351 8.183
302 1HB PRO 2 1HB PRO 2 6.484 -9.569 7.748
303 2HB PRO 2 2HB PRO 2 5.771 -9.797 9.316
304 1HG PRO 2 1HG PRO 2 7.218 -11.905 8.224
305 2HG PRO 2 2HG PRO 2 5.585 -12.254 8.787
306 1HD PRO 2 1HD PRO 2 6.395 -11.576 5.954
307 2HD PRO 2 2HD PRO 2 5.378 -12.956 6.496
308 H ARG 3 H ARG 3 5.189 -8.897 5.327
309 HA ARG 3 HA ARG 3 4.162 -6.213 6.078
310 1HB ARG 3 1HB ARG 3 6.764 -7.053 4.736
311 2HB ARG 3 2HB ARG 3 5.899 -5.481 4.459
312 1HG ARG 3 1HG ARG 3 6.570 -6.735 7.227
313 2HG ARG 3 2HG ARG 3 7.785 -5.765 6.329
314 1HD ARG 3 1HD ARG 3 5.005 -4.456 6.691
315 2HD ARG 3 2HD ARG 3 5.957 -4.841 8.174
316 HE ARG 3 HE ARG 3 7.001 -3.314 5.824
317 1HH1 ARG 3 2HH1 ARG 3 6.260 -2.989 8.994
318 2HH1 ARG 3 1HH1 ARG 3 7.149 -1.426 9.158
319 1HH2 ARG 3 2HH2 ARG 3 8.632 -1.970 6.226
320 2HH2 ARG 3 1HH2 ARG 3 8.879 -1.288 7.771
321 H ARG 4 H ARG 4 2.418 -7.633 5.251
322 HA ARG 4 HA ARG 4 1.574 -6.316 2.812
323 1HB ARG 4 1HB ARG 4 1.045 -9.249 3.689
324 2HB ARG 4 2HB ARG 4 0.080 -8.444 2.396
325 1HG ARG 4 1HG ARG 4 2.966 -9.326 2.605
326 2HG ARG 4 2HG ARG 4 1.647 -10.184 1.733
327 1HD ARG 4 1HD ARG 4 3.222 -7.757 0.993
328 2HD ARG 4 2HD ARG 4 2.914 -9.250 -0.002
329 HE ARG 4 HE ARG 4 1.844 -6.960 -0.543
330 1HH1 ARG 4 2HH1 ARG 4 -0.300 -9.023 0.950
331 2HH1 ARG 4 1HH1 ARG 4 -1.499 -8.659 -0.187
332 1HH2 ARG 4 2HH2 ARG 4 0.507 -6.940 -2.162
333 2HH2 ARG 4 1HH2 ARG 4 -0.819 -8.138 -2.202
334 H THR 5 H THR 5 -0.878 -6.144 2.941
335 HA THR 5 HA THR 5 -1.870 -5.899 5.715
336 HB THR 5 HB THR 5 -4.159 -5.755 4.282
337 HG1 THR 5 HG1 THR 5 -3.778 -5.749 2.015
338 1HG2 THR 5 1HG2 THR 5 -3.662 -3.529 3.353
339 2HG2 THR 5 2HG2 THR 5 -1.946 -3.889 3.729
340 3HG2 THR 5 3HG2 THR 5 -3.036 -3.781 4.969
341 H ARG 6 H ARG 6 -4.060 -6.978 6.203
342 HA ARG 6 HA ARG 6 -4.609 -9.592 4.951
343 1HB ARG 6 1HB ARG 6 -3.020 -9.863 6.803
344 2HB ARG 6 2HB ARG 6 -4.244 -9.190 7.919
345 1HG ARG 6 1HG ARG 6 -5.728 -10.967 7.357
346 2HG ARG 6 2HG ARG 6 -4.832 -11.457 5.892
347 1HD ARG 6 1HD ARG 6 -4.158 -12.104 8.694
348 2HD ARG 6 2HD ARG 6 -4.501 -13.172 7.365
349 HE ARG 6 HE ARG 6 -1.867 -11.775 7.952
350 1HH1 ARG 6 2HH1 ARG 6 -3.552 -13.830 5.738
351 2HH1 ARG 6 1HH1 ARG 6 -2.097 -14.219 4.881
352 1HH2 ARG 6 2HH2 ARG 6 0.045 -12.405 6.737
353 2HH2 ARG 6 1HH2 ARG 6 -0.325 -13.368 5.313
354 H THR 7 H THR 7 -5.773 -7.519 4.108
355 HA THR 7 HA THR 7 -8.538 -7.351 5.238
356 HB THR 7 HB THR 7 -6.634 -5.049 4.739
357 HG1 THR 7 HG1 THR 7 -6.474 -5.667 6.840
358 1HG2 THR 7 1HG2 THR 7 -8.852 -3.779 5.793
359 2HG2 THR 7 2HG2 THR 7 -9.605 -5.236 4.994
360 3HG2 THR 7 3HG2 THR 7 -8.809 -4.089 3.941
361 H THR 8 H THR 8 -9.819 -7.552 4.038
362 HA THR 8 HA THR 8 -9.454 -7.269 1.012
363 HB THR 8 HB THR 8 -10.946 -9.361 2.620
364 HG1 THR 8 HG1 THR 8 -8.858 -9.666 2.451
365 1HG2 THR 8 1HG2 THR 8 -12.229 -8.893 0.495
366 2HG2 THR 8 2HG2 THR 8 -11.302 -10.387 0.295
367 3HG2 THR 8 3HG2 THR 8 -10.634 -8.952 -0.392
368 H PHE 9 H PHE 9 -10.382 -5.681 0.431
369 HA PHE 9 HA PHE 9 -12.473 -4.130 1.694
370 1HB PHE 9 1HB PHE 9 -11.666 -3.918 -1.091
371 2HB PHE 9 2HB PHE 9 -12.562 -2.778 -0.126
372 HD1 PHE 9 HD1 PHE 9 -11.580 -1.039 0.984
373 HD2 PHE 9 HD2 PHE 9 -9.185 -4.401 -0.082
374 HE1 PHE 9 HE1 PHE 9 -9.636 0.147 1.626
375 HE2 PHE 9 HE2 PHE 9 -7.190 -3.273 0.702
376 HZ PHE 9 HZ PHE 9 -7.368 -0.845 1.407
377 H THR 10 H THR 10 -14.655 -4.390 1.536
378 HA THR 10 HA THR 10 -15.884 -6.415 -0.246
379 HB THR 10 HB THR 10 -17.951 -6.076 0.951
380 HG1 THR 10 HG1 THR 10 -17.500 -4.989 2.961
381 1HG2 THR 10 1HG2 THR 10 -17.144 -7.223 2.989
382 2HG2 THR 10 2HG2 THR 10 -15.438 -6.811 2.491
383 3HG2 THR 10 3HG2 THR 10 -16.404 -7.961 1.568
384 H SER 11 H SER 11 -17.643 -5.733 -1.710
385 HA SER 11 HA SER 11 -17.615 -3.501 -3.286
386 1HB SER 11 1HB SER 11 -20.006 -5.021 -2.428
387 2HB SER 11 2HB SER 11 -20.050 -4.098 -3.839
388 HG SER 11 HG SER 11 -19.555 -6.223 -4.368
389 H SER 12 H SER 12 -19.035 -3.852 -0.065
390 HA SER 12 HA SER 12 -20.629 -1.493 -0.216
391 1HB SER 12 1HB SER 12 -19.877 -2.763 2.365
392 2HB SER 12 2HB SER 12 -21.477 -2.088 1.898
393 HG SER 12 HG SER 12 -21.722 -4.189 2.089
394 H GLN 13 H GLN 13 -17.498 -2.390 1.229
395 HA GLN 13 HA GLN 13 -16.834 0.263 2.400
396 1HB GLN 13 1HB GLN 13 -15.092 -2.151 1.618
397 2HB GLN 13 2HB GLN 13 -14.450 -0.739 2.333
398 1HG GLN 13 1HG GLN 13 -15.891 -0.821 4.206
399 2HG GLN 13 2HG GLN 13 -16.721 -2.379 3.595
400 1HE2 GLN 13 1HE2 GLN 13 -15.301 -1.598 5.940
401 2HE2 GLN 13 2HE2 GLN 13 -13.885 -2.716 6.023
402 H ILE 14 H ILE 14 -16.140 -1.390 -0.800
403 HA ILE 14 HA ILE 14 -14.774 1.025 -1.787
404 HB ILE 14 HB ILE 14 -16.088 -1.269 -2.999
405 1HG1 ILE 14 1HG1 ILE 14 -13.106 -1.037 -3.233
406 2HG1 ILE 14 2HG1 ILE 14 -13.699 -1.297 -1.570
407 1HG2 ILE 14 1HG2 ILE 14 -16.123 0.272 -4.795
408 2HG2 ILE 14 2HG2 ILE 14 -14.374 0.680 -4.515
409 3HG2 ILE 14 3HG2 ILE 14 -14.868 -0.950 -5.017
410 1HD1 ILE 14 1HD1 ILE 14 -13.136 -3.447 -2.651
411 2HD1 ILE 14 2HD1 ILE 14 -14.889 -3.420 -2.723
412 3HD1 ILE 14 3HD1 ILE 14 -13.940 -2.858 -4.191
413 H ALA 15 H ALA 15 -18.125 0.075 -1.622
414 HA ALA 15 HA ALA 15 -19.006 2.261 -3.175
415 1HB ALA 15 1HB ALA 15 -21.206 2.109 -2.118
416 2HB ALA 15 2HB ALA 15 -20.612 0.364 -2.132
417 3HB ALA 15 3HB ALA 15 -20.619 1.388 -0.681
418 H GLU 16 H GLU 16 -18.647 2.200 0.297
419 HA GLU 16 HA GLU 16 -19.232 4.980 0.881
420 1HB GLU 16 1HB GLU 16 -17.574 2.761 1.998
421 2HB GLU 16 2HB GLU 16 -17.320 4.345 2.666
422 1HG GLU 16 1HG GLU 16 -19.191 2.241 3.399
423 2HG GLU 16 2HG GLU 16 -18.465 3.399 4.338
424 H LEU 17 H LEU 17 -16.162 3.238 0.151
425 HA LEU 17 HA LEU 17 -14.470 5.418 0.492
426 1HB LEU 17 1HB LEU 17 -14.333 2.861 -1.191
427 2HB LEU 17 2HB LEU 17 -13.181 4.069 -1.282
428 HG LEU 17 HG LEU 17 -13.928 3.089 1.452
429 1HD1 LEU 17 1HD1 LEU 17 -11.520 1.816 0.029
430 2HD1 LEU 17 2HD1 LEU 17 -13.046 0.940 0.350
431 3HD1 LEU 17 3HD1 LEU 17 -12.244 1.634 1.741
432 1HD2 LEU 17 1HD2 LEU 17 -11.578 3.556 2.077
433 2HD2 LEU 17 2HD2 LEU 17 -12.506 4.992 1.552
434 3HD2 LEU 17 3HD2 LEU 17 -11.389 4.229 0.413
435 H GLU 18 H GLU 18 -15.929 4.112 -2.698
436 HA GLU 18 HA GLU 18 -15.139 6.269 -4.340
437 1HB GLU 18 1HB GLU 18 -17.395 4.279 -4.262
438 2HB GLU 18 2HB GLU 18 -17.363 5.521 -5.481
439 1HG GLU 18 1HG GLU 18 -14.992 4.816 -6.248
440 2HG GLU 18 2HG GLU 18 -15.213 3.374 -5.258
441 H GLN 19 H GLN 19 -18.223 6.103 -2.501
442 HA GLN 19 HA GLN 19 -19.241 8.636 -3.450
443 1HB GLN 19 1HB GLN 19 -19.669 6.646 -1.202
444 2HB GLN 19 2HB GLN 19 -20.300 8.302 -0.919
445 1HG GLN 19 1HG GLN 19 -22.229 7.213 -1.971
446 2HG GLN 19 2HG GLN 19 -21.482 8.108 -3.236
447 1HE2 GLN 19 1HE2 GLN 19 -20.210 6.505 -4.941
448 2HE2 GLN 19 2HE2 GLN 19 -20.943 4.903 -4.867
449 H HIS 20 H HIS 20 -17.150 7.891 -0.683
450 HA HIS 20 HA HIS 20 -17.460 10.748 -0.068
451 1HB HIS 20 1HB HIS 20 -15.973 8.585 1.422
452 2HB HIS 20 2HB HIS 20 -15.952 10.367 1.787
453 HD1 HIS 20 HD1 HIS 20 -18.589 11.401 2.282
454 HD2 HIS 20 HD2 HIS 20 -17.925 7.238 2.494
455 HE1 HIS 20 HE1 HIS 20 -20.606 10.479 3.492
456 H PHE 21 H PHE 21 -15.052 8.644 -1.558
457 HA PHE 21 HA PHE 21 -13.216 10.707 -2.302
458 1HB PHE 21 1HB PHE 21 -12.320 8.837 -2.944
459 2HB PHE 21 2HB PHE 21 -13.761 7.966 -3.420
460 HD1 PHE 21 HD1 PHE 21 -14.863 8.732 -5.619
461 HD2 PHE 21 HD2 PHE 21 -10.813 9.770 -4.524
462 HE1 PHE 21 HE1 PHE 21 -14.268 8.898 -7.962
463 HE2 PHE 21 HE2 PHE 21 -10.125 9.806 -6.880
464 HZ PHE 21 HZ PHE 21 -12.014 9.306 -8.706
465 H LEU 22 H LEU 22 -16.496 10.167 -3.612
466 HA LEU 22 HA LEU 22 -16.315 11.822 -5.958
467 1HB LEU 22 1HB LEU 22 -18.701 11.127 -4.286
468 2HB LEU 22 2HB LEU 22 -18.774 11.977 -5.834
469 HG LEU 22 HG LEU 22 -17.547 9.285 -5.442
470 1HD1 LEU 22 1HD1 LEU 22 -20.118 9.200 -5.354
471 2HD1 LEU 22 2HD1 LEU 22 -19.395 8.316 -6.664
472 3HD1 LEU 22 3HD1 LEU 22 -20.095 9.944 -6.917
473 1HD2 LEU 22 1HD2 LEU 22 -17.905 10.567 -8.227
474 2HD2 LEU 22 2HD2 LEU 22 -17.402 8.988 -7.928
475 3HD2 LEU 22 3HD2 LEU 22 -16.421 10.458 -7.404
476 H GLN 23 H GLN 23 -16.750 12.532 -2.787
477 HA GLN 23 HA GLN 23 -17.366 15.418 -2.952
478 1HB GLN 23 1HB GLN 23 -16.617 14.281 -0.279
479 2HB GLN 23 2HB GLN 23 -17.519 15.548 -0.575
480 1HG GLN 23 1HG GLN 23 -18.248 12.644 -0.613
481 2HG GLN 23 2HG GLN 23 -19.087 13.927 0.121
482 1HE2 GLN 23 1HE2 GLN 23 -19.607 11.691 -2.351
483 2HE2 GLN 23 2HE2 GLN 23 -20.697 12.703 -3.253
484 H GLY 24 H GLY 24 -14.512 13.343 -2.662
485 1HA GLY 24 1HA GLY 24 -12.917 15.554 -3.375
486 2HA GLY 24 2HA GLY 24 -12.654 15.046 -1.581
487 H ARG 25 H ARG 25 -11.173 14.937 -4.468
488 HA ARG 25 HA ARG 25 -10.714 12.160 -5.112
489 1HB ARG 25 1HB ARG 25 -9.258 14.668 -6.199
490 2HB ARG 25 2HB ARG 25 -9.300 13.111 -6.913
491 1HG ARG 25 1HG ARG 25 -11.664 14.860 -6.794
492 2HG ARG 25 2HG ARG 25 -10.826 14.487 -8.210
493 1HD ARG 25 1HD ARG 25 -11.522 12.012 -7.719
494 2HD ARG 25 2HD ARG 25 -12.441 12.706 -6.408
495 HE ARG 25 HE ARG 25 -13.011 12.853 -9.289
496 1HH1 ARG 25 2HH1 ARG 25 -14.199 13.440 -6.142
497 2HH1 ARG 25 1HH1 ARG 25 -15.479 14.564 -6.572
498 1HH2 ARG 25 2HH2 ARG 25 -15.010 14.310 -9.868
499 2HH2 ARG 25 1HH2 ARG 25 -16.184 14.200 -8.584
500 H TYR 26 H TYR 26 -9.237 14.399 -3.062
501 HA TYR 26 HA TYR 26 -6.807 12.656 -2.570
502 1HB TYR 26 1HB TYR 26 -6.886 15.698 -1.953
503 2HB TYR 26 2HB TYR 26 -5.563 14.729 -1.857
504 HD1 TYR 26 HD1 TYR 26 -7.912 16.720 -3.889
505 HD2 TYR 26 HD2 TYR 26 -4.541 14.194 -4.195
506 HE1 TYR 26 HE1 TYR 26 -7.687 17.290 -6.335
507 HE2 TYR 26 HE2 TYR 26 -4.186 14.799 -6.515
508 HH TYR 26 HH TYR 26 -6.402 16.917 -8.332
509 H LEU 27 H LEU 27 -6.124 12.192 -0.574
510 HA LEU 27 HA LEU 27 -8.171 12.660 1.454
511 1HB LEU 27 1HB LEU 27 -5.822 10.873 1.569
512 2HB LEU 27 2HB LEU 27 -6.746 11.242 2.931
513 HG LEU 27 HG LEU 27 -7.834 9.571 0.632
514 1HD1 LEU 27 1HD1 LEU 27 -6.510 8.599 2.689
515 2HD1 LEU 27 2HD1 LEU 27 -7.955 7.903 1.957
516 3HD1 LEU 27 3HD1 LEU 27 -8.157 8.919 3.482
517 1HD2 LEU 27 1HD2 LEU 27 -9.361 10.890 2.771
518 2HD2 LEU 27 2HD2 LEU 27 -9.928 9.514 1.802
519 3HD2 LEU 27 3HD2 LEU 27 -9.588 10.975 0.964
520 H THR 28 H THR 28 -7.720 13.299 3.337
521 HA THR 28 HA THR 28 -5.144 14.624 4.055
522 HB THR 28 HB THR 28 -6.438 16.552 5.128
523 HG1 THR 28 HG1 THR 28 -8.578 16.765 4.494
524 1HG2 THR 28 1HG2 THR 28 -7.053 16.293 2.121
525 2HG2 THR 28 2HG2 THR 28 -5.537 16.809 2.731
526 3HG2 THR 28 3HG2 THR 28 -7.108 17.662 3.047
527 H ALA 29 H ALA 29 -5.098 14.536 6.337
528 HA ALA 29 HA ALA 29 -5.792 12.231 7.579
529 1HB ALA 29 1HB ALA 29 -5.072 13.646 9.785
530 2HB ALA 29 2HB ALA 29 -4.044 13.793 8.305
531 3HB ALA 29 3HB ALA 29 -5.194 15.058 8.682
532 HA PRO 30 HA PRO 30 -9.934 14.114 9.452
533 1HB PRO 30 1HB PRO 30 -10.866 15.965 7.507
534 2HB PRO 30 2HB PRO 30 -10.519 16.250 9.210
535 1HG PRO 30 1HG PRO 30 -8.951 16.816 6.771
536 2HG PRO 30 2HG PRO 30 -8.855 17.705 8.270
537 1HD PRO 30 1HD PRO 30 -6.911 16.066 7.530
538 2HD PRO 30 2HD PRO 30 -7.357 16.042 9.236
539 H ARG 31 H ARG 31 -9.387 14.054 5.784
540 HA ARG 31 HA ARG 31 -12.089 13.166 5.309
541 1HB ARG 31 1HB ARG 31 -9.463 13.287 3.581
542 2HB ARG 31 2HB ARG 31 -10.727 12.232 3.099
543 1HG ARG 31 1HG ARG 31 -10.441 14.534 2.089
544 2HG ARG 31 2HG ARG 31 -11.923 13.791 2.339
545 1HD ARG 31 1HD ARG 31 -12.328 15.163 4.473
546 2HD ARG 31 2HD ARG 31 -10.803 16.031 4.082
547 HE ARG 31 HE ARG 31 -13.285 16.188 2.529
548 1HH1 ARG 31 2HH1 ARG 31 -10.346 17.813 3.323
549 2HH1 ARG 31 1HH1 ARG 31 -10.558 19.036 2.096
550 1HH2 ARG 31 2HH2 ARG 31 -13.683 17.920 1.244
551 2HH2 ARG 31 1HH2 ARG 31 -12.751 19.324 1.352
552 H LEU 32 H LEU 32 -8.907 11.656 5.364
553 HA LEU 32 HA LEU 32 -9.577 8.965 5.235
554 1HB LEU 32 1HB LEU 32 -7.417 10.332 5.118
555 2HB LEU 32 2HB LEU 32 -7.379 10.430 6.891
556 HG LEU 32 HG LEU 32 -6.684 8.143 5.008
557 1HD1 LEU 32 1HD1 LEU 32 -5.636 8.951 7.776
558 2HD1 LEU 32 2HD1 LEU 32 -4.870 9.484 6.350
559 3HD1 LEU 32 3HD1 LEU 32 -4.796 7.823 6.612
560 1HD2 LEU 32 1HD2 LEU 32 -7.942 7.594 7.678
561 2HD2 LEU 32 2HD2 LEU 32 -7.186 6.368 6.709
562 3HD2 LEU 32 3HD2 LEU 32 -8.551 7.268 5.971
563 H ALA 33 H ALA 33 -9.412 11.043 8.193
564 HA ALA 33 HA ALA 33 -9.941 9.026 10.054
565 1HB ALA 33 1HB ALA 33 -10.429 10.865 11.699
566 2HB ALA 33 2HB ALA 33 -9.163 11.422 10.588
567 3HB ALA 33 3HB ALA 33 -10.730 11.907 10.398
568 H ASP 34 H ASP 34 -12.375 11.339 8.427
569 HA ASP 34 HA ASP 34 -14.753 10.183 9.546
570 1HB ASP 34 1HB ASP 34 -14.446 12.419 8.310
571 2HB ASP 34 2HB ASP 34 -14.700 11.563 6.842
572 H LEU 35 H LEU 35 -13.402 9.454 6.203
573 HA LEU 35 HA LEU 35 -15.090 7.366 5.771
574 1HB LEU 35 1HB LEU 35 -13.130 8.557 4.467
575 2HB LEU 35 2HB LEU 35 -12.304 7.062 4.556
576 HG LEU 35 HG LEU 35 -13.614 6.020 3.063
577 1HD1 LEU 35 1HD1 LEU 35 -15.870 6.728 2.392
578 2HD1 LEU 35 2HD1 LEU 35 -15.904 7.903 3.680
579 3HD1 LEU 35 3HD1 LEU 35 -15.801 6.172 4.046
580 1HD2 LEU 35 1HD2 LEU 35 -14.111 7.745 1.117
581 2HD2 LEU 35 2HD2 LEU 35 -12.580 7.955 1.931
582 3HD2 LEU 35 3HD2 LEU 35 -13.913 8.958 2.355
583 H SER 36 H SER 36 -11.880 7.064 7.408
584 HA SER 36 HA SER 36 -11.738 4.369 7.617
585 1HB SER 36 1HB SER 36 -9.833 5.678 8.159
586 2HB SER 36 2HB SER 36 -10.720 6.663 9.280
587 HG SER 36 HG SER 36 -10.116 3.881 9.850
588 H ALA 37 H ALA 37 -13.451 6.671 9.873
589 HA ALA 37 HA ALA 37 -14.572 4.638 11.448
590 1HB ALA 37 1HB ALA 37 -15.618 6.517 12.445
591 2HB ALA 37 2HB ALA 37 -14.280 7.336 11.721
592 3HB ALA 37 3HB ALA 37 -15.813 7.402 10.952
593 H LYS 38 H LYS 38 -15.944 6.229 8.545
594 HA LYS 38 HA LYS 38 -18.338 4.734 8.952
595 1HB LYS 38 1HB LYS 38 -17.223 6.098 6.491
596 2HB LYS 38 2HB LYS 38 -18.748 5.332 6.516
597 1HG LYS 38 1HG LYS 38 -19.437 6.943 8.470
598 2HG LYS 38 2HG LYS 38 -17.953 7.813 8.122
599 1HD LYS 38 1HD LYS 38 -19.541 8.880 6.838
600 2HD LYS 38 2HD LYS 38 -18.791 7.754 5.702
601 1HE LYS 38 1HE LYS 38 -20.570 6.124 6.543
602 2HE LYS 38 2HE LYS 38 -21.499 7.469 7.117
603 1HZ LYS 38 1HZ LYS 38 -21.693 8.209 4.769
604 2HZ LYS 38 2HZ LYS 38 -22.043 6.677 5.038
605 3HZ LYS 38 3HZ LYS 38 -20.608 6.973 4.338
606 H LEU 39 H LEU 39 -15.760 4.032 6.525
607 HA LEU 39 HA LEU 39 -16.806 1.567 5.678
608 1HB LEU 39 1HB LEU 39 -14.016 2.526 6.167
609 2HB LEU 39 2HB LEU 39 -14.466 1.143 5.158
610 HG LEU 39 HG LEU 39 -15.517 3.912 4.566
611 1HD1 LEU 39 1HD1 LEU 39 -12.928 2.491 3.940
612 2HD1 LEU 39 2HD1 LEU 39 -13.080 3.992 4.865
613 3HD1 LEU 39 3HD1 LEU 39 -13.548 4.048 3.144
614 1HD2 LEU 39 1HD2 LEU 39 -15.608 3.049 2.420
615 2HD2 LEU 39 2HD2 LEU 39 -16.493 1.953 3.507
616 3HD2 LEU 39 3HD2 LEU 39 -14.862 1.447 2.905
617 H ALA 40 H ALA 40 -15.182 2.572 8.840
618 HA ALA 40 HA ALA 40 -14.308 1.485 10.541
619 1HB ALA 40 1HB ALA 40 -15.234 -0.729 11.220
620 2HB ALA 40 2HB ALA 40 -16.438 0.525 11.023
621 3HB ALA 40 3HB ALA 40 -16.242 -0.782 9.752
622 H LEU 41 H LEU 41 -12.338 1.844 9.117
623 HA LEU 41 HA LEU 41 -10.924 -0.784 8.775
624 1HB LEU 41 1HB LEU 41 -11.192 1.259 6.585
625 2HB LEU 41 2HB LEU 41 -9.900 0.036 6.882
626 HG LEU 41 HG LEU 41 -12.836 -0.576 6.321
627 1HD1 LEU 41 1HD1 LEU 41 -11.976 -1.186 4.133
628 2HD1 LEU 41 2HD1 LEU 41 -10.292 -1.120 4.555
629 3HD1 LEU 41 3HD1 LEU 41 -11.306 0.354 4.403
630 1HD2 LEU 41 1HD2 LEU 41 -11.891 -2.477 7.616
631 2HD2 LEU 41 2HD2 LEU 41 -10.488 -2.461 6.489
632 3HD2 LEU 41 3HD2 LEU 41 -12.142 -2.925 5.957
633 H GLY 42 H GLY 42 -8.757 -0.577 9.026
634 1HA GLY 42 1HA GLY 42 -7.632 1.362 10.662
635 2HA GLY 42 2HA GLY 42 -6.736 0.302 9.535
636 H THR 43 H THR 43 -6.283 3.311 10.069
637 HA THR 43 HA THR 43 -7.332 4.616 8.064
638 HB THR 43 HB THR 43 -5.403 6.371 8.261
639 HG1 THR 43 HG1 THR 43 -4.135 5.973 9.994
640 1HG2 THR 43 1HG2 THR 43 -5.995 7.069 10.485
641 2HG2 THR 43 2HG2 THR 43 -6.706 5.432 10.824
642 3HG2 THR 43 3HG2 THR 43 -7.424 6.413 9.593
643 H ALA 44 H ALA 44 -4.497 2.720 7.761
644 HA ALA 44 HA ALA 44 -3.262 3.804 5.480
645 1HB ALA 44 1HB ALA 44 -2.323 1.397 5.336
646 2HB ALA 44 2HB ALA 44 -2.005 2.200 6.880
647 3HB ALA 44 3HB ALA 44 -3.383 1.072 6.620
648 H GLN 45 H GLN 45 -5.716 1.318 5.918
649 HA GLN 45 HA GLN 45 -6.056 0.642 3.158
650 1HB GLN 45 1HB GLN 45 -8.024 0.611 5.498
651 2HB GLN 45 2HB GLN 45 -8.486 0.118 3.840
652 1HG GLN 45 1HG GLN 45 -7.911 -1.791 5.424
653 2HG GLN 45 2HG GLN 45 -6.913 -1.809 3.966
654 1HE2 GLN 45 1HE2 GLN 45 -7.210 -1.653 7.599
655 2HE2 GLN 45 2HE2 GLN 45 -5.549 -1.525 7.881
656 H VAL 46 H VAL 46 -7.464 3.683 4.686
657 HA VAL 46 HA VAL 46 -9.062 3.887 2.368
658 HB VAL 46 HB VAL 46 -8.275 6.236 4.254
659 1HG1 VAL 46 1HG1 VAL 46 -9.727 6.557 2.041
660 2HG1 VAL 46 2HG1 VAL 46 -10.955 5.736 3.032
661 3HG1 VAL 46 3HG1 VAL 46 -10.310 7.255 3.565
662 1HG2 VAL 46 1HG2 VAL 46 -10.504 5.492 5.413
663 2HG2 VAL 46 2HG2 VAL 46 -10.262 3.935 4.702
664 3HG2 VAL 46 3HG2 VAL 46 -9.034 4.510 5.821
665 H LYS 47 H LYS 47 -6.081 5.624 3.414
666 HA LYS 47 HA LYS 47 -5.493 6.969 1.018
667 1HB LYS 47 1HB LYS 47 -3.515 5.524 2.916
668 2HB LYS 47 2HB LYS 47 -3.073 6.847 1.753
669 1HG LYS 47 1HG LYS 47 -4.434 8.390 2.779
670 2HG LYS 47 2HG LYS 47 -4.971 7.097 4.059
671 1HD LYS 47 1HD LYS 47 -2.196 8.235 3.540
672 2HD LYS 47 2HD LYS 47 -3.460 8.912 4.639
673 1HE LYS 47 1HE LYS 47 -3.338 6.727 5.936
674 2HE LYS 47 2HE LYS 47 -2.316 6.047 4.784
675 1HZ LYS 47 1HZ LYS 47 -1.411 7.320 6.974
676 2HZ LYS 47 2HZ LYS 47 -1.526 8.645 6.099
677 3HZ LYS 47 3HZ LYS 47 -0.577 7.576 5.494
678 H ILE 48 H ILE 48 -4.465 3.566 1.897
679 HA ILE 48 HA ILE 48 -3.281 3.274 -0.724
680 HB ILE 48 HB ILE 48 -4.228 1.267 1.345
681 1HG1 ILE 48 1HG1 ILE 48 -2.132 2.831 1.626
682 2HG1 ILE 48 2HG1 ILE 48 -1.873 1.114 2.029
683 1HG2 ILE 48 1HG2 ILE 48 -2.622 0.217 -1.020
684 2HG2 ILE 48 2HG2 ILE 48 -3.316 -0.602 0.356
685 3HG2 ILE 48 3HG2 ILE 48 -4.395 0.211 -0.724
686 1HD1 ILE 48 1HD1 ILE 48 -0.739 0.766 -0.149
687 2HD1 ILE 48 2HD1 ILE 48 -1.356 2.340 -0.648
688 3HD1 ILE 48 3HD1 ILE 48 -0.098 2.332 0.543
689 H TRP 49 H TRP 49 -6.536 2.673 0.233
690 HA TRP 49 HA TRP 49 -7.362 1.679 -2.363
691 1HB TRP 49 1HB TRP 49 -8.951 1.661 -0.393
692 2HB TRP 49 2HB TRP 49 -8.903 3.407 -0.439
693 HD1 TRP 49 HD1 TRP 49 -9.236 0.588 -3.032
694 HE1 TRP 49 HE1 TRP 49 -11.345 0.989 -4.564
695 HE3 TRP 49 HE3 TRP 49 -10.163 5.176 -1.571
696 HZ2 TRP 49 HZ2 TRP 49 -12.838 3.337 -5.276
697 HZ3 TRP 49 HZ3 TRP 49 -11.694 6.675 -2.797
698 HH2 TRP 49 HH2 TRP 49 -13.108 5.733 -4.697
699 H PHE 50 H PHE 50 -7.268 5.133 -1.258
700 HA PHE 50 HA PHE 50 -7.889 6.210 -3.764
701 1HB PHE 50 1HB PHE 50 -6.468 7.158 -1.272
702 2HB PHE 50 2HB PHE 50 -6.176 8.002 -2.709
703 HD1 PHE 50 HD1 PHE 50 -7.651 9.920 -3.096
704 HD2 PHE 50 HD2 PHE 50 -9.018 6.688 -0.630
705 HE1 PHE 50 HE1 PHE 50 -9.558 11.318 -2.378
706 HE2 PHE 50 HE2 PHE 50 -11.100 8.079 -0.079
707 HZ PHE 50 HZ PHE 50 -11.213 10.430 -0.802
708 H LYS 51 H LYS 51 -4.723 5.453 -2.580
709 HA LYS 51 HA LYS 51 -2.989 6.313 -4.755
710 1HB LYS 51 1HB LYS 51 -2.498 4.220 -2.717
711 2HB LYS 51 2HB LYS 51 -1.313 4.816 -3.947
712 1HG LYS 51 1HG LYS 51 -1.065 6.826 -2.834
713 2HG LYS 51 2HG LYS 51 -2.692 6.756 -2.209
714 1HD LYS 51 1HD LYS 51 -0.909 6.566 -0.463
715 2HD LYS 51 2HD LYS 51 -2.020 5.218 -0.508
716 1HE LYS 51 1HE LYS 51 -0.261 3.754 -0.883
717 2HE LYS 51 2HE LYS 51 0.285 4.665 -2.296
718 1HZ LYS 51 1HZ LYS 51 0.885 5.460 0.375
719 2HZ LYS 51 2HZ LYS 51 1.675 5.956 -1.066
720 3HZ LYS 51 3HZ LYS 51 1.941 4.508 -0.495
721 H ASN 52 H ASN 52 -4.249 2.907 -3.871
722 HA ASN 52 HA ASN 52 -3.696 1.962 -6.423
723 1HB ASN 52 1HB ASN 52 -4.685 -0.013 -5.898
724 2HB ASN 52 2HB ASN 52 -4.068 0.626 -4.346
725 1HD2 ASN 52 1HD2 ASN 52 -5.497 -0.263 -3.002
726 2HD2 ASN 52 2HD2 ASN 52 -7.197 -0.687 -3.215
727 H ARG 53 H ARG 53 -6.828 3.603 -5.532
728 HA ARG 53 HA ARG 53 -8.173 2.949 -7.764
729 1HB ARG 53 1HB ARG 53 -9.071 3.956 -5.651
730 2HB ARG 53 2HB ARG 53 -8.469 5.533 -6.104
731 1HG ARG 53 1HG ARG 53 -10.438 3.905 -7.790
732 2HG ARG 53 2HG ARG 53 -10.799 5.045 -6.630
733 1HD ARG 53 1HD ARG 53 -9.750 6.938 -8.091
734 2HD ARG 53 2HD ARG 53 -9.318 5.736 -9.279
735 HE ARG 53 HE ARG 53 -12.056 5.568 -8.733
736 1HH1 ARG 53 2HH1 ARG 53 -9.886 7.548 -10.397
737 2HH1 ARG 53 1HH1 ARG 53 -11.201 8.124 -11.527
738 1HH2 ARG 53 2HH2 ARG 53 -13.628 6.335 -10.278
739 2HH2 ARG 53 1HH2 ARG 53 -13.020 7.494 -11.355
740 H ARG 54 H ARG 54 -6.124 5.719 -7.131
741 HA ARG 54 HA ARG 54 -6.357 7.184 -9.660
742 1HB ARG 54 1HB ARG 54 -4.378 6.962 -7.472
743 2HB ARG 54 2HB ARG 54 -3.803 7.768 -8.915
744 1HG ARG 54 1HG ARG 54 -4.472 9.374 -7.453
745 2HG ARG 54 2HG ARG 54 -5.656 9.346 -8.783
746 1HD ARG 54 1HD ARG 54 -7.438 8.942 -7.406
747 2HD ARG 54 2HD ARG 54 -6.507 7.894 -6.279
748 HE ARG 54 HE ARG 54 -7.101 10.638 -6.029
749 1HH1 ARG 54 2HH1 ARG 54 -4.981 8.200 -5.111
750 2HH1 ARG 54 1HH1 ARG 54 -4.118 9.276 -3.908
751 1HH2 ARG 54 2HH2 ARG 54 -6.009 11.956 -4.521
752 2HH2 ARG 54 1HH2 ARG 54 -4.876 11.153 -3.442
753 H ARG 55 H ARG 55 -3.878 4.851 -8.550
754 HA ARG 55 HA ARG 55 -2.383 4.422 -10.921
755 1HB ARG 55 1HB ARG 55 -3.029 2.563 -8.594
756 2HB ARG 55 2HB ARG 55 -1.981 2.142 -9.952
757 1HG ARG 55 1HG ARG 55 -1.383 4.196 -7.806
758 2HG ARG 55 2HG ARG 55 -0.691 2.625 -8.175
759 1HD ARG 55 1HD ARG 55 -0.768 5.226 -9.820
760 2HD ARG 55 2HD ARG 55 0.603 4.891 -8.872
761 HE ARG 55 HE ARG 55 0.318 3.843 -11.503
762 1HH1 ARG 55 2HH1 ARG 55 1.642 2.776 -8.340
763 2HH1 ARG 55 1HH1 ARG 55 3.066 2.257 -9.157
764 1HH2 ARG 55 2HH2 ARG 55 2.086 3.155 -12.246
765 2HH2 ARG 55 1HH2 ARG 55 3.221 2.192 -11.350
766 H ARG 56 H ARG 56 -5.143 2.356 -9.752
767 HA ARG 56 HA ARG 56 -5.324 0.870 -12.151
768 1HB ARG 56 1HB ARG 56 -6.359 0.470 -9.920
769 2HB ARG 56 2HB ARG 56 -7.736 1.623 -10.424
770 1HG ARG 56 1HG ARG 56 -8.186 0.062 -12.402
771 2HG ARG 56 2HG ARG 56 -6.895 -1.014 -11.623
772 1HD ARG 56 1HD ARG 56 -9.629 -0.225 -10.463
773 2HD ARG 56 2HD ARG 56 -9.208 -1.682 -11.289
774 HE ARG 56 HE ARG 56 -7.929 -2.442 -9.585
775 1HH1 ARG 56 2HH1 ARG 56 -8.987 0.818 -8.742
776 2HH1 ARG 56 1HH1 ARG 56 -8.435 0.691 -7.126
777 1HH2 ARG 56 2HH2 ARG 56 -7.530 -2.592 -7.368
778 2HH2 ARG 56 1HH2 ARG 56 -7.535 -1.148 -6.376
779 H HIS 57 H HIS 57 -6.658 4.040 -11.520
780 HA HIS 57 HA HIS 57 -8.451 4.367 -13.831
781 1HB HIS 57 1HB HIS 57 -8.667 5.687 -11.667
782 2HB HIS 57 2HB HIS 57 -7.172 6.520 -12.204
783 HD1 HIS 57 HD1 HIS 57 -7.701 8.401 -13.984
784 HD2 HIS 57 HD2 HIS 57 -10.607 5.438 -13.648
785 HE1 HIS 57 HE1 HIS 57 -9.652 8.937 -15.695
786 H LYS 58 H LYS 58 -5.189 5.654 -13.119
787 HA LYS 58 HA LYS 58 -4.958 6.621 -15.842
788 1HB LYS 58 1HB LYS 58 -2.541 7.218 -15.360
789 2HB LYS 58 2HB LYS 58 -3.701 7.820 -14.014
790 1HG LYS 58 1HG LYS 58 -2.995 5.556 -12.896
791 2HG LYS 58 2HG LYS 58 -1.969 5.369 -14.345
792 1HD LYS 58 1HD LYS 58 -0.616 6.268 -12.475
793 2HD LYS 58 2HD LYS 58 -0.991 7.635 -13.615
794 1HE LYS 58 1HE LYS 58 -3.096 7.890 -12.062
795 2HE LYS 58 2HE LYS 58 -2.161 7.002 -10.865
796 1HZ LYS 58 1HZ LYS 58 -1.511 9.223 -10.431
797 2HZ LYS 58 2HZ LYS 58 -1.661 9.593 -12.004
798 3HZ LYS 58 3HZ LYS 58 -0.327 8.777 -11.478
799 H ILE 59 H ILE 59 -3.839 3.812 -14.324
800 HA ILE 59 HA ILE 59 -2.352 2.588 -16.518
801 HB ILE 59 HB ILE 59 -3.709 1.460 -14.131
802 1HG1 ILE 59 1HG1 ILE 59 -0.775 2.077 -14.488
803 2HG1 ILE 59 2HG1 ILE 59 -1.857 2.888 -13.529
804 1HG2 ILE 59 1HG2 ILE 59 -1.780 -0.157 -15.730
805 2HG2 ILE 59 2HG2 ILE 59 -2.774 -0.567 -14.311
806 3HG2 ILE 59 3HG2 ILE 59 -3.587 -0.359 -15.869
807 1HD1 ILE 59 1HD1 ILE 59 -0.749 0.121 -13.055
808 2HD1 ILE 59 2HD1 ILE 59 -0.416 1.566 -12.240
809 3HD1 ILE 59 3HD1 ILE 59 -2.010 0.867 -11.978
810 H GLN 60 H GLN 60 -5.816 2.023 -15.469
811 HA GLN 60 HA GLN 60 -6.367 0.525 -17.753
812 1HB GLN 60 1HB GLN 60 -8.315 1.975 -16.012
813 2HB GLN 60 2HB GLN 60 -8.828 0.997 -17.342
814 1HG GLN 60 1HG GLN 60 -7.406 0.038 -14.799
815 2HG GLN 60 2HG GLN 60 -9.044 -0.462 -15.292
816 1HE2 GLN 60 1HE2 GLN 60 -6.541 -1.766 -14.612
817 2HE2 GLN 60 2HE2 GLN 60 -6.189 -2.839 -15.991
818 H SER 61 H SER 61 -6.715 4.117 -17.284
819 HA SER 61 HA SER 61 -7.579 4.828 -19.943
820 1HB SER 61 1HB SER 61 -5.614 6.156 -17.987
821 2HB SER 61 2HB SER 61 -6.153 6.981 -19.474
822 HG SER 61 HG SER 61 -7.238 7.194 -17.308
823 H ASP 62 H ASP 62 -4.185 3.841 -18.933
824 HA ASP 62 HA ASP 62 -3.296 4.363 -21.604
825 1HB ASP 62 1HB ASP 62 -1.663 3.990 -19.768
826 2HB ASP 62 2HB ASP 62 -2.019 2.269 -19.778
827 H GLN 63 H GLN 63 -5.132 1.537 -20.322
828 HA GLN 63 HA GLN 63 -4.368 -0.261 -22.335
829 1HB GLN 63 1HB GLN 63 -7.035 -0.284 -20.745
830 2HB GLN 63 2HB GLN 63 -6.302 -1.661 -21.472
831 1HG GLN 63 1HG GLN 63 -5.311 -0.257 -19.182
832 2HG GLN 63 2HG GLN 63 -5.680 -2.071 -19.325
833 1HE2 GLN 63 1HE2 GLN 63 -3.090 0.249 -18.939
834 2HE2 GLN 63 2HE2 GLN 63 -1.966 -0.767 -19.923
835 H HIS 64 H HIS 64 -7.027 2.029 -22.093
836 HA HIS 64 HA HIS 64 -8.681 1.569 -24.175
837 1HB HIS 64 1HB HIS 64 -7.365 4.246 -23.575
838 2HB HIS 64 2HB HIS 64 -8.772 4.205 -24.412
839 HD1 HIS 64 HD1 HIS 64 -9.493 1.665 -21.883
840 HD2 HIS 64 HD2 HIS 64 -9.567 5.845 -22.121
841 HE1 HIS 64 HE1 HIS 64 -10.538 2.459 -19.787
842 H LYS 65 H LYS 65 -5.260 1.945 -25.091
843 HA LYS 65 HA LYS 65 -5.807 2.848 -27.653
844 1HB LYS 65 1HB LYS 65 -3.556 1.771 -28.049
845 2HB LYS 65 2HB LYS 65 -3.514 2.867 -26.652
846 1HG LYS 65 1HG LYS 65 -3.605 0.997 -25.127
847 2HG LYS 65 2HG LYS 65 -3.781 -0.168 -26.431
848 1HD LYS 65 1HD LYS 65 -1.642 -0.522 -26.188
849 2HD LYS 65 2HD LYS 65 -1.693 0.685 -27.508
850 1HE LYS 65 1HE LYS 65 0.169 1.130 -25.770
851 2HE LYS 65 2HE LYS 65 -0.998 2.476 -25.742
852 1HZ LYS 65 1HZ LYS 65 -0.784 2.025 -23.650
853 2HZ LYS 65 2HZ LYS 65 -0.845 0.415 -23.843
854 3HZ LYS 65 3HZ LYS 65 -2.203 1.375 -24.137
855 H ASP 66 H ASP 66 -7.021 -0.099 -26.675
856 HA ASP 66 HA ASP 66 -7.217 -1.118 -29.410
857 1HB ASP 66 1HB ASP 66 -4.958 -1.905 -28.221
858 2HB ASP 66 2HB ASP 66 -5.958 -2.687 -27.170
859 H GLN 67 H GLN 67 -8.793 -2.739 -29.550
860 HA GLN 67 HA GLN 67 -10.465 -3.612 -27.374
861 1HB GLN 67 1HB GLN 67 -11.574 -1.666 -28.007
862 2HB GLN 67 2HB GLN 67 -11.715 -2.085 -29.686
863 1HG GLN 67 1HG GLN 67 -12.755 -4.346 -28.126
864 2HG GLN 67 2HG GLN 67 -13.476 -2.876 -27.607
865 1HE2 GLN 67 1HE2 GLN 67 -13.192 -5.056 -30.443
866 2HE2 GLN 67 2HE2 GLN 67 -14.258 -4.261 -31.487
867 H SER 68 H SER 68 -10.397 -5.744 -27.653
868 HA SER 68 HA SER 68 -9.852 -7.011 -30.150
869 1HB SER 68 1HB SER 68 -10.821 -8.191 -27.450
870 2HB SER 68 2HB SER 68 -10.543 -9.063 -28.969
871 HG SER 68 HG SER 68 -8.875 -7.147 -27.581
Start of MODEL 11
1 1H5* G 69 1H5* G 69 8.258 -23.085 -12.868
2 2H5* G 69 2H5* G 69 9.658 -22.047 -12.831
3 H4* G 69 H4* G 69 8.465 -21.519 -14.799
4 H3* G 69 H3* G 69 9.254 -19.535 -13.259
5 H1* G 69 H1* G 69 5.479 -19.454 -14.234
6 H8 G 69 H8 G 69 6.202 -20.867 -10.749
7 H1 G 69 H1 G 69 -0.031 -20.420 -12.332
8 1H2 G 69 1H2 G 69 1.137 -19.435 -15.147
9 2H2 G 69 2H2 G 69 -0.306 -19.591 -14.223
10 H5T G 69 H5T G 69 7.831 -22.478 -11.108
11 1H2* G 69 1H2* G 69 7.316 -19.469 -11.906
12 2H2* G 69 2H2* G 69 6.998 -18.187 -13.172
13 1H5* C 70 1H5* C 70 6.483 -18.814 -16.690
14 2H5* C 70 2H5* C 70 7.189 -17.584 -17.750
15 H4* C 70 H4* C 70 5.030 -17.624 -18.145
16 H3* C 70 H3* C 70 6.417 -15.340 -17.649
17 H1* C 70 H1* C 70 2.854 -15.977 -16.224
18 1H4 C 70 1H4 C 70 4.387 -16.857 -9.788
19 2H4 C 70 2H4 C 70 2.632 -16.646 -9.905
20 H5 C 70 H5 C 70 5.748 -16.803 -11.710
21 H6 C 70 H6 C 70 5.920 -16.498 -14.045
22 1H2* C 70 1H2* C 70 5.629 -14.968 -15.470
23 2H2* C 70 2H2* C 70 4.312 -14.169 -16.353
24 1H5* T 71 1H5* T 71 1.860 -15.012 -18.629
25 2H5* T 71 2H5* T 71 1.687 -13.633 -19.800
26 H4* T 71 H4* T 71 -0.136 -13.675 -18.228
27 H3* T 71 H3* T 71 1.686 -11.463 -18.466
28 1H2* T 71 1H2* T 71 2.132 -11.068 -16.163
29 2H2* T 71 2H2* T 71 0.370 -10.660 -16.097
30 H1* T 71 H1* T 71 -0.498 -12.619 -15.518
31 H3 T 71 H3 T 71 0.787 -13.835 -11.291
32 1H5M T 71 1H5M T 71 5.474 -14.058 -12.836
33 2H5M T 71 2H5M T 71 5.308 -12.893 -14.248
34 3H5M T 71 3H5M T 71 5.290 -12.438 -12.586
35 H6 T 71 H6 T 71 3.210 -12.767 -15.274
36 1H5* C 72 1H5* C 72 -2.714 -11.181 -16.834
37 2H5* C 72 2H5* C 72 -3.568 -9.636 -16.958
38 H4* C 72 H4* C 72 -3.735 -10.772 -14.937
39 H3* C 72 H3* C 72 -3.226 -7.975 -15.092
40 H1* C 72 H1* C 72 -2.273 -10.364 -12.473
41 1H4 C 72 1H4 C 72 4.237 -10.261 -10.973
42 2H4 C 72 2H4 C 72 3.234 -11.063 -9.876
43 H5 C 72 H5 C 72 3.012 -9.621 -13.170
44 H6 C 72 H6 C 72 0.883 -9.483 -14.291
45 1H2* C 72 1H2* C 72 -0.983 -8.155 -14.126
46 2H2* C 72 2H2* C 72 -1.989 -8.014 -12.646
47 1H5* T 73 1H5* T 73 -5.011 -9.189 -10.089
48 2H5* T 73 2H5* T 73 -5.853 -7.739 -10.346
49 H4* T 73 H4* T 73 -4.820 -7.975 -8.177
50 H3* T 73 H3* T 73 -5.064 -5.498 -9.436
51 1H2* T 73 1H2* T 73 -2.832 -5.626 -10.128
52 2H2* T 73 2H2* T 73 -2.599 -4.800 -8.605
53 H1* T 73 H1* T 73 -2.184 -6.799 -7.370
54 H3 T 73 H3 T 73 2.158 -8.226 -7.829
55 1H5M T 73 1H5M T 73 1.529 -6.847 -12.703
56 2H5M T 73 2H5M T 73 0.503 -5.607 -12.238
57 3H5M T 73 3H5M T 73 2.309 -5.617 -11.729
58 H6 T 73 H6 T 73 -0.990 -6.224 -10.808
59 1H5* A 74 1H5* A 74 -5.044 -6.526 -5.114
60 2H5* A 74 2H5* A 74 -6.152 -5.392 -4.342
61 H4* A 74 H4* A 74 -4.635 -6.448 -2.600
62 H3* A 74 H3* A 74 -5.220 -3.741 -2.682
63 H1* A 74 H1* A 74 -1.622 -4.887 -2.172
64 H8 A 74 H8 A 74 -2.328 -3.653 -5.737
65 1H6 A 74 1H6 A 74 3.551 -5.763 -6.896
66 2H6 A 74 2H6 A 74 2.144 -5.071 -7.697
67 H2 A 74 H2 A 74 2.702 -6.534 -2.789
68 1H2* A 74 1H2* A 74 -3.351 -3.139 -3.917
69 2H2* A 74 2H2* A 74 -2.943 -2.744 -2.231
70 1H5* A 75 1H5* A 75 -1.479 -5.662 0.166
71 2H5* A 75 2H5* A 75 -2.075 -5.081 1.685
72 H4* A 75 H4* A 75 0.239 -5.336 1.979
73 H3* A 75 H3* A 75 -1.052 -2.789 2.508
74 H1* A 75 H1* A 75 2.412 -3.061 0.455
75 H8 A 75 H8 A 75 -0.631 -1.725 -1.660
76 1H6 A 75 1H6 A 75 3.835 -2.546 -6.125
77 2H6 A 75 2H6 A 75 2.306 -1.710 -5.862
78 H2 A 75 H2 A 75 5.368 -3.812 -2.415
79 1H2* A 75 1H2* A 75 -0.309 -1.757 0.560
80 2H2* A 75 2H2* A 75 1.213 -1.427 1.588
81 1H5* T 76 1H5* T 76 3.458 -3.972 2.968
82 2H5* T 76 2H5* T 76 4.022 -3.474 4.521
83 H4* T 76 H4* T 76 5.915 -3.550 3.220
84 H3* T 76 H3* T 76 5.207 -1.220 4.609
85 1H2* T 76 1H2* T 76 4.831 0.241 2.847
86 2H2* T 76 2H2* T 76 6.676 0.097 2.622
87 H1* T 76 H1* T 76 6.763 -1.362 1.220
88 H3 T 76 H3 T 76 5.506 -0.060 -2.919
89 1H5M T 76 1H5M T 76 1.087 0.605 -1.065
90 2H5M T 76 2H5M T 76 1.441 1.124 0.605
91 3H5M T 76 3H5M T 76 1.908 2.128 -0.746
92 H6 T 76 H6 T 76 3.274 0.029 1.330
93 1H5* C 77 1H5* C 77 8.996 -0.935 2.482
94 2H5* C 77 2H5* C 77 10.172 -1.222 3.641
95 H4* C 77 H4* C 77 11.366 -0.096 2.097
96 H3* C 77 H3* C 77 11.186 1.737 4.085
97 H1* C 77 H1* C 77 10.446 2.674 0.599
98 1H4 C 77 1H4 C 77 3.943 3.164 -0.611
99 2H4 C 77 2H4 C 77 4.786 3.168 -2.126
100 H5 C 77 H5 C 77 5.016 2.503 1.376
101 H6 C 77 H6 C 77 7.283 2.433 2.507
102 1H2* C 77 1H2* C 77 9.227 2.535 3.347
103 2H2* C 77 2H2* C 77 10.156 3.879 2.689
104 1H5* C 78 1H5* C 78 12.595 2.752 -0.183
105 2H5* C 78 2H5* C 78 14.376 3.033 0.095
106 H4* C 78 H4* C 78 13.871 3.991 -2.052
107 H3* C 78 H3* C 78 14.947 5.387 0.120
108 H1* C 78 H1* C 78 11.952 6.786 -2.223
109 1H4 C 78 1H4 C 78 6.780 5.885 1.697
110 2H4 C 78 2H4 C 78 6.230 5.958 0.024
111 H5 C 78 H5 C 78 9.117 6.191 2.288
112 H6 C 78 H6 C 78 11.294 5.995 1.465
113 1H2* C 78 1H2* C 78 12.874 6.981 0.491
114 2H2* C 78 2H2* C 78 13.576 7.762 -0.834
115 1H5* C 79 1H5* C 79 14.488 7.246 -3.704
116 2H5* C 79 2H5* C 79 15.720 8.267 -4.315
117 H4* C 79 H4* C 79 13.675 9.074 -5.031
118 H3* C 79 H3* C 79 15.315 10.674 -3.391
119 H1* C 79 H1* C 79 11.715 10.917 -3.800
120 1H4 C 79 1H4 C 79 8.387 9.134 1.584
121 2H4 C 79 2H4 C 79 7.228 9.511 0.265
122 H5 C 79 H5 C 79 10.752 9.496 1.255
123 H6 C 79 H6 C 79 12.533 9.772 -0.467
124 1H2* C 79 1H2* C 79 13.883 10.826 -1.723
125 2H2* C 79 2H2* C 79 12.981 12.134 -2.598
126 1H5* C 80 1H5* C 80 11.593 12.053 -6.054
127 2H5* C 80 2H5* C 80 12.306 13.046 -7.239
128 H4* C 80 H4* C 80 10.175 13.811 -7.234
129 H3* C 80 H3* C 80 12.057 15.638 -6.689
130 H1* C 80 H1* C 80 8.913 15.225 -4.501
131 1H4 C 80 1H4 C 80 10.670 13.002 1.307
132 2H4 C 80 2H4 C 80 8.859 12.924 1.172
133 H5 C 80 H5 C 80 12.146 13.595 -0.545
134 H6 C 80 H6 C 80 12.091 14.245 -2.741
135 1H2* C 80 1H2* C 80 11.886 15.659 -4.240
136 2H2* C 80 2H2* C 80 10.635 16.769 -4.428
137 1H5* G 81 1H5* G 81 7.699 17.060 -5.849
138 2H5* G 81 2H5* G 81 7.357 18.354 -6.823
139 H4* G 81 H4* G 81 6.340 19.457 -5.064
140 H3* G 81 H3* G 81 8.845 20.598 -5.323
141 H1* G 81 H1* G 81 7.519 19.662 -2.015
142 H8 G 81 H8 G 81 10.699 17.893 -2.194
143 H1 G 81 H1 G 81 6.631 16.035 2.425
144 1H2 G 81 1H2 G 81 4.250 17.263 0.555
145 2H2 G 81 2H2 G 81 4.595 16.196 1.864
146 H3T G 81 H3T G 81 6.831 21.009 -3.473
147 1H2* G 81 1H2* G 81 9.878 19.074 -3.639
148 2H2* G 81 2H2* G 81 9.545 20.508 -2.739
149 1H5* C 82 1H5* C 82 1.920 14.896 8.851
150 2H5* C 82 2H5* C 82 1.318 13.199 9.062
151 H4* C 82 H4* C 82 0.333 14.563 7.128
152 H3* C 82 H3* C 82 0.948 11.646 6.934
153 H1* C 82 H1* C 82 1.985 14.497 4.261
154 1H4 C 82 1H4 C 82 8.620 13.849 4.927
155 2H4 C 82 2H4 C 82 8.228 15.005 3.641
156 H5 C 82 H5 C 82 6.867 12.519 6.033
157 H6 C 82 H6 C 82 4.401 12.354 6.296
158 H5T C 82 H5T C 82 3.734 14.035 7.873
159 1H2* C 82 1H2* C 82 2.564 11.766 5.198
160 2H2* C 82 2H2* C 82 1.185 12.425 4.140
161 1H5* G 83 1H5* G 83 -0.827 13.604 3.366
162 2H5* G 83 2H5* G 83 -2.466 13.091 3.103
163 H4* G 83 H4* G 83 -1.478 13.304 0.886
164 H3* G 83 H3* G 83 -1.925 10.606 1.560
165 H1* G 83 H1* G 83 1.056 12.081 -0.193
166 H8 G 83 H8 G 83 2.380 10.591 2.949
167 H1 G 83 H1 G 83 6.887 13.534 -0.627
168 1H2 G 83 1H2 G 83 4.103 14.018 -2.707
169 2H2 G 83 2H2 G 83 5.745 14.242 -2.413
170 1H2* G 83 1H2* G 83 0.342 10.216 2.134
171 2H2* G 83 2H2* G 83 0.374 9.929 0.303
172 1H5* G 84 1H5* G 84 -1.605 12.395 -2.527
173 2H5* G 84 2H5* G 84 -2.731 11.822 -3.803
174 H4* G 84 H4* G 84 -1.140 12.658 -4.973
175 H3* G 84 H3* G 84 -1.801 10.075 -5.543
176 H1* G 84 H1* G 84 1.822 11.123 -5.406
177 H8 G 84 H8 G 84 0.601 9.604 -2.110
178 H1 G 84 H1 G 84 7.013 10.247 -2.162
179 1H2 G 84 1H2 G 84 6.687 11.425 -5.243
180 2H2 G 84 2H2 G 84 7.668 10.984 -3.856
181 1H2* G 84 1H2* G 84 -0.095 9.068 -4.161
182 2H2* G 84 2H2* G 84 0.718 9.023 -5.679
183 1H5* G 85 1H5* G 85 2.053 10.355 -8.849
184 2H5* G 85 2H5* G 85 1.398 9.258 -10.058
185 H4* G 85 H4* G 85 3.501 8.430 -9.131
186 H3* G 85 H3* G 85 1.236 6.870 -9.353
187 H1* G 85 H1* G 85 3.927 6.713 -7.031
188 H8 G 85 H8 G 85 0.912 6.536 -4.647
189 H1 G 85 H1 G 85 6.727 6.620 -1.922
190 1H2 G 85 1H2 G 85 7.557 8.123 -4.818
191 2H2 G 85 2H2 G 85 8.163 7.305 -3.370
192 1H2* G 85 1H2* G 85 0.981 6.744 -7.015
193 2H2* G 85 2H2* G 85 2.038 5.251 -7.383
194 1H5* G 86 1H5* G 86 5.797 6.786 -9.192
195 2H5* G 86 2H5* G 86 5.998 7.914 -10.550
196 H4* G 86 H4* G 86 8.033 7.481 -10.534
197 H3* G 86 H3* G 86 7.286 5.608 -12.234
198 H1* G 86 H1* G 86 8.643 4.055 -8.770
199 H8 G 86 H8 G 86 4.890 4.431 -9.170
200 H1 G 86 H1 G 86 6.936 3.734 -3.179
201 1H2 G 86 1H2 G 86 9.984 4.306 -4.367
202 2H2 G 86 2H2 G 86 8.991 3.899 -3.060
203 1H2* G 86 1H2* G 86 6.437 4.067 -10.721
204 2H2* G 86 2H2* G 86 7.984 3.288 -10.887
205 1H5* A 87 1H5* A 87 10.850 4.181 -9.873
206 2H5* A 87 2H5* A 87 12.197 3.394 -10.645
207 H4* A 87 H4* A 87 11.751 2.141 -8.830
208 H3* A 87 H3* A 87 11.395 0.791 -11.295
209 H1* A 87 H1* A 87 9.865 0.406 -8.108
210 H8 A 87 H8 A 87 6.798 1.046 -10.131
211 1H6 A 87 1H6 A 87 3.830 0.293 -4.639
212 2H6 A 87 2H6 A 87 3.448 0.699 -6.333
213 H2 A 87 H2 A 87 7.960 0.228 -3.911
214 1H2* A 87 1H2* A 87 9.089 0.679 -10.950
215 2H2* A 87 2H2* A 87 9.510 -0.846 -10.135
216 1H5* T 88 1H5* T 88 13.113 -0.642 -7.236
217 2H5* T 88 2H5* T 88 14.138 -2.059 -7.377
218 H4* T 88 H4* T 88 13.062 -1.692 -5.097
219 H3* T 88 H3* T 88 13.488 -3.999 -6.263
220 1H2* T 88 1H2* T 88 11.222 -4.202 -7.307
221 2H2* T 88 2H2* T 88 10.858 -5.071 -5.825
222 H1* T 88 H1* T 88 10.388 -3.252 -4.639
223 H3 T 88 H3 T 88 5.839 -2.731 -5.101
224 1H5M T 88 1H5M T 88 6.961 -1.786 -9.769
225 2H5M T 88 2H5M T 88 8.188 -3.137 -9.947
226 3H5M T 88 3H5M T 88 6.484 -3.549 -9.615
227 H6 T 88 H6 T 88 9.569 -2.861 -8.235
228 1H5* T 89 1H5* T 89 11.325 -4.181 -1.987
229 2H5* T 89 2H5* T 89 12.344 -5.524 -1.288
230 H4* T 89 H4* T 89 9.839 -5.528 -0.395
231 H3* T 89 H3* T 89 11.265 -7.785 -1.468
232 1H2* T 89 1H2* T 89 10.004 -7.811 -3.400
233 2H2* T 89 2H2* T 89 8.900 -8.822 -2.482
234 H1* T 89 H1* T 89 7.624 -6.926 -1.805
235 H3 T 89 H3 T 89 4.540 -6.001 -4.788
236 1H5M T 89 1H5M T 89 8.990 -5.511 -7.494
237 2H5M T 89 2H5M T 89 8.966 -7.133 -7.560
238 3H5M T 89 3H5M T 89 7.599 -6.161 -8.299
239 H6 T 89 H6 T 89 9.322 -6.512 -5.050
240 1H5* A 90 1H5* A 90 7.539 -9.150 1.156
241 2H5* A 90 2H5* A 90 7.595 -10.884 1.519
242 H4* A 90 H4* A 90 5.308 -10.145 0.536
243 H3* A 90 H3* A 90 6.536 -12.538 0.054
244 H1* A 90 H1* A 90 4.576 -10.503 -2.028
245 H8 A 90 H8 A 90 7.855 -10.456 -3.874
246 1H6 A 90 1H6 A 90 4.113 -8.780 -8.725
247 2H6 A 90 2H6 A 90 5.782 -8.962 -8.263
248 H2 A 90 H2 A 90 1.794 -8.901 -5.100
249 1H2* A 90 1H2* A 90 7.290 -11.843 -2.156
250 2H2* A 90 2H2* A 90 5.763 -12.654 -2.650
251 1H5* G 91 1H5* G 91 2.055 -11.815 -1.231
252 2H5* G 91 2H5* G 91 1.639 -12.325 0.429
253 H4* G 91 H4* G 91 -0.546 -12.448 -0.309
254 H3* G 91 H3* G 91 0.287 -15.015 -0.641
255 H1* G 91 H1* G 91 -0.731 -13.287 -3.987
256 H8 G 91 H8 G 91 2.919 -13.414 -3.051
257 H1 G 91 H1 G 91 1.355 -11.541 -8.981
258 1H2 G 91 1H2 G 91 -1.649 -11.325 -7.618
259 2H2 G 91 2H2 G 91 -0.650 -11.257 -8.990
260 1H2* G 91 1H2* G 91 1.321 -14.846 -2.686
261 2H2* G 91 2H2* G 91 -0.288 -15.308 -3.354
262 1H5* A 92 1H5* A 92 -3.090 -13.365 -3.410
263 2H5* A 92 2H5* A 92 -4.476 -13.994 -2.454
264 H4* A 92 H4* A 92 -5.424 -13.275 -4.345
265 H3* A 92 H3* A 92 -5.632 -16.001 -3.703
266 H1* A 92 H1* A 92 -4.480 -15.333 -7.339
267 H8 A 92 H8 A 92 -1.849 -16.404 -5.009
268 1H6 A 92 1H6 A 92 2.098 -14.546 -9.588
269 2H6 A 92 2H6 A 92 2.143 -15.509 -8.079
270 H2 A 92 H2 A 92 -1.807 -13.604 -10.752
271 1H2* A 92 1H2* A 92 -3.821 -16.758 -4.878
272 2H2* A 92 2H2* A 92 -4.972 -17.105 -6.174
273 1H5* G 93 1H5* G 93 -7.009 -15.214 -7.805
274 2H5* G 93 2H5* G 93 -8.575 -15.606 -8.326
275 H4* G 93 H4* G 93 -7.464 -16.100 -10.117
276 H3* G 93 H3* G 93 -8.023 -18.484 -8.767
277 H1* G 93 H1* G 93 -5.079 -17.668 -10.833
278 H8 G 93 H8 G 93 -3.967 -18.851 -7.438
279 H1 G 93 H1 G 93 0.932 -17.192 -11.272
280 1H2 G 93 1H2 G 93 -1.684 -16.125 -13.321
281 2H2 G 93 2H2 G 93 0.071 -16.322 -13.100
282 1H2* G 93 1H2* G 93 -5.967 -18.779 -8.029
283 2H2* G 93 2H2* G 93 -5.961 -19.757 -9.454
284 1H5* C 94 1H5* C 94 -7.689 -16.275 -12.753
285 2H5* C 94 2H5* C 94 -8.624 -16.418 -14.296
286 H4* C 94 H4* C 94 -6.191 -16.579 -14.867
287 H3* C 94 H3* C 94 -8.062 -18.708 -15.320
288 H1* C 94 H1* C 94 -4.345 -18.726 -14.780
289 1H4 C 94 1H4 C 94 -2.098 -22.309 -9.689
290 2H4 C 94 2H4 C 94 -0.798 -21.669 -10.614
291 H5 C 94 H5 C 94 -4.574 -21.535 -10.133
292 H6 C 94 H6 C 94 -5.912 -20.214 -11.601
293 H3T C 94 H3T C 94 -6.591 -19.164 -17.079
294 1H2* C 94 1H2* C 94 -6.789 -20.126 -13.769
295 2H2* C 94 2H2* C 94 -5.897 -20.372 -15.395
296 1H GLY 1 1H GLY 1 1.927 -15.184 3.720
297 2H GLY 1 2H GLY 1 1.959 -16.223 2.537
298 3H GLY 1 3H GLY 1 0.627 -16.181 3.472
299 1HA GLY 1 1HA GLY 1 1.636 -14.180 1.461
300 2HA GLY 1 2HA GLY 1 0.264 -15.191 1.239
301 HA PRO 2 HA PRO 2 -2.460 -12.414 2.669
302 1HB PRO 2 1HB PRO 2 -3.280 -13.989 5.115
303 2HB PRO 2 2HB PRO 2 -4.343 -13.126 4.013
304 1HG PRO 2 1HG PRO 2 -3.702 -15.827 3.749
305 2HG PRO 2 2HG PRO 2 -4.087 -14.783 2.331
306 1HD PRO 2 1HD PRO 2 -1.457 -16.009 3.169
307 2HD PRO 2 2HD PRO 2 -1.904 -15.151 1.574
308 H ARG 3 H ARG 3 -0.906 -13.770 5.634
309 HA ARG 3 HA ARG 3 -0.686 -11.597 7.399
310 1HB ARG 3 1HB ARG 3 -0.159 -13.796 8.002
311 2HB ARG 3 2HB ARG 3 1.225 -13.881 6.970
312 1HG ARG 3 1HG ARG 3 1.829 -13.593 9.273
313 2HG ARG 3 2HG ARG 3 2.232 -11.984 8.544
314 1HD ARG 3 1HD ARG 3 0.168 -11.108 9.313
315 2HD ARG 3 2HD ARG 3 -0.299 -12.638 10.125
316 HE ARG 3 HE ARG 3 2.123 -12.201 11.264
317 1HH1 ARG 3 2HH1 ARG 3 -0.515 -9.999 11.079
318 2HH1 ARG 3 1HH1 ARG 3 -0.048 -9.149 12.524
319 1HH2 ARG 3 2HH2 ARG 3 2.957 -10.951 12.618
320 2HH2 ARG 3 1HH2 ARG 3 2.019 -9.748 13.455
321 H ARG 4 H ARG 4 1.086 -11.742 4.376
322 HA ARG 4 HA ARG 4 2.952 -9.569 4.938
323 1HB ARG 4 1HB ARG 4 2.812 -11.085 2.814
324 2HB ARG 4 2HB ARG 4 1.293 -10.179 2.513
325 1HG ARG 4 1HG ARG 4 2.889 -8.180 2.146
326 2HG ARG 4 2HG ARG 4 4.175 -9.470 2.122
327 1HD ARG 4 1HD ARG 4 3.589 -9.293 -0.127
328 2HD ARG 4 2HD ARG 4 2.776 -10.655 0.463
329 HE ARG 4 HE ARG 4 0.772 -9.537 -0.151
330 1HH1 ARG 4 2HH1 ARG 4 3.107 -6.825 -0.093
331 2HH1 ARG 4 1HH1 ARG 4 1.815 -5.731 -0.513
332 1HH2 ARG 4 2HH2 ARG 4 -0.566 -8.189 -0.770
333 2HH2 ARG 4 1HH2 ARG 4 -0.196 -6.584 -1.326
334 H THR 5 H THR 5 -0.371 -9.338 4.666
335 HA THR 5 HA THR 5 -0.438 -6.321 4.402
336 HB THR 5 HB THR 5 -2.476 -6.547 3.483
337 HG1 THR 5 HG1 THR 5 -2.575 -9.333 4.269
338 1HG2 THR 5 1HG2 THR 5 -1.626 -9.120 2.108
339 2HG2 THR 5 2HG2 THR 5 -0.524 -7.771 2.059
340 3HG2 THR 5 3HG2 THR 5 -2.159 -7.627 1.384
341 H ARG 6 H ARG 6 -2.676 -5.405 5.376
342 HA ARG 6 HA ARG 6 -2.741 -6.529 8.121
343 1HB ARG 6 1HB ARG 6 -2.926 -3.676 7.194
344 2HB ARG 6 2HB ARG 6 -2.863 -4.211 8.882
345 1HG ARG 6 1HG ARG 6 -0.646 -5.200 8.510
346 2HG ARG 6 2HG ARG 6 -0.653 -4.556 6.892
347 1HD ARG 6 1HD ARG 6 -1.055 -2.640 9.213
348 2HD ARG 6 2HD ARG 6 0.566 -3.260 8.603
349 HE ARG 6 HE ARG 6 0.371 -2.011 6.692
350 1HH1 ARG 6 2HH1 ARG 6 -2.350 -1.088 8.640
351 2HH1 ARG 6 1HH1 ARG 6 -3.222 -0.369 7.342
352 1HH2 ARG 6 2HH2 ARG 6 -0.628 -0.583 5.203
353 2HH2 ARG 6 1HH2 ARG 6 -2.184 0.143 5.625
354 H THR 7 H THR 7 -4.577 -5.526 5.586
355 HA THR 7 HA THR 7 -7.202 -5.958 6.942
356 HB THR 7 HB THR 7 -6.417 -3.587 5.185
357 HG1 THR 7 HG1 THR 7 -7.219 -3.653 7.889
358 1HG2 THR 7 1HG2 THR 7 -9.170 -4.204 6.294
359 2HG2 THR 7 2HG2 THR 7 -8.744 -4.522 4.563
360 3HG2 THR 7 3HG2 THR 7 -8.693 -2.930 5.195
361 H THR 8 H THR 8 -8.620 -7.232 5.837
362 HA THR 8 HA THR 8 -8.258 -7.644 2.874
363 HB THR 8 HB THR 8 -10.008 -9.591 4.358
364 HG1 THR 8 HG1 THR 8 -7.128 -9.538 3.937
365 1HG2 THR 8 1HG2 THR 8 -8.265 -9.829 2.016
366 2HG2 THR 8 2HG2 THR 8 -9.868 -9.203 1.953
367 3HG2 THR 8 3HG2 THR 8 -9.521 -10.932 2.549
368 H PHE 9 H PHE 9 -9.684 -6.882 1.545
369 HA PHE 9 HA PHE 9 -11.748 -5.215 2.700
370 1HB PHE 9 1HB PHE 9 -10.857 -5.483 -0.247
371 2HB PHE 9 2HB PHE 9 -12.060 -4.407 0.376
372 HD1 PHE 9 HD1 PHE 9 -8.176 -5.017 0.821
373 HD2 PHE 9 HD2 PHE 9 -11.598 -2.268 1.302
374 HE1 PHE 9 HE1 PHE 9 -6.690 -3.344 1.381
375 HE2 PHE 9 HE2 PHE 9 -9.976 -0.517 1.849
376 HZ PHE 9 HZ PHE 9 -7.578 -1.048 1.854
377 H THR 10 H THR 10 -13.897 -5.087 2.254
378 HA THR 10 HA THR 10 -15.094 -7.464 0.920
379 HB THR 10 HB THR 10 -16.883 -7.284 2.562
380 HG1 THR 10 HG1 THR 10 -16.753 -5.513 4.054
381 1HG2 THR 10 1HG2 THR 10 -14.508 -6.567 4.342
382 2HG2 THR 10 2HG2 THR 10 -14.592 -8.197 3.536
383 3HG2 THR 10 3HG2 THR 10 -15.839 -7.665 4.733
384 H SER 11 H SER 11 -17.254 -6.997 -0.036
385 HA SER 11 HA SER 11 -17.035 -5.060 -1.997
386 1HB SER 11 1HB SER 11 -19.228 -6.572 -0.807
387 2HB SER 11 2HB SER 11 -19.521 -5.635 -2.247
388 HG SER 11 HG SER 11 -18.662 -7.483 -3.117
389 H SER 12 H SER 12 -18.375 -4.831 1.142
390 HA SER 12 HA SER 12 -20.135 -2.451 0.738
391 1HB SER 12 1HB SER 12 -19.075 -3.699 3.287
392 2HB SER 12 2HB SER 12 -20.338 -2.548 3.280
393 HG SER 12 HG SER 12 -21.719 -4.055 3.174
394 H GLN 13 H GLN 13 -16.773 -2.992 1.884
395 HA GLN 13 HA GLN 13 -16.078 -0.189 2.641
396 1HB GLN 13 1HB GLN 13 -14.299 -2.624 2.129
397 2HB GLN 13 2HB GLN 13 -13.916 -1.138 2.965
398 1HG GLN 13 1HG GLN 13 -15.764 -1.592 4.507
399 2HG GLN 13 2HG GLN 13 -15.787 -3.280 3.959
400 1HE2 GLN 13 1HE2 GLN 13 -14.380 -1.245 6.356
401 2HE2 GLN 13 2HE2 GLN 13 -13.005 -2.234 6.590
402 H ILE 14 H ILE 14 -15.714 -2.458 -0.123
403 HA ILE 14 HA ILE 14 -14.352 -0.448 -1.847
404 HB ILE 14 HB ILE 14 -16.016 -2.863 -2.673
405 1HG1 ILE 14 1HG1 ILE 14 -13.009 -2.568 -2.639
406 2HG1 ILE 14 2HG1 ILE 14 -13.916 -3.410 -1.347
407 1HG2 ILE 14 1HG2 ILE 14 -14.382 -0.733 -4.020
408 2HG2 ILE 14 2HG2 ILE 14 -14.348 -2.416 -4.728
409 3HG2 ILE 14 3HG2 ILE 14 -15.869 -1.401 -4.549
410 1HD1 ILE 14 1HD1 ILE 14 -14.802 -5.053 -2.864
411 2HD1 ILE 14 2HD1 ILE 14 -13.730 -4.435 -4.164
412 3HD1 ILE 14 3HD1 ILE 14 -12.983 -5.158 -2.791
413 H ALA 15 H ALA 15 -17.717 -1.132 -1.196
414 HA ALA 15 HA ALA 15 -18.863 0.690 -3.055
415 1HB ALA 15 1HB ALA 15 -20.187 -0.268 -0.492
416 2HB ALA 15 2HB ALA 15 -20.889 0.652 -1.844
417 3HB ALA 15 3HB ALA 15 -20.339 -1.006 -2.141
418 H GLU 16 H GLU 16 -18.041 1.183 0.429
419 HA GLU 16 HA GLU 16 -19.045 3.854 0.735
420 1HB GLU 16 1HB GLU 16 -16.922 2.103 1.833
421 2HB GLU 16 2HB GLU 16 -16.946 3.742 2.392
422 1HG GLU 16 1HG GLU 16 -18.453 1.398 3.424
423 2HG GLU 16 2HG GLU 16 -18.008 2.948 4.019
424 H LEU 17 H LEU 17 -15.835 2.411 0.080
425 HA LEU 17 HA LEU 17 -14.221 4.647 -0.040
426 1HB LEU 17 1HB LEU 17 -13.993 1.899 -1.233
427 2HB LEU 17 2HB LEU 17 -12.683 3.224 -1.570
428 HG LEU 17 HG LEU 17 -13.574 2.631 1.211
429 1HD1 LEU 17 1HD1 LEU 17 -11.141 1.078 0.149
430 2HD1 LEU 17 2HD1 LEU 17 -12.710 0.403 0.712
431 3HD1 LEU 17 3HD1 LEU 17 -11.771 1.430 1.782
432 1HD2 LEU 17 1HD2 LEU 17 -11.276 3.390 1.709
433 2HD2 LEU 17 2HD2 LEU 17 -12.197 4.525 0.815
434 3HD2 LEU 17 3HD2 LEU 17 -10.886 3.765 0.028
435 H GLU 18 H GLU 18 -15.947 2.974 -2.690
436 HA GLU 18 HA GLU 18 -15.424 4.624 -4.937
437 1HB GLU 18 1HB GLU 18 -17.745 2.830 -4.207
438 2HB GLU 18 2HB GLU 18 -17.699 3.618 -5.697
439 1HG GLU 18 1HG GLU 18 -15.417 1.866 -4.914
440 2HG GLU 18 2HG GLU 18 -16.905 1.409 -5.777
441 H GLN 19 H GLN 19 -17.967 4.799 -2.495
442 HA GLN 19 HA GLN 19 -19.252 6.652 -4.306
443 1HB GLN 19 1HB GLN 19 -19.924 5.753 -1.471
444 2HB GLN 19 2HB GLN 19 -20.805 7.052 -2.241
445 1HG GLN 19 1HG GLN 19 -20.650 4.255 -3.468
446 2HG GLN 19 2HG GLN 19 -22.056 5.181 -2.647
447 1HE2 GLN 19 1HE2 GLN 19 -22.770 7.222 -4.018
448 2HE2 GLN 19 2HE2 GLN 19 -22.304 7.181 -5.723
449 H HIS 20 H HIS 20 -17.373 7.113 -1.115
450 HA HIS 20 HA HIS 20 -17.487 10.026 -1.337
451 1HB HIS 20 1HB HIS 20 -15.997 7.963 0.209
452 2HB HIS 20 2HB HIS 20 -15.746 9.673 0.477
453 HD1 HIS 20 HD1 HIS 20 -18.632 10.614 0.563
454 HD2 HIS 20 HD2 HIS 20 -17.656 6.746 1.733
455 HE1 HIS 20 HE1 HIS 20 -20.795 9.705 1.726
456 H PHE 21 H PHE 21 -15.183 7.488 -2.594
457 HA PHE 21 HA PHE 21 -13.391 9.358 -3.622
458 1HB PHE 21 1HB PHE 21 -12.685 7.302 -4.308
459 2HB PHE 21 2HB PHE 21 -14.317 6.681 -4.328
460 HD1 PHE 21 HD1 PHE 21 -15.454 6.317 -6.655
461 HD2 PHE 21 HD2 PHE 21 -11.849 8.768 -6.244
462 HE1 PHE 21 HE1 PHE 21 -15.294 6.453 -9.027
463 HE2 PHE 21 HE2 PHE 21 -11.604 8.760 -8.595
464 HZ PHE 21 HZ PHE 21 -13.242 7.661 -10.122
465 H LEU 22 H LEU 22 -16.667 8.758 -4.823
466 HA LEU 22 HA LEU 22 -16.616 10.112 -7.284
467 1HB LEU 22 1HB LEU 22 -18.976 10.307 -5.415
468 2HB LEU 22 2HB LEU 22 -19.018 10.703 -6.963
469 HG LEU 22 HG LEU 22 -18.525 7.803 -5.991
470 1HD1 LEU 22 1HD1 LEU 22 -20.877 8.779 -5.970
471 2HD1 LEU 22 2HD1 LEU 22 -20.612 7.321 -6.994
472 3HD1 LEU 22 3HD1 LEU 22 -20.738 8.916 -7.716
473 1HD2 LEU 22 1HD2 LEU 22 -18.752 8.661 -8.924
474 2HD2 LEU 22 2HD2 LEU 22 -18.691 7.060 -8.062
475 3HD2 LEU 22 3HD2 LEU 22 -17.272 8.130 -8.194
476 H GLN 23 H GLN 23 -16.544 11.496 -4.074
477 HA GLN 23 HA GLN 23 -16.881 14.189 -5.093
478 1HB GLN 23 1HB GLN 23 -16.129 13.109 -2.385
479 2HB GLN 23 2HB GLN 23 -16.812 14.733 -2.557
480 1HG GLN 23 1HG GLN 23 -18.402 12.107 -2.909
481 2HG GLN 23 2HG GLN 23 -18.417 13.264 -1.635
482 1HE2 GLN 23 1HE2 GLN 23 -20.016 12.255 -4.128
483 2HE2 GLN 23 2HE2 GLN 23 -20.918 13.692 -4.466
484 H GLY 24 H GLY 24 -14.215 12.178 -4.640
485 1HA GLY 24 1HA GLY 24 -12.397 14.307 -5.385
486 2HA GLY 24 2HA GLY 24 -12.102 13.744 -3.747
487 H ARG 25 H ARG 25 -11.741 13.269 -7.130
488 HA ARG 25 HA ARG 25 -11.663 10.526 -7.594
489 1HB ARG 25 1HB ARG 25 -10.682 10.825 -9.529
490 2HB ARG 25 2HB ARG 25 -11.764 12.127 -9.315
491 1HG ARG 25 1HG ARG 25 -10.179 13.806 -9.081
492 2HG ARG 25 2HG ARG 25 -8.865 12.574 -8.857
493 1HD ARG 25 1HD ARG 25 -9.359 11.696 -11.157
494 2HD ARG 25 2HD ARG 25 -10.607 12.930 -11.329
495 HE ARG 25 HE ARG 25 -7.621 13.182 -11.320
496 1HH1 ARG 25 2HH1 ARG 25 -10.655 15.097 -11.688
497 2HH1 ARG 25 1HH1 ARG 25 -9.741 16.494 -12.128
498 1HH2 ARG 25 2HH2 ARG 25 -6.567 15.328 -11.540
499 2HH2 ARG 25 1HH2 ARG 25 -7.749 16.588 -11.863
500 H TYR 26 H TYR 26 -8.957 12.280 -6.132
501 HA TYR 26 HA TYR 26 -7.449 9.722 -5.726
502 1HB TYR 26 1HB TYR 26 -5.585 10.489 -6.922
503 2HB TYR 26 2HB TYR 26 -6.766 11.013 -8.017
504 HD1 TYR 26 HD1 TYR 26 -3.918 12.074 -6.841
505 HD2 TYR 26 HD2 TYR 26 -7.976 13.468 -7.054
506 HE1 TYR 26 HE1 TYR 26 -3.118 14.535 -6.856
507 HE2 TYR 26 HE2 TYR 26 -7.194 15.848 -7.013
508 HH TYR 26 HH TYR 26 -5.442 17.265 -6.939
509 H LEU 27 H LEU 27 -8.843 11.000 -4.010
510 HA LEU 27 HA LEU 27 -9.015 11.389 -1.866
511 1HB LEU 27 1HB LEU 27 -6.514 10.000 -2.089
512 2HB LEU 27 2HB LEU 27 -6.380 11.214 -0.818
513 HG LEU 27 HG LEU 27 -8.035 8.748 -1.258
514 1HD1 LEU 27 1HD1 LEU 27 -5.647 8.695 -0.462
515 2HD1 LEU 27 2HD1 LEU 27 -6.665 7.882 0.752
516 3HD1 LEU 27 3HD1 LEU 27 -6.056 9.599 0.963
517 1HD2 LEU 27 1HD2 LEU 27 -8.827 9.145 1.190
518 2HD2 LEU 27 2HD2 LEU 27 -9.685 9.915 -0.266
519 3HD2 LEU 27 3HD2 LEU 27 -8.567 10.853 0.741
520 H THR 28 H THR 28 -8.615 12.885 -0.320
521 HA THR 28 HA THR 28 -6.373 14.872 -0.450
522 HB THR 28 HB THR 28 -7.798 16.646 0.361
523 HG1 THR 28 HG1 THR 28 -10.112 16.212 0.002
524 1HG2 THR 28 1HG2 THR 28 -7.813 15.980 -2.262
525 2HG2 THR 28 2HG2 THR 28 -8.734 17.353 -1.595
526 3HG2 THR 28 3HG2 THR 28 -9.404 15.607 -1.859
527 H ALA 29 H ALA 29 -5.837 15.498 2.022
528 HA ALA 29 HA ALA 29 -6.262 13.477 3.826
529 1HB ALA 29 1HB ALA 29 -4.573 15.196 4.191
530 2HB ALA 29 2HB ALA 29 -5.789 16.517 4.343
531 3HB ALA 29 3HB ALA 29 -5.648 15.290 5.558
532 HA PRO 30 HA PRO 30 -10.409 15.506 5.546
533 1HB PRO 30 1HB PRO 30 -11.800 16.599 3.438
534 2HB PRO 30 2HB PRO 30 -11.205 17.454 4.933
535 1HG PRO 30 1HG PRO 30 -10.035 17.252 2.162
536 2HG PRO 30 2HG PRO 30 -9.877 18.569 3.394
537 1HD PRO 30 1HD PRO 30 -7.915 16.803 2.681
538 2HD PRO 30 2HD PRO 30 -8.052 17.481 4.363
539 H ARG 31 H ARG 31 -10.439 14.346 1.984
540 HA ARG 31 HA ARG 31 -12.563 12.391 2.184
541 1HB ARG 31 1HB ARG 31 -9.973 12.588 0.603
542 2HB ARG 31 2HB ARG 31 -11.149 11.321 0.320
543 1HG ARG 31 1HG ARG 31 -10.879 13.823 -1.031
544 2HG ARG 31 2HG ARG 31 -11.848 12.436 -1.260
545 1HD ARG 31 1HD ARG 31 -13.538 13.378 0.276
546 2HD ARG 31 2HD ARG 31 -12.348 14.572 0.845
547 HE ARG 31 HE ARG 31 -12.582 15.495 -1.624
548 1HH1 ARG 31 2HH1 ARG 31 -15.002 14.794 0.867
549 2HH1 ARG 31 1HH1 ARG 31 -15.997 16.131 0.260
550 1HH2 ARG 31 2HH2 ARG 31 -13.847 16.846 -2.332
551 2HH2 ARG 31 1HH2 ARG 31 -15.486 17.129 -1.594
552 H LEU 32 H LEU 32 -9.035 11.798 2.676
553 HA LEU 32 HA LEU 32 -9.215 9.115 3.445
554 1HB LEU 32 1HB LEU 32 -7.334 10.819 2.779
555 2HB LEU 32 2HB LEU 32 -7.252 11.267 4.404
556 HG LEU 32 HG LEU 32 -6.487 8.597 3.327
557 1HD1 LEU 32 1HD1 LEU 32 -4.919 10.414 3.069
558 2HD1 LEU 32 2HD1 LEU 32 -4.295 9.360 4.458
559 3HD1 LEU 32 3HD1 LEU 32 -5.011 10.984 4.628
560 1HD2 LEU 32 1HD2 LEU 32 -6.280 9.438 6.142
561 2HD2 LEU 32 2HD2 LEU 32 -5.813 7.935 5.404
562 3HD2 LEU 32 3HD2 LEU 32 -7.521 8.227 5.522
563 H ALA 33 H ALA 33 -9.396 11.961 5.614
564 HA ALA 33 HA ALA 33 -9.716 10.603 8.074
565 1HB ALA 33 1HB ALA 33 -8.956 12.868 7.862
566 2HB ALA 33 2HB ALA 33 -10.505 13.401 7.249
567 3HB ALA 33 3HB ALA 33 -10.361 12.680 8.947
568 H ASP 34 H ASP 34 -12.216 12.331 6.054
569 HA ASP 34 HA ASP 34 -14.474 11.314 7.420
570 1HB ASP 34 1HB ASP 34 -14.231 13.286 6.029
571 2HB ASP 34 2HB ASP 34 -14.091 12.350 4.634
572 H LEU 35 H LEU 35 -12.773 9.797 4.776
573 HA LEU 35 HA LEU 35 -14.785 7.778 4.666
574 1HB LEU 35 1HB LEU 35 -12.612 8.423 2.972
575 2HB LEU 35 2HB LEU 35 -12.211 6.852 3.666
576 HG LEU 35 HG LEU 35 -13.628 5.656 2.433
577 1HD1 LEU 35 1HD1 LEU 35 -15.704 7.768 2.675
578 2HD1 LEU 35 2HD1 LEU 35 -15.525 6.171 3.491
579 3HD1 LEU 35 3HD1 LEU 35 -15.762 6.170 1.813
580 1HD2 LEU 35 1HD2 LEU 35 -13.893 6.776 0.231
581 2HD2 LEU 35 2HD2 LEU 35 -12.348 7.170 1.000
582 3HD2 LEU 35 3HD2 LEU 35 -13.630 8.363 0.889
583 H SER 36 H SER 36 -11.760 8.028 6.345
584 HA SER 36 HA SER 36 -11.446 5.391 7.078
585 1HB SER 36 1HB SER 36 -9.601 6.833 7.279
586 2HB SER 36 2HB SER 36 -10.480 8.008 8.255
587 HG SER 36 HG SER 36 -9.790 5.398 8.979
588 H ALA 37 H ALA 37 -13.205 7.999 8.560
589 HA ALA 37 HA ALA 37 -14.023 6.693 11.003
590 1HB ALA 37 1HB ALA 37 -13.887 9.253 10.420
591 2HB ALA 37 2HB ALA 37 -15.323 9.009 9.376
592 3HB ALA 37 3HB ALA 37 -15.414 8.732 11.144
593 H LYS 38 H LYS 38 -15.854 7.113 7.775
594 HA LYS 38 HA LYS 38 -18.133 5.580 8.581
595 1HB LYS 38 1HB LYS 38 -16.801 6.404 6.079
596 2HB LYS 38 2HB LYS 38 -18.518 5.820 5.951
597 1HG LYS 38 1HG LYS 38 -19.270 7.527 7.250
598 2HG LYS 38 2HG LYS 38 -17.701 8.329 7.433
599 1HD LYS 38 1HD LYS 38 -17.658 8.097 4.773
600 2HD LYS 38 2HD LYS 38 -19.310 7.794 4.813
601 1HE LYS 38 1HE LYS 38 -18.018 10.362 5.825
602 2HE LYS 38 2HE LYS 38 -18.943 10.068 4.301
603 1HZ LYS 38 1HZ LYS 38 -20.902 9.584 5.697
604 2HZ LYS 38 2HZ LYS 38 -20.327 11.032 6.193
605 3HZ LYS 38 3HZ LYS 38 -20.018 9.747 7.018
606 H LEU 39 H LEU 39 -15.552 4.778 6.361
607 HA LEU 39 HA LEU 39 -16.291 2.026 5.915
608 1HB LEU 39 1HB LEU 39 -13.622 3.495 6.108
609 2HB LEU 39 2HB LEU 39 -13.545 1.876 5.794
610 HG LEU 39 HG LEU 39 -15.099 3.692 3.851
611 1HD1 LEU 39 1HD1 LEU 39 -12.247 2.641 3.690
612 2HD1 LEU 39 2HD1 LEU 39 -12.697 4.218 4.407
613 3HD1 LEU 39 3HD1 LEU 39 -13.051 3.902 2.679
614 1HD2 LEU 39 1HD2 LEU 39 -13.730 0.960 3.467
615 2HD2 LEU 39 2HD2 LEU 39 -14.957 1.788 2.461
616 3HD2 LEU 39 3HD2 LEU 39 -15.429 1.074 4.051
617 H ALA 40 H ALA 40 -14.764 3.377 8.656
618 HA ALA 40 HA ALA 40 -14.155 2.685 10.683
619 1HB ALA 40 1HB ALA 40 -15.295 0.605 11.552
620 2HB ALA 40 2HB ALA 40 -16.312 1.437 10.405
621 3HB ALA 40 3HB ALA 40 -15.446 -0.051 9.925
622 H LEU 41 H LEU 41 -12.477 2.670 8.558
623 HA LEU 41 HA LEU 41 -10.309 0.527 8.912
624 1HB LEU 41 1HB LEU 41 -11.284 2.130 6.596
625 2HB LEU 41 2HB LEU 41 -9.808 1.307 6.547
626 HG LEU 41 HG LEU 41 -12.508 0.106 6.713
627 1HD1 LEU 41 1HD1 LEU 41 -11.260 0.776 4.528
628 2HD1 LEU 41 2HD1 LEU 41 -11.858 -0.831 4.551
629 3HD1 LEU 41 3HD1 LEU 41 -10.222 -0.716 4.879
630 1HD2 LEU 41 1HD2 LEU 41 -11.229 -2.167 6.650
631 2HD2 LEU 41 2HD2 LEU 41 -11.395 -1.434 8.281
632 3HD2 LEU 41 3HD2 LEU 41 -9.923 -1.346 7.436
633 H GLY 42 H GLY 42 -8.473 1.054 9.134
634 1HA GLY 42 1HA GLY 42 -7.212 3.463 10.141
635 2HA GLY 42 2HA GLY 42 -6.466 2.072 9.381
636 H THR 43 H THR 43 -6.348 5.162 9.342
637 HA THR 43 HA THR 43 -7.014 6.267 6.832
638 HB THR 43 HB THR 43 -4.819 7.781 7.431
639 HG1 THR 43 HG1 THR 43 -4.437 7.730 9.582
640 1HG2 THR 43 1HG2 THR 43 -6.067 9.140 8.923
641 2HG2 THR 43 2HG2 THR 43 -6.909 7.763 9.540
642 3HG2 THR 43 3HG2 THR 43 -7.305 8.243 7.854
643 H ALA 44 H ALA 44 -3.970 4.421 7.431
644 HA ALA 44 HA ALA 44 -2.976 4.739 4.968
645 1HB ALA 44 1HB ALA 44 -2.769 2.415 6.748
646 2HB ALA 44 2HB ALA 44 -1.492 2.687 5.627
647 3HB ALA 44 3HB ALA 44 -1.787 3.887 6.880
648 H GLN 45 H GLN 45 -5.608 2.509 5.674
649 HA GLN 45 HA GLN 45 -5.452 1.001 3.185
650 1HB GLN 45 1HB GLN 45 -7.494 1.586 5.371
651 2HB GLN 45 2HB GLN 45 -7.993 0.623 3.918
652 1HG GLN 45 1HG GLN 45 -7.403 -0.960 5.693
653 2HG GLN 45 2HG GLN 45 -6.304 -1.023 4.294
654 1HE2 GLN 45 1HE2 GLN 45 -6.616 -0.365 7.741
655 2HE2 GLN 45 2HE2 GLN 45 -4.960 0.179 8.054
656 H VAL 46 H VAL 46 -6.794 4.290 3.907
657 HA VAL 46 HA VAL 46 -8.675 3.905 1.833
658 HB VAL 46 HB VAL 46 -7.755 6.566 2.931
659 1HG1 VAL 46 1HG1 VAL 46 -9.116 6.873 0.991
660 2HG1 VAL 46 2HG1 VAL 46 -10.419 5.846 1.519
661 3HG1 VAL 46 3HG1 VAL 46 -10.045 7.326 2.365
662 1HG2 VAL 46 1HG2 VAL 46 -10.074 4.857 3.965
663 2HG2 VAL 46 2HG2 VAL 46 -8.499 5.096 4.833
664 3HG2 VAL 46 3HG2 VAL 46 -9.643 6.426 4.524
665 H LYS 47 H LYS 47 -5.746 5.789 2.306
666 HA LYS 47 HA LYS 47 -5.178 6.716 -0.180
667 1HB LYS 47 1HB LYS 47 -3.415 5.518 2.045
668 2HB LYS 47 2HB LYS 47 -2.688 6.474 0.711
669 1HG LYS 47 1HG LYS 47 -4.157 8.371 1.362
670 2HG LYS 47 2HG LYS 47 -4.614 7.481 2.869
671 1HD LYS 47 1HD LYS 47 -1.844 8.146 2.025
672 2HD LYS 47 2HD LYS 47 -2.802 9.198 3.041
673 1HE LYS 47 1HE LYS 47 -3.096 7.467 4.768
674 2HE LYS 47 2HE LYS 47 -2.298 6.301 3.897
675 1HZ LYS 47 1HZ LYS 47 -1.087 8.817 4.730
676 2HZ LYS 47 2HZ LYS 47 -0.279 7.592 3.882
677 3HZ LYS 47 3HZ LYS 47 -0.970 7.392 5.421
678 H ILE 48 H ILE 48 -4.295 3.510 1.028
679 HA ILE 48 HA ILE 48 -2.713 2.947 -1.307
680 HB ILE 48 HB ILE 48 -3.910 1.115 0.801
681 1HG1 ILE 48 1HG1 ILE 48 -0.973 1.825 0.415
682 2HG1 ILE 48 2HG1 ILE 48 -2.035 2.817 1.430
683 1HG2 ILE 48 1HG2 ILE 48 -3.446 -0.317 -1.318
684 2HG2 ILE 48 2HG2 ILE 48 -1.818 0.407 -1.219
685 3HG2 ILE 48 3HG2 ILE 48 -2.302 -0.825 -0.054
686 1HD1 ILE 48 1HD1 ILE 48 -2.277 0.541 2.844
687 2HD1 ILE 48 2HD1 ILE 48 -0.982 0.076 1.759
688 3HD1 ILE 48 3HD1 ILE 48 -0.846 1.522 2.890
689 H TRP 49 H TRP 49 -6.152 2.045 -0.223
690 HA TRP 49 HA TRP 49 -6.963 0.670 -2.463
691 1HB TRP 49 1HB TRP 49 -8.530 0.886 -0.657
692 2HB TRP 49 2HB TRP 49 -8.535 2.657 -0.749
693 HD1 TRP 49 HD1 TRP 49 -9.185 -0.609 -2.699
694 HE1 TRP 49 HE1 TRP 49 -11.308 -0.510 -3.993
695 HE3 TRP 49 HE3 TRP 49 -10.043 4.329 -2.218
696 HZ2 TRP 49 HZ2 TRP 49 -13.059 1.666 -5.010
697 HZ3 TRP 49 HZ3 TRP 49 -11.706 5.488 -3.570
698 HH2 TRP 49 HH2 TRP 49 -13.275 4.095 -5.124
699 H PHE 50 H PHE 50 -7.284 4.230 -2.029
700 HA PHE 50 HA PHE 50 -8.181 4.586 -4.684
701 1HB PHE 50 1HB PHE 50 -6.638 6.216 -2.536
702 2HB PHE 50 2HB PHE 50 -6.678 6.984 -4.047
703 HD1 PHE 50 HD1 PHE 50 -8.581 8.186 -4.862
704 HD2 PHE 50 HD2 PHE 50 -8.970 6.005 -1.105
705 HE1 PHE 50 HE1 PHE 50 -10.636 9.285 -4.355
706 HE2 PHE 50 HE2 PHE 50 -10.985 7.246 -0.624
707 HZ PHE 50 HZ PHE 50 -11.836 8.962 -2.175
708 H LYS 51 H LYS 51 -4.780 4.800 -3.543
709 HA LYS 51 HA LYS 51 -3.533 5.548 -6.053
710 1HB LYS 51 1HB LYS 51 -2.415 3.900 -3.669
711 2HB LYS 51 2HB LYS 51 -1.503 4.555 -5.084
712 1HG LYS 51 1HG LYS 51 -1.396 6.624 -4.501
713 2HG LYS 51 2HG LYS 51 -2.860 6.762 -3.714
714 1HD LYS 51 1HD LYS 51 -0.587 6.903 -2.618
715 2HD LYS 51 2HD LYS 51 -1.856 6.284 -1.674
716 1HE LYS 51 1HE LYS 51 -1.271 4.132 -1.435
717 2HE LYS 51 2HE LYS 51 -0.094 4.113 -2.834
718 1HZ LYS 51 1HZ LYS 51 0.323 5.950 -0.592
719 2HZ LYS 51 2HZ LYS 51 1.395 5.551 -1.743
720 3HZ LYS 51 3HZ LYS 51 0.920 4.506 -0.529
721 H ASN 52 H ASN 52 -4.283 2.246 -4.812
722 HA ASN 52 HA ASN 52 -3.543 1.106 -7.192
723 1HB ASN 52 1HB ASN 52 -5.451 0.302 -4.997
724 2HB ASN 52 2HB ASN 52 -5.041 -0.803 -6.315
725 1HD2 ASN 52 1HD2 ASN 52 -3.550 0.286 -3.454
726 2HD2 ASN 52 2HD2 ASN 52 -1.976 -0.532 -3.943
727 H ARG 53 H ARG 53 -6.445 2.544 -6.540
728 HA ARG 53 HA ARG 53 -7.819 1.962 -9.110
729 1HB ARG 53 1HB ARG 53 -8.617 3.234 -6.726
730 2HB ARG 53 2HB ARG 53 -8.498 4.528 -7.864
731 1HG ARG 53 1HG ARG 53 -9.955 2.772 -9.263
732 2HG ARG 53 2HG ARG 53 -10.209 2.071 -7.638
733 1HD ARG 53 1HD ARG 53 -10.924 4.159 -6.675
734 2HD ARG 53 2HD ARG 53 -10.795 4.998 -8.178
735 HE ARG 53 HE ARG 53 -12.913 3.134 -7.570
736 1HH1 ARG 53 2HH1 ARG 53 -11.328 5.095 -10.019
737 2HH1 ARG 53 1HH1 ARG 53 -12.810 5.236 -10.995
738 1HH2 ARG 53 2HH2 ARG 53 -14.665 3.492 -8.738
739 2HH2 ARG 53 1HH2 ARG 53 -14.659 4.377 -10.238
740 H ARG 54 H ARG 54 -5.861 4.726 -8.093
741 HA ARG 54 HA ARG 54 -6.032 6.035 -10.635
742 1HB ARG 54 1HB ARG 54 -3.677 6.189 -8.743
743 2HB ARG 54 2HB ARG 54 -4.088 7.367 -9.957
744 1HG ARG 54 1HG ARG 54 -5.216 7.013 -7.272
745 2HG ARG 54 2HG ARG 54 -4.733 8.514 -8.210
746 1HD ARG 54 1HD ARG 54 -7.246 6.837 -8.549
747 2HD ARG 54 2HD ARG 54 -7.155 8.493 -7.767
748 HE ARG 54 HE ARG 54 -6.224 8.538 -10.426
749 1HH1 ARG 54 2HH1 ARG 54 -8.963 7.248 -8.897
750 2HH1 ARG 54 1HH1 ARG 54 -9.990 7.372 -10.300
751 1HH2 ARG 54 2HH2 ARG 54 -7.677 9.271 -12.116
752 2HH2 ARG 54 1HH2 ARG 54 -9.255 8.585 -12.087
753 H ARG 55 H ARG 55 -3.551 4.064 -9.388
754 HA ARG 55 HA ARG 55 -1.931 3.711 -11.723
755 1HB ARG 55 1HB ARG 55 -2.487 1.627 -9.557
756 2HB ARG 55 2HB ARG 55 -1.260 1.614 -10.945
757 1HG ARG 55 1HG ARG 55 -1.286 3.915 -8.963
758 2HG ARG 55 2HG ARG 55 -0.458 2.516 -8.526
759 1HD ARG 55 1HD ARG 55 0.040 4.029 -11.005
760 2HD ARG 55 2HD ARG 55 0.823 4.357 -9.546
761 HE ARG 55 HE ARG 55 1.449 2.190 -11.442
762 1HH1 ARG 55 2HH1 ARG 55 1.849 2.984 -7.862
763 2HH1 ARG 55 1HH1 ARG 55 3.565 2.722 -8.099
764 1HH2 ARG 55 2HH2 ARG 55 3.371 1.486 -11.220
765 2HH2 ARG 55 1HH2 ARG 55 4.167 1.456 -9.594
766 H ARG 56 H ARG 56 -4.485 1.486 -10.706
767 HA ARG 56 HA ARG 56 -4.615 0.058 -13.040
768 1HB ARG 56 1HB ARG 56 -5.801 -0.613 -10.909
769 2HB ARG 56 2HB ARG 56 -6.912 0.652 -11.033
770 1HG ARG 56 1HG ARG 56 -8.090 -0.327 -12.757
771 2HG ARG 56 2HG ARG 56 -6.827 -1.431 -13.270
772 1HD ARG 56 1HD ARG 56 -8.463 -2.680 -12.014
773 2HD ARG 56 2HD ARG 56 -7.000 -2.595 -11.053
774 HE ARG 56 HE ARG 56 -9.549 -1.162 -10.745
775 1HH1 ARG 56 2HH1 ARG 56 -6.466 -1.630 -9.177
776 2HH1 ARG 56 1HH1 ARG 56 -7.157 -1.587 -7.589
777 1HH2 ARG 56 2HH2 ARG 56 -10.290 -0.980 -8.555
778 2HH2 ARG 56 1HH2 ARG 56 -9.060 -0.915 -7.313
779 H HIS 57 H HIS 57 -6.672 2.873 -12.410
780 HA HIS 57 HA HIS 57 -8.120 3.187 -14.935
781 1HB HIS 57 1HB HIS 57 -8.713 4.642 -13.229
782 2HB HIS 57 2HB HIS 57 -7.120 5.298 -13.059
783 HD1 HIS 57 HD1 HIS 57 -10.171 5.520 -15.505
784 HD2 HIS 57 HD2 HIS 57 -6.315 7.161 -14.994
785 HE1 HIS 57 HE1 HIS 57 -10.054 7.392 -16.983
786 H LYS 58 H LYS 58 -4.811 4.650 -14.150
787 HA LYS 58 HA LYS 58 -4.445 5.571 -16.951
788 1HB LYS 58 1HB LYS 58 -2.464 6.422 -16.297
789 2HB LYS 58 2HB LYS 58 -3.691 6.831 -15.063
790 1HG LYS 58 1HG LYS 58 -2.500 4.919 -13.731
791 2HG LYS 58 2HG LYS 58 -1.343 4.734 -15.064
792 1HD LYS 58 1HD LYS 58 -0.667 7.158 -14.552
793 2HD LYS 58 2HD LYS 58 -1.989 7.181 -13.456
794 1HE LYS 58 1HE LYS 58 -0.185 6.586 -11.913
795 2HE LYS 58 2HE LYS 58 -0.903 5.094 -12.301
796 1HZ LYS 58 1HZ LYS 58 0.891 4.642 -14.015
797 2HZ LYS 58 2HZ LYS 58 1.683 5.427 -12.764
798 3HZ LYS 58 3HZ LYS 58 1.187 6.207 -14.052
799 H ILE 59 H ILE 59 -3.420 2.590 -15.264
800 HA ILE 59 HA ILE 59 -1.521 1.610 -17.328
801 HB ILE 59 HB ILE 59 -3.145 0.370 -15.040
802 1HG1 ILE 59 1HG1 ILE 59 -0.164 0.464 -15.431
803 2HG1 ILE 59 2HG1 ILE 59 -0.928 1.839 -14.715
804 1HG2 ILE 59 1HG2 ILE 59 -1.179 -0.872 -16.931
805 2HG2 ILE 59 2HG2 ILE 59 -1.629 -1.640 -15.300
806 3HG2 ILE 59 3HG2 ILE 59 -2.775 -1.398 -16.636
807 1HD1 ILE 59 1HD1 ILE 59 -1.818 0.214 -12.779
808 2HD1 ILE 59 2HD1 ILE 59 -0.833 -1.001 -13.455
809 3HD1 ILE 59 3HD1 ILE 59 -0.142 0.507 -12.771
810 H GLN 60 H GLN 60 -5.028 0.930 -16.552
811 HA GLN 60 HA GLN 60 -5.343 -0.683 -18.934
812 1HB GLN 60 1HB GLN 60 -7.362 0.785 -17.232
813 2HB GLN 60 2HB GLN 60 -7.799 -0.333 -18.505
814 1HG GLN 60 1HG GLN 60 -6.671 -2.171 -17.193
815 2HG GLN 60 2HG GLN 60 -6.212 -1.053 -15.910
816 1HE2 GLN 60 1HE2 GLN 60 -7.676 -3.029 -15.062
817 2HE2 GLN 60 2HE2 GLN 60 -9.463 -2.721 -15.093
818 H SER 61 H SER 61 -5.877 2.511 -18.264
819 HA SER 61 HA SER 61 -6.969 3.502 -20.888
820 1HB SER 61 1HB SER 61 -5.244 5.019 -18.890
821 2HB SER 61 2HB SER 61 -6.017 5.733 -20.325
822 HG SER 61 HG SER 61 -7.052 5.163 -17.987
823 H ASP 62 H ASP 62 -3.657 2.688 -19.797
824 HA ASP 62 HA ASP 62 -2.509 4.129 -22.022
825 1HB ASP 62 1HB ASP 62 -1.311 3.072 -19.753
826 2HB ASP 62 2HB ASP 62 -1.114 1.710 -20.895
827 H GLN 63 H GLN 63 -3.663 0.874 -21.865
828 HA GLN 63 HA GLN 63 -2.561 0.412 -24.555
829 1HB GLN 63 1HB GLN 63 -2.294 -1.902 -23.792
830 2HB GLN 63 2HB GLN 63 -1.674 -0.742 -22.578
831 1HG GLN 63 1HG GLN 63 -3.937 -0.979 -21.362
832 2HG GLN 63 2HG GLN 63 -4.221 -2.387 -22.242
833 1HE2 GLN 63 1HE2 GLN 63 -2.396 -0.981 -19.483
834 2HE2 GLN 63 2HE2 GLN 63 -1.181 -2.189 -19.426
835 H HIS 64 H HIS 64 -5.530 1.481 -23.674
836 HA HIS 64 HA HIS 64 -7.183 -0.241 -25.458
837 1HB HIS 64 1HB HIS 64 -7.042 -1.524 -23.390
838 2HB HIS 64 2HB HIS 64 -7.797 -0.213 -22.504
839 HD1 HIS 64 HD1 HIS 64 -10.546 -0.246 -22.829
840 HD2 HIS 64 HD2 HIS 64 -8.282 -2.484 -25.563
841 HE1 HIS 64 HE1 HIS 64 -12.263 -1.614 -24.100
842 H LYS 65 H LYS 65 -6.650 2.742 -23.419
843 HA LYS 65 HA LYS 65 -7.753 4.516 -23.115
844 1HB LYS 65 1HB LYS 65 -8.774 4.137 -25.918
845 2HB LYS 65 2HB LYS 65 -8.872 5.636 -25.064
846 1HG LYS 65 1HG LYS 65 -6.572 5.760 -24.603
847 2HG LYS 65 2HG LYS 65 -6.290 4.375 -25.757
848 1HD LYS 65 1HD LYS 65 -5.638 6.123 -26.997
849 2HD LYS 65 2HD LYS 65 -6.967 5.347 -27.642
850 1HE LYS 65 1HE LYS 65 -7.150 7.830 -27.991
851 2HE LYS 65 2HE LYS 65 -8.561 6.998 -27.228
852 1HZ LYS 65 1HZ LYS 65 -6.662 8.314 -25.469
853 2HZ LYS 65 2HZ LYS 65 -8.325 8.151 -25.369
854 3HZ LYS 65 3HZ LYS 65 -7.672 9.131 -26.454
855 H ASP 66 H ASP 66 -9.941 5.800 -23.270
856 HA ASP 66 HA ASP 66 -11.905 5.901 -21.927
857 1HB ASP 66 1HB ASP 66 -12.478 4.380 -24.490
858 2HB ASP 66 2HB ASP 66 -13.791 5.211 -23.529
859 H GLN 67 H GLN 67 -10.600 4.432 -20.407
860 HA GLN 67 HA GLN 67 -11.197 1.853 -19.864
861 1HB GLN 67 1HB GLN 67 -9.449 3.324 -19.196
862 2HB GLN 67 2HB GLN 67 -10.425 4.267 -18.134
863 1HG GLN 67 1HG GLN 67 -10.293 1.329 -17.716
864 2HG GLN 67 2HG GLN 67 -9.101 2.379 -16.963
865 1HE2 GLN 67 1HE2 GLN 67 -11.560 0.875 -15.939
866 2HE2 GLN 67 2HE2 GLN 67 -12.270 1.938 -14.754
867 H SER 68 H SER 68 -13.280 4.545 -18.979
868 HA SER 68 HA SER 68 -15.321 2.854 -17.778
869 1HB SER 68 1HB SER 68 -13.840 3.126 -15.980
870 2HB SER 68 2HB SER 68 -13.816 4.921 -16.187
871 HG SER 68 HG SER 68 -15.811 4.912 -15.206
Start of MODEL 12
1 1H5* G 69 1H5* G 69 8.220 -23.313 -9.867
2 2H5* G 69 2H5* G 69 9.309 -21.812 -9.855
3 H4* G 69 H4* G 69 7.900 -22.047 -11.872
4 H3* G 69 H3* G 69 8.433 -19.581 -10.591
5 H1* G 69 H1* G 69 4.757 -20.416 -11.241
6 H8 G 69 H8 G 69 5.660 -20.846 -7.493
7 H1 G 69 H1 G 69 -0.533 -21.623 -8.728
8 1H2 G 69 1H2 G 69 0.380 -20.636 -11.880
9 2H2 G 69 2H2 G 69 -0.940 -21.128 -10.809
10 H5T G 69 H5T G 69 7.151 -22.675 -8.236
11 1H2* G 69 1H2* G 69 6.692 -19.726 -9.065
12 2H2* G 69 2H2* G 69 5.981 -18.676 -10.277
13 1H5* C 70 1H5* C 70 5.176 -19.508 -13.802
14 2H5* C 70 2H5* C 70 6.038 -18.510 -14.913
15 H4* C 70 H4* C 70 3.944 -18.591 -15.642
16 H3* C 70 H3* C 70 4.820 -16.014 -14.947
17 H1* C 70 H1* C 70 1.358 -17.100 -13.652
18 1H4 C 70 1H4 C 70 2.497 -17.496 -7.249
19 2H4 C 70 2H4 C 70 0.704 -17.357 -7.497
20 H5 C 70 H5 C 70 4.084 -17.861 -9.027
21 H6 C 70 H6 C 70 4.209 -17.540 -11.410
22 1H2* C 70 1H2* C 70 4.029 -15.904 -12.880
23 2H2* C 70 2H2* C 70 2.641 -15.215 -13.738
24 1H5* T 71 1H5* T 71 0.451 -16.122 -15.458
25 2H5* T 71 2H5* T 71 -0.323 -14.853 -16.407
26 H4* T 71 H4* T 71 -1.527 -15.329 -14.281
27 H3* T 71 H3* T 71 -0.702 -12.711 -15.049
28 1H2* T 71 1H2* T 71 -0.007 -12.175 -12.804
29 2H2* T 71 2H2* T 71 -1.766 -12.371 -12.329
30 H1* T 71 H1* T 71 -1.587 -14.489 -11.785
31 H3 T 71 H3 T 71 0.352 -14.052 -7.669
32 1H5M T 71 1H5M T 71 4.307 -13.832 -11.460
33 2H5M T 71 2H5M T 71 4.415 -13.080 -9.790
34 3H5M T 71 3H5M T 71 4.533 -14.791 -10.084
35 H6 T 71 H6 T 71 2.008 -13.908 -12.205
36 1H5* C 72 1H5* C 72 -4.645 -12.798 -12.308
37 2H5* C 72 2H5* C 72 -5.660 -11.418 -13.033
38 H4* C 72 H4* C 72 -5.351 -11.093 -10.697
39 H3* C 72 H3* C 72 -4.699 -9.144 -12.688
40 H1* C 72 H1* C 72 -3.155 -9.761 -9.451
41 1H4 C 72 1H4 C 72 3.107 -10.302 -8.928
42 2H4 C 72 2H4 C 72 2.557 -10.998 -7.510
43 H5 C 72 H5 C 72 1.931 -9.943 -10.830
44 H6 C 72 H6 C 72 -0.349 -9.856 -11.797
45 1H2* C 72 1H2* C 72 -2.433 -9.438 -12.376
46 2H2* C 72 2H2* C 72 -2.829 -8.181 -11.114
47 1H5* T 73 1H5* T 73 -6.399 -9.138 -8.055
48 2H5* T 73 2H5* T 73 -7.316 -7.970 -7.363
49 H4* T 73 H4* T 73 -5.359 -7.524 -6.419
50 H3* T 73 H3* T 73 -6.083 -5.478 -8.482
51 1H2* T 73 1H2* T 73 -3.929 -5.835 -9.531
52 2H2* T 73 2H2* T 73 -3.312 -4.760 -8.281
53 H1* T 73 H1* T 73 -3.232 -6.641 -6.673
54 H3 T 73 H3 T 73 0.933 -8.201 -6.809
55 1H5M T 73 1H5M T 73 1.379 -7.277 -11.252
56 2H5M T 73 2H5M T 73 -0.263 -6.800 -11.782
57 3H5M T 73 3H5M T 73 1.004 -5.670 -11.072
58 H6 T 73 H6 T 73 -1.996 -6.468 -10.172
59 1H5* A 74 1H5* A 74 -6.249 -6.496 -4.360
60 2H5* A 74 2H5* A 74 -6.942 -5.769 -2.998
61 H4* A 74 H4* A 74 -5.105 -6.664 -2.270
62 H3* A 74 H3* A 74 -5.415 -4.031 -1.950
63 H1* A 74 H1* A 74 -1.955 -5.666 -2.524
64 H8 A 74 H8 A 74 -3.049 -4.159 -6.057
65 1H6 A 74 1H6 A 74 3.044 -4.976 -7.163
66 2H6 A 74 2H6 A 74 1.562 -4.685 -8.008
67 H2 A 74 H2 A 74 2.267 -5.735 -2.868
68 1H2* A 74 1H2* A 74 -3.814 -3.527 -3.432
69 2H2* A 74 2H2* A 74 -2.916 -3.378 -1.915
70 1H5* A 75 1H5* A 75 -1.470 -6.064 -0.130
71 2H5* A 75 2H5* A 75 -1.357 -5.829 1.594
72 H4* A 75 H4* A 75 0.782 -5.758 0.808
73 H3* A 75 H3* A 75 -0.234 -3.293 1.999
74 H1* A 75 H1* A 75 2.226 -3.652 -0.787
75 H8 A 75 H8 A 75 -1.146 -2.064 -2.355
76 1H6 A 75 1H6 A 75 2.813 -1.156 -7.159
77 2H6 A 75 2H6 A 75 1.101 -0.897 -6.707
78 H2 A 75 H2 A 75 5.113 -2.143 -3.598
79 1H2* A 75 1H2* A 75 -0.223 -2.067 0.154
80 2H2* A 75 2H2* A 75 1.396 -1.715 0.542
81 1H5* T 76 1H5* T 76 4.224 -3.908 0.447
82 2H5* T 76 2H5* T 76 4.579 -4.468 2.032
83 H4* T 76 H4* T 76 6.521 -4.002 1.189
84 H3* T 76 H3* T 76 6.002 -2.175 3.128
85 1H2* T 76 1H2* T 76 5.242 -0.300 1.895
86 2H2* T 76 2H2* T 76 6.962 0.001 1.716
87 H1* T 76 H1* T 76 7.251 -0.882 -0.322
88 H3 T 76 H3 T 76 5.742 0.803 -3.841
89 1H5M T 76 1H5M T 76 1.265 0.823 -2.102
90 2H5M T 76 2H5M T 76 1.566 0.583 -0.458
91 3H5M T 76 3H5M T 76 1.784 2.256 -1.077
92 H6 T 76 H6 T 76 3.458 -0.370 0.184
93 1H5* C 77 1H5* C 77 10.405 -1.818 0.933
94 2H5* C 77 2H5* C 77 11.595 -1.501 2.165
95 H4* C 77 H4* C 77 11.911 0.117 0.300
96 H3* C 77 H3* C 77 11.295 1.040 2.912
97 H1* C 77 H1* C 77 10.824 2.223 -0.720
98 1H4 C 77 1H4 C 77 4.515 3.964 -1.000
99 2H4 C 77 2H4 C 77 5.186 3.967 -2.669
100 H5 C 77 H5 C 77 5.658 2.645 0.787
101 H6 C 77 H6 C 77 7.902 2.198 1.483
102 1H2* C 77 1H2* C 77 9.688 2.494 2.108
103 2H2* C 77 2H2* C 77 10.900 3.448 1.415
104 1H5* C 78 1H5* C 78 14.597 3.299 -0.416
105 2H5* C 78 2H5* C 78 15.549 4.579 0.458
106 H4* C 78 H4* C 78 14.855 5.127 -1.776
107 H3* C 78 H3* C 78 14.625 7.095 0.329
108 H1* C 78 H1* C 78 12.120 6.304 -2.696
109 1H4 C 78 1H4 C 78 6.540 6.110 1.097
110 2H4 C 78 2H4 C 78 6.170 6.482 -0.501
111 H5 C 78 H5 C 78 9.042 5.879 1.848
112 H6 C 78 H6 C 78 11.253 5.820 0.991
113 1H2* C 78 1H2* C 78 12.506 7.754 -0.173
114 2H2* C 78 2H2* C 78 13.015 8.010 -1.866
115 1H5* C 79 1H5* C 79 14.777 8.224 -4.340
116 2H5* C 79 2H5* C 79 15.744 9.572 -4.411
117 H4* C 79 H4* C 79 13.985 9.615 -5.982
118 H3* C 79 H3* C 79 14.535 11.913 -4.546
119 H1* C 79 H1* C 79 11.022 10.899 -5.479
120 1H4 C 79 1H4 C 79 7.804 9.538 0.294
121 2H4 C 79 2H4 C 79 6.698 9.979 -0.982
122 H5 C 79 H5 C 79 10.220 9.390 -0.287
123 H6 C 79 H6 C 79 11.916 9.744 -2.279
124 1H2* C 79 1H2* C 79 12.526 11.667 -3.039
125 2H2* C 79 2H2* C 79 12.058 12.803 -4.373
126 1H5* C 80 1H5* C 80 10.799 12.321 -7.411
127 2H5* C 80 2H5* C 80 11.444 13.541 -8.524
128 H4* C 80 H4* C 80 9.134 14.033 -8.125
129 H3* C 80 H3* C 80 10.972 16.093 -7.721
130 H1* C 80 H1* C 80 7.769 15.274 -5.594
131 1H4 C 80 1H4 C 80 8.820 12.612 0.306
132 2H4 C 80 2H4 C 80 7.149 12.841 0.099
133 H5 C 80 H5 C 80 10.498 13.253 -1.353
134 H6 C 80 H6 C 80 10.742 14.273 -3.636
135 1H2* C 80 1H2* C 80 10.773 15.579 -5.142
136 2H2* C 80 2H2* C 80 9.551 16.843 -5.395
137 1H5* G 81 1H5* G 81 6.385 17.493 -8.546
138 2H5* G 81 2H5* G 81 6.315 19.091 -9.235
139 H4* G 81 H4* G 81 4.795 19.222 -7.542
140 H3* G 81 H3* G 81 7.037 20.903 -7.362
141 H1* G 81 H1* G 81 5.340 19.400 -4.524
142 H8 G 81 H8 G 81 8.899 18.534 -4.049
143 H1 G 81 H1 G 81 4.802 15.990 0.250
144 1H2 G 81 1H2 G 81 2.420 17.412 -1.539
145 2H2 G 81 2H2 G 81 2.964 16.315 -0.226
146 H3T G 81 H3T G 81 5.660 22.339 -6.531
147 1H2* G 81 1H2* G 81 8.096 19.657 -5.802
148 2H2* G 81 2H2* G 81 7.287 20.787 -4.725
149 1H5* C 82 1H5* C 82 -0.907 15.920 6.292
150 2H5* C 82 2H5* C 82 -2.083 14.741 6.429
151 H4* C 82 H4* C 82 -1.526 14.609 4.174
152 H3* C 82 H3* C 82 -0.024 12.397 5.490
153 H1* C 82 H1* C 82 0.413 14.490 2.372
154 1H4 C 82 1H4 C 82 6.840 15.068 3.802
155 2H4 C 82 2H4 C 82 6.601 15.386 2.066
156 H5 C 82 H5 C 82 5.159 13.904 5.039
157 H6 C 82 H6 C 82 2.674 13.490 5.046
158 H5T C 82 H5T C 82 0.676 14.577 7.303
159 1H2* C 82 1H2* C 82 1.255 12.063 3.724
160 2H2* C 82 2H2* C 82 -0.124 12.466 2.551
161 1H5* G 83 1H5* G 83 -3.018 12.404 2.118
162 2H5* G 83 2H5* G 83 -3.902 10.951 1.756
163 H4* G 83 H4* G 83 -3.276 12.493 -0.217
164 H3* G 83 H3* G 83 -3.075 9.588 -0.686
165 H1* G 83 H1* G 83 -0.404 11.855 -1.773
166 H8 G 83 H8 G 83 0.619 10.361 1.579
167 H1 G 83 H1 G 83 5.337 13.794 -1.285
168 1H2 G 83 1H2 G 83 2.952 14.505 -3.619
169 2H2 G 83 2H2 G 83 4.571 14.525 -3.075
170 1H2* G 83 1H2* G 83 -1.008 9.611 0.165
171 2H2* G 83 2H2* G 83 -0.777 9.611 -1.593
172 1H5* G 84 1H5* G 84 -2.188 12.710 -4.153
173 2H5* G 84 2H5* G 84 -3.157 11.985 -5.271
174 H4* G 84 H4* G 84 -1.365 13.172 -6.444
175 H3* G 84 H3* G 84 -1.937 10.611 -7.234
176 H1* G 84 H1* G 84 1.716 11.487 -6.399
177 H8 G 84 H8 G 84 0.181 9.427 -3.708
178 H1 G 84 H1 G 84 6.413 10.896 -2.999
179 1H2 G 84 1H2 G 84 5.709 12.369 -6.124
180 2H2 G 84 2H2 G 84 7.038 12.016 -5.004
181 1H2* G 84 1H2* G 84 -0.503 9.483 -5.780
182 2H2* G 84 2H2* G 84 0.479 9.544 -7.196
183 1H5* G 85 1H5* G 85 2.043 11.055 -8.813
184 2H5* G 85 2H5* G 85 2.060 10.601 -10.553
185 H4* G 85 H4* G 85 3.968 9.416 -9.795
186 H3* G 85 H3* G 85 1.721 7.611 -10.287
187 H1* G 85 H1* G 85 4.543 7.515 -7.924
188 H8 G 85 H8 G 85 1.473 6.934 -5.909
189 H1 G 85 H1 G 85 6.855 7.442 -2.529
190 1H2 G 85 1H2 G 85 8.198 8.338 -5.570
191 2H2 G 85 2H2 G 85 8.589 7.594 -4.092
192 1H2* G 85 1H2* G 85 1.464 7.174 -8.067
193 2H2* G 85 2H2* G 85 2.773 5.943 -8.490
194 1H5* G 86 1H5* G 86 6.596 8.069 -11.124
195 2H5* G 86 2H5* G 86 7.114 8.139 -12.739
196 H4* G 86 H4* G 86 8.966 6.970 -11.860
197 H3* G 86 H3* G 86 7.431 5.127 -13.293
198 H1* G 86 H1* G 86 8.537 4.385 -9.673
199 H8 G 86 H8 G 86 4.789 4.895 -9.790
200 H1 G 86 H1 G 86 7.350 4.191 -3.867
201 1H2 G 86 1H2 G 86 9.927 3.483 -5.914
202 2H2 G 86 2H2 G 86 9.394 3.646 -4.241
203 1H2* G 86 1H2* G 86 6.244 4.245 -11.520
204 2H2* G 86 2H2* G 86 7.719 3.212 -11.338
205 1H5* A 87 1H5* A 87 10.817 3.451 -10.890
206 2H5* A 87 2H5* A 87 12.123 3.131 -12.072
207 H4* A 87 H4* A 87 12.560 1.748 -10.183
208 H3* A 87 H3* A 87 11.541 0.298 -12.379
209 H1* A 87 H1* A 87 10.384 -0.247 -8.726
210 H8 A 87 H8 A 87 7.491 1.097 -10.930
211 1H6 A 87 1H6 A 87 4.349 1.451 -5.513
212 2H6 A 87 2H6 A 87 4.076 1.167 -7.211
213 H2 A 87 H2 A 87 8.405 0.363 -4.557
214 1H2* A 87 1H2* A 87 9.349 0.396 -11.435
215 2H2* A 87 2H2* A 87 9.838 -1.247 -10.816
216 1H5* T 88 1H5* T 88 12.701 -1.069 -8.338
217 2H5* T 88 2H5* T 88 13.732 -2.446 -8.216
218 H4* T 88 H4* T 88 12.449 -1.959 -6.269
219 H3* T 88 H3* T 88 12.486 -4.637 -7.440
220 1H2* T 88 1H2* T 88 10.417 -4.489 -8.002
221 2H2* T 88 2H2* T 88 10.049 -5.222 -6.365
222 H1* T 88 H1* T 88 9.689 -3.091 -5.394
223 H3 T 88 H3 T 88 5.241 -2.634 -5.868
224 1H5M T 88 1H5M T 88 7.628 -1.723 -10.746
225 2H5M T 88 2H5M T 88 6.570 -3.158 -10.767
226 3H5M T 88 3H5M T 88 5.854 -1.605 -10.531
227 H6 T 88 H6 T 88 8.931 -2.959 -8.932
228 1H5* T 89 1H5* T 89 11.330 -3.889 -2.786
229 2H5* T 89 2H5* T 89 12.135 -5.130 -1.902
230 H4* T 89 H4* T 89 10.086 -4.378 -0.867
231 H3* T 89 H3* T 89 10.780 -7.065 -1.035
232 1H2* T 89 1H2* T 89 9.510 -7.514 -3.075
233 2H2* T 89 2H2* T 89 8.309 -8.017 -2.029
234 H1* T 89 H1* T 89 7.215 -5.890 -1.807
235 H3 T 89 H3 T 89 4.258 -5.062 -4.903
236 1H5M T 89 1H5M T 89 8.418 -5.993 -7.874
237 2H5M T 89 2H5M T 89 8.243 -7.651 -7.375
238 3H5M T 89 3H5M T 89 6.962 -6.898 -8.248
239 H6 T 89 H6 T 89 8.922 -6.563 -5.096
240 1H5* A 90 1H5* A 90 6.407 -6.424 0.903
241 2H5* A 90 2H5* A 90 6.380 -7.191 2.426
242 H4* A 90 H4* A 90 4.284 -7.534 1.586
243 H3* A 90 H3* A 90 5.962 -9.829 1.778
244 H1* A 90 H1* A 90 3.358 -9.276 -0.864
245 H8 A 90 H8 A 90 6.788 -9.314 -2.645
246 1H6 A 90 1H6 A 90 3.259 -8.003 -7.429
247 2H6 A 90 2H6 A 90 4.919 -8.523 -7.118
248 H2 A 90 H2 A 90 0.661 -8.515 -4.206
249 1H2* A 90 1H2* A 90 6.303 -9.898 -0.463
250 2H2* A 90 2H2* A 90 4.927 -11.044 -0.375
251 1H5* G 91 1H5* G 91 1.187 -10.443 2.703
252 2H5* G 91 2H5* G 91 1.165 -11.998 3.597
253 H4* G 91 H4* G 91 -1.136 -11.703 2.454
254 H3* G 91 H3* G 91 0.212 -14.068 2.535
255 H1* G 91 H1* G 91 -1.062 -12.766 -0.796
256 H8 G 91 H8 G 91 2.800 -12.182 -0.420
257 H1 G 91 H1 G 91 0.426 -11.669 -6.325
258 1H2 G 91 1H2 G 91 -2.619 -12.090 -4.682
259 2H2 G 91 2H2 G 91 -1.814 -11.894 -6.204
260 1H2* G 91 1H2* G 91 1.227 -13.873 0.628
261 2H2* G 91 2H2* G 91 -0.298 -14.714 0.021
262 1H5* A 92 1H5* A 92 -4.165 -14.038 -0.137
263 2H5* A 92 2H5* A 92 -4.980 -15.200 0.943
264 H4* A 92 H4* A 92 -5.727 -15.513 -1.346
265 H3* A 92 H3* A 92 -4.846 -17.400 0.298
266 H1* A 92 H1* A 92 -3.572 -17.296 -3.450
267 H8 A 92 H8 A 92 -0.971 -16.593 -0.977
268 1H6 A 92 1H6 A 92 2.145 -14.694 -6.008
269 2H6 A 92 2H6 A 92 2.326 -14.877 -4.260
270 H2 A 92 H2 A 92 -1.756 -16.010 -7.234
271 1H2* A 92 1H2* A 92 -2.731 -17.761 -0.651
272 2H2* A 92 2H2* A 92 -3.720 -18.899 -1.762
273 1H5* G 93 1H5* G 93 -7.603 -16.048 -3.127
274 2H5* G 93 2H5* G 93 -9.231 -16.650 -3.401
275 H4* G 93 H4* G 93 -8.219 -16.517 -5.475
276 H3* G 93 H3* G 93 -8.965 -19.105 -4.498
277 H1* G 93 H1* G 93 -6.551 -18.165 -7.123
278 H8 G 93 H8 G 93 -4.991 -19.796 -4.143
279 H1 G 93 H1 G 93 -0.598 -18.653 -8.655
280 1H2 G 93 1H2 G 93 -2.888 -16.972 -10.220
281 2H2 G 93 2H2 G 93 -1.285 -17.492 -10.122
282 1H2* G 93 1H2* G 93 -6.815 -19.777 -4.639
283 2H2* G 93 2H2* G 93 -7.265 -20.358 -6.243
284 1H5* C 94 1H5* C 94 -8.298 -18.487 -8.571
285 2H5* C 94 2H5* C 94 -9.568 -19.277 -9.676
286 H4* C 94 H4* C 94 -7.390 -18.959 -10.755
287 H3* C 94 H3* C 94 -8.639 -21.527 -10.524
288 H1* C 94 H1* C 94 -4.918 -20.436 -10.686
289 1H4 C 94 1H4 C 94 -2.400 -23.371 -5.391
290 2H4 C 94 2H4 C 94 -1.071 -23.116 -6.486
291 H5 C 94 H5 C 94 -4.655 -22.763 -5.744
292 H6 C 94 H6 C 94 -6.179 -21.676 -7.407
293 H3T C 94 H3T C 94 -8.448 -20.775 -12.583
294 1H2* C 94 1H2* C 94 -6.921 -22.497 -9.460
295 2H2* C 94 2H2* C 94 -6.013 -22.454 -11.071
296 1H GLY 1 1H GLY 1 7.726 -6.053 6.354
297 2H GLY 1 2H GLY 1 7.281 -7.167 7.366
298 3H GLY 1 3H GLY 1 6.109 -6.398 6.492
299 1HA GLY 1 1HA GLY 1 6.885 -7.343 4.506
300 2HA GLY 1 2HA GLY 1 8.280 -7.911 5.279
301 HA PRO 2 HA PRO 2 5.684 -11.885 5.314
302 1HB PRO 2 1HB PRO 2 7.670 -13.466 6.103
303 2HB PRO 2 2HB PRO 2 7.746 -12.620 4.507
304 1HG PRO 2 1HG PRO 2 8.945 -11.818 7.152
305 2HG PRO 2 2HG PRO 2 9.742 -12.246 5.620
306 1HD PRO 2 1HD PRO 2 9.149 -9.737 6.304
307 2HD PRO 2 2HD PRO 2 8.822 -10.188 4.564
308 H ARG 3 H ARG 3 4.933 -10.269 7.197
309 HA ARG 3 HA ARG 3 4.260 -12.138 9.468
310 1HB ARG 3 1HB ARG 3 4.315 -10.538 11.005
311 2HB ARG 3 2HB ARG 3 5.806 -10.598 10.148
312 1HG ARG 3 1HG ARG 3 5.067 -8.600 8.854
313 2HG ARG 3 2HG ARG 3 3.578 -8.540 9.662
314 1HD ARG 3 1HD ARG 3 6.281 -8.376 10.912
315 2HD ARG 3 2HD ARG 3 5.141 -7.059 10.613
316 HE ARG 3 HE ARG 3 5.324 -8.569 13.030
317 1HH1 ARG 3 2HH1 ARG 3 2.469 -7.960 10.956
318 2HH1 ARG 3 1HH1 ARG 3 1.490 -7.733 12.315
319 1HH2 ARG 3 2HH2 ARG 3 3.937 -8.579 14.609
320 2HH2 ARG 3 1HH2 ARG 3 2.305 -8.685 14.439
321 H ARG 4 H ARG 4 3.241 -9.950 7.079
322 HA ARG 4 HA ARG 4 0.688 -8.952 8.064
323 1HB ARG 4 1HB ARG 4 0.718 -7.428 6.169
324 2HB ARG 4 2HB ARG 4 2.320 -7.667 6.699
325 1HG ARG 4 1HG ARG 4 2.605 -9.438 4.664
326 2HG ARG 4 2HG ARG 4 0.992 -8.955 4.270
327 1HD ARG 4 1HD ARG 4 3.572 -7.336 4.496
328 2HD ARG 4 2HD ARG 4 2.756 -7.693 2.987
329 HE ARG 4 HE ARG 4 2.680 -5.402 4.177
330 1HH1 ARG 4 2HH1 ARG 4 -0.043 -7.380 3.324
331 2HH1 ARG 4 1HH1 ARG 4 -1.135 -6.418 4.255
332 1HH2 ARG 4 2HH2 ARG 4 1.135 -3.961 5.123
333 2HH2 ARG 4 1HH2 ARG 4 -0.479 -4.177 4.732
334 H THR 5 H THR 5 -1.160 -8.723 6.548
335 HA THR 5 HA THR 5 -1.652 -11.173 4.962
336 HB THR 5 HB THR 5 -2.551 -11.447 7.238
337 HG1 THR 5 HG1 THR 5 -4.449 -12.239 6.776
338 1HG2 THR 5 1HG2 THR 5 -3.300 -9.105 7.758
339 2HG2 THR 5 2HG2 THR 5 -4.776 -10.052 7.868
340 3HG2 THR 5 3HG2 THR 5 -4.412 -9.116 6.401
341 H ARG 6 H ARG 6 -3.491 -11.047 3.384
342 HA ARG 6 HA ARG 6 -3.492 -8.459 2.079
343 1HB ARG 6 1HB ARG 6 -4.068 -9.611 0.200
344 2HB ARG 6 2HB ARG 6 -2.980 -10.724 1.137
345 1HG ARG 6 1HG ARG 6 -5.902 -10.989 0.618
346 2HG ARG 6 2HG ARG 6 -4.498 -12.071 0.023
347 1HD ARG 6 1HD ARG 6 -5.744 -13.307 1.589
348 2HD ARG 6 2HD ARG 6 -4.151 -12.881 2.334
349 HE ARG 6 HE ARG 6 -6.312 -11.082 3.092
350 1HH1 ARG 6 1HH1 ARG 6 -4.994 -14.228 3.782
351 2HH1 ARG 6 2HH1 ARG 6 -6.215 -14.578 4.967
352 1HH2 ARG 6 2HH2 ARG 6 -7.711 -11.345 4.817
353 2HH2 ARG 6 1HH2 ARG 6 -7.944 -13.009 5.277
354 H THR 7 H THR 7 -5.105 -7.607 0.945
355 HA THR 7 HA THR 7 -7.862 -7.806 2.288
356 HB THR 7 HB THR 7 -6.767 -5.421 0.757
357 HG1 THR 7 HG1 THR 7 -5.546 -5.232 2.365
358 1HG2 THR 7 1HG2 THR 7 -9.053 -5.911 2.605
359 2HG2 THR 7 2HG2 THR 7 -9.087 -5.292 0.873
360 3HG2 THR 7 3HG2 THR 7 -8.356 -4.299 2.092
361 H THR 8 H THR 8 -9.636 -8.121 1.071
362 HA THR 8 HA THR 8 -9.482 -8.148 -1.964
363 HB THR 8 HB THR 8 -11.427 -9.773 -0.153
364 HG1 THR 8 HG1 THR 8 -9.463 -10.725 -1.995
365 1HG2 THR 8 1HG2 THR 8 -11.228 -9.207 -3.121
366 2HG2 THR 8 2HG2 THR 8 -12.612 -9.253 -2.040
367 3HG2 THR 8 3HG2 THR 8 -11.880 -10.741 -2.590
368 H PHE 9 H PHE 9 -10.231 -5.973 -2.238
369 HA PHE 9 HA PHE 9 -12.296 -4.947 -0.501
370 1HB PHE 9 1HB PHE 9 -11.702 -4.003 -3.239
371 2HB PHE 9 2HB PHE 9 -12.613 -3.068 -2.089
372 HD1 PHE 9 HD1 PHE 9 -9.066 -4.112 -2.854
373 HD2 PHE 9 HD2 PHE 9 -11.818 -1.955 -0.268
374 HE1 PHE 9 HE1 PHE 9 -7.164 -2.825 -1.802
375 HE2 PHE 9 HE2 PHE 9 -9.820 -0.815 0.835
376 HZ PHE 9 HZ PHE 9 -7.609 -1.275 0.066
377 H THR 10 H THR 10 -14.659 -4.824 -0.854
378 HA THR 10 HA THR 10 -15.615 -6.532 -3.019
379 HB THR 10 HB THR 10 -17.744 -6.488 -1.697
380 HG1 THR 10 HG1 THR 10 -17.782 -5.473 0.125
381 1HG2 THR 10 1HG2 THR 10 -17.065 -7.790 0.348
382 2HG2 THR 10 2HG2 THR 10 -15.510 -7.107 0.300
383 3HG2 THR 10 3HG2 THR 10 -15.998 -8.278 -0.964
384 H SER 11 H SER 11 -17.871 -5.916 -4.121
385 HA SER 11 HA SER 11 -17.870 -3.277 -5.232
386 1HB SER 11 1HB SER 11 -20.080 -5.242 -4.522
387 2HB SER 11 2HB SER 11 -20.411 -4.036 -5.668
388 HG SER 11 HG SER 11 -20.013 -6.054 -6.425
389 H SER 12 H SER 12 -19.619 -4.326 -2.226
390 HA SER 12 HA SER 12 -20.750 -1.902 -1.677
391 1HB SER 12 1HB SER 12 -19.677 -3.925 0.337
392 2HB SER 12 2HB SER 12 -20.598 -2.608 0.774
393 HG SER 12 HG SER 12 -22.205 -4.034 0.402
394 H GLN 13 H GLN 13 -17.484 -3.125 -0.744
395 HA GLN 13 HA GLN 13 -16.671 -0.709 0.801
396 1HB GLN 13 1HB GLN 13 -14.994 -2.921 -0.321
397 2HB GLN 13 2HB GLN 13 -14.361 -1.657 0.735
398 1HG GLN 13 1HG GLN 13 -16.125 -2.204 2.446
399 2HG GLN 13 2HG GLN 13 -16.669 -3.547 1.422
400 1HE2 GLN 13 1HE2 GLN 13 -15.026 -2.955 4.102
401 2HE2 GLN 13 2HE2 GLN 13 -13.436 -3.678 3.862
402 H ILE 14 H ILE 14 -15.854 -1.835 -2.680
403 HA ILE 14 HA ILE 14 -14.577 0.550 -3.371
404 HB ILE 14 HB ILE 14 -16.366 -1.426 -4.846
405 1HG1 ILE 14 1HG1 ILE 14 -13.364 -0.950 -5.222
406 2HG1 ILE 14 2HG1 ILE 14 -13.856 -1.981 -3.882
407 1HG2 ILE 14 1HG2 ILE 14 -16.639 0.628 -6.106
408 2HG2 ILE 14 2HG2 ILE 14 -15.041 0.983 -6.274
409 3HG2 ILE 14 3HG2 ILE 14 -15.437 -0.426 -7.065
410 1HD1 ILE 14 1HD1 ILE 14 -13.300 -3.299 -5.598
411 2HD1 ILE 14 2HD1 ILE 14 -15.093 -3.378 -5.667
412 3HD1 ILE 14 3HD1 ILE 14 -14.149 -2.362 -6.840
413 H ALA 15 H ALA 15 -18.132 0.008 -2.919
414 HA ALA 15 HA ALA 15 -18.910 2.395 -4.106
415 1HB ALA 15 1HB ALA 15 -21.084 1.920 -3.230
416 2HB ALA 15 2HB ALA 15 -20.286 0.403 -3.756
417 3HB ALA 15 3HB ALA 15 -20.393 0.773 -2.073
418 H GLU 16 H GLU 16 -18.160 1.659 -0.678
419 HA GLU 16 HA GLU 16 -18.807 4.297 0.423
420 1HB GLU 16 1HB GLU 16 -17.216 1.796 1.038
421 2HB GLU 16 2HB GLU 16 -16.669 3.217 1.855
422 1HG GLU 16 1HG GLU 16 -19.226 1.647 2.254
423 2HG GLU 16 2HG GLU 16 -17.829 2.046 3.365
424 H LEU 17 H LEU 17 -15.826 2.678 -0.744
425 HA LEU 17 HA LEU 17 -14.065 4.565 -0.272
426 1HB LEU 17 1HB LEU 17 -14.153 2.370 -2.173
427 2HB LEU 17 2HB LEU 17 -12.771 3.571 -2.279
428 HG LEU 17 HG LEU 17 -13.721 2.459 0.345
429 1HD1 LEU 17 1HD1 LEU 17 -13.127 0.440 -0.683
430 2HD1 LEU 17 2HD1 LEU 17 -11.784 0.813 0.351
431 3HD1 LEU 17 3HD1 LEU 17 -11.622 1.278 -1.313
432 1HD2 LEU 17 1HD2 LEU 17 -10.959 3.518 -0.481
433 2HD2 LEU 17 2HD2 LEU 17 -11.559 3.139 1.289
434 3HD2 LEU 17 3HD2 LEU 17 -12.154 4.456 0.323
435 H GLU 18 H GLU 18 -15.897 4.055 -3.325
436 HA GLU 18 HA GLU 18 -15.366 6.533 -4.716
437 1HB GLU 18 1HB GLU 18 -17.610 4.479 -4.433
438 2HB GLU 18 2HB GLU 18 -17.774 5.898 -5.578
439 1HG GLU 18 1HG GLU 18 -15.474 3.889 -5.728
440 2HG GLU 18 2HG GLU 18 -17.135 3.508 -6.413
441 H GLN 19 H GLN 19 -18.265 5.801 -2.682
442 HA GLN 19 HA GLN 19 -19.276 8.244 -3.236
443 1HB GLN 19 1HB GLN 19 -19.939 6.091 -1.522
444 2HB GLN 19 2HB GLN 19 -19.940 7.482 -0.409
445 1HG GLN 19 1HG GLN 19 -21.513 7.322 -2.927
446 2HG GLN 19 2HG GLN 19 -22.041 6.847 -1.308
447 1HE2 GLN 19 1HE2 GLN 19 -22.404 9.209 -3.592
448 2HE2 GLN 19 2HE2 GLN 19 -22.577 10.655 -2.519
449 H HIS 20 H HIS 20 -17.177 7.546 -0.278
450 HA HIS 20 HA HIS 20 -17.100 10.381 0.432
451 1HB HIS 20 1HB HIS 20 -15.532 8.061 1.581
452 2HB HIS 20 2HB HIS 20 -15.599 9.680 2.165
453 HD1 HIS 20 HD1 HIS 20 -18.460 10.400 2.645
454 HD2 HIS 20 HD2 HIS 20 -17.380 6.392 2.328
455 HE1 HIS 20 HE1 HIS 20 -20.166 9.130 4.005
456 H PHE 21 H PHE 21 -14.896 8.363 -1.638
457 HA PHE 21 HA PHE 21 -12.966 10.452 -2.149
458 1HB PHE 21 1HB PHE 21 -12.740 8.379 -3.366
459 2HB PHE 21 2HB PHE 21 -14.459 8.339 -3.763
460 HD1 PHE 21 HD1 PHE 21 -15.420 9.348 -5.733
461 HD2 PHE 21 HD2 PHE 21 -11.355 9.917 -4.699
462 HE1 PHE 21 HE1 PHE 21 -15.081 10.245 -7.936
463 HE2 PHE 21 HE2 PHE 21 -10.909 10.534 -7.038
464 HZ PHE 21 HZ PHE 21 -12.673 10.576 -8.736
465 H LEU 22 H LEU 22 -16.434 10.414 -3.227
466 HA LEU 22 HA LEU 22 -16.396 12.513 -4.935
467 1HB LEU 22 1HB LEU 22 -18.694 12.258 -3.080
468 2HB LEU 22 2HB LEU 22 -18.482 13.157 -4.500
469 HG LEU 22 HG LEU 22 -18.424 10.001 -4.327
470 1HD1 LEU 22 1HD1 LEU 22 -20.736 11.276 -4.052
471 2HD1 LEU 22 2HD1 LEU 22 -20.599 10.135 -5.435
472 3HD1 LEU 22 3HD1 LEU 22 -20.501 11.891 -5.655
473 1HD2 LEU 22 1HD2 LEU 22 -18.086 11.925 -6.666
474 2HD2 LEU 22 2HD2 LEU 22 -18.687 10.248 -6.906
475 3HD2 LEU 22 3HD2 LEU 22 -17.082 10.556 -6.225
476 H GLN 23 H GLN 23 -15.931 12.622 -1.516
477 HA GLN 23 HA GLN 23 -16.168 15.660 -1.192
478 1HB GLN 23 1HB GLN 23 -15.388 13.558 0.865
479 2HB GLN 23 2HB GLN 23 -15.889 15.208 1.029
480 1HG GLN 23 1HG GLN 23 -17.379 12.922 -0.085
481 2HG GLN 23 2HG GLN 23 -17.772 13.399 1.585
482 1HE2 GLN 23 1HE2 GLN 23 -19.520 13.137 -0.661
483 2HE2 GLN 23 2HE2 GLN 23 -20.127 14.744 -1.043
484 H GLY 24 H GLY 24 -13.579 13.282 -1.912
485 1HA GLY 24 1HA GLY 24 -11.543 15.433 -1.903
486 2HA GLY 24 2HA GLY 24 -11.470 14.141 -0.678
487 H ARG 25 H ARG 25 -11.052 14.831 -4.196
488 HA ARG 25 HA ARG 25 -11.127 12.250 -5.164
489 1HB ARG 25 1HB ARG 25 -10.464 14.990 -5.928
490 2HB ARG 25 2HB ARG 25 -9.545 13.739 -6.799
491 1HG ARG 25 1HG ARG 25 -11.593 14.692 -7.929
492 2HG ARG 25 2HG ARG 25 -11.483 12.864 -7.844
493 1HD ARG 25 1HD ARG 25 -12.867 13.141 -5.734
494 2HD ARG 25 2HD ARG 25 -13.069 14.871 -6.147
495 HE ARG 25 HE ARG 25 -13.745 12.932 -8.337
496 1HH1 ARG 25 2HH1 ARG 25 -14.697 15.688 -6.278
497 2HH1 ARG 25 1HH1 ARG 25 -16.253 15.720 -6.901
498 1HH2 ARG 25 2HH2 ARG 25 -15.547 13.522 -9.407
499 2HH2 ARG 25 1HH2 ARG 25 -16.779 14.549 -8.844
500 H TYR 26 H TYR 26 -8.522 13.629 -3.461
501 HA TYR 26 HA TYR 26 -6.604 11.536 -4.372
502 1HB TYR 26 1HB TYR 26 -5.763 14.313 -3.571
503 2HB TYR 26 2HB TYR 26 -4.909 13.054 -4.328
504 HD1 TYR 26 HD1 TYR 26 -4.441 12.972 -6.589
505 HD2 TYR 26 HD2 TYR 26 -7.891 15.221 -5.224
506 HE1 TYR 26 HE1 TYR 26 -4.622 14.115 -8.770
507 HE2 TYR 26 HE2 TYR 26 -8.020 16.347 -7.395
508 HH TYR 26 HH TYR 26 -7.404 16.441 -9.421
509 H LEU 27 H LEU 27 -8.376 11.616 -2.044
510 HA LEU 27 HA LEU 27 -8.680 11.395 0.078
511 1HB LEU 27 1HB LEU 27 -6.141 10.210 -0.705
512 2HB LEU 27 2HB LEU 27 -5.941 10.717 0.872
513 HG LEU 27 HG LEU 27 -7.737 8.455 0.004
514 1HD1 LEU 27 1HD1 LEU 27 -6.221 8.533 2.587
515 2HD1 LEU 27 2HD1 LEU 27 -5.389 8.309 0.925
516 3HD1 LEU 27 3HD1 LEU 27 -6.566 7.165 1.477
517 1HD2 LEU 27 1HD2 LEU 27 -9.311 9.594 1.143
518 2HD2 LEU 27 2HD2 LEU 27 -8.133 9.946 2.557
519 3HD2 LEU 27 3HD2 LEU 27 -8.657 8.275 2.228
520 H THR 28 H THR 28 -8.281 11.906 2.243
521 HA THR 28 HA THR 28 -6.070 13.770 2.890
522 HB THR 28 HB THR 28 -7.509 15.222 4.172
523 HG1 THR 28 HG1 THR 28 -9.737 14.760 3.813
524 1HG2 THR 28 1HG2 THR 28 -9.131 14.851 1.766
525 2HG2 THR 28 2HG2 THR 28 -7.521 15.734 1.817
526 3HG2 THR 28 3HG2 THR 28 -9.007 16.301 2.666
527 H ALA 29 H ALA 29 -5.504 13.611 5.146
528 HA ALA 29 HA ALA 29 -5.801 11.154 6.698
529 1HB ALA 29 1HB ALA 29 -4.345 13.246 7.029
530 2HB ALA 29 2HB ALA 29 -5.579 13.883 8.041
531 3HB ALA 29 3HB ALA 29 -4.869 12.267 8.403
532 HA PRO 30 HA PRO 30 -9.967 12.816 8.557
533 1HB PRO 30 1HB PRO 30 -11.189 14.298 6.429
534 2HB PRO 30 2HB PRO 30 -11.028 14.656 8.199
535 1HG PRO 30 1HG PRO 30 -9.504 15.683 5.908
536 2HG PRO 30 2HG PRO 30 -9.168 16.023 7.654
537 1HD PRO 30 1HD PRO 30 -7.582 14.633 5.953
538 2HD PRO 30 2HD PRO 30 -7.420 14.845 7.650
539 H ARG 31 H ARG 31 -9.843 12.499 4.936
540 HA ARG 31 HA ARG 31 -12.135 10.801 4.858
541 1HB ARG 31 1HB ARG 31 -9.882 11.265 2.880
542 2HB ARG 31 2HB ARG 31 -11.165 10.029 2.542
543 1HG ARG 31 1HG ARG 31 -11.005 12.644 1.891
544 2HG ARG 31 2HG ARG 31 -12.348 11.399 1.608
545 1HD ARG 31 1HD ARG 31 -12.317 13.182 4.112
546 2HD ARG 31 2HD ARG 31 -13.119 13.687 2.586
547 HE ARG 31 HE ARG 31 -13.906 11.073 3.606
548 1HH1 ARG 31 2HH1 ARG 31 -14.824 14.515 3.321
549 2HH1 ARG 31 1HH1 ARG 31 -16.355 14.057 3.968
550 1HH2 ARG 31 2HH2 ARG 31 -15.977 10.755 4.461
551 2HH2 ARG 31 1HH2 ARG 31 -16.982 12.095 4.606
552 H LEU 32 H LEU 32 -8.636 10.039 4.789
553 HA LEU 32 HA LEU 32 -8.654 7.299 4.468
554 1HB LEU 32 1HB LEU 32 -6.676 8.951 4.543
555 2HB LEU 32 2HB LEU 32 -6.783 9.103 6.243
556 HG LEU 32 HG LEU 32 -6.466 6.211 6.002
557 1HD1 LEU 32 1HD1 LEU 32 -4.914 7.778 3.924
558 2HD1 LEU 32 2HD1 LEU 32 -5.916 6.426 3.525
559 3HD1 LEU 32 3HD1 LEU 32 -4.524 6.068 4.493
560 1HD2 LEU 32 1HD2 LEU 32 -4.180 6.580 6.568
561 2HD2 LEU 32 2HD2 LEU 32 -5.264 7.632 7.531
562 3HD2 LEU 32 3HD2 LEU 32 -4.336 8.249 6.185
563 H ALA 33 H ALA 33 -8.789 9.037 7.760
564 HA ALA 33 HA ALA 33 -9.362 6.683 9.226
565 1HB ALA 33 1HB ALA 33 -10.010 8.460 10.970
566 2HB ALA 33 2HB ALA 33 -8.404 8.732 10.219
567 3HB ALA 33 3HB ALA 33 -9.740 9.660 9.708
568 H ASP 34 H ASP 34 -11.594 9.026 7.622
569 HA ASP 34 HA ASP 34 -14.042 8.201 8.901
570 1HB ASP 34 1HB ASP 34 -13.939 10.383 7.941
571 2HB ASP 34 2HB ASP 34 -13.274 9.775 6.431
572 H LEU 35 H LEU 35 -12.603 7.448 5.628
573 HA LEU 35 HA LEU 35 -14.515 5.334 5.232
574 1HB LEU 35 1HB LEU 35 -11.950 6.295 3.816
575 2HB LEU 35 2HB LEU 35 -12.224 4.570 3.776
576 HG LEU 35 HG LEU 35 -13.437 4.850 1.944
577 1HD1 LEU 35 1HD1 LEU 35 -15.395 6.607 3.333
578 2HD1 LEU 35 2HD1 LEU 35 -15.409 4.852 3.313
579 3HD1 LEU 35 3HD1 LEU 35 -15.517 5.671 1.750
580 1HD2 LEU 35 1HD2 LEU 35 -12.058 6.728 1.366
581 2HD2 LEU 35 2HD2 LEU 35 -13.017 7.710 2.442
582 3HD2 LEU 35 3HD2 LEU 35 -13.720 7.060 0.869
583 H SER 36 H SER 36 -11.193 5.077 6.615
584 HA SER 36 HA SER 36 -11.250 2.398 6.838
585 1HB SER 36 1HB SER 36 -9.658 2.399 8.448
586 2HB SER 36 2HB SER 36 -9.432 3.899 7.468
587 HG SER 36 HG SER 36 -10.866 4.884 9.132
588 H ALA 37 H ALA 37 -12.806 4.559 9.224
589 HA ALA 37 HA ALA 37 -13.747 2.549 10.986
590 1HB ALA 37 1HB ALA 37 -14.956 5.177 10.299
591 2HB ALA 37 2HB ALA 37 -15.270 4.202 11.785
592 3HB ALA 37 3HB ALA 37 -13.700 4.971 11.431
593 H LYS 38 H LYS 38 -15.276 3.915 8.051
594 HA LYS 38 HA LYS 38 -17.736 2.425 8.508
595 1HB LYS 38 1HB LYS 38 -16.900 4.556 6.428
596 2HB LYS 38 2HB LYS 38 -18.392 3.688 6.375
597 1HG LYS 38 1HG LYS 38 -18.904 4.402 8.590
598 2HG LYS 38 2HG LYS 38 -17.462 5.480 8.677
599 1HD LYS 38 1HD LYS 38 -19.681 5.723 6.635
600 2HD LYS 38 2HD LYS 38 -19.705 6.534 8.097
601 1HE LYS 38 1HE LYS 38 -18.894 8.038 6.547
602 2HE LYS 38 2HE LYS 38 -17.556 7.606 7.541
603 1HZ LYS 38 1HZ LYS 38 -16.687 6.336 5.881
604 2HZ LYS 38 2HZ LYS 38 -17.304 7.645 4.980
605 3HZ LYS 38 3HZ LYS 38 -18.142 6.307 5.027
606 H LEU 39 H LEU 39 -15.230 2.413 5.755
607 HA LEU 39 HA LEU 39 -16.403 0.230 4.438
608 1HB LEU 39 1HB LEU 39 -13.500 0.789 5.015
609 2HB LEU 39 2HB LEU 39 -14.011 -0.434 3.840
610 HG LEU 39 HG LEU 39 -14.938 2.510 3.599
611 1HD1 LEU 39 1HD1 LEU 39 -13.002 2.965 2.476
612 2HD1 LEU 39 2HD1 LEU 39 -12.291 1.391 2.798
613 3HD1 LEU 39 3HD1 LEU 39 -12.562 2.471 4.159
614 1HD2 LEU 39 1HD2 LEU 39 -14.078 0.369 1.555
615 2HD2 LEU 39 2HD2 LEU 39 -15.195 1.758 1.269
616 3HD2 LEU 39 3HD2 LEU 39 -15.739 0.455 2.231
617 H ALA 40 H ALA 40 -14.923 0.365 7.615
618 HA ALA 40 HA ALA 40 -14.258 -1.081 9.156
619 1HB ALA 40 1HB ALA 40 -16.548 -2.192 8.412
620 2HB ALA 40 2HB ALA 40 -15.411 -3.473 7.777
621 3HB ALA 40 3HB ALA 40 -15.453 -3.090 9.437
622 H LEU 41 H LEU 41 -12.322 -0.383 7.860
623 HA LEU 41 HA LEU 41 -10.497 -2.550 6.958
624 1HB LEU 41 1HB LEU 41 -10.962 -0.075 5.447
625 2HB LEU 41 2HB LEU 41 -9.630 -1.278 5.248
626 HG LEU 41 HG LEU 41 -12.514 -1.871 4.805
627 1HD1 LEU 41 1HD1 LEU 41 -11.033 -0.463 3.105
628 2HD1 LEU 41 2HD1 LEU 41 -12.319 -1.549 2.638
629 3HD1 LEU 41 3HD1 LEU 41 -10.646 -2.131 2.560
630 1HD2 LEU 41 1HD2 LEU 41 -9.967 -3.426 4.651
631 2HD2 LEU 41 2HD2 LEU 41 -11.431 -4.046 3.820
632 3HD2 LEU 41 3HD2 LEU 41 -11.560 -3.853 5.508
633 H GLY 42 H GLY 42 -8.401 -1.722 6.637
634 1HA GLY 42 1HA GLY 42 -7.472 -0.185 9.029
635 2HA GLY 42 2HA GLY 42 -6.408 -0.896 7.800
636 H THR 43 H THR 43 -6.137 1.742 8.782
637 HA THR 43 HA THR 43 -7.200 3.683 6.962
638 HB THR 43 HB THR 43 -5.270 5.066 7.912
639 HG1 THR 43 HG1 THR 43 -4.046 4.120 9.599
640 1HG2 THR 43 1HG2 THR 43 -7.493 5.128 8.816
641 2HG2 THR 43 2HG2 THR 43 -6.139 5.271 10.035
642 3HG2 THR 43 3HG2 THR 43 -7.066 3.757 9.865
643 H ALA 44 H ALA 44 -4.372 1.726 6.745
644 HA ALA 44 HA ALA 44 -3.129 3.143 4.575
645 1HB ALA 44 1HB ALA 44 -1.715 1.067 4.446
646 2HB ALA 44 2HB ALA 44 -1.991 1.529 6.105
647 3HB ALA 44 3HB ALA 44 -3.009 0.258 5.435
648 H GLN 45 H GLN 45 -5.433 0.443 4.662
649 HA GLN 45 HA GLN 45 -5.596 -0.185 1.838
650 1HB GLN 45 1HB GLN 45 -7.728 -0.413 3.956
651 2HB GLN 45 2HB GLN 45 -8.050 -0.768 2.315
652 1HG GLN 45 1HG GLN 45 -7.549 -2.837 3.464
653 2HG GLN 45 2HG GLN 45 -6.056 -2.389 2.540
654 1HE2 GLN 45 1HE2 GLN 45 -7.245 -3.337 5.689
655 2HE2 GLN 45 2HE2 GLN 45 -5.573 -3.074 6.357
656 H VAL 46 H VAL 46 -6.898 2.663 3.497
657 HA VAL 46 HA VAL 46 -8.743 3.357 1.346
658 HB VAL 46 HB VAL 46 -7.669 5.310 3.318
659 1HG1 VAL 46 1HG1 VAL 46 -10.174 5.018 1.675
660 2HG1 VAL 46 2HG1 VAL 46 -10.024 6.184 2.928
661 3HG1 VAL 46 3HG1 VAL 46 -8.890 6.229 1.526
662 1HG2 VAL 46 1HG2 VAL 46 -9.777 4.699 4.619
663 2HG2 VAL 46 2HG2 VAL 46 -9.764 3.173 3.615
664 3HG2 VAL 46 3HG2 VAL 46 -8.545 3.560 4.874
665 H LYS 47 H LYS 47 -5.531 4.788 2.533
666 HA LYS 47 HA LYS 47 -4.837 6.393 0.247
667 1HB LYS 47 1HB LYS 47 -3.511 4.940 2.528
668 2HB LYS 47 2HB LYS 47 -2.475 5.045 1.163
669 1HG LYS 47 1HG LYS 47 -2.214 7.331 1.285
670 2HG LYS 47 2HG LYS 47 -3.802 7.574 2.052
671 1HD LYS 47 1HD LYS 47 -1.304 7.663 3.070
672 2HD LYS 47 2HD LYS 47 -2.804 7.742 3.912
673 1HE LYS 47 1HE LYS 47 -2.722 5.467 4.752
674 2HE LYS 47 2HE LYS 47 -1.830 4.877 3.525
675 1HZ LYS 47 1HZ LYS 47 -0.641 5.140 5.659
676 2HZ LYS 47 2HZ LYS 47 -0.832 6.768 5.671
677 3HZ LYS 47 3HZ LYS 47 0.134 6.162 4.556
678 H ILE 48 H ILE 48 -4.134 2.899 0.682
679 HA ILE 48 HA ILE 48 -2.846 2.666 -1.932
680 HB ILE 48 HB ILE 48 -3.715 0.768 0.192
681 1HG1 ILE 48 1HG1 ILE 48 -0.829 1.461 -0.935
682 2HG1 ILE 48 2HG1 ILE 48 -1.518 2.503 0.253
683 1HG2 ILE 48 1HG2 ILE 48 -3.591 -0.860 -1.823
684 2HG2 ILE 48 2HG2 ILE 48 -2.145 0.146 -2.369
685 3HG2 ILE 48 3HG2 ILE 48 -2.031 -0.902 -1.060
686 1HD1 ILE 48 1HD1 ILE 48 0.010 0.924 1.381
687 2HD1 ILE 48 2HD1 ILE 48 -1.493 0.822 2.083
688 3HD1 ILE 48 3HD1 ILE 48 -1.088 -0.410 0.955
689 H TRP 49 H TRP 49 -6.135 2.241 -0.904
690 HA TRP 49 HA TRP 49 -6.992 1.129 -3.497
691 1HB TRP 49 1HB TRP 49 -8.485 1.259 -1.517
692 2HB TRP 49 2HB TRP 49 -8.504 2.996 -1.639
693 HD1 TRP 49 HD1 TRP 49 -9.354 0.287 -3.986
694 HE1 TRP 49 HE1 TRP 49 -11.426 0.924 -5.481
695 HE3 TRP 49 HE3 TRP 49 -10.041 4.805 -2.195
696 HZ2 TRP 49 HZ2 TRP 49 -13.201 3.093 -5.599
697 HZ3 TRP 49 HZ3 TRP 49 -11.822 6.342 -3.148
698 HH2 TRP 49 HH2 TRP 49 -13.369 5.448 -5.024
699 H PHE 50 H PHE 50 -6.942 4.458 -2.274
700 HA PHE 50 HA PHE 50 -7.719 5.616 -4.647
701 1HB PHE 50 1HB PHE 50 -6.234 6.567 -2.220
702 2HB PHE 50 2HB PHE 50 -6.204 7.614 -3.596
703 HD1 PHE 50 HD1 PHE 50 -7.829 9.062 -4.055
704 HD2 PHE 50 HD2 PHE 50 -8.546 6.003 -1.197
705 HE1 PHE 50 HE1 PHE 50 -9.805 10.182 -3.349
706 HE2 PHE 50 HE2 PHE 50 -10.683 6.888 -0.539
707 HZ PHE 50 HZ PHE 50 -11.175 9.297 -1.440
708 H LYS 51 H LYS 51 -4.381 5.097 -3.562
709 HA LYS 51 HA LYS 51 -3.180 5.919 -5.960
710 1HB LYS 51 1HB LYS 51 -2.145 3.588 -4.187
711 2HB LYS 51 2HB LYS 51 -1.196 4.332 -5.359
712 1HG LYS 51 1HG LYS 51 -1.872 6.550 -3.965
713 2HG LYS 51 2HG LYS 51 -1.926 5.243 -2.734
714 1HD LYS 51 1HD LYS 51 0.266 5.834 -4.530
715 2HD LYS 51 2HD LYS 51 0.244 6.176 -2.834
716 1HE LYS 51 1HE LYS 51 0.233 3.673 -2.363
717 2HE LYS 51 2HE LYS 51 0.690 3.419 -4.076
718 1HZ LYS 51 1HZ LYS 51 2.491 4.884 -3.810
719 2HZ LYS 51 2HZ LYS 51 2.696 3.549 -2.996
720 3HZ LYS 51 3HZ LYS 51 2.356 4.944 -2.217
721 H ASN 52 H ASN 52 -4.223 2.686 -5.271
722 HA ASN 52 HA ASN 52 -3.501 1.591 -7.791
723 1HB ASN 52 1HB ASN 52 -5.650 0.765 -5.725
724 2HB ASN 52 2HB ASN 52 -5.486 -0.098 -7.209
725 1HD2 ASN 52 1HD2 ASN 52 -4.954 -1.771 -5.254
726 2HD2 ASN 52 2HD2 ASN 52 -3.287 -1.745 -4.678
727 H ARG 53 H ARG 53 -6.613 2.974 -6.763
728 HA ARG 53 HA ARG 53 -8.067 2.830 -9.089
729 1HB ARG 53 1HB ARG 53 -8.936 3.583 -6.936
730 2HB ARG 53 2HB ARG 53 -7.880 5.020 -7.041
731 1HG ARG 53 1HG ARG 53 -9.115 5.788 -9.011
732 2HG ARG 53 2HG ARG 53 -10.203 4.445 -8.979
733 1HD ARG 53 1HD ARG 53 -10.831 5.131 -6.687
734 2HD ARG 53 2HD ARG 53 -9.670 6.542 -6.904
735 HE ARG 53 HE ARG 53 -11.355 7.628 -7.952
736 1HH1 ARG 53 2HH2 ARG 53 -12.494 4.234 -8.296
737 2HH1 ARG 53 1HH2 ARG 53 -14.167 4.819 -8.448
738 1HH2 ARG 53 2HH1 ARG 53 -13.377 8.059 -7.992
739 2HH2 ARG 53 1HH1 ARG 53 -14.635 6.991 -8.143
740 H ARG 54 H ARG 54 -5.790 5.635 -8.244
741 HA ARG 54 HA ARG 54 -6.444 6.876 -10.734
742 1HB ARG 54 1HB ARG 54 -5.283 8.635 -10.079
743 2HB ARG 54 2HB ARG 54 -5.952 7.930 -8.634
744 1HG ARG 54 1HG ARG 54 -3.539 6.718 -8.410
745 2HG ARG 54 2HG ARG 54 -3.023 8.144 -9.137
746 1HD ARG 54 1HD ARG 54 -4.346 7.843 -6.384
747 2HD ARG 54 2HD ARG 54 -2.923 8.728 -6.708
748 HE ARG 54 HE ARG 54 -4.059 10.506 -7.961
749 1HH1 ARG 54 2HH1 ARG 54 -5.969 8.758 -5.727
750 2HH1 ARG 54 1HH1 ARG 54 -7.460 9.637 -6.166
751 1HH2 ARG 54 2HH2 ARG 54 -5.847 11.451 -8.465
752 2HH2 ARG 54 1HH2 ARG 54 -7.297 11.296 -7.455
753 H ARG 55 H ARG 55 -3.493 4.981 -9.772
754 HA ARG 55 HA ARG 55 -2.392 4.989 -12.412
755 1HB ARG 55 1HB ARG 55 -2.478 2.848 -10.234
756 2HB ARG 55 2HB ARG 55 -1.535 2.690 -11.785
757 1HG ARG 55 1HG ARG 55 -0.965 4.576 -9.460
758 2HG ARG 55 2HG ARG 55 -0.157 3.039 -10.037
759 1HD ARG 55 1HD ARG 55 -0.198 5.735 -11.430
760 2HD ARG 55 2HD ARG 55 1.076 5.230 -10.487
761 HE ARG 55 HE ARG 55 0.730 4.311 -13.135
762 1HH1 ARG 55 2HH1 ARG 55 2.186 3.440 -10.050
763 2HH1 ARG 55 1HH1 ARG 55 3.388 2.513 -10.944
764 1HH2 ARG 55 2HH2 ARG 55 1.986 2.919 -13.905
765 2HH2 ARG 55 1HH2 ARG 55 3.267 2.088 -13.055
766 H ARG 56 H ARG 56 -4.976 2.593 -11.088
767 HA ARG 56 HA ARG 56 -4.727 1.262 -13.574
768 1HB ARG 56 1HB ARG 56 -5.747 0.302 -11.451
769 2HB ARG 56 2HB ARG 56 -7.165 1.232 -11.629
770 1HG ARG 56 1HG ARG 56 -7.750 0.243 -13.664
771 2HG ARG 56 2HG ARG 56 -6.113 -0.719 -13.682
772 1HD ARG 56 1HD ARG 56 -8.591 -0.841 -11.787
773 2HD ARG 56 2HD ARG 56 -8.094 -2.124 -12.921
774 HE ARG 56 HE ARG 56 -6.214 -2.731 -11.629
775 1HH1 ARG 56 2HH1 ARG 56 -7.806 -0.222 -9.874
776 2HH1 ARG 56 1HH1 ARG 56 -7.567 -0.910 -8.313
777 1HH2 ARG 56 1HH2 ARG 56 -5.800 -3.586 -9.635
778 2HH2 ARG 56 2HH2 ARG 56 -6.059 -2.669 -8.198
779 H HIS 57 H HIS 57 -7.077 3.763 -12.578
780 HA HIS 57 HA HIS 57 -8.573 3.913 -14.671
781 1HB HIS 57 1HB HIS 57 -8.711 5.398 -12.518
782 2HB HIS 57 2HB HIS 57 -7.434 6.349 -13.002
783 HD1 HIS 57 HD1 HIS 57 -10.949 5.457 -14.434
784 HD2 HIS 57 HD2 HIS 57 -8.004 8.532 -14.426
785 HE1 HIS 57 HE1 HIS 57 -11.975 7.460 -15.477
786 H LYS 58 H LYS 58 -5.337 5.607 -14.207
787 HA LYS 58 HA LYS 58 -5.563 7.277 -16.577
788 1HB LYS 58 1HB LYS 58 -3.517 8.239 -16.049
789 2HB LYS 58 2HB LYS 58 -4.318 7.950 -14.652
790 1HG LYS 58 1HG LYS 58 -2.650 5.745 -14.434
791 2HG LYS 58 2HG LYS 58 -1.867 6.356 -15.802
792 1HD LYS 58 1HD LYS 58 -0.782 7.190 -13.946
793 2HD LYS 58 2HD LYS 58 -1.612 8.585 -14.785
794 1HE LYS 58 1HE LYS 58 -3.297 8.088 -12.791
795 2HE LYS 58 2HE LYS 58 -1.997 7.151 -12.100
796 1HZ LYS 58 1HZ LYS 58 -1.706 9.493 -11.383
797 2HZ LYS 58 2HZ LYS 58 -1.906 10.049 -12.917
798 3HZ LYS 58 3HZ LYS 58 -0.598 9.225 -12.310
799 H ILE 59 H ILE 59 -3.869 4.188 -15.782
800 HA ILE 59 HA ILE 59 -2.640 3.584 -18.236
801 HB ILE 59 HB ILE 59 -3.901 2.029 -15.988
802 1HG1 ILE 59 1HG1 ILE 59 -1.038 1.930 -17.000
803 2HG1 ILE 59 2HG1 ILE 59 -1.548 3.323 -16.022
804 1HG2 ILE 59 1HG2 ILE 59 -4.237 0.336 -17.548
805 2HG2 ILE 59 2HG2 ILE 59 -2.720 0.758 -18.395
806 3HG2 ILE 59 3HG2 ILE 59 -2.712 0.039 -16.708
807 1HD1 ILE 59 1HD1 ILE 59 -0.759 0.644 -15.178
808 2HD1 ILE 59 2HD1 ILE 59 -0.693 2.208 -14.329
809 3HD1 ILE 59 3HD1 ILE 59 -2.264 1.432 -14.452
810 H GLN 60 H GLN 60 -6.036 2.962 -17.280
811 HA GLN 60 HA GLN 60 -6.683 1.483 -19.668
812 1HB GLN 60 1HB GLN 60 -8.423 2.502 -17.432
813 2HB GLN 60 2HB GLN 60 -8.979 1.685 -18.846
814 1HG GLN 60 1HG GLN 60 -7.661 -0.335 -18.298
815 2HG GLN 60 2HG GLN 60 -6.732 0.667 -17.117
816 1HE2 GLN 60 1HE2 GLN 60 -7.665 -1.971 -16.415
817 2HE2 GLN 60 2HE2 GLN 60 -9.144 -1.755 -15.453
818 H SER 61 H SER 61 -6.979 4.602 -18.679
819 HA SER 61 HA SER 61 -8.450 6.041 -20.770
820 1HB SER 61 1HB SER 61 -6.280 7.249 -18.921
821 2HB SER 61 2HB SER 61 -7.313 8.054 -20.038
822 HG SER 61 HG SER 61 -8.099 6.398 -17.829
823 H ASP 62 H ASP 62 -4.992 5.317 -20.361
824 HA ASP 62 HA ASP 62 -4.127 6.196 -22.991
825 1HB ASP 62 1HB ASP 62 -2.624 5.974 -21.011
826 2HB ASP 62 2HB ASP 62 -2.863 4.250 -20.992
827 H GLN 63 H GLN 63 -6.198 3.608 -22.290
828 HA GLN 63 HA GLN 63 -5.271 2.222 -24.817
829 1HB GLN 63 1HB GLN 63 -6.679 1.218 -22.369
830 2HB GLN 63 2HB GLN 63 -6.428 0.223 -23.851
831 1HG GLN 63 1HG GLN 63 -4.017 0.294 -23.182
832 2HG GLN 63 2HG GLN 63 -4.355 1.449 -21.945
833 1HE2 GLN 63 2HE2 GLN 63 -3.552 0.351 -20.300
834 2HE2 GLN 63 1HE2 GLN 63 -4.144 -1.152 -19.685
835 H HIS 64 H HIS 64 -7.697 4.286 -23.669
836 HA HIS 64 HA HIS 64 -9.214 3.579 -26.050
837 1HB HIS 64 1HB HIS 64 -11.130 2.886 -25.246
838 2HB HIS 64 2HB HIS 64 -10.152 1.953 -24.290
839 HD1 HIS 64 HD1 HIS 64 -9.438 3.018 -21.782
840 HD2 HIS 64 HD2 HIS 64 -12.726 4.633 -23.771
841 HE1 HIS 64 HE1 HIS 64 -10.804 4.529 -20.080
842 H LYS 65 H LYS 65 -7.893 6.098 -24.614
843 HA LYS 65 HA LYS 65 -9.878 8.128 -25.633
844 1HB LYS 65 1HB LYS 65 -8.682 8.238 -22.844
845 2HB LYS 65 2HB LYS 65 -9.636 9.414 -23.640
846 1HG LYS 65 1HG LYS 65 -11.634 7.762 -23.619
847 2HG LYS 65 2HG LYS 65 -10.645 6.720 -22.689
848 1HD LYS 65 1HD LYS 65 -11.321 9.525 -21.668
849 2HD LYS 65 2HD LYS 65 -12.334 8.157 -21.403
850 1HE LYS 65 1HE LYS 65 -10.457 6.854 -20.395
851 2HE LYS 65 2HE LYS 65 -9.375 8.236 -20.434
852 1HZ LYS 65 1HZ LYS 65 -11.693 7.935 -18.789
853 2HZ LYS 65 2HZ LYS 65 -11.234 9.411 -19.153
854 3HZ LYS 65 3HZ LYS 65 -10.216 8.309 -18.351
855 H ASP 66 H ASP 66 -6.709 7.113 -25.762
856 HA ASP 66 HA ASP 66 -5.511 9.802 -26.354
857 1HB ASP 66 1HB ASP 66 -5.457 9.063 -23.750
858 2HB ASP 66 2HB ASP 66 -4.264 7.947 -24.311
859 H GLN 67 H GLN 67 -6.025 7.401 -27.873
860 HA GLN 67 HA GLN 67 -3.265 6.772 -28.803
861 1HB GLN 67 1HB GLN 67 -3.140 4.547 -28.221
862 2HB GLN 67 2HB GLN 67 -3.710 5.379 -26.694
863 1HG GLN 67 1HG GLN 67 -5.430 3.535 -28.608
864 2HG GLN 67 2HG GLN 67 -4.857 3.287 -26.960
865 1HE2 GLN 67 1HE2 GLN 67 -7.497 4.381 -28.912
866 2HE2 GLN 67 2HE2 GLN 67 -8.265 5.278 -27.684
867 H SER 68 H SER 68 -6.361 7.286 -29.841
868 HA SER 68 HA SER 68 -5.965 5.844 -32.485
869 1HB SER 68 1HB SER 68 -8.314 5.497 -30.564
870 2HB SER 68 2HB SER 68 -8.376 4.947 -32.222
871 HG SER 68 HG SER 68 -6.135 3.980 -31.453
Start of MODEL 13
1 1H5* G 69 1H5* G 69 7.081 -24.566 -14.232
2 2H5* G 69 2H5* G 69 8.378 -23.789 -15.066
3 H4* G 69 H4* G 69 6.362 -23.082 -16.172
4 H3* G 69 H3* G 69 7.987 -21.033 -14.781
5 H1* G 69 H1* G 69 4.148 -20.831 -15.020
6 H8 G 69 H8 G 69 5.626 -21.548 -11.640
7 H1 G 69 H1 G 69 -0.787 -20.963 -11.618
8 1H2 G 69 1H2 G 69 -0.310 -20.695 -15.068
9 2H2 G 69 2H2 G 69 -1.454 -20.907 -13.677
10 H5T G 69 H5T G 69 7.853 -23.735 -12.514
11 1H2* G 69 1H2* G 69 6.365 -20.529 -13.219
12 2H2* G 69 2H2* G 69 5.796 -19.408 -14.446
13 1H5* C 70 1H5* C 70 4.442 -20.342 -17.487
14 2H5* C 70 2H5* C 70 5.052 -19.587 -18.947
15 H4* C 70 H4* C 70 2.641 -19.007 -18.633
16 H3* C 70 H3* C 70 4.589 -16.945 -18.425
17 H1* C 70 H1* C 70 1.035 -17.412 -16.566
18 1H4 C 70 1H4 C 70 2.871 -17.519 -10.321
19 2H4 C 70 2H4 C 70 1.087 -17.228 -10.581
20 H5 C 70 H5 C 70 4.259 -17.832 -12.211
21 H6 C 70 H6 C 70 4.256 -17.673 -14.692
22 1H2* C 70 1H2* C 70 3.971 -16.216 -16.361
23 2H2* C 70 2H2* C 70 2.630 -15.480 -17.136
24 1H5* T 71 1H5* T 71 0.242 -16.008 -19.134
25 2H5* T 71 2H5* T 71 0.065 -14.667 -20.234
26 H4* T 71 H4* T 71 -1.505 -14.578 -18.253
27 H3* T 71 H3* T 71 0.593 -12.371 -18.323
28 1H2* T 71 1H2* T 71 0.465 -12.240 -16.042
29 2H2* T 71 2H2* T 71 -1.370 -11.997 -16.103
30 H1* T 71 H1* T 71 -1.722 -14.239 -15.636
31 H3 T 71 H3 T 71 -0.244 -14.069 -11.245
32 1H5M T 71 1H5M T 71 4.174 -14.204 -14.470
33 2H5M T 71 2H5M T 71 4.158 -13.217 -13.046
34 3H5M T 71 3H5M T 71 4.234 -15.014 -12.859
35 H6 T 71 H6 T 71 1.901 -14.140 -15.527
36 1H5* C 72 1H5* C 72 -3.620 -11.312 -17.302
37 2H5* C 72 2H5* C 72 -4.295 -9.758 -17.679
38 H4* C 72 H4* C 72 -4.912 -10.269 -15.305
39 H3* C 72 H3* C 72 -3.865 -7.733 -16.041
40 H1* C 72 H1* C 72 -3.112 -9.593 -12.893
41 1H4 C 72 1H4 C 72 3.289 -10.710 -12.191
42 2H4 C 72 2H4 C 72 2.531 -11.368 -10.732
43 H5 C 72 H5 C 72 2.094 -10.445 -14.349
44 H6 C 72 H6 C 72 -0.155 -9.933 -15.252
45 1H2* C 72 1H2* C 72 -1.778 -8.268 -15.206
46 2H2* C 72 2H2* C 72 -2.518 -7.400 -13.822
47 1H5* T 73 1H5* T 73 -5.392 -8.072 -11.231
48 2H5* T 73 2H5* T 73 -6.349 -6.580 -10.977
49 H4* T 73 H4* T 73 -4.980 -6.818 -8.995
50 H3* T 73 H3* T 73 -4.675 -4.481 -10.554
51 1H2* T 73 1H2* T 73 -2.497 -5.166 -11.440
52 2H2* T 73 2H2* T 73 -2.018 -4.367 -10.022
53 H1* T 73 H1* T 73 -2.149 -6.416 -8.613
54 H3 T 73 H3 T 73 1.825 -8.073 -8.731
55 1H5M T 73 1H5M T 73 1.813 -7.735 -13.582
56 2H5M T 73 2H5M T 73 0.521 -6.501 -13.709
57 3H5M T 73 3H5M T 73 2.127 -6.121 -12.957
58 H6 T 73 H6 T 73 -1.153 -6.496 -12.178
59 1H5* A 74 1H5* A 74 -4.773 -6.506 -6.386
60 2H5* A 74 2H5* A 74 -6.247 -6.136 -5.538
61 H4* A 74 H4* A 74 -4.997 -6.881 -3.878
62 H3* A 74 H3* A 74 -5.370 -4.245 -3.596
63 H1* A 74 H1* A 74 -1.923 -5.814 -3.028
64 H8 A 74 H8 A 74 -2.512 -4.572 -6.678
65 1H6 A 74 1H6 A 74 3.664 -5.192 -7.116
66 2H6 A 74 2H6 A 74 2.251 -4.772 -8.143
67 H2 A 74 H2 A 74 2.540 -6.478 -3.165
68 1H2* A 74 1H2* A 74 -3.354 -3.562 -4.496
69 2H2* A 74 2H2* A 74 -2.951 -3.650 -2.761
70 1H5* A 75 1H5* A 75 -2.314 -6.342 -0.676
71 2H5* A 75 2H5* A 75 -2.753 -5.918 0.895
72 H4* A 75 H4* A 75 -0.460 -6.227 0.785
73 H3* A 75 H3* A 75 -1.221 -3.826 1.843
74 H1* A 75 H1* A 75 1.821 -4.116 -0.207
75 H8 A 75 H8 A 75 -1.060 -2.488 -2.390
76 1H6 A 75 1H6 A 75 3.700 -1.850 -6.491
77 2H6 A 75 2H6 A 75 1.987 -1.806 -6.394
78 H2 A 75 H2 A 75 5.284 -3.465 -2.634
79 1H2* A 75 1H2* A 75 -0.604 -2.431 0.184
80 2H2* A 75 2H2* A 75 0.987 -2.497 1.140
81 1H5* T 76 1H5* T 76 3.257 -4.701 2.160
82 2H5* T 76 2H5* T 76 3.806 -4.247 3.857
83 H4* T 76 H4* T 76 5.542 -4.003 2.060
84 H3* T 76 H3* T 76 4.843 -2.048 3.919
85 1H2* T 76 1H2* T 76 4.083 -0.443 2.525
86 2H2* T 76 2H2* T 76 5.757 0.002 2.485
87 H1* T 76 H1* T 76 6.186 -1.574 0.599
88 H3 T 76 H3 T 76 5.003 0.394 -3.299
89 1H5M T 76 1H5M T 76 0.872 1.562 -1.066
90 2H5M T 76 2H5M T 76 0.350 0.157 -2.018
91 3H5M T 76 3H5M T 76 0.573 0.020 -0.297
92 H6 T 76 H6 T 76 2.577 -0.514 0.713
93 1H5* C 77 1H5* C 77 9.390 -1.365 2.354
94 2H5* C 77 2H5* C 77 10.353 -0.493 3.617
95 H4* C 77 H4* C 77 10.520 0.663 1.450
96 H3* C 77 H3* C 77 10.044 1.843 3.955
97 H1* C 77 H1* C 77 8.821 3.056 0.756
98 1H4 C 77 1H4 C 77 2.694 3.756 -0.793
99 2H4 C 77 2H4 C 77 3.554 3.493 -2.249
100 H5 C 77 H5 C 77 3.632 3.005 1.369
101 H6 C 77 H6 C 77 5.714 2.721 2.592
102 1H2* C 77 1H2* C 77 7.683 2.064 3.461
103 2H2* C 77 2H2* C 77 8.385 3.663 3.010
104 1H5* C 78 1H5* C 78 12.807 2.669 0.262
105 2H5* C 78 2H5* C 78 14.457 3.303 0.650
106 H4* C 78 H4* C 78 14.037 4.003 -1.503
107 H3* C 78 H3* C 78 14.802 5.702 0.443
108 H1* C 78 H1* C 78 11.703 6.582 -1.787
109 1H4 C 78 1H4 C 78 6.164 5.839 1.825
110 2H4 C 78 2H4 C 78 5.854 5.788 0.136
111 H5 C 78 H5 C 78 8.708 5.791 2.611
112 H6 C 78 H6 C 78 10.932 5.881 1.843
113 1H2* C 78 1H2* C 78 12.698 6.741 0.978
114 2H2* C 78 2H2* C 78 13.158 7.753 -0.394
115 1H5* C 79 1H5* C 79 14.375 7.660 -3.434
116 2H5* C 79 2H5* C 79 15.160 9.215 -3.853
117 H4* C 79 H4* C 79 12.916 9.363 -4.384
118 H3* C 79 H3* C 79 14.190 11.317 -2.743
119 H1* C 79 H1* C 79 10.640 10.254 -3.472
120 1H4 C 79 1H4 C 79 7.407 8.540 1.885
121 2H4 C 79 2H4 C 79 6.244 9.015 0.579
122 H5 C 79 H5 C 79 9.700 8.688 1.578
123 H6 C 79 H6 C 79 11.449 9.241 0.005
124 1H2* C 79 1H2* C 79 12.332 11.598 -1.261
125 2H2* C 79 2H2* C 79 11.518 12.285 -2.733
126 1H5* C 80 1H5* C 80 10.765 11.906 -6.133
127 2H5* C 80 2H5* C 80 11.681 13.222 -7.051
128 H4* C 80 H4* C 80 9.370 13.268 -7.560
129 H3* C 80 H3* C 80 10.546 15.750 -6.763
130 H1* C 80 H1* C 80 7.138 14.585 -5.157
131 1H4 C 80 1H4 C 80 8.887 12.426 0.872
132 2H4 C 80 2H4 C 80 7.201 12.528 0.857
133 H5 C 80 H5 C 80 10.190 13.136 -0.995
134 H6 C 80 H6 C 80 10.224 13.940 -3.300
135 1H2* C 80 1H2* C 80 10.071 15.463 -4.688
136 2H2* C 80 2H2* C 80 8.667 16.461 -5.183
137 1H5* G 81 1H5* G 81 5.747 16.699 -7.368
138 2H5* G 81 2H5* G 81 5.857 18.300 -8.302
139 H4* G 81 H4* G 81 4.430 18.586 -6.586
140 H3* G 81 H3* G 81 6.420 20.269 -6.726
141 H1* G 81 H1* G 81 5.424 18.926 -3.443
142 H8 G 81 H8 G 81 8.805 17.726 -3.589
143 H1 G 81 H1 G 81 5.218 15.898 1.412
144 1H2 G 81 1H2 G 81 2.601 16.338 -0.792
145 2H2 G 81 2H2 G 81 3.097 15.601 0.668
146 H3T G 81 H3T G 81 5.236 21.526 -5.580
147 1H2* G 81 1H2* G 81 7.928 18.987 -5.093
148 2H2* G 81 2H2* G 81 7.247 20.374 -4.145
149 1H5* C 82 1H5* C 82 0.242 16.002 8.229
150 2H5* C 82 2H5* C 82 -0.174 14.411 8.851
151 H4* C 82 H4* C 82 -1.068 15.310 6.397
152 H3* C 82 H3* C 82 0.174 12.646 6.898
153 H1* C 82 H1* C 82 0.665 14.863 3.720
154 1H4 C 82 1H4 C 82 7.219 14.750 4.146
155 2H4 C 82 2H4 C 82 6.767 15.333 2.590
156 H5 C 82 H5 C 82 5.561 14.111 5.812
157 H6 C 82 H6 C 82 3.166 14.111 6.273
158 H5T C 82 H5T C 82 1.797 14.388 9.028
159 1H2* C 82 1H2* C 82 1.298 12.406 5.122
160 2H2* C 82 2H2* C 82 -0.072 12.816 4.051
161 1H5* G 83 1H5* G 83 -3.040 13.000 3.654
162 2H5* G 83 2H5* G 83 -3.991 11.557 3.402
163 H4* G 83 H4* G 83 -3.343 12.710 1.312
164 H3* G 83 H3* G 83 -3.311 10.009 1.534
165 H1* G 83 H1* G 83 -0.600 11.938 -0.247
166 H8 G 83 H8 G 83 0.782 10.691 3.177
167 H1 G 83 H1 G 83 5.156 13.061 -0.857
168 1H2 G 83 1H2 G 83 2.381 13.868 -2.731
169 2H2 G 83 2H2 G 83 4.122 13.836 -2.662
170 1H2* G 83 1H2* G 83 -1.078 9.884 1.926
171 2H2* G 83 2H2* G 83 -0.877 9.759 0.239
172 1H5* G 84 1H5* G 84 -2.412 12.151 -2.602
173 2H5* G 84 2H5* G 84 -3.527 11.195 -3.666
174 H4* G 84 H4* G 84 -1.796 12.355 -4.947
175 H3* G 84 H3* G 84 -2.430 9.636 -5.141
176 H1* G 84 H1* G 84 1.316 10.559 -4.839
177 H8 G 84 H8 G 84 -0.239 9.291 -1.484
178 H1 G 84 H1 G 84 6.111 10.052 -1.633
179 1H2 G 84 1H2 G 84 5.816 11.187 -4.843
180 2H2 G 84 2H2 G 84 6.760 10.934 -3.489
181 1H2* G 84 1H2* G 84 -0.903 8.782 -3.638
182 2H2* G 84 2H2* G 84 0.123 8.520 -5.015
183 1H5* G 85 1H5* G 85 2.783 11.013 -7.848
184 2H5* G 85 2H5* G 85 1.848 10.555 -9.274
185 H4* G 85 H4* G 85 3.925 9.224 -9.046
186 H3* G 85 H3* G 85 1.480 8.201 -9.510
187 H1* G 85 H1* G 85 3.872 6.717 -7.339
188 H8 G 85 H8 G 85 0.986 6.842 -4.946
189 H1 G 85 H1 G 85 6.702 6.433 -2.044
190 1H2 G 85 1H2 G 85 7.864 7.344 -4.951
191 2H2 G 85 2H2 G 85 8.173 6.946 -3.253
192 1H2* G 85 1H2* G 85 1.088 7.659 -7.237
193 2H2* G 85 2H2* G 85 1.806 5.961 -7.686
194 1H5* G 86 1H5* G 86 6.013 8.009 -10.028
195 2H5* G 86 2H5* G 86 6.738 8.144 -11.433
196 H4* G 86 H4* G 86 8.410 7.028 -10.583
197 H3* G 86 H3* G 86 7.281 5.233 -12.238
198 H1* G 86 H1* G 86 7.976 3.974 -8.590
199 H8 G 86 H8 G 86 4.326 4.322 -9.489
200 H1 G 86 H1 G 86 5.556 3.275 -3.259
201 1H2 G 86 1H2 G 86 8.773 3.719 -4.152
202 2H2 G 86 2H2 G 86 7.661 3.457 -2.847
203 1H2* G 86 1H2* G 86 5.913 4.015 -10.816
204 2H2* G 86 2H2* G 86 7.494 3.100 -10.743
205 1H5* A 87 1H5* A 87 10.609 3.755 -9.479
206 2H5* A 87 2H5* A 87 12.039 3.377 -10.459
207 H4* A 87 H4* A 87 12.369 2.269 -8.499
208 H3* A 87 H3* A 87 11.984 0.614 -10.692
209 H1* A 87 H1* A 87 10.384 -0.301 -7.514
210 H8 A 87 H8 A 87 7.685 0.763 -9.985
211 1H6 A 87 1H6 A 87 3.769 0.440 -5.297
212 2H6 A 87 2H6 A 87 3.944 1.064 -6.942
213 H2 A 87 H2 A 87 7.936 0.379 -3.659
214 1H2* A 87 1H2* A 87 9.646 0.220 -10.322
215 2H2* A 87 2H2* A 87 10.541 -1.196 -9.539
216 1H5* T 88 1H5* T 88 12.959 -1.075 -6.258
217 2H5* T 88 2H5* T 88 13.956 -2.453 -6.490
218 H4* T 88 H4* T 88 12.799 -2.640 -4.466
219 H3* T 88 H3* T 88 12.907 -4.759 -6.436
220 1H2* T 88 1H2* T 88 10.755 -4.649 -7.290
221 2H2* T 88 2H2* T 88 10.161 -5.470 -5.894
222 H1* T 88 H1* T 88 9.711 -3.801 -4.570
223 H3 T 88 H3 T 88 5.642 -2.227 -5.302
224 1H5M T 88 1H5M T 88 6.444 -1.921 -9.929
225 2H5M T 88 2H5M T 88 8.226 -2.218 -10.141
226 3H5M T 88 3H5M T 88 7.015 -3.513 -10.074
227 H6 T 88 H6 T 88 9.391 -3.076 -8.214
228 1H5* T 89 1H5* T 89 10.835 -5.476 -2.229
229 2H5* T 89 2H5* T 89 11.918 -6.630 -1.668
230 H4* T 89 H4* T 89 9.969 -6.822 -0.468
231 H3* T 89 H3* T 89 10.628 -9.028 -1.943
232 1H2* T 89 1H2* T 89 9.236 -8.816 -3.688
233 2H2* T 89 2H2* T 89 8.015 -9.594 -2.725
234 H1* T 89 H1* T 89 6.906 -7.838 -2.082
235 H3 T 89 H3 T 89 4.673 -5.297 -5.116
236 1H5M T 89 1H5M T 89 7.864 -7.323 -8.318
237 2H5M T 89 2H5M T 89 8.336 -5.720 -8.240
238 3H5M T 89 3H5M T 89 9.410 -6.929 -7.489
239 H6 T 89 H6 T 89 9.044 -7.354 -5.139
240 1H5* A 90 1H5* A 90 6.738 -9.269 0.223
241 2H5* A 90 2H5* A 90 6.301 -10.728 1.101
242 H4* A 90 H4* A 90 4.286 -9.924 -0.242
243 H3* A 90 H3* A 90 5.534 -12.509 -0.615
244 H1* A 90 H1* A 90 3.643 -10.468 -2.972
245 H8 A 90 H8 A 90 7.042 -10.907 -4.490
246 1H6 A 90 1H6 A 90 4.169 -8.234 -9.392
247 2H6 A 90 2H6 A 90 5.706 -8.869 -9.085
248 H2 A 90 H2 A 90 1.384 -8.681 -6.124
249 1H2* A 90 1H2* A 90 6.247 -12.201 -2.812
250 2H2* A 90 2H2* A 90 4.633 -12.778 -3.098
251 1H5* G 91 1H5* G 91 1.001 -11.271 -0.499
252 2H5* G 91 2H5* G 91 0.165 -12.669 0.248
253 H4* G 91 H4* G 91 -1.408 -11.288 -0.952
254 H3* G 91 H3* G 91 -1.421 -14.059 -1.051
255 H1* G 91 H1* G 91 -1.773 -11.742 -4.194
256 H8 G 91 H8 G 91 1.971 -12.426 -3.630
257 H1 G 91 H1 G 91 0.082 -11.461 -9.739
258 1H2 G 91 1H2 G 91 -3.034 -11.224 -8.315
259 2H2 G 91 2H2 G 91 -2.097 -10.864 -9.680
260 1H2* G 91 1H2* G 91 -0.310 -14.158 -3.030
261 2H2* G 91 2H2* G 91 -1.964 -13.973 -3.671
262 1H5* A 92 1H5* A 92 -5.063 -12.237 -3.939
263 2H5* A 92 2H5* A 92 -6.435 -12.970 -3.034
264 H4* A 92 H4* A 92 -7.150 -12.688 -5.287
265 H3* A 92 H3* A 92 -7.401 -14.948 -3.952
266 H1* A 92 H1* A 92 -5.692 -14.943 -7.543
267 H8 A 92 H8 A 92 -3.178 -15.331 -4.679
268 1H6 A 92 1H6 A 92 0.881 -14.440 -9.290
269 2H6 A 92 2H6 A 92 0.821 -15.106 -7.602
270 H2 A 92 H2 A 92 -2.872 -13.804 -10.796
271 1H2* A 92 1H2* A 92 -5.291 -16.067 -4.753
272 2H2* A 92 2H2* A 92 -6.353 -16.547 -6.073
273 1H5* G 93 1H5* G 93 -8.915 -15.586 -8.752
274 2H5* G 93 2H5* G 93 -10.353 -16.590 -8.611
275 H4* G 93 H4* G 93 -9.253 -17.306 -10.580
276 H3* G 93 H3* G 93 -9.430 -19.350 -8.711
277 H1* G 93 H1* G 93 -6.288 -18.681 -10.698
278 H8 G 93 H8 G 93 -5.365 -18.350 -7.086
279 H1 G 93 H1 G 93 -0.595 -17.909 -11.302
280 1H2 G 93 1H2 G 93 -3.264 -17.229 -13.398
281 2H2 G 93 2H2 G 93 -1.463 -17.314 -13.306
282 1H2* G 93 1H2* G 93 -7.143 -18.948 -7.937
283 2H2* G 93 2H2* G 93 -6.844 -20.244 -9.084
284 1H5* C 94 1H5* C 94 -9.364 -21.288 -13.941
285 2H5* C 94 2H5* C 94 -9.881 -22.934 -13.720
286 H4* C 94 H4* C 94 -7.450 -22.427 -14.454
287 H3* C 94 H3* C 94 -8.205 -24.502 -12.385
288 H1* C 94 H1* C 94 -5.378 -22.508 -13.617
289 1H4 C 94 1H4 C 94 -1.799 -21.283 -8.111
290 2H4 C 94 2H4 C 94 -0.953 -21.141 -9.631
291 H5 C 94 H5 C 94 -4.387 -21.535 -8.312
292 H6 C 94 H6 C 94 -6.093 -21.950 -9.945
293 H3T C 94 H3T C 94 -6.795 -25.669 -13.705
294 1H2* C 94 1H2* C 94 -6.493 -23.906 -11.064
295 2H2* C 94 2H2* C 94 -5.519 -24.632 -12.294
296 1H GLY 1 1H GLY 1 4.424 -12.629 7.643
297 2H GLY 1 2H GLY 1 3.885 -11.356 8.363
298 3H GLY 1 3H GLY 1 5.475 -11.934 8.647
299 1HA GLY 1 1HA GLY 1 6.022 -11.054 6.422
300 2HA GLY 1 2HA GLY 1 4.245 -10.799 6.203
301 HA PRO 2 HA PRO 2 6.353 -7.346 9.219
302 1HB PRO 2 1HB PRO 2 8.952 -6.987 8.327
303 2HB PRO 2 2HB PRO 2 8.390 -7.610 9.906
304 1HG PRO 2 1HG PRO 2 9.707 -8.960 7.520
305 2HG PRO 2 2HG PRO 2 9.372 -9.714 9.060
306 1HD PRO 2 1HD PRO 2 7.790 -10.120 6.770
307 2HD PRO 2 2HD PRO 2 7.561 -10.779 8.302
308 H ARG 3 H ARG 3 6.650 -8.040 5.744
309 HA ARG 3 HA ARG 3 5.593 -5.328 5.308
310 1HB ARG 3 1HB ARG 3 6.998 -4.875 3.491
311 2HB ARG 3 2HB ARG 3 7.891 -5.219 4.889
312 1HG ARG 3 1HG ARG 3 9.067 -6.338 3.051
313 2HG ARG 3 2HG ARG 3 8.136 -7.653 3.884
314 1HD ARG 3 1HD ARG 3 8.437 -7.824 1.396
315 2HD ARG 3 2HD ARG 3 6.811 -7.791 1.966
316 HE ARG 3 HE ARG 3 8.106 -5.273 0.804
317 1HH1 ARG 3 2HH1 ARG 3 5.306 -7.223 1.153
318 2HH1 ARG 3 1HH1 ARG 3 4.638 -6.696 -0.423
319 1HH2 ARG 3 2HH2 ARG 3 6.782 -4.127 -0.830
320 2HH2 ARG 3 1HH2 ARG 3 5.292 -4.941 -1.153
321 H ARG 4 H ARG 4 4.036 -7.655 5.813
322 HA ARG 4 HA ARG 4 2.520 -7.986 3.252
323 1HB ARG 4 1HB ARG 4 4.441 -9.787 4.334
324 2HB ARG 4 2HB ARG 4 2.912 -10.550 4.705
325 1HG ARG 4 1HG ARG 4 3.875 -9.305 2.134
326 2HG ARG 4 2HG ARG 4 4.263 -10.994 2.686
327 1HD ARG 4 1HD ARG 4 1.404 -9.855 2.244
328 2HD ARG 4 2HD ARG 4 2.429 -10.545 1.017
329 HE ARG 4 HE ARG 4 2.334 -12.634 1.753
330 1HH1 ARG 4 2HH1 ARG 4 0.147 -10.654 3.666
331 2HH1 ARG 4 1HH1 ARG 4 -0.842 -12.043 4.080
332 1HH2 ARG 4 2HH2 ARG 4 1.383 -14.406 2.795
333 2HH2 ARG 4 1HH2 ARG 4 -0.093 -14.122 3.610
334 H THR 5 H THR 5 2.273 -7.125 6.484
335 HA THR 5 HA THR 5 -0.310 -8.442 6.663
336 HB THR 5 HB THR 5 0.017 -8.403 9.220
337 HG1 THR 5 HG1 THR 5 2.638 -7.884 8.406
338 1HG2 THR 5 1HG2 THR 5 -0.046 -10.353 7.630
339 2HG2 THR 5 2HG2 THR 5 1.168 -10.785 8.888
340 3HG2 THR 5 3HG2 THR 5 1.669 -10.318 7.396
341 H ARG 6 H ARG 6 -1.254 -6.678 5.762
342 HA ARG 6 HA ARG 6 -2.483 -5.143 7.910
343 1HB ARG 6 1HB ARG 6 -1.487 -3.912 5.312
344 2HB ARG 6 2HB ARG 6 -2.908 -3.267 6.003
345 1HG ARG 6 1HG ARG 6 -1.371 -3.322 8.269
346 2HG ARG 6 2HG ARG 6 -0.067 -3.255 6.982
347 1HD ARG 6 1HD ARG 6 -1.326 -1.485 5.832
348 2HD ARG 6 2HD ARG 6 -2.279 -1.471 7.290
349 HE ARG 6 HE ARG 6 -0.293 -0.603 8.574
350 1HH1 ARG 6 2HH1 ARG 6 0.524 -1.083 5.082
351 2HH1 ARG 6 1HH1 ARG 6 1.952 -0.018 5.270
352 1HH2 ARG 6 2HH2 ARG 6 1.692 0.165 8.609
353 2HH2 ARG 6 1HH2 ARG 6 2.638 0.614 7.220
354 H THR 7 H THR 7 -4.805 -4.505 7.515
355 HA THR 7 HA THR 7 -6.423 -6.595 7.029
356 HB THR 7 HB THR 7 -7.113 -3.643 6.585
357 HG1 THR 7 HG1 THR 7 -7.341 -5.212 8.807
358 1HG2 THR 7 1HG2 THR 7 -9.314 -4.296 7.595
359 2HG2 THR 7 2HG2 THR 7 -8.831 -6.024 7.552
360 3HG2 THR 7 3HG2 THR 7 -8.947 -4.873 6.042
361 H THR 8 H THR 8 -7.823 -7.378 5.570
362 HA THR 8 HA THR 8 -7.655 -6.585 2.678
363 HB THR 8 HB THR 8 -8.857 -9.141 3.579
364 HG1 THR 8 HG1 THR 8 -6.161 -8.462 3.129
365 1HG2 THR 8 1HG2 THR 8 -9.432 -8.456 1.370
366 2HG2 THR 8 2HG2 THR 8 -8.141 -9.775 1.267
367 3HG2 THR 8 3HG2 THR 8 -7.843 -7.973 1.030
368 H PHE 9 H PHE 9 -9.424 -5.298 1.957
369 HA PHE 9 HA PHE 9 -11.439 -4.434 3.672
370 1HB PHE 9 1HB PHE 9 -12.066 -4.675 0.715
371 2HB PHE 9 2HB PHE 9 -12.422 -3.341 1.720
372 HD1 PHE 9 HD1 PHE 9 -10.477 -4.107 -1.035
373 HD2 PHE 9 HD2 PHE 9 -9.959 -2.365 2.863
374 HE1 PHE 9 HE1 PHE 9 -8.678 -2.682 -1.938
375 HE2 PHE 9 HE2 PHE 9 -8.224 -0.868 1.999
376 HZ PHE 9 HZ PHE 9 -7.404 -1.278 -0.495
377 H THR 10 H THR 10 -13.893 -4.591 3.072
378 HA THR 10 HA THR 10 -14.924 -7.179 2.090
379 HB THR 10 HB THR 10 -16.645 -7.202 3.559
380 HG1 THR 10 HG1 THR 10 -16.764 -5.232 5.063
381 1HG2 THR 10 1HG2 THR 10 -16.066 -6.974 5.923
382 2HG2 THR 10 2HG2 THR 10 -14.492 -6.292 5.446
383 3HG2 THR 10 3HG2 THR 10 -14.930 -7.866 4.816
384 H SER 11 H SER 11 -17.342 -6.924 1.224
385 HA SER 11 HA SER 11 -17.014 -5.250 -1.142
386 1HB SER 11 1HB SER 11 -19.330 -6.915 -0.163
387 2HB SER 11 2HB SER 11 -19.069 -6.327 -1.822
388 HG SER 11 HG SER 11 -18.382 -8.437 -1.772
389 H SER 12 H SER 12 -18.775 -5.113 1.968
390 HA SER 12 HA SER 12 -20.279 -2.663 1.615
391 1HB SER 12 1HB SER 12 -18.872 -3.806 4.020
392 2HB SER 12 2HB SER 12 -19.920 -2.332 3.926
393 HG SER 12 HG SER 12 -21.252 -3.820 4.415
394 H GLN 13 H GLN 13 -16.845 -3.198 2.506
395 HA GLN 13 HA GLN 13 -16.199 -0.400 3.107
396 1HB GLN 13 1HB GLN 13 -14.498 -2.772 2.748
397 2HB GLN 13 2HB GLN 13 -14.023 -1.190 3.329
398 1HG GLN 13 1HG GLN 13 -15.550 -1.126 5.041
399 2HG GLN 13 2HG GLN 13 -16.051 -2.854 4.872
400 1HE2 GLN 13 1HE2 GLN 13 -14.357 -1.424 7.018
401 2HE2 GLN 13 2HE2 GLN 13 -13.132 -2.672 7.187
402 H ILE 14 H ILE 14 -15.401 -2.456 0.356
403 HA ILE 14 HA ILE 14 -14.403 -0.317 -1.383
404 HB ILE 14 HB ILE 14 -15.750 -2.783 -2.259
405 1HG1 ILE 14 1HG1 ILE 14 -12.758 -2.094 -2.170
406 2HG1 ILE 14 2HG1 ILE 14 -13.674 -2.902 -0.843
407 1HG2 ILE 14 1HG2 ILE 14 -14.461 -2.266 -4.475
408 2HG2 ILE 14 2HG2 ILE 14 -15.727 -1.080 -4.033
409 3HG2 ILE 14 3HG2 ILE 14 -14.036 -0.696 -3.666
410 1HD1 ILE 14 1HD1 ILE 14 -14.280 -4.644 -2.266
411 2HD1 ILE 14 2HD1 ILE 14 -13.355 -4.119 -3.587
412 3HD1 ILE 14 3HD1 ILE 14 -12.457 -4.584 -2.153
413 H ALA 15 H ALA 15 -17.684 -1.365 -0.670
414 HA ALA 15 HA ALA 15 -18.957 0.498 -2.450
415 1HB ALA 15 1HB ALA 15 -20.126 -1.388 -1.180
416 2HB ALA 15 2HB ALA 15 -20.147 -0.397 0.201
417 3HB ALA 15 3HB ALA 15 -21.080 0.089 -1.224
418 H GLU 16 H GLU 16 -18.301 0.912 1.097
419 HA GLU 16 HA GLU 16 -18.928 3.712 1.345
420 1HB GLU 16 1HB GLU 16 -16.875 1.860 2.484
421 2HB GLU 16 2HB GLU 16 -16.948 3.590 2.909
422 1HG GLU 16 1HG GLU 16 -18.509 1.325 4.004
423 2HG GLU 16 2HG GLU 16 -17.557 2.664 4.671
424 H LEU 17 H LEU 17 -15.689 2.279 0.566
425 HA LEU 17 HA LEU 17 -14.388 4.593 0.165
426 1HB LEU 17 1HB LEU 17 -14.070 1.929 -1.092
427 2HB LEU 17 2HB LEU 17 -12.871 3.219 -1.416
428 HG LEU 17 HG LEU 17 -13.755 2.768 1.451
429 1HD1 LEU 17 1HD1 LEU 17 -12.873 0.370 0.514
430 2HD1 LEU 17 2HD1 LEU 17 -12.322 1.082 1.957
431 3HD1 LEU 17 3HD1 LEU 17 -11.367 1.177 0.333
432 1HD2 LEU 17 1HD2 LEU 17 -11.631 3.211 2.019
433 2HD2 LEU 17 2HD2 LEU 17 -12.240 4.498 1.093
434 3HD2 LEU 17 3HD2 LEU 17 -11.067 3.363 0.312
435 H GLU 18 H GLU 18 -16.183 2.820 -2.283
436 HA GLU 18 HA GLU 18 -15.778 4.625 -4.369
437 1HB GLU 18 1HB GLU 18 -17.621 2.379 -3.856
438 2HB GLU 18 2HB GLU 18 -18.001 3.391 -5.222
439 1HG GLU 18 1HG GLU 18 -15.177 2.844 -5.503
440 2HG GLU 18 2HG GLU 18 -15.900 1.377 -4.870
441 H GLN 19 H GLN 19 -18.691 4.248 -2.426
442 HA GLN 19 HA GLN 19 -20.036 6.388 -3.548
443 1HB GLN 19 1HB GLN 19 -20.064 5.246 -0.741
444 2HB GLN 19 2HB GLN 19 -21.131 6.510 -1.177
445 1HG GLN 19 1HG GLN 19 -20.950 3.666 -2.370
446 2HG GLN 19 2HG GLN 19 -22.413 4.563 -1.639
447 1HE2 GLN 19 1HE2 GLN 19 -23.026 6.515 -2.716
448 2HE2 GLN 19 2HE2 GLN 19 -23.381 6.305 -4.433
449 H HIS 20 H HIS 20 -17.459 6.601 -1.041
450 HA HIS 20 HA HIS 20 -17.995 9.523 -0.937
451 1HB HIS 20 1HB HIS 20 -16.340 7.740 0.808
452 2HB HIS 20 2HB HIS 20 -16.422 9.518 1.023
453 HD1 HIS 20 HD1 HIS 20 -19.245 10.207 1.472
454 HD2 HIS 20 HD2 HIS 20 -17.852 6.337 2.232
455 HE1 HIS 20 HE1 HIS 20 -21.016 9.088 2.923
456 H PHE 21 H PHE 21 -15.771 7.308 -2.247
457 HA PHE 21 HA PHE 21 -14.117 9.229 -3.653
458 1HB PHE 21 1HB PHE 21 -13.347 7.011 -4.010
459 2HB PHE 21 2HB PHE 21 -14.959 6.420 -4.318
460 HD1 PHE 21 HD1 PHE 21 -16.024 6.687 -6.427
461 HD2 PHE 21 HD2 PHE 21 -12.038 8.080 -6.000
462 HE1 PHE 21 HE1 PHE 21 -15.954 6.858 -8.817
463 HE2 PHE 21 HE2 PHE 21 -11.683 7.825 -8.372
464 HZ PHE 21 HZ PHE 21 -13.654 7.620 -9.967
465 H LEU 22 H LEU 22 -17.398 8.274 -4.707
466 HA LEU 22 HA LEU 22 -17.701 9.842 -7.091
467 1HB LEU 22 1HB LEU 22 -19.637 9.715 -4.750
468 2HB LEU 22 2HB LEU 22 -20.008 10.301 -6.283
469 HG LEU 22 HG LEU 22 -19.245 7.399 -5.688
470 1HD1 LEU 22 1HD1 LEU 22 -22.036 8.767 -6.243
471 2HD1 LEU 22 2HD1 LEU 22 -21.404 7.989 -4.760
472 3HD1 LEU 22 3HD1 LEU 22 -21.738 7.032 -6.171
473 1HD2 LEU 22 1HD2 LEU 22 -20.184 6.926 -7.962
474 2HD2 LEU 22 2HD2 LEU 22 -18.707 7.465 -7.808
475 3HD2 LEU 22 3HD2 LEU 22 -20.005 8.658 -8.344
476 H GLN 23 H GLN 23 -17.335 11.010 -3.756
477 HA GLN 23 HA GLN 23 -18.028 13.776 -4.479
478 1HB GLN 23 1HB GLN 23 -17.207 12.766 -1.710
479 2HB GLN 23 2HB GLN 23 -17.929 14.179 -2.194
480 1HG GLN 23 1HG GLN 23 -19.206 11.461 -2.516
481 2HG GLN 23 2HG GLN 23 -19.507 12.637 -1.247
482 1HE2 GLN 23 1HE2 GLN 23 -21.211 11.405 -3.611
483 2HE2 GLN 23 2HE2 GLN 23 -21.900 12.842 -4.338
484 H GLY 24 H GLY 24 -15.182 11.795 -4.308
485 1HA GLY 24 1HA GLY 24 -13.643 14.110 -5.116
486 2HA GLY 24 2HA GLY 24 -13.095 13.514 -3.604
487 H ARG 25 H ARG 25 -11.746 13.432 -6.268
488 HA ARG 25 HA ARG 25 -11.751 10.498 -6.847
489 1HB ARG 25 1HB ARG 25 -9.798 12.615 -7.850
490 2HB ARG 25 2HB ARG 25 -10.038 11.144 -8.512
491 1HG ARG 25 1HG ARG 25 -12.229 13.359 -8.628
492 2HG ARG 25 2HG ARG 25 -11.356 12.489 -9.970
493 1HD ARG 25 1HD ARG 25 -12.530 10.381 -9.220
494 2HD ARG 25 2HD ARG 25 -13.491 11.293 -7.981
495 HE ARG 25 HE ARG 25 -13.957 12.130 -10.614
496 1HH1 ARG 25 2HH1 ARG 25 -15.219 10.161 -7.894
497 2HH1 ARG 25 1HH1 ARG 25 -16.638 9.752 -8.801
498 1HH2 ARG 25 2HH2 ARG 25 -15.964 11.371 -11.515
499 2HH2 ARG 25 1HH2 ARG 25 -16.853 10.130 -10.735
500 H TYR 26 H TYR 26 -9.737 12.396 -4.799
501 HA TYR 26 HA TYR 26 -8.158 10.013 -4.231
502 1HB TYR 26 1HB TYR 26 -6.159 10.848 -4.455
503 2HB TYR 26 2HB TYR 26 -6.974 11.341 -6.031
504 HD1 TYR 26 HD1 TYR 26 -8.435 13.783 -4.869
505 HD2 TYR 26 HD2 TYR 26 -4.378 12.450 -4.825
506 HE1 TYR 26 HE1 TYR 26 -7.576 16.174 -4.614
507 HE2 TYR 26 HE2 TYR 26 -3.515 14.545 -4.469
508 HH TYR 26 HH TYR 26 -4.148 16.918 -4.038
509 H LEU 27 H LEU 27 -6.761 10.510 -2.330
510 HA LEU 27 HA LEU 27 -8.548 11.601 -0.198
511 1HB LEU 27 1HB LEU 27 -6.088 10.071 -0.095
512 2HB LEU 27 2HB LEU 27 -6.839 10.785 1.412
513 HG LEU 27 HG LEU 27 -7.971 8.641 -0.540
514 1HD1 LEU 27 1HD1 LEU 27 -7.781 8.418 2.371
515 2HD1 LEU 27 2HD1 LEU 27 -6.472 7.856 1.298
516 3HD1 LEU 27 3HD1 LEU 27 -7.988 7.153 1.098
517 1HD2 LEU 27 1HD2 LEU 27 -9.248 10.174 1.767
518 2HD2 LEU 27 2HD2 LEU 27 -9.937 8.642 1.192
519 3HD2 LEU 27 3HD2 LEU 27 -9.938 10.059 0.162
520 H THR 28 H THR 28 -7.880 12.940 1.449
521 HA THR 28 HA THR 28 -5.346 14.275 1.469
522 HB THR 28 HB THR 28 -6.413 16.317 2.146
523 HG1 THR 28 HG1 THR 28 -8.955 16.255 1.480
524 1HG2 THR 28 1HG2 THR 28 -5.854 16.190 -0.087
525 2HG2 THR 28 2HG2 THR 28 -7.313 17.222 0.031
526 3HG2 THR 28 3HG2 THR 28 -7.425 15.440 -0.444
527 H ALA 29 H ALA 29 -5.166 14.837 3.735
528 HA ALA 29 HA ALA 29 -5.813 12.676 5.550
529 1HB ALA 29 1HB ALA 29 -5.318 15.560 6.215
530 2HB ALA 29 2HB ALA 29 -4.883 14.148 7.268
531 3HB ALA 29 3HB ALA 29 -3.976 14.407 5.792
532 HA PRO 30 HA PRO 30 -9.731 14.977 7.211
533 1HB PRO 30 1HB PRO 30 -11.058 16.435 5.198
534 2HB PRO 30 2HB PRO 30 -10.264 17.003 6.568
535 1HG PRO 30 1HG PRO 30 -9.420 16.771 3.764
536 2HG PRO 30 2HG PRO 30 -8.953 18.051 4.862
537 1HD PRO 30 1HD PRO 30 -7.026 16.326 4.352
538 2HD PRO 30 2HD PRO 30 -7.234 16.853 5.915
539 H ARG 31 H ARG 31 -9.823 14.539 3.648
540 HA ARG 31 HA ARG 31 -12.005 12.897 3.448
541 1HB ARG 31 1HB ARG 31 -9.725 13.616 1.608
542 2HB ARG 31 2HB ARG 31 -10.374 11.977 1.443
543 1HG ARG 31 1HG ARG 31 -11.254 13.469 -0.141
544 2HG ARG 31 2HG ARG 31 -12.560 12.936 0.975
545 1HD ARG 31 1HD ARG 31 -12.135 15.173 2.295
546 2HD ARG 31 2HD ARG 31 -10.849 15.550 1.195
547 HE ARG 31 HE ARG 31 -13.745 15.846 1.020
548 1HH1 ARG 31 2HH1 ARG 31 -10.879 16.106 -1.136
549 2HH1 ARG 31 1HH1 ARG 31 -11.558 17.648 -1.633
550 1HH2 ARG 31 2HH2 ARG 31 -14.443 17.315 -0.274
551 2HH2 ARG 31 1HH2 ARG 31 -13.451 18.315 -1.342
552 H LEU 32 H LEU 32 -8.829 11.646 3.716
553 HA LEU 32 HA LEU 32 -9.439 8.974 4.173
554 1HB LEU 32 1HB LEU 32 -7.246 10.068 3.689
555 2HB LEU 32 2HB LEU 32 -7.153 10.618 5.333
556 HG LEU 32 HG LEU 32 -6.454 8.072 4.058
557 1HD1 LEU 32 1HD1 LEU 32 -5.672 9.456 6.643
558 2HD1 LEU 32 2HD1 LEU 32 -4.961 9.719 5.012
559 3HD1 LEU 32 3HD1 LEU 32 -4.716 8.187 5.917
560 1HD2 LEU 32 1HD2 LEU 32 -6.758 6.610 5.957
561 2HD2 LEU 32 2HD2 LEU 32 -8.355 7.136 5.416
562 3HD2 LEU 32 3HD2 LEU 32 -7.623 7.815 6.902
563 H ALA 33 H ALA 33 -9.178 11.334 6.863
564 HA ALA 33 HA ALA 33 -9.728 9.460 8.770
565 1HB ALA 33 1HB ALA 33 -10.335 11.631 10.236
566 2HB ALA 33 2HB ALA 33 -8.740 11.635 9.469
567 3HB ALA 33 3HB ALA 33 -10.016 12.619 8.759
568 H ASP 34 H ASP 34 -12.096 11.568 7.093
569 HA ASP 34 HA ASP 34 -14.317 10.677 8.530
570 1HB ASP 34 1HB ASP 34 -14.351 12.727 7.280
571 2HB ASP 34 2HB ASP 34 -14.168 11.888 5.730
572 H LEU 35 H LEU 35 -13.110 9.480 5.230
573 HA LEU 35 HA LEU 35 -14.966 7.445 5.128
574 1HB LEU 35 1HB LEU 35 -12.689 8.135 3.526
575 2HB LEU 35 2HB LEU 35 -12.439 6.542 4.111
576 HG LEU 35 HG LEU 35 -13.601 5.580 2.621
577 1HD1 LEU 35 1HD1 LEU 35 -15.610 5.780 3.829
578 2HD1 LEU 35 2HD1 LEU 35 -15.793 5.820 2.085
579 3HD1 LEU 35 3HD1 LEU 35 -15.766 7.425 3.117
580 1HD2 LEU 35 1HD2 LEU 35 -12.548 7.188 1.330
581 2HD2 LEU 35 2HD2 LEU 35 -13.990 8.196 1.215
582 3HD2 LEU 35 3HD2 LEU 35 -14.051 6.504 0.715
583 H SER 36 H SER 36 -11.809 7.370 6.875
584 HA SER 36 HA SER 36 -11.324 4.747 7.609
585 1HB SER 36 1HB SER 36 -10.704 7.144 9.223
586 2HB SER 36 2HB SER 36 -10.183 5.508 9.566
587 HG SER 36 HG SER 36 -9.676 6.972 7.167
588 H ALA 37 H ALA 37 -13.375 7.431 9.193
589 HA ALA 37 HA ALA 37 -14.219 5.767 11.323
590 1HB ALA 37 1HB ALA 37 -15.708 7.633 11.673
591 2HB ALA 37 2HB ALA 37 -14.075 8.214 11.512
592 3HB ALA 37 3HB ALA 37 -15.121 8.295 10.085
593 H LYS 38 H LYS 38 -15.804 6.815 8.343
594 HA LYS 38 HA LYS 38 -18.293 5.628 8.396
595 1HB LYS 38 1HB LYS 38 -16.307 6.192 6.164
596 2HB LYS 38 2HB LYS 38 -17.930 5.462 5.846
597 1HG LYS 38 1HG LYS 38 -17.405 8.227 6.686
598 2HG LYS 38 2HG LYS 38 -18.181 7.558 5.224
599 1HD LYS 38 1HD LYS 38 -19.235 7.699 8.061
600 2HD LYS 38 2HD LYS 38 -19.856 8.590 6.686
601 1HE LYS 38 1HE LYS 38 -19.817 5.569 6.879
602 2HE LYS 38 2HE LYS 38 -21.212 6.522 7.507
603 1HZ LYS 38 1HZ LYS 38 -20.812 5.585 4.889
604 2HZ LYS 38 2HZ LYS 38 -20.274 7.010 4.690
605 3HZ LYS 38 3HZ LYS 38 -21.759 6.981 5.162
606 H LEU 39 H LEU 39 -15.375 4.235 6.707
607 HA LEU 39 HA LEU 39 -16.089 1.541 6.185
608 1HB LEU 39 1HB LEU 39 -13.568 3.039 6.631
609 2HB LEU 39 2HB LEU 39 -13.592 1.419 6.106
610 HG LEU 39 HG LEU 39 -14.987 3.365 4.243
611 1HD1 LEU 39 1HD1 LEU 39 -12.909 3.874 3.305
612 2HD1 LEU 39 2HD1 LEU 39 -12.244 2.345 4.013
613 3HD1 LEU 39 3HD1 LEU 39 -12.460 3.824 5.029
614 1HD2 LEU 39 1HD2 LEU 39 -13.620 0.676 4.186
615 2HD2 LEU 39 2HD2 LEU 39 -14.436 1.402 2.768
616 3HD2 LEU 39 3HD2 LEU 39 -15.378 0.936 4.149
617 H ALA 40 H ALA 40 -14.357 2.946 8.960
618 HA ALA 40 HA ALA 40 -13.569 2.127 10.838
619 1HB ALA 40 1HB ALA 40 -14.388 -0.303 11.613
620 2HB ALA 40 2HB ALA 40 -15.614 0.950 11.474
621 3HB ALA 40 3HB ALA 40 -15.493 -0.226 10.270
622 H LEU 41 H LEU 41 -11.670 2.302 9.533
623 HA LEU 41 HA LEU 41 -10.026 -0.189 9.283
624 1HB LEU 41 1HB LEU 41 -10.713 1.813 7.004
625 2HB LEU 41 2HB LEU 41 -9.301 0.782 6.947
626 HG LEU 41 HG LEU 41 -12.212 -0.092 6.864
627 1HD1 LEU 41 1HD1 LEU 41 -11.812 -0.707 4.525
628 2HD1 LEU 41 2HD1 LEU 41 -10.014 -0.813 4.944
629 3HD1 LEU 41 3HD1 LEU 41 -10.887 0.730 4.708
630 1HD2 LEU 41 1HD2 LEU 41 -11.170 -1.881 8.091
631 2HD2 LEU 41 2HD2 LEU 41 -9.599 -1.729 7.180
632 3HD2 LEU 41 3HD2 LEU 41 -10.992 -2.394 6.440
633 H GLY 42 H GLY 42 -7.848 -0.028 9.309
634 1HA GLY 42 1HA GLY 42 -6.607 2.101 10.559
635 2HA GLY 42 2HA GLY 42 -5.786 0.894 9.408
636 H THR 43 H THR 43 -5.804 4.118 9.840
637 HA THR 43 HA THR 43 -6.581 5.267 7.564
638 HB THR 43 HB THR 43 -4.953 7.009 7.829
639 HG1 THR 43 HG1 THR 43 -3.752 6.699 10.120
640 1HG2 THR 43 1HG2 THR 43 -7.046 7.097 8.954
641 2HG2 THR 43 2HG2 THR 43 -5.637 7.805 9.910
642 3HG2 THR 43 3HG2 THR 43 -6.414 6.198 10.276
643 H ALA 44 H ALA 44 -3.598 3.302 7.550
644 HA ALA 44 HA ALA 44 -2.555 4.052 4.926
645 1HB ALA 44 1HB ALA 44 -2.761 1.327 6.318
646 2HB ALA 44 2HB ALA 44 -1.478 1.966 5.210
647 3HB ALA 44 3HB ALA 44 -1.629 2.534 6.873
648 H GLN 45 H GLN 45 -5.393 1.999 5.996
649 HA GLN 45 HA GLN 45 -5.430 0.504 3.486
650 1HB GLN 45 1HB GLN 45 -7.511 0.992 5.714
651 2HB GLN 45 2HB GLN 45 -7.984 0.137 4.246
652 1HG GLN 45 1HG GLN 45 -7.493 -1.434 6.101
653 2HG GLN 45 2HG GLN 45 -6.730 -1.702 4.502
654 1HE2 GLN 45 1HE2 GLN 45 -6.426 -1.238 7.896
655 2HE2 GLN 45 2HE2 GLN 45 -4.654 -1.391 7.948
656 H VAL 46 H VAL 46 -7.037 3.507 4.390
657 HA VAL 46 HA VAL 46 -8.628 3.395 1.947
658 HB VAL 46 HB VAL 46 -8.041 5.869 3.671
659 1HG1 VAL 46 1HG1 VAL 46 -10.706 5.082 2.654
660 2HG1 VAL 46 2HG1 VAL 46 -9.927 6.742 2.967
661 3HG1 VAL 46 3HG1 VAL 46 -9.586 5.761 1.492
662 1HG2 VAL 46 1HG2 VAL 46 -8.550 4.391 5.473
663 2HG2 VAL 46 2HG2 VAL 46 -9.897 5.319 5.176
664 3HG2 VAL 46 3HG2 VAL 46 -9.722 3.568 4.516
665 H LYS 47 H LYS 47 -5.769 5.449 2.824
666 HA LYS 47 HA LYS 47 -5.107 6.600 0.369
667 1HB LYS 47 1HB LYS 47 -3.432 5.332 2.577
668 2HB LYS 47 2HB LYS 47 -2.723 6.328 1.304
669 1HG LYS 47 1HG LYS 47 -4.322 8.118 1.977
670 2HG LYS 47 2HG LYS 47 -4.681 7.067 3.347
671 1HD LYS 47 1HD LYS 47 -1.872 8.144 2.841
672 2HD LYS 47 2HD LYS 47 -3.201 8.947 3.823
673 1HE LYS 47 1HE LYS 47 -3.118 6.993 5.305
674 2HE LYS 47 2HE LYS 47 -2.111 6.229 4.174
675 1HZ LYS 47 1HZ LYS 47 -0.365 7.861 4.572
676 2HZ LYS 47 2HZ LYS 47 -0.707 7.043 5.958
677 3HZ LYS 47 3HZ LYS 47 -1.260 8.541 5.875
678 H ILE 48 H ILE 48 -3.998 3.251 1.468
679 HA ILE 48 HA ILE 48 -2.791 2.510 -0.936
680 HB ILE 48 HB ILE 48 -4.025 0.760 1.201
681 1HG1 ILE 48 1HG1 ILE 48 -1.167 1.540 0.181
682 2HG1 ILE 48 2HG1 ILE 48 -1.960 2.307 1.478
683 1HG2 ILE 48 1HG2 ILE 48 -2.295 -0.268 -1.156
684 2HG2 ILE 48 2HG2 ILE 48 -3.091 -1.158 0.083
685 3HG2 ILE 48 3HG2 ILE 48 -4.067 -0.468 -1.067
686 1HD1 ILE 48 1HD1 ILE 48 -1.142 -0.635 1.553
687 2HD1 ILE 48 2HD1 ILE 48 -0.391 0.597 2.282
688 3HD1 ILE 48 3HD1 ILE 48 -2.106 0.096 2.833
689 H TRP 49 H TRP 49 -6.310 2.061 -0.146
690 HA TRP 49 HA TRP 49 -7.032 0.790 -2.589
691 1HB TRP 49 1HB TRP 49 -8.483 0.790 -0.692
692 2HB TRP 49 2HB TRP 49 -8.678 2.516 -0.715
693 HD1 TRP 49 HD1 TRP 49 -9.217 -0.586 -2.909
694 HE1 TRP 49 HE1 TRP 49 -11.370 -0.177 -4.463
695 HE3 TRP 49 HE3 TRP 49 -9.938 4.340 -2.021
696 HZ2 TRP 49 HZ2 TRP 49 -12.733 2.008 -5.394
697 HZ3 TRP 49 HZ3 TRP 49 -11.676 5.634 -3.378
698 HH2 TRP 49 HH2 TRP 49 -13.227 4.419 -4.882
699 H PHE 50 H PHE 50 -7.309 4.178 -1.809
700 HA PHE 50 HA PHE 50 -8.269 4.982 -4.312
701 1HB PHE 50 1HB PHE 50 -6.966 6.303 -1.936
702 2HB PHE 50 2HB PHE 50 -6.673 7.158 -3.446
703 HD1 PHE 50 HD1 PHE 50 -9.009 8.054 -4.623
704 HD2 PHE 50 HD2 PHE 50 -9.051 6.051 -0.758
705 HE1 PHE 50 HE1 PHE 50 -11.143 8.908 -4.155
706 HE2 PHE 50 HE2 PHE 50 -11.200 6.836 -0.363
707 HZ PHE 50 HZ PHE 50 -12.362 8.332 -2.005
708 H LYS 51 H LYS 51 -4.908 5.056 -3.080
709 HA LYS 51 HA LYS 51 -3.531 6.084 -5.200
710 1HB LYS 51 1HB LYS 51 -2.754 6.056 -2.903
711 2HB LYS 51 2HB LYS 51 -2.707 4.265 -2.959
712 1HG LYS 51 1HG LYS 51 -1.109 6.289 -4.719
713 2HG LYS 51 2HG LYS 51 -0.652 5.887 -3.145
714 1HD LYS 51 1HD LYS 51 -0.675 3.897 -5.380
715 2HD LYS 51 2HD LYS 51 0.798 4.699 -4.832
716 1HE LYS 51 1HE LYS 51 0.498 3.334 -2.625
717 2HE LYS 51 2HE LYS 51 -1.010 2.824 -3.263
718 1HZ LYS 51 1HZ LYS 51 0.183 1.770 -5.125
719 2HZ LYS 51 2HZ LYS 51 0.807 1.122 -3.848
720 3HZ LYS 51 3HZ LYS 51 1.556 2.331 -4.638
721 H ASN 52 H ASN 52 -4.038 2.515 -4.688
722 HA ASN 52 HA ASN 52 -2.529 1.878 -7.104
723 1HB ASN 52 1HB ASN 52 -4.313 0.310 -5.453
724 2HB ASN 52 2HB ASN 52 -3.628 -0.370 -6.925
725 1HD2 ASN 52 1HD2 ASN 52 -3.337 -1.101 -3.950
726 2HD2 ASN 52 2HD2 ASN 52 -1.564 -1.071 -3.862
727 H ARG 53 H ARG 53 -6.198 2.227 -6.273
728 HA ARG 53 HA ARG 53 -6.913 1.182 -8.844
729 1HB ARG 53 1HB ARG 53 -8.404 2.597 -6.558
730 2HB ARG 53 2HB ARG 53 -9.317 2.098 -7.931
731 1HG ARG 53 1HG ARG 53 -7.765 0.339 -6.104
732 2HG ARG 53 2HG ARG 53 -9.590 0.569 -6.208
733 1HD ARG 53 1HD ARG 53 -9.664 -0.949 -8.011
734 2HD ARG 53 2HD ARG 53 -8.121 -0.398 -8.623
735 HE ARG 53 HE ARG 53 -7.082 -2.069 -7.079
736 1HH1 ARG 53 2HH1 ARG 53 -10.416 -1.867 -6.140
737 2HH1 ARG 53 1HH1 ARG 53 -10.078 -3.227 -5.052
738 1HH2 ARG 53 2HH2 ARG 53 -6.846 -3.647 -5.783
739 2HH2 ARG 53 1HH2 ARG 53 -8.168 -4.051 -4.738
740 H ARG 54 H ARG 54 -6.486 4.537 -7.656
741 HA ARG 54 HA ARG 54 -7.399 5.848 -10.066
742 1HB ARG 54 1HB ARG 54 -5.957 6.648 -7.528
743 2HB ARG 54 2HB ARG 54 -5.693 7.578 -8.997
744 1HG ARG 54 1HG ARG 54 -7.562 8.489 -7.714
745 2HG ARG 54 2HG ARG 54 -8.004 8.091 -9.316
746 1HD ARG 54 1HD ARG 54 -8.442 5.975 -7.265
747 2HD ARG 54 2HD ARG 54 -9.348 7.355 -7.093
748 HE ARG 54 HE ARG 54 -9.777 6.620 -9.808
749 1HH1 ARG 54 2HH1 ARG 54 -10.125 4.976 -6.739
750 2HH1 ARG 54 1HH1 ARG 54 -11.656 4.314 -7.238
751 1HH2 ARG 54 2HH2 ARG 54 -11.095 5.130 -10.550
752 2HH2 ARG 54 1HH2 ARG 54 -11.995 4.131 -9.439
753 H ARG 55 H ARG 55 -4.102 4.704 -8.965
754 HA ARG 55 HA ARG 55 -2.640 5.282 -11.273
755 1HB ARG 55 1HB ARG 55 -2.381 2.938 -9.310
756 2HB ARG 55 2HB ARG 55 -1.539 3.010 -10.748
757 1HG ARG 55 1HG ARG 55 -1.547 5.225 -8.677
758 2HG ARG 55 2HG ARG 55 -0.286 3.962 -8.635
759 1HD ARG 55 1HD ARG 55 -0.891 5.924 -10.750
760 2HD ARG 55 2HD ARG 55 0.584 5.999 -9.763
761 HE ARG 55 HE ARG 55 0.797 4.818 -12.112
762 1HH1 ARG 55 2HH1 ARG 55 0.940 3.090 -9.042
763 2HH1 ARG 55 1HH1 ARG 55 2.449 2.312 -9.499
764 1HH2 ARG 55 2HH2 ARG 55 2.341 3.309 -12.685
765 2HH2 ARG 55 1HH2 ARG 55 3.220 2.486 -11.366
766 H ARG 56 H ARG 56 -4.984 2.523 -10.661
767 HA ARG 56 HA ARG 56 -4.273 0.889 -12.969
768 1HB ARG 56 1HB ARG 56 -5.888 0.478 -10.874
769 2HB ARG 56 2HB ARG 56 -7.116 1.115 -12.035
770 1HG ARG 56 1HG ARG 56 -7.158 -1.266 -12.263
771 2HG ARG 56 2HG ARG 56 -6.494 -0.389 -13.692
772 1HD ARG 56 1HD ARG 56 -5.364 -2.738 -12.937
773 2HD ARG 56 2HD ARG 56 -4.374 -1.422 -13.285
774 HE ARG 56 HE ARG 56 -5.134 -2.486 -10.515
775 1HH1 ARG 56 2HH1 ARG 56 -2.858 -0.549 -12.307
776 2HH1 ARG 56 1HH1 ARG 56 -2.032 -0.026 -10.847
777 1HH2 ARG 56 2HH2 ARG 56 -3.893 -2.062 -8.827
778 2HH2 ARG 56 1HH2 ARG 56 -2.460 -1.075 -8.852
779 H HIS 57 H HIS 57 -6.758 3.310 -12.589
780 HA HIS 57 HA HIS 57 -7.742 3.329 -15.183
781 1HB HIS 57 1HB HIS 57 -9.067 4.107 -13.328
782 2HB HIS 57 2HB HIS 57 -7.820 5.212 -12.811
783 HD1 HIS 57 HD1 HIS 57 -8.281 7.623 -14.000
784 HD2 HIS 57 HD2 HIS 57 -10.458 4.564 -15.439
785 HE1 HIS 57 HE1 HIS 57 -10.254 8.772 -15.215
786 H LYS 58 H LYS 58 -5.561 5.825 -13.795
787 HA LYS 58 HA LYS 58 -5.035 6.908 -16.356
788 1HB LYS 58 1HB LYS 58 -3.251 8.260 -15.616
789 2HB LYS 58 2HB LYS 58 -4.644 8.170 -14.462
790 1HG LYS 58 1HG LYS 58 -3.035 6.459 -13.139
791 2HG LYS 58 2HG LYS 58 -1.845 7.153 -14.151
792 1HD LYS 58 1HD LYS 58 -2.195 9.252 -13.426
793 2HD LYS 58 2HD LYS 58 -3.604 8.897 -12.408
794 1HE LYS 58 1HE LYS 58 -2.553 7.695 -10.966
795 2HE LYS 58 2HE LYS 58 -0.987 7.611 -11.964
796 1HZ LYS 58 1HZ LYS 58 -0.831 9.982 -11.537
797 2HZ LYS 58 2HZ LYS 58 -0.860 9.372 -10.064
798 3HZ LYS 58 3HZ LYS 58 -2.266 10.008 -10.610
799 H ILE 59 H ILE 59 -3.387 4.216 -14.954
800 HA ILE 59 HA ILE 59 -1.219 4.021 -16.877
801 HB ILE 59 HB ILE 59 -2.701 1.969 -15.284
802 1HG1 ILE 59 1HG1 ILE 59 0.129 2.849 -15.209
803 2HG1 ILE 59 2HG1 ILE 59 -1.081 3.699 -14.085
804 1HG2 ILE 59 1HG2 ILE 59 -1.858 0.685 -17.141
805 2HG2 ILE 59 2HG2 ILE 59 -0.406 1.665 -17.222
806 3HG2 ILE 59 3HG2 ILE 59 -0.564 0.564 -15.890
807 1HD1 ILE 59 1HD1 ILE 59 0.087 0.904 -13.740
808 2HD1 ILE 59 2HD1 ILE 59 -0.086 2.169 -12.635
809 3HD1 ILE 59 3HD1 ILE 59 -1.564 1.435 -13.213
810 H GLN 60 H GLN 60 -4.487 2.401 -16.954
811 HA GLN 60 HA GLN 60 -4.271 1.182 -19.353
812 1HB GLN 60 1HB GLN 60 -6.826 2.323 -18.302
813 2HB GLN 60 2HB GLN 60 -6.609 1.257 -19.676
814 1HG GLN 60 1HG GLN 60 -5.828 -0.602 -18.218
815 2HG GLN 60 2HG GLN 60 -5.607 0.548 -16.893
816 1HE2 GLN 60 1HE2 GLN 60 -6.878 -1.652 -16.254
817 2HE2 GLN 60 2HE2 GLN 60 -8.619 -1.635 -16.428
818 H SER 61 H SER 61 -5.351 4.566 -18.860
819 HA SER 61 HA SER 61 -5.837 5.198 -21.593
820 1HB SER 61 1HB SER 61 -5.087 6.951 -19.308
821 2HB SER 61 2HB SER 61 -5.440 7.532 -20.965
822 HG SER 61 HG SER 61 -7.454 6.766 -20.847
823 H ASP 62 H ASP 62 -2.773 4.894 -19.886
824 HA ASP 62 HA ASP 62 -1.192 6.165 -22.085
825 1HB ASP 62 1HB ASP 62 -0.371 6.253 -19.613
826 2HB ASP 62 2HB ASP 62 -0.245 4.553 -19.641
827 H GLN 63 H GLN 63 -1.983 2.788 -20.962
828 HA GLN 63 HA GLN 63 -0.724 1.522 -23.221
829 1HB GLN 63 1HB GLN 63 -3.117 0.692 -21.547
830 2HB GLN 63 2HB GLN 63 -2.253 -0.403 -22.480
831 1HG GLN 63 1HG GLN 63 -0.134 0.023 -21.062
832 2HG GLN 63 2HG GLN 63 -1.351 0.815 -19.954
833 1HE2 GLN 63 1HE2 GLN 63 0.359 -2.026 -20.323
834 2HE2 GLN 63 2HE2 GLN 63 -0.786 -3.120 -19.543
835 H HIS 64 H HIS 64 -2.752 3.701 -23.649
836 HA HIS 64 HA HIS 64 -4.407 4.384 -25.077
837 1HB HIS 64 1HB HIS 64 -3.205 2.337 -26.916
838 2HB HIS 64 2HB HIS 64 -4.159 3.755 -27.392
839 HD1 HIS 64 HD1 HIS 64 -2.222 5.779 -25.587
840 HD2 HIS 64 HD2 HIS 64 -1.295 2.999 -28.515
841 HE1 HIS 64 HE1 HIS 64 0.105 6.463 -26.626
842 H LYS 65 H LYS 65 -5.500 2.128 -23.394
843 HA LYS 65 HA LYS 65 -7.237 0.607 -24.966
844 1HB LYS 65 1HB LYS 65 -7.120 1.316 -21.920
845 2HB LYS 65 2HB LYS 65 -8.225 0.164 -22.717
846 1HG LYS 65 1HG LYS 65 -5.990 -0.928 -23.561
847 2HG LYS 65 2HG LYS 65 -5.160 0.119 -22.408
848 1HD LYS 65 1HD LYS 65 -5.432 -1.559 -20.976
849 2HD LYS 65 2HD LYS 65 -6.899 -0.711 -20.702
850 1HE LYS 65 1HE LYS 65 -7.981 -2.539 -22.517
851 2HE LYS 65 2HE LYS 65 -6.390 -3.237 -22.414
852 1HZ LYS 65 1HZ LYS 65 -7.716 -4.276 -20.749
853 2HZ LYS 65 2HZ LYS 65 -8.482 -2.901 -20.277
854 3HZ LYS 65 3HZ LYS 65 -6.993 -3.195 -19.807
855 H ASP 66 H ASP 66 -7.736 3.912 -24.139
856 HA ASP 66 HA ASP 66 -10.514 3.440 -25.185
857 1HB ASP 66 1HB ASP 66 -11.202 5.340 -23.878
858 2HB ASP 66 2HB ASP 66 -10.408 4.170 -22.747
859 H GLN 67 H GLN 67 -7.566 4.376 -26.068
860 HA GLN 67 HA GLN 67 -8.178 6.802 -27.533
861 1HB GLN 67 1HB GLN 67 -5.923 5.977 -27.106
862 2HB GLN 67 2HB GLN 67 -6.108 4.753 -28.286
863 1HG GLN 67 1HG GLN 67 -6.429 6.311 -30.153
864 2HG GLN 67 2HG GLN 67 -6.376 7.700 -29.021
865 1HE2 GLN 67 1HE2 GLN 67 -4.500 5.470 -30.816
866 2HE2 GLN 67 2HE2 GLN 67 -2.856 5.937 -30.437
867 H SER 68 H SER 68 -8.453 3.471 -28.746
868 HA SER 68 HA SER 68 -8.631 3.632 -31.382
869 1HB SER 68 1HB SER 68 -10.343 1.945 -29.643
870 2HB SER 68 2HB SER 68 -10.060 1.706 -31.438
871 HG SER 68 HG SER 68 -8.151 1.569 -29.208
Start of MODEL 14
1 1H5* G 69 1H5* G 69 10.706 -23.309 -12.169
2 2H5* G 69 2H5* G 69 11.727 -21.919 -12.226
3 H4* G 69 H4* G 69 10.217 -21.993 -14.174
4 H3* G 69 H3* G 69 11.034 -19.610 -12.791
5 H1* G 69 H1* G 69 7.387 -20.228 -13.662
6 H8 G 69 H8 G 69 8.358 -20.288 -10.015
7 H1 G 69 H1 G 69 1.986 -21.192 -10.910
8 1H2 G 69 1H2 G 69 2.895 -21.298 -14.284
9 2H2 G 69 2H2 G 69 1.631 -21.287 -13.081
10 H5T G 69 H5T G 69 10.799 -21.705 -10.178
11 1H2* G 69 1H2* G 69 9.320 -19.230 -11.627
12 2H2* G 69 2H2* G 69 8.795 -18.481 -13.165
13 1H5* C 70 1H5* C 70 8.136 -19.212 -16.989
14 2H5* C 70 2H5* C 70 8.672 -17.488 -17.551
15 H4* C 70 H4* C 70 6.284 -18.006 -17.755
16 H3* C 70 H3* C 70 7.643 -15.627 -16.633
17 H1* C 70 H1* C 70 4.082 -17.051 -15.722
18 1H4 C 70 1H4 C 70 4.764 -17.633 -9.272
19 2H4 C 70 2H4 C 70 3.071 -17.420 -9.824
20 H5 C 70 H5 C 70 6.432 -17.793 -11.031
21 H6 C 70 H6 C 70 6.861 -17.700 -13.441
22 1H2* C 70 1H2* C 70 6.582 -15.845 -14.502
23 2H2* C 70 2H2* C 70 5.209 -15.117 -15.340
24 1H5* T 71 1H5* T 71 3.218 -15.943 -17.558
25 2H5* T 71 2H5* T 71 2.684 -14.605 -18.708
26 H4* T 71 H4* T 71 0.954 -15.405 -17.186
27 H3* T 71 H3* T 71 1.878 -12.572 -17.019
28 1H2* T 71 1H2* T 71 1.969 -12.429 -14.908
29 2H2* T 71 2H2* T 71 0.240 -12.779 -14.775
30 H1* T 71 H1* T 71 0.323 -15.059 -14.505
31 H3 T 71 H3 T 71 1.107 -14.690 -10.201
32 1H5M T 71 1H5M T 71 5.755 -15.081 -11.334
33 2H5M T 71 2H5M T 71 5.894 -14.014 -12.721
34 3H5M T 71 3H5M T 71 5.522 -13.327 -11.108
35 H6 T 71 H6 T 71 3.924 -13.953 -13.941
36 1H5* C 72 1H5* C 72 -2.060 -13.302 -15.088
37 2H5* C 72 2H5* C 72 -3.327 -12.211 -15.876
38 H4* C 72 H4* C 72 -3.792 -12.186 -13.595
39 H3* C 72 H3* C 72 -2.385 -9.757 -14.523
40 H1* C 72 H1* C 72 -2.411 -11.604 -11.084
41 1H4 C 72 1H4 C 72 4.128 -11.491 -10.337
42 2H4 C 72 2H4 C 72 3.514 -11.894 -8.698
43 H5 C 72 H5 C 72 2.906 -11.321 -12.210
44 H6 C 72 H6 C 72 0.650 -11.139 -13.120
45 1H2* C 72 1H2* C 72 -1.056 -9.445 -12.800
46 2H2* C 72 2H2* C 72 -2.380 -9.268 -11.686
47 1H5* T 73 1H5* T 73 -5.070 -8.954 -10.921
48 2H5* T 73 2H5* T 73 -6.045 -7.576 -11.161
49 H4* T 73 H4* T 73 -4.819 -7.215 -8.990
50 H3* T 73 H3* T 73 -4.364 -5.219 -10.934
51 1H2* T 73 1H2* T 73 -2.228 -6.061 -11.430
52 2H2* T 73 2H2* T 73 -1.793 -4.938 -10.149
53 H1* T 73 H1* T 73 -2.021 -6.680 -8.441
54 H3 T 73 H3 T 73 1.943 -8.664 -7.957
55 1H5M T 73 1H5M T 73 2.425 -8.518 -12.754
56 2H5M T 73 2H5M T 73 1.104 -7.469 -13.236
57 3H5M T 73 3H5M T 73 2.617 -6.792 -12.452
58 H6 T 73 H6 T 73 -0.564 -7.182 -11.799
59 1H5* A 74 1H5* A 74 -5.276 -6.376 -6.760
60 2H5* A 74 2H5* A 74 -6.538 -5.620 -5.957
61 H4* A 74 H4* A 74 -5.218 -6.257 -4.324
62 H3* A 74 H3* A 74 -5.393 -3.555 -4.407
63 H1* A 74 H1* A 74 -2.055 -5.501 -3.818
64 H8 A 74 H8 A 74 -2.353 -4.171 -7.505
65 1H6 A 74 1H6 A 74 3.764 -5.294 -7.675
66 2H6 A 74 2H6 A 74 2.385 -5.236 -8.778
67 H2 A 74 H2 A 74 2.472 -6.228 -3.663
68 1H2* A 74 1H2* A 74 -3.361 -3.191 -5.496
69 2H2* A 74 2H2* A 74 -2.711 -2.951 -3.964
70 1H5* A 75 1H5* A 75 -3.176 -5.569 -0.933
71 2H5* A 75 2H5* A 75 -3.392 -4.721 0.655
72 H4* A 75 H4* A 75 -1.290 -5.822 0.224
73 H3* A 75 H3* A 75 -1.596 -3.398 1.448
74 H1* A 75 H1* A 75 1.336 -4.357 -0.870
75 H8 A 75 H8 A 75 -1.329 -2.033 -2.548
76 1H6 A 75 1H6 A 75 3.146 -1.802 -7.042
77 2H6 A 75 2H6 A 75 1.406 -1.623 -6.776
78 H2 A 75 H2 A 75 4.820 -3.604 -3.520
79 1H2* A 75 1H2* A 75 -0.574 -2.159 -0.094
80 2H2* A 75 2H2* A 75 0.888 -2.611 0.666
81 1H5* T 76 1H5* T 76 2.647 -4.229 0.714
82 2H5* T 76 2H5* T 76 2.782 -5.341 2.093
83 H4* T 76 H4* T 76 5.003 -5.133 1.626
84 H3* T 76 H3* T 76 4.434 -3.303 3.607
85 1H2* T 76 1H2* T 76 4.082 -1.477 2.427
86 2H2* T 76 2H2* T 76 5.837 -1.156 2.484
87 H1* T 76 H1* T 76 6.220 -1.953 0.489
88 H3 T 76 H3 T 76 4.755 -0.152 -3.486
89 1H5M T 76 1H5M T 76 0.346 0.004 -1.606
90 2H5M T 76 2H5M T 76 0.834 0.254 0.157
91 3H5M T 76 3H5M T 76 1.141 1.513 -1.003
92 H6 T 76 H6 T 76 2.654 -1.022 0.787
93 1H5* C 77 1H5* C 77 8.570 -3.216 1.416
94 2H5* C 77 2H5* C 77 9.933 -3.168 2.567
95 H4* C 77 H4* C 77 10.649 -1.943 0.741
96 H3* C 77 H3* C 77 10.569 -0.717 3.339
97 H1* C 77 H1* C 77 9.859 0.926 0.203
98 1H4 C 77 1H4 C 77 3.682 3.219 -0.630
99 2H4 C 77 2H4 C 77 4.540 3.155 -2.200
100 H5 C 77 H5 C 77 4.685 2.071 1.364
101 H6 C 77 H6 C 77 6.745 1.066 2.240
102 1H2* C 77 1H2* C 77 8.665 0.690 3.003
103 2H2* C 77 2H2* C 77 9.977 1.691 2.270
104 1H5* C 78 1H5* C 78 12.945 0.898 -0.229
105 2H5* C 78 2H5* C 78 14.603 1.387 0.255
106 H4* C 78 H4* C 78 14.148 2.482 -1.695
107 H3* C 78 H3* C 78 14.810 4.181 0.494
108 H1* C 78 H1* C 78 11.991 5.214 -2.065
109 1H4 C 78 1H4 C 78 6.644 4.824 1.623
110 2H4 C 78 2H4 C 78 6.081 5.591 0.120
111 H5 C 78 H5 C 78 8.666 3.856 2.049
112 H6 C 78 H6 C 78 10.986 3.690 1.099
113 1H2* C 78 1H2* C 78 12.625 5.329 0.713
114 2H2* C 78 2H2* C 78 13.417 6.225 -0.556
115 1H5* C 79 1H5* C 79 13.837 6.105 -3.684
116 2H5* C 79 2H5* C 79 15.216 7.229 -4.154
117 H4* C 79 H4* C 79 13.135 8.338 -4.680
118 H3* C 79 H3* C 79 14.786 9.551 -2.684
119 H1* C 79 H1* C 79 11.196 9.626 -3.294
120 1H4 C 79 1H4 C 79 7.612 7.793 1.874
121 2H4 C 79 2H4 C 79 6.712 8.787 0.741
122 H5 C 79 H5 C 79 10.016 7.278 1.370
123 H6 C 79 H6 C 79 11.818 7.890 -0.040
124 1H2* C 79 1H2* C 79 13.165 9.440 -1.045
125 2H2* C 79 2H2* C 79 12.639 10.925 -1.835
126 1H5* C 80 1H5* C 80 11.315 11.057 -5.576
127 2H5* C 80 2H5* C 80 12.258 12.154 -6.552
128 H4* C 80 H4* C 80 9.887 12.539 -6.720
129 H3* C 80 H3* C 80 11.621 14.506 -6.285
130 H1* C 80 H1* C 80 8.279 14.446 -4.282
131 1H4 C 80 1H4 C 80 9.324 11.226 1.264
132 2H4 C 80 2H4 C 80 7.588 11.658 1.085
133 H5 C 80 H5 C 80 10.977 11.990 -0.304
134 H6 C 80 H6 C 80 11.202 13.096 -2.448
135 1H2* C 80 1H2* C 80 11.209 14.589 -3.831
136 2H2* C 80 2H2* C 80 10.226 15.922 -4.458
137 1H5* G 81 1H5* G 81 7.364 16.305 -6.231
138 2H5* G 81 2H5* G 81 7.196 17.618 -7.538
139 H4* G 81 H4* G 81 6.027 18.477 -5.680
140 H3* G 81 H3* G 81 8.484 19.880 -5.917
141 H1* G 81 H1* G 81 6.680 19.035 -2.801
142 H8 G 81 H8 G 81 10.091 17.652 -2.466
143 H1 G 81 H1 G 81 5.943 14.938 1.590
144 1H2 G 81 1H2 G 81 3.718 16.509 -0.577
145 2H2 G 81 2H2 G 81 3.828 15.563 0.823
146 H3T G 81 H3T G 81 7.372 21.327 -4.527
147 1H2* G 81 1H2* G 81 9.351 18.708 -4.147
148 2H2* G 81 2H2* G 81 8.697 20.178 -3.408
149 1H5* C 82 1H5* C 82 0.039 15.825 7.834
150 2H5* C 82 2H5* C 82 -1.110 14.644 8.151
151 H4* C 82 H4* C 82 -0.648 14.798 5.765
152 H3* C 82 H3* C 82 0.137 12.152 6.951
153 H1* C 82 H1* C 82 1.220 14.227 3.732
154 1H4 C 82 1H4 C 82 7.719 13.496 4.903
155 2H4 C 82 2H4 C 82 7.491 14.582 3.553
156 H5 C 82 H5 C 82 5.747 12.197 5.825
157 H6 C 82 H6 C 82 3.382 12.203 5.996
158 H5T C 82 H5T C 82 1.688 14.202 8.178
159 1H2* C 82 1H2* C 82 1.394 11.586 5.120
160 2H2* C 82 2H2* C 82 0.212 12.182 4.016
161 1H5* G 83 1H5* G 83 -2.319 13.354 3.582
162 2H5* G 83 2H5* G 83 -3.607 12.473 3.026
163 H4* G 83 H4* G 83 -2.561 13.355 1.048
164 H3* G 83 H3* G 83 -3.146 10.846 1.209
165 H1* G 83 H1* G 83 0.288 11.699 -0.227
166 H8 G 83 H8 G 83 0.941 10.284 3.056
167 H1 G 83 H1 G 83 5.979 12.479 -0.257
168 1H2 G 83 1H2 G 83 3.486 13.727 -2.200
169 2H2 G 83 2H2 G 83 5.207 13.320 -1.950
170 1H2* G 83 1H2* G 83 -1.075 10.128 2.014
171 2H2* G 83 2H2* G 83 -0.776 9.766 0.239
172 1H5* G 84 1H5* G 84 -2.139 12.914 -2.912
173 2H5* G 84 2H5* G 84 -3.031 12.324 -4.327
174 H4* G 84 H4* G 84 -0.916 12.993 -5.021
175 H3* G 84 H3* G 84 -2.009 10.473 -5.548
176 H1* G 84 H1* G 84 1.870 11.312 -4.722
177 H8 G 84 H8 G 84 -0.073 9.406 -1.965
178 H1 G 84 H1 G 84 6.353 9.441 -1.481
179 1H2 G 84 1H2 G 84 6.281 11.040 -4.439
180 2H2 G 84 2H2 G 84 7.221 10.700 -3.064
181 1H2* G 84 1H2* G 84 -0.344 9.234 -4.326
182 2H2* G 84 2H2* G 84 0.805 9.499 -5.633
183 1H5* G 85 1H5* G 85 1.887 11.121 -7.685
184 2H5* G 85 2H5* G 85 1.633 10.988 -9.493
185 H4* G 85 H4* G 85 3.795 10.158 -9.141
186 H3* G 85 H3* G 85 1.806 8.224 -9.781
187 H1* G 85 H1* G 85 4.295 7.709 -7.308
188 H8 G 85 H8 G 85 1.239 7.272 -5.157
189 H1 G 85 H1 G 85 6.972 6.187 -2.257
190 1H2 G 85 1H2 G 85 8.248 7.658 -5.025
191 2H2 G 85 2H2 G 85 8.497 6.710 -3.529
192 1H2* G 85 1H2* G 85 1.340 7.740 -7.509
193 2H2* G 85 2H2* G 85 2.511 6.378 -7.899
194 1H5* G 86 1H5* G 86 6.312 7.933 -9.192
195 2H5* G 86 2H5* G 86 6.884 8.704 -10.719
196 H4* G 86 H4* G 86 8.725 7.631 -10.267
197 H3* G 86 H3* G 86 7.508 6.010 -12.158
198 H1* G 86 H1* G 86 8.333 4.325 -8.719
199 H8 G 86 H8 G 86 4.763 5.269 -9.207
200 H1 G 86 H1 G 86 6.329 3.307 -3.195
201 1H2 G 86 1H2 G 86 9.250 2.794 -4.840
202 2H2 G 86 2H2 G 86 8.462 2.782 -3.250
203 1H2* G 86 1H2* G 86 6.144 4.680 -10.808
204 2H2* G 86 2H2* G 86 7.608 3.707 -10.766
205 1H5* A 87 1H5* A 87 11.088 3.772 -9.793
206 2H5* A 87 2H5* A 87 11.929 2.673 -10.932
207 H4* A 87 H4* A 87 11.684 1.550 -8.877
208 H3* A 87 H3* A 87 11.031 0.594 -11.290
209 H1* A 87 H1* A 87 9.112 -0.152 -8.327
210 H8 A 87 H8 A 87 6.482 1.539 -10.549
211 1H6 A 87 1H6 A 87 3.024 1.271 -5.370
212 2H6 A 87 2H6 A 87 2.901 1.400 -7.144
213 H2 A 87 H2 A 87 6.801 -0.033 -4.375
214 1H2* A 87 1H2* A 87 8.697 0.928 -11.120
215 2H2* A 87 2H2* A 87 8.708 -0.783 -10.619
216 1H5* T 88 1H5* T 88 13.004 -0.456 -7.524
217 2H5* T 88 2H5* T 88 14.208 -1.628 -7.158
218 H4* T 88 H4* T 88 12.381 -1.699 -5.704
219 H3* T 88 H3* T 88 12.860 -4.032 -7.421
220 1H2* T 88 1H2* T 88 10.619 -4.147 -7.968
221 2H2* T 88 2H2* T 88 10.314 -4.792 -6.242
222 H1* T 88 H1* T 88 9.963 -2.833 -5.240
223 H3 T 88 H3 T 88 5.540 -2.589 -5.715
224 1H5M T 88 1H5M T 88 6.086 -3.857 -10.302
225 2H5M T 88 2H5M T 88 6.522 -2.143 -10.754
226 3H5M T 88 3H5M T 88 7.757 -3.452 -10.542
227 H6 T 88 H6 T 88 9.149 -2.833 -8.869
228 1H5* T 89 1H5* T 89 11.220 -3.656 -3.250
229 2H5* T 89 2H5* T 89 12.044 -4.826 -2.278
230 H4* T 89 H4* T 89 10.014 -4.157 -1.291
231 H3* T 89 H3* T 89 11.016 -6.850 -1.342
232 1H2* T 89 1H2* T 89 9.863 -7.453 -3.208
233 2H2* T 89 2H2* T 89 8.701 -7.963 -1.992
234 H1* T 89 H1* T 89 7.391 -6.267 -2.013
235 H3 T 89 H3 T 89 4.510 -5.881 -5.510
236 1H5M T 89 1H5M T 89 8.334 -7.262 -8.328
237 2H5M T 89 2H5M T 89 8.390 -5.507 -8.366
238 3H5M T 89 3H5M T 89 9.576 -6.332 -7.435
239 H6 T 89 H6 T 89 9.277 -6.250 -5.097
240 1H5* A 90 1H5* A 90 6.457 -6.543 0.148
241 2H5* A 90 2H5* A 90 6.451 -7.260 1.762
242 H4* A 90 H4* A 90 4.480 -7.956 1.006
243 H3* A 90 H3* A 90 6.329 -10.032 1.360
244 H1* A 90 H1* A 90 3.813 -9.814 -1.313
245 H8 A 90 H8 A 90 7.176 -9.674 -2.952
246 1H6 A 90 1H6 A 90 3.965 -9.088 -8.276
247 2H6 A 90 2H6 A 90 5.589 -9.370 -7.717
248 H2 A 90 H2 A 90 1.144 -8.911 -5.155
249 1H2* A 90 1H2* A 90 6.810 -10.275 -0.892
250 2H2* A 90 2H2* A 90 5.462 -11.479 -0.770
251 1H5* G 91 1H5* G 91 1.959 -10.540 1.596
252 2H5* G 91 2H5* G 91 1.001 -11.641 2.598
253 H4* G 91 H4* G 91 0.102 -11.303 0.245
254 H3* G 91 H3* G 91 0.566 -14.026 1.362
255 H1* G 91 H1* G 91 0.309 -12.719 -2.019
256 H8 G 91 H8 G 91 3.984 -13.450 -1.760
257 H1 G 91 H1 G 91 1.575 -12.273 -7.654
258 1H2 G 91 1H2 G 91 -1.172 -11.618 -5.780
259 2H2 G 91 2H2 G 91 -0.426 -11.414 -7.367
260 1H2* G 91 1H2* G 91 2.371 -14.168 -0.177
261 2H2* G 91 2H2* G 91 1.080 -14.924 -1.179
262 1H5* A 92 1H5* A 92 -3.364 -13.180 -1.672
263 2H5* A 92 2H5* A 92 -4.425 -14.157 -0.646
264 H4* A 92 H4* A 92 -5.246 -14.140 -2.898
265 H3* A 92 H3* A 92 -4.728 -16.707 -1.857
266 H1* A 92 H1* A 92 -3.658 -15.712 -5.426
267 H8 A 92 H8 A 92 -0.969 -15.833 -3.033
268 1H6 A 92 1H6 A 92 2.735 -15.270 -7.925
269 2H6 A 92 2H6 A 92 2.623 -15.898 -6.289
270 H2 A 92 H2 A 92 -1.376 -14.620 -9.314
271 1H2* A 92 1H2* A 92 -2.832 -16.905 -2.866
272 2H2* A 92 2H2* A 92 -3.716 -17.698 -4.117
273 1H5* G 93 1H5* G 93 -5.874 -15.161 -6.489
274 2H5* G 93 2H5* G 93 -7.195 -16.110 -6.669
275 H4* G 93 H4* G 93 -6.393 -15.584 -8.778
276 H3* G 93 H3* G 93 -7.065 -18.084 -7.979
277 H1* G 93 H1* G 93 -3.994 -17.516 -10.149
278 H8 G 93 H8 G 93 -3.259 -18.301 -6.599
279 H1 G 93 H1 G 93 1.926 -18.344 -10.524
280 1H2 G 93 1H2 G 93 -0.226 -17.376 -12.767
281 2H2 G 93 2H2 G 93 1.417 -17.784 -12.367
282 1H2* G 93 1H2* G 93 -4.930 -18.829 -7.587
283 2H2* G 93 2H2* G 93 -5.053 -19.489 -9.105
284 1H5* C 94 1H5* C 94 -4.922 -17.704 -12.227
285 2H5* C 94 2H5* C 94 -6.172 -18.263 -13.407
286 H4* C 94 H4* C 94 -4.116 -18.639 -14.341
287 H3* C 94 H3* C 94 -5.885 -20.765 -13.789
288 H1* C 94 H1* C 94 -2.134 -20.762 -13.703
289 1H4 C 94 1H4 C 94 0.044 -22.227 -7.573
290 2H4 C 94 2H4 C 94 1.386 -22.099 -8.667
291 H5 C 94 H5 C 94 -2.268 -21.394 -8.229
292 H6 C 94 H6 C 94 -3.650 -20.982 -10.059
293 H3T C 94 H3T C 94 -4.756 -20.274 -15.912
294 1H2* C 94 1H2* C 94 -4.470 -21.614 -11.999
295 2H2* C 94 2H2* C 94 -3.767 -22.528 -13.301
296 1H GLY 1 1H GLY 1 3.062 -13.762 3.428
297 2H GLY 1 2H GLY 1 3.675 -15.286 3.833
298 3H GLY 1 3H GLY 1 4.624 -14.014 3.287
299 1HA GLY 1 1HA GLY 1 4.889 -14.315 5.712
300 2HA GLY 1 2HA GLY 1 4.435 -12.755 5.176
301 HA PRO 2 HA PRO 2 0.525 -13.900 7.181
302 1HB PRO 2 1HB PRO 2 0.708 -13.531 9.909
303 2HB PRO 2 2HB PRO 2 1.146 -15.146 9.172
304 1HG PRO 2 1HG PRO 2 3.016 -12.997 10.132
305 2HG PRO 2 2HG PRO 2 3.164 -14.687 10.200
306 1HD PRO 2 1HD PRO 2 4.358 -13.227 8.371
307 2HD PRO 2 2HD PRO 2 3.756 -14.943 8.095
308 H ARG 3 H ARG 3 2.778 -11.109 7.829
309 HA ARG 3 HA ARG 3 0.810 -9.641 9.319
310 1HB ARG 3 1HB ARG 3 3.355 -9.450 9.808
311 2HB ARG 3 2HB ARG 3 3.607 -8.805 8.220
312 1HG ARG 3 1HG ARG 3 1.649 -7.369 9.931
313 2HG ARG 3 2HG ARG 3 3.285 -7.407 10.528
314 1HD ARG 3 1HD ARG 3 4.092 -6.110 8.692
315 2HD ARG 3 2HD ARG 3 2.692 -6.575 7.769
316 HE ARG 3 HE ARG 3 3.042 -4.374 9.539
317 1HH1 ARG 3 2HH1 ARG 3 0.346 -6.225 8.039
318 2HH1 ARG 3 1HH1 ARG 3 -0.538 -4.660 7.933
319 1HH2 ARG 3 2HH2 ARG 3 1.212 -2.727 9.768
320 2HH2 ARG 3 1HH2 ARG 3 0.047 -2.855 8.510
321 H ARG 4 H ARG 4 1.997 -9.606 5.825
322 HA ARG 4 HA ARG 4 0.975 -7.154 4.868
323 1HB ARG 4 1HB ARG 4 1.577 -9.888 3.957
324 2HB ARG 4 2HB ARG 4 0.236 -8.993 3.089
325 1HG ARG 4 1HG ARG 4 2.718 -8.749 2.176
326 2HG ARG 4 2HG ARG 4 1.941 -7.276 2.569
327 1HD ARG 4 1HD ARG 4 3.742 -8.598 4.694
328 2HD ARG 4 2HD ARG 4 4.402 -7.954 3.164
329 HE ARG 4 HE ARG 4 2.456 -6.145 4.158
330 1HH1 ARG 4 2HH2 ARG 4 5.741 -6.853 5.130
331 2HH1 ARG 4 1HH2 ARG 4 5.647 -5.612 6.353
332 1HH2 ARG 4 2HH1 ARG 4 2.548 -4.611 5.354
333 2HH2 ARG 4 1HH1 ARG 4 3.978 -4.281 6.378
334 H THR 5 H THR 5 -0.760 -6.224 4.288
335 HA THR 5 HA THR 5 -2.858 -6.730 5.973
336 HB THR 5 HB THR 5 -1.904 -4.586 4.856
337 HG1 THR 5 HG1 THR 5 -3.939 -3.567 5.452
338 1HG2 THR 5 1HG2 THR 5 -2.587 -5.195 2.630
339 2HG2 THR 5 2HG2 THR 5 -2.999 -3.589 3.249
340 3HG2 THR 5 3HG2 THR 5 -4.237 -4.899 3.070
341 H ARG 6 H ARG 6 -2.521 -7.900 3.022
342 HA ARG 6 HA ARG 6 -3.770 -8.785 1.415
343 1HB ARG 6 1HB ARG 6 -4.522 -10.160 3.970
344 2HB ARG 6 2HB ARG 6 -5.684 -10.415 2.778
345 1HG ARG 6 1HG ARG 6 -4.194 -12.142 3.003
346 2HG ARG 6 2HG ARG 6 -4.167 -11.610 1.387
347 1HD ARG 6 1HD ARG 6 -1.800 -12.026 2.027
348 2HD ARG 6 2HD ARG 6 -2.009 -10.308 2.437
349 HE ARG 6 HE ARG 6 -1.998 -10.916 4.766
350 1HH1 ARG 6 2HH1 ARG 6 -2.570 -13.697 2.996
351 2HH1 ARG 6 1HH1 ARG 6 -2.726 -14.679 4.466
352 1HH2 ARG 6 2HH2 ARG 6 -1.450 -12.247 6.536
353 2HH2 ARG 6 1HH2 ARG 6 -2.076 -13.817 6.399
354 H THR 7 H THR 7 -6.277 -8.209 3.715
355 HA THR 7 HA THR 7 -8.563 -7.672 3.393
356 HB THR 7 HB THR 7 -7.003 -5.243 2.856
357 HG1 THR 7 HG1 THR 7 -6.546 -6.188 4.723
358 1HG2 THR 7 1HG2 THR 7 -9.360 -4.736 2.247
359 2HG2 THR 7 2HG2 THR 7 -9.208 -4.298 3.978
360 3HG2 THR 7 3HG2 THR 7 -9.956 -5.847 3.491
361 H THR 8 H THR 8 -9.930 -8.468 1.954
362 HA THR 8 HA THR 8 -9.802 -7.940 -0.839
363 HB THR 8 HB THR 8 -11.868 -9.482 0.638
364 HG1 THR 8 HG1 THR 8 -10.283 -10.627 0.793
365 1HG2 THR 8 1HG2 THR 8 -12.864 -8.885 -1.394
366 2HG2 THR 8 2HG2 THR 8 -12.113 -10.439 -1.750
367 3HG2 THR 8 3HG2 THR 8 -11.330 -8.965 -2.304
368 H PHE 9 H PHE 9 -10.524 -5.904 -1.623
369 HA PHE 9 HA PHE 9 -12.518 -4.382 -0.152
370 1HB PHE 9 1HB PHE 9 -11.125 -4.046 -2.813
371 2HB PHE 9 2HB PHE 9 -12.347 -2.892 -2.284
372 HD1 PHE 9 HD1 PHE 9 -9.200 -4.334 -0.819
373 HD2 PHE 9 HD2 PHE 9 -11.740 -0.911 -1.340
374 HE1 PHE 9 HE1 PHE 9 -7.584 -2.982 0.353
375 HE2 PHE 9 HE2 PHE 9 -10.256 0.458 -0.094
376 HZ PHE 9 HZ PHE 9 -7.960 -0.383 0.593
377 H THR 10 H THR 10 -14.680 -4.279 -0.516
378 HA THR 10 HA THR 10 -15.658 -5.795 -2.776
379 HB THR 10 HB THR 10 -17.759 -6.303 -1.424
380 HG1 THR 10 HG1 THR 10 -17.961 -5.436 0.587
381 1HG2 THR 10 1HG2 THR 10 -15.336 -6.671 0.374
382 2HG2 THR 10 2HG2 THR 10 -15.847 -7.659 -0.950
383 3HG2 THR 10 3HG2 THR 10 -16.857 -7.523 0.523
384 H SER 11 H SER 11 -17.774 -4.875 -3.778
385 HA SER 11 HA SER 11 -17.530 -2.374 -4.734
386 1HB SER 11 1HB SER 11 -19.980 -4.039 -4.405
387 2HB SER 11 2HB SER 11 -19.840 -2.704 -5.517
388 HG SER 11 HG SER 11 -18.101 -3.590 -6.478
389 H SER 12 H SER 12 -19.407 -3.294 -1.925
390 HA SER 12 HA SER 12 -20.558 -0.755 -1.466
391 1HB SER 12 1HB SER 12 -20.554 -1.331 1.065
392 2HB SER 12 2HB SER 12 -21.451 -2.520 0.105
393 HG SER 12 HG SER 12 -19.802 -3.806 0.217
394 H GLN 13 H GLN 13 -17.560 -2.027 -0.386
395 HA GLN 13 HA GLN 13 -16.501 0.339 0.934
396 1HB GLN 13 1HB GLN 13 -15.056 -2.021 -0.224
397 2HB GLN 13 2HB GLN 13 -14.430 -0.745 0.881
398 1HG GLN 13 1HG GLN 13 -16.311 -1.318 2.425
399 2HG GLN 13 2HG GLN 13 -16.576 -2.823 1.553
400 1HE2 GLN 13 1HE2 GLN 13 -15.197 -1.734 4.105
401 2HE2 GLN 13 2HE2 GLN 13 -13.779 -2.691 4.357
402 H ILE 14 H ILE 14 -16.123 -0.791 -2.276
403 HA ILE 14 HA ILE 14 -14.564 1.482 -3.239
404 HB ILE 14 HB ILE 14 -16.314 -0.453 -4.855
405 1HG1 ILE 14 1HG1 ILE 14 -13.314 -0.403 -4.385
406 2HG1 ILE 14 2HG1 ILE 14 -14.406 -1.292 -3.497
407 1HG2 ILE 14 1HG2 ILE 14 -15.721 1.623 -6.254
408 2HG2 ILE 14 2HG2 ILE 14 -14.043 1.429 -5.645
409 3HG2 ILE 14 3HG2 ILE 14 -14.888 0.280 -6.788
410 1HD1 ILE 14 1HD1 ILE 14 -13.827 -1.922 -6.332
411 2HD1 ILE 14 2HD1 ILE 14 -13.574 -2.827 -4.972
412 3HD1 ILE 14 3HD1 ILE 14 -15.299 -2.616 -5.477
413 H ALA 15 H ALA 15 -17.946 0.998 -2.906
414 HA ALA 15 HA ALA 15 -18.698 3.261 -4.472
415 1HB ALA 15 1HB ALA 15 -20.794 3.032 -3.222
416 2HB ALA 15 2HB ALA 15 -20.308 1.440 -4.019
417 3HB ALA 15 3HB ALA 15 -20.063 1.723 -2.278
418 H GLU 16 H GLU 16 -18.277 2.638 -0.907
419 HA GLU 16 HA GLU 16 -18.786 5.166 0.096
420 1HB GLU 16 1HB GLU 16 -17.143 2.703 0.782
421 2HB GLU 16 2HB GLU 16 -16.662 4.161 1.520
422 1HG GLU 16 1HG GLU 16 -17.790 3.786 3.083
423 2HG GLU 16 2HG GLU 16 -19.341 4.139 2.030
424 H LEU 17 H LEU 17 -15.703 3.641 -0.860
425 HA LEU 17 HA LEU 17 -14.087 5.738 -0.422
426 1HB LEU 17 1HB LEU 17 -13.914 3.238 -2.279
427 2HB LEU 17 2HB LEU 17 -12.660 4.458 -2.416
428 HG LEU 17 HG LEU 17 -13.590 3.241 0.183
429 1HD1 LEU 17 1HD1 LEU 17 -12.237 1.710 -1.340
430 2HD1 LEU 17 2HD1 LEU 17 -12.394 1.782 0.459
431 3HD1 LEU 17 3HD1 LEU 17 -10.893 2.374 -0.438
432 1HD2 LEU 17 1HD2 LEU 17 -11.005 4.942 -0.480
433 2HD2 LEU 17 2HD2 LEU 17 -11.288 4.127 0.993
434 3HD2 LEU 17 3HD2 LEU 17 -12.399 5.377 0.662
435 H GLU 18 H GLU 18 -15.451 4.926 -3.602
436 HA GLU 18 HA GLU 18 -14.518 7.257 -4.964
437 1HB GLU 18 1HB GLU 18 -17.014 5.577 -5.445
438 2HB GLU 18 2HB GLU 18 -16.373 6.883 -6.500
439 1HG GLU 18 1HG GLU 18 -14.175 5.597 -6.616
440 2HG GLU 18 2HG GLU 18 -15.000 4.255 -5.860
441 H GLN 19 H GLN 19 -17.670 6.757 -2.992
442 HA GLN 19 HA GLN 19 -18.554 9.279 -4.105
443 1HB GLN 19 1HB GLN 19 -19.658 7.408 -1.983
444 2HB GLN 19 2HB GLN 19 -20.245 9.054 -2.067
445 1HG GLN 19 1HG GLN 19 -21.753 7.856 -3.421
446 2HG GLN 19 2HG GLN 19 -20.827 9.057 -4.314
447 1HE2 GLN 19 1HE2 GLN 19 -19.161 8.004 -5.900
448 2HE2 GLN 19 2HE2 GLN 19 -19.381 6.352 -6.425
449 H HIS 20 H HIS 20 -16.851 8.431 -0.872
450 HA HIS 20 HA HIS 20 -16.970 11.187 -0.074
451 1HB HIS 20 1HB HIS 20 -15.682 8.636 0.752
452 2HB HIS 20 2HB HIS 20 -15.531 10.129 1.691
453 HD1 HIS 20 HD1 HIS 20 -18.441 11.214 2.102
454 HD2 HIS 20 HD2 HIS 20 -17.592 7.060 1.611
455 HE1 HIS 20 HE1 HIS 20 -20.345 9.907 3.005
456 H PHE 21 H PHE 21 -14.615 9.243 -1.906
457 HA PHE 21 HA PHE 21 -12.571 11.171 -2.193
458 1HB PHE 21 1HB PHE 21 -11.965 9.188 -3.018
459 2HB PHE 21 2HB PHE 21 -13.570 8.826 -3.777
460 HD1 PHE 21 HD1 PHE 21 -13.995 9.978 -5.819
461 HD2 PHE 21 HD2 PHE 21 -10.178 10.240 -4.173
462 HE1 PHE 21 HE1 PHE 21 -13.269 10.870 -8.028
463 HE2 PHE 21 HE2 PHE 21 -9.218 10.990 -6.439
464 HZ PHE 21 HZ PHE 21 -10.712 11.362 -8.359
465 H LEU 22 H LEU 22 -15.598 10.823 -4.244
466 HA LEU 22 HA LEU 22 -15.248 12.874 -5.867
467 1HB LEU 22 1HB LEU 22 -17.823 12.165 -4.467
468 2HB LEU 22 2HB LEU 22 -17.738 13.235 -5.710
469 HG LEU 22 HG LEU 22 -17.286 10.203 -5.969
470 1HD1 LEU 22 1HD1 LEU 22 -19.463 10.238 -7.150
471 2HD1 LEU 22 2HD1 LEU 22 -19.449 12.023 -7.036
472 3HD1 LEU 22 3HD1 LEU 22 -19.616 11.039 -5.643
473 1HD2 LEU 22 1HD2 LEU 22 -15.819 11.142 -7.495
474 2HD2 LEU 22 2HD2 LEU 22 -17.243 12.135 -8.231
475 3HD2 LEU 22 3HD2 LEU 22 -17.179 10.515 -8.418
476 H GLN 23 H GLN 23 -16.346 13.222 -2.507
477 HA GLN 23 HA GLN 23 -16.433 16.173 -2.397
478 1HB GLN 23 1HB GLN 23 -16.404 14.141 -0.177
479 2HB GLN 23 2HB GLN 23 -17.002 15.906 -0.143
480 1HG GLN 23 1HG GLN 23 -18.192 13.217 -1.067
481 2HG GLN 23 2HG GLN 23 -18.857 14.368 0.079
482 1HE2 GLN 23 1HE2 GLN 23 -19.302 12.852 -2.435
483 2HE2 GLN 23 2HE2 GLN 23 -20.395 13.932 -3.361
484 H GLY 24 H GLY 24 -13.910 14.197 -2.465
485 1HA GLY 24 1HA GLY 24 -11.924 16.299 -1.935
486 2HA GLY 24 2HA GLY 24 -11.927 14.997 -0.746
487 H ARG 25 H ARG 25 -11.215 15.645 -4.183
488 HA ARG 25 HA ARG 25 -10.649 12.945 -4.768
489 1HB ARG 25 1HB ARG 25 -9.562 15.328 -6.139
490 2HB ARG 25 2HB ARG 25 -9.599 13.829 -6.794
491 1HG ARG 25 1HG ARG 25 -12.227 13.901 -6.594
492 2HG ARG 25 2HG ARG 25 -12.093 15.575 -6.130
493 1HD ARG 25 1HD ARG 25 -10.995 15.943 -8.314
494 2HD ARG 25 2HD ARG 25 -11.364 14.144 -8.782
495 HE ARG 25 HE ARG 25 -13.522 14.562 -8.962
496 1HH1 ARG 25 2HH1 ARG 25 -12.039 17.727 -8.409
497 2HH1 ARG 25 1HH1 ARG 25 -13.218 18.429 -9.522
498 1HH2 ARG 25 2HH2 ARG 25 -15.115 15.746 -9.751
499 2HH2 ARG 25 1HH2 ARG 25 -14.862 17.474 -10.047
500 H TYR 26 H TYR 26 -8.564 15.040 -2.877
501 HA TYR 26 HA TYR 26 -6.660 12.760 -2.900
502 1HB TYR 26 1HB TYR 26 -6.156 15.697 -2.062
503 2HB TYR 26 2HB TYR 26 -5.032 14.556 -2.222
504 HD1 TYR 26 HD1 TYR 26 -3.920 14.046 -4.384
505 HD2 TYR 26 HD2 TYR 26 -7.408 16.505 -4.255
506 HE1 TYR 26 HE1 TYR 26 -3.563 14.689 -6.716
507 HE2 TYR 26 HE2 TYR 26 -6.956 17.465 -6.443
508 HH TYR 26 HH TYR 26 -4.189 16.454 -8.406
509 H LEU 27 H LEU 27 -5.898 12.005 -0.967
510 HA LEU 27 HA LEU 27 -7.792 12.371 1.282
511 1HB LEU 27 1HB LEU 27 -5.471 10.473 0.488
512 2HB LEU 27 2HB LEU 27 -5.536 10.915 2.143
513 HG LEU 27 HG LEU 27 -7.537 9.189 0.646
514 1HD1 LEU 27 1HD1 LEU 27 -5.891 9.155 3.260
515 2HD1 LEU 27 2HD1 LEU 27 -5.609 8.352 1.753
516 3HD1 LEU 27 3HD1 LEU 27 -7.039 7.862 2.733
517 1HD2 LEU 27 1HD2 LEU 27 -9.037 9.336 2.635
518 2HD2 LEU 27 2HD2 LEU 27 -8.927 10.664 1.591
519 3HD2 LEU 27 3HD2 LEU 27 -7.982 10.759 3.127
520 H THR 28 H THR 28 -7.482 13.081 3.042
521 HA THR 28 HA THR 28 -4.858 14.028 4.117
522 HB THR 28 HB THR 28 -6.109 16.074 4.994
523 HG1 THR 28 HG1 THR 28 -8.183 16.470 3.931
524 1HG2 THR 28 1HG2 THR 28 -6.494 15.987 2.016
525 2HG2 THR 28 2HG2 THR 28 -4.873 15.958 2.967
526 3HG2 THR 28 3HG2 THR 28 -5.995 17.274 3.086
527 H ALA 29 H ALA 29 -4.913 14.046 6.454
528 HA ALA 29 HA ALA 29 -5.950 11.755 7.658
529 1HB ALA 29 1HB ALA 29 -5.463 14.254 9.318
530 2HB ALA 29 2HB ALA 29 -5.358 12.432 9.832
531 3HB ALA 29 3HB ALA 29 -4.212 13.262 8.769
532 HA PRO 30 HA PRO 30 -10.018 13.668 9.078
533 1HB PRO 30 1HB PRO 30 -11.185 15.690 7.403
534 2HB PRO 30 2HB PRO 30 -10.478 15.915 8.980
535 1HG PRO 30 1HG PRO 30 -9.186 16.480 6.290
536 2HG PRO 30 2HG PRO 30 -8.911 17.302 7.813
537 1HD PRO 30 1HD PRO 30 -7.298 15.376 6.630
538 2HD PRO 30 2HD PRO 30 -7.380 15.676 8.439
539 H ARG 31 H ARG 31 -9.301 13.598 5.584
540 HA ARG 31 HA ARG 31 -11.855 12.782 4.721
541 1HB ARG 31 1HB ARG 31 -9.093 12.857 3.567
542 2HB ARG 31 2HB ARG 31 -10.258 11.877 2.698
543 1HG ARG 31 1HG ARG 31 -9.880 14.123 1.777
544 2HG ARG 31 2HG ARG 31 -11.450 13.614 1.936
545 1HD ARG 31 1HD ARG 31 -11.981 15.146 3.623
546 2HD ARG 31 2HD ARG 31 -10.397 15.351 4.262
547 HE ARG 31 HE ARG 31 -9.878 16.910 2.603
548 1HH1 ARG 31 2HH1 ARG 31 -12.927 15.523 1.576
549 2HH1 ARG 31 1HH1 ARG 31 -13.302 16.806 0.497
550 1HH2 ARG 31 2HH2 ARG 31 -10.075 18.124 0.964
551 2HH2 ARG 31 1HH2 ARG 31 -11.737 18.451 0.363
552 H LEU 32 H LEU 32 -8.612 11.184 5.272
553 HA LEU 32 HA LEU 32 -9.073 8.425 4.963
554 1HB LEU 32 1HB LEU 32 -6.968 9.931 4.897
555 2HB LEU 32 2HB LEU 32 -7.046 10.068 6.608
556 HG LEU 32 HG LEU 32 -6.366 7.697 4.851
557 1HD1 LEU 32 1HD1 LEU 32 -4.668 7.360 6.579
558 2HD1 LEU 32 2HD1 LEU 32 -5.447 8.418 7.782
559 3HD1 LEU 32 3HD1 LEU 32 -4.763 9.075 6.266
560 1HD2 LEU 32 1HD2 LEU 32 -8.036 6.376 5.878
561 2HD2 LEU 32 2HD2 LEU 32 -7.657 7.239 7.480
562 3HD2 LEU 32 3HD2 LEU 32 -6.571 6.190 6.937
563 H ALA 33 H ALA 33 -9.067 10.244 8.047
564 HA ALA 33 HA ALA 33 -9.902 8.263 9.577
565 1HB ALA 33 1HB ALA 33 -10.819 10.041 11.238
566 2HB ALA 33 2HB ALA 33 -9.226 10.104 10.735
567 3HB ALA 33 3HB ALA 33 -10.436 11.163 9.933
568 H ASP 34 H ASP 34 -12.029 10.639 7.873
569 HA ASP 34 HA ASP 34 -14.340 9.487 9.172
570 1HB ASP 34 1HB ASP 34 -14.074 11.923 8.269
571 2HB ASP 34 2HB ASP 34 -14.093 11.256 6.662
572 H LEU 35 H LEU 35 -13.003 8.943 5.953
573 HA LEU 35 HA LEU 35 -15.068 7.291 5.121
574 1HB LEU 35 1HB LEU 35 -12.898 8.405 3.955
575 2HB LEU 35 2HB LEU 35 -12.243 6.757 4.128
576 HG LEU 35 HG LEU 35 -13.547 5.944 2.481
577 1HD1 LEU 35 1HD1 LEU 35 -15.630 7.794 3.062
578 2HD1 LEU 35 2HD1 LEU 35 -15.567 6.089 3.507
579 3HD1 LEU 35 3HD1 LEU 35 -15.449 6.534 1.719
580 1HD2 LEU 35 1HD2 LEU 35 -13.667 8.907 1.836
581 2HD2 LEU 35 2HD2 LEU 35 -13.825 7.570 0.731
582 3HD2 LEU 35 3HD2 LEU 35 -12.269 7.696 1.486
583 H SER 36 H SER 36 -11.978 6.642 6.946
584 HA SER 36 HA SER 36 -12.158 3.826 6.736
585 1HB SER 36 1HB SER 36 -9.996 4.659 7.448
586 2HB SER 36 2HB SER 36 -10.827 5.798 8.571
587 HG SER 36 HG SER 36 -10.331 2.999 8.990
588 H ALA 37 H ALA 37 -13.539 5.951 8.980
589 HA ALA 37 HA ALA 37 -14.748 4.248 10.789
590 1HB ALA 37 1HB ALA 37 -14.345 6.502 11.163
591 2HB ALA 37 2HB ALA 37 -15.470 6.977 9.947
592 3HB ALA 37 3HB ALA 37 -16.044 6.217 11.529
593 H LYS 38 H LYS 38 -16.215 5.650 7.782
594 HA LYS 38 HA LYS 38 -18.582 3.980 7.957
595 1HB LYS 38 1HB LYS 38 -17.481 5.978 5.968
596 2HB LYS 38 2HB LYS 38 -18.945 5.081 5.516
597 1HG LYS 38 1HG LYS 38 -19.835 5.800 7.821
598 2HG LYS 38 2HG LYS 38 -18.525 7.050 7.702
599 1HD LYS 38 1HD LYS 38 -20.628 7.883 7.049
600 2HD LYS 38 2HD LYS 38 -19.560 7.902 5.741
601 1HE LYS 38 1HE LYS 38 -20.763 5.995 4.735
602 2HE LYS 38 2HE LYS 38 -21.861 5.888 6.258
603 1HZ LYS 38 1HZ LYS 38 -21.886 8.434 5.113
604 2HZ LYS 38 2HZ LYS 38 -22.967 7.529 5.681
605 3HZ LYS 38 3HZ LYS 38 -22.538 7.285 4.106
606 H LEU 39 H LEU 39 -15.744 3.780 5.897
607 HA LEU 39 HA LEU 39 -16.472 1.376 4.498
608 1HB LEU 39 1HB LEU 39 -13.846 2.683 5.345
609 2HB LEU 39 2HB LEU 39 -13.841 1.198 4.476
610 HG LEU 39 HG LEU 39 -15.120 3.747 3.223
611 1HD1 LEU 39 1HD1 LEU 39 -12.998 4.085 2.253
612 2HD1 LEU 39 2HD1 LEU 39 -12.345 2.528 2.769
613 3HD1 LEU 39 3HD1 LEU 39 -12.662 3.892 3.922
614 1HD2 LEU 39 1HD2 LEU 39 -14.005 1.215 2.050
615 2HD2 LEU 39 2HD2 LEU 39 -15.167 2.498 1.354
616 3HD2 LEU 39 3HD2 LEU 39 -15.702 1.226 2.536
617 H ALA 40 H ALA 40 -15.266 1.964 7.739
618 HA ALA 40 HA ALA 40 -14.346 0.769 9.337
619 1HB ALA 40 1HB ALA 40 -15.792 -1.757 8.379
620 2HB ALA 40 2HB ALA 40 -15.484 -1.309 10.009
621 3HB ALA 40 3HB ALA 40 -16.653 -0.428 9.163
622 H LEU 41 H LEU 41 -12.690 1.227 7.335
623 HA LEU 41 HA LEU 41 -11.045 -1.225 7.154
624 1HB LEU 41 1HB LEU 41 -11.353 1.090 5.550
625 2HB LEU 41 2HB LEU 41 -9.851 0.196 5.108
626 HG LEU 41 HG LEU 41 -12.761 -0.866 4.842
627 1HD1 LEU 41 1HD1 LEU 41 -10.674 -0.846 2.593
628 2HD1 LEU 41 2HD1 LEU 41 -11.723 0.666 2.992
629 3HD1 LEU 41 3HD1 LEU 41 -12.440 -0.819 2.562
630 1HD2 LEU 41 1HD2 LEU 41 -10.228 -2.426 4.423
631 2HD2 LEU 41 2HD2 LEU 41 -11.892 -2.930 3.876
632 3HD2 LEU 41 3HD2 LEU 41 -11.474 -2.726 5.593
633 H GLY 42 H GLY 42 -8.738 -1.171 7.458
634 1HA GLY 42 1HA GLY 42 -7.614 0.437 9.502
635 2HA GLY 42 2HA GLY 42 -6.758 -0.463 8.454
636 H THR 43 H THR 43 -6.600 2.439 9.420
637 HA THR 43 HA THR 43 -7.139 4.331 7.478
638 HB THR 43 HB THR 43 -5.210 5.680 8.389
639 HG1 THR 43 HG1 THR 43 -4.565 4.609 10.366
640 1HG2 THR 43 1HG2 THR 43 -7.490 5.850 9.220
641 2HG2 THR 43 2HG2 THR 43 -6.183 6.277 10.292
642 3HG2 THR 43 3HG2 THR 43 -7.112 4.749 10.543
643 H ALA 44 H ALA 44 -4.272 2.179 7.573
644 HA ALA 44 HA ALA 44 -2.901 3.225 5.140
645 1HB ALA 44 1HB ALA 44 -2.122 1.509 6.861
646 2HB ALA 44 2HB ALA 44 -3.014 0.369 5.961
647 3HB ALA 44 3HB ALA 44 -1.801 1.375 5.083
648 H GLN 45 H GLN 45 -5.811 1.173 5.346
649 HA GLN 45 HA GLN 45 -5.532 0.537 2.529
650 1HB GLN 45 1HB GLN 45 -7.746 0.354 4.541
651 2HB GLN 45 2HB GLN 45 -8.200 0.132 2.844
652 1HG GLN 45 1HG GLN 45 -7.684 -2.084 3.750
653 2HG GLN 45 2HG GLN 45 -6.408 -1.769 2.688
654 1HE2 GLN 45 1HE2 GLN 45 -7.187 -2.501 6.055
655 2HE2 GLN 45 2HE2 GLN 45 -5.561 -2.206 6.654
656 H VAL 46 H VAL 46 -7.186 3.363 4.062
657 HA VAL 46 HA VAL 46 -8.629 3.899 1.626
658 HB VAL 46 HB VAL 46 -7.916 5.883 3.735
659 1HG1 VAL 46 1HG1 VAL 46 -10.583 5.856 2.491
660 2HG1 VAL 46 2HG1 VAL 46 -9.664 7.268 2.858
661 3HG1 VAL 46 3HG1 VAL 46 -9.228 6.381 1.372
662 1HG2 VAL 46 1HG2 VAL 46 -8.866 4.289 5.120
663 2HG2 VAL 46 2HG2 VAL 46 -10.062 5.496 4.807
664 3HG2 VAL 46 3HG2 VAL 46 -10.228 3.945 3.954
665 H LYS 47 H LYS 47 -5.616 5.226 3.090
666 HA LYS 47 HA LYS 47 -4.570 6.887 1.004
667 1HB LYS 47 1HB LYS 47 -3.125 5.011 2.861
668 2HB LYS 47 2HB LYS 47 -2.325 6.200 1.780
669 1HG LYS 47 1HG LYS 47 -3.510 8.009 2.797
670 2HG LYS 47 2HG LYS 47 -4.428 7.008 3.859
671 1HD LYS 47 1HD LYS 47 -1.542 7.414 4.291
672 2HD LYS 47 2HD LYS 47 -2.928 7.945 5.285
673 1HE LYS 47 1HE LYS 47 -3.388 5.591 5.856
674 2HE LYS 47 2HE LYS 47 -2.071 5.112 4.770
675 1HZ LYS 47 1HZ LYS 47 -0.511 6.198 5.955
676 2HZ LYS 47 2HZ LYS 47 -1.392 5.294 7.068
677 3HZ LYS 47 3HZ LYS 47 -1.451 6.881 7.023
678 H ILE 48 H ILE 48 -3.999 3.332 1.407
679 HA ILE 48 HA ILE 48 -2.749 3.007 -1.078
680 HB ILE 48 HB ILE 48 -4.177 0.939 0.683
681 1HG1 ILE 48 1HG1 ILE 48 -1.189 1.249 0.097
682 2HG1 ILE 48 2HG1 ILE 48 -1.800 2.079 1.489
683 1HG2 ILE 48 1HG2 ILE 48 -2.673 -0.677 -0.741
684 2HG2 ILE 48 2HG2 ILE 48 -4.090 -0.016 -1.597
685 3HG2 ILE 48 3HG2 ILE 48 -2.452 0.449 -1.882
686 1HD1 ILE 48 1HD1 ILE 48 -2.930 -0.329 1.966
687 2HD1 ILE 48 2HD1 ILE 48 -1.519 -0.890 1.073
688 3HD1 ILE 48 3HD1 ILE 48 -1.226 -0.027 2.528
689 H TRP 49 H TRP 49 -6.312 2.439 -0.313
690 HA TRP 49 HA TRP 49 -6.830 1.840 -2.850
691 1HB TRP 49 1HB TRP 49 -8.489 1.926 -0.937
692 2HB TRP 49 2HB TRP 49 -8.386 3.702 -1.052
693 HD1 TRP 49 HD1 TRP 49 -9.212 0.896 -3.414
694 HE1 TRP 49 HE1 TRP 49 -11.091 1.650 -5.212
695 HE3 TRP 49 HE3 TRP 49 -9.487 5.527 -2.107
696 HZ2 TRP 49 HZ2 TRP 49 -12.519 4.066 -5.710
697 HZ3 TRP 49 HZ3 TRP 49 -10.952 7.296 -3.376
698 HH2 TRP 49 HH2 TRP 49 -12.397 6.574 -5.044
699 H PHE 50 H PHE 50 -7.070 5.151 -1.461
700 HA PHE 50 HA PHE 50 -7.856 6.465 -3.782
701 1HB PHE 50 1HB PHE 50 -6.350 7.251 -1.388
702 2HB PHE 50 2HB PHE 50 -6.128 8.392 -2.701
703 HD1 PHE 50 HD1 PHE 50 -7.435 10.238 -3.025
704 HD2 PHE 50 HD2 PHE 50 -8.944 6.896 -0.740
705 HE1 PHE 50 HE1 PHE 50 -9.091 11.678 -1.764
706 HE2 PHE 50 HE2 PHE 50 -10.961 8.201 -0.206
707 HZ PHE 50 HZ PHE 50 -10.980 10.613 -0.632
708 H LYS 51 H LYS 51 -4.487 5.906 -2.804
709 HA LYS 51 HA LYS 51 -3.089 7.113 -4.908
710 1HB LYS 51 1HB LYS 51 -2.188 6.257 -2.726
711 2HB LYS 51 2HB LYS 51 -2.325 4.548 -3.375
712 1HG LYS 51 1HG LYS 51 -0.814 6.411 -4.860
713 2HG LYS 51 2HG LYS 51 -0.239 6.371 -3.190
714 1HD LYS 51 1HD LYS 51 -0.722 4.112 -5.030
715 2HD LYS 51 2HD LYS 51 0.809 4.910 -4.953
716 1HE LYS 51 1HE LYS 51 -0.586 3.387 -2.627
717 2HE LYS 51 2HE LYS 51 0.716 2.755 -3.550
718 1HZ LYS 51 1HZ LYS 51 2.003 4.734 -2.914
719 2HZ LYS 51 2HZ LYS 51 1.672 3.734 -1.601
720 3HZ LYS 51 3HZ LYS 51 1.040 5.144 -1.747
721 H ASN 52 H ASN 52 -4.072 3.623 -4.494
722 HA ASN 52 HA ASN 52 -3.072 2.949 -6.984
723 1HB ASN 52 1HB ASN 52 -3.826 0.846 -6.476
724 2HB ASN 52 2HB ASN 52 -3.595 1.471 -4.859
725 1HD2 ASN 52 1HD2 ASN 52 -4.825 0.051 -3.766
726 2HD2 ASN 52 2HD2 ASN 52 -6.379 -0.429 -4.176
727 H ARG 53 H ARG 53 -6.347 4.190 -6.081
728 HA ARG 53 HA ARG 53 -7.724 3.495 -8.503
729 1HB ARG 53 1HB ARG 53 -8.608 4.215 -6.282
730 2HB ARG 53 2HB ARG 53 -8.087 5.898 -6.719
731 1HG ARG 53 1HG ARG 53 -9.648 4.879 -8.867
732 2HG ARG 53 2HG ARG 53 -10.476 4.320 -7.442
733 1HD ARG 53 1HD ARG 53 -10.301 7.044 -6.859
734 2HD ARG 53 2HD ARG 53 -9.569 7.176 -8.332
735 HE ARG 53 HE ARG 53 -12.252 5.904 -8.142
736 1HH1 ARG 53 2HH1 ARG 53 -10.734 8.925 -9.508
737 2HH1 ARG 53 1HH1 ARG 53 -12.346 9.243 -10.058
738 1HH2 ARG 53 2HH2 ARG 53 -14.157 6.684 -9.261
739 2HH2 ARG 53 1HH2 ARG 53 -13.859 8.252 -10.003
740 H ARG 54 H ARG 54 -5.834 6.432 -7.578
741 HA ARG 54 HA ARG 54 -5.948 7.492 -10.187
742 1HB ARG 54 1HB ARG 54 -4.302 7.645 -7.794
743 2HB ARG 54 2HB ARG 54 -3.380 8.288 -9.193
744 1HG ARG 54 1HG ARG 54 -4.350 10.300 -8.143
745 2HG ARG 54 2HG ARG 54 -5.203 9.915 -9.637
746 1HD ARG 54 1HD ARG 54 -7.187 9.730 -8.251
747 2HD ARG 54 2HD ARG 54 -6.286 8.529 -7.313
748 HE ARG 54 HE ARG 54 -6.694 11.389 -6.700
749 1HH1 ARG 54 2HH1 ARG 54 -5.045 8.582 -5.526
750 2HH1 ARG 54 1HH1 ARG 54 -4.194 9.581 -4.290
751 1HH2 ARG 54 2HH2 ARG 54 -6.116 12.285 -4.932
752 2HH2 ARG 54 1HH2 ARG 54 -5.104 11.571 -3.797
753 H ARG 55 H ARG 55 -3.222 5.559 -8.950
754 HA ARG 55 HA ARG 55 -1.591 5.194 -11.318
755 1HB ARG 55 1HB ARG 55 -1.869 3.730 -8.875
756 2HB ARG 55 2HB ARG 55 -0.992 3.088 -10.337
757 1HG ARG 55 1HG ARG 55 -0.663 5.818 -8.989
758 2HG ARG 55 2HG ARG 55 0.333 4.412 -8.512
759 1HD ARG 55 1HD ARG 55 0.513 5.980 -11.064
760 2HD ARG 55 2HD ARG 55 1.638 5.806 -9.826
761 HE ARG 55 HE ARG 55 1.481 4.219 -12.058
762 1HH1 ARG 55 2HH1 ARG 55 2.038 3.076 -8.672
763 2HH1 ARG 55 1HH1 ARG 55 3.596 2.586 -9.274
764 1HH2 ARG 55 2HH2 ARG 55 2.890 2.563 -12.555
765 2HH2 ARG 55 1HH2 ARG 55 3.417 1.668 -11.273
766 H ARG 56 H ARG 56 -4.327 2.981 -10.291
767 HA ARG 56 HA ARG 56 -4.178 1.632 -12.668
768 1HB ARG 56 1HB ARG 56 -5.107 1.057 -10.629
769 2HB ARG 56 2HB ARG 56 -6.512 2.137 -10.769
770 1HG ARG 56 1HG ARG 56 -6.862 0.545 -12.974
771 2HG ARG 56 2HG ARG 56 -5.549 -0.433 -12.267
772 1HD ARG 56 1HD ARG 56 -8.220 0.320 -11.061
773 2HD ARG 56 2HD ARG 56 -7.865 -1.248 -11.746
774 HE ARG 56 HE ARG 56 -6.550 -1.839 -9.939
775 1HH1 ARG 56 2HH1 ARG 56 -7.908 1.346 -9.318
776 2HH1 ARG 56 1HH1 ARG 56 -7.561 1.189 -7.627
777 1HH2 ARG 56 2HH2 ARG 56 -6.208 -1.871 -7.645
778 2HH2 ARG 56 1HH2 ARG 56 -6.836 -0.545 -6.726
779 H HIS 57 H HIS 57 -6.355 4.387 -11.941
780 HA HIS 57 HA HIS 57 -7.907 4.512 -14.226
781 1HB HIS 57 1HB HIS 57 -8.332 5.983 -12.207
782 2HB HIS 57 2HB HIS 57 -6.928 6.888 -12.427
783 HD1 HIS 57 HD1 HIS 57 -9.956 5.896 -14.632
784 HD2 HIS 57 HD2 HIS 57 -7.266 8.996 -13.743
785 HE1 HIS 57 HE1 HIS 57 -10.540 7.810 -16.276
786 H LYS 58 H LYS 58 -4.742 6.333 -13.638
787 HA LYS 58 HA LYS 58 -4.449 7.338 -16.221
788 1HB LYS 58 1HB LYS 58 -2.317 8.080 -15.594
789 2HB LYS 58 2HB LYS 58 -3.440 8.329 -14.262
790 1HG LYS 58 1HG LYS 58 -2.432 6.292 -13.133
791 2HG LYS 58 2HG LYS 58 -1.356 6.142 -14.572
792 1HD LYS 58 1HD LYS 58 -0.029 7.332 -12.906
793 2HD LYS 58 2HD LYS 58 -0.661 8.473 -13.990
794 1HE LYS 58 1HE LYS 58 -2.675 8.664 -12.297
795 2HE LYS 58 2HE LYS 58 -1.605 7.864 -11.154
796 1HZ LYS 58 1HZ LYS 58 -1.439 10.337 -10.949
797 2HZ LYS 58 2HZ LYS 58 -1.410 10.533 -12.469
798 3HZ LYS 58 3HZ LYS 58 -0.035 9.869 -11.753
799 H ILE 59 H ILE 59 -3.401 4.365 -14.847
800 HA ILE 59 HA ILE 59 -1.776 3.635 -17.082
801 HB ILE 59 HB ILE 59 -2.946 1.928 -14.845
802 1HG1 ILE 59 1HG1 ILE 59 0.072 2.652 -15.349
803 2HG1 ILE 59 2HG1 ILE 59 -1.015 3.759 -14.525
804 1HG2 ILE 59 1HG2 ILE 59 -1.398 0.108 -15.500
805 2HG2 ILE 59 2HG2 ILE 59 -2.493 0.362 -16.671
806 3HG2 ILE 59 3HG2 ILE 59 -1.008 1.129 -17.010
807 1HD1 ILE 59 1HD1 ILE 59 -0.023 1.010 -13.851
808 2HD1 ILE 59 2HD1 ILE 59 0.062 2.483 -12.973
809 3HD1 ILE 59 3HD1 ILE 59 -1.468 1.717 -12.935
810 H GLN 60 H GLN 60 -5.001 2.546 -16.190
811 HA GLN 60 HA GLN 60 -5.587 0.920 -18.560
812 1HB GLN 60 1HB GLN 60 -7.579 1.948 -16.613
813 2HB GLN 60 2HB GLN 60 -7.828 0.821 -17.859
814 1HG GLN 60 1HG GLN 60 -5.600 0.299 -15.948
815 2HG GLN 60 2HG GLN 60 -7.226 -0.319 -15.614
816 1HE2 GLN 60 1HE2 GLN 60 -5.055 -2.056 -15.731
817 2HE2 GLN 60 2HE2 GLN 60 -5.160 -3.063 -17.129
818 H SER 61 H SER 61 -6.271 4.325 -17.828
819 HA SER 61 HA SER 61 -7.414 5.109 -20.404
820 1HB SER 61 1HB SER 61 -5.757 6.893 -18.410
821 2HB SER 61 2HB SER 61 -6.498 7.452 -19.892
822 HG SER 61 HG SER 61 -7.707 6.507 -17.594
823 H ASP 62 H ASP 62 -4.185 3.994 -19.656
824 HA ASP 62 HA ASP 62 -3.079 5.131 -22.222
825 1HB ASP 62 1HB ASP 62 -1.865 5.863 -20.335
826 2HB ASP 62 2HB ASP 62 -1.893 4.238 -19.660
827 H GLN 63 H GLN 63 -4.676 2.237 -21.321
828 HA GLN 63 HA GLN 63 -3.198 0.902 -23.428
829 1HB GLN 63 1HB GLN 63 -2.441 -0.819 -22.337
830 2HB GLN 63 2HB GLN 63 -2.022 0.506 -21.353
831 1HG GLN 63 1HG GLN 63 -3.867 0.226 -19.775
832 2HG GLN 63 2HG GLN 63 -4.337 -1.332 -20.623
833 1HE2 GLN 63 2HE2 GLN 63 -1.424 0.222 -18.975
834 2HE2 GLN 63 1HE2 GLN 63 -1.037 -1.367 -18.372
835 H HIS 64 H HIS 64 -6.325 1.421 -22.174
836 HA HIS 64 HA HIS 64 -7.346 -1.105 -22.759
837 1HB HIS 64 1HB HIS 64 -9.554 -0.114 -22.319
838 2HB HIS 64 2HB HIS 64 -8.525 0.707 -21.233
839 HD1 HIS 64 HD1 HIS 64 -11.110 1.547 -23.420
840 HD2 HIS 64 HD2 HIS 64 -7.289 3.153 -22.747
841 HE1 HIS 64 HE1 HIS 64 -11.057 3.795 -24.536
842 H LYS 65 H LYS 65 -8.731 -1.828 -24.463
843 HA LYS 65 HA LYS 65 -8.423 -0.424 -27.040
844 1HB LYS 65 1HB LYS 65 -6.913 -2.425 -26.611
845 2HB LYS 65 2HB LYS 65 -8.291 -3.397 -26.184
846 1HG LYS 65 1HG LYS 65 -8.753 -3.220 -28.771
847 2HG LYS 65 2HG LYS 65 -7.443 -2.104 -28.834
848 1HD LYS 65 1HD LYS 65 -6.972 -4.900 -27.788
849 2HD LYS 65 2HD LYS 65 -6.814 -4.355 -29.474
850 1HE LYS 65 1HE LYS 65 -5.082 -3.492 -27.078
851 2HE LYS 65 2HE LYS 65 -4.744 -4.821 -28.099
852 1HZ LYS 65 1HZ LYS 65 -3.590 -2.763 -28.728
853 2HZ LYS 65 2HZ LYS 65 -4.899 -1.995 -28.766
854 3HZ LYS 65 3HZ LYS 65 -4.673 -2.997 -30.022
855 H ASP 66 H ASP 66 -10.048 -1.090 -28.687
856 HA ASP 66 HA ASP 66 -12.151 -1.071 -29.563
857 1HB ASP 66 1HB ASP 66 -11.369 -3.520 -29.053
858 2HB ASP 66 2HB ASP 66 -12.280 -3.342 -27.620
859 H GLN 67 H GLN 67 -12.222 0.723 -27.063
860 HA GLN 67 HA GLN 67 -14.510 0.381 -25.625
861 1HB GLN 67 1HB GLN 67 -13.063 2.135 -24.960
862 2HB GLN 67 2HB GLN 67 -13.118 2.990 -26.402
863 1HG GLN 67 1HG GLN 67 -14.396 3.879 -24.489
864 2HG GLN 67 2HG GLN 67 -15.575 3.505 -25.853
865 1HE2 GLN 67 1HE2 GLN 67 -17.397 2.894 -24.858
866 2HE2 GLN 67 2HE2 GLN 67 -17.442 1.718 -23.465
867 H SER 68 H SER 68 -16.691 0.576 -25.891
868 HA SER 68 HA SER 68 -17.689 1.168 -28.576
869 1HB SER 68 1HB SER 68 -18.915 0.478 -25.879
870 2HB SER 68 2HB SER 68 -19.854 1.071 -27.308
871 HG SER 68 HG SER 68 -18.170 -1.156 -27.475
Start of MODEL 15
1 1H5* G 69 1H5* G 69 9.286 -23.104 -12.086
2 2H5* G 69 2H5* G 69 10.665 -22.122 -12.669
3 H4* G 69 H4* G 69 8.694 -22.109 -14.185
4 H3* G 69 H3* G 69 9.991 -19.758 -13.466
5 H1* G 69 H1* G 69 6.157 -20.134 -13.464
6 H8 G 69 H8 G 69 7.581 -20.245 -9.966
7 H1 G 69 H1 G 69 1.384 -21.454 -10.019
8 1H2 G 69 1H2 G 69 1.570 -20.665 -13.346
9 2H2 G 69 2H2 G 69 0.559 -20.819 -11.901
10 H5T G 69 H5T G 69 10.196 -21.967 -10.413
11 1H2* G 69 1H2* G 69 8.419 -19.107 -11.706
12 2H2* G 69 2H2* G 69 7.528 -18.337 -12.989
13 1H5* C 70 1H5* C 70 6.101 -19.748 -16.468
14 2H5* C 70 2H5* C 70 6.449 -18.587 -17.780
15 H4* C 70 H4* C 70 4.216 -18.489 -17.328
16 H3* C 70 H3* C 70 5.819 -16.060 -16.913
17 H1* C 70 H1* C 70 2.538 -17.376 -15.102
18 1H4 C 70 1H4 C 70 3.806 -17.213 -8.670
19 2H4 C 70 2H4 C 70 2.051 -17.023 -9.072
20 H5 C 70 H5 C 70 5.516 -17.312 -10.469
21 H6 C 70 H6 C 70 5.634 -17.253 -12.907
22 1H2* C 70 1H2* C 70 5.270 -15.905 -14.736
23 2H2* C 70 2H2* C 70 3.669 -15.275 -15.163
24 1H5* T 71 1H5* T 71 1.338 -16.211 -17.363
25 2H5* T 71 2H5* T 71 0.722 -14.773 -18.168
26 H4* T 71 H4* T 71 -0.505 -15.278 -16.196
27 H3* T 71 H3* T 71 0.717 -12.478 -16.500
28 1H2* T 71 1H2* T 71 1.219 -12.507 -14.323
29 2H2* T 71 2H2* T 71 -0.524 -12.396 -14.029
30 H1* T 71 H1* T 71 -0.633 -14.757 -13.602
31 H3 T 71 H3 T 71 0.964 -14.723 -9.409
32 1H5M T 71 1H5M T 71 5.219 -13.057 -11.048
33 2H5M T 71 2H5M T 71 5.474 -14.482 -11.911
34 3H5M T 71 3H5M T 71 4.982 -12.983 -12.842
35 H6 T 71 H6 T 71 3.092 -13.919 -13.666
36 1H5* C 72 1H5* C 72 -3.611 -12.556 -14.348
37 2H5* C 72 2H5* C 72 -4.416 -11.098 -14.972
38 H4* C 72 H4* C 72 -4.775 -11.563 -12.577
39 H3* C 72 H3* C 72 -4.034 -8.951 -13.572
40 H1* C 72 H1* C 72 -3.319 -10.742 -10.385
41 1H4 C 72 1H4 C 72 3.203 -10.790 -9.936
42 2H4 C 72 2H4 C 72 2.684 -11.601 -8.504
43 H5 C 72 H5 C 72 1.804 -10.562 -11.905
44 H6 C 72 H6 C 72 -0.537 -10.291 -12.551
45 1H2* C 72 1H2* C 72 -2.149 -8.775 -12.271
46 2H2* C 72 2H2* C 72 -3.364 -8.560 -10.964
47 1H5* T 73 1H5* T 73 -5.352 -9.609 -9.545
48 2H5* T 73 2H5* T 73 -6.890 -8.836 -9.441
49 H4* T 73 H4* T 73 -5.804 -8.761 -7.256
50 H3* T 73 H3* T 73 -6.466 -6.356 -8.400
51 1H2* T 73 1H2* T 73 -4.124 -5.809 -9.162
52 2H2* T 73 2H2* T 73 -3.951 -5.169 -7.600
53 H1* T 73 H1* T 73 -3.339 -7.210 -6.498
54 H3 T 73 H3 T 73 1.056 -8.309 -6.928
55 1H5M T 73 1H5M T 73 0.962 -6.064 -11.134
56 2H5M T 73 2H5M T 73 0.527 -7.574 -11.719
57 3H5M T 73 3H5M T 73 -0.702 -6.212 -11.662
58 H6 T 73 H6 T 73 -2.257 -6.393 -9.894
59 1H5* A 74 1H5* A 74 -6.273 -7.180 -3.516
60 2H5* A 74 2H5* A 74 -7.135 -5.731 -2.929
61 H4* A 74 H4* A 74 -5.511 -6.772 -1.478
62 H3* A 74 H3* A 74 -6.012 -3.948 -1.745
63 H1* A 74 H1* A 74 -2.298 -5.516 -1.676
64 H8 A 74 H8 A 74 -3.468 -4.245 -5.185
65 1H6 A 74 1H6 A 74 2.595 -4.717 -6.343
66 2H6 A 74 2H6 A 74 1.050 -4.226 -7.066
67 H2 A 74 H2 A 74 1.979 -6.696 -2.603
68 1H2* A 74 1H2* A 74 -4.025 -3.548 -3.226
69 2H2* A 74 2H2* A 74 -3.330 -3.344 -1.622
70 1H5* A 75 1H5* A 75 -2.677 -5.281 0.576
71 2H5* A 75 2H5* A 75 -2.568 -4.533 2.182
72 H4* A 75 H4* A 75 -0.332 -5.200 1.133
73 H3* A 75 H3* A 75 -0.673 -2.267 1.965
74 H1* A 75 H1* A 75 1.288 -4.425 -0.645
75 H8 A 75 H8 A 75 -1.298 -2.159 -2.247
76 1H6 A 75 1H6 A 75 3.366 -1.346 -6.572
77 2H6 A 75 2H6 A 75 1.710 -1.098 -6.488
78 H2 A 75 H2 A 75 5.049 -3.163 -3.151
79 1H2* A 75 1H2* A 75 1.054 -1.664 0.421
80 2H2* A 75 2H2* A 75 2.011 -3.068 0.814
81 1H5* T 76 1H5* T 76 3.032 -4.847 2.018
82 2H5* T 76 2H5* T 76 4.006 -4.711 3.472
83 H4* T 76 H4* T 76 5.552 -4.837 1.576
84 H3* T 76 H3* T 76 5.612 -2.890 3.522
85 1H2* T 76 1H2* T 76 4.847 -1.015 2.244
86 2H2* T 76 2H2* T 76 6.457 -0.958 1.617
87 H1* T 76 H1* T 76 6.342 -2.473 0.077
88 H3 T 76 H3 T 76 5.305 0.032 -3.536
89 1H5M T 76 1H5M T 76 1.279 0.656 0.202
90 2H5M T 76 2H5M T 76 1.784 1.916 -0.907
91 3H5M T 76 3H5M T 76 0.832 0.535 -1.504
92 H6 T 76 H6 T 76 3.069 -0.901 0.655
93 1H5* C 77 1H5* C 77 9.588 -2.752 0.828
94 2H5* C 77 2H5* C 77 10.873 -2.696 2.043
95 H4* C 77 H4* C 77 11.543 -1.438 0.356
96 H3* C 77 H3* C 77 11.420 -0.063 2.910
97 H1* C 77 H1* C 77 10.577 1.423 -0.552
98 1H4 C 77 1H4 C 77 4.297 3.199 -0.494
99 2H4 C 77 2H4 C 77 4.963 3.424 -2.153
100 H5 C 77 H5 C 77 5.477 1.809 1.181
101 H6 C 77 H6 C 77 7.776 1.113 1.732
102 1H2* C 77 1H2* C 77 9.487 0.936 2.339
103 2H2* C 77 2H2* C 77 10.728 2.181 1.706
104 1H5* C 78 1H5* C 78 14.084 1.489 -0.506
105 2H5* C 78 2H5* C 78 15.490 2.423 0.020
106 H4* C 78 H4* C 78 14.512 3.353 -2.082
107 H3* C 78 H3* C 78 15.133 4.979 0.143
108 H1* C 78 H1* C 78 12.291 5.612 -2.447
109 1H4 C 78 1H4 C 78 6.822 5.027 0.841
110 2H4 C 78 2H4 C 78 6.459 5.791 -0.698
111 H5 C 78 H5 C 78 9.036 4.314 1.627
112 H6 C 78 H6 C 78 11.406 4.151 0.800
113 1H2* C 78 1H2* C 78 12.941 5.816 0.415
114 2H2* C 78 2H2* C 78 13.347 6.831 -1.042
115 1H5* C 79 1H5* C 79 14.517 7.029 -3.785
116 2H5* C 79 2H5* C 79 15.802 8.191 -4.105
117 H4* C 79 H4* C 79 13.746 9.155 -4.715
118 H3* C 79 H3* C 79 15.150 10.648 -2.636
119 H1* C 79 H1* C 79 11.612 10.426 -3.409
120 1H4 C 79 1H4 C 79 8.128 7.793 1.596
121 2H4 C 79 2H4 C 79 6.975 8.679 0.633
122 H5 C 79 H5 C 79 10.452 7.535 1.055
123 H6 C 79 H6 C 79 12.129 8.312 -0.381
124 1H2* C 79 1H2* C 79 13.482 10.168 -1.069
125 2H2* C 79 2H2* C 79 12.803 11.696 -1.795
126 1H5* C 80 1H5* C 80 11.945 12.810 -5.573
127 2H5* C 80 2H5* C 80 12.760 14.335 -6.043
128 H4* C 80 H4* C 80 10.264 14.688 -5.875
129 H3* C 80 H3* C 80 12.237 16.149 -4.469
130 H1* C 80 H1* C 80 8.811 15.274 -3.261
131 1H4 C 80 1H4 C 80 9.137 11.314 1.920
132 2H4 C 80 2H4 C 80 7.553 11.744 1.587
133 H5 C 80 H5 C 80 11.059 12.315 0.674
134 H6 C 80 H6 C 80 11.502 13.407 -1.498
135 1H2* C 80 1H2* C 80 11.714 15.237 -2.430
136 2H2* C 80 2H2* C 80 10.622 16.623 -2.468
137 1H5* G 81 1H5* G 81 7.929 16.986 -6.521
138 2H5* G 81 2H5* G 81 7.787 18.309 -7.508
139 H4* G 81 H4* G 81 5.778 18.551 -6.494
140 H3* G 81 H3* G 81 7.629 20.564 -5.977
141 H1* G 81 H1* G 81 5.543 19.376 -3.060
142 H8 G 81 H8 G 81 9.015 18.735 -2.259
143 H1 G 81 H1 G 81 5.116 15.568 1.710
144 1H2 G 81 1H2 G 81 2.644 16.273 -0.722
145 2H2 G 81 2H2 G 81 3.123 15.396 0.685
146 H3T G 81 H3T G 81 5.846 21.798 -5.188
147 1H2* G 81 1H2* G 81 8.369 19.665 -3.907
148 2H2* G 81 2H2* G 81 7.163 20.864 -3.320
149 1H5* C 82 1H5* C 82 0.860 15.092 9.086
150 2H5* C 82 2H5* C 82 -0.333 13.767 9.050
151 H4* C 82 H4* C 82 -0.726 14.848 6.977
152 H3* C 82 H3* C 82 0.405 12.186 7.106
153 H1* C 82 H1* C 82 0.872 14.813 4.140
154 1H4 C 82 1H4 C 82 7.370 14.585 4.954
155 2H4 C 82 2H4 C 82 7.002 14.314 3.197
156 H5 C 82 H5 C 82 5.683 13.841 6.471
157 H6 C 82 H6 C 82 3.196 14.288 6.876
158 H5T C 82 H5T C 82 1.249 12.571 9.432
159 1H2* C 82 1H2* C 82 1.919 12.348 5.334
160 2H2* C 82 2H2* C 82 0.627 12.659 4.258
161 1H5* G 83 1H5* G 83 -2.588 13.097 3.509
162 2H5* G 83 2H5* G 83 -3.578 11.674 3.192
163 H4* G 83 H4* G 83 -2.834 12.726 1.158
164 H3* G 83 H3* G 83 -3.010 10.130 1.102
165 H1* G 83 H1* G 83 0.226 11.595 -0.354
166 H8 G 83 H8 G 83 0.643 10.596 3.292
167 H1 G 83 H1 G 83 5.958 12.630 0.306
168 1H2 G 83 1H2 G 83 3.862 14.151 -1.837
169 2H2 G 83 2H2 G 83 5.473 13.708 -1.461
170 1H2* G 83 1H2* G 83 -0.645 9.792 1.704
171 2H2* G 83 2H2* G 83 -0.626 9.485 -0.110
172 1H5* G 84 1H5* G 84 -1.464 12.194 -2.439
173 2H5* G 84 2H5* G 84 -2.612 12.079 -3.752
174 H4* G 84 H4* G 84 -0.555 12.639 -4.843
175 H3* G 84 H3* G 84 -1.656 10.152 -5.394
176 H1* G 84 H1* G 84 2.221 10.662 -4.716
177 H8 G 84 H8 G 84 0.246 9.035 -1.990
178 H1 G 84 H1 G 84 6.585 9.857 -0.989
179 1H2 G 84 1H2 G 84 6.354 11.496 -4.121
180 2H2 G 84 2H2 G 84 7.335 11.008 -2.839
181 1H2* G 84 1H2* G 84 -0.210 8.868 -4.070
182 2H2* G 84 2H2* G 84 0.758 9.021 -5.602
183 1H5* G 85 1H5* G 85 2.251 10.991 -8.052
184 2H5* G 85 2H5* G 85 1.599 10.407 -9.620
185 H4* G 85 H4* G 85 3.898 9.457 -9.426
186 H3* G 85 H3* G 85 1.633 7.892 -9.874
187 H1* G 85 H1* G 85 4.448 7.005 -7.788
188 H8 G 85 H8 G 85 1.500 6.558 -5.421
189 H1 G 85 H1 G 85 7.100 6.532 -2.291
190 1H2 G 85 1H2 G 85 8.394 7.652 -5.437
191 2H2 G 85 2H2 G 85 8.610 6.997 -3.815
192 1H2* G 85 1H2* G 85 1.478 7.209 -7.493
193 2H2* G 85 2H2* G 85 2.480 5.893 -8.313
194 1H5* G 86 1H5* G 86 6.195 7.693 -10.088
195 2H5* G 86 2H5* G 86 6.985 8.340 -11.489
196 H4* G 86 H4* G 86 8.695 7.026 -11.140
197 H3* G 86 H3* G 86 7.203 5.533 -12.806
198 H1* G 86 H1* G 86 8.153 3.777 -9.426
199 H8 G 86 H8 G 86 4.615 4.662 -9.539
200 H1 G 86 H1 G 86 6.836 3.152 -3.666
201 1H2 G 86 1H2 G 86 9.767 3.502 -5.335
202 2H2 G 86 2H2 G 86 9.078 3.335 -3.740
203 1H2* G 86 1H2* G 86 5.993 4.434 -11.367
204 2H2* G 86 2H2* G 86 7.240 3.244 -11.431
205 1H5* A 87 1H5* A 87 11.358 3.111 -10.861
206 2H5* A 87 2H5* A 87 11.697 2.132 -12.193
207 H4* A 87 H4* A 87 11.548 1.085 -9.880
208 H3* A 87 H3* A 87 10.525 -0.132 -12.249
209 H1* A 87 H1* A 87 8.950 -0.262 -8.817
210 H8 A 87 H8 A 87 6.165 0.973 -11.084
211 1H6 A 87 1H6 A 87 3.479 1.366 -5.333
212 2H6 A 87 2H6 A 87 2.923 1.515 -7.008
213 H2 A 87 H2 A 87 7.467 0.083 -4.908
214 1H2* A 87 1H2* A 87 8.151 0.525 -11.674
215 2H2* A 87 2H2* A 87 8.229 -1.112 -10.910
216 1H5* T 88 1H5* T 88 11.795 -1.055 -7.944
217 2H5* T 88 2H5* T 88 13.340 -1.913 -7.761
218 H4* T 88 H4* T 88 12.111 -2.425 -5.884
219 H3* T 88 H3* T 88 12.422 -4.719 -7.701
220 1H2* T 88 1H2* T 88 10.378 -5.031 -8.168
221 2H2* T 88 2H2* T 88 10.117 -5.786 -6.570
222 H1* T 88 H1* T 88 9.664 -3.774 -5.347
223 H3 T 88 H3 T 88 5.487 -2.286 -5.459
224 1H5M T 88 1H5M T 88 7.046 -3.285 -10.650
225 2H5M T 88 2H5M T 88 5.321 -3.489 -9.986
226 3H5M T 88 3H5M T 88 5.976 -1.903 -10.294
227 H6 T 88 H6 T 88 8.509 -3.614 -8.887
228 1H5* T 89 1H5* T 89 11.096 -4.665 -3.652
229 2H5* T 89 2H5* T 89 12.073 -5.798 -2.741
230 H4* T 89 H4* T 89 9.981 -5.404 -1.491
231 H3* T 89 H3* T 89 10.843 -7.933 -2.114
232 1H2* T 89 1H2* T 89 9.163 -8.206 -3.864
233 2H2* T 89 2H2* T 89 8.241 -8.812 -2.495
234 H1* T 89 H1* T 89 7.348 -6.737 -2.011
235 H3 T 89 H3 T 89 3.794 -5.921 -4.875
236 1H5M T 89 1H5M T 89 6.782 -5.769 -8.490
237 2H5M T 89 2H5M T 89 8.105 -6.638 -7.774
238 3H5M T 89 3H5M T 89 6.531 -7.491 -8.346
239 H6 T 89 H6 T 89 8.380 -6.984 -5.612
240 1H5* A 90 1H5* A 90 6.952 -7.931 1.011
241 2H5* A 90 2H5* A 90 7.306 -9.367 1.969
242 H4* A 90 H4* A 90 5.017 -9.219 1.319
243 H3* A 90 H3* A 90 6.468 -11.703 0.984
244 H1* A 90 H1* A 90 3.563 -10.176 -1.098
245 H8 A 90 H8 A 90 6.771 -10.331 -3.065
246 1H6 A 90 1H6 A 90 3.316 -8.748 -8.021
247 2H6 A 90 2H6 A 90 5.019 -8.856 -7.472
248 H2 A 90 H2 A 90 0.827 -8.839 -4.675
249 1H2* A 90 1H2* A 90 6.438 -11.454 -1.302
250 2H2* A 90 2H2* A 90 4.921 -12.260 -1.349
251 1H5* G 91 1H5* G 91 1.871 -11.036 1.052
252 2H5* G 91 2H5* G 91 1.326 -12.129 2.274
253 H4* G 91 H4* G 91 -0.579 -11.535 1.114
254 H3* G 91 H3* G 91 -0.039 -14.096 1.648
255 H1* G 91 H1* G 91 -0.892 -13.128 -1.971
256 H8 G 91 H8 G 91 3.061 -13.423 -1.560
257 H1 G 91 H1 G 91 0.549 -12.043 -7.279
258 1H2 G 91 1H2 G 91 -2.418 -11.702 -5.395
259 2H2 G 91 2H2 G 91 -1.603 -11.630 -6.962
260 1H2* G 91 1H2* G 91 1.043 -14.785 -0.278
261 2H2* G 91 2H2* G 91 -0.642 -14.979 -0.755
262 1H5* A 92 1H5* A 92 -3.615 -13.885 -1.084
263 2H5* A 92 2H5* A 92 -5.054 -14.693 -0.445
264 H4* A 92 H4* A 92 -5.029 -15.135 -2.716
265 H3* A 92 H3* A 92 -4.554 -17.590 -1.128
266 H1* A 92 H1* A 92 -3.403 -16.437 -4.581
267 H8 A 92 H8 A 92 -0.462 -16.629 -2.295
268 1H6 A 92 1H6 A 92 2.990 -14.935 -7.468
269 2H6 A 92 2H6 A 92 3.196 -15.447 -5.824
270 H2 A 92 H2 A 92 -1.197 -14.844 -8.375
271 1H2* A 92 1H2* A 92 -2.437 -17.929 -2.128
272 2H2* A 92 2H2* A 92 -3.304 -18.555 -3.503
273 1H5* G 93 1H5* G 93 -6.904 -16.335 -5.420
274 2H5* G 93 2H5* G 93 -7.905 -17.714 -5.559
275 H4* G 93 H4* G 93 -7.288 -16.844 -7.824
276 H3* G 93 H3* G 93 -7.850 -19.423 -6.973
277 H1* G 93 H1* G 93 -4.822 -18.643 -9.127
278 H8 G 93 H8 G 93 -3.848 -19.407 -5.587
279 H1 G 93 H1 G 93 1.007 -17.982 -9.660
280 1H2 G 93 1H2 G 93 -1.349 -18.086 -12.033
281 2H2 G 93 2H2 G 93 0.358 -17.871 -11.589
282 1H2* G 93 1H2* G 93 -5.792 -20.123 -6.553
283 2H2* G 93 2H2* G 93 -5.693 -20.619 -8.279
284 1H5* C 94 1H5* C 94 -6.601 -19.667 -11.485
285 2H5* C 94 2H5* C 94 -7.652 -20.745 -12.260
286 H4* C 94 H4* C 94 -5.306 -21.406 -12.798
287 H3* C 94 H3* C 94 -6.680 -23.249 -11.039
288 H1* C 94 H1* C 94 -3.065 -22.017 -11.905
289 1H4 C 94 1H4 C 94 0.156 -22.219 -6.212
290 2H4 C 94 2H4 C 94 1.054 -21.454 -7.487
291 H5 C 94 H5 C 94 -2.351 -22.271 -6.594
292 H6 C 94 H6 C 94 -4.007 -22.024 -8.338
293 H3T C 94 H3T C 94 -6.712 -23.271 -13.296
294 1H2* C 94 1H2* C 94 -4.556 -23.717 -9.822
295 2H2* C 94 2H2* C 94 -3.820 -24.244 -11.273
296 1H GLY 1 1H GLY 1 7.677 -6.120 4.704
297 2H GLY 1 2H GLY 1 9.162 -6.296 4.193
298 3H GLY 1 3H GLY 1 8.867 -6.475 5.849
299 1HA GLY 1 1HA GLY 1 8.234 -8.305 3.584
300 2HA GLY 1 2HA GLY 1 9.311 -8.560 4.922
301 HA PRO 2 HA PRO 2 5.872 -10.765 6.394
302 1HB PRO 2 1HB PRO 2 6.885 -11.553 8.878
303 2HB PRO 2 2HB PRO 2 7.160 -12.415 7.344
304 1HG PRO 2 1HG PRO 2 8.907 -10.456 8.648
305 2HG PRO 2 2HG PRO 2 9.278 -11.965 7.832
306 1HD PRO 2 1HD PRO 2 9.666 -9.554 6.622
307 2HD PRO 2 2HD PRO 2 9.004 -10.939 5.662
308 H ARG 3 H ARG 3 6.910 -7.913 8.157
309 HA ARG 3 HA ARG 3 4.602 -7.341 9.816
310 1HB ARG 3 1HB ARG 3 6.522 -5.767 8.283
311 2HB ARG 3 2HB ARG 3 5.126 -4.938 8.729
312 1HG ARG 3 1HG ARG 3 6.519 -6.623 10.878
313 2HG ARG 3 2HG ARG 3 7.239 -5.071 10.379
314 1HD ARG 3 1HD ARG 3 5.133 -3.818 10.983
315 2HD ARG 3 2HD ARG 3 4.408 -5.338 11.306
316 HE ARG 3 HE ARG 3 6.862 -4.685 12.974
317 1HH1 ARG 3 2HH1 ARG 3 3.400 -4.391 12.684
318 2HH1 ARG 3 1HH1 ARG 3 3.030 -4.689 14.316
319 1HH2 ARG 3 2HH2 ARG 3 6.398 -4.760 15.177
320 2HH2 ARG 3 1HH2 ARG 3 4.764 -4.566 15.812
321 H ARG 4 H ARG 4 4.606 -7.465 6.401
322 HA ARG 4 HA ARG 4 2.479 -5.746 5.892
323 1HB ARG 4 1HB ARG 4 2.559 -6.422 3.601
324 2HB ARG 4 2HB ARG 4 4.146 -7.014 4.130
325 1HG ARG 4 1HG ARG 4 1.666 -8.661 3.768
326 2HG ARG 4 2HG ARG 4 3.020 -8.499 2.534
327 1HD ARG 4 1HD ARG 4 3.152 -10.527 3.561
328 2HD ARG 4 2HD ARG 4 4.592 -9.502 3.922
329 HE ARG 4 HE ARG 4 3.468 -9.336 6.212
330 1HH1 ARG 4 2HH1 ARG 4 2.646 -12.107 4.395
331 2HH1 ARG 4 1HH1 ARG 4 1.565 -12.716 5.625
332 1HH2 ARG 4 2HH2 ARG 4 2.792 -10.427 7.918
333 2HH2 ARG 4 1HH2 ARG 4 1.598 -11.719 7.732
334 H THR 5 H THR 5 0.386 -6.261 4.764
335 HA THR 5 HA THR 5 -1.065 -8.670 5.049
336 HB THR 5 HB THR 5 -1.290 -7.660 7.396
337 HG1 THR 5 HG1 THR 5 -3.639 -8.317 7.227
338 1HG2 THR 5 1HG2 THR 5 -3.112 -5.964 7.691
339 2HG2 THR 5 2HG2 THR 5 -2.956 -5.670 5.882
340 3HG2 THR 5 3HG2 THR 5 -1.644 -5.364 6.953
341 H ARG 6 H ARG 6 -3.371 -8.577 4.187
342 HA ARG 6 HA ARG 6 -3.739 -6.204 2.518
343 1HB ARG 6 1HB ARG 6 -3.788 -7.324 0.464
344 2HB ARG 6 2HB ARG 6 -2.410 -7.904 1.315
345 1HG ARG 6 1HG ARG 6 -4.003 -9.877 1.888
346 2HG ARG 6 2HG ARG 6 -4.957 -9.232 0.583
347 1HD ARG 6 1HD ARG 6 -1.988 -9.906 0.277
348 2HD ARG 6 2HD ARG 6 -3.071 -11.161 0.051
349 HE ARG 6 HE ARG 6 -3.970 -9.984 -1.853
350 1HH1 ARG 6 2HH1 ARG 6 -1.120 -8.404 -0.630
351 2HH1 ARG 6 1HH1 ARG 6 -0.655 -7.725 -2.203
352 1HH2 ARG 6 2HH2 ARG 6 -2.971 -9.719 -3.893
353 2HH2 ARG 6 1HH2 ARG 6 -1.787 -8.573 -4.133
354 H THR 7 H THR 7 -5.826 -7.002 1.090
355 HA THR 7 HA THR 7 -8.129 -7.490 2.792
356 HB THR 7 HB THR 7 -7.766 -4.788 1.431
357 HG1 THR 7 HG1 THR 7 -6.560 -4.489 3.082
358 1HG2 THR 7 1HG2 THR 7 -10.164 -5.612 1.665
359 2HG2 THR 7 2HG2 THR 7 -9.841 -4.215 2.512
360 3HG2 THR 7 3HG2 THR 7 -9.956 -5.826 3.416
361 H THR 8 H THR 8 -9.786 -8.415 1.746
362 HA THR 8 HA THR 8 -9.871 -8.603 -1.217
363 HB THR 8 HB THR 8 -11.526 -9.631 1.147
364 HG1 THR 8 HG1 THR 8 -10.571 -11.183 -0.872
365 1HG2 THR 8 1HG2 THR 8 -12.886 -10.830 -0.530
366 2HG2 THR 8 2HG2 THR 8 -12.221 -9.926 -1.890
367 3HG2 THR 8 3HG2 THR 8 -13.206 -9.160 -0.539
368 H PHE 9 H PHE 9 -10.737 -6.767 -2.273
369 HA PHE 9 HA PHE 9 -12.549 -4.988 -0.920
370 1HB PHE 9 1HB PHE 9 -11.311 -4.864 -3.700
371 2HB PHE 9 2HB PHE 9 -12.690 -3.915 -3.239
372 HD1 PHE 9 HD1 PHE 9 -12.581 -2.188 -1.321
373 HD2 PHE 9 HD2 PHE 9 -9.070 -4.494 -2.609
374 HE1 PHE 9 HE1 PHE 9 -11.055 -0.666 -0.185
375 HE2 PHE 9 HE2 PHE 9 -7.647 -2.924 -1.330
376 HZ PHE 9 HZ PHE 9 -8.610 -1.060 -0.276
377 H THR 10 H THR 10 -14.695 -4.435 -1.611
378 HA THR 10 HA THR 10 -15.996 -6.250 -3.672
379 HB THR 10 HB THR 10 -17.951 -6.530 -2.480
380 HG1 THR 10 HG1 THR 10 -18.399 -5.344 -0.588
381 1HG2 THR 10 1HG2 THR 10 -15.761 -6.490 -0.344
382 2HG2 THR 10 2HG2 THR 10 -16.227 -7.910 -1.345
383 3HG2 THR 10 3HG2 THR 10 -17.223 -7.358 -0.053
384 H SER 11 H SER 11 -18.092 -5.317 -4.354
385 HA SER 11 HA SER 11 -17.692 -2.864 -5.749
386 1HB SER 11 1HB SER 11 -18.995 -4.774 -6.605
387 2HB SER 11 2HB SER 11 -20.124 -4.599 -5.275
388 HG SER 11 HG SER 11 -20.842 -3.870 -7.441
389 H SER 12 H SER 12 -19.915 -3.575 -2.946
390 HA SER 12 HA SER 12 -20.937 -0.989 -2.607
391 1HB SER 12 1HB SER 12 -20.022 -2.924 -0.376
392 2HB SER 12 2HB SER 12 -21.102 -1.542 -0.116
393 HG SER 12 HG SER 12 -22.648 -2.989 -0.676
394 H GLN 13 H GLN 13 -17.751 -2.208 -1.773
395 HA GLN 13 HA GLN 13 -17.279 0.106 0.012
396 1HB GLN 13 1HB GLN 13 -15.431 -2.109 -1.029
397 2HB GLN 13 2HB GLN 13 -14.994 -0.820 0.179
398 1HG GLN 13 1HG GLN 13 -16.982 -1.666 1.549
399 2HG GLN 13 2HG GLN 13 -17.074 -3.042 0.510
400 1HE2 GLN 13 1HE2 GLN 13 -15.583 -2.156 3.490
401 2HE2 GLN 13 2HE2 GLN 13 -14.253 -3.295 3.161
402 H ILE 14 H ILE 14 -15.867 -0.957 -3.102
403 HA ILE 14 HA ILE 14 -14.563 1.454 -3.580
404 HB ILE 14 HB ILE 14 -15.791 -0.356 -5.647
405 1HG1 ILE 14 1HG1 ILE 14 -12.914 -0.426 -4.635
406 2HG1 ILE 14 2HG1 ILE 14 -14.261 -1.443 -4.067
407 1HG2 ILE 14 1HG2 ILE 14 -13.503 1.668 -5.808
408 2HG2 ILE 14 2HG2 ILE 14 -14.233 0.778 -7.223
409 3HG2 ILE 14 3HG2 ILE 14 -14.954 2.095 -6.554
410 1HD1 ILE 14 1HD1 ILE 14 -14.370 -2.491 -6.356
411 2HD1 ILE 14 2HD1 ILE 14 -13.310 -1.391 -6.983
412 3HD1 ILE 14 3HD1 ILE 14 -12.676 -2.495 -5.683
413 H ALA 15 H ALA 15 -17.925 0.745 -3.996
414 HA ALA 15 HA ALA 15 -18.814 3.206 -5.245
415 1HB ALA 15 1HB ALA 15 -19.992 1.001 -3.525
416 2HB ALA 15 2HB ALA 15 -21.082 2.288 -4.019
417 3HB ALA 15 3HB ALA 15 -20.202 1.196 -5.181
418 H GLU 16 H GLU 16 -18.573 2.593 -1.676
419 HA GLU 16 HA GLU 16 -19.548 5.215 -0.932
420 1HB GLU 16 1HB GLU 16 -17.696 3.151 0.194
421 2HB GLU 16 2HB GLU 16 -17.934 4.623 1.032
422 1HG GLU 16 1HG GLU 16 -19.820 2.451 0.825
423 2HG GLU 16 2HG GLU 16 -18.948 3.189 2.266
424 H LEU 17 H LEU 17 -16.276 3.658 -1.431
425 HA LEU 17 HA LEU 17 -14.684 5.592 -0.545
426 1HB LEU 17 1HB LEU 17 -14.430 3.311 -2.472
427 2HB LEU 17 2HB LEU 17 -13.114 4.480 -2.375
428 HG LEU 17 HG LEU 17 -14.373 3.115 0.061
429 1HD1 LEU 17 1HD1 LEU 17 -12.378 1.772 0.346
430 2HD1 LEU 17 2HD1 LEU 17 -11.707 2.101 -1.182
431 3HD1 LEU 17 3HD1 LEU 17 -13.300 1.136 -1.011
432 1HD2 LEU 17 1HD2 LEU 17 -11.486 4.232 -0.268
433 2HD2 LEU 17 2HD2 LEU 17 -12.477 3.826 1.153
434 3HD2 LEU 17 3HD2 LEU 17 -12.761 5.248 0.201
435 H GLU 18 H GLU 18 -15.744 5.079 -4.058
436 HA GLU 18 HA GLU 18 -14.830 7.520 -5.241
437 1HB GLU 18 1HB GLU 18 -17.206 5.589 -5.707
438 2HB GLU 18 2HB GLU 18 -16.683 6.921 -6.832
439 1HG GLU 18 1HG GLU 18 -14.911 4.574 -6.179
440 2HG GLU 18 2HG GLU 18 -16.085 4.477 -7.431
441 H GLN 19 H GLN 19 -18.009 6.806 -3.478
442 HA GLN 19 HA GLN 19 -19.057 9.165 -4.339
443 1HB GLN 19 1HB GLN 19 -20.208 7.359 -3.591
444 2HB GLN 19 2HB GLN 19 -19.656 7.606 -1.890
445 1HG GLN 19 1HG GLN 19 -22.186 8.255 -2.189
446 2HG GLN 19 2HG GLN 19 -21.119 9.614 -1.745
447 1HE2 GLN 19 1HE2 GLN 19 -21.987 11.286 -2.737
448 2HE2 GLN 19 2HE2 GLN 19 -22.186 11.482 -4.499
449 H HIS 20 H HIS 20 -17.333 8.533 -1.367
450 HA HIS 20 HA HIS 20 -17.401 11.375 -0.566
451 1HB HIS 20 1HB HIS 20 -16.046 8.864 0.504
452 2HB HIS 20 2HB HIS 20 -16.072 10.401 1.356
453 HD1 HIS 20 HD1 HIS 20 -18.741 11.224 1.924
454 HD2 HIS 20 HD2 HIS 20 -18.209 7.175 1.076
455 HE1 HIS 20 HE1 HIS 20 -20.842 10.069 2.835
456 H PHE 21 H PHE 21 -14.983 9.344 -2.085
457 HA PHE 21 HA PHE 21 -12.917 11.259 -2.259
458 1HB PHE 21 1HB PHE 21 -12.263 9.340 -3.570
459 2HB PHE 21 2HB PHE 21 -13.981 9.327 -4.187
460 HD1 PHE 21 HD1 PHE 21 -14.796 10.407 -5.860
461 HD2 PHE 21 HD2 PHE 21 -10.595 10.538 -5.101
462 HE1 PHE 21 HE1 PHE 21 -14.544 11.521 -8.042
463 HE2 PHE 21 HE2 PHE 21 -10.344 11.936 -7.209
464 HZ PHE 21 HZ PHE 21 -12.248 12.224 -8.803
465 H LEU 22 H LEU 22 -16.079 11.244 -4.005
466 HA LEU 22 HA LEU 22 -15.819 13.462 -5.715
467 1HB LEU 22 1HB LEU 22 -18.241 13.008 -3.990
468 2HB LEU 22 2HB LEU 22 -18.084 13.835 -5.646
469 HG LEU 22 HG LEU 22 -18.151 10.887 -5.438
470 1HD1 LEU 22 1HD1 LEU 22 -20.292 11.177 -6.334
471 2HD1 LEU 22 2HD1 LEU 22 -19.965 12.835 -6.729
472 3HD1 LEU 22 3HD1 LEU 22 -20.171 12.247 -4.927
473 1HD2 LEU 22 1HD2 LEU 22 -18.026 11.119 -7.928
474 2HD2 LEU 22 2HD2 LEU 22 -16.536 11.586 -7.218
475 3HD2 LEU 22 3HD2 LEU 22 -17.659 12.818 -7.769
476 H GLN 23 H GLN 23 -15.910 13.465 -2.433
477 HA GLN 23 HA GLN 23 -16.410 16.425 -2.072
478 1HB GLN 23 1HB GLN 23 -16.337 14.512 0.196
479 2HB GLN 23 2HB GLN 23 -17.174 16.006 -0.041
480 1HG GLN 23 1HG GLN 23 -17.988 13.238 -1.148
481 2HG GLN 23 2HG GLN 23 -18.576 14.085 0.222
482 1HE2 GLN 23 1HE2 GLN 23 -20.006 13.281 -2.153
483 2HE2 GLN 23 2HE2 GLN 23 -20.765 14.727 -2.860
484 H GLY 24 H GLY 24 -13.920 14.144 -2.180
485 1HA GLY 24 1HA GLY 24 -11.849 15.868 -1.001
486 2HA GLY 24 2HA GLY 24 -12.217 14.514 -0.039
487 H ARG 25 H ARG 25 -11.210 15.432 -3.424
488 HA ARG 25 HA ARG 25 -10.541 12.911 -4.333
489 1HB ARG 25 1HB ARG 25 -9.656 15.681 -5.169
490 2HB ARG 25 2HB ARG 25 -9.422 14.170 -5.981
491 1HG ARG 25 1HG ARG 25 -11.918 13.769 -6.135
492 2HG ARG 25 2HG ARG 25 -12.292 15.336 -5.445
493 1HD ARG 25 1HD ARG 25 -10.890 14.776 -7.988
494 2HD ARG 25 2HD ARG 25 -12.583 15.015 -7.758
495 HE ARG 25 HE ARG 25 -10.759 17.307 -6.807
496 1HH1 ARG 25 2HH1 ARG 25 -13.301 16.370 -8.490
497 2HH1 ARG 25 1HH1 ARG 25 -13.516 17.909 -9.396
498 1HH2 ARG 25 2HH2 ARG 25 -10.611 19.086 -7.944
499 2HH2 ARG 25 1HH2 ARG 25 -11.869 19.485 -8.997
500 H TYR 26 H TYR 26 -8.586 14.730 -2.073
501 HA TYR 26 HA TYR 26 -6.407 12.718 -2.218
502 1HB TYR 26 1HB TYR 26 -6.065 15.659 -1.548
503 2HB TYR 26 2HB TYR 26 -4.865 14.343 -1.755
504 HD1 TYR 26 HD1 TYR 26 -7.334 16.441 -3.816
505 HD2 TYR 26 HD2 TYR 26 -4.309 13.452 -3.624
506 HE1 TYR 26 HE1 TYR 26 -7.300 16.344 -6.298
507 HE2 TYR 26 HE2 TYR 26 -4.018 13.499 -6.083
508 HH TYR 26 HH TYR 26 -6.092 15.356 -8.156
509 H LEU 27 H LEU 27 -6.284 11.443 -0.473
510 HA LEU 27 HA LEU 27 -7.788 12.122 1.775
511 1HB LEU 27 1HB LEU 27 -5.124 10.338 1.745
512 2HB LEU 27 2HB LEU 27 -6.100 10.509 3.098
513 HG LEU 27 HG LEU 27 -6.657 8.578 2.121
514 1HD1 LEU 27 1HD1 LEU 27 -8.804 10.377 0.902
515 2HD1 LEU 27 2HD1 LEU 27 -8.901 9.486 2.489
516 3HD1 LEU 27 3HD1 LEU 27 -8.996 8.714 0.830
517 1HD2 LEU 27 1HD2 LEU 27 -6.884 7.990 -0.178
518 2HD2 LEU 27 2HD2 LEU 27 -5.414 8.867 0.284
519 3HD2 LEU 27 3HD2 LEU 27 -6.881 9.623 -0.622
520 H THR 28 H THR 28 -7.268 12.469 3.874
521 HA THR 28 HA THR 28 -4.980 13.830 5.089
522 HB THR 28 HB THR 28 -6.598 15.529 5.941
523 HG1 THR 28 HG1 THR 28 -8.448 15.937 4.614
524 1HG2 THR 28 1HG2 THR 28 -4.989 16.237 4.147
525 2HG2 THR 28 2HG2 THR 28 -6.596 17.091 4.194
526 3HG2 THR 28 3HG2 THR 28 -6.241 15.968 2.932
527 H ALA 29 H ALA 29 -5.546 13.927 7.306
528 HA ALA 29 HA ALA 29 -6.452 11.255 8.029
529 1HB ALA 29 1HB ALA 29 -6.172 11.837 10.303
530 2HB ALA 29 2HB ALA 29 -5.126 13.050 9.408
531 3HB ALA 29 3HB ALA 29 -6.760 13.418 10.026
532 HA PRO 30 HA PRO 30 -10.938 12.986 8.949
533 1HB PRO 30 1HB PRO 30 -11.601 15.073 7.053
534 2HB PRO 30 2HB PRO 30 -11.470 15.237 8.804
535 1HG PRO 30 1HG PRO 30 -9.556 15.801 6.485
536 2HG PRO 30 2HG PRO 30 -9.655 16.626 8.008
537 1HD PRO 30 1HD PRO 30 -7.750 14.968 7.607
538 2HD PRO 30 2HD PRO 30 -8.576 15.150 9.287
539 H ARG 31 H ARG 31 -9.547 13.325 5.718
540 HA ARG 31 HA ARG 31 -11.921 12.238 4.415
541 1HB ARG 31 1HB ARG 31 -9.044 12.675 3.588
542 2HB ARG 31 2HB ARG 31 -10.096 11.408 2.786
543 1HG ARG 31 1HG ARG 31 -10.114 13.573 1.590
544 2HG ARG 31 2HG ARG 31 -11.695 13.014 2.134
545 1HD ARG 31 1HD ARG 31 -11.128 14.444 4.389
546 2HD ARG 31 2HD ARG 31 -10.297 15.369 3.041
547 HE ARG 31 HE ARG 31 -12.807 14.757 2.129
548 1HH1 ARG 31 2HH1 ARG 31 -11.382 17.034 4.520
549 2HH1 ARG 31 1HH1 ARG 31 -12.863 17.903 4.621
550 1HH2 ARG 31 2HH2 ARG 31 -14.376 16.247 1.936
551 2HH2 ARG 31 1HH2 ARG 31 -14.528 17.538 3.084
552 H LEU 32 H LEU 32 -8.881 10.647 4.896
553 HA LEU 32 HA LEU 32 -9.293 8.090 4.574
554 1HB LEU 32 1HB LEU 32 -7.241 9.624 4.957
555 2HB LEU 32 2HB LEU 32 -7.492 9.333 6.659
556 HG LEU 32 HG LEU 32 -6.548 7.452 4.414
557 1HD1 LEU 32 1HD1 LEU 32 -5.431 8.856 6.713
558 2HD1 LEU 32 2HD1 LEU 32 -4.961 8.906 4.958
559 3HD1 LEU 32 3HD1 LEU 32 -4.598 7.493 6.034
560 1HD2 LEU 32 1HD2 LEU 32 -7.933 6.069 6.025
561 2HD2 LEU 32 2HD2 LEU 32 -7.061 6.921 7.344
562 3HD2 LEU 32 3HD2 LEU 32 -6.149 5.850 6.278
563 H ALA 33 H ALA 33 -9.794 9.673 7.714
564 HA ALA 33 HA ALA 33 -10.512 7.296 9.147
565 1HB ALA 33 1HB ALA 33 -11.211 10.008 10.284
566 2HB ALA 33 2HB ALA 33 -10.729 8.426 10.944
567 3HB ALA 33 3HB ALA 33 -9.515 9.438 10.201
568 H ASP 34 H ASP 34 -12.450 10.008 7.663
569 HA ASP 34 HA ASP 34 -15.088 9.358 8.576
570 1HB ASP 34 1HB ASP 34 -14.445 11.469 7.423
571 2HB ASP 34 2HB ASP 34 -13.993 10.506 6.132
572 H LEU 35 H LEU 35 -13.051 8.354 5.541
573 HA LEU 35 HA LEU 35 -15.094 6.602 4.841
574 1HB LEU 35 1HB LEU 35 -12.745 7.584 3.706
575 2HB LEU 35 2HB LEU 35 -12.488 5.884 3.525
576 HG LEU 35 HG LEU 35 -14.126 5.681 1.869
577 1HD1 LEU 35 1HD1 LEU 35 -15.966 7.031 1.472
578 2HD1 LEU 35 2HD1 LEU 35 -15.432 8.242 2.825
579 3HD1 LEU 35 3HD1 LEU 35 -16.218 6.694 3.135
580 1HD2 LEU 35 1HD2 LEU 35 -12.404 7.376 1.291
581 2HD2 LEU 35 2HD2 LEU 35 -13.499 8.621 1.744
582 3HD2 LEU 35 3HD2 LEU 35 -14.000 7.601 0.405
583 H SER 36 H SER 36 -12.148 5.918 6.827
584 HA SER 36 HA SER 36 -12.274 3.014 6.688
585 1HB SER 36 1HB SER 36 -10.921 4.648 8.886
586 2HB SER 36 2HB SER 36 -10.598 2.980 8.401
587 HG SER 36 HG SER 36 -10.049 5.223 6.926
588 H ALA 37 H ALA 37 -13.898 5.442 8.849
589 HA ALA 37 HA ALA 37 -15.271 3.357 10.394
590 1HB ALA 37 1HB ALA 37 -15.220 5.663 11.502
591 2HB ALA 37 2HB ALA 37 -15.414 6.414 9.967
592 3HB ALA 37 3HB ALA 37 -16.777 5.558 10.737
593 H LYS 38 H LYS 38 -16.246 5.600 7.629
594 HA LYS 38 HA LYS 38 -18.892 4.594 7.268
595 1HB LYS 38 1HB LYS 38 -17.727 6.594 6.192
596 2HB LYS 38 2HB LYS 38 -16.913 5.427 5.191
597 1HG LYS 38 1HG LYS 38 -18.843 6.289 3.844
598 2HG LYS 38 2HG LYS 38 -19.140 4.631 4.261
599 1HD LYS 38 1HD LYS 38 -20.956 6.098 4.339
600 2HD LYS 38 2HD LYS 38 -20.765 5.287 5.968
601 1HE LYS 38 1HE LYS 38 -20.162 7.352 6.992
602 2HE LYS 38 2HE LYS 38 -19.986 8.236 5.422
603 1HZ LYS 38 1HZ LYS 38 -21.873 8.733 6.765
604 2HZ LYS 38 2HZ LYS 38 -22.368 7.184 6.768
605 3HZ LYS 38 3HZ LYS 38 -22.421 7.977 5.362
606 H LEU 39 H LEU 39 -16.037 3.589 5.241
607 HA LEU 39 HA LEU 39 -17.399 1.447 4.154
608 1HB LEU 39 1HB LEU 39 -14.595 2.173 4.541
609 2HB LEU 39 2HB LEU 39 -14.901 0.720 3.652
610 HG LEU 39 HG LEU 39 -14.414 2.589 2.058
611 1HD1 LEU 39 1HD1 LEU 39 -16.191 1.889 0.694
612 2HD1 LEU 39 2HD1 LEU 39 -17.103 1.132 2.019
613 3HD1 LEU 39 3HD1 LEU 39 -15.490 0.509 1.608
614 1HD2 LEU 39 1HD2 LEU 39 -17.062 3.834 2.842
615 2HD2 LEU 39 2HD2 LEU 39 -15.830 4.378 1.777
616 3HD2 LEU 39 3HD2 LEU 39 -15.515 4.360 3.538
617 H ALA 40 H ALA 40 -15.863 1.631 7.192
618 HA ALA 40 HA ALA 40 -15.149 0.139 8.644
619 1HB ALA 40 1HB ALA 40 -16.431 -1.831 9.125
620 2HB ALA 40 2HB ALA 40 -17.621 -0.522 8.616
621 3HB ALA 40 3HB ALA 40 -17.181 -1.863 7.540
622 H LEU 41 H LEU 41 -13.322 0.561 7.395
623 HA LEU 41 HA LEU 41 -11.943 -2.070 6.827
624 1HB LEU 41 1HB LEU 41 -11.984 0.475 5.011
625 2HB LEU 41 2HB LEU 41 -10.721 -0.694 4.974
626 HG LEU 41 HG LEU 41 -13.473 -1.103 3.993
627 1HD1 LEU 41 1HD1 LEU 41 -12.227 -1.926 1.984
628 2HD1 LEU 41 2HD1 LEU 41 -10.733 -1.634 2.973
629 3HD1 LEU 41 3HD1 LEU 41 -11.705 -0.253 2.458
630 1HD2 LEU 41 1HD2 LEU 41 -11.553 -3.178 4.970
631 2HD2 LEU 41 2HD2 LEU 41 -12.562 -3.561 3.660
632 3HD2 LEU 41 3HD2 LEU 41 -13.410 -3.088 5.119
633 H GLY 42 H GLY 42 -9.500 -1.502 6.686
634 1HA GLY 42 1HA GLY 42 -8.528 -0.135 9.029
635 2HA GLY 42 2HA GLY 42 -7.744 -0.937 7.753
636 H THR 43 H THR 43 -7.053 1.735 8.832
637 HA THR 43 HA THR 43 -7.585 3.816 6.928
638 HB THR 43 HB THR 43 -5.425 4.766 7.970
639 HG1 THR 43 HG1 THR 43 -4.435 3.169 9.148
640 1HG2 THR 43 1HG2 THR 43 -6.597 5.567 9.886
641 2HG2 THR 43 2HG2 THR 43 -7.727 4.206 9.879
642 3HG2 THR 43 3HG2 THR 43 -7.836 5.367 8.635
643 H ALA 44 H ALA 44 -5.133 1.480 6.872
644 HA ALA 44 HA ALA 44 -3.389 2.573 4.869
645 1HB ALA 44 1HB ALA 44 -4.105 -0.286 5.817
646 2HB ALA 44 2HB ALA 44 -2.629 -0.003 4.807
647 3HB ALA 44 3HB ALA 44 -2.903 0.650 6.490
648 H GLN 45 H GLN 45 -6.183 0.506 4.638
649 HA GLN 45 HA GLN 45 -5.998 0.006 1.998
650 1HB GLN 45 1HB GLN 45 -8.522 0.238 3.711
651 2HB GLN 45 2HB GLN 45 -8.489 -0.500 2.040
652 1HG GLN 45 1HG GLN 45 -8.256 -2.383 3.246
653 2HG GLN 45 2HG GLN 45 -6.728 -2.009 2.828
654 1HE2 GLN 45 1HE2 GLN 45 -7.984 -3.669 5.009
655 2HE2 GLN 45 2HE2 GLN 45 -7.620 -2.835 6.568
656 H VAL 46 H VAL 46 -7.165 3.064 3.486
657 HA VAL 46 HA VAL 46 -8.712 3.761 1.039
658 HB VAL 46 HB VAL 46 -8.126 5.556 3.314
659 1HG1 VAL 46 1HG1 VAL 46 -10.018 6.918 2.648
660 2HG1 VAL 46 2HG1 VAL 46 -9.406 6.399 1.215
661 3HG1 VAL 46 3HG1 VAL 46 -10.765 5.542 1.900
662 1HG2 VAL 46 1HG2 VAL 46 -9.166 3.385 4.337
663 2HG2 VAL 46 2HG2 VAL 46 -9.967 4.906 4.663
664 3HG2 VAL 46 3HG2 VAL 46 -10.589 3.900 3.340
665 H LYS 47 H LYS 47 -5.706 4.882 2.719
666 HA LYS 47 HA LYS 47 -4.899 6.604 0.709
667 1HB LYS 47 1HB LYS 47 -3.637 4.763 2.723
668 2HB LYS 47 2HB LYS 47 -2.524 5.442 1.664
669 1HG LYS 47 1HG LYS 47 -3.462 7.667 2.410
670 2HG LYS 47 2HG LYS 47 -4.674 7.106 3.277
671 1HD LYS 47 1HD LYS 47 -1.693 6.588 3.962
672 2HD LYS 47 2HD LYS 47 -3.046 7.603 4.701
673 1HE LYS 47 1HE LYS 47 -4.097 5.327 5.330
674 2HE LYS 47 2HE LYS 47 -2.520 4.714 4.797
675 1HZ LYS 47 1HZ LYS 47 -1.347 5.919 6.295
676 2HZ LYS 47 2HZ LYS 47 -2.345 4.942 7.061
677 3HZ LYS 47 3HZ LYS 47 -2.807 6.515 6.996
678 H ILE 48 H ILE 48 -3.960 3.183 1.053
679 HA ILE 48 HA ILE 48 -2.636 2.697 -1.360
680 HB ILE 48 HB ILE 48 -3.868 0.519 0.305
681 1HG1 ILE 48 1HG1 ILE 48 -1.200 1.852 0.019
682 2HG1 ILE 48 2HG1 ILE 48 -2.158 1.941 1.422
683 1HG2 ILE 48 1HG2 ILE 48 -3.596 -0.216 -2.238
684 2HG2 ILE 48 2HG2 ILE 48 -1.962 0.294 -1.979
685 3HG2 ILE 48 3HG2 ILE 48 -2.657 -1.044 -1.042
686 1HD1 ILE 48 1HD1 ILE 48 -0.895 -0.687 0.396
687 2HD1 ILE 48 2HD1 ILE 48 -0.534 0.281 1.791
688 3HD1 ILE 48 3HD1 ILE 48 -2.188 -0.497 1.624
689 H TRP 49 H TRP 49 -6.274 2.468 -0.752
690 HA TRP 49 HA TRP 49 -6.865 1.918 -3.373
691 1HB TRP 49 1HB TRP 49 -8.615 1.908 -1.410
692 2HB TRP 49 2HB TRP 49 -8.546 3.563 -1.483
693 HD1 TRP 49 HD1 TRP 49 -8.759 1.217 -4.365
694 HE1 TRP 49 HE1 TRP 49 -10.686 1.812 -5.946
695 HE3 TRP 49 HE3 TRP 49 -10.183 5.379 -1.971
696 HZ2 TRP 49 HZ2 TRP 49 -12.376 4.190 -6.300
697 HZ3 TRP 49 HZ3 TRP 49 -11.783 6.965 -2.988
698 HH2 TRP 49 HH2 TRP 49 -12.811 6.512 -5.184
699 H PHE 50 H PHE 50 -6.724 5.260 -2.073
700 HA PHE 50 HA PHE 50 -7.454 6.534 -4.528
701 1HB PHE 50 1HB PHE 50 -5.791 7.679 -2.251
702 2HB PHE 50 2HB PHE 50 -6.138 8.496 -3.738
703 HD1 PHE 50 HD1 PHE 50 -7.538 10.120 -3.366
704 HD2 PHE 50 HD2 PHE 50 -8.342 6.331 -1.713
705 HE1 PHE 50 HE1 PHE 50 -9.895 10.914 -2.347
706 HE2 PHE 50 HE2 PHE 50 -10.555 7.098 -0.796
707 HZ PHE 50 HZ PHE 50 -11.268 9.392 -1.121
708 H LYS 51 H LYS 51 -4.296 5.476 -3.352
709 HA LYS 51 HA LYS 51 -2.405 6.423 -5.397
710 1HB LYS 51 1HB LYS 51 -2.331 4.202 -3.443
711 2HB LYS 51 2HB LYS 51 -1.299 3.988 -4.806
712 1HG LYS 51 1HG LYS 51 -0.261 6.131 -4.333
713 2HG LYS 51 2HG LYS 51 -1.318 6.589 -3.080
714 1HD LYS 51 1HD LYS 51 0.903 5.808 -2.282
715 2HD LYS 51 2HD LYS 51 -0.593 5.266 -1.536
716 1HE LYS 51 1HE LYS 51 0.605 3.344 -1.606
717 2HE LYS 51 2HE LYS 51 -0.373 3.147 -3.002
718 1HZ LYS 51 1HZ LYS 51 1.529 3.828 -4.388
719 2HZ LYS 51 2HZ LYS 51 2.115 2.796 -3.267
720 3HZ LYS 51 3HZ LYS 51 2.379 4.355 -3.105
721 H ASN 52 H ASN 52 -4.045 3.225 -4.999
722 HA ASN 52 HA ASN 52 -3.100 2.712 -7.666
723 1HB ASN 52 1HB ASN 52 -4.293 0.530 -7.471
724 2HB ASN 52 2HB ASN 52 -3.670 0.868 -5.858
725 1HD2 ASN 52 1HD2 ASN 52 -5.065 0.337 -4.350
726 2HD2 ASN 52 2HD2 ASN 52 -6.722 0.157 -4.510
727 H ARG 53 H ARG 53 -6.228 4.155 -6.588
728 HA ARG 53 HA ARG 53 -7.693 4.019 -8.820
729 1HB ARG 53 1HB ARG 53 -8.235 5.057 -6.545
730 2HB ARG 53 2HB ARG 53 -7.509 6.530 -7.177
731 1HG ARG 53 1HG ARG 53 -9.185 6.159 -9.196
732 2HG ARG 53 2HG ARG 53 -10.028 4.991 -8.141
733 1HD ARG 53 1HD ARG 53 -10.177 6.886 -6.499
734 2HD ARG 53 2HD ARG 53 -9.369 7.975 -7.688
735 HE ARG 53 HE ARG 53 -12.158 7.114 -7.653
736 1HH1 ARG 53 2HH1 ARG 53 -9.648 8.919 -9.530
737 2HH1 ARG 53 1HH1 ARG 53 -10.761 9.209 -10.768
738 1HH2 ARG 53 2HH2 ARG 53 -13.512 8.137 -9.118
739 2HH2 ARG 53 1HH2 ARG 53 -12.969 8.940 -10.495
740 H ARG 54 H ARG 54 -5.284 6.575 -8.150
741 HA ARG 54 HA ARG 54 -5.690 7.868 -10.528
742 1HB ARG 54 1HB ARG 54 -3.272 7.960 -8.802
743 2HB ARG 54 2HB ARG 54 -3.553 9.095 -10.074
744 1HG ARG 54 1HG ARG 54 -5.436 10.100 -9.414
745 2HG ARG 54 2HG ARG 54 -5.810 8.952 -8.264
746 1HD ARG 54 1HD ARG 54 -3.629 9.397 -7.169
747 2HD ARG 54 2HD ARG 54 -3.519 10.821 -8.236
748 HE ARG 54 HE ARG 54 -5.642 11.525 -7.020
749 1HH1 ARG 54 2HH1 ARG 54 -4.241 8.806 -5.525
750 2HH1 ARG 54 1HH1 ARG 54 -4.097 9.567 -3.919
751 1HH2 ARG 54 2HH2 ARG 54 -6.267 11.923 -4.870
752 2HH2 ARG 54 1HH2 ARG 54 -5.312 11.165 -3.615
753 H ARG 55 H ARG 55 -3.086 5.655 -9.547
754 HA ARG 55 HA ARG 55 -1.486 5.483 -11.964
755 1HB ARG 55 1HB ARG 55 -1.801 3.918 -9.508
756 2HB ARG 55 2HB ARG 55 -1.249 3.139 -10.925
757 1HG ARG 55 1HG ARG 55 0.117 5.680 -9.821
758 2HG ARG 55 2HG ARG 55 0.564 4.167 -9.249
759 1HD ARG 55 1HD ARG 55 0.589 4.894 -12.223
760 2HD ARG 55 2HD ARG 55 1.809 5.088 -10.984
761 HE ARG 55 HE ARG 55 0.969 2.329 -11.466
762 1HH1 ARG 55 2HH1 ARG 55 3.125 4.896 -12.198
763 2HH1 ARG 55 1HH1 ARG 55 4.200 3.802 -12.994
764 1HH2 ARG 55 2HH2 ARG 55 3.117 0.876 -11.939
765 2HH2 ARG 55 1HH2 ARG 55 4.345 1.879 -12.545
766 H ARG 56 H ARG 56 -3.933 3.176 -11.126
767 HA ARG 56 HA ARG 56 -4.543 2.024 -13.512
768 1HB ARG 56 1HB ARG 56 -5.641 1.460 -11.432
769 2HB ARG 56 2HB ARG 56 -6.573 2.915 -11.448
770 1HG ARG 56 1HG ARG 56 -8.095 2.154 -13.035
771 2HG ARG 56 2HG ARG 56 -6.953 0.929 -13.683
772 1HD ARG 56 1HD ARG 56 -8.726 -0.105 -12.540
773 2HD ARG 56 2HD ARG 56 -7.209 -0.160 -11.535
774 HE ARG 56 HE ARG 56 -9.471 1.754 -10.859
775 1HH1 ARG 56 2HH1 ARG 56 -6.531 0.130 -9.899
776 2HH1 ARG 56 1HH1 ARG 56 -6.787 0.597 -8.251
777 1HH2 ARG 56 2HH2 ARG 56 -9.833 1.975 -8.623
778 2HH2 ARG 56 1HH2 ARG 56 -8.485 1.592 -7.590
779 H HIS 57 H HIS 57 -6.126 4.937 -12.452
780 HA HIS 57 HA HIS 57 -7.720 5.739 -14.743
781 1HB HIS 57 1HB HIS 57 -8.044 6.651 -12.663
782 2HB HIS 57 2HB HIS 57 -6.415 7.320 -12.558
783 HD1 HIS 57 HD1 HIS 57 -9.691 7.826 -14.687
784 HD2 HIS 57 HD2 HIS 57 -6.016 9.712 -13.940
785 HE1 HIS 57 HE1 HIS 57 -9.789 9.930 -15.882
786 H LYS 58 H LYS 58 -4.380 6.828 -14.013
787 HA LYS 58 HA LYS 58 -4.140 7.928 -16.772
788 1HB LYS 58 1HB LYS 58 -2.068 8.758 -16.245
789 2HB LYS 58 2HB LYS 58 -2.902 8.833 -14.668
790 1HG LYS 58 1HG LYS 58 -1.918 6.743 -13.929
791 2HG LYS 58 2HG LYS 58 -0.856 6.778 -15.299
792 1HD LYS 58 1HD LYS 58 0.404 8.079 -13.545
793 2HD LYS 58 2HD LYS 58 -0.443 9.288 -14.390
794 1HE LYS 58 1HE LYS 58 -2.396 8.941 -12.500
795 2HE LYS 58 2HE LYS 58 -1.282 7.857 -11.856
796 1HZ LYS 58 1HZ LYS 58 0.278 9.774 -11.814
797 2HZ LYS 58 2HZ LYS 58 -1.148 10.199 -10.900
798 3HZ LYS 58 3HZ LYS 58 -0.899 10.705 -12.464
799 H ILE 59 H ILE 59 -3.023 4.844 -15.373
800 HA ILE 59 HA ILE 59 -1.506 3.969 -17.647
801 HB ILE 59 HB ILE 59 -3.037 2.740 -15.423
802 1HG1 ILE 59 1HG1 ILE 59 -0.223 2.565 -16.253
803 2HG1 ILE 59 2HG1 ILE 59 -0.819 3.804 -15.217
804 1HG2 ILE 59 1HG2 ILE 59 -1.548 1.039 -17.506
805 2HG2 ILE 59 2HG2 ILE 59 -2.146 0.492 -16.006
806 3HG2 ILE 59 3HG2 ILE 59 -3.390 0.973 -17.130
807 1HD1 ILE 59 1HD1 ILE 59 0.072 2.587 -13.647
808 2HD1 ILE 59 2HD1 ILE 59 -1.515 1.798 -13.567
809 3HD1 ILE 59 3HD1 ILE 59 -0.298 0.948 -14.412
810 H GLN 60 H GLN 60 -4.934 3.539 -16.879
811 HA GLN 60 HA GLN 60 -5.857 2.435 -19.348
812 1HB GLN 60 1HB GLN 60 -7.309 4.094 -17.203
813 2HB GLN 60 2HB GLN 60 -8.109 3.443 -18.568
814 1HG GLN 60 1HG GLN 60 -7.440 1.144 -17.915
815 2HG GLN 60 2HG GLN 60 -6.426 1.831 -16.572
816 1HE2 GLN 60 1HE2 GLN 60 -8.026 0.171 -15.580
817 2HE2 GLN 60 2HE2 GLN 60 -9.608 0.825 -15.065
818 H SER 61 H SER 61 -5.136 5.876 -18.739
819 HA SER 61 HA SER 61 -6.351 6.589 -21.299
820 1HB SER 61 1HB SER 61 -4.310 8.241 -19.798
821 2HB SER 61 2HB SER 61 -5.287 8.756 -21.181
822 HG SER 61 HG SER 61 -6.798 7.635 -19.188
823 H ASP 62 H ASP 62 -3.323 5.149 -20.331
824 HA ASP 62 HA ASP 62 -1.898 5.725 -22.914
825 1HB ASP 62 1HB ASP 62 -1.122 5.752 -20.320
826 2HB ASP 62 2HB ASP 62 -0.773 4.009 -20.830
827 H GLN 63 H GLN 63 -4.380 3.860 -22.662
828 HA GLN 63 HA GLN 63 -3.303 1.473 -24.089
829 1HB GLN 63 1HB GLN 63 -5.517 1.849 -21.925
830 2HB GLN 63 2HB GLN 63 -5.463 0.452 -22.951
831 1HG GLN 63 1HG GLN 63 -2.961 0.191 -22.090
832 2HG GLN 63 2HG GLN 63 -3.398 1.454 -21.011
833 1HE2 GLN 63 1HE2 GLN 63 -3.558 -2.015 -21.317
834 2HE2 GLN 63 2HE2 GLN 63 -4.736 -2.267 -20.055
835 H HIS 64 H HIS 64 -5.089 0.400 -25.306
836 HA HIS 64 HA HIS 64 -6.331 1.961 -27.316
837 1HB HIS 64 1HB HIS 64 -5.521 -0.484 -27.166
838 2HB HIS 64 2HB HIS 64 -7.138 -0.818 -26.528
839 HD1 HIS 64 HD1 HIS 64 -5.451 0.646 -29.631
840 HD2 HIS 64 HD2 HIS 64 -9.074 -0.526 -28.139
841 HE1 HIS 64 HE1 HIS 64 -6.938 0.578 -31.638
842 H LYS 65 H LYS 65 -8.684 2.285 -27.819
843 HA LYS 65 HA LYS 65 -10.366 2.564 -25.482
844 1HB LYS 65 1HB LYS 65 -9.736 4.651 -27.598
845 2HB LYS 65 2HB LYS 65 -10.888 4.723 -26.232
846 1HG LYS 65 1HG LYS 65 -9.117 4.761 -24.627
847 2HG LYS 65 2HG LYS 65 -7.888 4.436 -25.873
848 1HD LYS 65 1HD LYS 65 -8.282 6.715 -26.670
849 2HD LYS 65 2HD LYS 65 -9.658 6.823 -25.478
850 1HE LYS 65 1HE LYS 65 -8.104 6.375 -23.652
851 2HE LYS 65 2HE LYS 65 -6.787 6.476 -24.739
852 1HZ LYS 65 1HZ LYS 65 -7.877 8.757 -23.666
853 2HZ LYS 65 2HZ LYS 65 -8.208 8.815 -25.252
854 3HZ LYS 65 3HZ LYS 65 -6.739 8.678 -24.817
855 H ASP 66 H ASP 66 -10.744 0.445 -26.989
856 HA ASP 66 HA ASP 66 -13.139 1.096 -28.618
857 1HB ASP 66 1HB ASP 66 -11.074 0.632 -30.134
858 2HB ASP 66 2HB ASP 66 -11.368 -1.064 -29.797
859 H GLN 67 H GLN 67 -12.082 -0.487 -25.988
860 HA GLN 67 HA GLN 67 -13.647 -3.035 -26.168
861 1HB GLN 67 1HB GLN 67 -12.004 -4.219 -25.141
862 2HB GLN 67 2HB GLN 67 -11.223 -3.507 -26.512
863 1HG GLN 67 1HG GLN 67 -11.136 -2.756 -23.538
864 2HG GLN 67 2HG GLN 67 -9.895 -3.566 -24.451
865 1HE2 GLN 67 1HE2 GLN 67 -10.097 -0.857 -22.792
866 2HE2 GLN 67 2HE2 GLN 67 -9.239 0.209 -23.847
867 H SER 68 H SER 68 -13.128 -0.190 -24.384
868 HA SER 68 HA SER 68 -14.451 -1.115 -21.860
869 1HB SER 68 1HB SER 68 -12.143 0.745 -22.375
870 2HB SER 68 2HB SER 68 -13.121 0.893 -20.936
871 HG SER 68 HG SER 68 -12.695 -1.421 -20.728
Start of MODEL 16
1 1H5* G 69 1H5* G 69 8.606 -24.591 -9.682
2 2H5* G 69 2H5* G 69 10.020 -23.857 -10.417
3 H4* G 69 H4* G 69 8.515 -23.511 -11.924
4 H3* G 69 H3* G 69 9.533 -21.103 -10.942
5 H1* G 69 H1* G 69 5.957 -21.611 -11.920
6 H8 G 69 H8 G 69 6.313 -22.178 -8.096
7 H1 G 69 H1 G 69 0.229 -21.545 -10.087
8 1H2 G 69 1H2 G 69 1.604 -21.149 -13.113
9 2H2 G 69 2H2 G 69 0.223 -21.491 -12.182
10 H5T G 69 H5T G 69 9.693 -22.140 -8.819
11 1H2* G 69 1H2* G 69 7.552 -20.820 -9.426
12 2H2* G 69 2H2* G 69 7.076 -19.827 -10.858
13 1H5* C 70 1H5* C 70 6.509 -21.429 -14.404
14 2H5* C 70 2H5* C 70 7.408 -20.529 -15.725
15 H4* C 70 H4* C 70 5.111 -20.747 -16.156
16 H3* C 70 H3* C 70 6.440 -18.392 -16.076
17 H1* C 70 H1* C 70 2.918 -18.706 -14.687
18 1H4 C 70 1H4 C 70 3.420 -18.469 -8.329
19 2H4 C 70 2H4 C 70 1.893 -17.524 -8.643
20 H5 C 70 H5 C 70 5.237 -18.447 -9.990
21 H6 C 70 H6 C 70 5.559 -18.709 -12.304
22 1H2* C 70 1H2* C 70 5.521 -17.428 -14.005
23 2H2* C 70 2H2* C 70 4.256 -16.873 -15.198
24 1H5* T 71 1H5* T 71 1.826 -17.836 -17.337
25 2H5* T 71 2H5* T 71 1.636 -16.648 -18.555
26 H4* T 71 H4* T 71 0.109 -16.102 -16.565
27 H3* T 71 H3* T 71 2.527 -14.386 -17.233
28 1H2* T 71 1H2* T 71 2.654 -13.597 -15.223
29 2H2* T 71 2H2* T 71 1.028 -12.991 -15.158
30 H1* T 71 H1* T 71 0.095 -15.016 -14.352
31 H3 T 71 H3 T 71 0.791 -14.613 -10.056
32 1H5M T 71 1H5M T 71 5.331 -14.503 -10.907
33 2H5M T 71 2H5M T 71 5.437 -16.218 -11.172
34 3H5M T 71 3H5M T 71 5.631 -15.052 -12.592
35 H6 T 71 H6 T 71 3.660 -15.318 -13.848
36 1H5* C 72 1H5* C 72 -1.617 -13.006 -16.398
37 2H5* C 72 2H5* C 72 -2.179 -11.505 -17.201
38 H4* C 72 H4* C 72 -3.083 -11.877 -14.990
39 H3* C 72 H3* C 72 -1.917 -9.364 -15.876
40 H1* C 72 H1* C 72 -1.879 -10.823 -12.312
41 1H4 C 72 1H4 C 72 4.536 -11.857 -11.073
42 2H4 C 72 2H4 C 72 3.663 -12.022 -9.530
43 H5 C 72 H5 C 72 3.461 -11.540 -13.164
44 H6 C 72 H6 C 72 1.185 -11.207 -14.208
45 1H2* C 72 1H2* C 72 -0.067 -9.530 -14.336
46 2H2* C 72 2H2* C 72 -1.207 -8.701 -13.242
47 1H5* T 73 1H5* T 73 -4.286 -10.069 -11.782
48 2H5* T 73 2H5* T 73 -5.480 -8.789 -11.685
49 H4* T 73 H4* T 73 -4.498 -9.168 -9.509
50 H3* T 73 H3* T 73 -4.751 -6.683 -10.667
51 1H2* T 73 1H2* T 73 -2.385 -6.667 -11.178
52 2H2* T 73 2H2* T 73 -2.310 -5.725 -9.755
53 H1* T 73 H1* T 73 -2.194 -7.802 -8.432
54 H3 T 73 H3 T 73 2.196 -8.617 -7.923
55 1H5M T 73 1H5M T 73 2.616 -8.226 -12.811
56 2H5M T 73 2H5M T 73 1.358 -7.027 -13.108
57 3H5M T 73 3H5M T 73 2.844 -6.580 -12.198
58 H6 T 73 H6 T 73 -0.507 -7.182 -11.713
59 1H5* A 74 1H5* A 74 -4.558 -7.335 -6.047
60 2H5* A 74 2H5* A 74 -5.637 -6.105 -5.475
61 H4* A 74 H4* A 74 -4.170 -6.910 -3.666
62 H3* A 74 H3* A 74 -4.733 -4.356 -4.085
63 H1* A 74 H1* A 74 -1.082 -5.468 -3.395
64 H8 A 74 H8 A 74 -1.970 -4.226 -6.959
65 1H6 A 74 1H6 A 74 3.942 -5.640 -8.238
66 2H6 A 74 2H6 A 74 2.608 -4.722 -8.969
67 H2 A 74 H2 A 74 3.259 -7.178 -4.468
68 1H2* A 74 1H2* A 74 -2.808 -3.557 -5.037
69 2H2* A 74 2H2* A 74 -2.250 -3.362 -3.414
70 1H5* A 75 1H5* A 75 -1.957 -5.803 -0.942
71 2H5* A 75 2H5* A 75 -2.806 -5.294 0.541
72 H4* A 75 H4* A 75 -0.770 -5.983 1.058
73 H3* A 75 H3* A 75 -1.446 -3.538 1.906
74 H1* A 75 H1* A 75 1.968 -3.860 0.055
75 H8 A 75 H8 A 75 -0.930 -2.430 -2.306
76 1H6 A 75 1H6 A 75 3.719 -2.452 -6.392
77 2H6 A 75 2H6 A 75 2.052 -1.770 -5.959
78 H2 A 75 H2 A 75 4.997 -4.745 -3.014
79 1H2* A 75 1H2* A 75 -0.577 -2.279 0.216
80 2H2* A 75 2H2* A 75 0.904 -2.171 1.168
81 1H5* T 76 1H5* T 76 2.842 -5.241 1.978
82 2H5* T 76 2H5* T 76 3.555 -4.866 3.567
83 H4* T 76 H4* T 76 5.097 -5.186 1.628
84 H3* T 76 H3* T 76 5.579 -3.210 3.570
85 1H2* T 76 1H2* T 76 5.000 -1.415 2.375
86 2H2* T 76 2H2* T 76 6.636 -1.531 1.777
87 H1* T 76 H1* T 76 6.109 -2.832 -0.048
88 H3 T 76 H3 T 76 4.849 -0.374 -3.553
89 1H5M T 76 1H5M T 76 1.696 1.797 -1.017
90 2H5M T 76 2H5M T 76 0.690 0.281 -0.817
91 3H5M T 76 3H5M T 76 1.685 0.861 0.530
92 H6 T 76 H6 T 76 3.195 -0.945 0.966
93 1H5* C 77 1H5* C 77 9.384 -3.449 0.710
94 2H5* C 77 2H5* C 77 10.910 -3.345 1.606
95 H4* C 77 H4* C 77 11.208 -1.844 -0.199
96 H3* C 77 H3* C 77 11.676 -0.837 2.370
97 H1* C 77 H1* C 77 9.917 0.891 -0.315
98 1H4 C 77 1H4 C 77 3.913 2.922 -0.231
99 2H4 C 77 2H4 C 77 4.421 2.641 -1.921
100 H5 C 77 H5 C 77 5.182 1.869 1.586
101 H6 C 77 H6 C 77 7.411 1.029 2.166
102 1H2* C 77 1H2* C 77 9.342 0.115 2.573
103 2H2* C 77 2H2* C 77 10.205 1.560 2.006
104 1H5* C 78 1H5* C 78 13.720 1.277 -1.320
105 2H5* C 78 2H5* C 78 15.127 2.048 -0.813
106 H4* C 78 H4* C 78 14.266 2.960 -2.817
107 H3* C 78 H3* C 78 14.854 4.732 -0.631
108 H1* C 78 H1* C 78 11.972 5.380 -3.042
109 1H4 C 78 1H4 C 78 6.976 4.917 1.274
110 2H4 C 78 2H4 C 78 6.366 5.221 -0.371
111 H5 C 78 H5 C 78 9.196 3.944 1.407
112 H6 C 78 H6 C 78 11.334 3.832 0.330
113 1H2* C 78 1H2* C 78 12.824 5.608 -0.254
114 2H2* C 78 2H2* C 78 13.148 6.580 -1.833
115 1H5* C 79 1H5* C 79 14.178 6.821 -5.107
116 2H5* C 79 2H5* C 79 15.289 8.126 -5.428
117 H4* C 79 H4* C 79 12.975 8.855 -5.965
118 H3* C 79 H3* C 79 14.707 10.295 -4.306
119 H1* C 79 H1* C 79 11.103 9.971 -4.363
120 1H4 C 79 1H4 C 79 8.195 7.607 1.063
121 2H4 C 79 2H4 C 79 7.048 8.543 -0.059
122 H5 C 79 H5 C 79 10.514 7.643 0.583
123 H6 C 79 H6 C 79 12.180 8.203 -1.082
124 1H2* C 79 1H2* C 79 13.399 9.828 -2.425
125 2H2* C 79 2H2* C 79 12.596 11.315 -3.028
126 1H5* C 80 1H5* C 80 10.763 11.937 -6.450
127 2H5* C 80 2H5* C 80 11.564 13.119 -7.454
128 H4* C 80 H4* C 80 9.430 13.694 -7.407
129 H3* C 80 H3* C 80 11.227 15.477 -6.452
130 H1* C 80 H1* C 80 8.054 14.919 -4.506
131 1H4 C 80 1H4 C 80 9.535 11.321 0.971
132 2H4 C 80 2H4 C 80 7.922 11.780 0.903
133 H5 C 80 H5 C 80 11.211 12.327 -0.955
134 H6 C 80 H6 C 80 11.147 13.301 -3.161
135 1H2* C 80 1H2* C 80 11.020 15.191 -4.385
136 2H2* C 80 2H2* C 80 9.687 16.385 -4.400
137 1H5* G 81 1H5* G 81 7.066 17.016 -5.787
138 2H5* G 81 2H5* G 81 6.740 18.529 -6.647
139 H4* G 81 H4* G 81 5.693 18.994 -4.593
140 H3* G 81 H3* G 81 8.232 20.434 -4.904
141 H1* G 81 H1* G 81 6.729 18.891 -1.779
142 H8 G 81 H8 G 81 10.106 17.495 -2.250
143 H1 G 81 H1 G 81 6.486 14.534 2.217
144 1H2 G 81 1H2 G 81 4.089 16.495 0.863
145 2H2 G 81 2H2 G 81 4.460 15.372 2.191
146 H3T G 81 H3T G 81 7.239 21.888 -3.576
147 1H2* G 81 1H2* G 81 9.298 18.962 -3.441
148 2H2* G 81 2H2* G 81 8.852 20.236 -2.340
149 1H5* C 82 1H5* C 82 3.014 13.189 8.847
150 2H5* C 82 2H5* C 82 1.687 12.311 9.362
151 H4* C 82 H4* C 82 0.951 13.874 7.694
152 H3* C 82 H3* C 82 0.769 11.149 7.055
153 H1* C 82 H1* C 82 2.318 13.676 4.448
154 1H4 C 82 1H4 C 82 8.445 11.898 4.305
155 2H4 C 82 2H4 C 82 8.118 13.449 3.458
156 H5 C 82 H5 C 82 6.767 10.853 5.278
157 H6 C 82 H6 C 82 4.299 10.881 6.003
158 H5T C 82 H5T C 82 3.888 11.022 8.481
159 1H2* C 82 1H2* C 82 2.234 10.834 5.490
160 2H2* C 82 2H2* C 82 1.097 11.805 4.307
161 1H5* G 83 1H5* G 83 -1.186 13.665 3.756
162 2H5* G 83 2H5* G 83 -2.880 13.062 3.556
163 H4* G 83 H4* G 83 -2.319 13.842 1.651
164 H3* G 83 H3* G 83 -2.992 11.106 1.328
165 H1* G 83 H1* G 83 0.256 12.417 -0.505
166 H8 G 83 H8 G 83 1.447 10.530 2.606
167 H1 G 83 H1 G 83 6.010 13.353 -0.743
168 1H2 G 83 1H2 G 83 3.209 14.438 -2.488
169 2H2 G 83 2H2 G 83 5.007 14.543 -2.340
170 1H2* G 83 1H2* G 83 -0.534 10.594 1.749
171 2H2* G 83 2H2* G 83 -0.730 10.362 -0.031
172 1H5* G 84 1H5* G 84 -1.310 13.710 -2.284
173 2H5* G 84 2H5* G 84 -2.534 13.237 -3.500
174 H4* G 84 H4* G 84 -0.538 13.915 -4.818
175 H3* G 84 H3* G 84 -1.856 11.896 -5.381
176 H1* G 84 H1* G 84 1.952 11.614 -5.000
177 H8 G 84 H8 G 84 0.156 9.892 -2.048
178 H1 G 84 H1 G 84 6.596 10.068 -1.708
179 1H2 G 84 1H2 G 84 6.111 11.655 -4.841
180 2H2 G 84 2H2 G 84 7.333 10.961 -3.738
181 1H2* G 84 1H2* G 84 -0.490 10.075 -4.113
182 2H2* G 84 2H2* G 84 0.332 10.019 -5.594
183 1H5* G 85 1H5* G 85 2.182 11.517 -7.528
184 2H5* G 85 2H5* G 85 2.020 11.305 -9.282
185 H4* G 85 H4* G 85 3.627 9.852 -8.704
186 H3* G 85 H3* G 85 1.182 8.326 -9.216
187 H1* G 85 H1* G 85 4.055 7.748 -7.077
188 H8 G 85 H8 G 85 1.113 7.728 -4.470
189 H1 G 85 H1 G 85 6.959 6.343 -2.122
190 1H2 G 85 1H2 G 85 7.995 8.033 -4.977
191 2H2 G 85 2H2 G 85 8.422 6.943 -3.684
192 1H2* G 85 1H2* G 85 1.014 7.886 -6.883
193 2H2* G 85 2H2* G 85 1.885 6.448 -7.429
194 1H5* G 86 1H5* G 86 5.503 8.847 -9.941
195 2H5* G 86 2H5* G 86 6.251 8.656 -11.471
196 H4* G 86 H4* G 86 7.873 8.090 -10.251
197 H3* G 86 H3* G 86 6.974 6.214 -11.852
198 H1* G 86 H1* G 86 7.874 5.320 -8.451
199 H8 G 86 H8 G 86 4.105 5.594 -8.333
200 H1 G 86 H1 G 86 6.402 2.780 -3.053
201 1H2 G 86 1H2 G 86 9.340 2.930 -4.453
202 2H2 G 86 2H2 G 86 8.299 2.537 -3.183
203 1H2* G 86 1H2* G 86 5.543 5.008 -10.195
204 2H2* G 86 2H2* G 86 7.035 4.135 -10.074
205 1H5* A 87 1H5* A 87 11.155 4.742 -9.419
206 2H5* A 87 2H5* A 87 12.135 4.132 -10.670
207 H4* A 87 H4* A 87 12.350 2.814 -8.656
208 H3* A 87 H3* A 87 11.649 1.551 -11.066
209 H1* A 87 H1* A 87 10.151 0.561 -7.532
210 H8 A 87 H8 A 87 7.622 1.874 -10.000
211 1H6 A 87 1H6 A 87 3.447 1.053 -5.240
212 2H6 A 87 2H6 A 87 3.614 1.529 -6.872
213 H2 A 87 H2 A 87 7.595 -0.212 -4.050
214 1H2* A 87 1H2* A 87 9.540 1.271 -10.478
215 2H2* A 87 2H2* A 87 9.994 -0.365 -9.784
216 1H5* T 88 1H5* T 88 12.630 -0.134 -7.137
217 2H5* T 88 2H5* T 88 13.929 -1.400 -7.183
218 H4* T 88 H4* T 88 12.841 -1.625 -5.067
219 H3* T 88 H3* T 88 13.440 -3.723 -6.821
220 1H2* T 88 1H2* T 88 11.292 -3.922 -7.614
221 2H2* T 88 2H2* T 88 11.121 -5.075 -6.288
222 H1* T 88 H1* T 88 10.395 -3.364 -4.641
223 H3 T 88 H3 T 88 5.744 -3.239 -5.269
224 1H5M T 88 1H5M T 88 6.241 -2.749 -10.041
225 2H5M T 88 2H5M T 88 7.255 -1.319 -9.785
226 3H5M T 88 3H5M T 88 7.972 -2.919 -10.081
227 H6 T 88 H6 T 88 9.447 -2.703 -8.323
228 1H5* T 89 1H5* T 89 11.426 -4.325 -3.036
229 2H5* T 89 2H5* T 89 12.345 -5.599 -2.241
230 H4* T 89 H4* T 89 10.139 -5.221 -1.243
231 H3* T 89 H3* T 89 11.065 -7.652 -1.778
232 1H2* T 89 1H2* T 89 10.002 -8.095 -4.008
233 2H2* T 89 2H2* T 89 8.760 -8.647 -2.992
234 H1* T 89 H1* T 89 7.651 -6.808 -2.610
235 H3 T 89 H3 T 89 4.856 -6.266 -6.401
236 1H5M T 89 1H5M T 89 9.154 -5.261 -8.615
237 2H5M T 89 2H5M T 89 10.049 -6.515 -7.688
238 3H5M T 89 3H5M T 89 8.905 -7.055 -8.923
239 H6 T 89 H6 T 89 9.612 -6.480 -5.633
240 1H5* A 90 1H5* A 90 6.462 -7.523 -0.117
241 2H5* A 90 2H5* A 90 6.609 -8.657 1.304
242 H4* A 90 H4* A 90 4.475 -8.786 0.494
243 H3* A 90 H3* A 90 5.963 -10.989 0.911
244 H1* A 90 H1* A 90 3.816 -10.759 -2.168
245 H8 A 90 H8 A 90 7.441 -10.591 -3.538
246 1H6 A 90 1H6 A 90 4.339 -9.485 -8.850
247 2H6 A 90 2H6 A 90 5.982 -9.761 -8.282
248 H2 A 90 H2 A 90 1.476 -9.476 -5.615
249 1H2* A 90 1H2* A 90 6.751 -11.105 -1.292
250 2H2* A 90 2H2* A 90 5.553 -12.328 -1.362
251 1H5* G 91 1H5* G 91 1.310 -11.103 -0.051
252 2H5* G 91 2H5* G 91 0.788 -12.063 1.339
253 H4* G 91 H4* G 91 -0.913 -11.947 -0.486
254 H3* G 91 H3* G 91 -0.168 -14.608 0.192
255 H1* G 91 H1* G 91 -0.720 -13.324 -3.354
256 H8 G 91 H8 G 91 2.974 -14.043 -2.552
257 H1 G 91 H1 G 91 1.379 -11.896 -8.417
258 1H2 G 91 1H2 G 91 -1.663 -11.888 -7.181
259 2H2 G 91 2H2 G 91 -0.585 -11.560 -8.519
260 1H2* G 91 1H2* G 91 1.115 -14.987 -1.683
261 2H2* G 91 2H2* G 91 -0.496 -15.423 -2.377
262 1H5* A 92 1H5* A 92 -3.491 -13.020 -2.705
263 2H5* A 92 2H5* A 92 -4.931 -13.444 -1.732
264 H4* A 92 H4* A 92 -5.846 -13.087 -3.687
265 H3* A 92 H3* A 92 -6.055 -15.581 -2.717
266 H1* A 92 H1* A 92 -4.420 -15.442 -6.469
267 H8 A 92 H8 A 92 -2.434 -16.439 -3.599
268 1H6 A 92 1H6 A 92 2.236 -15.639 -7.771
269 2H6 A 92 2H6 A 92 1.949 -16.463 -6.220
270 H2 A 92 H2 A 92 -1.252 -14.430 -9.668
271 1H2* A 92 1H2* A 92 -4.444 -16.668 -3.833
272 2H2* A 92 2H2* A 92 -5.623 -16.981 -5.028
273 1H5* G 93 1H5* G 93 -7.152 -14.691 -6.952
274 2H5* G 93 2H5* G 93 -8.857 -15.086 -7.247
275 H4* G 93 H4* G 93 -7.488 -15.480 -9.413
276 H3* G 93 H3* G 93 -8.837 -17.585 -8.073
277 H1* G 93 H1* G 93 -5.583 -17.774 -10.103
278 H8 G 93 H8 G 93 -4.987 -18.793 -6.482
279 H1 G 93 H1 G 93 0.343 -18.548 -9.962
280 1H2 G 93 1H2 G 93 -1.809 -17.154 -12.347
281 2H2 G 93 2H2 G 93 -0.186 -17.717 -11.974
282 1H2* G 93 1H2* G 93 -6.794 -18.572 -7.433
283 2H2* G 93 2H2* G 93 -6.995 -19.441 -8.955
284 1H5* C 94 1H5* C 94 -6.957 -17.715 -12.175
285 2H5* C 94 2H5* C 94 -7.802 -18.561 -13.480
286 H4* C 94 H4* C 94 -5.392 -18.827 -13.617
287 H3* C 94 H3* C 94 -7.196 -21.124 -13.595
288 H1* C 94 H1* C 94 -3.634 -20.466 -12.769
289 1H4 C 94 1H4 C 94 -1.968 -21.648 -6.562
290 2H4 C 94 2H4 C 94 -0.669 -21.986 -7.553
291 H5 C 94 H5 C 94 -4.305 -21.711 -7.521
292 H6 C 94 H6 C 94 -5.494 -21.088 -9.692
293 H3T C 94 H3T C 94 -6.211 -20.529 -15.432
294 1H2* C 94 1H2* C 94 -5.956 -22.161 -11.851
295 2H2* C 94 2H2* C 94 -4.849 -22.559 -13.108
296 1H GLY 1 1H GLY 1 3.057 -7.603 -2.622
297 2H GLY 1 2H GLY 1 2.329 -7.075 -1.272
298 3H GLY 1 3H GLY 1 1.620 -6.912 -2.737
299 1HA GLY 1 1HA GLY 1 1.442 -9.123 -3.111
300 2HA GLY 1 2HA GLY 1 2.152 -9.631 -1.554
301 HA PRO 2 HA PRO 2 -2.539 -7.673 -1.948
302 1HB PRO 2 1HB PRO 2 -3.576 -10.448 -2.277
303 2HB PRO 2 2HB PRO 2 -4.240 -8.929 -2.701
304 1HG PRO 2 1HG PRO 2 -2.577 -10.563 -4.339
305 2HG PRO 2 2HG PRO 2 -2.718 -8.867 -4.695
306 1HD PRO 2 1HD PRO 2 -0.405 -10.392 -3.593
307 2HD PRO 2 2HD PRO 2 -0.419 -8.696 -4.135
308 H ARG 3 H ARG 3 -2.499 -10.807 -0.249
309 HA ARG 3 HA ARG 3 -4.199 -10.106 1.841
310 1HB ARG 3 1HB ARG 3 -3.459 -12.327 1.008
311 2HB ARG 3 2HB ARG 3 -1.886 -12.150 1.836
312 1HG ARG 3 1HG ARG 3 -3.509 -13.476 3.133
313 2HG ARG 3 2HG ARG 3 -2.979 -12.050 3.987
314 1HD ARG 3 1HD ARG 3 -5.336 -12.422 4.312
315 2HD ARG 3 2HD ARG 3 -5.187 -10.970 3.262
316 HE ARG 3 HE ARG 3 -6.111 -13.735 2.508
317 1HH1 ARG 3 2HH1 ARG 3 -6.404 -10.300 1.479
318 2HH1 ARG 3 1HH1 ARG 3 -6.747 -10.960 -0.099
319 1HH2 ARG 3 2HH2 ARG 3 -7.349 -14.014 0.688
320 2HH2 ARG 3 1HH2 ARG 3 -7.752 -12.544 -0.204
321 H ARG 4 H ARG 4 -0.906 -9.050 1.394
322 HA ARG 4 HA ARG 4 0.202 -9.402 3.957
323 1HB ARG 4 1HB ARG 4 0.725 -7.271 1.724
324 2HB ARG 4 2HB ARG 4 1.466 -6.997 3.248
325 1HG ARG 4 1HG ARG 4 1.791 -9.462 1.624
326 2HG ARG 4 2HG ARG 4 2.735 -8.047 1.745
327 1HD ARG 4 1HD ARG 4 2.490 -10.147 4.001
328 2HD ARG 4 2HD ARG 4 3.714 -10.106 2.737
329 HE ARG 4 HE ARG 4 5.017 -8.809 3.819
330 1HH1 ARG 4 2HH1 ARG 4 2.056 -7.579 5.063
331 2HH1 ARG 4 1HH1 ARG 4 3.005 -6.270 5.849
332 1HH2 ARG 4 2HH2 ARG 4 5.949 -7.133 4.795
333 2HH2 ARG 4 1HH2 ARG 4 4.936 -5.934 5.494
334 H THR 5 H THR 5 -1.863 -6.860 3.157
335 HA THR 5 HA THR 5 -1.320 -4.935 5.102
336 HB THR 5 HB THR 5 -2.767 -4.556 3.313
337 HG1 THR 5 HG1 THR 5 -4.569 -3.823 4.080
338 1HG2 THR 5 1HG2 THR 5 -4.577 -5.642 2.350
339 2HG2 THR 5 2HG2 THR 5 -4.728 -6.705 3.775
340 3HG2 THR 5 3HG2 THR 5 -3.342 -6.787 2.633
341 H ARG 6 H ARG 6 -2.901 -4.484 6.917
342 HA ARG 6 HA ARG 6 -3.266 -6.739 8.812
343 1HB ARG 6 1HB ARG 6 -4.235 -3.791 8.949
344 2HB ARG 6 2HB ARG 6 -4.123 -4.834 10.352
345 1HG ARG 6 1HG ARG 6 -1.782 -3.844 8.854
346 2HG ARG 6 2HG ARG 6 -2.410 -3.416 10.433
347 1HD ARG 6 1HD ARG 6 -2.057 -5.977 10.895
348 2HD ARG 6 2HD ARG 6 -0.961 -5.968 9.534
349 HE ARG 6 HE ARG 6 -0.434 -4.658 12.149
350 1HH1 ARG 6 2HH1 ARG 6 0.848 -4.472 8.671
351 2HH1 ARG 6 1HH1 ARG 6 2.156 -3.643 9.368
352 1HH2 ARG 6 2HH2 ARG 6 1.318 -3.381 12.431
353 2HH2 ARG 6 1HH2 ARG 6 2.278 -2.870 11.049
354 H THR 7 H THR 7 -5.185 -5.291 6.423
355 HA THR 7 HA THR 7 -7.259 -7.178 7.009
356 HB THR 7 HB THR 7 -7.670 -4.726 8.109
357 HG1 THR 7 HG1 THR 7 -9.435 -6.647 7.377
358 1HG2 THR 7 1HG2 THR 7 -8.178 -3.596 5.966
359 2HG2 THR 7 2HG2 THR 7 -9.630 -3.614 6.888
360 3HG2 THR 7 3HG2 THR 7 -9.496 -4.763 5.686
361 H THR 8 H THR 8 -8.496 -7.852 5.264
362 HA THR 8 HA THR 8 -7.612 -6.935 2.598
363 HB THR 8 HB THR 8 -9.205 -9.381 3.530
364 HG1 THR 8 HG1 THR 8 -6.870 -9.178 3.316
365 1HG2 THR 8 1HG2 THR 8 -8.873 -8.290 0.733
366 2HG2 THR 8 2HG2 THR 8 -10.380 -8.770 1.566
367 3HG2 THR 8 3HG2 THR 8 -9.384 -9.983 1.104
368 H PHE 9 H PHE 9 -8.948 -5.557 1.562
369 HA PHE 9 HA PHE 9 -11.462 -4.308 2.491
370 1HB PHE 9 1HB PHE 9 -10.457 -4.515 -0.324
371 2HB PHE 9 2HB PHE 9 -11.739 -3.470 0.554
372 HD1 PHE 9 HD1 PHE 9 -11.108 -1.178 1.124
373 HD2 PHE 9 HD2 PHE 9 -8.029 -4.236 0.762
374 HE1 PHE 9 HE1 PHE 9 -9.430 0.486 1.206
375 HE2 PHE 9 HE2 PHE 9 -6.365 -2.443 0.806
376 HZ PHE 9 HZ PHE 9 -6.942 -0.164 0.949
377 H THR 10 H THR 10 -13.584 -4.525 1.705
378 HA THR 10 HA THR 10 -14.402 -6.981 0.355
379 HB THR 10 HB THR 10 -16.426 -6.934 1.494
380 HG1 THR 10 HG1 THR 10 -16.717 -5.099 3.079
381 1HG2 THR 10 1HG2 THR 10 -14.292 -7.667 2.916
382 2HG2 THR 10 2HG2 THR 10 -15.780 -7.288 3.883
383 3HG2 THR 10 3HG2 THR 10 -14.451 -6.143 3.670
384 H SER 11 H SER 11 -16.729 -6.746 -0.604
385 HA SER 11 HA SER 11 -16.287 -4.676 -2.729
386 1HB SER 11 1HB SER 11 -18.509 -6.631 -2.206
387 2HB SER 11 2HB SER 11 -18.550 -5.539 -3.652
388 HG SER 11 HG SER 11 -17.364 -6.950 -4.460
389 H SER 12 H SER 12 -18.601 -5.052 0.043
390 HA SER 12 HA SER 12 -19.897 -2.547 -0.162
391 1HB SER 12 1HB SER 12 -18.962 -3.830 2.428
392 2HB SER 12 2HB SER 12 -20.403 -2.711 2.076
393 HG SER 12 HG SER 12 -20.626 -4.940 2.443
394 H GLN 13 H GLN 13 -16.570 -3.137 0.879
395 HA GLN 13 HA GLN 13 -16.146 -0.346 1.734
396 1HB GLN 13 1HB GLN 13 -14.287 -2.672 1.289
397 2HB GLN 13 2HB GLN 13 -13.748 -1.107 1.917
398 1HG GLN 13 1HG GLN 13 -15.442 -1.013 3.733
399 2HG GLN 13 2HG GLN 13 -15.978 -2.649 3.277
400 1HE2 GLN 13 1HE2 GLN 13 -14.612 -1.219 5.545
401 2HE2 GLN 13 2HE2 GLN 13 -13.098 -2.040 5.847
402 H ILE 14 H ILE 14 -15.364 -2.240 -1.244
403 HA ILE 14 HA ILE 14 -14.126 0.166 -2.307
404 HB ILE 14 HB ILE 14 -15.068 -2.485 -3.495
405 1HG1 ILE 14 1HG1 ILE 14 -12.265 -1.419 -3.337
406 2HG1 ILE 14 2HG1 ILE 14 -12.923 -2.500 -2.159
407 1HG2 ILE 14 1HG2 ILE 14 -15.383 -0.680 -5.228
408 2HG2 ILE 14 2HG2 ILE 14 -13.736 -0.047 -4.949
409 3HG2 ILE 14 3HG2 ILE 14 -13.947 -1.600 -5.719
410 1HD1 ILE 14 1HD1 ILE 14 -11.782 -3.792 -3.585
411 2HD1 ILE 14 2HD1 ILE 14 -13.578 -4.112 -3.711
412 3HD1 ILE 14 3HD1 ILE 14 -12.650 -3.248 -4.976
413 H ALA 15 H ALA 15 -17.378 -1.038 -1.967
414 HA ALA 15 HA ALA 15 -18.636 0.713 -3.873
415 1HB ALA 15 1HB ALA 15 -19.724 -1.331 -2.794
416 2HB ALA 15 2HB ALA 15 -19.720 -0.547 -1.301
417 3HB ALA 15 3HB ALA 15 -20.736 0.149 -2.593
418 H GLU 16 H GLU 16 -17.747 1.090 -0.367
419 HA GLU 16 HA GLU 16 -18.842 3.702 -0.019
420 1HB GLU 16 1HB GLU 16 -16.740 2.054 1.286
421 2HB GLU 16 2HB GLU 16 -16.884 3.695 1.689
422 1HG GLU 16 1HG GLU 16 -18.323 1.302 2.573
423 2HG GLU 16 2HG GLU 16 -17.686 2.759 3.415
424 H LEU 17 H LEU 17 -15.564 2.454 -0.586
425 HA LEU 17 HA LEU 17 -14.404 4.918 -0.638
426 1HB LEU 17 1HB LEU 17 -13.778 2.239 -1.866
427 2HB LEU 17 2HB LEU 17 -12.804 3.559 -2.373
428 HG LEU 17 HG LEU 17 -13.443 3.242 0.494
429 1HD1 LEU 17 1HD1 LEU 17 -11.394 1.699 -1.058
430 2HD1 LEU 17 2HD1 LEU 17 -12.390 1.201 0.336
431 3HD1 LEU 17 3HD1 LEU 17 -10.928 2.045 0.659
432 1HD2 LEU 17 1HD2 LEU 17 -10.741 4.354 -0.145
433 2HD2 LEU 17 2HD2 LEU 17 -11.862 4.525 1.199
434 3HD2 LEU 17 3HD2 LEU 17 -12.159 5.302 -0.418
435 H GLU 18 H GLU 18 -15.903 3.310 -3.381
436 HA GLU 18 HA GLU 18 -15.182 5.149 -5.424
437 1HB GLU 18 1HB GLU 18 -17.309 3.127 -5.089
438 2HB GLU 18 2HB GLU 18 -17.509 4.104 -6.358
439 1HG GLU 18 1HG GLU 18 -15.196 3.505 -7.272
440 2HG GLU 18 2HG GLU 18 -15.059 2.399 -5.937
441 H GLN 19 H GLN 19 -18.030 4.831 -3.222
442 HA GLN 19 HA GLN 19 -19.430 7.068 -4.545
443 1HB GLN 19 1HB GLN 19 -20.207 5.027 -3.131
444 2HB GLN 19 2HB GLN 19 -20.004 6.029 -1.686
445 1HG GLN 19 1HG GLN 19 -22.328 6.101 -2.199
446 2HG GLN 19 2HG GLN 19 -21.661 7.665 -2.543
447 1HE2 GLN 19 1HE2 GLN 19 -22.695 8.464 -4.530
448 2HE2 GLN 19 2HE2 GLN 19 -22.854 7.366 -5.889
449 H HIS 20 H HIS 20 -17.404 7.013 -1.590
450 HA HIS 20 HA HIS 20 -17.829 9.974 -1.256
451 1HB HIS 20 1HB HIS 20 -15.983 8.069 0.177
452 2HB HIS 20 2HB HIS 20 -16.525 9.838 0.527
453 HD1 HIS 20 HD1 HIS 20 -19.013 10.203 1.445
454 HD2 HIS 20 HD2 HIS 20 -17.801 6.222 1.153
455 HE1 HIS 20 HE1 HIS 20 -20.875 8.766 2.382
456 H PHE 21 H PHE 21 -15.307 7.953 -2.729
457 HA PHE 21 HA PHE 21 -13.596 9.989 -3.574
458 1HB PHE 21 1HB PHE 21 -13.023 7.750 -4.052
459 2HB PHE 21 2HB PHE 21 -14.547 7.404 -4.837
460 HD1 PHE 21 HD1 PHE 21 -15.276 7.706 -6.971
461 HD2 PHE 21 HD2 PHE 21 -11.412 9.172 -5.703
462 HE1 PHE 21 HE1 PHE 21 -14.669 8.153 -9.267
463 HE2 PHE 21 HE2 PHE 21 -10.748 9.367 -8.148
464 HZ PHE 21 HZ PHE 21 -12.398 8.720 -9.889
465 H LEU 22 H LEU 22 -16.783 9.128 -5.224
466 HA LEU 22 HA LEU 22 -16.850 11.156 -7.270
467 1HB LEU 22 1HB LEU 22 -19.183 10.661 -5.480
468 2HB LEU 22 2HB LEU 22 -19.017 11.191 -7.124
469 HG LEU 22 HG LEU 22 -18.457 8.314 -6.341
470 1HD1 LEU 22 1HD1 LEU 22 -20.753 9.177 -6.132
471 2HD1 LEU 22 2HD1 LEU 22 -20.382 7.919 -7.517
472 3HD1 LEU 22 3HD1 LEU 22 -20.820 9.588 -7.835
473 1HD2 LEU 22 1HD2 LEU 22 -18.620 8.148 -8.958
474 2HD2 LEU 22 2HD2 LEU 22 -17.199 9.091 -8.364
475 3HD2 LEU 22 3HD2 LEU 22 -18.648 9.861 -9.008
476 H GLN 23 H GLN 23 -17.145 11.718 -3.820
477 HA GLN 23 HA GLN 23 -17.840 14.478 -3.931
478 1HB GLN 23 1HB GLN 23 -16.784 13.003 -1.667
479 2HB GLN 23 2HB GLN 23 -17.861 14.421 -1.808
480 1HG GLN 23 1HG GLN 23 -18.556 11.490 -2.504
481 2HG GLN 23 2HG GLN 23 -18.839 12.231 -0.908
482 1HE2 GLN 23 1HE2 GLN 23 -20.339 11.344 -3.757
483 2HE2 GLN 23 2HE2 GLN 23 -21.507 12.677 -3.936
484 H GLY 24 H GLY 24 -14.720 12.648 -4.026
485 1HA GLY 24 1HA GLY 24 -13.133 14.940 -4.606
486 2HA GLY 24 2HA GLY 24 -12.905 14.478 -2.959
487 H ARG 25 H ARG 25 -11.786 14.340 -5.817
488 HA ARG 25 HA ARG 25 -11.524 11.467 -6.452
489 1HB ARG 25 1HB ARG 25 -10.525 13.845 -8.014
490 2HB ARG 25 2HB ARG 25 -10.395 12.184 -8.518
491 1HG ARG 25 1HG ARG 25 -12.612 11.595 -8.646
492 2HG ARG 25 2HG ARG 25 -13.146 13.247 -8.210
493 1HD ARG 25 1HD ARG 25 -12.558 14.146 -10.232
494 2HD ARG 25 2HD ARG 25 -11.339 12.855 -10.627
495 HE ARG 25 HE ARG 25 -12.771 11.863 -11.686
496 1HH1 ARG 25 2HH1 ARG 25 -14.610 14.328 -10.178
497 2HH1 ARG 25 1HH1 ARG 25 -16.182 13.739 -10.642
498 1HH2 ARG 25 2HH2 ARG 25 -14.974 10.945 -12.084
499 2HH2 ARG 25 1HH2 ARG 25 -16.393 11.748 -11.510
500 H TYR 26 H TYR 26 -9.757 13.476 -4.623
501 HA TYR 26 HA TYR 26 -7.910 11.330 -4.221
502 1HB TYR 26 1HB TYR 26 -5.842 12.487 -4.431
503 2HB TYR 26 2HB TYR 26 -6.778 12.893 -5.886
504 HD1 TYR 26 HD1 TYR 26 -8.449 15.283 -4.960
505 HD2 TYR 26 HD2 TYR 26 -4.297 14.101 -4.095
506 HE1 TYR 26 HE1 TYR 26 -7.780 17.554 -4.387
507 HE2 TYR 26 HE2 TYR 26 -3.684 16.402 -3.943
508 HH TYR 26 HH TYR 26 -6.214 18.963 -4.162
509 H LEU 27 H LEU 27 -6.287 11.944 -2.204
510 HA LEU 27 HA LEU 27 -8.075 12.455 0.006
511 1HB LEU 27 1HB LEU 27 -5.380 11.127 -0.031
512 2HB LEU 27 2HB LEU 27 -6.167 11.381 1.394
513 HG LEU 27 HG LEU 27 -7.119 9.670 -0.911
514 1HD1 LEU 27 1HD1 LEU 27 -5.387 8.608 0.008
515 2HD1 LEU 27 2HD1 LEU 27 -6.835 7.804 0.706
516 3HD1 LEU 27 3HD1 LEU 27 -5.721 8.816 1.646
517 1HD2 LEU 27 1HD2 LEU 27 -8.431 10.124 1.668
518 2HD2 LEU 27 2HD2 LEU 27 -8.777 8.866 0.479
519 3HD2 LEU 27 3HD2 LEU 27 -9.067 10.576 -0.005
520 H THR 28 H THR 28 -7.301 13.169 1.763
521 HA THR 28 HA THR 28 -5.093 14.958 2.228
522 HB THR 28 HB THR 28 -6.717 16.697 3.384
523 HG1 THR 28 HG1 THR 28 -8.693 16.396 1.848
524 1HG2 THR 28 1HG2 THR 28 -5.627 16.740 0.970
525 2HG2 THR 28 2HG2 THR 28 -7.006 17.882 1.342
526 3HG2 THR 28 3HG2 THR 28 -7.275 16.397 0.491
527 H ALA 29 H ALA 29 -5.462 15.241 4.945
528 HA ALA 29 HA ALA 29 -5.905 12.623 6.004
529 1HB ALA 29 1HB ALA 29 -4.397 14.177 7.070
530 2HB ALA 29 2HB ALA 29 -5.900 15.045 7.671
531 3HB ALA 29 3HB ALA 29 -5.565 13.453 8.144
532 HA PRO 30 HA PRO 30 -10.220 14.418 7.425
533 1HB PRO 30 1HB PRO 30 -11.318 16.145 5.607
534 2HB PRO 30 2HB PRO 30 -10.562 16.532 7.136
535 1HG PRO 30 1HG PRO 30 -9.423 16.847 4.422
536 2HG PRO 30 2HG PRO 30 -9.077 17.957 5.770
537 1HD PRO 30 1HD PRO 30 -7.226 16.202 5.245
538 2HD PRO 30 2HD PRO 30 -7.831 16.479 6.908
539 H ARG 31 H ARG 31 -9.716 14.270 3.881
540 HA ARG 31 HA ARG 31 -12.000 12.571 3.298
541 1HB ARG 31 1HB ARG 31 -9.295 13.172 1.971
542 2HB ARG 31 2HB ARG 31 -10.144 11.817 1.532
543 1HG ARG 31 1HG ARG 31 -10.557 13.604 0.002
544 2HG ARG 31 2HG ARG 31 -12.017 13.050 0.645
545 1HD ARG 31 1HD ARG 31 -11.957 14.845 2.430
546 2HD ARG 31 2HD ARG 31 -10.494 15.498 1.645
547 HE ARG 31 HE ARG 31 -11.635 16.457 -0.042
548 1HH1 ARG 31 2HH1 ARG 31 -13.954 14.345 1.582
549 2HH1 ARG 31 1HH1 ARG 31 -15.200 14.943 0.461
550 1HH2 ARG 31 2HH2 ARG 31 -13.233 16.916 -1.460
551 2HH2 ARG 31 1HH2 ARG 31 -14.661 15.932 -1.304
552 H LEU 32 H LEU 32 -8.396 11.622 3.892
553 HA LEU 32 HA LEU 32 -8.761 8.822 3.918
554 1HB LEU 32 1HB LEU 32 -6.797 10.019 3.512
555 2HB LEU 32 2HB LEU 32 -6.918 10.739 5.076
556 HG LEU 32 HG LEU 32 -6.698 8.070 5.656
557 1HD1 LEU 32 1HD1 LEU 32 -5.822 7.506 3.483
558 2HD1 LEU 32 2HD1 LEU 32 -4.538 7.498 4.660
559 3HD1 LEU 32 3HD1 LEU 32 -4.644 8.857 3.584
560 1HD2 LEU 32 1HD2 LEU 32 -4.312 8.939 6.377
561 2HD2 LEU 32 2HD2 LEU 32 -5.673 9.885 6.964
562 3HD2 LEU 32 3HD2 LEU 32 -4.747 10.419 5.573
563 H ALA 33 H ALA 33 -9.083 11.138 6.721
564 HA ALA 33 HA ALA 33 -9.603 9.273 8.829
565 1HB ALA 33 1HB ALA 33 -10.321 11.058 10.139
566 2HB ALA 33 2HB ALA 33 -8.788 11.399 9.396
567 3HB ALA 33 3HB ALA 33 -10.200 12.164 8.684
568 H ASP 34 H ASP 34 -11.880 11.297 6.792
569 HA ASP 34 HA ASP 34 -14.327 10.434 7.873
570 1HB ASP 34 1HB ASP 34 -13.852 12.399 6.418
571 2HB ASP 34 2HB ASP 34 -13.491 11.212 5.237
572 H LEU 35 H LEU 35 -12.884 9.243 4.848
573 HA LEU 35 HA LEU 35 -14.836 7.329 4.669
574 1HB LEU 35 1HB LEU 35 -12.964 8.468 2.903
575 2HB LEU 35 2HB LEU 35 -12.242 7.043 3.233
576 HG LEU 35 HG LEU 35 -13.306 5.909 1.918
577 1HD1 LEU 35 1HD1 LEU 35 -15.477 5.660 2.908
578 2HD1 LEU 35 2HD1 LEU 35 -15.701 6.179 1.225
579 3HD1 LEU 35 3HD1 LEU 35 -15.967 7.351 2.527
580 1HD2 LEU 35 1HD2 LEU 35 -13.627 6.978 0.006
581 2HD2 LEU 35 2HD2 LEU 35 -12.392 7.857 0.834
582 3HD2 LEU 35 3HD2 LEU 35 -14.054 8.581 0.745
583 H SER 36 H SER 36 -11.631 7.087 6.098
584 HA SER 36 HA SER 36 -11.757 4.042 6.282
585 1HB SER 36 1HB SER 36 -10.312 4.415 8.260
586 2HB SER 36 2HB SER 36 -9.637 5.044 6.753
587 HG SER 36 HG SER 36 -9.709 6.975 7.516
588 H ALA 37 H ALA 37 -12.703 6.829 8.354
589 HA ALA 37 HA ALA 37 -13.794 5.358 10.364
590 1HB ALA 37 1HB ALA 37 -15.267 7.380 11.056
591 2HB ALA 37 2HB ALA 37 -13.575 7.564 10.794
592 3HB ALA 37 3HB ALA 37 -14.828 8.110 9.550
593 H LYS 38 H LYS 38 -15.496 6.358 7.291
594 HA LYS 38 HA LYS 38 -18.134 5.240 7.823
595 1HB LYS 38 1HB LYS 38 -16.815 6.808 5.569
596 2HB LYS 38 2HB LYS 38 -18.338 5.936 5.337
597 1HG LYS 38 1HG LYS 38 -19.453 7.022 7.110
598 2HG LYS 38 2HG LYS 38 -18.034 7.990 7.537
599 1HD LYS 38 1HD LYS 38 -19.850 8.134 5.214
600 2HD LYS 38 2HD LYS 38 -19.511 9.353 6.546
601 1HE LYS 38 1HE LYS 38 -17.153 9.416 5.579
602 2HE LYS 38 2HE LYS 38 -17.931 8.766 4.113
603 1HZ LYS 38 1HZ LYS 38 -18.175 11.382 5.341
604 2HZ LYS 38 2HZ LYS 38 -19.552 10.745 4.969
605 3HZ LYS 38 3HZ LYS 38 -18.362 11.045 3.767
606 H LEU 39 H LEU 39 -15.347 4.314 5.704
607 HA LEU 39 HA LEU 39 -16.421 1.841 4.760
608 1HB LEU 39 1HB LEU 39 -13.669 2.960 5.524
609 2HB LEU 39 2HB LEU 39 -13.898 1.361 4.930
610 HG LEU 39 HG LEU 39 -14.867 3.493 3.093
611 1HD1 LEU 39 1HD1 LEU 39 -12.685 4.269 3.019
612 2HD1 LEU 39 2HD1 LEU 39 -12.091 2.663 2.560
613 3HD1 LEU 39 3HD1 LEU 39 -12.184 3.179 4.253
614 1HD2 LEU 39 1HD2 LEU 39 -15.416 1.141 3.009
615 2HD2 LEU 39 2HD2 LEU 39 -13.684 0.669 2.977
616 3HD2 LEU 39 3HD2 LEU 39 -14.347 1.608 1.567
617 H ALA 40 H ALA 40 -14.885 2.631 7.686
618 HA ALA 40 HA ALA 40 -14.288 1.603 9.642
619 1HB ALA 40 1HB ALA 40 -15.195 -0.592 10.374
620 2HB ALA 40 2HB ALA 40 -16.460 0.386 9.818
621 3HB ALA 40 3HB ALA 40 -15.923 -0.883 8.751
622 H LEU 41 H LEU 41 -12.345 2.003 8.308
623 HA LEU 41 HA LEU 41 -10.613 -0.426 8.273
624 1HB LEU 41 1HB LEU 41 -10.756 1.725 6.186
625 2HB LEU 41 2HB LEU 41 -9.418 0.622 6.289
626 HG LEU 41 HG LEU 41 -12.303 -0.080 5.656
627 1HD1 LEU 41 1HD1 LEU 41 -11.275 1.035 3.893
628 2HD1 LEU 41 2HD1 LEU 41 -11.738 -0.516 3.435
629 3HD1 LEU 41 3HD1 LEU 41 -9.962 -0.196 3.836
630 1HD2 LEU 41 1HD2 LEU 41 -11.019 -2.404 5.028
631 2HD2 LEU 41 2HD2 LEU 41 -11.441 -2.069 6.704
632 3HD2 LEU 41 3HD2 LEU 41 -9.814 -1.715 6.291
633 H GLY 42 H GLY 42 -8.160 0.323 8.254
634 1HA GLY 42 1HA GLY 42 -7.456 2.296 10.183
635 2HA GLY 42 2HA GLY 42 -6.406 1.413 9.050
636 H THR 43 H THR 43 -6.458 4.539 9.493
637 HA THR 43 HA THR 43 -7.593 5.618 7.086
638 HB THR 43 HB THR 43 -5.842 7.498 7.528
639 HG1 THR 43 HG1 THR 43 -4.343 6.252 8.739
640 1HG2 THR 43 1HG2 THR 43 -6.749 8.171 9.650
641 2HG2 THR 43 2HG2 THR 43 -7.577 6.544 9.680
642 3HG2 THR 43 3HG2 THR 43 -8.010 7.608 8.396
643 H ALA 44 H ALA 44 -4.417 3.931 7.598
644 HA ALA 44 HA ALA 44 -3.395 5.010 5.144
645 1HB ALA 44 1HB ALA 44 -2.711 2.345 6.638
646 2HB ALA 44 2HB ALA 44 -1.767 3.022 5.344
647 3HB ALA 44 3HB ALA 44 -1.849 3.861 6.864
648 H GLN 45 H GLN 45 -5.802 2.515 5.642
649 HA GLN 45 HA GLN 45 -5.336 1.011 3.194
650 1HB GLN 45 1HB GLN 45 -7.368 1.054 5.344
651 2HB GLN 45 2HB GLN 45 -7.911 0.507 3.765
652 1HG GLN 45 1HG GLN 45 -7.234 -1.386 5.068
653 2HG GLN 45 2HG GLN 45 -6.213 -1.334 3.699
654 1HE2 GLN 45 1HE2 GLN 45 -6.328 -0.382 7.058
655 2HE2 GLN 45 2HE2 GLN 45 -4.657 -0.150 7.384
656 H VAL 46 H VAL 46 -7.214 3.982 4.002
657 HA VAL 46 HA VAL 46 -8.441 4.235 1.332
658 HB VAL 46 HB VAL 46 -7.827 6.559 3.064
659 1HG1 VAL 46 1HG1 VAL 46 -10.445 5.945 1.907
660 2HG1 VAL 46 2HG1 VAL 46 -9.784 7.539 2.429
661 3HG1 VAL 46 3HG1 VAL 46 -9.067 6.848 1.034
662 1HG2 VAL 46 1HG2 VAL 46 -8.673 4.841 4.788
663 2HG2 VAL 46 2HG2 VAL 46 -9.721 6.197 4.611
664 3HG2 VAL 46 3HG2 VAL 46 -10.174 4.755 3.721
665 H LYS 47 H LYS 47 -5.552 5.866 2.700
666 HA LYS 47 HA LYS 47 -4.529 6.783 0.372
667 1HB LYS 47 1HB LYS 47 -3.872 6.346 3.157
668 2HB LYS 47 2HB LYS 47 -2.578 5.566 2.176
669 1HG LYS 47 1HG LYS 47 -1.934 7.582 1.139
670 2HG LYS 47 2HG LYS 47 -3.458 8.390 1.581
671 1HD LYS 47 1HD LYS 47 -1.116 8.887 2.878
672 2HD LYS 47 2HD LYS 47 -2.715 9.077 3.643
673 1HE LYS 47 1HE LYS 47 -2.616 7.264 4.744
674 2HE LYS 47 2HE LYS 47 -1.554 6.308 3.789
675 1HZ LYS 47 1HZ LYS 47 0.187 7.962 4.629
676 2HZ LYS 47 2HZ LYS 47 -0.388 7.074 5.841
677 3HZ LYS 47 3HZ LYS 47 -0.875 8.650 5.619
678 H ILE 48 H ILE 48 -3.788 3.466 1.275
679 HA ILE 48 HA ILE 48 -2.541 2.849 -1.120
680 HB ILE 48 HB ILE 48 -3.920 1.053 0.903
681 1HG1 ILE 48 1HG1 ILE 48 -1.156 2.091 0.443
682 2HG1 ILE 48 2HG1 ILE 48 -2.011 2.192 1.877
683 1HG2 ILE 48 1HG2 ILE 48 -3.736 -0.154 -1.357
684 2HG2 ILE 48 2HG2 ILE 48 -2.026 0.248 -1.365
685 3HG2 ILE 48 3HG2 ILE 48 -2.714 -0.841 -0.097
686 1HD1 ILE 48 1HD1 ILE 48 -0.699 -0.439 0.939
687 2HD1 ILE 48 2HD1 ILE 48 -0.157 0.587 2.223
688 3HD1 ILE 48 3HD1 ILE 48 -1.753 -0.022 2.469
689 H TRP 49 H TRP 49 -6.180 2.173 -0.289
690 HA TRP 49 HA TRP 49 -6.843 1.464 -2.848
691 1HB TRP 49 1HB TRP 49 -8.565 1.468 -1.132
692 2HB TRP 49 2HB TRP 49 -8.551 3.217 -1.076
693 HD1 TRP 49 HD1 TRP 49 -8.882 0.338 -3.712
694 HE1 TRP 49 HE1 TRP 49 -10.788 0.621 -5.270
695 HE3 TRP 49 HE3 TRP 49 -10.022 4.933 -2.282
696 HZ2 TRP 49 HZ2 TRP 49 -12.536 2.984 -6.132
697 HZ3 TRP 49 HZ3 TRP 49 -11.426 6.485 -3.603
698 HH2 TRP 49 HH2 TRP 49 -12.823 5.538 -5.467
699 H PHE 50 H PHE 50 -6.722 4.801 -1.871
700 HA PHE 50 HA PHE 50 -7.616 5.599 -4.450
701 1HB PHE 50 1HB PHE 50 -6.187 7.143 -2.228
702 2HB PHE 50 2HB PHE 50 -6.476 7.826 -3.883
703 HD1 PHE 50 HD1 PHE 50 -8.190 9.193 -4.278
704 HD2 PHE 50 HD2 PHE 50 -8.667 6.302 -1.234
705 HE1 PHE 50 HE1 PHE 50 -10.449 10.127 -3.733
706 HE2 PHE 50 HE2 PHE 50 -10.869 7.159 -0.611
707 HZ PHE 50 HZ PHE 50 -11.771 9.129 -1.797
708 H LYS 51 H LYS 51 -4.205 5.609 -2.937
709 HA LYS 51 HA LYS 51 -2.770 6.626 -5.107
710 1HB LYS 51 1HB LYS 51 -2.039 6.324 -2.822
711 2HB LYS 51 2HB LYS 51 -2.004 4.518 -2.999
712 1HG LYS 51 1HG LYS 51 -0.484 6.235 -5.018
713 2HG LYS 51 2HG LYS 51 -0.086 6.124 -3.317
714 1HD LYS 51 1HD LYS 51 -0.153 3.527 -4.862
715 2HD LYS 51 2HD LYS 51 1.120 4.789 -4.926
716 1HE LYS 51 1HE LYS 51 -0.100 3.597 -2.304
717 2HE LYS 51 2HE LYS 51 1.206 2.783 -3.171
718 1HZ LYS 51 1HZ LYS 51 2.642 4.403 -2.893
719 2HZ LYS 51 2HZ LYS 51 2.204 4.296 -1.364
720 3HZ LYS 51 3HZ LYS 51 1.591 5.494 -2.203
721 H ASN 52 H ASN 52 -3.557 3.229 -4.471
722 HA ASN 52 HA ASN 52 -2.419 2.022 -6.724
723 1HB ASN 52 1HB ASN 52 -3.017 1.135 -4.401
724 2HB ASN 52 2HB ASN 52 -4.730 1.261 -4.889
725 1HD2 ASN 52 1HD2 ASN 52 -4.819 -0.980 -4.293
726 2HD2 ASN 52 2HD2 ASN 52 -3.990 -2.262 -5.148
727 H ARG 53 H ARG 53 -5.877 3.040 -6.184
728 HA ARG 53 HA ARG 53 -6.828 1.873 -8.706
729 1HB ARG 53 1HB ARG 53 -8.209 2.175 -6.696
730 2HB ARG 53 2HB ARG 53 -7.882 3.842 -6.624
731 1HG ARG 53 1HG ARG 53 -9.607 2.489 -8.806
732 2HG ARG 53 2HG ARG 53 -10.199 2.989 -7.300
733 1HD ARG 53 1HD ARG 53 -9.801 5.263 -7.582
734 2HD ARG 53 2HD ARG 53 -8.860 5.033 -9.051
735 HE ARG 53 HE ARG 53 -11.595 5.271 -8.885
736 1HH1 ARG 53 2HH2 ARG 53 -9.165 3.801 -10.798
737 2HH1 ARG 53 1HH2 ARG 53 -10.149 3.794 -12.222
738 1HH2 ARG 53 2HH1 ARG 53 -12.924 4.905 -10.721
739 2HH2 ARG 53 1HH1 ARG 53 -12.087 4.790 -12.250
740 H ARG 54 H ARG 54 -5.986 5.353 -7.828
741 HA ARG 54 HA ARG 54 -6.714 6.459 -10.441
742 1HB ARG 54 1HB ARG 54 -4.998 7.267 -8.076
743 2HB ARG 54 2HB ARG 54 -5.281 8.383 -9.477
744 1HG ARG 54 1HG ARG 54 -7.389 8.747 -9.065
745 2HG ARG 54 2HG ARG 54 -7.719 7.225 -8.161
746 1HD ARG 54 1HD ARG 54 -7.895 8.616 -6.560
747 2HD ARG 54 2HD ARG 54 -6.207 8.049 -6.253
748 HE ARG 54 HE ARG 54 -7.045 10.726 -7.203
749 1HH1 ARG 54 2HH1 ARG 54 -4.279 8.544 -6.612
750 2HH1 ARG 54 1HH1 ARG 54 -3.138 9.803 -7.115
751 1HH2 ARG 54 2HH2 ARG 54 -5.311 12.158 -7.837
752 2HH2 ARG 54 1HH2 ARG 54 -3.652 11.723 -7.697
753 H ARG 55 H ARG 55 -3.529 5.271 -9.060
754 HA ARG 55 HA ARG 55 -2.041 5.623 -11.369
755 1HB ARG 55 1HB ARG 55 -1.999 3.691 -8.955
756 2HB ARG 55 2HB ARG 55 -1.136 3.148 -10.303
757 1HG ARG 55 1HG ARG 55 -0.540 5.949 -9.544
758 2HG ARG 55 2HG ARG 55 0.138 4.567 -8.548
759 1HD ARG 55 1HD ARG 55 0.397 4.920 -11.596
760 2HD ARG 55 2HD ARG 55 1.453 5.574 -10.264
761 HE ARG 55 HE ARG 55 1.025 2.747 -10.194
762 1HH1 ARG 55 2HH1 ARG 55 2.884 5.278 -11.476
763 2HH1 ARG 55 1HH1 ARG 55 4.350 4.332 -11.768
764 1HH2 ARG 55 1HH2 ARG 55 3.201 1.453 -10.196
765 2HH2 ARG 55 2HH2 ARG 55 4.457 2.211 -11.103
766 H ARG 56 H ARG 56 -3.904 2.721 -10.574
767 HA ARG 56 HA ARG 56 -3.490 1.311 -13.036
768 1HB ARG 56 1HB ARG 56 -4.458 0.469 -10.826
769 2HB ARG 56 2HB ARG 56 -6.028 1.146 -11.376
770 1HG ARG 56 1HG ARG 56 -5.649 -0.346 -13.494
771 2HG ARG 56 2HG ARG 56 -4.339 -0.989 -12.585
772 1HD ARG 56 1HD ARG 56 -7.200 -1.029 -11.710
773 2HD ARG 56 2HD ARG 56 -6.290 -2.400 -12.448
774 HE ARG 56 HE ARG 56 -5.313 -3.009 -10.629
775 1HH1 ARG 56 2HH1 ARG 56 -6.961 0.036 -9.732
776 2HH1 ARG 56 1HH1 ARG 56 -6.535 -0.095 -8.094
777 1HH2 ARG 56 2HH2 ARG 56 -4.643 -2.906 -8.516
778 2HH2 ARG 56 1HH2 ARG 56 -5.400 -1.782 -7.449
779 H HIS 57 H HIS 57 -6.004 3.802 -12.350
780 HA HIS 57 HA HIS 57 -7.227 3.300 -14.869
781 1HB HIS 57 1HB HIS 57 -8.231 4.523 -12.996
782 2HB HIS 57 2HB HIS 57 -7.220 6.030 -13.471
783 HD1 HIS 57 HD1 HIS 57 -7.779 5.739 -16.656
784 HD2 HIS 57 HD2 HIS 57 -10.464 5.951 -13.394
785 HE1 HIS 57 HE1 HIS 57 -9.883 6.750 -17.474
786 H LYS 58 H LYS 58 -5.097 6.057 -13.939
787 HA LYS 58 HA LYS 58 -4.896 7.129 -16.483
788 1HB LYS 58 1HB LYS 58 -2.912 8.414 -15.710
789 2HB LYS 58 2HB LYS 58 -4.117 8.388 -14.493
790 1HG LYS 58 1HG LYS 58 -2.637 6.547 -13.339
791 2HG LYS 58 2HG LYS 58 -1.582 6.562 -14.682
792 1HD LYS 58 1HD LYS 58 -1.121 8.907 -14.412
793 2HD LYS 58 2HD LYS 58 -2.134 8.928 -12.921
794 1HE LYS 58 1HE LYS 58 -1.105 7.667 -11.612
795 2HE LYS 58 2HE LYS 58 0.068 6.951 -12.824
796 1HZ LYS 58 1HZ LYS 58 0.652 9.432 -13.102
797 2HZ LYS 58 2HZ LYS 58 1.330 8.609 -11.870
798 3HZ LYS 58 3HZ LYS 58 0.064 9.623 -11.603
799 H ILE 59 H ILE 59 -3.001 4.379 -15.198
800 HA ILE 59 HA ILE 59 -1.191 4.125 -17.563
801 HB ILE 59 HB ILE 59 -2.075 2.234 -15.303
802 1HG1 ILE 59 1HG1 ILE 59 0.649 3.465 -15.739
803 2HG1 ILE 59 2HG1 ILE 59 -0.617 4.155 -14.795
804 1HG2 ILE 59 1HG2 ILE 59 -1.602 0.974 -17.471
805 2HG2 ILE 59 2HG2 ILE 59 -0.035 1.735 -17.597
806 3HG2 ILE 59 3HG2 ILE 59 -0.593 0.579 -16.213
807 1HD1 ILE 59 1HD1 ILE 59 -0.882 2.062 -13.532
808 2HD1 ILE 59 2HD1 ILE 59 0.716 1.588 -13.982
809 3HD1 ILE 59 3HD1 ILE 59 0.499 3.192 -13.136
810 H GLN 60 H GLN 60 -4.354 2.564 -16.763
811 HA GLN 60 HA GLN 60 -4.466 1.099 -19.190
812 1HB GLN 60 1HB GLN 60 -6.643 1.925 -17.208
813 2HB GLN 60 2HB GLN 60 -6.938 0.857 -18.576
814 1HG GLN 60 1HG GLN 60 -5.238 -0.623 -17.905
815 2HG GLN 60 2HG GLN 60 -4.827 0.310 -16.472
816 1HE2 GLN 60 1HE2 GLN 60 -5.379 -2.060 -15.697
817 2HE2 GLN 60 2HE2 GLN 60 -7.027 -2.047 -14.929
818 H SER 61 H SER 61 -5.704 4.358 -18.469
819 HA SER 61 HA SER 61 -6.732 5.144 -21.079
820 1HB SER 61 1HB SER 61 -5.477 6.954 -19.082
821 2HB SER 61 2HB SER 61 -6.762 7.250 -20.170
822 HG SER 61 HG SER 61 -7.831 5.608 -18.746
823 H ASP 62 H ASP 62 -3.432 4.929 -19.900
824 HA ASP 62 HA ASP 62 -2.272 6.392 -22.219
825 1HB ASP 62 1HB ASP 62 -1.041 6.334 -19.923
826 2HB ASP 62 2HB ASP 62 -0.605 4.697 -20.197
827 H GLN 63 H GLN 63 -2.181 2.876 -21.169
828 HA GLN 63 HA GLN 63 -1.457 2.114 -23.671
829 1HB GLN 63 1HB GLN 63 -3.112 0.393 -21.865
830 2HB GLN 63 2HB GLN 63 -2.286 -0.217 -23.185
831 1HG GLN 63 1HG GLN 63 -0.181 0.925 -22.051
832 2HG GLN 63 2HG GLN 63 -1.232 1.182 -20.654
833 1HE2 GLN 63 2HE2 GLN 63 0.532 0.122 -19.620
834 2HE2 GLN 63 1HE2 GLN 63 0.632 -1.626 -19.481
835 H HIS 64 H HIS 64 -4.032 3.760 -23.264
836 HA HIS 64 HA HIS 64 -6.092 4.203 -24.227
837 1HB HIS 64 1HB HIS 64 -4.462 3.282 -26.548
838 2HB HIS 64 2HB HIS 64 -6.055 4.032 -26.746
839 HD1 HIS 64 HD1 HIS 64 -4.478 5.991 -24.000
840 HD2 HIS 64 HD2 HIS 64 -4.142 5.679 -28.176
841 HE1 HIS 64 HE1 HIS 64 -3.014 7.978 -24.647
842 H LYS 65 H LYS 65 -6.281 2.284 -22.740
843 HA LYS 65 HA LYS 65 -8.558 0.664 -23.814
844 1HB LYS 65 1HB LYS 65 -6.845 0.171 -21.316
845 2HB LYS 65 2HB LYS 65 -8.197 -0.882 -21.733
846 1HG LYS 65 1HG LYS 65 -5.646 -0.523 -23.264
847 2HG LYS 65 2HG LYS 65 -6.044 -1.903 -22.286
848 1HD LYS 65 1HD LYS 65 -8.201 -2.087 -23.917
849 2HD LYS 65 2HD LYS 65 -7.196 -1.142 -24.967
850 1HE LYS 65 1HE LYS 65 -7.108 -3.372 -25.501
851 2HE LYS 65 2HE LYS 65 -5.479 -3.164 -24.793
852 1HZ LYS 65 1HZ LYS 65 -6.570 -4.103 -22.779
853 2HZ LYS 65 2HZ LYS 65 -6.178 -5.134 -23.927
854 3HZ LYS 65 3HZ LYS 65 -7.796 -4.595 -23.714
855 H ASP 66 H ASP 66 -10.478 0.501 -22.379
856 HA ASP 66 HA ASP 66 -10.711 2.683 -20.341
857 1HB ASP 66 1HB ASP 66 -11.997 2.825 -22.331
858 2HB ASP 66 2HB ASP 66 -12.749 1.333 -22.046
859 H GLN 67 H GLN 67 -12.352 2.267 -18.626
860 HA GLN 67 HA GLN 67 -12.255 -0.488 -17.438
861 1HB GLN 67 1HB GLN 67 -11.739 0.361 -15.272
862 2HB GLN 67 2HB GLN 67 -10.461 0.727 -16.301
863 1HG GLN 67 1HG GLN 67 -10.622 2.985 -16.465
864 2HG GLN 67 2HG GLN 67 -12.336 3.032 -16.162
865 1HE2 GLN 67 2HE2 GLN 67 -13.123 2.329 -13.973
866 2HE2 GLN 67 1HE2 GLN 67 -11.936 2.097 -12.746
867 H SER 68 H SER 68 -14.439 2.299 -18.313
868 HA SER 68 HA SER 68 -16.388 1.234 -16.436
869 1HB SER 68 1HB SER 68 -15.940 4.146 -16.384
870 2HB SER 68 2HB SER 68 -17.082 3.160 -15.465
871 HG SER 68 HG SER 68 -14.686 2.022 -15.329
Start of MODEL 17
1 1H5* G 69 1H5* G 69 8.534 -24.583 -11.021
2 2H5* G 69 2H5* G 69 9.951 -23.636 -11.530
3 H4* G 69 H4* G 69 7.939 -23.167 -12.756
4 H3* G 69 H3* G 69 9.452 -21.139 -11.612
5 H1* G 69 H1* G 69 5.828 -20.993 -12.155
6 H8 G 69 H8 G 69 6.466 -21.353 -8.458
7 H1 G 69 H1 G 69 0.204 -20.797 -9.778
8 1H2 G 69 1H2 G 69 1.385 -20.225 -13.160
9 2H2 G 69 2H2 G 69 0.024 -20.262 -12.071
10 H5T G 69 H5T G 69 10.106 -22.855 -9.598
11 1H2* G 69 1H2* G 69 7.865 -20.535 -10.013
12 2H2* G 69 2H2* G 69 7.477 -19.407 -11.300
13 1H5* C 70 1H5* C 70 6.312 -20.108 -15.106
14 2H5* C 70 2H5* C 70 7.536 -19.412 -16.170
15 H4* C 70 H4* C 70 5.709 -18.659 -16.954
16 H3* C 70 H3* C 70 7.169 -16.615 -16.034
17 H1* C 70 H1* C 70 3.404 -16.784 -15.053
18 1H4 C 70 1H4 C 70 3.969 -17.298 -8.569
19 2H4 C 70 2H4 C 70 2.294 -16.962 -8.971
20 H5 C 70 H5 C 70 5.718 -17.722 -10.126
21 H6 C 70 H6 C 70 6.239 -17.527 -12.474
22 1H2* C 70 1H2* C 70 6.021 -15.891 -14.029
23 2H2* C 70 2H2* C 70 4.953 -15.190 -15.061
24 1H5* T 71 1H5* T 71 2.706 -15.486 -17.686
25 2H5* T 71 2H5* T 71 2.703 -13.837 -18.387
26 H4* T 71 H4* T 71 0.825 -14.322 -16.896
27 H3* T 71 H3* T 71 2.559 -12.004 -16.931
28 1H2* T 71 1H2* T 71 2.863 -11.921 -14.611
29 2H2* T 71 2H2* T 71 1.116 -11.557 -14.502
30 H1* T 71 H1* T 71 0.603 -13.775 -13.873
31 H3 T 71 H3 T 71 1.902 -14.720 -9.907
32 1H5M T 71 1H5M T 71 6.597 -14.419 -11.223
33 2H5M T 71 2H5M T 71 6.336 -13.749 -12.805
34 3H5M T 71 3H5M T 71 6.198 -12.764 -11.280
35 H6 T 71 H6 T 71 4.244 -13.449 -13.905
36 1H5* C 72 1H5* C 72 -1.594 -11.751 -15.260
37 2H5* C 72 2H5* C 72 -2.693 -10.564 -15.877
38 H4* C 72 H4* C 72 -3.186 -10.930 -13.365
39 H3* C 72 H3* C 72 -2.373 -8.403 -14.139
40 H1* C 72 H1* C 72 -2.005 -10.680 -11.130
41 1H4 C 72 1H4 C 72 4.537 -11.005 -9.814
42 2H4 C 72 2H4 C 72 3.568 -11.697 -8.499
43 H5 C 72 H5 C 72 3.455 -10.217 -11.817
44 H6 C 72 H6 C 72 1.212 -10.049 -12.874
45 1H2* C 72 1H2* C 72 -0.437 -8.525 -12.548
46 2H2* C 72 2H2* C 72 -1.663 -8.312 -11.326
47 1H5* T 73 1H5* T 73 -5.232 -9.178 -10.153
48 2H5* T 73 2H5* T 73 -6.265 -7.759 -9.855
49 H4* T 73 H4* T 73 -5.332 -8.741 -7.777
50 H3* T 73 H3* T 73 -5.093 -5.899 -8.494
51 1H2* T 73 1H2* T 73 -2.853 -6.078 -8.928
52 2H2* T 73 2H2* T 73 -2.771 -5.658 -7.159
53 H1* T 73 H1* T 73 -2.809 -7.860 -6.561
54 H3 T 73 H3 T 73 1.760 -8.596 -6.529
55 1H5M T 73 1H5M T 73 1.826 -5.833 -10.499
56 2H5M T 73 2H5M T 73 1.973 -7.383 -11.257
57 3H5M T 73 3H5M T 73 0.455 -6.551 -11.428
58 H6 T 73 H6 T 73 -1.213 -6.688 -9.745
59 1H5* A 74 1H5* A 74 -4.513 -7.399 -3.986
60 2H5* A 74 2H5* A 74 -5.916 -6.846 -3.115
61 H4* A 74 H4* A 74 -4.507 -7.054 -1.221
62 H3* A 74 H3* A 74 -5.177 -4.532 -1.689
63 H1* A 74 H1* A 74 -1.215 -5.526 -1.490
64 H8 A 74 H8 A 74 -2.387 -4.758 -5.067
65 1H6 A 74 1H6 A 74 3.633 -5.871 -6.034
66 2H6 A 74 2H6 A 74 2.095 -5.631 -6.986
67 H2 A 74 H2 A 74 2.995 -6.315 -1.987
68 1H2* A 74 1H2* A 74 -3.140 -3.934 -3.048
69 2H2* A 74 2H2* A 74 -2.677 -3.619 -1.303
70 1H5* A 75 1H5* A 75 -1.925 -5.677 0.730
71 2H5* A 75 2H5* A 75 -2.182 -5.298 2.502
72 H4* A 75 H4* A 75 0.140 -5.287 2.182
73 H3* A 75 H3* A 75 -1.031 -2.952 3.053
74 H1* A 75 H1* A 75 2.046 -3.500 0.764
75 H8 A 75 H8 A 75 -0.981 -2.116 -1.575
76 1H6 A 75 1H6 A 75 3.367 -2.427 -5.976
77 2H6 A 75 2H6 A 75 1.755 -1.768 -5.704
78 H2 A 75 H2 A 75 5.093 -3.892 -2.240
79 1H2* A 75 1H2* A 75 -0.589 -1.905 0.865
80 2H2* A 75 2H2* A 75 0.976 -1.434 1.647
81 1H5* T 76 1H5* T 76 3.300 -4.136 3.038
82 2H5* T 76 2H5* T 76 4.111 -3.522 4.597
83 H4* T 76 H4* T 76 5.584 -4.147 2.615
84 H3* T 76 H3* T 76 5.395 -1.741 4.255
85 1H2* T 76 1H2* T 76 4.842 -0.401 2.620
86 2H2* T 76 2H2* T 76 6.515 -0.172 2.208
87 H1* T 76 H1* T 76 6.542 -2.032 0.838
88 H3 T 76 H3 T 76 5.232 -0.105 -3.266
89 1H5M T 76 1H5M T 76 1.335 0.948 0.322
90 2H5M T 76 2H5M T 76 1.635 2.128 -0.909
91 3H5M T 76 3H5M T 76 0.867 0.513 -1.323
92 H6 T 76 H6 T 76 3.043 -0.442 1.000
93 1H5* C 77 1H5* C 77 9.048 -2.039 1.687
94 2H5* C 77 2H5* C 77 10.545 -1.807 2.736
95 H4* C 77 H4* C 77 11.319 -1.030 0.834
96 H3* C 77 H3* C 77 11.051 0.721 3.055
97 H1* C 77 H1* C 77 10.616 1.620 -0.621
98 1H4 C 77 1H4 C 77 4.209 3.643 -1.558
99 2H4 C 77 2H4 C 77 4.964 3.378 -3.106
100 H5 C 77 H5 C 77 5.357 2.800 0.555
101 H6 C 77 H6 C 77 7.593 2.118 1.407
102 1H2* C 77 1H2* C 77 9.499 2.095 2.179
103 2H2* C 77 2H2* C 77 10.836 2.797 1.356
104 1H5* C 78 1H5* C 78 12.769 1.695 -0.911
105 2H5* C 78 2H5* C 78 14.535 2.044 -0.783
106 H4* C 78 H4* C 78 13.845 3.288 -2.603
107 H3* C 78 H3* C 78 14.367 4.802 -0.180
108 H1* C 78 H1* C 78 11.807 5.572 -2.908
109 1H4 C 78 1H4 C 78 6.307 5.989 0.719
110 2H4 C 78 2H4 C 78 5.786 6.315 -0.985
111 H5 C 78 H5 C 78 8.342 5.093 1.299
112 H6 C 78 H6 C 78 10.684 4.773 0.468
113 1H2* C 78 1H2* C 78 12.544 5.933 -0.044
114 2H2* C 78 2H2* C 78 12.840 6.723 -1.533
115 1H5* C 79 1H5* C 79 14.186 6.261 -4.155
116 2H5* C 79 2H5* C 79 15.286 7.361 -4.836
117 H4* C 79 H4* C 79 13.188 7.921 -5.876
118 H3* C 79 H3* C 79 14.541 9.912 -4.188
119 H1* C 79 H1* C 79 10.938 9.439 -4.910
120 1H4 C 79 1H4 C 79 7.978 9.147 0.920
121 2H4 C 79 2H4 C 79 6.757 9.350 -0.371
122 H5 C 79 H5 C 79 10.380 8.844 0.402
123 H6 C 79 H6 C 79 11.974 8.606 -1.442
124 1H2* C 79 1H2* C 79 12.883 10.231 -2.812
125 2H2* C 79 2H2* C 79 12.067 11.214 -4.106
126 1H5* C 80 1H5* C 80 11.057 11.087 -7.001
127 2H5* C 80 2H5* C 80 11.846 12.159 -8.200
128 H4* C 80 H4* C 80 9.363 12.589 -8.164
129 H3* C 80 H3* C 80 11.011 14.911 -8.072
130 H1* C 80 H1* C 80 8.170 14.522 -5.906
131 1H4 C 80 1H4 C 80 9.591 12.592 0.279
132 2H4 C 80 2H4 C 80 7.804 12.330 0.103
133 H5 C 80 H5 C 80 11.002 12.816 -1.421
134 H6 C 80 H6 C 80 11.124 13.277 -3.817
135 1H2* C 80 1H2* C 80 11.238 14.810 -5.660
136 2H2* C 80 2H2* C 80 10.028 16.032 -5.872
137 1H5* G 81 1H5* G 81 6.677 16.216 -7.618
138 2H5* G 81 2H5* G 81 6.402 17.629 -8.521
139 H4* G 81 H4* G 81 5.374 18.271 -6.626
140 H3* G 81 H3* G 81 7.772 19.645 -6.945
141 H1* G 81 H1* G 81 6.321 18.419 -3.779
142 H8 G 81 H8 G 81 9.846 17.292 -3.755
143 H1 G 81 H1 G 81 6.371 15.315 1.313
144 1H2 G 81 1H2 G 81 3.833 16.546 -0.429
145 2H2 G 81 2H2 G 81 4.396 15.651 0.980
146 H3T G 81 H3T G 81 6.702 21.170 -6.064
147 1H2* G 81 1H2* G 81 8.952 18.425 -5.373
148 2H2* G 81 2H2* G 81 8.361 19.706 -4.292
149 1H5* C 82 1H5* C 82 0.125 15.461 8.179
150 2H5* C 82 2H5* C 82 0.446 13.804 8.513
151 H4* C 82 H4* C 82 -0.133 14.787 5.953
152 H3* C 82 H3* C 82 0.862 12.208 6.949
153 H1* C 82 H1* C 82 1.858 14.228 3.786
154 1H4 C 82 1H4 C 82 8.345 13.479 3.916
155 2H4 C 82 2H4 C 82 7.866 14.543 2.573
156 H5 C 82 H5 C 82 6.670 13.192 5.773
157 H6 C 82 H6 C 82 4.293 13.171 6.269
158 H5T C 82 H5T C 82 2.733 14.844 7.609
159 1H2* C 82 1H2* C 82 2.302 11.900 5.475
160 2H2* C 82 2H2* C 82 1.123 12.206 4.116
161 1H5* G 83 1H5* G 83 -2.763 12.376 3.470
162 2H5* G 83 2H5* G 83 -3.105 10.797 2.987
163 H4* G 83 H4* G 83 -2.712 12.462 1.083
164 H3* G 83 H3* G 83 -2.535 9.839 0.910
165 H1* G 83 H1* G 83 0.101 11.850 -0.527
166 H8 G 83 H8 G 83 1.515 10.481 2.655
167 H1 G 83 H1 G 83 5.951 13.016 -1.156
168 1H2 G 83 1H2 G 83 3.560 13.445 -3.291
169 2H2 G 83 2H2 G 83 5.110 13.898 -2.753
170 1H2* G 83 1H2* G 83 -0.265 9.631 1.445
171 2H2* G 83 2H2* G 83 -0.298 9.652 -0.326
172 1H5* G 84 1H5* G 84 -2.629 12.293 -3.524
173 2H5* G 84 2H5* G 84 -3.137 11.038 -4.563
174 H4* G 84 H4* G 84 -1.500 12.667 -5.522
175 H3* G 84 H3* G 84 -1.941 9.888 -6.182
176 H1* G 84 H1* G 84 1.618 11.214 -5.720
177 H8 G 84 H8 G 84 0.252 9.539 -2.677
178 H1 G 84 H1 G 84 6.617 10.285 -2.737
179 1H2 G 84 1H2 G 84 5.917 11.674 -5.596
180 2H2 G 84 2H2 G 84 7.193 10.962 -4.627
181 1H2* G 84 1H2* G 84 -0.426 9.148 -4.770
182 2H2* G 84 2H2* G 84 0.573 9.186 -6.302
183 1H5* G 85 1H5* G 85 1.742 10.529 -8.729
184 2H5* G 85 2H5* G 85 1.247 10.236 -10.370
185 H4* G 85 H4* G 85 3.276 9.033 -10.285
186 H3* G 85 H3* G 85 1.038 7.557 -10.625
187 H1* G 85 H1* G 85 3.704 6.493 -8.202
188 H8 G 85 H8 G 85 0.744 6.566 -5.877
189 H1 G 85 H1 G 85 6.375 6.783 -2.861
190 1H2 G 85 1H2 G 85 7.622 7.239 -5.898
191 2H2 G 85 2H2 G 85 7.953 6.878 -4.165
192 1H2* G 85 1H2* G 85 0.674 7.068 -8.297
193 2H2* G 85 2H2* G 85 1.606 5.616 -8.771
194 1H5* G 86 1H5* G 86 5.574 7.286 -11.813
195 2H5* G 86 2H5* G 86 5.958 6.892 -13.480
196 H4* G 86 H4* G 86 7.655 6.220 -12.141
197 H3* G 86 H3* G 86 6.244 4.176 -13.464
198 H1* G 86 H1* G 86 7.651 3.902 -9.803
199 H8 G 86 H8 G 86 3.855 4.007 -9.978
200 H1 G 86 H1 G 86 6.716 3.419 -4.252
201 1H2 G 86 1H2 G 86 9.456 3.183 -6.084
202 2H2 G 86 2H2 G 86 8.813 3.300 -4.435
203 1H2* G 86 1H2* G 86 5.371 3.119 -11.426
204 2H2* G 86 2H2* G 86 7.025 2.355 -11.360
205 1H5* A 87 1H5* A 87 9.988 3.198 -11.150
206 2H5* A 87 2H5* A 87 11.172 2.472 -12.108
207 H4* A 87 H4* A 87 11.611 1.588 -9.855
208 H3* A 87 H3* A 87 11.052 -0.414 -11.761
209 H1* A 87 H1* A 87 9.829 -0.323 -8.116
210 H8 A 87 H8 A 87 6.820 0.299 -10.421
211 1H6 A 87 1H6 A 87 3.876 0.954 -4.844
212 2H6 A 87 2H6 A 87 3.481 0.968 -6.544
213 H2 A 87 H2 A 87 7.854 0.067 -4.001
214 1H2* A 87 1H2* A 87 8.728 -0.413 -11.043
215 2H2* A 87 2H2* A 87 9.272 -1.820 -10.210
216 1H5* T 88 1H5* T 88 11.975 -1.092 -7.301
217 2H5* T 88 2H5* T 88 13.455 -2.164 -7.237
218 H4* T 88 H4* T 88 12.163 -2.094 -5.124
219 H3* T 88 H3* T 88 12.735 -4.741 -6.415
220 1H2* T 88 1H2* T 88 10.515 -5.135 -6.928
221 2H2* T 88 2H2* T 88 10.504 -5.630 -5.215
222 H1* T 88 H1* T 88 9.752 -3.563 -4.433
223 H3 T 88 H3 T 88 5.452 -3.055 -4.951
224 1H5M T 88 1H5M T 88 6.045 -3.986 -9.664
225 2H5M T 88 2H5M T 88 6.124 -2.282 -9.656
226 3H5M T 88 3H5M T 88 7.677 -3.051 -9.860
227 H6 T 88 H6 T 88 9.107 -3.676 -7.963
228 1H5* T 89 1H5* T 89 11.575 -4.586 -1.883
229 2H5* T 89 2H5* T 89 12.561 -5.553 -0.798
230 H4* T 89 H4* T 89 10.458 -5.563 0.152
231 H3* T 89 H3* T 89 11.431 -8.080 -0.696
232 1H2* T 89 1H2* T 89 10.167 -8.144 -2.622
233 2H2* T 89 2H2* T 89 9.041 -9.006 -1.545
234 H1* T 89 H1* T 89 8.012 -6.996 -0.933
235 H3 T 89 H3 T 89 4.657 -6.302 -3.903
236 1H5M T 89 1H5M T 89 8.226 -6.073 -7.216
237 2H5M T 89 2H5M T 89 9.055 -7.619 -6.636
238 3H5M T 89 3H5M T 89 7.453 -7.615 -7.483
239 H6 T 89 H6 T 89 9.341 -7.227 -4.492
240 1H5* A 90 1H5* A 90 7.272 -8.260 1.853
241 2H5* A 90 2H5* A 90 7.233 -9.802 2.795
242 H4* A 90 H4* A 90 5.132 -9.492 1.843
243 H3* A 90 H3* A 90 6.477 -11.837 1.778
244 H1* A 90 H1* A 90 4.191 -10.428 -0.731
245 H8 A 90 H8 A 90 7.582 -10.402 -2.525
246 1H6 A 90 1H6 A 90 4.112 -9.127 -7.456
247 2H6 A 90 2H6 A 90 5.745 -9.368 -6.804
248 H2 A 90 H2 A 90 1.519 -8.999 -3.811
249 1H2* A 90 1H2* A 90 7.057 -11.532 -0.600
250 2H2* A 90 2H2* A 90 5.684 -12.514 -0.853
251 1H5* G 91 1H5* G 91 1.922 -11.120 1.416
252 2H5* G 91 2H5* G 91 1.215 -12.222 2.665
253 H4* G 91 H4* G 91 -0.649 -11.473 1.224
254 H3* G 91 H3* G 91 -0.063 -14.160 1.410
255 H1* G 91 H1* G 91 -0.563 -12.266 -2.126
256 H8 G 91 H8 G 91 3.171 -12.882 -1.178
257 H1 G 91 H1 G 91 1.507 -11.997 -7.345
258 1H2 G 91 1H2 G 91 -1.580 -11.848 -5.834
259 2H2 G 91 2H2 G 91 -0.662 -11.716 -7.356
260 1H2* G 91 1H2* G 91 1.313 -14.181 -0.731
261 2H2* G 91 2H2* G 91 -0.318 -14.431 -1.468
262 1H5* A 92 1H5* A 92 -2.899 -12.521 -1.821
263 2H5* A 92 2H5* A 92 -4.420 -13.068 -1.166
264 H4* A 92 H4* A 92 -4.709 -12.507 -3.374
265 H3* A 92 H3* A 92 -5.618 -14.939 -2.846
266 H1* A 92 H1* A 92 -3.479 -14.368 -5.908
267 H8 A 92 H8 A 92 -1.322 -15.328 -3.183
268 1H6 A 92 1H6 A 92 3.147 -15.200 -7.692
269 2H6 A 92 2H6 A 92 3.029 -15.300 -5.977
270 H2 A 92 H2 A 92 -0.629 -14.302 -9.467
271 1H2* A 92 1H2* A 92 -3.431 -15.964 -3.205
272 2H2* A 92 2H2* A 92 -4.116 -16.380 -4.758
273 1H5* G 93 1H5* G 93 -5.014 -14.045 -7.979
274 2H5* G 93 2H5* G 93 -6.766 -13.750 -7.848
275 H4* G 93 H4* G 93 -6.727 -14.621 -9.968
276 H3* G 93 H3* G 93 -8.008 -16.384 -8.353
277 H1* G 93 H1* G 93 -4.672 -17.575 -10.344
278 H8 G 93 H8 G 93 -4.493 -17.490 -6.647
279 H1 G 93 H1 G 93 1.034 -17.976 -9.940
280 1H2 G 93 1H2 G 93 -0.909 -17.013 -12.570
281 2H2 G 93 2H2 G 93 0.680 -17.372 -11.904
282 1H2* G 93 1H2* G 93 -6.189 -17.521 -7.707
283 2H2* G 93 2H2* G 93 -6.581 -18.486 -9.151
284 1H5* C 94 1H5* C 94 -7.552 -17.613 -12.709
285 2H5* C 94 2H5* C 94 -8.474 -18.977 -13.279
286 H4* C 94 H4* C 94 -6.184 -19.010 -14.038
287 H3* C 94 H3* C 94 -7.694 -21.281 -13.122
288 H1* C 94 H1* C 94 -3.998 -20.277 -12.829
289 1H4 C 94 1H4 C 94 -2.031 -20.993 -6.723
290 2H4 C 94 2H4 C 94 -0.625 -21.198 -7.794
291 H5 C 94 H5 C 94 -4.211 -21.224 -7.582
292 H6 C 94 H6 C 94 -5.637 -20.617 -9.406
293 H3T C 94 H3T C 94 -5.331 -21.409 -14.459
294 1H2* C 94 1H2* C 94 -6.242 -21.654 -11.267
295 2H2* C 94 2H2* C 94 -5.233 -22.351 -12.532
296 1H GLY 1 1H GLY 1 -0.152 -11.654 8.133
297 2H GLY 1 2H GLY 1 0.646 -12.615 7.086
298 3H GLY 1 3H GLY 1 0.655 -10.957 6.941
299 1HA GLY 1 1HA GLY 1 1.988 -12.403 9.065
300 2HA GLY 1 2HA GLY 1 2.659 -11.291 7.764
301 HA PRO 2 HA PRO 2 0.887 -9.058 11.610
302 1HB PRO 2 1HB PRO 2 3.582 -9.520 12.830
303 2HB PRO 2 2HB PRO 2 2.016 -9.402 13.754
304 1HG PRO 2 1HG PRO 2 3.342 -11.655 13.323
305 2HG PRO 2 2HG PRO 2 1.524 -11.662 13.176
306 1HD PRO 2 1HD PRO 2 3.740 -11.605 10.965
307 2HD PRO 2 2HD PRO 2 2.002 -12.238 10.995
308 H ARG 3 H ARG 3 4.020 -8.821 9.963
309 HA ARG 3 HA ARG 3 3.513 -5.905 9.948
310 1HB ARG 3 1HB ARG 3 5.700 -5.348 9.753
311 2HB ARG 3 2HB ARG 3 5.463 -6.396 11.044
312 1HG ARG 3 1HG ARG 3 7.437 -7.131 10.240
313 2HG ARG 3 2HG ARG 3 6.445 -8.309 9.455
314 1HD ARG 3 1HD ARG 3 7.877 -7.740 7.863
315 2HD ARG 3 2HD ARG 3 6.344 -6.992 7.296
316 HE ARG 3 HE ARG 3 8.564 -5.486 8.559
317 1HH1 ARG 3 2HH1 ARG 3 5.663 -4.885 6.606
318 2HH1 ARG 3 1HH1 ARG 3 6.550 -3.672 5.624
319 1HH2 ARG 3 2HH2 ARG 3 9.455 -3.868 7.308
320 2HH2 ARG 3 1HH2 ARG 3 8.523 -2.963 6.237
321 H ARG 4 H ARG 4 2.932 -8.356 7.777
322 HA ARG 4 HA ARG 4 1.881 -6.280 6.105
323 1HB ARG 4 1HB ARG 4 2.977 -6.227 4.279
324 2HB ARG 4 2HB ARG 4 4.340 -6.230 5.362
325 1HG ARG 4 1HG ARG 4 3.134 -8.396 3.536
326 2HG ARG 4 2HG ARG 4 4.852 -7.777 3.541
327 1HD ARG 4 1HD ARG 4 3.876 -9.621 5.677
328 2HD ARG 4 2HD ARG 4 4.321 -10.063 4.018
329 HE ARG 4 HE ARG 4 6.424 -8.527 4.743
330 1HH1 ARG 4 2HH1 ARG 4 4.856 -11.227 6.180
331 2HH1 ARG 4 1HH1 ARG 4 6.384 -11.795 6.967
332 1HH2 ARG 4 2HH2 ARG 4 8.297 -9.516 5.534
333 2HH2 ARG 4 1HH2 ARG 4 8.181 -10.952 6.569
334 H THR 5 H THR 5 0.150 -7.067 4.894
335 HA THR 5 HA THR 5 -0.202 -9.878 4.146
336 HB THR 5 HB THR 5 -0.586 -9.890 6.456
337 HG1 THR 5 HG1 THR 5 -2.108 -11.022 6.289
338 1HG2 THR 5 1HG2 THR 5 -1.347 -7.451 6.966
339 2HG2 THR 5 2HG2 THR 5 -2.353 -8.792 7.628
340 3HG2 THR 5 3HG2 THR 5 -2.915 -8.023 6.143
341 H ARG 6 H ARG 6 -3.149 -9.383 4.262
342 HA ARG 6 HA ARG 6 -3.586 -7.588 1.885
343 1HB ARG 6 1HB ARG 6 -4.893 -10.231 2.316
344 2HB ARG 6 2HB ARG 6 -5.006 -9.257 0.856
345 1HG ARG 6 1HG ARG 6 -2.730 -10.900 1.785
346 2HG ARG 6 2HG ARG 6 -4.058 -11.411 0.818
347 1HD ARG 6 1HD ARG 6 -2.267 -11.003 -0.576
348 2HD ARG 6 2HD ARG 6 -3.390 -9.597 -0.915
349 HE ARG 6 HE ARG 6 -1.806 -8.580 1.127
350 1HH1 ARG 6 2HH1 ARG 6 -1.335 -9.255 -2.222
351 2HH1 ARG 6 1HH1 ARG 6 0.005 -8.066 -2.346
352 1HH2 ARG 6 2HH2 ARG 6 -0.208 -7.373 1.015
353 2HH2 ARG 6 1HH2 ARG 6 0.382 -6.866 -0.585
354 H THR 7 H THR 7 -5.689 -6.987 1.539
355 HA THR 7 HA THR 7 -7.723 -7.466 3.670
356 HB THR 7 HB THR 7 -7.413 -4.878 2.049
357 HG1 THR 7 HG1 THR 7 -6.162 -4.937 3.844
358 1HG2 THR 7 1HG2 THR 7 -9.826 -5.257 2.184
359 2HG2 THR 7 2HG2 THR 7 -9.494 -4.138 3.493
360 3HG2 THR 7 3HG2 THR 7 -9.771 -5.806 3.749
361 H THR 8 H THR 8 -9.747 -8.200 2.620
362 HA THR 8 HA THR 8 -9.863 -8.300 -0.364
363 HB THR 8 HB THR 8 -11.097 -10.390 1.577
364 HG1 THR 8 HG1 THR 8 -8.837 -10.468 1.831
365 1HG2 THR 8 1HG2 THR 8 -11.849 -10.133 -0.888
366 2HG2 THR 8 2HG2 THR 8 -11.109 -11.692 -0.398
367 3HG2 THR 8 3HG2 THR 8 -10.185 -10.585 -1.299
368 H PHE 9 H PHE 9 -10.759 -6.654 -0.682
369 HA PHE 9 HA PHE 9 -12.704 -5.598 1.057
370 1HB PHE 9 1HB PHE 9 -12.290 -4.636 -1.698
371 2HB PHE 9 2HB PHE 9 -13.000 -3.721 -0.403
372 HD1 PHE 9 HD1 PHE 9 -11.590 -2.533 1.171
373 HD2 PHE 9 HD2 PHE 9 -9.893 -5.311 -1.612
374 HE1 PHE 9 HE1 PHE 9 -9.513 -1.425 1.489
375 HE2 PHE 9 HE2 PHE 9 -7.600 -4.424 -1.064
376 HZ PHE 9 HZ PHE 9 -7.410 -2.459 0.621
377 H THR 10 H THR 10 -15.079 -4.780 0.429
378 HA THR 10 HA THR 10 -16.388 -6.736 -1.405
379 HB THR 10 HB THR 10 -18.436 -6.286 -0.509
380 HG1 THR 10 HG1 THR 10 -18.721 -4.685 1.077
381 1HG2 THR 10 1HG2 THR 10 -16.495 -5.998 1.851
382 2HG2 THR 10 2HG2 THR 10 -16.853 -7.619 0.965
383 3HG2 THR 10 3HG2 THR 10 -18.076 -6.575 1.940
384 H SER 11 H SER 11 -17.989 -5.962 -2.918
385 HA SER 11 HA SER 11 -17.122 -3.794 -4.645
386 1HB SER 11 1HB SER 11 -19.635 -5.555 -4.275
387 2HB SER 11 2HB SER 11 -19.598 -4.257 -5.470
388 HG SER 11 HG SER 11 -18.942 -6.108 -6.481
389 H SER 12 H SER 12 -19.494 -4.023 -2.030
390 HA SER 12 HA SER 12 -20.600 -1.403 -2.044
391 1HB SER 12 1HB SER 12 -20.419 -3.427 0.106
392 2HB SER 12 2HB SER 12 -21.166 -1.797 0.286
393 HG SER 12 HG SER 12 -22.144 -3.071 -2.009
394 H GLN 13 H GLN 13 -17.665 -2.694 -0.457
395 HA GLN 13 HA GLN 13 -16.776 -0.190 0.854
396 1HB GLN 13 1HB GLN 13 -15.335 -2.661 -0.013
397 2HB GLN 13 2HB GLN 13 -14.607 -1.260 0.802
398 1HG GLN 13 1HG GLN 13 -16.177 -1.376 2.639
399 2HG GLN 13 2HG GLN 13 -16.884 -2.877 1.970
400 1HE2 GLN 13 1HE2 GLN 13 -15.122 -1.693 4.324
401 2HE2 GLN 13 2HE2 GLN 13 -13.827 -2.861 4.385
402 H ILE 14 H ILE 14 -16.029 -1.775 -2.323
403 HA ILE 14 HA ILE 14 -14.553 0.522 -3.254
404 HB ILE 14 HB ILE 14 -15.997 -1.744 -4.687
405 1HG1 ILE 14 1HG1 ILE 14 -13.073 -1.159 -4.298
406 2HG1 ILE 14 2HG1 ILE 14 -14.052 -2.091 -3.233
407 1HG2 ILE 14 1HG2 ILE 14 -14.668 -1.102 -6.785
408 2HG2 ILE 14 2HG2 ILE 14 -15.833 0.153 -6.346
409 3HG2 ILE 14 3HG2 ILE 14 -14.087 0.298 -5.990
410 1HD1 ILE 14 1HD1 ILE 14 -12.969 -3.669 -4.642
411 2HD1 ILE 14 2HD1 ILE 14 -14.661 -3.577 -5.232
412 3HD1 ILE 14 3HD1 ILE 14 -13.296 -2.658 -6.081
413 H ALA 15 H ALA 15 -17.977 -0.233 -3.235
414 HA ALA 15 HA ALA 15 -18.623 1.889 -4.985
415 1HB ALA 15 1HB ALA 15 -20.334 0.665 -2.727
416 2HB ALA 15 2HB ALA 15 -21.021 1.483 -4.102
417 3HB ALA 15 3HB ALA 15 -20.006 0.040 -4.330
418 H GLU 16 H GLU 16 -18.431 1.953 -1.367
419 HA GLU 16 HA GLU 16 -19.216 4.580 -0.698
420 1HB GLU 16 1HB GLU 16 -17.532 2.503 0.351
421 2HB GLU 16 2HB GLU 16 -17.449 4.088 1.170
422 1HG GLU 16 1HG GLU 16 -19.401 1.891 1.201
423 2HG GLU 16 2HG GLU 16 -18.507 2.719 2.503
424 H LEU 17 H LEU 17 -16.167 2.947 -1.336
425 HA LEU 17 HA LEU 17 -14.387 5.022 -0.793
426 1HB LEU 17 1HB LEU 17 -14.103 2.354 -2.201
427 2HB LEU 17 2HB LEU 17 -12.799 3.376 -2.215
428 HG LEU 17 HG LEU 17 -14.159 2.761 0.328
429 1HD1 LEU 17 1HD1 LEU 17 -12.037 1.545 0.965
430 2HD1 LEU 17 2HD1 LEU 17 -11.442 1.502 -0.541
431 3HD1 LEU 17 3HD1 LEU 17 -12.977 0.613 -0.156
432 1HD2 LEU 17 1HD2 LEU 17 -12.498 3.812 1.541
433 2HD2 LEU 17 2HD2 LEU 17 -12.713 4.959 0.250
434 3HD2 LEU 17 3HD2 LEU 17 -11.332 3.917 0.145
435 H GLU 18 H GLU 18 -15.440 3.877 -3.959
436 HA GLU 18 HA GLU 18 -14.323 5.983 -5.560
437 1HB GLU 18 1HB GLU 18 -16.875 4.553 -6.059
438 2HB GLU 18 2HB GLU 18 -16.030 5.568 -7.198
439 1HG GLU 18 1HG GLU 18 -14.592 3.150 -6.157
440 2HG GLU 18 2HG GLU 18 -15.643 3.113 -7.535
441 H GLN 19 H GLN 19 -17.246 5.888 -3.614
442 HA GLN 19 HA GLN 19 -18.590 8.168 -4.825
443 1HB GLN 19 1HB GLN 19 -19.808 6.445 -3.861
444 2HB GLN 19 2HB GLN 19 -18.996 6.612 -2.311
445 1HG GLN 19 1HG GLN 19 -21.308 7.484 -2.305
446 2HG GLN 19 2HG GLN 19 -20.194 8.768 -1.940
447 1HE2 GLN 19 1HE2 GLN 19 -21.178 7.505 -5.147
448 2HE2 GLN 19 2HE2 GLN 19 -21.590 9.112 -5.886
449 H HIS 20 H HIS 20 -16.992 7.773 -1.630
450 HA HIS 20 HA HIS 20 -16.873 10.647 -1.110
451 1HB HIS 20 1HB HIS 20 -15.670 8.204 0.030
452 2HB HIS 20 2HB HIS 20 -15.343 9.789 0.766
453 HD1 HIS 20 HD1 HIS 20 -17.929 11.207 1.123
454 HD2 HIS 20 HD2 HIS 20 -17.662 7.005 1.122
455 HE1 HIS 20 HE1 HIS 20 -20.060 10.411 2.305
456 H PHE 21 H PHE 21 -14.602 8.319 -2.728
457 HA PHE 21 HA PHE 21 -12.527 10.189 -3.271
458 1HB PHE 21 1HB PHE 21 -12.105 8.098 -3.889
459 2HB PHE 21 2HB PHE 21 -13.700 8.008 -4.556
460 HD1 PHE 21 HD1 PHE 21 -14.125 7.745 -6.758
461 HD2 PHE 21 HD2 PHE 21 -10.673 10.078 -5.488
462 HE1 PHE 21 HE1 PHE 21 -13.583 8.290 -8.932
463 HE2 PHE 21 HE2 PHE 21 -10.060 10.493 -7.676
464 HZ PHE 21 HZ PHE 21 -11.598 9.747 -9.615
465 H LEU 22 H LEU 22 -15.771 9.797 -5.039
466 HA LEU 22 HA LEU 22 -15.268 11.779 -7.016
467 1HB LEU 22 1HB LEU 22 -17.879 11.411 -5.617
468 2HB LEU 22 2HB LEU 22 -17.636 12.207 -7.107
469 HG LEU 22 HG LEU 22 -17.544 9.155 -6.644
470 1HD1 LEU 22 1HD1 LEU 22 -19.397 9.214 -8.322
471 2HD1 LEU 22 2HD1 LEU 22 -19.248 11.049 -8.438
472 3HD1 LEU 22 3HD1 LEU 22 -19.691 10.192 -6.902
473 1HD2 LEU 22 1HD2 LEU 22 -15.684 9.899 -8.349
474 2HD2 LEU 22 2HD2 LEU 22 -16.878 10.530 -9.268
475 3HD2 LEU 22 3HD2 LEU 22 -16.941 8.715 -8.881
476 H GLN 23 H GLN 23 -16.024 12.256 -3.594
477 HA GLN 23 HA GLN 23 -16.676 15.052 -3.963
478 1HB GLN 23 1HB GLN 23 -16.475 13.492 -1.336
479 2HB GLN 23 2HB GLN 23 -17.283 15.043 -1.694
480 1HG GLN 23 1HG GLN 23 -17.935 12.233 -2.642
481 2HG GLN 23 2HG GLN 23 -18.751 13.115 -1.312
482 1HE2 GLN 23 1HE2 GLN 23 -19.579 11.775 -3.946
483 2HE2 GLN 23 2HE2 GLN 23 -20.196 12.979 -5.007
484 H GLY 24 H GLY 24 -13.815 13.087 -3.070
485 1HA GLY 24 1HA GLY 24 -12.066 15.596 -3.174
486 2HA GLY 24 2HA GLY 24 -11.956 14.623 -1.753
487 H ARG 25 H ARG 25 -10.693 14.973 -4.693
488 HA ARG 25 HA ARG 25 -10.565 12.306 -5.720
489 1HB ARG 25 1HB ARG 25 -9.435 14.966 -6.705
490 2HB ARG 25 2HB ARG 25 -9.048 13.534 -7.469
491 1HG ARG 25 1HG ARG 25 -10.800 14.482 -8.761
492 2HG ARG 25 2HG ARG 25 -11.182 12.930 -7.983
493 1HD ARG 25 1HD ARG 25 -13.037 14.731 -7.929
494 2HD ARG 25 2HD ARG 25 -12.500 14.095 -6.285
495 HE ARG 25 HE ARG 25 -11.092 16.378 -7.240
496 1HH1 ARG 25 2HH2 ARG 25 -14.224 15.295 -5.848
497 2HH1 ARG 25 1HH2 ARG 25 -14.422 16.831 -5.071
498 1HH2 ARG 25 2HH1 ARG 25 -11.503 18.018 -5.738
499 2HH2 ARG 25 1HH1 ARG 25 -13.112 18.210 -4.941
500 H TYR 26 H TYR 26 -8.512 13.820 -3.429
501 HA TYR 26 HA TYR 26 -6.460 11.681 -3.560
502 1HB TYR 26 1HB TYR 26 -5.901 14.639 -2.958
503 2HB TYR 26 2HB TYR 26 -4.680 13.492 -3.143
504 HD1 TYR 26 HD1 TYR 26 -4.424 12.649 -5.689
505 HD2 TYR 26 HD2 TYR 26 -7.112 15.871 -4.658
506 HE1 TYR 26 HE1 TYR 26 -4.860 13.112 -8.042
507 HE2 TYR 26 HE2 TYR 26 -7.274 16.519 -7.073
508 HH TYR 26 HH TYR 26 -6.315 14.249 -9.454
509 H LEU 27 H LEU 27 -5.730 11.032 -1.281
510 HA LEU 27 HA LEU 27 -7.521 11.992 0.907
511 1HB LEU 27 1HB LEU 27 -5.006 10.459 1.103
512 2HB LEU 27 2HB LEU 27 -6.360 10.580 2.226
513 HG LEU 27 HG LEU 27 -6.578 8.359 1.482
514 1HD1 LEU 27 1HD1 LEU 27 -8.843 10.006 0.220
515 2HD1 LEU 27 2HD1 LEU 27 -8.577 9.659 1.943
516 3HD1 LEU 27 3HD1 LEU 27 -8.719 8.276 0.886
517 1HD2 LEU 27 1HD2 LEU 27 -7.235 8.948 -1.227
518 2HD2 LEU 27 2HD2 LEU 27 -6.574 7.485 -0.503
519 3HD2 LEU 27 3HD2 LEU 27 -5.489 8.817 -0.750
520 H THR 28 H THR 28 -7.035 12.551 2.552
521 HA THR 28 HA THR 28 -4.563 13.909 3.503
522 HB THR 28 HB THR 28 -5.775 15.779 4.364
523 HG1 THR 28 HG1 THR 28 -8.010 16.099 3.255
524 1HG2 THR 28 1HG2 THR 28 -6.467 17.193 2.355
525 2HG2 THR 28 2HG2 THR 28 -6.143 15.785 1.323
526 3HG2 THR 28 3HG2 THR 28 -4.826 16.346 2.226
527 H ALA 29 H ALA 29 -4.430 13.864 5.568
528 HA ALA 29 HA ALA 29 -5.402 11.801 6.927
529 1HB ALA 29 1HB ALA 29 -3.601 13.410 8.060
530 2HB ALA 29 2HB ALA 29 -4.770 14.583 8.210
531 3HB ALA 29 3HB ALA 29 -5.023 13.078 9.127
532 HA PRO 30 HA PRO 30 -9.553 13.710 8.427
533 1HB PRO 30 1HB PRO 30 -10.664 15.403 6.549
534 2HB PRO 30 2HB PRO 30 -10.204 15.866 8.123
535 1HG PRO 30 1HG PRO 30 -8.609 16.110 5.625
536 2HG PRO 30 2HG PRO 30 -8.577 17.170 6.921
537 1HD PRO 30 1HD PRO 30 -6.655 15.436 6.521
538 2HD PRO 30 2HD PRO 30 -7.106 15.768 8.241
539 H ARG 31 H ARG 31 -8.911 13.434 4.874
540 HA ARG 31 HA ARG 31 -11.567 12.278 4.067
541 1HB ARG 31 1HB ARG 31 -8.788 12.518 2.725
542 2HB ARG 31 2HB ARG 31 -9.992 11.382 2.202
543 1HG ARG 31 1HG ARG 31 -9.716 13.376 0.893
544 2HG ARG 31 2HG ARG 31 -11.385 13.018 1.378
545 1HD ARG 31 1HD ARG 31 -10.685 14.872 3.285
546 2HD ARG 31 2HD ARG 31 -9.595 15.443 2.123
547 HE ARG 31 HE ARG 31 -12.525 15.122 1.697
548 1HH1 ARG 31 2HH1 ARG 31 -9.781 16.702 0.521
549 2HH1 ARG 31 1HH1 ARG 31 -10.653 18.039 -0.232
550 1HH2 ARG 31 2HH2 ARG 31 -13.707 16.491 0.803
551 2HH2 ARG 31 1HH2 ARG 31 -13.002 17.784 -0.229
552 H LEU 32 H LEU 32 -8.341 10.967 4.610
553 HA LEU 32 HA LEU 32 -8.661 8.313 4.199
554 1HB LEU 32 1HB LEU 32 -6.840 9.896 4.403
555 2HB LEU 32 2HB LEU 32 -6.796 9.701 6.153
556 HG LEU 32 HG LEU 32 -6.740 7.134 5.743
557 1HD1 LEU 32 1HD1 LEU 32 -5.556 6.486 3.729
558 2HD1 LEU 32 2HD1 LEU 32 -5.362 8.129 3.197
559 3HD1 LEU 32 3HD1 LEU 32 -6.972 7.387 3.202
560 1HD2 LEU 32 1HD2 LEU 32 -5.017 8.496 6.981
561 2HD2 LEU 32 2HD2 LEU 32 -4.391 8.900 5.388
562 3HD2 LEU 32 3HD2 LEU 32 -4.462 7.158 5.949
563 H ALA 33 H ALA 33 -8.722 10.127 7.250
564 HA ALA 33 HA ALA 33 -9.539 7.876 8.950
565 1HB ALA 33 1HB ALA 33 -8.160 9.665 9.845
566 2HB ALA 33 2HB ALA 33 -9.470 10.826 9.628
567 3HB ALA 33 3HB ALA 33 -9.668 9.549 10.735
568 H ASP 34 H ASP 34 -11.442 10.493 7.339
569 HA ASP 34 HA ASP 34 -13.793 9.717 8.565
570 1HB ASP 34 1HB ASP 34 -13.369 11.826 6.996
571 2HB ASP 34 2HB ASP 34 -13.413 10.754 5.671
572 H LEU 35 H LEU 35 -12.633 8.598 5.385
573 HA LEU 35 HA LEU 35 -14.650 6.541 5.199
574 1HB LEU 35 1HB LEU 35 -12.111 6.999 3.660
575 2HB LEU 35 2HB LEU 35 -12.852 5.286 3.667
576 HG LEU 35 HG LEU 35 -14.138 5.638 1.988
577 1HD1 LEU 35 1HD1 LEU 35 -15.854 7.090 1.845
578 2HD1 LEU 35 2HD1 LEU 35 -15.148 8.378 2.831
579 3HD1 LEU 35 3HD1 LEU 35 -15.739 6.979 3.625
580 1HD2 LEU 35 1HD2 LEU 35 -13.504 8.523 1.476
581 2HD2 LEU 35 2HD2 LEU 35 -13.430 7.252 0.357
582 3HD2 LEU 35 3HD2 LEU 35 -12.110 7.564 1.515
583 H SER 36 H SER 36 -11.615 6.564 6.878
584 HA SER 36 HA SER 36 -11.338 3.738 7.066
585 1HB SER 36 1HB SER 36 -10.718 5.891 9.095
586 2HB SER 36 2HB SER 36 -10.273 4.118 9.194
587 HG SER 36 HG SER 36 -9.567 5.622 6.940
588 H ALA 37 H ALA 37 -13.142 6.058 9.082
589 HA ALA 37 HA ALA 37 -14.498 4.081 10.709
590 1HB ALA 37 1HB ALA 37 -14.466 6.201 11.804
591 2HB ALA 37 2HB ALA 37 -15.005 7.154 10.357
592 3HB ALA 37 3HB ALA 37 -16.099 6.054 11.195
593 H LYS 38 H LYS 38 -15.548 5.701 7.652
594 HA LYS 38 HA LYS 38 -18.181 4.717 7.927
595 1HB LYS 38 1HB LYS 38 -17.350 6.872 6.617
596 2HB LYS 38 2HB LYS 38 -16.783 5.808 5.435
597 1HG LYS 38 1HG LYS 38 -18.713 6.785 4.951
598 2HG LYS 38 2HG LYS 38 -18.966 4.951 4.881
599 1HD LYS 38 1HD LYS 38 -21.034 6.201 5.633
600 2HD LYS 38 2HD LYS 38 -20.379 5.166 6.915
601 1HE LYS 38 1HE LYS 38 -21.118 7.392 7.692
602 2HE LYS 38 2HE LYS 38 -19.316 7.228 7.907
603 1HZ LYS 38 1HZ LYS 38 -18.960 8.543 5.998
604 2HZ LYS 38 2HZ LYS 38 -19.922 9.439 6.848
605 3HZ LYS 38 3HZ LYS 38 -20.508 8.636 5.588
606 H LEU 39 H LEU 39 -15.510 3.733 5.781
607 HA LEU 39 HA LEU 39 -16.655 1.299 4.747
608 1HB LEU 39 1HB LEU 39 -13.701 2.375 4.795
609 2HB LEU 39 2HB LEU 39 -14.329 0.899 4.093
610 HG LEU 39 HG LEU 39 -14.222 2.689 2.342
611 1HD1 LEU 39 1HD1 LEU 39 -16.900 1.484 2.656
612 2HD1 LEU 39 2HD1 LEU 39 -15.358 0.585 2.210
613 3HD1 LEU 39 3HD1 LEU 39 -15.936 1.749 1.156
614 1HD2 LEU 39 1HD2 LEU 39 -16.829 3.714 3.484
615 2HD2 LEU 39 2HD2 LEU 39 -15.790 4.329 2.179
616 3HD2 LEU 39 3HD2 LEU 39 -15.126 4.399 3.786
617 H ALA 40 H ALA 40 -15.110 1.856 7.628
618 HA ALA 40 HA ALA 40 -14.322 0.537 9.414
619 1HB ALA 40 1HB ALA 40 -15.268 -1.419 9.995
620 2HB ALA 40 2HB ALA 40 -16.573 -0.554 9.257
621 3HB ALA 40 3HB ALA 40 -15.754 -1.841 8.289
622 H LEU 41 H LEU 41 -12.429 1.153 8.140
623 HA LEU 41 HA LEU 41 -10.830 -1.189 7.293
624 1HB LEU 41 1HB LEU 41 -11.143 1.397 5.772
625 2HB LEU 41 2HB LEU 41 -9.710 0.361 5.573
626 HG LEU 41 HG LEU 41 -12.527 -0.489 4.933
627 1HD1 LEU 41 1HD1 LEU 41 -11.544 1.158 3.286
628 2HD1 LEU 41 2HD1 LEU 41 -11.805 -0.352 2.639
629 3HD1 LEU 41 3HD1 LEU 41 -10.184 -0.073 3.201
630 1HD2 LEU 41 1HD2 LEU 41 -11.534 -2.458 5.683
631 2HD2 LEU 41 2HD2 LEU 41 -9.928 -1.848 5.027
632 3HD2 LEU 41 3HD2 LEU 41 -11.267 -2.443 3.956
633 H GLY 42 H GLY 42 -8.499 -0.913 7.281
634 1HA GLY 42 1HA GLY 42 -7.293 0.628 9.288
635 2HA GLY 42 2HA GLY 42 -6.346 -0.058 8.063
636 H THR 43 H THR 43 -6.043 2.826 9.068
637 HA THR 43 HA THR 43 -6.990 4.788 7.151
638 HB THR 43 HB THR 43 -4.813 5.961 7.793
639 HG1 THR 43 HG1 THR 43 -4.903 4.178 10.013
640 1HG2 THR 43 1HG2 THR 43 -6.958 6.578 8.582
641 2HG2 THR 43 2HG2 THR 43 -5.681 6.733 9.727
642 3HG2 THR 43 3HG2 THR 43 -7.011 5.370 9.766
643 H ALA 44 H ALA 44 -4.211 2.634 7.267
644 HA ALA 44 HA ALA 44 -3.066 3.640 4.917
645 1HB ALA 44 1HB ALA 44 -1.742 2.246 6.647
646 2HB ALA 44 2HB ALA 44 -2.877 0.890 6.297
647 3HB ALA 44 3HB ALA 44 -1.724 1.489 5.105
648 H GLN 45 H GLN 45 -5.528 1.111 5.242
649 HA GLN 45 HA GLN 45 -5.304 0.339 2.489
650 1HB GLN 45 1HB GLN 45 -7.686 0.059 4.611
651 2HB GLN 45 2HB GLN 45 -7.947 -0.238 2.919
652 1HG GLN 45 1HG GLN 45 -7.566 -2.148 4.018
653 2HG GLN 45 2HG GLN 45 -6.101 -1.969 3.037
654 1HE2 GLN 45 1HE2 GLN 45 -7.177 -2.126 6.408
655 2HE2 GLN 45 2HE2 GLN 45 -5.547 -1.966 7.058
656 H VAL 46 H VAL 46 -7.063 3.141 3.948
657 HA VAL 46 HA VAL 46 -8.387 3.475 1.509
658 HB VAL 46 HB VAL 46 -8.010 5.774 3.560
659 1HG1 VAL 46 1HG1 VAL 46 -10.254 5.098 1.728
660 2HG1 VAL 46 2HG1 VAL 46 -9.977 6.579 2.626
661 3HG1 VAL 46 3HG1 VAL 46 -8.896 6.199 1.270
662 1HG2 VAL 46 1HG2 VAL 46 -9.808 3.307 3.587
663 2HG2 VAL 46 2HG2 VAL 46 -9.065 4.130 4.965
664 3HG2 VAL 46 3HG2 VAL 46 -10.377 4.879 4.287
665 H LYS 47 H LYS 47 -5.482 5.158 2.695
666 HA LYS 47 HA LYS 47 -4.614 6.628 0.363
667 1HB LYS 47 1HB LYS 47 -2.865 4.752 2.102
668 2HB LYS 47 2HB LYS 47 -2.195 5.669 0.811
669 1HG LYS 47 1HG LYS 47 -1.876 7.431 1.962
670 2HG LYS 47 2HG LYS 47 -3.551 7.602 2.418
671 1HD LYS 47 1HD LYS 47 -3.446 6.319 4.304
672 2HD LYS 47 2HD LYS 47 -1.762 5.685 3.811
673 1HE LYS 47 1HE LYS 47 -1.081 8.025 3.809
674 2HE LYS 47 2HE LYS 47 -2.536 8.448 4.700
675 1HZ LYS 47 1HZ LYS 47 -0.718 8.244 6.045
676 2HZ LYS 47 2HZ LYS 47 -0.506 6.557 5.650
677 3HZ LYS 47 3HZ LYS 47 -1.770 7.021 6.475
678 H ILE 48 H ILE 48 -4.018 3.306 1.041
679 HA ILE 48 HA ILE 48 -2.809 2.825 -1.622
680 HB ILE 48 HB ILE 48 -3.522 0.919 0.666
681 1HG1 ILE 48 1HG1 ILE 48 -0.779 1.947 -0.307
682 2HG1 ILE 48 2HG1 ILE 48 -1.672 2.937 0.689
683 1HG2 ILE 48 1HG2 ILE 48 -1.733 0.289 -1.713
684 2HG2 ILE 48 2HG2 ILE 48 -2.220 -0.746 -0.317
685 3HG2 ILE 48 3HG2 ILE 48 -3.395 -0.329 -1.550
686 1HD1 ILE 48 1HD1 ILE 48 -1.813 0.805 2.319
687 2HD1 ILE 48 2HD1 ILE 48 -0.406 0.339 1.422
688 3HD1 ILE 48 3HD1 ILE 48 -0.354 1.926 2.150
689 H TRP 49 H TRP 49 -6.069 1.979 -0.483
690 HA TRP 49 HA TRP 49 -6.935 0.783 -2.774
691 1HB TRP 49 1HB TRP 49 -8.343 0.719 -0.932
692 2HB TRP 49 2HB TRP 49 -8.415 2.553 -0.783
693 HD1 TRP 49 HD1 TRP 49 -8.896 -0.291 -3.440
694 HE1 TRP 49 HE1 TRP 49 -10.832 0.135 -5.014
695 HE3 TRP 49 HE3 TRP 49 -10.103 4.318 -1.725
696 HZ2 TRP 49 HZ2 TRP 49 -12.571 2.467 -5.674
697 HZ3 TRP 49 HZ3 TRP 49 -11.349 5.856 -3.294
698 HH2 TRP 49 HH2 TRP 49 -12.667 4.951 -5.142
699 H PHE 50 H PHE 50 -7.010 4.407 -1.984
700 HA PHE 50 HA PHE 50 -7.885 5.059 -4.713
701 1HB PHE 50 1HB PHE 50 -6.355 6.589 -2.593
702 2HB PHE 50 2HB PHE 50 -6.457 7.267 -4.156
703 HD1 PHE 50 HD1 PHE 50 -8.306 9.103 -4.358
704 HD2 PHE 50 HD2 PHE 50 -8.551 5.901 -1.390
705 HE1 PHE 50 HE1 PHE 50 -10.106 10.098 -3.276
706 HE2 PHE 50 HE2 PHE 50 -10.222 7.206 -0.218
707 HZ PHE 50 HZ PHE 50 -11.064 9.305 -1.192
708 H LYS 51 H LYS 51 -4.642 4.675 -3.335
709 HA LYS 51 HA LYS 51 -3.256 5.366 -5.626
710 1HB LYS 51 1HB LYS 51 -2.408 4.309 -3.255
711 2HB LYS 51 2HB LYS 51 -2.010 2.978 -4.259
712 1HG LYS 51 1HG LYS 51 -0.964 4.901 -5.746
713 2HG LYS 51 2HG LYS 51 -0.839 5.700 -4.137
714 1HD LYS 51 1HD LYS 51 0.355 2.863 -4.809
715 2HD LYS 51 2HD LYS 51 1.224 4.304 -5.083
716 1HE LYS 51 1HE LYS 51 -0.094 3.335 -2.477
717 2HE LYS 51 2HE LYS 51 1.617 2.881 -2.837
718 1HZ LYS 51 1HZ LYS 51 0.454 5.340 -1.990
719 2HZ LYS 51 2HZ LYS 51 1.846 5.353 -2.951
720 3HZ LYS 51 3HZ LYS 51 1.842 4.689 -1.461
721 H ASN 52 H ASN 52 -4.239 1.936 -4.957
722 HA ASN 52 HA ASN 52 -3.239 1.211 -7.597
723 1HB ASN 52 1HB ASN 52 -3.961 -1.011 -7.119
724 2HB ASN 52 2HB ASN 52 -3.445 -0.213 -5.683
725 1HD2 ASN 52 2HD2 ASN 52 -4.851 0.063 -3.883
726 2HD2 ASN 52 1HD2 ASN 52 -6.090 -1.172 -4.000
727 H ARG 53 H ARG 53 -6.559 1.998 -6.421
728 HA ARG 53 HA ARG 53 -7.994 1.594 -8.805
729 1HB ARG 53 1HB ARG 53 -8.742 2.085 -6.462
730 2HB ARG 53 2HB ARG 53 -8.494 3.793 -6.881
731 1HG ARG 53 1HG ARG 53 -10.742 3.455 -7.310
732 2HG ARG 53 2HG ARG 53 -10.055 3.306 -8.954
733 1HD ARG 53 1HD ARG 53 -10.218 0.788 -8.783
734 2HD ARG 53 2HD ARG 53 -10.863 1.071 -7.187
735 HE ARG 53 HE ARG 53 -12.511 2.543 -9.048
736 1HH1 ARG 53 2HH2 ARG 53 -11.840 -0.710 -8.051
737 2HH1 ARG 53 1HH2 ARG 53 -13.356 -1.359 -8.678
738 1HH2 ARG 53 2HH1 ARG 53 -14.708 1.689 -9.207
739 2HH2 ARG 53 1HH1 ARG 53 -14.848 0.040 -9.614
740 H ARG 54 H ARG 54 -6.774 4.804 -7.749
741 HA ARG 54 HA ARG 54 -7.243 6.239 -10.186
742 1HB ARG 54 1HB ARG 54 -5.391 6.803 -7.887
743 2HB ARG 54 2HB ARG 54 -5.139 7.635 -9.343
744 1HG ARG 54 1HG ARG 54 -6.637 8.905 -7.719
745 2HG ARG 54 2HG ARG 54 -7.265 8.588 -9.331
746 1HD ARG 54 1HD ARG 54 -8.040 6.670 -7.081
747 2HD ARG 54 2HD ARG 54 -8.627 8.302 -7.090
748 HE ARG 54 HE ARG 54 -9.099 7.476 -9.706
749 1HH1 ARG 54 2HH1 ARG 54 -9.939 6.692 -6.636
750 2HH1 ARG 54 1HH1 ARG 54 -11.416 5.729 -7.093
751 1HH2 ARG 54 2HH2 ARG 54 -10.858 6.081 -10.312
752 2HH2 ARG 54 1HH2 ARG 54 -11.894 5.524 -8.902
753 H ARG 55 H ARG 55 -4.415 4.593 -9.148
754 HA ARG 55 HA ARG 55 -2.885 5.087 -11.506
755 1HB ARG 55 1HB ARG 55 -1.857 4.406 -9.431
756 2HB ARG 55 2HB ARG 55 -2.580 2.781 -9.487
757 1HG ARG 55 1HG ARG 55 -0.562 2.263 -10.290
758 2HG ARG 55 2HG ARG 55 -1.245 2.660 -11.710
759 1HD ARG 55 1HD ARG 55 -0.443 4.953 -11.760
760 2HD ARG 55 2HD ARG 55 0.531 4.674 -10.277
761 HE ARG 55 HE ARG 55 1.196 4.052 -12.920
762 1HH1 ARG 55 2HH1 ARG 55 1.372 2.735 -9.834
763 2HH1 ARG 55 1HH1 ARG 55 2.709 1.614 -10.188
764 1HH2 ARG 55 2HH2 ARG 55 2.992 2.517 -13.465
765 2HH2 ARG 55 1HH2 ARG 55 3.356 1.418 -12.234
766 H ARG 56 H ARG 56 -4.657 2.281 -10.738
767 HA ARG 56 HA ARG 56 -4.382 0.875 -13.166
768 1HB ARG 56 1HB ARG 56 -5.416 0.036 -11.160
769 2HB ARG 56 2HB ARG 56 -6.973 0.831 -11.454
770 1HG ARG 56 1HG ARG 56 -7.236 -0.596 -13.652
771 2HG ARG 56 2HG ARG 56 -5.685 -1.259 -13.290
772 1HD ARG 56 1HD ARG 56 -8.083 -1.641 -11.487
773 2HD ARG 56 2HD ARG 56 -7.339 -2.832 -12.546
774 HE ARG 56 HE ARG 56 -5.763 -3.250 -11.126
775 1HH1 ARG 56 2HH1 ARG 56 -7.575 -0.586 -9.701
776 2HH1 ARG 56 1HH1 ARG 56 -6.560 -0.666 -8.294
777 1HH2 ARG 56 2HH2 ARG 56 -4.796 -3.238 -9.354
778 2HH2 ARG 56 1HH2 ARG 56 -5.552 -2.762 -7.852
779 H HIS 57 H HIS 57 -6.990 3.190 -12.311
780 HA HIS 57 HA HIS 57 -8.550 2.773 -14.615
781 1HB HIS 57 1HB HIS 57 -8.397 4.745 -12.347
782 2HB HIS 57 2HB HIS 57 -9.266 5.330 -13.741
783 HD1 HIS 57 HD1 HIS 57 -11.609 5.022 -12.188
784 HD2 HIS 57 HD2 HIS 57 -9.548 1.495 -13.158
785 HE1 HIS 57 HE1 HIS 57 -13.154 3.029 -11.671
786 H LYS 58 H LYS 58 -6.172 5.247 -13.772
787 HA LYS 58 HA LYS 58 -6.002 6.697 -16.285
788 1HB LYS 58 1HB LYS 58 -4.227 7.836 -15.618
789 2HB LYS 58 2HB LYS 58 -5.092 7.620 -14.189
790 1HG LYS 58 1HG LYS 58 -3.382 6.004 -13.478
791 2HG LYS 58 2HG LYS 58 -2.462 6.262 -14.890
792 1HD LYS 58 1HD LYS 58 -1.424 7.768 -13.615
793 2HD LYS 58 2HD LYS 58 -2.816 8.797 -14.193
794 1HE LYS 58 1HE LYS 58 -3.936 7.934 -12.049
795 2HE LYS 58 2HE LYS 58 -2.456 7.279 -11.581
796 1HZ LYS 58 1HZ LYS 58 -1.416 9.603 -11.933
797 2HZ LYS 58 2HZ LYS 58 -2.480 9.460 -10.664
798 3HZ LYS 58 3HZ LYS 58 -2.909 10.185 -12.037
799 H ILE 59 H ILE 59 -4.112 3.877 -15.366
800 HA ILE 59 HA ILE 59 -2.740 3.805 -17.985
801 HB ILE 59 HB ILE 59 -3.277 1.691 -15.891
802 1HG1 ILE 59 1HG1 ILE 59 -0.556 2.857 -16.577
803 2HG1 ILE 59 2HG1 ILE 59 -1.600 3.646 -15.430
804 1HG2 ILE 59 1HG2 ILE 59 -1.534 1.296 -18.399
805 2HG2 ILE 59 2HG2 ILE 59 -1.364 0.295 -17.048
806 3HG2 ILE 59 3HG2 ILE 59 -2.983 0.461 -17.834
807 1HD1 ILE 59 1HD1 ILE 59 -0.200 2.460 -14.099
808 2HD1 ILE 59 2HD1 ILE 59 -1.756 1.650 -14.142
809 3HD1 ILE 59 3HD1 ILE 59 -0.365 0.994 -15.147
810 H GLN 60 H GLN 60 -5.327 1.622 -16.939
811 HA GLN 60 HA GLN 60 -6.058 0.412 -19.076
812 1HB GLN 60 1HB GLN 60 -7.955 1.613 -17.131
813 2HB GLN 60 2HB GLN 60 -8.339 0.291 -18.346
814 1HG GLN 60 1HG GLN 60 -6.121 -0.082 -16.391
815 2HG GLN 60 2HG GLN 60 -7.740 -0.757 -16.058
816 1HE2 GLN 60 1HE2 GLN 60 -4.898 -2.130 -16.871
817 2HE2 GLN 60 2HE2 GLN 60 -5.560 -3.268 -17.953
818 H SER 61 H SER 61 -7.388 3.751 -18.295
819 HA SER 61 HA SER 61 -8.793 3.969 -20.757
820 1HB SER 61 1HB SER 61 -8.902 6.457 -20.085
821 2HB SER 61 2HB SER 61 -9.634 5.216 -19.116
822 HG SER 61 HG SER 61 -7.790 5.336 -17.691
823 H ASP 62 H ASP 62 -5.454 4.102 -20.218
824 HA ASP 62 HA ASP 62 -5.063 5.615 -22.769
825 1HB ASP 62 1HB ASP 62 -3.719 6.256 -20.904
826 2HB ASP 62 2HB ASP 62 -2.808 4.651 -21.016
827 H GLN 63 H GLN 63 -5.589 2.477 -21.829
828 HA GLN 63 HA GLN 63 -4.233 1.515 -24.247
829 1HB GLN 63 1HB GLN 63 -5.243 -0.110 -21.780
830 2HB GLN 63 2HB GLN 63 -4.440 -0.705 -23.243
831 1HG GLN 63 1HG GLN 63 -2.663 1.020 -22.901
832 2HG GLN 63 2HG GLN 63 -3.360 1.146 -21.284
833 1HE2 GLN 63 1HE2 GLN 63 -1.457 0.521 -20.283
834 2HE2 GLN 63 2HE2 GLN 63 -1.006 -1.223 -20.317
835 H HIS 64 H HIS 64 -7.501 1.500 -22.717
836 HA HIS 64 HA HIS 64 -8.614 -0.513 -24.514
837 1HB HIS 64 1HB HIS 64 -10.389 -0.513 -23.205
838 2HB HIS 64 2HB HIS 64 -9.072 -0.411 -21.998
839 HD1 HIS 64 HD1 HIS 64 -11.701 2.004 -23.647
840 HD2 HIS 64 HD2 HIS 64 -9.771 1.378 -20.007
841 HE1 HIS 64 HE1 HIS 64 -12.817 3.317 -22.045
842 H LYS 65 H LYS 65 -8.224 2.780 -24.735
843 HA LYS 65 HA LYS 65 -8.789 4.186 -26.529
844 1HB LYS 65 1HB LYS 65 -10.428 2.041 -27.901
845 2HB LYS 65 2HB LYS 65 -9.563 3.364 -28.657
846 1HG LYS 65 1HG LYS 65 -8.235 1.054 -27.409
847 2HG LYS 65 2HG LYS 65 -8.497 1.290 -29.136
848 1HD LYS 65 1HD LYS 65 -7.050 3.520 -28.634
849 2HD LYS 65 2HD LYS 65 -6.464 2.695 -27.180
850 1HE LYS 65 1HE LYS 65 -6.294 1.489 -29.927
851 2HE LYS 65 2HE LYS 65 -4.925 2.292 -29.115
852 1HZ LYS 65 1HZ LYS 65 -4.555 0.192 -28.724
853 2HZ LYS 65 2HZ LYS 65 -6.138 -0.325 -28.385
854 3HZ LYS 65 3HZ LYS 65 -5.350 0.633 -27.363
855 H ASP 66 H ASP 66 -10.773 4.683 -27.957
856 HA ASP 66 HA ASP 66 -12.347 6.347 -27.783
857 1HB ASP 66 1HB ASP 66 -13.817 3.676 -27.150
858 2HB ASP 66 2HB ASP 66 -14.603 5.242 -27.491
859 H GLN 67 H GLN 67 -11.017 6.234 -25.162
860 HA GLN 67 HA GLN 67 -13.057 7.882 -23.672
861 1HB GLN 67 1HB GLN 67 -11.876 5.948 -22.328
862 2HB GLN 67 2HB GLN 67 -10.349 6.894 -22.564
863 1HG GLN 67 1HG GLN 67 -11.413 7.066 -20.390
864 2HG GLN 67 2HG GLN 67 -11.269 8.619 -21.306
865 1HE2 GLN 67 1HE2 GLN 67 -13.095 9.597 -21.992
866 2HE2 GLN 67 2HE2 GLN 67 -14.585 9.446 -21.008
867 H SER 68 H SER 68 -10.700 8.345 -25.899
868 HA SER 68 HA SER 68 -10.655 11.169 -24.997
869 1HB SER 68 1HB SER 68 -8.287 11.340 -25.581
870 2HB SER 68 2HB SER 68 -8.710 10.371 -24.151
871 HG SER 68 HG SER 68 -7.152 9.527 -26.038
Start of MODEL 18
1 1H5* G 69 1H5* G 69 9.028 -22.949 -9.268
2 2H5* G 69 2H5* G 69 10.624 -22.841 -10.018
3 H4* G 69 H4* G 69 9.394 -22.298 -11.977
4 H3* G 69 H3* G 69 10.474 -19.967 -11.333
5 H1* G 69 H1* G 69 6.756 -19.950 -11.673
6 H8 G 69 H8 G 69 7.366 -20.140 -8.007
7 H1 G 69 H1 G 69 1.248 -20.866 -9.805
8 1H2 G 69 1H2 G 69 2.782 -20.387 -12.902
9 2H2 G 69 2H2 G 69 1.282 -20.385 -11.988
10 H5T G 69 H5T G 69 10.459 -21.837 -8.051
11 1H2* G 69 1H2* G 69 8.765 -19.435 -9.430
12 2H2* G 69 2H2* G 69 8.231 -18.459 -10.759
13 1H5* C 70 1H5* C 70 6.949 -20.346 -14.241
14 2H5* C 70 2H5* C 70 7.682 -19.554 -15.707
15 H4* C 70 H4* C 70 5.265 -19.577 -16.035
16 H3* C 70 H3* C 70 6.882 -17.273 -15.940
17 H1* C 70 H1* C 70 3.400 -17.726 -14.445
18 1H4 C 70 1H4 C 70 4.248 -17.009 -7.933
19 2H4 C 70 2H4 C 70 2.571 -16.529 -8.290
20 H5 C 70 H5 C 70 5.937 -17.160 -9.757
21 H6 C 70 H6 C 70 6.146 -17.551 -12.061
22 1H2* C 70 1H2* C 70 6.045 -16.349 -13.889
23 2H2* C 70 2H2* C 70 4.759 -15.811 -14.934
24 1H5* T 71 1H5* T 71 2.422 -16.963 -17.315
25 2H5* T 71 2H5* T 71 2.244 -15.830 -18.542
26 H4* T 71 H4* T 71 0.483 -15.634 -17.028
27 H3* T 71 H3* T 71 2.319 -13.568 -17.554
28 1H2* T 71 1H2* T 71 2.767 -13.109 -15.490
29 2H2* T 71 2H2* T 71 1.209 -12.221 -15.480
30 H1* T 71 H1* T 71 0.167 -14.329 -14.495
31 H3 T 71 H3 T 71 0.818 -13.963 -10.253
32 1H5M T 71 1H5M T 71 5.547 -13.569 -12.746
33 2H5M T 71 2H5M T 71 5.463 -13.148 -11.020
34 3H5M T 71 3H5M T 71 5.609 -14.838 -11.400
35 H6 T 71 H6 T 71 3.919 -14.172 -13.972
36 1H5* C 72 1H5* C 72 -1.927 -12.710 -16.444
37 2H5* C 72 2H5* C 72 -2.767 -11.222 -17.002
38 H4* C 72 H4* C 72 -2.834 -11.854 -14.452
39 H3* C 72 H3* C 72 -1.803 -9.209 -15.619
40 H1* C 72 H1* C 72 -1.791 -11.315 -12.403
41 1H4 C 72 1H4 C 72 4.496 -10.855 -10.912
42 2H4 C 72 2H4 C 72 3.480 -11.132 -9.467
43 H5 C 72 H5 C 72 3.375 -10.419 -13.058
44 H6 C 72 H6 C 72 1.187 -10.483 -14.089
45 1H2* C 72 1H2* C 72 -0.758 -8.691 -13.735
46 2H2* C 72 2H2* C 72 -2.184 -9.019 -12.694
47 1H5* T 73 1H5* T 73 -4.417 -9.310 -12.230
48 2H5* T 73 2H5* T 73 -5.885 -8.366 -12.395
49 H4* T 73 H4* T 73 -5.027 -8.332 -9.969
50 H3* T 73 H3* T 73 -4.980 -5.779 -11.424
51 1H2* T 73 1H2* T 73 -2.751 -5.577 -11.461
52 2H2* T 73 2H2* T 73 -3.038 -4.867 -9.823
53 H1* T 73 H1* T 73 -2.942 -6.835 -8.721
54 H3 T 73 H3 T 73 1.576 -8.037 -8.036
55 1H5M T 73 1H5M T 73 2.076 -5.641 -12.325
56 2H5M T 73 2H5M T 73 2.399 -7.347 -12.673
57 3H5M T 73 3H5M T 73 0.872 -6.687 -13.270
58 H6 T 73 H6 T 73 -0.937 -6.504 -11.780
59 1H5* A 74 1H5* A 74 -4.387 -5.677 -7.099
60 2H5* A 74 2H5* A 74 -5.263 -4.523 -6.114
61 H4* A 74 H4* A 74 -3.079 -4.982 -5.213
62 H3* A 74 H3* A 74 -3.968 -2.424 -5.645
63 H1* A 74 H1* A 74 -0.562 -3.835 -5.567
64 H8 A 74 H8 A 74 -0.744 -2.719 -9.086
65 1H6 A 74 1H6 A 74 5.154 -4.733 -9.005
66 2H6 A 74 2H6 A 74 4.061 -4.197 -10.309
67 H2 A 74 H2 A 74 3.379 -5.576 -5.305
68 1H2* A 74 1H2* A 74 -2.256 -1.908 -7.276
69 2H2* A 74 2H2* A 74 -1.355 -1.589 -5.637
70 1H5* A 75 1H5* A 75 -2.636 -5.004 -1.168
71 2H5* A 75 2H5* A 75 -3.119 -3.744 -0.072
72 H4* A 75 H4* A 75 -1.076 -5.008 0.613
73 H3* A 75 H3* A 75 -1.757 -2.424 1.135
74 H1* A 75 H1* A 75 1.830 -3.465 -0.271
75 H8 A 75 H8 A 75 -0.476 -1.758 -2.823
76 1H6 A 75 1H6 A 75 4.502 -1.730 -6.387
77 2H6 A 75 2H6 A 75 2.974 -0.985 -6.204
78 H2 A 75 H2 A 75 5.544 -3.922 -2.719
79 1H2* A 75 1H2* A 75 -0.493 -1.437 -0.483
80 2H2* A 75 2H2* A 75 0.761 -1.478 0.837
81 1H5* T 76 1H5* T 76 2.601 -4.409 2.213
82 2H5* T 76 2H5* T 76 3.186 -3.823 3.735
83 H4* T 76 H4* T 76 4.900 -3.736 1.957
84 H3* T 76 H3* T 76 4.095 -1.403 3.744
85 1H2* T 76 1H2* T 76 4.102 0.002 2.015
86 2H2* T 76 2H2* T 76 5.841 -0.089 1.957
87 H1* T 76 H1* T 76 5.888 -1.986 0.691
88 H3 T 76 H3 T 76 6.043 0.397 -3.283
89 1H5M T 76 1H5M T 76 1.657 2.107 -1.766
90 2H5M T 76 2H5M T 76 1.283 0.882 -3.021
91 3H5M T 76 3H5M T 76 1.081 0.418 -1.305
92 H6 T 76 H6 T 76 2.696 -0.256 0.053
93 1H5* C 77 1H5* C 77 8.480 -1.776 2.578
94 2H5* C 77 2H5* C 77 9.519 -1.291 3.852
95 H4* C 77 H4* C 77 10.000 -0.256 1.698
96 H3* C 77 H3* C 77 9.144 1.331 4.053
97 H1* C 77 H1* C 77 9.323 2.189 0.541
98 1H4 C 77 1H4 C 77 3.364 4.309 -0.879
99 2H4 C 77 2H4 C 77 4.025 3.939 -2.416
100 H5 C 77 H5 C 77 3.989 2.998 1.040
101 H6 C 77 H6 C 77 5.957 2.123 2.133
102 1H2* C 77 1H2* C 77 7.660 2.393 3.115
103 2H2* C 77 2H2* C 77 9.003 3.484 2.574
104 1H5* C 78 1H5* C 78 12.654 3.102 1.290
105 2H5* C 78 2H5* C 78 13.666 4.271 2.237
106 H4* C 78 H4* C 78 13.157 4.527 -0.267
107 H3* C 78 H3* C 78 13.479 6.332 1.868
108 H1* C 78 H1* C 78 11.160 6.850 -1.138
109 1H4 C 78 1H4 C 78 5.153 6.091 1.470
110 2H4 C 78 2H4 C 78 5.114 6.054 -0.350
111 H5 C 78 H5 C 78 7.245 5.810 2.571
112 H6 C 78 H6 C 78 9.847 6.165 2.145
113 1H2* C 78 1H2* C 78 11.580 7.656 1.749
114 2H2* C 78 2H2* C 78 12.295 8.209 0.185
115 1H5* C 79 1H5* C 79 13.458 7.124 -2.531
116 2H5* C 79 2H5* C 79 14.759 7.960 -3.187
117 H4* C 79 H4* C 79 12.998 8.607 -4.537
118 H3* C 79 H3* C 79 14.277 10.800 -3.169
119 H1* C 79 H1* C 79 10.670 10.305 -3.865
120 1H4 C 79 1H4 C 79 6.962 10.152 1.515
121 2H4 C 79 2H4 C 79 6.063 9.712 -0.031
122 H5 C 79 H5 C 79 9.547 9.623 1.359
123 H6 C 79 H6 C 79 11.307 9.763 -0.182
124 1H2* C 79 1H2* C 79 12.629 10.914 -1.584
125 2H2* C 79 2H2* C 79 11.965 12.073 -2.854
126 1H5* C 80 1H5* C 80 10.450 11.734 -6.229
127 2H5* C 80 2H5* C 80 11.514 12.380 -7.479
128 H4* C 80 H4* C 80 9.553 13.565 -8.091
129 H3* C 80 H3* C 80 11.578 15.105 -7.293
130 H1* C 80 H1* C 80 8.158 15.694 -5.349
131 1H4 C 80 1H4 C 80 8.887 13.126 0.463
132 2H4 C 80 2H4 C 80 7.132 12.966 0.210
133 H5 C 80 H5 C 80 10.382 13.084 -1.273
134 H6 C 80 H6 C 80 10.824 13.811 -3.571
135 1H2* C 80 1H2* C 80 11.211 15.259 -5.088
136 2H2* C 80 2H2* C 80 10.219 16.733 -5.435
137 1H5* G 81 1H5* G 81 7.339 17.000 -7.533
138 2H5* G 81 2H5* G 81 7.315 18.650 -8.143
139 H4* G 81 H4* G 81 5.825 18.749 -6.276
140 H3* G 81 H3* G 81 8.153 20.404 -6.374
141 H1* G 81 H1* G 81 6.150 19.105 -3.592
142 H8 G 81 H8 G 81 9.742 18.045 -2.637
143 H1 G 81 H1 G 81 4.921 15.997 1.323
144 1H2 G 81 1H2 G 81 2.947 17.696 -1.063
145 2H2 G 81 2H2 G 81 3.141 17.130 0.592
146 H3T G 81 H3T G 81 5.711 20.678 -5.642
147 1H2* G 81 1H2* G 81 9.123 19.050 -4.643
148 2H2* G 81 2H2* G 81 8.436 20.321 -3.667
149 1H5* C 82 1H5* C 82 -2.013 17.016 6.343
150 2H5* C 82 2H5* C 82 -2.851 15.466 6.207
151 H4* C 82 H4* C 82 -2.016 16.207 4.055
152 H3* C 82 H3* C 82 -0.465 13.736 5.216
153 H1* C 82 H1* C 82 0.515 16.180 2.593
154 1H4 C 82 1H4 C 82 6.234 14.398 4.982
155 2H4 C 82 2H4 C 82 6.639 15.453 3.621
156 H5 C 82 H5 C 82 4.142 13.737 5.640
157 H6 C 82 H6 C 82 1.752 14.202 5.462
158 H5T C 82 H5T C 82 -0.177 15.920 7.127
159 1H2* C 82 1H2* C 82 0.571 13.534 3.350
160 2H2* C 82 2H2* C 82 -0.605 14.260 2.383
161 1H5* G 83 1H5* G 83 -2.740 14.051 1.666
162 2H5* G 83 2H5* G 83 -3.973 12.822 1.561
163 H4* G 83 H4* G 83 -3.559 13.550 -0.642
164 H3* G 83 H3* G 83 -3.399 10.849 -0.542
165 H1* G 83 H1* G 83 -0.433 12.759 -1.991
166 H8 G 83 H8 G 83 0.306 12.019 1.720
167 H1 G 83 H1 G 83 5.487 14.184 -1.363
168 1H2 G 83 1H2 G 83 3.182 14.346 -3.962
169 2H2 G 83 2H2 G 83 4.896 14.419 -3.536
170 1H2* G 83 1H2* G 83 -1.138 10.660 0.260
171 2H2* G 83 2H2* G 83 -0.957 10.554 -1.471
172 1H5* G 84 1H5* G 84 -2.216 13.188 -4.526
173 2H5* G 84 2H5* G 84 -3.147 12.404 -5.777
174 H4* G 84 H4* G 84 -1.278 13.324 -6.836
175 H3* G 84 H3* G 84 -2.043 10.929 -7.238
176 H1* G 84 H1* G 84 1.785 11.489 -6.547
177 H8 G 84 H8 G 84 -0.141 9.926 -3.678
178 H1 G 84 H1 G 84 6.148 10.909 -2.651
179 1H2 G 84 1H2 G 84 6.097 11.437 -6.147
180 2H2 G 84 2H2 G 84 7.059 11.134 -4.755
181 1H2* G 84 1H2* G 84 -0.477 9.681 -5.798
182 2H2* G 84 2H2* G 84 0.379 9.771 -7.285
183 1H5* G 85 1H5* G 85 2.296 11.089 -9.075
184 2H5* G 85 2H5* G 85 2.174 10.795 -10.757
185 H4* G 85 H4* G 85 4.114 9.381 -9.965
186 H3* G 85 H3* G 85 1.677 7.768 -10.456
187 H1* G 85 H1* G 85 4.256 7.396 -7.857
188 H8 G 85 H8 G 85 1.028 7.552 -5.913
189 H1 G 85 H1 G 85 6.309 7.134 -2.346
190 1H2 G 85 1H2 G 85 7.875 7.193 -5.401
191 2H2 G 85 2H2 G 85 7.986 7.071 -3.638
192 1H2* G 85 1H2* G 85 1.189 7.719 -8.170
193 2H2* G 85 2H2* G 85 2.122 6.188 -8.485
194 1H5* G 86 1H5* G 86 6.321 7.945 -10.632
195 2H5* G 86 2H5* G 86 7.113 7.842 -12.196
196 H4* G 86 H4* G 86 8.674 7.018 -10.799
197 H3* G 86 H3* G 86 7.596 4.952 -12.477
198 H1* G 86 H1* G 86 8.515 4.455 -8.667
199 H8 G 86 H8 G 86 4.764 4.950 -9.407
200 H1 G 86 H1 G 86 6.348 3.897 -3.258
201 1H2 G 86 1H2 G 86 9.598 3.830 -4.828
202 2H2 G 86 2H2 G 86 8.674 3.370 -3.372
203 1H2* G 86 1H2* G 86 6.282 4.071 -10.713
204 2H2* G 86 2H2* G 86 7.729 3.102 -10.416
205 1H5* A 87 1H5* A 87 12.005 4.070 -9.969
206 2H5* A 87 2H5* A 87 12.814 3.230 -11.339
207 H4* A 87 H4* A 87 13.554 2.400 -9.125
208 H3* A 87 H3* A 87 12.842 0.730 -11.294
209 H1* A 87 H1* A 87 11.396 0.010 -7.698
210 H8 A 87 H8 A 87 9.116 1.407 -10.165
211 1H6 A 87 1H6 A 87 4.908 0.966 -5.490
212 2H6 A 87 2H6 A 87 4.898 1.079 -7.188
213 H2 A 87 H2 A 87 8.797 0.071 -3.941
214 1H2* A 87 1H2* A 87 10.735 0.386 -10.642
215 2H2* A 87 2H2* A 87 11.403 -0.994 -9.798
216 1H5* T 88 1H5* T 88 13.401 -0.140 -6.828
217 2H5* T 88 2H5* T 88 14.760 -1.216 -6.819
218 H4* T 88 H4* T 88 13.374 -1.536 -4.818
219 H3* T 88 H3* T 88 13.913 -3.844 -6.475
220 1H2* T 88 1H2* T 88 11.898 -3.922 -7.375
221 2H2* T 88 2H2* T 88 11.647 -4.977 -5.941
222 H1* T 88 H1* T 88 10.790 -3.109 -4.577
223 H3 T 88 H3 T 88 6.515 -2.648 -5.177
224 1H5M T 88 1H5M T 88 7.091 -2.977 -9.916
225 2H5M T 88 2H5M T 88 7.977 -1.360 -9.733
226 3H5M T 88 3H5M T 88 8.875 -2.833 -10.086
227 H6 T 88 H6 T 88 10.213 -2.635 -8.252
228 1H5* T 89 1H5* T 89 11.697 -3.871 -2.471
229 2H5* T 89 2H5* T 89 12.365 -5.117 -1.455
230 H4* T 89 H4* T 89 10.136 -4.776 -0.818
231 H3* T 89 H3* T 89 11.126 -7.284 -1.278
232 1H2* T 89 1H2* T 89 10.311 -7.434 -3.373
233 2H2* T 89 2H2* T 89 8.993 -8.297 -2.441
234 H1* T 89 H1* T 89 7.710 -6.183 -2.267
235 H3 T 89 H3 T 89 5.606 -5.725 -6.241
236 1H5M T 89 1H5M T 89 9.625 -5.159 -8.391
237 2H5M T 89 2H5M T 89 10.754 -6.310 -7.407
238 3H5M T 89 3H5M T 89 9.520 -6.973 -8.384
239 H6 T 89 H6 T 89 10.170 -6.424 -5.235
240 1H5* A 90 1H5* A 90 6.732 -7.138 -0.025
241 2H5* A 90 2H5* A 90 6.316 -7.743 1.612
242 H4* A 90 H4* A 90 4.553 -8.385 0.605
243 H3* A 90 H3* A 90 6.059 -10.690 0.541
244 H1* A 90 H1* A 90 3.991 -9.421 -2.049
245 H8 A 90 H8 A 90 7.252 -9.714 -3.801
246 1H6 A 90 1H6 A 90 3.873 -8.499 -8.891
247 2H6 A 90 2H6 A 90 5.565 -8.739 -8.409
248 H2 A 90 H2 A 90 1.378 -7.870 -5.532
249 1H2* A 90 1H2* A 90 6.820 -10.451 -1.644
250 2H2* A 90 2H2* A 90 5.329 -11.373 -1.897
251 1H5* G 91 1H5* G 91 1.293 -10.453 0.707
252 2H5* G 91 2H5* G 91 0.929 -11.969 1.635
253 H4* G 91 H4* G 91 -0.908 -11.233 0.463
254 H3* G 91 H3* G 91 0.011 -13.924 0.302
255 H1* G 91 H1* G 91 -0.951 -12.130 -2.919
256 H8 G 91 H8 G 91 2.848 -12.359 -2.202
257 H1 G 91 H1 G 91 1.289 -11.254 -8.297
258 1H2 G 91 1H2 G 91 -1.756 -11.184 -7.011
259 2H2 G 91 2H2 G 91 -0.894 -11.113 -8.543
260 1H2* G 91 1H2* G 91 1.003 -13.904 -1.749
261 2H2* G 91 2H2* G 91 -0.601 -14.208 -2.315
262 1H5* A 92 1H5* A 92 -4.360 -12.009 -2.160
263 2H5* A 92 2H5* A 92 -5.295 -13.308 -1.431
264 H4* A 92 H4* A 92 -6.244 -12.811 -3.563
265 H3* A 92 H3* A 92 -6.048 -15.330 -2.586
266 H1* A 92 H1* A 92 -4.571 -14.472 -6.193
267 H8 A 92 H8 A 92 -2.146 -15.137 -3.471
268 1H6 A 92 1H6 A 92 1.837 -14.440 -8.219
269 2H6 A 92 2H6 A 92 1.804 -14.682 -6.445
270 H2 A 92 H2 A 92 -2.086 -13.903 -9.759
271 1H2* A 92 1H2* A 92 -4.090 -16.062 -3.650
272 2H2* A 92 2H2* A 92 -5.144 -16.392 -4.987
273 1H5* G 93 1H5* G 93 -7.971 -14.993 -7.096
274 2H5* G 93 2H5* G 93 -9.143 -16.215 -7.421
275 H4* G 93 H4* G 93 -7.920 -15.712 -9.304
276 H3* G 93 H3* G 93 -8.232 -18.244 -8.538
277 H1* G 93 H1* G 93 -4.828 -16.930 -10.096
278 H8 G 93 H8 G 93 -4.636 -17.947 -6.513
279 H1 G 93 H1 G 93 0.846 -17.302 -9.656
280 1H2 G 93 1H2 G 93 -0.927 -16.007 -12.069
281 2H2 G 93 2H2 G 93 0.430 -16.979 -11.551
282 1H2* G 93 1H2* G 93 -6.114 -18.378 -7.795
283 2H2* G 93 2H2* G 93 -5.697 -19.024 -9.367
284 1H5* C 94 1H5* C 94 -6.109 -17.516 -12.991
285 2H5* C 94 2H5* C 94 -6.764 -18.743 -14.041
286 H4* C 94 H4* C 94 -4.285 -18.579 -14.460
287 H3* C 94 H3* C 94 -5.778 -20.962 -13.978
288 H1* C 94 H1* C 94 -2.374 -20.127 -13.170
289 1H4 C 94 1H4 C 94 -1.638 -20.902 -6.678
290 2H4 C 94 2H4 C 94 -0.039 -20.767 -7.426
291 H5 C 94 H5 C 94 -3.660 -20.907 -7.837
292 H6 C 94 H6 C 94 -4.443 -20.696 -10.063
293 H3T C 94 H3T C 94 -3.876 -20.079 -15.625
294 1H2* C 94 1H2* C 94 -4.676 -21.504 -11.979
295 2H2* C 94 2H2* C 94 -3.361 -22.158 -13.114
296 1H GLY 1 1H GLY 1 6.046 -11.320 3.438
297 2H GLY 1 2H GLY 1 4.833 -12.453 3.118
298 3H GLY 1 3H GLY 1 6.435 -12.864 3.151
299 1HA GLY 1 1HA GLY 1 6.626 -12.835 5.368
300 2HA GLY 1 2HA GLY 1 5.150 -11.854 5.473
301 HA PRO 2 HA PRO 2 4.585 -16.626 6.018
302 1HB PRO 2 1HB PRO 2 3.642 -15.847 8.734
303 2HB PRO 2 2HB PRO 2 4.439 -17.324 8.128
304 1HG PRO 2 1HG PRO 2 5.888 -15.326 9.361
305 2HG PRO 2 2HG PRO 2 6.456 -16.247 7.879
306 1HD PRO 2 1HD PRO 2 5.159 -13.500 8.058
307 2HD PRO 2 2HD PRO 2 6.664 -14.001 7.255
308 H ARG 3 H ARG 3 2.336 -13.958 7.142
309 HA ARG 3 HA ARG 3 0.452 -14.692 5.353
310 1HB ARG 3 1HB ARG 3 -0.210 -16.193 7.460
311 2HB ARG 3 2HB ARG 3 -0.390 -14.738 8.355
312 1HG ARG 3 1HG ARG 3 -2.717 -15.365 7.668
313 2HG ARG 3 2HG ARG 3 -2.193 -14.017 6.738
314 1HD ARG 3 1HD ARG 3 -1.704 -15.091 4.754
315 2HD ARG 3 2HD ARG 3 -1.751 -16.710 5.530
316 HE ARG 3 HE ARG 3 -4.229 -16.095 5.888
317 1HH1 ARG 3 2HH1 ARG 3 -2.421 -15.207 3.021
318 2HH1 ARG 3 1HH1 ARG 3 -3.768 -14.712 2.134
319 1HH2 ARG 3 2HH2 ARG 3 -5.967 -15.788 4.840
320 2HH2 ARG 3 1HH2 ARG 3 -6.039 -14.981 3.303
321 H ARG 4 H ARG 4 0.010 -12.684 4.487
322 HA ARG 4 HA ARG 4 -0.733 -10.314 6.196
323 1HB ARG 4 1HB ARG 4 0.796 -8.795 4.978
324 2HB ARG 4 2HB ARG 4 1.711 -10.023 5.956
325 1HG ARG 4 1HG ARG 4 2.468 -11.146 4.029
326 2HG ARG 4 2HG ARG 4 1.195 -10.503 3.080
327 1HD ARG 4 1HD ARG 4 3.062 -8.492 4.339
328 2HD ARG 4 2HD ARG 4 3.611 -9.543 3.030
329 HE ARG 4 HE ARG 4 2.088 -8.662 1.547
330 1HH1 ARG 4 2HH1 ARG 4 1.590 -6.765 4.658
331 2HH1 ARG 4 1HH1 ARG 4 0.943 -5.440 3.715
332 1HH2 ARG 4 2HH2 ARG 4 1.254 -6.840 0.665
333 2HH2 ARG 4 1HH2 ARG 4 0.712 -5.461 1.624
334 H THR 5 H THR 5 -1.740 -8.765 5.164
335 HA THR 5 HA THR 5 -3.718 -9.639 3.246
336 HB THR 5 HB THR 5 -4.821 -7.367 3.887
337 HG1 THR 5 HG1 THR 5 -3.342 -6.006 3.944
338 1HG2 THR 5 1HG2 THR 5 -5.307 -7.662 6.180
339 2HG2 THR 5 2HG2 THR 5 -3.838 -8.579 6.460
340 3HG2 THR 5 3HG2 THR 5 -5.035 -9.236 5.371
341 H ARG 6 H ARG 6 -4.548 -8.901 1.402
342 HA ARG 6 HA ARG 6 -3.411 -6.504 0.192
343 1HB ARG 6 1HB ARG 6 -3.342 -9.212 -1.040
344 2HB ARG 6 2HB ARG 6 -3.517 -7.649 -2.059
345 1HG ARG 6 1HG ARG 6 -1.472 -6.915 -0.760
346 2HG ARG 6 2HG ARG 6 -1.219 -8.566 -0.327
347 1HD ARG 6 1HD ARG 6 -0.729 -9.324 -2.445
348 2HD ARG 6 2HD ARG 6 -1.639 -8.147 -3.287
349 HE ARG 6 HE ARG 6 1.131 -7.775 -2.578
350 1HH1 ARG 6 2HH1 ARG 6 -1.950 -6.257 -3.759
351 2HH1 ARG 6 1HH1 ARG 6 -1.138 -4.771 -3.635
352 1HH2 ARG 6 2HH2 ARG 6 2.035 -5.859 -3.050
353 2HH2 ARG 6 1HH2 ARG 6 1.156 -4.892 -4.125
354 H THR 7 H THR 7 -5.201 -6.110 1.274
355 HA THR 7 HA THR 7 -7.800 -6.691 1.187
356 HB THR 7 HB THR 7 -6.849 -3.701 1.282
357 HG1 THR 7 HG1 THR 7 -7.203 -5.547 3.275
358 1HG2 THR 7 1HG2 THR 7 -8.857 -3.272 2.295
359 2HG2 THR 7 2HG2 THR 7 -9.170 -4.898 2.750
360 3HG2 THR 7 3HG2 THR 7 -9.382 -4.420 1.058
361 H THR 8 H THR 8 -8.864 -7.248 -0.268
362 HA THR 8 HA THR 8 -9.222 -5.760 -2.872
363 HB THR 8 HB THR 8 -9.936 -8.642 -2.101
364 HG1 THR 8 HG1 THR 8 -7.567 -8.103 -2.413
365 1HG2 THR 8 1HG2 THR 8 -10.189 -8.913 -4.511
366 2HG2 THR 8 2HG2 THR 8 -9.821 -7.195 -4.807
367 3HG2 THR 8 3HG2 THR 8 -11.286 -7.639 -3.999
368 H PHE 9 H PHE 9 -10.578 -4.350 -2.356
369 HA PHE 9 HA PHE 9 -12.551 -4.230 -0.303
370 1HB PHE 9 1HB PHE 9 -12.672 -2.634 -2.940
371 2HB PHE 9 2HB PHE 9 -13.460 -2.292 -1.445
372 HD1 PHE 9 HD1 PHE 9 -10.423 -2.062 -3.546
373 HD2 PHE 9 HD2 PHE 9 -11.634 -1.809 0.623
374 HE1 PHE 9 HE1 PHE 9 -8.219 -1.151 -2.911
375 HE2 PHE 9 HE2 PHE 9 -9.480 -0.733 1.095
376 HZ PHE 9 HZ PHE 9 -7.803 -0.371 -0.466
377 H THR 10 H THR 10 -14.745 -4.296 -0.171
378 HA THR 10 HA THR 10 -16.091 -5.994 -2.242
379 HB THR 10 HB THR 10 -18.047 -6.056 -0.524
380 HG1 THR 10 HG1 THR 10 -17.751 -4.758 1.264
381 1HG2 THR 10 1HG2 THR 10 -16.311 -7.557 -0.204
382 2HG2 THR 10 2HG2 THR 10 -17.041 -7.147 1.298
383 3HG2 THR 10 3HG2 THR 10 -15.439 -6.479 0.950
384 H SER 11 H SER 11 -18.320 -5.344 -2.899
385 HA SER 11 HA SER 11 -18.022 -2.873 -4.515
386 1HB SER 11 1HB SER 11 -20.607 -4.192 -3.531
387 2HB SER 11 2HB SER 11 -20.530 -2.871 -4.726
388 HG SER 11 HG SER 11 -20.293 -5.397 -5.248
389 H SER 12 H SER 12 -19.454 -3.490 -1.244
390 HA SER 12 HA SER 12 -20.556 -0.916 -1.061
391 1HB SER 12 1HB SER 12 -19.736 -2.839 1.180
392 2HB SER 12 2HB SER 12 -20.920 -1.546 1.376
393 HG SER 12 HG SER 12 -22.081 -2.736 -0.481
394 H GLN 13 H GLN 13 -17.329 -1.934 -0.197
395 HA GLN 13 HA GLN 13 -16.562 0.420 1.338
396 1HB GLN 13 1HB GLN 13 -14.966 -1.661 0.000
397 2HB GLN 13 2HB GLN 13 -14.306 -0.534 1.111
398 1HG GLN 13 1HG GLN 13 -15.950 -1.325 2.907
399 2HG GLN 13 2HG GLN 13 -16.387 -2.532 1.816
400 1HE2 GLN 13 1HE2 GLN 13 -14.116 -1.355 4.109
401 2HE2 GLN 13 2HE2 GLN 13 -13.090 -2.778 4.098
402 H ILE 14 H ILE 14 -16.115 -0.808 -2.062
403 HA ILE 14 HA ILE 14 -14.859 1.664 -2.948
404 HB ILE 14 HB ILE 14 -16.465 -0.390 -4.514
405 1HG1 ILE 14 1HG1 ILE 14 -13.508 -0.026 -4.160
406 2HG1 ILE 14 2HG1 ILE 14 -14.567 -1.358 -3.400
407 1HG2 ILE 14 1HG2 ILE 14 -16.155 1.942 -5.885
408 2HG2 ILE 14 2HG2 ILE 14 -14.477 1.698 -5.597
409 3HG2 ILE 14 3HG2 ILE 14 -15.426 0.573 -6.600
410 1HD1 ILE 14 1HD1 ILE 14 -13.858 -1.254 -6.292
411 2HD1 ILE 14 2HD1 ILE 14 -13.337 -2.429 -5.085
412 3HD1 ILE 14 3HD1 ILE 14 -15.013 -2.311 -5.382
413 H ALA 15 H ALA 15 -18.103 0.758 -2.508
414 HA ALA 15 HA ALA 15 -19.368 3.085 -3.720
415 1HB ALA 15 1HB ALA 15 -20.470 1.621 -1.368
416 2HB ALA 15 2HB ALA 15 -21.357 2.610 -2.613
417 3HB ALA 15 3HB ALA 15 -20.591 0.982 -3.026
418 H GLU 16 H GLU 16 -18.529 2.632 -0.293
419 HA GLU 16 HA GLU 16 -19.009 5.312 0.540
420 1HB GLU 16 1HB GLU 16 -17.201 3.221 1.430
421 2HB GLU 16 2HB GLU 16 -17.249 4.826 2.204
422 1HG GLU 16 1HG GLU 16 -18.857 2.315 2.446
423 2HG GLU 16 2HG GLU 16 -18.161 3.462 3.660
424 H LEU 17 H LEU 17 -15.997 3.753 -0.417
425 HA LEU 17 HA LEU 17 -14.286 5.908 0.082
426 1HB LEU 17 1HB LEU 17 -14.025 3.711 -1.914
427 2HB LEU 17 2HB LEU 17 -12.791 5.008 -1.636
428 HG LEU 17 HG LEU 17 -13.916 3.401 0.679
429 1HD1 LEU 17 1HD1 LEU 17 -13.003 1.594 -0.412
430 2HD1 LEU 17 2HD1 LEU 17 -11.841 2.117 0.740
431 3HD1 LEU 17 3HD1 LEU 17 -11.504 2.520 -0.925
432 1HD2 LEU 17 1HD2 LEU 17 -12.089 4.265 1.862
433 2HD2 LEU 17 2HD2 LEU 17 -12.233 5.540 0.709
434 3HD2 LEU 17 3HD2 LEU 17 -10.975 4.381 0.483
435 H GLU 18 H GLU 18 -16.097 5.008 -2.920
436 HA GLU 18 HA GLU 18 -15.455 7.538 -4.315
437 1HB GLU 18 1HB GLU 18 -17.683 5.597 -4.848
438 2HB GLU 18 2HB GLU 18 -17.379 7.176 -5.723
439 1HG GLU 18 1HG GLU 18 -14.944 6.179 -6.181
440 2HG GLU 18 2HG GLU 18 -15.624 4.676 -5.757
441 H GLN 19 H GLN 19 -18.638 6.687 -2.475
442 HA GLN 19 HA GLN 19 -19.601 9.189 -2.793
443 1HB GLN 19 1HB GLN 19 -20.485 7.015 -1.345
444 2HB GLN 19 2HB GLN 19 -19.973 8.122 -0.013
445 1HG GLN 19 1HG GLN 19 -22.262 8.487 -0.587
446 2HG GLN 19 2HG GLN 19 -21.285 9.866 -1.029
447 1HE2 GLN 19 1HE2 GLN 19 -22.513 10.636 -2.492
448 2HE2 GLN 19 2HE2 GLN 19 -22.471 9.984 -4.111
449 H HIS 20 H HIS 20 -17.191 8.497 -0.266
450 HA HIS 20 HA HIS 20 -17.166 11.227 0.586
451 1HB HIS 20 1HB HIS 20 -15.603 8.731 1.166
452 2HB HIS 20 2HB HIS 20 -15.203 10.316 1.796
453 HD1 HIS 20 HD1 HIS 20 -17.451 11.463 3.317
454 HD2 HIS 20 HD2 HIS 20 -17.572 7.377 2.304
455 HE1 HIS 20 HE1 HIS 20 -19.207 10.527 4.794
456 H PHE 21 H PHE 21 -14.995 9.387 -1.594
457 HA PHE 21 HA PHE 21 -13.285 11.586 -2.433
458 1HB PHE 21 1HB PHE 21 -12.917 9.465 -3.412
459 2HB PHE 21 2HB PHE 21 -14.614 9.274 -3.749
460 HD1 PHE 21 HD1 PHE 21 -15.433 9.599 -5.800
461 HD2 PHE 21 HD2 PHE 21 -11.620 11.325 -4.791
462 HE1 PHE 21 HE1 PHE 21 -15.213 10.423 -8.136
463 HE2 PHE 21 HE2 PHE 21 -11.170 11.762 -7.181
464 HZ PHE 21 HZ PHE 21 -12.906 11.162 -8.889
465 H LEU 22 H LEU 22 -16.656 11.142 -3.270
466 HA LEU 22 HA LEU 22 -16.684 13.359 -5.105
467 1HB LEU 22 1HB LEU 22 -19.159 12.888 -3.446
468 2HB LEU 22 2HB LEU 22 -18.983 13.586 -5.090
469 HG LEU 22 HG LEU 22 -18.441 10.631 -4.447
470 1HD1 LEU 22 1HD1 LEU 22 -21.026 11.648 -4.567
471 2HD1 LEU 22 2HD1 LEU 22 -20.530 10.181 -5.429
472 3HD1 LEU 22 3HD1 LEU 22 -20.542 11.850 -6.193
473 1HD2 LEU 22 1HD2 LEU 22 -18.247 12.335 -6.915
474 2HD2 LEU 22 2HD2 LEU 22 -18.436 10.507 -6.830
475 3HD2 LEU 22 3HD2 LEU 22 -17.066 11.371 -6.178
476 H GLN 23 H GLN 23 -16.538 13.513 -1.714
477 HA GLN 23 HA GLN 23 -17.094 16.310 -1.530
478 1HB GLN 23 1HB GLN 23 -15.808 14.547 0.661
479 2HB GLN 23 2HB GLN 23 -16.745 16.011 0.830
480 1HG GLN 23 1HG GLN 23 -17.804 13.268 0.103
481 2HG GLN 23 2HG GLN 23 -17.952 14.130 1.497
482 1HE2 GLN 23 1HE2 GLN 23 -19.680 13.196 -1.239
483 2HE2 GLN 23 2HE2 GLN 23 -20.670 14.612 -1.371
484 H GLY 24 H GLY 24 -14.230 14.391 -2.076
485 1HA GLY 24 1HA GLY 24 -13.025 16.781 -3.016
486 2HA GLY 24 2HA GLY 24 -12.228 16.425 -1.568
487 H ARG 25 H ARG 25 -11.580 16.262 -4.600
488 HA ARG 25 HA ARG 25 -11.534 13.645 -5.448
489 1HB ARG 25 1HB ARG 25 -9.635 15.771 -6.485
490 2HB ARG 25 2HB ARG 25 -10.067 14.314 -7.267
491 1HG ARG 25 1HG ARG 25 -12.488 15.105 -7.470
492 2HG ARG 25 2HG ARG 25 -12.008 16.475 -6.416
493 1HD ARG 25 1HD ARG 25 -10.205 16.814 -8.228
494 2HD ARG 25 2HD ARG 25 -11.264 15.717 -9.195
495 HE ARG 25 HE ARG 25 -13.066 17.616 -8.337
496 1HH1 ARG 25 2HH1 ARG 25 -10.390 17.185 -10.453
497 2HH1 ARG 25 1HH1 ARG 25 -10.683 18.413 -11.592
498 1HH2 ARG 25 2HH2 ARG 25 -13.596 19.380 -9.812
499 2HH2 ARG 25 1HH2 ARG 25 -12.766 19.529 -11.336
500 H TYR 26 H TYR 26 -9.175 15.167 -3.570
501 HA TYR 26 HA TYR 26 -7.259 12.855 -3.590
502 1HB TYR 26 1HB TYR 26 -6.729 15.824 -3.066
503 2HB TYR 26 2HB TYR 26 -5.398 14.623 -3.198
504 HD1 TYR 26 HD1 TYR 26 -7.752 16.852 -4.984
505 HD2 TYR 26 HD2 TYR 26 -4.852 13.697 -5.326
506 HE1 TYR 26 HE1 TYR 26 -8.074 16.853 -7.404
507 HE2 TYR 26 HE2 TYR 26 -4.835 13.949 -7.864
508 HH TYR 26 HH TYR 26 -5.856 15.206 -9.741
509 H LEU 27 H LEU 27 -6.371 11.892 -1.796
510 HA LEU 27 HA LEU 27 -7.986 12.093 0.504
511 1HB LEU 27 1HB LEU 27 -5.695 10.536 -0.496
512 2HB LEU 27 2HB LEU 27 -5.225 11.110 1.094
513 HG LEU 27 HG LEU 27 -7.815 9.649 0.691
514 1HD1 LEU 27 1HD1 LEU 27 -5.091 8.726 1.127
515 2HD1 LEU 27 2HD1 LEU 27 -6.289 8.372 -0.240
516 3HD1 LEU 27 3HD1 LEU 27 -6.683 7.841 1.448
517 1HD2 LEU 27 1HD2 LEU 27 -7.773 10.865 2.559
518 2HD2 LEU 27 2HD2 LEU 27 -6.197 10.105 3.081
519 3HD2 LEU 27 3HD2 LEU 27 -7.715 9.126 2.932
520 H THR 28 H THR 28 -7.442 12.749 2.806
521 HA THR 28 HA THR 28 -4.789 14.120 3.146
522 HB THR 28 HB THR 28 -6.087 15.765 4.687
523 HG1 THR 28 HG1 THR 28 -8.082 16.154 4.196
524 1HG2 THR 28 1HG2 THR 28 -6.889 16.164 1.700
525 2HG2 THR 28 2HG2 THR 28 -5.264 16.333 2.175
526 3HG2 THR 28 3HG2 THR 28 -6.312 17.431 2.935
527 H ALA 29 H ALA 29 -4.211 13.993 5.589
528 HA ALA 29 HA ALA 29 -4.890 11.602 6.725
529 1HB ALA 29 1HB ALA 29 -3.841 12.314 8.611
530 2HB ALA 29 2HB ALA 29 -2.882 13.027 7.253
531 3HB ALA 29 3HB ALA 29 -3.897 14.038 8.288
532 HA PRO 30 HA PRO 30 -8.526 13.355 9.362
533 1HB PRO 30 1HB PRO 30 -9.997 15.316 7.959
534 2HB PRO 30 2HB PRO 30 -9.131 15.388 9.536
535 1HG PRO 30 1HG PRO 30 -8.235 16.078 6.692
536 2HG PRO 30 2HG PRO 30 -7.737 16.933 8.193
537 1HD PRO 30 1HD PRO 30 -6.117 15.399 6.843
538 2HD PRO 30 2HD PRO 30 -6.176 15.487 8.647
539 H ARG 31 H ARG 31 -8.819 13.484 5.755
540 HA ARG 31 HA ARG 31 -11.299 12.057 5.456
541 1HB ARG 31 1HB ARG 31 -8.886 12.514 3.639
542 2HB ARG 31 2HB ARG 31 -10.098 11.354 3.166
543 1HG ARG 31 1HG ARG 31 -10.115 13.599 2.214
544 2HG ARG 31 2HG ARG 31 -11.561 12.768 2.681
545 1HD ARG 31 1HD ARG 31 -11.572 14.322 4.843
546 2HD ARG 31 2HD ARG 31 -10.109 15.064 4.257
547 HE ARG 31 HE ARG 31 -12.810 15.435 3.304
548 1HH1 ARG 31 2HH2 ARG 31 -9.497 16.019 2.653
549 2HH1 ARG 31 1HH2 ARG 31 -9.711 16.984 1.183
550 1HH2 ARG 31 2HH1 ARG 31 -13.154 17.123 2.001
551 2HH2 ARG 31 1HH1 ARG 31 -11.969 17.739 0.965
552 H LEU 32 H LEU 32 -7.836 10.897 5.193
553 HA LEU 32 HA LEU 32 -8.156 8.138 4.881
554 1HB LEU 32 1HB LEU 32 -6.036 9.545 4.949
555 2HB LEU 32 2HB LEU 32 -6.080 9.367 6.742
556 HG LEU 32 HG LEU 32 -6.188 6.730 5.987
557 1HD1 LEU 32 1HD1 LEU 32 -6.390 7.515 3.782
558 2HD1 LEU 32 2HD1 LEU 32 -4.836 6.621 3.881
559 3HD1 LEU 32 3HD1 LEU 32 -4.847 8.363 3.742
560 1HD2 LEU 32 1HD2 LEU 32 -4.247 7.914 7.270
561 2HD2 LEU 32 2HD2 LEU 32 -3.596 8.336 5.650
562 3HD2 LEU 32 3HD2 LEU 32 -3.843 6.635 6.113
563 H ALA 33 H ALA 33 -8.378 10.052 7.787
564 HA ALA 33 HA ALA 33 -8.994 7.815 9.605
565 1HB ALA 33 1HB ALA 33 -7.857 9.894 10.233
566 2HB ALA 33 2HB ALA 33 -9.280 10.864 10.029
567 3HB ALA 33 3HB ALA 33 -9.201 9.422 11.243
568 H ASP 34 H ASP 34 -11.035 10.470 8.201
569 HA ASP 34 HA ASP 34 -13.533 9.604 9.522
570 1HB ASP 34 1HB ASP 34 -13.078 11.924 8.746
571 2HB ASP 34 2HB ASP 34 -13.070 11.354 7.067
572 H LEU 35 H LEU 35 -12.048 8.877 6.338
573 HA LEU 35 HA LEU 35 -14.284 7.050 5.742
574 1HB LEU 35 1HB LEU 35 -12.086 8.107 4.320
575 2HB LEU 35 2HB LEU 35 -11.904 6.355 4.309
576 HG LEU 35 HG LEU 35 -13.596 6.032 2.826
577 1HD1 LEU 35 1HD1 LEU 35 -15.420 6.794 4.193
578 2HD1 LEU 35 2HD1 LEU 35 -15.554 7.297 2.497
579 3HD1 LEU 35 3HD1 LEU 35 -15.214 8.472 3.751
580 1HD2 LEU 35 1HD2 LEU 35 -13.090 9.076 2.241
581 2HD2 LEU 35 2HD2 LEU 35 -13.326 7.701 1.106
582 3HD2 LEU 35 3HD2 LEU 35 -11.866 7.836 2.063
583 H SER 36 H SER 36 -11.089 6.528 7.401
584 HA SER 36 HA SER 36 -11.270 3.736 7.471
585 1HB SER 36 1HB SER 36 -9.554 3.555 9.157
586 2HB SER 36 2HB SER 36 -9.252 5.038 8.251
587 HG SER 36 HG SER 36 -10.391 6.141 9.785
588 H ALA 37 H ALA 37 -12.374 5.715 9.954
589 HA ALA 37 HA ALA 37 -13.827 3.997 11.461
590 1HB ALA 37 1HB ALA 37 -13.493 6.336 12.149
591 2HB ALA 37 2HB ALA 37 -14.061 6.879 10.624
592 3HB ALA 37 3HB ALA 37 -15.206 6.170 11.910
593 H LYS 38 H LYS 38 -15.078 5.729 8.610
594 HA LYS 38 HA LYS 38 -17.753 4.557 8.686
595 1HB LYS 38 1HB LYS 38 -17.169 6.813 7.532
596 2HB LYS 38 2HB LYS 38 -16.407 5.881 6.274
597 1HG LYS 38 1HG LYS 38 -18.533 6.331 5.370
598 2HG LYS 38 2HG LYS 38 -18.737 4.708 5.775
599 1HD LYS 38 1HD LYS 38 -20.566 5.596 6.673
600 2HD LYS 38 2HD LYS 38 -19.630 5.585 8.138
601 1HE LYS 38 1HE LYS 38 -18.788 7.855 7.779
602 2HE LYS 38 2HE LYS 38 -19.553 8.002 6.249
603 1HZ LYS 38 1HZ LYS 38 -21.648 7.605 7.677
604 2HZ LYS 38 2HZ LYS 38 -20.928 9.113 7.864
605 3HZ LYS 38 3HZ LYS 38 -20.641 8.003 8.941
606 H LEU 39 H LEU 39 -14.980 3.956 6.479
607 HA LEU 39 HA LEU 39 -16.203 1.561 5.230
608 1HB LEU 39 1HB LEU 39 -13.414 2.880 5.283
609 2HB LEU 39 2HB LEU 39 -13.676 1.383 4.409
610 HG LEU 39 HG LEU 39 -13.607 3.203 2.960
611 1HD1 LEU 39 1HD1 LEU 39 -16.261 1.598 3.160
612 2HD1 LEU 39 2HD1 LEU 39 -14.752 1.061 2.578
613 3HD1 LEU 39 3HD1 LEU 39 -15.486 2.424 1.760
614 1HD2 LEU 39 1HD2 LEU 39 -15.364 4.690 2.891
615 2HD2 LEU 39 2HD2 LEU 39 -14.573 4.831 4.530
616 3HD2 LEU 39 3HD2 LEU 39 -16.225 4.174 4.235
617 H ALA 40 H ALA 40 -14.712 1.939 8.212
618 HA ALA 40 HA ALA 40 -14.099 0.546 9.793
619 1HB ALA 40 1HB ALA 40 -15.824 -1.254 9.921
620 2HB ALA 40 2HB ALA 40 -16.542 0.037 9.047
621 3HB ALA 40 3HB ALA 40 -15.986 -1.391 8.183
622 H LEU 41 H LEU 41 -12.222 0.768 7.867
623 HA LEU 41 HA LEU 41 -10.664 -1.616 8.334
624 1HB LEU 41 1HB LEU 41 -9.907 -1.941 6.020
625 2HB LEU 41 2HB LEU 41 -11.514 -2.158 6.191
626 HG LEU 41 HG LEU 41 -12.138 -0.389 4.731
627 1HD1 LEU 41 1HD1 LEU 41 -10.175 1.257 3.995
628 2HD1 LEU 41 2HD1 LEU 41 -9.650 0.958 5.675
629 3HD1 LEU 41 3HD1 LEU 41 -11.248 1.611 5.305
630 1HD2 LEU 41 1HD2 LEU 41 -11.113 -2.117 3.558
631 2HD2 LEU 41 2HD2 LEU 41 -9.522 -1.699 3.873
632 3HD2 LEU 41 3HD2 LEU 41 -10.597 -0.628 2.845
633 H GLY 42 H GLY 42 -8.359 -1.163 7.835
634 1HA GLY 42 1HA GLY 42 -7.446 1.032 9.387
635 2HA GLY 42 2HA GLY 42 -6.431 0.058 8.307
636 H THR 43 H THR 43 -6.198 2.848 8.913
637 HA THR 43 HA THR 43 -7.262 4.675 7.061
638 HB THR 43 HB THR 43 -4.925 5.786 7.815
639 HG1 THR 43 HG1 THR 43 -4.145 5.125 9.536
640 1HG2 THR 43 1HG2 THR 43 -5.909 6.267 10.218
641 2HG2 THR 43 2HG2 THR 43 -7.078 5.003 9.879
642 3HG2 THR 43 3HG2 THR 43 -6.998 6.584 8.932
643 H ALA 44 H ALA 44 -4.281 2.732 6.974
644 HA ALA 44 HA ALA 44 -3.007 3.979 4.969
645 1HB ALA 44 1HB ALA 44 -3.130 1.094 5.763
646 2HB ALA 44 2HB ALA 44 -2.000 1.572 4.585
647 3HB ALA 44 3HB ALA 44 -1.904 2.335 6.215
648 H GLN 45 H GLN 45 -5.442 1.285 4.934
649 HA GLN 45 HA GLN 45 -5.531 0.495 2.206
650 1HB GLN 45 1HB GLN 45 -7.812 0.250 4.291
651 2HB GLN 45 2HB GLN 45 -7.780 -0.356 2.773
652 1HG GLN 45 1HG GLN 45 -7.131 -2.311 4.063
653 2HG GLN 45 2HG GLN 45 -5.767 -1.668 3.078
654 1HE2 GLN 45 1HE2 GLN 45 -7.037 -2.419 6.320
655 2HE2 GLN 45 2HE2 GLN 45 -5.640 -1.783 7.201
656 H VAL 46 H VAL 46 -7.024 3.214 3.733
657 HA VAL 46 HA VAL 46 -8.752 3.961 1.500
658 HB VAL 46 HB VAL 46 -7.640 5.900 3.545
659 1HG1 VAL 46 1HG1 VAL 46 -9.672 7.185 3.131
660 2HG1 VAL 46 2HG1 VAL 46 -8.586 6.970 1.741
661 3HG1 VAL 46 3HG1 VAL 46 -10.130 6.029 1.893
662 1HG2 VAL 46 1HG2 VAL 46 -8.991 3.813 4.662
663 2HG2 VAL 46 2HG2 VAL 46 -9.596 5.339 5.049
664 3HG2 VAL 46 3HG2 VAL 46 -10.322 4.331 3.785
665 H LYS 47 H LYS 47 -5.325 5.140 2.590
666 HA LYS 47 HA LYS 47 -4.697 6.701 0.225
667 1HB LYS 47 1HB LYS 47 -3.258 5.224 2.419
668 2HB LYS 47 2HB LYS 47 -2.303 5.452 0.918
669 1HG LYS 47 1HG LYS 47 -2.291 7.578 1.066
670 2HG LYS 47 2HG LYS 47 -3.795 7.625 2.080
671 1HD LYS 47 1HD LYS 47 -2.602 6.708 3.907
672 2HD LYS 47 2HD LYS 47 -1.032 6.564 3.072
673 1HE LYS 47 1HE LYS 47 -1.242 8.972 2.557
674 2HE LYS 47 2HE LYS 47 -2.655 8.987 3.596
675 1HZ LYS 47 1HZ LYS 47 -0.911 9.758 4.701
676 2HZ LYS 47 2HZ LYS 47 0.097 8.545 4.423
677 3HZ LYS 47 3HZ LYS 47 -1.094 8.254 5.460
678 H ILE 48 H ILE 48 -3.990 3.246 0.941
679 HA ILE 48 HA ILE 48 -2.872 2.928 -1.527
680 HB ILE 48 HB ILE 48 -4.298 0.889 0.143
681 1HG1 ILE 48 1HG1 ILE 48 -2.233 1.979 1.268
682 2HG1 ILE 48 2HG1 ILE 48 -1.838 0.328 0.710
683 1HG2 ILE 48 1HG2 ILE 48 -3.017 -0.830 -0.981
684 2HG2 ILE 48 2HG2 ILE 48 -4.159 -0.027 -2.067
685 3HG2 ILE 48 3HG2 ILE 48 -2.391 0.353 -2.171
686 1HD1 ILE 48 1HD1 ILE 48 -0.782 1.588 -1.279
687 2HD1 ILE 48 2HD1 ILE 48 -1.077 3.099 -0.392
688 3HD1 ILE 48 3HD1 ILE 48 0.061 1.832 0.202
689 H TRP 49 H TRP 49 -6.396 2.783 -0.724
690 HA TRP 49 HA TRP 49 -7.297 1.791 -3.425
691 1HB TRP 49 1HB TRP 49 -8.772 1.860 -1.163
692 2HB TRP 49 2HB TRP 49 -8.630 3.584 -1.289
693 HD1 TRP 49 HD1 TRP 49 -9.887 1.056 -3.947
694 HE1 TRP 49 HE1 TRP 49 -11.638 2.124 -5.403
695 HE3 TRP 49 HE3 TRP 49 -9.996 5.697 -1.823
696 HZ2 TRP 49 HZ2 TRP 49 -13.297 4.345 -5.180
697 HZ3 TRP 49 HZ3 TRP 49 -11.404 7.534 -2.884
698 HH2 TRP 49 HH2 TRP 49 -12.990 6.900 -4.658
699 H PHE 50 H PHE 50 -7.355 5.160 -1.980
700 HA PHE 50 HA PHE 50 -8.113 6.402 -4.391
701 1HB PHE 50 1HB PHE 50 -6.186 7.577 -2.413
702 2HB PHE 50 2HB PHE 50 -6.613 8.324 -3.909
703 HD1 PHE 50 HD1 PHE 50 -8.452 9.562 -4.182
704 HD2 PHE 50 HD2 PHE 50 -8.264 7.153 -0.794
705 HE1 PHE 50 HE1 PHE 50 -10.365 10.735 -3.317
706 HE2 PHE 50 HE2 PHE 50 -10.193 8.551 0.321
707 HZ PHE 50 HZ PHE 50 -11.104 10.359 -0.943
708 H LYS 51 H LYS 51 -4.900 5.381 -3.308
709 HA LYS 51 HA LYS 51 -3.444 6.549 -5.382
710 1HB LYS 51 1HB LYS 51 -2.693 5.684 -2.999
711 2HB LYS 51 2HB LYS 51 -2.501 4.111 -3.630
712 1HG LYS 51 1HG LYS 51 -1.303 5.948 -5.536
713 2HG LYS 51 2HG LYS 51 -1.062 6.799 -4.151
714 1HD LYS 51 1HD LYS 51 -0.392 3.889 -4.654
715 2HD LYS 51 2HD LYS 51 0.830 5.225 -4.791
716 1HE LYS 51 1HE LYS 51 -0.611 4.250 -2.265
717 2HE LYS 51 2HE LYS 51 1.127 4.039 -2.585
718 1HZ LYS 51 1HZ LYS 51 -0.176 6.731 -1.974
719 2HZ LYS 51 2HZ LYS 51 1.248 6.519 -2.488
720 3HZ LYS 51 3HZ LYS 51 0.828 5.865 -1.003
721 H ASN 52 H ASN 52 -4.076 3.015 -4.741
722 HA ASN 52 HA ASN 52 -3.400 2.080 -7.233
723 1HB ASN 52 1HB ASN 52 -4.314 0.035 -6.893
724 2HB ASN 52 2HB ASN 52 -3.933 0.618 -5.270
725 1HD2 ASN 52 1HD2 ASN 52 -5.497 -0.892 -4.051
726 2HD2 ASN 52 2HD2 ASN 52 -7.176 -0.653 -4.504
727 H ARG 53 H ARG 53 -6.581 3.557 -6.517
728 HA ARG 53 HA ARG 53 -7.747 3.032 -8.936
729 1HB ARG 53 1HB ARG 53 -8.878 4.014 -6.937
730 2HB ARG 53 2HB ARG 53 -7.995 5.500 -7.110
731 1HG ARG 53 1HG ARG 53 -9.213 5.933 -9.216
732 2HG ARG 53 2HG ARG 53 -10.200 4.479 -8.968
733 1HD ARG 53 1HD ARG 53 -11.002 5.572 -6.824
734 2HD ARG 53 2HD ARG 53 -9.712 6.731 -7.024
735 HE ARG 53 HE ARG 53 -11.027 7.785 -8.675
736 1HH1 ARG 53 2HH1 ARG 53 -12.770 4.808 -8.068
737 2HH1 ARG 53 1HH1 ARG 53 -14.314 5.642 -8.390
738 1HH2 ARG 53 2HH2 ARG 53 -12.769 8.539 -9.454
739 2HH2 ARG 53 1HH2 ARG 53 -14.243 7.526 -9.354
740 H ARG 54 H ARG 54 -5.680 5.791 -8.057
741 HA ARG 54 HA ARG 54 -5.458 7.136 -10.600
742 1HB ARG 54 1HB ARG 54 -2.753 6.930 -9.368
743 2HB ARG 54 2HB ARG 54 -3.633 8.203 -10.002
744 1HG ARG 54 1HG ARG 54 -4.082 7.315 -7.140
745 2HG ARG 54 2HG ARG 54 -3.210 8.594 -7.738
746 1HD ARG 54 1HD ARG 54 -5.162 9.549 -8.921
747 2HD ARG 54 2HD ARG 54 -6.256 8.282 -8.311
748 HE ARG 54 HE ARG 54 -4.919 9.821 -6.193
749 1HH1 ARG 54 2HH1 ARG 54 -7.815 9.341 -8.185
750 2HH1 ARG 54 1HH1 ARG 54 -8.747 10.371 -7.171
751 1HH2 ARG 54 2HH2 ARG 54 -5.942 11.287 -5.295
752 2HH2 ARG 54 1HH2 ARG 54 -7.609 11.785 -5.870
753 H ARG 55 H ARG 55 -3.596 4.329 -9.417
754 HA ARG 55 HA ARG 55 -1.967 4.313 -11.848
755 1HB ARG 55 1HB ARG 55 -2.189 2.363 -9.483
756 2HB ARG 55 2HB ARG 55 -0.986 2.039 -10.707
757 1HG ARG 55 1HG ARG 55 -0.951 4.529 -9.103
758 2HG ARG 55 2HG ARG 55 -0.037 3.069 -8.901
759 1HD ARG 55 1HD ARG 55 -0.075 5.091 -11.210
760 2HD ARG 55 2HD ARG 55 1.140 5.046 -9.893
761 HE ARG 55 HE ARG 55 1.319 3.684 -12.376
762 1HH1 ARG 55 2HH1 ARG 55 2.315 3.668 -9.039
763 2HH1 ARG 55 1HH1 ARG 55 3.631 2.574 -9.385
764 1HH2 ARG 55 2HH2 ARG 55 3.066 2.559 -12.768
765 2HH2 ARG 55 1HH2 ARG 55 4.088 2.001 -11.409
766 H ARG 56 H ARG 56 -4.639 2.218 -10.747
767 HA ARG 56 HA ARG 56 -4.700 0.522 -12.995
768 1HB ARG 56 1HB ARG 56 -5.936 0.407 -10.676
769 2HB ARG 56 2HB ARG 56 -6.884 1.658 -11.334
770 1HG ARG 56 1HG ARG 56 -7.398 -0.089 -13.386
771 2HG ARG 56 2HG ARG 56 -6.260 -1.081 -12.516
772 1HD ARG 56 1HD ARG 56 -9.066 -0.196 -11.509
773 2HD ARG 56 2HD ARG 56 -8.820 -1.653 -12.190
774 HE ARG 56 HE ARG 56 -7.499 -2.456 -10.324
775 1HH1 ARG 56 2HH1 ARG 56 -8.697 0.890 -9.642
776 2HH1 ARG 56 1HH1 ARG 56 -7.941 0.817 -8.072
777 1HH2 ARG 56 2HH2 ARG 56 -7.130 -2.561 -8.427
778 2HH2 ARG 56 1HH2 ARG 56 -7.554 -1.353 -7.296
779 H HIS 57 H HIS 57 -6.267 3.728 -12.531
780 HA HIS 57 HA HIS 57 -7.639 3.644 -15.118
781 1HB HIS 57 1HB HIS 57 -8.092 5.184 -13.235
782 2HB HIS 57 2HB HIS 57 -6.511 6.084 -13.630
783 HD1 HIS 57 HD1 HIS 57 -9.968 5.424 -14.959
784 HD2 HIS 57 HD2 HIS 57 -6.664 7.863 -15.637
785 HE1 HIS 57 HE1 HIS 57 -10.697 7.101 -16.676
786 H LYS 58 H LYS 58 -4.246 4.894 -14.209
787 HA LYS 58 HA LYS 58 -3.904 5.887 -16.987
788 1HB LYS 58 1HB LYS 58 -1.757 6.667 -16.402
789 2HB LYS 58 2HB LYS 58 -2.762 6.982 -15.135
790 1HG LYS 58 1HG LYS 58 -1.829 5.031 -13.782
791 2HG LYS 58 2HG LYS 58 -0.641 4.901 -15.024
792 1HD LYS 58 1HD LYS 58 0.289 6.577 -13.316
793 2HD LYS 58 2HD LYS 58 -0.235 7.575 -14.630
794 1HE LYS 58 1HE LYS 58 -2.580 7.365 -13.428
795 2HE LYS 58 2HE LYS 58 -1.646 6.911 -12.011
796 1HZ LYS 58 1HZ LYS 58 -1.351 9.662 -13.275
797 2HZ LYS 58 2HZ LYS 58 -0.221 8.859 -12.392
798 3HZ LYS 58 3HZ LYS 58 -1.787 9.368 -11.829
799 H ILE 59 H ILE 59 -2.690 3.110 -15.231
800 HA ILE 59 HA ILE 59 -1.233 1.808 -17.300
801 HB ILE 59 HB ILE 59 -3.057 0.787 -15.021
802 1HG1 ILE 59 1HG1 ILE 59 0.122 0.561 -15.156
803 2HG1 ILE 59 2HG1 ILE 59 -0.773 2.042 -14.574
804 1HG2 ILE 59 1HG2 ILE 59 -3.008 -1.158 -16.396
805 2HG2 ILE 59 2HG2 ILE 59 -1.262 -0.818 -16.821
806 3HG2 ILE 59 3HG2 ILE 59 -1.781 -1.443 -15.250
807 1HD1 ILE 59 1HD1 ILE 59 -0.507 -0.574 -13.281
808 2HD1 ILE 59 2HD1 ILE 59 -0.221 1.112 -12.682
809 3HD1 ILE 59 3HD1 ILE 59 -1.869 0.555 -12.866
810 H GLN 60 H GLN 60 -4.658 1.387 -16.715
811 HA GLN 60 HA GLN 60 -5.205 -0.015 -19.189
812 1HB GLN 60 1HB GLN 60 -6.866 1.735 -17.459
813 2HB GLN 60 2HB GLN 60 -7.519 0.850 -18.807
814 1HG GLN 60 1HG GLN 60 -6.567 -1.279 -17.863
815 2HG GLN 60 2HG GLN 60 -6.343 -0.470 -16.301
816 1HE2 GLN 60 1HE2 GLN 60 -8.133 -2.079 -15.258
817 2HE2 GLN 60 2HE2 GLN 60 -9.724 -1.517 -15.530
818 H SER 61 H SER 61 -4.917 3.397 -18.658
819 HA SER 61 HA SER 61 -5.989 4.231 -21.267
820 1HB SER 61 1HB SER 61 -3.939 5.770 -19.564
821 2HB SER 61 2HB SER 61 -4.784 6.297 -20.939
822 HG SER 61 HG SER 61 -6.033 5.300 -18.533
823 H ASP 62 H ASP 62 -2.942 2.589 -20.329
824 HA ASP 62 HA ASP 62 -1.490 3.303 -22.719
825 1HB ASP 62 1HB ASP 62 -0.507 3.280 -20.446
826 2HB ASP 62 2HB ASP 62 -0.685 1.504 -20.427
827 H GLN 63 H GLN 63 -3.841 0.902 -22.067
828 HA GLN 63 HA GLN 63 -2.735 -0.822 -24.217
829 1HB GLN 63 1HB GLN 63 -3.306 -2.832 -22.750
830 2HB GLN 63 2HB GLN 63 -1.877 -1.752 -22.422
831 1HG GLN 63 1HG GLN 63 -3.276 -0.742 -20.523
832 2HG GLN 63 2HG GLN 63 -4.489 -1.829 -20.778
833 1HE2 GLN 63 1HE2 GLN 63 -1.544 -1.359 -19.192
834 2HE2 GLN 63 2HE2 GLN 63 -1.402 -2.995 -18.633
835 H HIS 64 H HIS 64 -5.748 -0.593 -22.097
836 HA HIS 64 HA HIS 64 -7.604 -0.218 -24.134
837 1HB HIS 64 1HB HIS 64 -7.200 -2.838 -24.415
838 2HB HIS 64 2HB HIS 64 -7.614 -3.087 -22.778
839 HD1 HIS 64 HD1 HIS 64 -10.231 -3.772 -22.525
840 HD2 HIS 64 HD2 HIS 64 -9.323 -1.227 -25.857
841 HE1 HIS 64 HE1 HIS 64 -12.330 -3.456 -23.949
842 H LYS 65 H LYS 65 -9.526 0.483 -22.990
843 HA LYS 65 HA LYS 65 -9.388 0.307 -19.945
844 1HB LYS 65 1HB LYS 65 -10.770 2.053 -21.877
845 2HB LYS 65 2HB LYS 65 -11.011 2.272 -20.135
846 1HG LYS 65 1HG LYS 65 -8.770 2.668 -19.702
847 2HG LYS 65 2HG LYS 65 -8.259 2.296 -21.318
848 1HD LYS 65 1HD LYS 65 -8.345 4.687 -20.860
849 2HD LYS 65 2HD LYS 65 -9.407 4.233 -22.236
850 1HE LYS 65 1HE LYS 65 -11.253 4.078 -20.718
851 2HE LYS 65 2HE LYS 65 -10.284 4.748 -19.359
852 1HZ LYS 65 1HZ LYS 65 -9.789 6.734 -20.493
853 2HZ LYS 65 2HZ LYS 65 -11.368 6.666 -20.229
854 3HZ LYS 65 3HZ LYS 65 -10.815 6.385 -21.713
855 H ASP 66 H ASP 66 -10.670 -0.980 -18.888
856 HA ASP 66 HA ASP 66 -12.882 -2.303 -19.865
857 1HB ASP 66 1HB ASP 66 -13.506 -2.852 -17.574
858 2HB ASP 66 2HB ASP 66 -11.878 -3.280 -17.968
859 H GLN 67 H GLN 67 -12.710 0.915 -18.960
860 HA GLN 67 HA GLN 67 -15.585 1.311 -18.184
861 1HB GLN 67 1HB GLN 67 -13.931 2.589 -17.017
862 2HB GLN 67 2HB GLN 67 -13.303 3.170 -18.568
863 1HG GLN 67 1HG GLN 67 -16.225 3.609 -18.063
864 2HG GLN 67 2HG GLN 67 -15.159 4.336 -16.850
865 1HE2 GLN 67 1HE2 GLN 67 -16.866 5.548 -19.119
866 2HE2 GLN 67 2HE2 GLN 67 -15.654 6.586 -20.006
867 H SER 68 H SER 68 -13.484 2.757 -20.859
868 HA SER 68 HA SER 68 -15.408 3.855 -22.426
869 1HB SER 68 1HB SER 68 -13.069 2.391 -23.646
870 2HB SER 68 2HB SER 68 -13.869 3.822 -24.230
871 HG SER 68 HG SER 68 -13.170 5.073 -22.824
Start of MODEL 19
1 1H5* G 69 1H5* G 69 7.634 -25.624 -10.304
2 2H5* G 69 2H5* G 69 9.198 -25.117 -10.668
3 H4* G 69 H4* G 69 7.844 -24.626 -12.685
4 H3* G 69 H3* G 69 9.269 -22.749 -11.607
5 H1* G 69 H1* G 69 5.515 -21.959 -12.272
6 H8 G 69 H8 G 69 6.354 -22.014 -8.484
7 H1 G 69 H1 G 69 0.201 -21.487 -10.029
8 1H2 G 69 1H2 G 69 1.435 -21.468 -13.194
9 2H2 G 69 2H2 G 69 -0.043 -21.373 -12.224
10 H5T G 69 H5T G 69 9.206 -23.641 -9.209
11 1H2* G 69 1H2* G 69 7.667 -21.585 -10.148
12 2H2* G 69 2H2* G 69 7.281 -20.711 -11.563
13 1H5* C 70 1H5* C 70 6.534 -21.775 -14.779
14 2H5* C 70 2H5* C 70 7.241 -21.035 -16.299
15 H4* C 70 H4* C 70 5.012 -20.421 -16.374
16 H3* C 70 H3* C 70 6.897 -18.249 -15.959
17 H1* C 70 H1* C 70 3.322 -18.410 -14.575
18 1H4 C 70 1H4 C 70 4.342 -18.741 -8.144
19 2H4 C 70 2H4 C 70 2.842 -17.813 -8.407
20 H5 C 70 H5 C 70 6.005 -18.805 -9.883
21 H6 C 70 H6 C 70 6.168 -18.981 -12.200
22 1H2* C 70 1H2* C 70 6.097 -17.493 -14.007
23 2H2* C 70 2H2* C 70 4.778 -16.742 -14.838
24 1H5* T 71 1H5* T 71 2.534 -17.466 -17.335
25 2H5* T 71 2H5* T 71 2.313 -16.215 -18.461
26 H4* T 71 H4* T 71 0.550 -16.298 -17.043
27 H3* T 71 H3* T 71 2.118 -13.964 -17.508
28 1H2* T 71 1H2* T 71 2.462 -13.450 -15.081
29 2H2* T 71 2H2* T 71 0.683 -13.120 -15.059
30 H1* T 71 H1* T 71 0.144 -15.080 -14.296
31 H3 T 71 H3 T 71 1.512 -15.112 -9.940
32 1H5M T 71 1H5M T 71 5.790 -13.899 -11.935
33 2H5M T 71 2H5M T 71 6.056 -15.591 -11.384
34 3H5M T 71 3H5M T 71 5.909 -15.166 -13.117
35 H6 T 71 H6 T 71 3.881 -15.103 -14.099
36 1H5* C 72 1H5* C 72 -1.918 -14.030 -15.548
37 2H5* C 72 2H5* C 72 -3.248 -12.989 -16.153
38 H4* C 72 H4* C 72 -3.689 -13.100 -13.830
39 H3* C 72 H3* C 72 -3.363 -10.593 -15.147
40 H1* C 72 H1* C 72 -2.414 -11.716 -11.679
41 1H4 C 72 1H4 C 72 4.089 -11.651 -10.914
42 2H4 C 72 2H4 C 72 3.619 -12.279 -9.368
43 H5 C 72 H5 C 72 2.890 -11.518 -12.686
44 H6 C 72 H6 C 72 0.725 -11.304 -13.703
45 1H2* C 72 1H2* C 72 -1.328 -10.188 -14.141
46 2H2* C 72 2H2* C 72 -2.379 -9.637 -12.681
47 1H5* T 73 1H5* T 73 -4.385 -10.901 -10.862
48 2H5* T 73 2H5* T 73 -5.966 -10.076 -10.526
49 H4* T 73 H4* T 73 -4.823 -9.736 -8.676
50 H3* T 73 H3* T 73 -5.229 -7.435 -10.310
51 1H2* T 73 1H2* T 73 -3.043 -7.297 -10.820
52 2H2* T 73 2H2* T 73 -2.985 -6.209 -9.418
53 H1* T 73 H1* T 73 -2.623 -8.170 -7.856
54 H3 T 73 H3 T 73 1.952 -8.762 -7.496
55 1H5M T 73 1H5M T 73 2.096 -8.815 -12.363
56 2H5M T 73 2H5M T 73 0.538 -8.158 -12.800
57 3H5M T 73 3H5M T 73 1.791 -7.055 -12.310
58 H6 T 73 H6 T 73 -1.027 -7.915 -11.285
59 1H5* A 74 1H5* A 74 -3.975 -7.543 -5.837
60 2H5* A 74 2H5* A 74 -5.438 -6.800 -5.208
61 H4* A 74 H4* A 74 -4.112 -6.828 -3.469
62 H3* A 74 H3* A 74 -4.774 -4.339 -4.240
63 H1* A 74 H1* A 74 -0.948 -5.257 -3.389
64 H8 A 74 H8 A 74 -2.049 -4.860 -7.099
65 1H6 A 74 1H6 A 74 3.999 -5.659 -8.174
66 2H6 A 74 2H6 A 74 2.456 -5.156 -8.871
67 H2 A 74 H2 A 74 3.395 -6.322 -3.994
68 1H2* A 74 1H2* A 74 -2.765 -3.808 -5.342
69 2H2* A 74 2H2* A 74 -2.336 -3.298 -3.680
70 1H5* A 75 1H5* A 75 -1.598 -5.143 -1.185
71 2H5* A 75 2H5* A 75 -2.625 -4.968 0.250
72 H4* A 75 H4* A 75 -0.598 -5.185 1.201
73 H3* A 75 H3* A 75 -1.591 -2.764 1.527
74 H1* A 75 H1* A 75 2.015 -2.938 -0.331
75 H8 A 75 H8 A 75 -1.018 -1.858 -2.521
76 1H6 A 75 1H6 A 75 3.449 -2.616 -6.934
77 2H6 A 75 2H6 A 75 1.668 -2.435 -6.991
78 H2 A 75 H2 A 75 5.076 -3.486 -3.390
79 1H2* A 75 1H2* A 75 -0.813 -1.806 -0.329
80 2H2* A 75 2H2* A 75 0.699 -1.360 0.639
81 1H5* T 76 1H5* T 76 2.697 -3.923 2.829
82 2H5* T 76 2H5* T 76 3.184 -3.026 4.241
83 H4* T 76 H4* T 76 5.016 -3.610 2.715
84 H3* T 76 H3* T 76 4.821 -1.165 3.913
85 1H2* T 76 1H2* T 76 4.221 0.080 2.065
86 2H2* T 76 2H2* T 76 5.961 0.220 1.812
87 H1* T 76 H1* T 76 6.099 -1.732 0.462
88 H3 T 76 H3 T 76 5.182 0.065 -3.705
89 1H5M T 76 1H5M T 76 1.311 1.775 -1.123
90 2H5M T 76 2H5M T 76 0.619 0.929 -2.554
91 3H5M T 76 3H5M T 76 0.553 0.194 -0.971
92 H6 T 76 H6 T 76 2.670 -0.331 0.384
93 1H5* C 77 1H5* C 77 8.820 -1.841 1.261
94 2H5* C 77 2H5* C 77 10.098 -1.593 2.468
95 H4* C 77 H4* C 77 11.061 -0.874 0.340
96 H3* C 77 H3* C 77 10.947 0.662 2.549
97 H1* C 77 H1* C 77 10.070 1.745 -1.012
98 1H4 C 77 1H4 C 77 3.938 3.927 -1.474
99 2H4 C 77 2H4 C 77 4.520 3.520 -3.060
100 H5 C 77 H5 C 77 4.869 2.684 0.428
101 H6 C 77 H6 C 77 7.194 2.019 1.275
102 1H2* C 77 1H2* C 77 9.151 2.058 1.922
103 2H2* C 77 2H2* C 77 10.355 2.976 1.085
104 1H5* C 78 1H5* C 78 11.904 2.182 -1.511
105 2H5* C 78 2H5* C 78 13.618 2.164 -1.383
106 H4* C 78 H4* C 78 13.510 3.185 -3.299
107 H3* C 78 H3* C 78 14.229 5.001 -1.320
108 H1* C 78 H1* C 78 11.358 5.905 -3.792
109 1H4 C 78 1H4 C 78 6.111 5.631 0.210
110 2H4 C 78 2H4 C 78 5.798 6.555 -1.322
111 H5 C 78 H5 C 78 8.519 5.030 0.737
112 H6 C 78 H6 C 78 10.713 4.656 -0.374
113 1H2* C 78 1H2* C 78 12.130 6.104 -0.921
114 2H2* C 78 2H2* C 78 12.512 7.009 -2.345
115 1H5* C 79 1H5* C 79 13.089 7.054 -5.235
116 2H5* C 79 2H5* C 79 14.441 8.156 -5.739
117 H4* C 79 H4* C 79 12.311 8.988 -6.439
118 H3* C 79 H3* C 79 14.031 10.504 -4.632
119 H1* C 79 H1* C 79 10.231 10.316 -5.192
120 1H4 C 79 1H4 C 79 7.143 8.260 0.286
121 2H4 C 79 2H4 C 79 6.116 9.014 -0.959
122 H5 C 79 H5 C 79 9.689 8.234 -0.174
123 H6 C 79 H6 C 79 11.218 8.575 -2.032
124 1H2* C 79 1H2* C 79 12.137 10.354 -2.907
125 2H2* C 79 2H2* C 79 11.492 11.785 -3.898
126 1H5* C 80 1H5* C 80 10.430 12.270 -7.385
127 2H5* C 80 2H5* C 80 11.278 13.630 -8.114
128 H4* C 80 H4* C 80 8.920 13.995 -8.027
129 H3* C 80 H3* C 80 10.732 15.802 -7.012
130 H1* C 80 H1* C 80 7.505 14.800 -5.321
131 1H4 C 80 1H4 C 80 9.396 11.830 0.249
132 2H4 C 80 2H4 C 80 7.639 11.956 0.223
133 H5 C 80 H5 C 80 10.753 12.518 -1.635
134 H6 C 80 H6 C 80 10.647 13.825 -3.747
135 1H2* C 80 1H2* C 80 10.319 15.553 -4.730
136 2H2* C 80 2H2* C 80 8.799 16.418 -5.018
137 1H5* G 81 1H5* G 81 6.145 17.565 -7.216
138 2H5* G 81 2H5* G 81 6.538 19.327 -7.552
139 H4* G 81 H4* G 81 4.999 18.953 -5.869
140 H3* G 81 H3* G 81 7.204 20.772 -5.489
141 H1* G 81 H1* G 81 5.781 18.611 -2.939
142 H8 G 81 H8 G 81 9.324 17.554 -3.035
143 H1 G 81 H1 G 81 6.080 14.568 1.550
144 1H2 G 81 1H2 G 81 3.415 16.275 -0.071
145 2H2 G 81 2H2 G 81 3.732 15.278 1.265
146 H3T G 81 H3T G 81 5.371 21.496 -4.734
147 1H2* G 81 1H2* G 81 8.514 19.003 -4.186
148 2H2* G 81 2H2* G 81 7.832 19.972 -2.973
149 1H5* C 82 1H5* C 82 2.446 13.846 9.285
150 2H5* C 82 2H5* C 82 1.055 12.720 9.424
151 H4* C 82 H4* C 82 0.825 14.101 7.356
152 H3* C 82 H3* C 82 0.438 11.258 7.282
153 H1* C 82 H1* C 82 1.991 13.810 4.870
154 1H4 C 82 1H4 C 82 8.238 12.764 3.946
155 2H4 C 82 2H4 C 82 7.863 13.908 2.706
156 H5 C 82 H5 C 82 6.771 11.419 5.054
157 H6 C 82 H6 C 82 4.382 11.259 5.840
158 H5T C 82 H5T C 82 3.597 12.029 8.696
159 1H2* C 82 1H2* C 82 2.258 10.906 5.728
160 2H2* C 82 2H2* C 82 1.138 11.703 4.601
161 1H5* G 83 1H5* G 83 -2.463 13.495 3.710
162 2H5* G 83 2H5* G 83 -3.376 12.082 3.334
163 H4* G 83 H4* G 83 -2.790 13.416 1.403
164 H3* G 83 H3* G 83 -3.235 10.693 1.491
165 H1* G 83 H1* G 83 -0.133 11.825 -0.059
166 H8 G 83 H8 G 83 1.168 10.256 3.069
167 H1 G 83 H1 G 83 5.576 12.842 -0.774
168 1H2 G 83 1H2 G 83 2.812 13.465 -2.732
169 2H2 G 83 2H2 G 83 4.524 13.277 -2.766
170 1H2* G 83 1H2* G 83 -1.076 10.324 2.301
171 2H2* G 83 2H2* G 83 -0.964 9.781 0.565
172 1H5* G 84 1H5* G 84 -2.983 12.643 -3.055
173 2H5* G 84 2H5* G 84 -4.206 11.792 -3.777
174 H4* G 84 H4* G 84 -2.578 12.316 -5.473
175 H3* G 84 H3* G 84 -3.459 9.785 -5.513
176 H1* G 84 H1* G 84 0.508 10.457 -5.513
177 H8 G 84 H8 G 84 -0.870 9.385 -2.066
178 H1 G 84 H1 G 84 5.484 9.691 -2.658
179 1H2 G 84 1H2 G 84 4.837 11.191 -5.615
180 2H2 G 84 2H2 G 84 6.008 10.446 -4.482
181 1H2* G 84 1H2* G 84 -1.552 8.676 -4.132
182 2H2* G 84 2H2* G 84 -0.830 8.606 -5.673
183 1H5* G 85 1H5* G 85 0.008 10.787 -8.429
184 2H5* G 85 2H5* G 85 -0.724 10.005 -9.830
185 H4* G 85 H4* G 85 1.585 10.136 -10.188
186 H3* G 85 H3* G 85 0.357 7.817 -10.677
187 H1* G 85 H1* G 85 3.507 7.828 -8.862
188 H8 G 85 H8 G 85 0.707 7.290 -6.308
189 H1 G 85 H1 G 85 6.549 6.839 -3.747
190 1H2 G 85 1H2 G 85 7.562 7.874 -6.893
191 2H2 G 85 2H2 G 85 8.032 7.440 -5.282
192 1H2* G 85 1H2* G 85 0.701 6.992 -8.480
193 2H2* G 85 2H2* G 85 2.130 6.137 -9.264
194 1H5* G 86 1H5* G 86 5.380 7.996 -11.802
195 2H5* G 86 2H5* G 86 5.277 7.220 -13.404
196 H4* G 86 H4* G 86 7.328 6.910 -12.154
197 H3* G 86 H3* G 86 6.096 4.701 -13.340
198 H1* G 86 H1* G 86 7.406 4.590 -9.633
199 H8 G 86 H8 G 86 3.724 4.550 -9.956
200 H1 G 86 H1 G 86 6.046 3.261 -4.178
201 1H2 G 86 1H2 G 86 9.107 3.972 -5.834
202 2H2 G 86 2H2 G 86 8.256 3.625 -4.276
203 1H2* G 86 1H2* G 86 5.037 3.967 -11.471
204 2H2* G 86 2H2* G 86 6.642 3.023 -11.240
205 1H5* A 87 1H5* A 87 10.118 4.220 -10.633
206 2H5* A 87 2H5* A 87 11.233 3.664 -11.949
207 H4* A 87 H4* A 87 12.143 2.664 -9.954
208 H3* A 87 H3* A 87 11.446 0.831 -11.903
209 H1* A 87 H1* A 87 10.364 0.271 -8.260
210 H8 A 87 H8 A 87 7.636 1.076 -10.545
211 1H6 A 87 1H6 A 87 3.842 0.906 -5.546
212 2H6 A 87 2H6 A 87 3.756 0.869 -7.298
213 H2 A 87 H2 A 87 7.859 0.303 -4.217
214 1H2* A 87 1H2* A 87 9.323 0.212 -11.032
215 2H2* A 87 2H2* A 87 10.348 -0.888 -10.260
216 1H5* T 88 1H5* T 88 12.221 0.130 -7.518
217 2H5* T 88 2H5* T 88 13.669 -0.891 -7.273
218 H4* T 88 H4* T 88 12.357 -1.358 -5.419
219 H3* T 88 H3* T 88 13.030 -3.340 -7.352
220 1H2* T 88 1H2* T 88 11.003 -3.705 -7.995
221 2H2* T 88 2H2* T 88 10.804 -4.775 -6.648
222 H1* T 88 H1* T 88 9.963 -3.071 -5.157
223 H3 T 88 H3 T 88 5.476 -3.141 -5.846
224 1H5M T 88 1H5M T 88 6.073 -1.407 -9.982
225 2H5M T 88 2H5M T 88 7.709 -1.806 -10.581
226 3H5M T 88 3H5M T 88 6.438 -3.063 -10.499
227 H6 T 88 H6 T 88 9.303 -2.316 -8.738
228 1H5* T 89 1H5* T 89 11.760 -4.132 -2.919
229 2H5* T 89 2H5* T 89 12.920 -5.226 -2.143
230 H4* T 89 H4* T 89 10.661 -5.523 -1.062
231 H3* T 89 H3* T 89 11.980 -7.820 -2.393
232 1H2* T 89 1H2* T 89 10.471 -7.964 -3.989
233 2H2* T 89 2H2* T 89 9.434 -8.818 -2.875
234 H1* T 89 H1* T 89 8.213 -6.815 -2.111
235 H3 T 89 H3 T 89 5.071 -6.212 -5.579
236 1H5M T 89 1H5M T 89 8.617 -6.948 -8.682
237 2H5M T 89 2H5M T 89 8.517 -5.196 -8.520
238 3H5M T 89 3H5M T 89 9.931 -6.131 -7.810
239 H6 T 89 H6 T 89 9.843 -6.433 -5.527
240 1H5* A 90 1H5* A 90 8.492 -8.379 0.251
241 2H5* A 90 2H5* A 90 8.796 -9.799 1.426
242 H4* A 90 H4* A 90 6.459 -9.732 0.904
243 H3* A 90 H3* A 90 7.614 -11.990 0.630
244 H1* A 90 H1* A 90 5.088 -10.478 -1.567
245 H8 A 90 H8 A 90 8.230 -10.416 -3.716
246 1H6 A 90 1H6 A 90 3.939 -9.937 -8.209
247 2H6 A 90 2H6 A 90 5.735 -10.102 -7.958
248 H2 A 90 H2 A 90 2.037 -9.254 -4.586
249 1H2* A 90 1H2* A 90 7.967 -11.499 -1.687
250 2H2* A 90 2H2* A 90 6.480 -12.522 -1.877
251 1H5* G 91 1H5* G 91 2.750 -11.238 0.335
252 2H5* G 91 2H5* G 91 2.166 -12.262 1.683
253 H4* G 91 H4* G 91 0.365 -11.720 0.604
254 H3* G 91 H3* G 91 0.862 -14.360 0.747
255 H1* G 91 H1* G 91 -0.192 -12.872 -2.559
256 H8 G 91 H8 G 91 3.757 -13.237 -2.402
257 H1 G 91 H1 G 91 1.186 -12.442 -8.173
258 1H2 G 91 1H2 G 91 -1.747 -11.477 -6.587
259 2H2 G 91 2H2 G 91 -0.823 -11.743 -8.048
260 1H2* G 91 1H2* G 91 1.900 -14.692 -1.423
261 2H2* G 91 2H2* G 91 0.195 -14.990 -1.793
262 1H5* A 92 1H5* A 92 -2.551 -12.697 -2.071
263 2H5* A 92 2H5* A 92 -3.982 -13.070 -1.259
264 H4* A 92 H4* A 92 -4.884 -12.820 -3.246
265 H3* A 92 H3* A 92 -5.174 -15.256 -2.215
266 H1* A 92 H1* A 92 -3.670 -15.081 -5.888
267 H8 A 92 H8 A 92 -1.355 -15.912 -3.164
268 1H6 A 92 1H6 A 92 2.971 -15.739 -7.888
269 2H6 A 92 2H6 A 92 2.858 -15.917 -6.127
270 H2 A 92 H2 A 92 -0.782 -14.793 -9.413
271 1H2* A 92 1H2* A 92 -3.401 -16.547 -3.279
272 2H2* A 92 2H2* A 92 -4.493 -16.660 -4.649
273 1H5* G 93 1H5* G 93 -6.383 -14.242 -6.621
274 2H5* G 93 2H5* G 93 -8.038 -14.819 -6.870
275 H4* G 93 H4* G 93 -7.065 -15.014 -8.913
276 H3* G 93 H3* G 93 -8.237 -17.290 -7.913
277 H1* G 93 H1* G 93 -4.835 -17.366 -9.721
278 H8 G 93 H8 G 93 -4.336 -18.280 -6.133
279 H1 G 93 H1 G 93 0.951 -18.519 -9.908
280 1H2 G 93 1H2 G 93 -1.368 -17.502 -12.194
281 2H2 G 93 2H2 G 93 0.289 -17.963 -11.881
282 1H2* G 93 1H2* G 93 -6.292 -18.166 -7.158
283 2H2* G 93 2H2* G 93 -6.445 -18.987 -8.741
284 1H5* C 94 1H5* C 94 -6.156 -17.628 -12.509
285 2H5* C 94 2H5* C 94 -7.403 -18.555 -13.413
286 H4* C 94 H4* C 94 -5.360 -19.397 -13.968
287 H3* C 94 H3* C 94 -7.481 -20.983 -13.024
288 H1* C 94 H1* C 94 -3.853 -21.652 -12.519
289 1H4 C 94 1H4 C 94 -2.119 -22.255 -6.194
290 2H4 C 94 2H4 C 94 -0.694 -22.096 -7.167
291 H5 C 94 H5 C 94 -4.423 -21.427 -7.131
292 H6 C 94 H6 C 94 -5.480 -20.910 -9.232
293 H3T C 94 H3T C 94 -6.948 -21.725 -14.738
294 1H2* C 94 1H2* C 94 -6.537 -21.532 -10.996
295 2H2* C 94 2H2* C 94 -5.893 -22.894 -11.943
296 1H GLY 1 1H GLY 1 6.039 -14.162 5.150
297 2H GLY 1 2H GLY 1 6.851 -13.365 4.067
298 3H GLY 1 3H GLY 1 5.157 -13.370 4.000
299 1HA GLY 1 1HA GLY 1 6.624 -12.221 6.300
300 2HA GLY 1 2HA GLY 1 5.947 -11.258 4.925
301 HA PRO 2 HA PRO 2 2.571 -13.599 7.991
302 1HB PRO 2 1HB PRO 2 3.714 -11.693 9.960
303 2HB PRO 2 2HB PRO 2 2.819 -13.344 10.192
304 1HG PRO 2 1HG PRO 2 5.547 -12.697 10.377
305 2HG PRO 2 2HG PRO 2 4.906 -14.320 9.914
306 1HD PRO 2 1HD PRO 2 6.193 -12.309 8.256
307 2HD PRO 2 2HD PRO 2 5.728 -14.007 7.805
308 H ARG 3 H ARG 3 3.553 -10.221 7.562
309 HA ARG 3 HA ARG 3 0.696 -9.317 7.415
310 1HB ARG 3 1HB ARG 3 1.271 -9.051 9.529
311 2HB ARG 3 2HB ARG 3 2.814 -8.143 8.893
312 1HG ARG 3 1HG ARG 3 0.679 -6.718 7.862
313 2HG ARG 3 2HG ARG 3 0.182 -7.087 9.625
314 1HD ARG 3 1HD ARG 3 2.190 -6.266 10.353
315 2HD ARG 3 2HD ARG 3 2.867 -5.980 8.767
316 HE ARG 3 HE ARG 3 1.186 -4.077 10.197
317 1HH1 ARG 3 2HH1 ARG 3 1.888 -5.317 6.954
318 2HH1 ARG 3 1HH1 ARG 3 1.334 -3.876 6.161
319 1HH2 ARG 3 2HH2 ARG 3 0.364 -2.120 8.692
320 2HH2 ARG 3 1HH2 ARG 3 0.635 -2.441 7.007
321 H ARG 4 H ARG 4 2.378 -9.887 5.000
322 HA ARG 4 HA ARG 4 3.426 -7.462 3.955
323 1HB ARG 4 1HB ARG 4 3.841 -9.950 3.317
324 2HB ARG 4 2HB ARG 4 2.239 -9.988 2.893
325 1HG ARG 4 1HG ARG 4 3.799 -9.753 0.896
326 2HG ARG 4 2HG ARG 4 2.652 -8.391 1.015
327 1HD ARG 4 1HD ARG 4 4.455 -7.133 2.417
328 2HD ARG 4 2HD ARG 4 5.453 -8.421 1.842
329 HE ARG 4 HE ARG 4 5.637 -7.701 -0.118
330 1HH1 ARG 4 2HH1 ARG 4 2.996 -5.838 1.478
331 2HH1 ARG 4 1HH1 ARG 4 3.135 -4.533 0.380
332 1HH2 ARG 4 2HH2 ARG 4 5.391 -5.948 -1.662
333 2HH2 ARG 4 1HH2 ARG 4 4.336 -4.609 -1.401
334 H THR 5 H THR 5 0.245 -8.571 4.571
335 HA THR 5 HA THR 5 -1.025 -6.232 3.129
336 HB THR 5 HB THR 5 -0.678 -7.750 1.466
337 HG1 THR 5 HG1 THR 5 -2.636 -7.243 0.723
338 1HG2 THR 5 1HG2 THR 5 -2.014 -9.690 1.140
339 2HG2 THR 5 2HG2 THR 5 -2.194 -9.737 2.962
340 3HG2 THR 5 3HG2 THR 5 -0.589 -9.857 2.147
341 H ARG 6 H ARG 6 -3.275 -6.230 3.541
342 HA ARG 6 HA ARG 6 -4.200 -7.271 6.065
343 1HB ARG 6 1HB ARG 6 -4.597 -4.260 5.463
344 2HB ARG 6 2HB ARG 6 -4.401 -5.066 6.949
345 1HG ARG 6 1HG ARG 6 -1.973 -5.306 6.806
346 2HG ARG 6 2HG ARG 6 -1.948 -4.435 5.247
347 1HD ARG 6 1HD ARG 6 -1.439 -2.866 6.774
348 2HD ARG 6 2HD ARG 6 -3.202 -2.607 6.492
349 HE ARG 6 HE ARG 6 -2.873 -4.180 8.777
350 1HH1 ARG 6 2HH1 ARG 6 -2.064 -0.803 7.930
351 2HH1 ARG 6 1HH1 ARG 6 -2.529 -0.390 9.547
352 1HH2 ARG 6 2HH2 ARG 6 -3.745 -3.403 10.579
353 2HH2 ARG 6 1HH2 ARG 6 -3.459 -1.667 10.873
354 H THR 7 H THR 7 -5.160 -5.680 3.192
355 HA THR 7 HA THR 7 -7.994 -6.376 3.769
356 HB THR 7 HB THR 7 -6.838 -3.832 2.737
357 HG1 THR 7 HG1 THR 7 -8.579 -4.345 4.886
358 1HG2 THR 7 1HG2 THR 7 -9.855 -4.393 3.087
359 2HG2 THR 7 2HG2 THR 7 -9.089 -4.220 1.538
360 3HG2 THR 7 3HG2 THR 7 -9.007 -2.897 2.727
361 H THR 8 H THR 8 -9.055 -7.400 2.368
362 HA THR 8 HA THR 8 -8.738 -6.801 -0.577
363 HB THR 8 HB THR 8 -10.405 -9.107 0.609
364 HG1 THR 8 HG1 THR 8 -7.954 -9.520 -0.754
365 1HG2 THR 8 1HG2 THR 8 -10.117 -9.820 -1.866
366 2HG2 THR 8 2HG2 THR 8 -9.539 -8.154 -2.149
367 3HG2 THR 8 3HG2 THR 8 -11.098 -8.349 -1.493
368 H PHE 9 H PHE 9 -9.823 -4.986 -0.903
369 HA PHE 9 HA PHE 9 -12.078 -3.996 0.642
370 1HB PHE 9 1HB PHE 9 -11.492 -3.403 -2.399
371 2HB PHE 9 2HB PHE 9 -12.339 -2.431 -1.235
372 HD1 PHE 9 HD1 PHE 9 -9.297 -2.911 -2.963
373 HD2 PHE 9 HD2 PHE 9 -10.994 -1.593 0.804
374 HE1 PHE 9 HE1 PHE 9 -7.100 -2.083 -2.330
375 HE2 PHE 9 HE2 PHE 9 -8.753 -0.673 1.460
376 HZ PHE 9 HZ PHE 9 -6.717 -1.181 -0.055
377 H THR 10 H THR 10 -14.167 -4.109 0.286
378 HA THR 10 HA THR 10 -15.427 -6.145 -1.450
379 HB THR 10 HB THR 10 -17.243 -6.381 0.095
380 HG1 THR 10 HG1 THR 10 -16.989 -5.320 2.082
381 1HG2 THR 10 1HG2 THR 10 -14.931 -7.665 0.370
382 2HG2 THR 10 2HG2 THR 10 -16.125 -7.632 1.681
383 3HG2 THR 10 3HG2 THR 10 -14.678 -6.536 1.595
384 H SER 11 H SER 11 -17.722 -5.575 -2.098
385 HA SER 11 HA SER 11 -17.472 -3.315 -3.771
386 1HB SER 11 1HB SER 11 -20.116 -4.712 -3.148
387 2HB SER 11 2HB SER 11 -19.744 -3.914 -4.683
388 HG SER 11 HG SER 11 -19.712 -6.042 -4.824
389 H SER 12 H SER 12 -19.202 -3.841 -0.662
390 HA SER 12 HA SER 12 -20.502 -1.205 -0.647
391 1HB SER 12 1HB SER 12 -19.783 -3.273 1.352
392 2HB SER 12 2HB SER 12 -20.576 -1.878 1.936
393 HG SER 12 HG SER 12 -22.413 -2.695 1.315
394 H GLN 13 H GLN 13 -17.300 -2.509 0.514
395 HA GLN 13 HA GLN 13 -16.595 0.030 1.757
396 1HB GLN 13 1HB GLN 13 -14.836 -2.087 0.553
397 2HB GLN 13 2HB GLN 13 -14.455 -0.549 1.522
398 1HG GLN 13 1HG GLN 13 -15.934 -1.386 3.402
399 2HG GLN 13 2HG GLN 13 -16.365 -2.754 2.416
400 1HE2 GLN 13 1HE2 GLN 13 -14.632 -1.863 5.174
401 2HE2 GLN 13 2HE2 GLN 13 -13.406 -3.057 4.882
402 H ILE 14 H ILE 14 -16.047 -1.052 -1.712
403 HA ILE 14 HA ILE 14 -15.058 1.645 -2.587
404 HB ILE 14 HB ILE 14 -16.425 -0.570 -4.159
405 1HG1 ILE 14 1HG1 ILE 14 -13.398 -0.074 -3.970
406 2HG1 ILE 14 2HG1 ILE 14 -14.130 -1.176 -2.822
407 1HG2 ILE 14 1HG2 ILE 14 -14.766 1.929 -5.117
408 2HG2 ILE 14 2HG2 ILE 14 -15.242 0.474 -5.947
409 3HG2 ILE 14 3HG2 ILE 14 -16.535 1.523 -5.281
410 1HD1 ILE 14 1HD1 ILE 14 -14.250 -1.517 -5.792
411 2HD1 ILE 14 2HD1 ILE 14 -13.342 -2.535 -4.677
412 3HD1 ILE 14 3HD1 ILE 14 -15.129 -2.539 -4.489
413 H ALA 15 H ALA 15 -18.369 0.450 -2.034
414 HA ALA 15 HA ALA 15 -19.494 2.625 -3.556
415 1HB ALA 15 1HB ALA 15 -20.964 1.447 -1.194
416 2HB ALA 15 2HB ALA 15 -21.651 1.907 -2.596
417 3HB ALA 15 3HB ALA 15 -20.685 0.367 -2.670
418 H GLU 16 H GLU 16 -18.883 2.283 0.022
419 HA GLU 16 HA GLU 16 -19.637 4.850 1.041
420 1HB GLU 16 1HB GLU 16 -17.826 2.713 1.711
421 2HB GLU 16 2HB GLU 16 -17.651 4.266 2.626
422 1HG GLU 16 1HG GLU 16 -19.159 1.936 2.945
423 2HG GLU 16 2HG GLU 16 -18.543 3.162 4.101
424 H LEU 17 H LEU 17 -16.592 3.509 0.011
425 HA LEU 17 HA LEU 17 -14.965 5.831 0.412
426 1HB LEU 17 1HB LEU 17 -14.768 3.424 -1.351
427 2HB LEU 17 2HB LEU 17 -13.559 4.643 -1.507
428 HG LEU 17 HG LEU 17 -14.351 3.198 1.041
429 1HD1 LEU 17 1HD1 LEU 17 -12.253 2.164 1.195
430 2HD1 LEU 17 2HD1 LEU 17 -11.800 2.708 -0.422
431 3HD1 LEU 17 3HD1 LEU 17 -13.097 1.500 -0.282
432 1HD2 LEU 17 1HD2 LEU 17 -12.715 5.532 0.573
433 2HD2 LEU 17 2HD2 LEU 17 -11.548 4.359 0.892
434 3HD2 LEU 17 3HD2 LEU 17 -12.913 4.493 2.121
435 H GLU 18 H GLU 18 -16.878 4.775 -2.437
436 HA GLU 18 HA GLU 18 -15.969 6.944 -4.137
437 1HB GLU 18 1HB GLU 18 -18.204 5.032 -4.204
438 2HB GLU 18 2HB GLU 18 -18.265 6.343 -5.371
439 1HG GLU 18 1HG GLU 18 -16.017 4.166 -5.290
440 2HG GLU 18 2HG GLU 18 -17.424 4.272 -6.357
441 H GLN 19 H GLN 19 -18.752 6.611 -2.217
442 HA GLN 19 HA GLN 19 -20.081 8.969 -2.875
443 1HB GLN 19 1HB GLN 19 -20.436 6.777 -1.231
444 2HB GLN 19 2HB GLN 19 -20.270 7.859 0.011
445 1HG GLN 19 1HG GLN 19 -22.305 7.850 -2.134
446 2HG GLN 19 2HG GLN 19 -22.676 7.964 -0.391
447 1HE2 GLN 19 1HE2 GLN 19 -23.309 9.945 -2.926
448 2HE2 GLN 19 2HE2 GLN 19 -22.725 11.469 -2.338
449 H HIS 20 H HIS 20 -17.669 8.311 -0.240
450 HA HIS 20 HA HIS 20 -18.070 11.043 0.949
451 1HB HIS 20 1HB HIS 20 -16.364 8.832 1.476
452 2HB HIS 20 2HB HIS 20 -16.331 10.576 2.283
453 HD1 HIS 20 HD1 HIS 20 -18.780 11.292 3.567
454 HD2 HIS 20 HD2 HIS 20 -18.273 7.150 2.524
455 HE1 HIS 20 HE1 HIS 20 -20.544 9.916 4.808
456 H PHE 21 H PHE 21 -15.647 9.281 -1.162
457 HA PHE 21 HA PHE 21 -13.942 11.372 -1.765
458 1HB PHE 21 1HB PHE 21 -13.276 9.411 -2.647
459 2HB PHE 21 2HB PHE 21 -14.890 8.984 -3.231
460 HD1 PHE 21 HD1 PHE 21 -15.745 9.762 -5.280
461 HD2 PHE 21 HD2 PHE 21 -11.787 10.927 -4.063
462 HE1 PHE 21 HE1 PHE 21 -15.300 10.627 -7.547
463 HE2 PHE 21 HE2 PHE 21 -11.161 11.497 -6.361
464 HZ PHE 21 HZ PHE 21 -12.899 11.448 -8.089
465 H LEU 22 H LEU 22 -17.166 10.822 -3.039
466 HA LEU 22 HA LEU 22 -17.168 13.132 -4.807
467 1HB LEU 22 1HB LEU 22 -19.662 12.208 -3.333
468 2HB LEU 22 2HB LEU 22 -19.556 13.223 -4.729
469 HG LEU 22 HG LEU 22 -18.771 10.186 -4.761
470 1HD1 LEU 22 1HD1 LEU 22 -21.134 10.390 -4.766
471 2HD1 LEU 22 2HD1 LEU 22 -20.599 10.056 -6.455
472 3HD1 LEU 22 3HD1 LEU 22 -21.123 11.673 -6.035
473 1HD2 LEU 22 1HD2 LEU 22 -18.522 12.225 -6.978
474 2HD2 LEU 22 2HD2 LEU 22 -18.592 10.459 -7.213
475 3HD2 LEU 22 3HD2 LEU 22 -17.328 11.072 -6.170
476 H GLN 23 H GLN 23 -17.619 13.132 -1.298
477 HA GLN 23 HA GLN 23 -18.175 15.856 -1.132
478 1HB GLN 23 1HB GLN 23 -16.929 14.303 1.022
479 2HB GLN 23 2HB GLN 23 -18.075 15.715 0.926
480 1HG GLN 23 1HG GLN 23 -18.927 12.820 0.685
481 2HG GLN 23 2HG GLN 23 -19.449 13.938 1.818
482 1HE2 GLN 23 1HE2 GLN 23 -20.591 12.382 -0.961
483 2HE2 GLN 23 2HE2 GLN 23 -21.438 13.683 -1.649
484 H GLY 24 H GLY 24 -15.200 14.035 -1.452
485 1HA GLY 24 1HA GLY 24 -13.518 16.337 -1.242
486 2HA GLY 24 2HA GLY 24 -13.151 15.270 0.065
487 H ARG 25 H ARG 25 -12.524 15.835 -3.299
488 HA ARG 25 HA ARG 25 -12.197 13.280 -4.442
489 1HB ARG 25 1HB ARG 25 -10.583 15.722 -4.954
490 2HB ARG 25 2HB ARG 25 -10.668 14.398 -6.129
491 1HG ARG 25 1HG ARG 25 -12.952 16.296 -5.775
492 2HG ARG 25 2HG ARG 25 -12.075 15.989 -7.134
493 1HD ARG 25 1HD ARG 25 -12.690 13.722 -7.445
494 2HD ARG 25 2HD ARG 25 -13.508 13.744 -5.801
495 HE ARG 25 HE ARG 25 -14.664 14.911 -8.370
496 1HH1 ARG 25 2HH1 ARG 25 -14.941 14.761 -4.874
497 2HH1 ARG 25 1HH1 ARG 25 -16.483 15.559 -4.942
498 1HH2 ARG 25 2HH2 ARG 25 -16.639 15.797 -8.312
499 2HH2 ARG 25 1HH2 ARG 25 -17.541 15.798 -6.852
500 H TYR 26 H TYR 26 -9.846 14.911 -2.408
501 HA TYR 26 HA TYR 26 -8.072 12.497 -2.628
502 1HB TYR 26 1HB TYR 26 -7.261 15.368 -2.243
503 2HB TYR 26 2HB TYR 26 -6.287 13.800 -2.498
504 HD1 TYR 26 HD1 TYR 26 -5.889 13.174 -4.800
505 HD2 TYR 26 HD2 TYR 26 -8.477 16.496 -3.908
506 HE1 TYR 26 HE1 TYR 26 -5.610 14.156 -7.063
507 HE2 TYR 26 HE2 TYR 26 -8.170 17.379 -6.143
508 HH TYR 26 HH TYR 26 -7.242 16.944 -8.315
509 H LEU 27 H LEU 27 -6.829 12.012 -0.779
510 HA LEU 27 HA LEU 27 -8.558 12.442 1.578
511 1HB LEU 27 1HB LEU 27 -6.044 10.848 1.068
512 2HB LEU 27 2HB LEU 27 -6.709 10.924 2.695
513 HG LEU 27 HG LEU 27 -8.046 9.756 0.247
514 1HD1 LEU 27 1HD1 LEU 27 -7.999 7.737 1.395
515 2HD1 LEU 27 2HD1 LEU 27 -7.487 8.368 2.833
516 3HD1 LEU 27 3HD1 LEU 27 -6.297 8.454 1.409
517 1HD2 LEU 27 1HD2 LEU 27 -10.033 9.182 1.793
518 2HD2 LEU 27 2HD2 LEU 27 -9.831 10.804 1.322
519 3HD2 LEU 27 3HD2 LEU 27 -9.254 10.249 2.958
520 H THR 28 H THR 28 -8.324 13.494 3.284
521 HA THR 28 HA THR 28 -5.753 14.775 4.014
522 HB THR 28 HB THR 28 -7.184 16.374 5.381
523 HG1 THR 28 HG1 THR 28 -9.590 16.142 5.164
524 1HG2 THR 28 1HG2 THR 28 -6.832 17.093 3.185
525 2HG2 THR 28 2HG2 THR 28 -8.510 17.492 3.499
526 3HG2 THR 28 3HG2 THR 28 -8.019 16.072 2.513
527 H ALA 29 H ALA 29 -5.468 14.635 6.403
528 HA ALA 29 HA ALA 29 -5.802 12.130 7.543
529 1HB ALA 29 1HB ALA 29 -5.401 14.867 8.887
530 2HB ALA 29 2HB ALA 29 -5.348 13.374 9.681
531 3HB ALA 29 3HB ALA 29 -4.136 13.613 8.436
532 HA PRO 30 HA PRO 30 -9.864 13.313 9.738
533 1HB PRO 30 1HB PRO 30 -11.239 15.229 7.989
534 2HB PRO 30 2HB PRO 30 -10.845 15.317 9.751
535 1HG PRO 30 1HG PRO 30 -9.559 16.921 7.742
536 2HG PRO 30 2HG PRO 30 -9.315 17.016 9.400
537 1HD PRO 30 1HD PRO 30 -7.664 15.712 7.416
538 2HD PRO 30 2HD PRO 30 -7.479 15.760 9.272
539 H ARG 31 H ARG 31 -9.823 13.965 6.111
540 HA ARG 31 HA ARG 31 -12.212 12.458 5.433
541 1HB ARG 31 1HB ARG 31 -9.703 12.722 3.744
542 2HB ARG 31 2HB ARG 31 -11.175 12.011 3.188
543 1HG ARG 31 1HG ARG 31 -10.601 14.856 3.712
544 2HG ARG 31 2HG ARG 31 -11.059 13.945 2.239
545 1HD ARG 31 1HD ARG 31 -13.330 13.526 3.556
546 2HD ARG 31 2HD ARG 31 -12.752 14.443 4.803
547 HE ARG 31 HE ARG 31 -12.432 16.279 2.845
548 1HH1 ARG 31 2HH2 ARG 31 -15.073 14.140 3.651
549 2HH1 ARG 31 1HH2 ARG 31 -16.278 15.191 3.056
550 1HH2 ARG 31 2HH1 ARG 31 -14.034 17.678 2.298
551 2HH2 ARG 31 1HH1 ARG 31 -15.785 17.133 2.269
552 H LEU 32 H LEU 32 -8.985 11.154 5.073
553 HA LEU 32 HA LEU 32 -9.297 8.634 4.855
554 1HB LEU 32 1HB LEU 32 -7.376 10.053 4.519
555 2HB LEU 32 2HB LEU 32 -7.396 10.339 6.268
556 HG LEU 32 HG LEU 32 -6.293 7.871 4.869
557 1HD1 LEU 32 1HD1 LEU 32 -4.955 10.235 5.128
558 2HD1 LEU 32 2HD1 LEU 32 -4.260 8.899 6.143
559 3HD1 LEU 32 3HD1 LEU 32 -5.358 10.142 6.754
560 1HD2 LEU 32 1HD2 LEU 32 -7.287 7.196 6.985
561 2HD2 LEU 32 2HD2 LEU 32 -6.473 8.593 7.758
562 3HD2 LEU 32 3HD2 LEU 32 -5.501 7.217 6.965
563 H ALA 33 H ALA 33 -9.093 10.392 8.131
564 HA ALA 33 HA ALA 33 -9.275 7.983 9.861
565 1HB ALA 33 1HB ALA 33 -8.167 10.127 10.618
566 2HB ALA 33 2HB ALA 33 -9.957 10.776 10.566
567 3HB ALA 33 3HB ALA 33 -9.424 9.636 11.658
568 H ASP 34 H ASP 34 -11.578 10.125 8.685
569 HA ASP 34 HA ASP 34 -13.823 9.087 10.264
570 1HB ASP 34 1HB ASP 34 -13.685 11.429 9.423
571 2HB ASP 34 2HB ASP 34 -13.609 10.769 7.846
572 H LEU 35 H LEU 35 -12.655 8.776 6.761
573 HA LEU 35 HA LEU 35 -14.838 6.960 5.970
574 1HB LEU 35 1HB LEU 35 -12.668 8.183 4.662
575 2HB LEU 35 2HB LEU 35 -12.382 6.497 4.526
576 HG LEU 35 HG LEU 35 -13.953 6.163 2.953
577 1HD1 LEU 35 1HD1 LEU 35 -16.101 6.486 4.337
578 2HD1 LEU 35 2HD1 LEU 35 -16.103 7.040 2.693
579 3HD1 LEU 35 3HD1 LEU 35 -15.992 8.239 4.022
580 1HD2 LEU 35 1HD2 LEU 35 -14.160 8.066 1.468
581 2HD2 LEU 35 2HD2 LEU 35 -12.659 7.933 2.040
582 3HD2 LEU 35 3HD2 LEU 35 -13.747 9.130 2.846
583 H SER 36 H SER 36 -11.509 6.397 7.127
584 HA SER 36 HA SER 36 -11.467 3.606 7.330
585 1HB SER 36 1HB SER 36 -9.384 4.720 7.621
586 2HB SER 36 2HB SER 36 -10.102 5.801 8.817
587 HG SER 36 HG SER 36 -9.597 3.006 9.124
588 H ALA 37 H ALA 37 -12.693 5.928 9.793
589 HA ALA 37 HA ALA 37 -13.648 3.952 11.596
590 1HB ALA 37 1HB ALA 37 -13.557 6.391 12.381
591 2HB ALA 37 2HB ALA 37 -14.631 6.806 11.130
592 3HB ALA 37 3HB ALA 37 -15.192 5.807 12.504
593 H LYS 38 H LYS 38 -15.360 5.488 8.692
594 HA LYS 38 HA LYS 38 -18.011 4.315 9.208
595 1HB LYS 38 1HB LYS 38 -16.667 5.909 6.943
596 2HB LYS 38 2HB LYS 38 -18.106 5.033 6.572
597 1HG LYS 38 1HG LYS 38 -19.345 6.170 8.417
598 2HG LYS 38 2HG LYS 38 -17.820 6.986 8.829
599 1HD LYS 38 1HD LYS 38 -18.591 7.402 5.943
600 2HD LYS 38 2HD LYS 38 -19.932 7.814 6.982
601 1HE LYS 38 1HE LYS 38 -17.121 8.899 7.409
602 2HE LYS 38 2HE LYS 38 -18.303 9.829 6.535
603 1HZ LYS 38 1HZ LYS 38 -19.764 9.916 8.471
604 2HZ LYS 38 2HZ LYS 38 -18.192 10.433 8.789
605 3HZ LYS 38 3HZ LYS 38 -18.695 8.910 9.184
606 H LEU 39 H LEU 39 -15.551 3.721 6.733
607 HA LEU 39 HA LEU 39 -16.575 1.414 5.487
608 1HB LEU 39 1HB LEU 39 -13.729 2.552 5.661
609 2HB LEU 39 2HB LEU 39 -13.959 1.139 4.699
610 HG LEU 39 HG LEU 39 -13.988 3.027 3.231
611 1HD1 LEU 39 1HD1 LEU 39 -15.090 0.998 2.857
612 2HD1 LEU 39 2HD1 LEU 39 -15.857 2.332 2.017
613 3HD1 LEU 39 3HD1 LEU 39 -16.613 1.570 3.476
614 1HD2 LEU 39 1HD2 LEU 39 -15.657 4.645 3.072
615 2HD2 LEU 39 2HD2 LEU 39 -14.789 4.742 4.543
616 3HD2 LEU 39 3HD2 LEU 39 -16.521 4.118 4.667
617 H ALA 40 H ALA 40 -14.445 1.695 8.367
618 HA ALA 40 HA ALA 40 -14.065 0.214 9.990
619 1HB ALA 40 1HB ALA 40 -16.000 -0.807 10.365
620 2HB ALA 40 2HB ALA 40 -16.239 -1.516 8.691
621 3HB ALA 40 3HB ALA 40 -15.169 -2.174 9.994
622 H LEU 41 H LEU 41 -12.421 0.567 8.064
623 HA LEU 41 HA LEU 41 -10.437 -1.512 8.530
624 1HB LEU 41 1HB LEU 41 -9.592 -1.700 6.119
625 2HB LEU 41 2HB LEU 41 -11.083 -2.415 6.447
626 HG LEU 41 HG LEU 41 -12.511 -0.630 5.242
627 1HD1 LEU 41 1HD1 LEU 41 -9.883 0.875 4.874
628 2HD1 LEU 41 2HD1 LEU 41 -11.377 1.309 5.766
629 3HD1 LEU 41 3HD1 LEU 41 -11.376 1.089 4.012
630 1HD2 LEU 41 1HD2 LEU 41 -11.317 -2.387 3.613
631 2HD2 LEU 41 2HD2 LEU 41 -10.046 -1.249 3.483
632 3HD2 LEU 41 3HD2 LEU 41 -11.624 -0.818 2.936
633 H GLY 42 H GLY 42 -8.101 -0.909 7.597
634 1HA GLY 42 1HA GLY 42 -7.509 0.984 9.376
635 2HA GLY 42 2HA GLY 42 -6.392 0.291 8.139
636 H THR 43 H THR 43 -6.371 3.072 9.356
637 HA THR 43 HA THR 43 -7.147 5.169 7.704
638 HB THR 43 HB THR 43 -4.745 6.089 8.394
639 HG1 THR 43 HG1 THR 43 -3.850 5.022 10.203
640 1HG2 THR 43 1HG2 THR 43 -6.948 5.432 10.337
641 2HG2 THR 43 2HG2 THR 43 -6.589 6.959 9.436
642 3HG2 THR 43 3HG2 THR 43 -5.552 6.473 10.771
643 H ALA 44 H ALA 44 -4.323 2.955 7.342
644 HA ALA 44 HA ALA 44 -3.002 4.111 5.195
645 1HB ALA 44 1HB ALA 44 -3.202 1.299 6.409
646 2HB ALA 44 2HB ALA 44 -2.136 1.604 5.027
647 3HB ALA 44 3HB ALA 44 -1.863 2.494 6.450
648 H GLN 45 H GLN 45 -5.537 1.411 5.275
649 HA GLN 45 HA GLN 45 -5.446 0.916 2.477
650 1HB GLN 45 1HB GLN 45 -7.499 0.810 4.692
651 2HB GLN 45 2HB GLN 45 -7.860 0.076 3.164
652 1HG GLN 45 1HG GLN 45 -7.414 -1.624 4.368
653 2HG GLN 45 2HG GLN 45 -5.779 -1.486 3.642
654 1HE2 GLN 45 1HE2 GLN 45 -6.899 -2.671 5.937
655 2HE2 GLN 45 2HE2 GLN 45 -5.916 -2.182 7.389
656 H VAL 46 H VAL 46 -7.027 3.622 4.275
657 HA VAL 46 HA VAL 46 -8.975 4.083 2.118
658 HB VAL 46 HB VAL 46 -8.017 6.078 4.119
659 1HG1 VAL 46 1HG1 VAL 46 -9.779 6.577 2.052
660 2HG1 VAL 46 2HG1 VAL 46 -10.884 5.582 3.075
661 3HG1 VAL 46 3HG1 VAL 46 -10.274 7.181 3.626
662 1HG2 VAL 46 1HG2 VAL 46 -8.541 4.543 5.534
663 2HG2 VAL 46 2HG2 VAL 46 -10.111 5.362 5.450
664 3HG2 VAL 46 3HG2 VAL 46 -9.822 3.719 4.712
665 H LYS 47 H LYS 47 -5.918 5.557 2.904
666 HA LYS 47 HA LYS 47 -5.350 6.922 0.459
667 1HB LYS 47 1HB LYS 47 -3.501 5.648 2.573
668 2HB LYS 47 2HB LYS 47 -2.845 6.522 1.230
669 1HG LYS 47 1HG LYS 47 -3.860 8.503 1.889
670 2HG LYS 47 2HG LYS 47 -4.820 7.553 3.176
671 1HD LYS 47 1HD LYS 47 -1.867 8.274 2.970
672 2HD LYS 47 2HD LYS 47 -3.207 9.023 3.909
673 1HE LYS 47 1HE LYS 47 -3.344 6.779 5.302
674 2HE LYS 47 2HE LYS 47 -2.034 6.237 4.240
675 1HZ LYS 47 1HZ LYS 47 -0.670 7.894 5.367
676 2HZ LYS 47 2HZ LYS 47 -1.451 6.953 6.507
677 3HZ LYS 47 3HZ LYS 47 -1.893 8.534 6.078
678 H ILE 48 H ILE 48 -4.277 3.516 1.277
679 HA ILE 48 HA ILE 48 -3.318 3.197 -1.391
680 HB ILE 48 HB ILE 48 -4.263 1.020 0.401
681 1HG1 ILE 48 1HG1 ILE 48 -1.523 2.094 -0.230
682 2HG1 ILE 48 2HG1 ILE 48 -2.309 2.410 1.260
683 1HG2 ILE 48 1HG2 ILE 48 -2.457 0.948 -2.220
684 2HG2 ILE 48 2HG2 ILE 48 -2.867 -0.414 -1.146
685 3HG2 ILE 48 3HG2 ILE 48 -4.132 0.286 -2.109
686 1HD1 ILE 48 1HD1 ILE 48 -2.237 0.485 2.162
687 2HD1 ILE 48 2HD1 ILE 48 -1.998 -0.493 0.784
688 3HD1 ILE 48 3HD1 ILE 48 -0.655 0.585 1.311
689 H TRP 49 H TRP 49 -6.682 2.897 -0.266
690 HA TRP 49 HA TRP 49 -7.582 1.757 -2.744
691 1HB TRP 49 1HB TRP 49 -9.132 1.886 -0.799
692 2HB TRP 49 2HB TRP 49 -9.068 3.539 -0.845
693 HD1 TRP 49 HD1 TRP 49 -9.834 0.942 -3.668
694 HE1 TRP 49 HE1 TRP 49 -11.980 1.753 -5.022
695 HE3 TRP 49 HE3 TRP 49 -10.615 5.491 -1.478
696 HZ2 TRP 49 HZ2 TRP 49 -13.470 4.123 -5.300
697 HZ3 TRP 49 HZ3 TRP 49 -12.201 7.125 -2.428
698 HH2 TRP 49 HH2 TRP 49 -13.664 6.403 -4.406
699 H PHE 50 H PHE 50 -7.647 5.167 -1.685
700 HA PHE 50 HA PHE 50 -8.506 6.241 -4.045
701 1HB PHE 50 1HB PHE 50 -6.560 7.263 -1.970
702 2HB PHE 50 2HB PHE 50 -6.680 8.201 -3.486
703 HD1 PHE 50 HD1 PHE 50 -8.151 10.112 -3.290
704 HD2 PHE 50 HD2 PHE 50 -9.043 6.683 -0.940
705 HE1 PHE 50 HE1 PHE 50 -10.041 11.270 -2.237
706 HE2 PHE 50 HE2 PHE 50 -11.132 7.828 -0.114
707 HZ PHE 50 HZ PHE 50 -11.507 10.139 -0.731
708 H LYS 51 H LYS 51 -5.035 5.515 -3.362
709 HA LYS 51 HA LYS 51 -3.926 6.014 -5.878
710 1HB LYS 51 1HB LYS 51 -3.098 3.807 -3.949
711 2HB LYS 51 2HB LYS 51 -2.336 4.320 -5.410
712 1HG LYS 51 1HG LYS 51 -2.574 6.765 -3.920
713 2HG LYS 51 2HG LYS 51 -2.404 5.517 -2.695
714 1HD LYS 51 1HD LYS 51 -0.500 6.200 -4.913
715 2HD LYS 51 2HD LYS 51 -0.391 6.540 -3.242
716 1HE LYS 51 1HE LYS 51 -0.359 3.940 -2.658
717 2HE LYS 51 2HE LYS 51 -0.286 3.662 -4.416
718 1HZ LYS 51 1HZ LYS 51 1.746 4.990 -2.759
719 2HZ LYS 51 2HZ LYS 51 1.798 5.046 -4.303
720 3HZ LYS 51 3HZ LYS 51 1.888 3.572 -3.717
721 H ASN 52 H ASN 52 -4.989 2.861 -4.694
722 HA ASN 52 HA ASN 52 -4.624 1.336 -6.938
723 1HB ASN 52 1HB ASN 52 -5.015 0.814 -4.516
724 2HB ASN 52 2HB ASN 52 -6.808 1.101 -4.823
725 1HD2 ASN 52 1HD2 ASN 52 -5.116 -1.372 -4.010
726 2HD2 ASN 52 2HD2 ASN 52 -5.666 -2.519 -5.098
727 H ARG 53 H ARG 53 -7.604 3.249 -6.214
728 HA ARG 53 HA ARG 53 -9.193 2.667 -8.565
729 1HB ARG 53 1HB ARG 53 -9.686 3.781 -6.231
730 2HB ARG 53 2HB ARG 53 -9.432 5.365 -7.044
731 1HG ARG 53 1HG ARG 53 -11.471 5.280 -7.334
732 2HG ARG 53 2HG ARG 53 -10.869 4.651 -8.878
733 1HD ARG 53 1HD ARG 53 -11.335 2.381 -8.242
734 2HD ARG 53 2HD ARG 53 -11.729 2.938 -6.585
735 HE ARG 53 HE ARG 53 -13.719 4.217 -8.035
736 1HH1 ARG 53 2HH1 ARG 53 -12.888 0.847 -7.707
737 2HH1 ARG 53 1HH1 ARG 53 -14.321 0.298 -8.378
738 1HH2 ARG 53 2HH2 ARG 53 -15.731 3.576 -8.519
739 2HH2 ARG 53 1HH2 ARG 53 -16.013 1.866 -8.691
740 H ARG 54 H ARG 54 -7.195 5.591 -8.008
741 HA ARG 54 HA ARG 54 -7.419 6.530 -10.635
742 1HB ARG 54 1HB ARG 54 -4.960 6.874 -8.725
743 2HB ARG 54 2HB ARG 54 -5.298 7.807 -10.092
744 1HG ARG 54 1HG ARG 54 -6.847 7.995 -7.588
745 2HG ARG 54 2HG ARG 54 -5.765 9.061 -8.270
746 1HD ARG 54 1HD ARG 54 -7.342 9.100 -10.344
747 2HD ARG 54 2HD ARG 54 -8.482 8.290 -9.287
748 HE ARG 54 HE ARG 54 -7.540 11.131 -8.938
749 1HH1 ARG 54 2HH1 ARG 54 -9.374 8.627 -7.544
750 2HH1 ARG 54 1HH1 ARG 54 -9.660 9.476 -6.007
751 1HH2 ARG 54 2HH2 ARG 54 -8.298 12.461 -7.138
752 2HH2 ARG 54 1HH2 ARG 54 -9.113 11.511 -5.906
753 H ARG 55 H ARG 55 -5.052 4.434 -9.369
754 HA ARG 55 HA ARG 55 -3.168 4.469 -11.567
755 1HB ARG 55 1HB ARG 55 -3.499 2.529 -9.151
756 2HB ARG 55 2HB ARG 55 -2.334 2.281 -10.355
757 1HG ARG 55 1HG ARG 55 -2.205 4.782 -8.476
758 2HG ARG 55 2HG ARG 55 -1.278 3.433 -8.394
759 1HD ARG 55 1HD ARG 55 -1.466 5.292 -10.710
760 2HD ARG 55 2HD ARG 55 -0.146 5.145 -9.582
761 HE ARG 55 HE ARG 55 -0.051 3.841 -12.016
762 1HH1 ARG 55 2HH1 ARG 55 0.849 3.291 -8.550
763 2HH1 ARG 55 1HH1 ARG 55 1.956 2.037 -9.164
764 1HH2 ARG 55 2HH2 ARG 55 1.421 2.312 -12.337
765 2HH2 ARG 55 1HH2 ARG 55 2.344 1.676 -11.158
766 H ARG 56 H ARG 56 -5.616 1.897 -10.480
767 HA ARG 56 HA ARG 56 -5.399 0.453 -12.835
768 1HB ARG 56 1HB ARG 56 -6.664 -0.087 -10.731
769 2HB ARG 56 2HB ARG 56 -7.973 1.041 -11.415
770 1HG ARG 56 1HG ARG 56 -8.150 -0.538 -13.313
771 2HG ARG 56 2HG ARG 56 -6.718 -1.423 -12.724
772 1HD ARG 56 1HD ARG 56 -9.338 -1.119 -11.333
773 2HD ARG 56 2HD ARG 56 -9.096 -2.460 -12.460
774 HE ARG 56 HE ARG 56 -7.766 -3.533 -10.797
775 1HH1 ARG 56 2HH1 ARG 56 -9.109 -0.567 -9.311
776 2HH1 ARG 56 1HH1 ARG 56 -7.876 -0.520 -8.167
777 1HH2 ARG 56 2HH2 ARG 56 -6.507 -3.549 -8.945
778 2HH2 ARG 56 1HH2 ARG 56 -7.128 -2.553 -7.674
779 H HIS 57 H HIS 57 -7.482 3.264 -12.451
780 HA HIS 57 HA HIS 57 -8.962 3.082 -14.875
781 1HB HIS 57 1HB HIS 57 -9.589 4.499 -12.742
782 2HB HIS 57 2HB HIS 57 -8.289 5.553 -13.168
783 HD1 HIS 57 HD1 HIS 57 -11.947 4.797 -14.102
784 HD2 HIS 57 HD2 HIS 57 -8.660 7.153 -15.207
785 HE1 HIS 57 HE1 HIS 57 -12.843 6.615 -15.552
786 H LYS 58 H LYS 58 -6.184 4.950 -14.060
787 HA LYS 58 HA LYS 58 -5.803 5.773 -16.786
788 1HB LYS 58 1HB LYS 58 -4.043 7.217 -16.128
789 2HB LYS 58 2HB LYS 58 -5.030 7.274 -14.805
790 1HG LYS 58 1HG LYS 58 -3.831 5.549 -13.462
791 2HG LYS 58 2HG LYS 58 -2.641 5.463 -14.828
792 1HD LYS 58 1HD LYS 58 -1.498 6.993 -13.615
793 2HD LYS 58 2HD LYS 58 -2.565 8.187 -14.272
794 1HE LYS 58 1HE LYS 58 -4.182 7.663 -12.336
795 2HE LYS 58 2HE LYS 58 -2.876 6.894 -11.487
796 1HZ LYS 58 1HZ LYS 58 -2.658 9.141 -10.742
797 2HZ LYS 58 2HZ LYS 58 -2.867 9.767 -12.184
798 3HZ LYS 58 3HZ LYS 58 -1.558 8.996 -12.039
799 H ILE 59 H ILE 59 -4.487 3.316 -15.208
800 HA ILE 59 HA ILE 59 -2.597 2.515 -17.351
801 HB ILE 59 HB ILE 59 -3.877 0.799 -15.209
802 1HG1 ILE 59 1HG1 ILE 59 -0.905 1.467 -15.594
803 2HG1 ILE 59 2HG1 ILE 59 -1.868 2.663 -14.822
804 1HG2 ILE 59 1HG2 ILE 59 -2.013 -0.072 -17.420
805 2HG2 ILE 59 2HG2 ILE 59 -2.198 -1.027 -15.919
806 3HG2 ILE 59 3HG2 ILE 59 -3.552 -0.733 -17.075
807 1HD1 ILE 59 1HD1 ILE 59 -1.058 0.098 -13.720
808 2HD1 ILE 59 2HD1 ILE 59 -1.152 1.732 -13.079
809 3HD1 ILE 59 3HD1 ILE 59 -2.656 0.747 -13.197
810 H GLN 60 H GLN 60 -6.026 1.393 -16.707
811 HA GLN 60 HA GLN 60 -6.360 -0.036 -19.154
812 1HB GLN 60 1HB GLN 60 -8.336 1.446 -17.449
813 2HB GLN 60 2HB GLN 60 -8.656 0.302 -18.575
814 1HG GLN 60 1HG GLN 60 -7.723 -1.519 -17.472
815 2HG GLN 60 2HG GLN 60 -6.849 -0.682 -16.233
816 1HE2 GLN 60 1HE2 GLN 60 -8.676 -2.604 -15.601
817 2HE2 GLN 60 2HE2 GLN 60 -10.236 -1.912 -15.154
818 H SER 61 H SER 61 -6.756 3.405 -18.348
819 HA SER 61 HA SER 61 -7.509 4.202 -21.099
820 1HB SER 61 1HB SER 61 -6.105 5.741 -18.974
821 2HB SER 61 2HB SER 61 -7.039 6.503 -20.202
822 HG SER 61 HG SER 61 -8.031 4.749 -18.266
823 H ASP 62 H ASP 62 -4.656 2.901 -20.269
824 HA ASP 62 HA ASP 62 -3.344 4.254 -22.615
825 1HB ASP 62 1HB ASP 62 -2.256 5.025 -20.716
826 2HB ASP 62 2HB ASP 62 -1.966 3.384 -20.200
827 H GLN 63 H GLN 63 -4.530 1.437 -21.404
828 HA GLN 63 HA GLN 63 -2.733 -0.518 -22.661
829 1HB GLN 63 1HB GLN 63 -4.767 -0.641 -20.558
830 2HB GLN 63 2HB GLN 63 -4.461 -2.208 -21.489
831 1HG GLN 63 1HG GLN 63 -2.566 -0.622 -19.756
832 2HG GLN 63 2HG GLN 63 -3.314 -2.059 -19.477
833 1HE2 GLN 63 1HE2 GLN 63 -0.469 -0.876 -20.629
834 2HE2 GLN 63 2HE2 GLN 63 -0.030 -2.097 -21.806
835 H HIS 64 H HIS 64 -2.871 -1.263 -24.618
836 HA HIS 64 HA HIS 64 -3.483 -1.126 -26.846
837 1HB HIS 64 1HB HIS 64 -5.228 -2.771 -27.359
838 2HB HIS 64 2HB HIS 64 -3.812 -3.205 -26.474
839 HD1 HIS 64 HD1 HIS 64 -7.625 -2.638 -25.514
840 HD2 HIS 64 HD2 HIS 64 -4.031 -4.506 -24.301
841 HE1 HIS 64 HE1 HIS 64 -8.191 -4.222 -23.681
842 H LYS 65 H LYS 65 -3.819 1.371 -26.118
843 HA LYS 65 HA LYS 65 -6.300 2.398 -25.498
844 1HB LYS 65 1HB LYS 65 -4.221 3.486 -24.961
845 2HB LYS 65 2HB LYS 65 -4.011 3.891 -26.688
846 1HG LYS 65 1HG LYS 65 -6.281 5.098 -26.530
847 2HG LYS 65 2HG LYS 65 -6.232 4.669 -24.753
848 1HD LYS 65 1HD LYS 65 -4.139 6.334 -24.829
849 2HD LYS 65 2HD LYS 65 -4.615 6.619 -26.479
850 1HE LYS 65 1HE LYS 65 -5.871 8.171 -25.519
851 2HE LYS 65 2HE LYS 65 -6.975 6.863 -25.391
852 1HZ LYS 65 1HZ LYS 65 -5.464 8.121 -23.222
853 2HZ LYS 65 2HZ LYS 65 -5.983 6.545 -23.029
854 3HZ LYS 65 3HZ LYS 65 -7.046 7.748 -23.318
855 H ASP 66 H ASP 66 -4.783 2.394 -28.474
856 HA ASP 66 HA ASP 66 -5.225 2.749 -30.559
857 1HB ASP 66 1HB ASP 66 -7.994 1.272 -30.226
858 2HB ASP 66 2HB ASP 66 -7.092 1.507 -31.657
859 H GLN 67 H GLN 67 -6.302 5.016 -28.932
860 HA GLN 67 HA GLN 67 -7.701 6.335 -31.141
861 1HB GLN 67 1HB GLN 67 -9.666 5.600 -29.650
862 2HB GLN 67 2HB GLN 67 -8.799 6.346 -28.294
863 1HG GLN 67 1HG GLN 67 -8.891 8.606 -29.689
864 2HG GLN 67 2HG GLN 67 -9.854 7.765 -30.772
865 1HE2 GLN 67 1HE2 GLN 67 -10.390 9.893 -28.845
866 2HE2 GLN 67 2HE2 GLN 67 -11.877 9.435 -27.983
867 H SER 68 H SER 68 -6.856 8.494 -31.217
868 HA SER 68 HA SER 68 -5.770 9.824 -28.866
869 1HB SER 68 1HB SER 68 -3.874 9.577 -31.161
870 2HB SER 68 2HB SER 68 -3.731 10.627 -29.749
871 HG SER 68 HG SER 68 -4.571 8.366 -28.914
Start of MODEL 20
1 1H5* G 69 1H5* G 69 6.419 -25.819 -10.864
2 2H5* G 69 2H5* G 69 8.022 -25.053 -10.877
3 H4* G 69 H4* G 69 6.483 -24.659 -12.893
4 H3* G 69 H3* G 69 8.082 -22.661 -11.761
5 H1* G 69 H1* G 69 4.370 -21.807 -12.143
6 H8 G 69 H8 G 69 5.701 -22.090 -8.642
7 H1 G 69 H1 G 69 -0.879 -21.930 -9.119
8 1H2 G 69 1H2 G 69 0.010 -21.081 -12.316
9 2H2 G 69 2H2 G 69 -1.320 -21.238 -11.132
10 H5T G 69 H5T G 69 6.815 -24.954 -8.910
11 1H2* G 69 1H2* G 69 6.672 -21.558 -10.483
12 2H2* G 69 2H2* G 69 6.221 -20.786 -11.958
13 1H5* C 70 1H5* C 70 4.924 -22.235 -14.951
14 2H5* C 70 2H5* C 70 5.595 -21.559 -16.424
15 H4* C 70 H4* C 70 3.139 -21.053 -16.197
16 H3* C 70 H3* C 70 5.057 -18.970 -16.575
17 H1* C 70 H1* C 70 1.662 -19.093 -14.682
18 1H4 C 70 1H4 C 70 3.782 -18.041 -8.502
19 2H4 C 70 2H4 C 70 2.040 -17.704 -8.532
20 H5 C 70 H5 C 70 5.018 -18.795 -10.397
21 H6 C 70 H6 C 70 4.720 -19.378 -12.869
22 1H2* C 70 1H2* C 70 4.507 -18.112 -14.431
23 2H2* C 70 2H2* C 70 3.153 -17.334 -15.383
24 1H5* T 71 1H5* T 71 0.462 -18.377 -17.261
25 2H5* T 71 2H5* T 71 0.064 -17.272 -18.603
26 H4* T 71 H4* T 71 -1.351 -16.657 -16.627
27 H3* T 71 H3* T 71 0.928 -14.811 -17.275
28 1H2* T 71 1H2* T 71 0.955 -13.962 -15.264
29 2H2* T 71 2H2* T 71 -0.858 -13.715 -15.204
30 H1* T 71 H1* T 71 -1.157 -15.578 -14.119
31 H3 T 71 H3 T 71 0.678 -14.744 -9.919
32 1H5M T 71 1H5M T 71 4.540 -15.922 -13.310
33 2H5M T 71 2H5M T 71 4.865 -14.358 -12.404
34 3H5M T 71 3H5M T 71 4.754 -15.813 -11.500
35 H6 T 71 H6 T 71 2.567 -15.563 -14.230
36 1H5* C 72 1H5* C 72 -3.237 -12.859 -16.327
37 2H5* C 72 2H5* C 72 -3.284 -11.272 -16.994
38 H4* C 72 H4* C 72 -3.920 -11.474 -14.582
39 H3* C 72 H3* C 72 -2.563 -9.216 -15.896
40 H1* C 72 H1* C 72 -2.125 -10.721 -12.382
41 1H4 C 72 1H4 C 72 4.418 -11.828 -12.163
42 2H4 C 72 2H4 C 72 3.672 -12.079 -10.531
43 H5 C 72 H5 C 72 2.965 -11.377 -14.147
44 H6 C 72 H6 C 72 0.656 -11.080 -14.811
45 1H2* C 72 1H2* C 72 -0.830 -9.074 -14.496
46 2H2* C 72 2H2* C 72 -1.871 -8.592 -13.240
47 1H5* T 73 1H5* T 73 -3.941 -9.543 -11.730
48 2H5* T 73 2H5* T 73 -5.536 -8.873 -11.579
49 H4* T 73 H4* T 73 -5.036 -8.492 -9.562
50 H3* T 73 H3* T 73 -4.772 -5.998 -10.481
51 1H2* T 73 1H2* T 73 -2.374 -6.332 -10.918
52 2H2* T 73 2H2* T 73 -2.204 -5.625 -9.303
53 H1* T 73 H1* T 73 -2.188 -7.627 -8.150
54 H3 T 73 H3 T 73 2.029 -8.875 -8.077
55 1H5M T 73 1H5M T 73 1.025 -7.126 -13.105
56 2H5M T 73 2H5M T 73 2.553 -6.791 -12.321
57 3H5M T 73 3H5M T 73 2.274 -8.380 -12.871
58 H6 T 73 H6 T 73 -0.670 -7.346 -11.552
59 1H5* A 74 1H5* A 74 -4.549 -6.987 -5.918
60 2H5* A 74 2H5* A 74 -5.801 -5.943 -5.361
61 H4* A 74 H4* A 74 -4.404 -6.527 -3.548
62 H3* A 74 H3* A 74 -4.861 -3.806 -4.161
63 H1* A 74 H1* A 74 -1.360 -5.323 -3.069
64 H8 A 74 H8 A 74 -1.872 -4.131 -6.738
65 1H6 A 74 1H6 A 74 4.209 -5.599 -7.739
66 2H6 A 74 2H6 A 74 2.807 -4.940 -8.545
67 H2 A 74 H2 A 74 3.091 -6.641 -3.655
68 1H2* A 74 1H2* A 74 -2.849 -3.437 -4.951
69 2H2* A 74 2H2* A 74 -2.429 -3.104 -3.277
70 1H5* A 75 1H5* A 75 -2.489 -5.285 -0.885
71 2H5* A 75 2H5* A 75 -2.883 -4.674 0.761
72 H4* A 75 H4* A 75 -0.622 -5.130 0.766
73 H3* A 75 H3* A 75 -1.388 -2.365 1.162
74 H1* A 75 H1* A 75 1.681 -3.867 -0.628
75 H8 A 75 H8 A 75 -0.672 -1.981 -3.044
76 1H6 A 75 1H6 A 75 4.081 -2.444 -7.068
77 2H6 A 75 2H6 A 75 2.819 -1.280 -6.819
78 H2 A 75 H2 A 75 5.552 -3.615 -3.223
79 1H2* A 75 1H2* A 75 -0.462 -1.575 -0.547
80 2H2* A 75 2H2* A 75 1.131 -1.730 0.296
81 1H5* T 76 1H5* T 76 2.717 -4.113 1.257
82 2H5* T 76 2H5* T 76 3.417 -4.333 2.815
83 H4* T 76 H4* T 76 5.212 -4.093 1.871
84 H3* T 76 H3* T 76 4.650 -1.749 3.433
85 1H2* T 76 1H2* T 76 4.292 -0.226 1.666
86 2H2* T 76 2H2* T 76 6.023 -0.119 1.772
87 H1* T 76 H1* T 76 6.368 -1.856 0.054
88 H3 T 76 H3 T 76 5.518 0.154 -3.930
89 1H5M T 76 1H5M T 76 1.783 2.210 -1.923
90 2H5M T 76 2H5M T 76 1.080 0.804 -2.866
91 3H5M T 76 3H5M T 76 1.130 0.754 -1.133
92 H6 T 76 H6 T 76 2.809 -0.254 0.030
93 1H5* C 77 1H5* C 77 8.324 -2.242 1.541
94 2H5* C 77 2H5* C 77 9.859 -2.173 2.346
95 H4* C 77 H4* C 77 10.461 -1.497 0.044
96 H3* C 77 H3* C 77 11.124 0.063 2.239
97 H1* C 77 H1* C 77 10.069 1.469 -0.938
98 1H4 C 77 1H4 C 77 3.799 3.599 -1.422
99 2H4 C 77 2H4 C 77 4.641 3.906 -2.931
100 H5 C 77 H5 C 77 5.028 2.895 0.633
101 H6 C 77 H6 C 77 7.197 1.817 1.290
102 1H2* C 77 1H2* C 77 9.249 1.469 1.926
103 2H2* C 77 2H2* C 77 10.417 2.466 1.129
104 1H5* C 78 1H5* C 78 12.819 1.555 -2.157
105 2H5* C 78 2H5* C 78 14.511 2.172 -1.874
106 H4* C 78 H4* C 78 13.314 3.521 -3.438
107 H3* C 78 H3* C 78 14.173 4.592 -0.940
108 H1* C 78 H1* C 78 11.230 5.443 -3.363
109 1H4 C 78 1H4 C 78 6.184 5.573 0.722
110 2H4 C 78 2H4 C 78 5.657 6.109 -0.876
111 H5 C 78 H5 C 78 8.478 4.681 1.181
112 H6 C 78 H6 C 78 10.642 4.320 0.075
113 1H2* C 78 1H2* C 78 12.332 6.059 -0.714
114 2H2* C 78 2H2* C 78 12.554 6.721 -2.313
115 1H5* C 79 1H5* C 79 13.472 6.657 -4.631
116 2H5* C 79 2H5* C 79 14.821 7.288 -5.387
117 H4* C 79 H4* C 79 13.214 8.514 -6.117
118 H3* C 79 H3* C 79 14.843 10.114 -4.198
119 H1* C 79 H1* C 79 11.081 10.473 -4.816
120 1H4 C 79 1H4 C 79 7.832 8.975 0.826
121 2H4 C 79 2H4 C 79 6.789 10.026 -0.144
122 H5 C 79 H5 C 79 10.011 8.185 0.060
123 H6 C 79 H6 C 79 11.483 8.241 -1.707
124 1H2* C 79 1H2* C 79 13.049 10.290 -2.558
125 2H2* C 79 2H2* C 79 12.588 11.682 -3.526
126 1H5* C 80 1H5* C 80 11.142 11.628 -6.708
127 2H5* C 80 2H5* C 80 11.945 12.286 -7.941
128 H4* C 80 H4* C 80 9.771 13.346 -7.920
129 H3* C 80 H3* C 80 11.719 15.122 -7.341
130 H1* C 80 H1* C 80 8.485 14.816 -5.404
131 1H4 C 80 1H4 C 80 9.702 12.640 0.608
132 2H4 C 80 2H4 C 80 7.964 12.727 0.320
133 H5 C 80 H5 C 80 11.342 13.206 -1.196
134 H6 C 80 H6 C 80 11.439 13.810 -3.559
135 1H2* C 80 1H2* C 80 11.445 15.384 -4.954
136 2H2* C 80 2H2* C 80 10.182 16.540 -5.460
137 1H5* G 81 1H5* G 81 7.714 17.080 -7.903
138 2H5* G 81 2H5* G 81 7.844 18.831 -8.348
139 H4* G 81 H4* G 81 6.267 18.383 -6.497
140 H3* G 81 H3* G 81 8.657 20.132 -6.413
141 H1* G 81 H1* G 81 6.617 18.531 -3.778
142 H8 G 81 H8 G 81 10.149 17.686 -3.015
143 H1 G 81 H1 G 81 5.911 15.395 1.144
144 1H2 G 81 1H2 G 81 3.572 16.725 -1.087
145 2H2 G 81 2H2 G 81 3.880 15.795 0.350
146 H3T G 81 H3T G 81 7.173 21.278 -4.978
147 1H2* G 81 1H2* G 81 9.480 19.057 -4.872
148 2H2* G 81 2H2* G 81 8.527 20.030 -3.755
149 1H5* C 82 1H5* C 82 0.856 14.454 8.447
150 2H5* C 82 2H5* C 82 -0.205 13.105 8.153
151 H4* C 82 H4* C 82 -0.347 14.753 6.361
152 H3* C 82 H3* C 82 0.070 11.946 6.131
153 H1* C 82 H1* C 82 1.492 14.707 3.768
154 1H4 C 82 1H4 C 82 7.886 14.324 4.510
155 2H4 C 82 2H4 C 82 7.531 14.755 2.845
156 H5 C 82 H5 C 82 6.314 13.256 5.922
157 H6 C 82 H6 C 82 3.600 13.142 6.119
158 H5T C 82 H5T C 82 2.337 12.917 8.693
159 1H2* C 82 1H2* C 82 1.934 11.956 4.722
160 2H2* C 82 2H2* C 82 0.727 12.507 3.481
161 1H5* G 83 1H5* G 83 -1.831 13.851 2.383
162 2H5* G 83 2H5* G 83 -3.299 13.028 1.676
163 H4* G 83 H4* G 83 -1.919 13.567 -0.147
164 H3* G 83 H3* G 83 -2.710 10.895 0.316
165 H1* G 83 H1* G 83 0.518 12.121 -1.086
166 H8 G 83 H8 G 83 1.449 10.873 2.333
167 H1 G 83 H1 G 83 6.233 13.258 -1.276
168 1H2 G 83 1H2 G 83 3.652 14.192 -3.397
169 2H2 G 83 2H2 G 83 5.344 14.410 -3.043
170 1H2* G 83 1H2* G 83 -0.491 10.471 1.252
171 2H2* G 83 2H2* G 83 -0.244 9.898 -0.463
172 1H5* G 84 1H5* G 84 -1.900 12.769 -3.726
173 2H5* G 84 2H5* G 84 -3.111 12.381 -5.015
174 H4* G 84 H4* G 84 -1.327 13.425 -5.990
175 H3* G 84 H3* G 84 -1.922 11.016 -6.979
176 H1* G 84 H1* G 84 1.627 11.657 -6.266
177 H8 G 84 H8 G 84 0.132 9.895 -3.307
178 H1 G 84 H1 G 84 6.437 10.785 -2.654
179 1H2 G 84 1H2 G 84 6.041 12.295 -5.683
180 2H2 G 84 2H2 G 84 7.169 11.477 -4.631
181 1H2* G 84 1H2* G 84 -0.617 9.833 -5.441
182 2H2* G 84 2H2* G 84 0.461 9.796 -6.819
183 1H5* G 85 1H5* G 85 2.417 11.495 -9.087
184 2H5* G 85 2H5* G 85 2.079 10.797 -10.660
185 H4* G 85 H4* G 85 3.876 9.472 -9.900
186 H3* G 85 H3* G 85 1.447 8.057 -10.385
187 H1* G 85 H1* G 85 4.020 7.543 -7.825
188 H8 G 85 H8 G 85 0.889 7.376 -5.848
189 H1 G 85 H1 G 85 6.401 7.186 -2.639
190 1H2 G 85 1H2 G 85 7.676 8.514 -5.441
191 2H2 G 85 2H2 G 85 8.006 7.462 -4.072
192 1H2* G 85 1H2* G 85 1.007 7.920 -8.142
193 2H2* G 85 2H2* G 85 2.045 6.447 -8.294
194 1H5* G 86 1H5* G 86 6.025 8.069 -11.774
195 2H5* G 86 2H5* G 86 6.029 7.386 -13.468
196 H4* G 86 H4* G 86 8.126 7.022 -12.187
197 H3* G 86 H3* G 86 6.882 5.138 -13.415
198 H1* G 86 H1* G 86 8.207 4.582 -9.874
199 H8 G 86 H8 G 86 4.442 5.067 -9.950
200 H1 G 86 H1 G 86 6.842 3.698 -4.238
201 1H2 G 86 1H2 G 86 9.724 3.457 -6.044
202 2H2 G 86 2H2 G 86 8.963 3.374 -4.447
203 1H2* G 86 1H2* G 86 5.767 4.274 -11.621
204 2H2* G 86 2H2* G 86 7.097 3.188 -11.519
205 1H5* A 87 1H5* A 87 11.044 4.419 -10.344
206 2H5* A 87 2H5* A 87 11.766 3.686 -11.753
207 H4* A 87 H4* A 87 12.732 2.792 -9.763
208 H3* A 87 H3* A 87 12.196 1.188 -11.779
209 H1* A 87 H1* A 87 10.740 0.142 -8.289
210 H8 A 87 H8 A 87 8.065 1.310 -10.745
211 1H6 A 87 1H6 A 87 4.324 1.009 -5.903
212 2H6 A 87 2H6 A 87 4.410 1.713 -7.578
213 H2 A 87 H2 A 87 8.317 0.063 -4.532
214 1H2* A 87 1H2* A 87 9.961 0.756 -11.131
215 2H2* A 87 2H2* A 87 10.732 -0.727 -10.415
216 1H5* T 88 1H5* T 88 13.381 -0.192 -7.619
217 2H5* T 88 2H5* T 88 14.527 -1.628 -7.550
218 H4* T 88 H4* T 88 13.115 -1.632 -5.487
219 H3* T 88 H3* T 88 13.687 -3.744 -7.313
220 1H2* T 88 1H2* T 88 11.616 -3.993 -8.062
221 2H2* T 88 2H2* T 88 11.328 -4.984 -6.656
222 H1* T 88 H1* T 88 10.638 -3.376 -5.315
223 H3 T 88 H3 T 88 6.162 -2.462 -5.933
224 1H5M T 88 1H5M T 88 8.848 -2.070 -10.620
225 2H5M T 88 2H5M T 88 7.365 -3.025 -10.680
226 3H5M T 88 3H5M T 88 7.259 -1.300 -10.416
227 H6 T 88 H6 T 88 9.981 -2.780 -8.878
228 1H5* T 89 1H5* T 89 12.587 -4.305 -3.038
229 2H5* T 89 2H5* T 89 13.142 -5.792 -2.288
230 H4* T 89 H4* T 89 11.050 -5.013 -1.335
231 H3* T 89 H3* T 89 11.725 -7.577 -2.025
232 1H2* T 89 1H2* T 89 10.562 -7.504 -3.957
233 2H2* T 89 2H2* T 89 9.279 -8.236 -2.935
234 H1* T 89 H1* T 89 8.416 -6.092 -2.399
235 H3 T 89 H3 T 89 5.182 -6.119 -5.599
236 1H5M T 89 1H5M T 89 8.665 -7.332 -8.665
237 2H5M T 89 2H5M T 89 8.773 -5.584 -8.990
238 3H5M T 89 3H5M T 89 10.048 -6.384 -8.086
239 H6 T 89 H6 T 89 10.008 -6.178 -5.714
240 1H5* A 90 1H5* A 90 7.239 -6.893 -0.636
241 2H5* A 90 2H5* A 90 7.471 -7.534 1.014
242 H4* A 90 H4* A 90 5.297 -7.817 0.641
243 H3* A 90 H3* A 90 6.523 -10.249 0.784
244 H1* A 90 H1* A 90 4.048 -9.448 -1.958
245 H8 A 90 H8 A 90 7.577 -9.853 -3.294
246 1H6 A 90 1H6 A 90 4.806 -8.998 -8.719
247 2H6 A 90 2H6 A 90 6.416 -9.333 -8.083
248 H2 A 90 H2 A 90 1.775 -9.209 -5.754
249 1H2* A 90 1H2* A 90 6.869 -10.567 -1.485
250 2H2* A 90 2H2* A 90 5.361 -11.441 -1.234
251 1H5* G 91 1H5* G 91 2.198 -10.548 -0.176
252 2H5* G 91 2H5* G 91 1.191 -11.546 1.030
253 H4* G 91 H4* G 91 0.355 -12.017 -1.112
254 H3* G 91 H3* G 91 1.738 -14.132 0.044
255 H1* G 91 H1* G 91 1.006 -13.191 -3.558
256 H8 G 91 H8 G 91 4.836 -12.601 -3.536
257 H1 G 91 H1 G 91 1.867 -11.963 -9.158
258 1H2 G 91 1H2 G 91 -0.818 -11.444 -7.095
259 2H2 G 91 2H2 G 91 -0.345 -11.677 -8.785
260 1H2* G 91 1H2* G 91 3.343 -14.278 -1.898
261 2H2* G 91 2H2* G 91 1.923 -15.044 -2.673
262 1H5* A 92 1H5* A 92 -1.878 -12.444 -1.799
263 2H5* A 92 2H5* A 92 -2.926 -12.505 -0.412
264 H4* A 92 H4* A 92 -4.319 -12.248 -2.300
265 H3* A 92 H3* A 92 -4.547 -14.637 -1.217
266 H1* A 92 H1* A 92 -3.798 -14.680 -5.015
267 H8 A 92 H8 A 92 -0.946 -15.403 -2.806
268 1H6 A 92 1H6 A 92 2.217 -15.709 -8.257
269 2H6 A 92 2H6 A 92 2.474 -15.975 -6.508
270 H2 A 92 H2 A 92 -1.718 -14.821 -9.225
271 1H2* A 92 1H2* A 92 -2.990 -15.780 -2.528
272 2H2* A 92 2H2* A 92 -4.396 -16.070 -3.493
273 1H5* G 93 1H5* G 93 -6.368 -14.858 -5.238
274 2H5* G 93 2H5* G 93 -8.056 -15.267 -5.004
275 H4* G 93 H4* G 93 -7.499 -15.956 -7.222
276 H3* G 93 H3* G 93 -8.209 -17.984 -5.320
277 H1* G 93 H1* G 93 -5.222 -18.461 -7.699
278 H8 G 93 H8 G 93 -3.889 -18.084 -4.357
279 H1 G 93 H1 G 93 0.409 -18.637 -9.210
280 1H2 G 93 1H2 G 93 -2.231 -18.325 -11.205
281 2H2 G 93 2H2 G 93 -0.492 -18.322 -11.010
282 1H2* G 93 1H2* G 93 -5.879 -18.518 -4.732
283 2H2* G 93 2H2* G 93 -6.106 -19.689 -5.900
284 1H5* C 94 1H5* C 94 -10.190 -20.855 -10.103
285 2H5* C 94 2H5* C 94 -9.544 -21.081 -8.573
286 H4* C 94 H4* C 94 -7.869 -20.088 -10.984
287 H3* C 94 H3* C 94 -8.712 -22.760 -9.805
288 H1* C 94 H1* C 94 -5.430 -20.877 -10.512
289 1H4 C 94 1H4 C 94 -2.068 -22.976 -5.190
290 2H4 C 94 2H4 C 94 -1.031 -22.676 -6.626
291 H5 C 94 H5 C 94 -4.401 -22.206 -5.328
292 H6 C 94 H6 C 94 -6.260 -21.580 -6.965
293 H3T C 94 H3T C 94 -8.073 -23.349 -11.818
294 1H2* C 94 1H2* C 94 -6.871 -22.978 -8.718
295 2H2* C 94 2H2* C 94 -6.063 -23.396 -10.167
296 1H GLY 1 1H GLY 1 -0.302 -12.964 3.569
297 2H GLY 1 2H GLY 1 -0.672 -11.467 4.371
298 3H GLY 1 3H GLY 1 -0.022 -12.786 5.152
299 1HA GLY 1 1HA GLY 1 1.842 -12.657 3.675
300 2HA GLY 1 2HA GLY 1 1.219 -11.165 3.106
301 HA PRO 2 HA PRO 2 3.255 -10.778 7.542
302 1HB PRO 2 1HB PRO 2 5.798 -11.540 7.384
303 2HB PRO 2 2HB PRO 2 4.510 -12.788 7.692
304 1HG PRO 2 1HG PRO 2 5.727 -12.106 5.059
305 2HG PRO 2 2HG PRO 2 5.631 -13.666 5.898
306 1HD PRO 2 1HD PRO 2 3.698 -12.947 4.116
307 2HD PRO 2 2HD PRO 2 3.226 -13.702 5.647
308 H ARG 3 H ARG 3 4.215 -9.997 4.238
309 HA ARG 3 HA ARG 3 5.494 -7.388 5.139
310 1HB ARG 3 1HB ARG 3 6.761 -9.461 3.901
311 2HB ARG 3 2HB ARG 3 6.259 -8.467 2.584
312 1HG ARG 3 1HG ARG 3 7.543 -7.210 5.155
313 2HG ARG 3 2HG ARG 3 8.495 -7.737 3.846
314 1HD ARG 3 1HD ARG 3 7.406 -6.105 2.221
315 2HD ARG 3 2HD ARG 3 6.234 -5.637 3.426
316 HE ARG 3 HE ARG 3 7.771 -4.151 4.321
317 1HH1 ARG 3 2HH1 ARG 3 9.513 -6.607 2.673
318 2HH1 ARG 3 1HH1 ARG 3 10.984 -5.780 2.718
319 1HH2 ARG 3 2HH2 ARG 3 9.805 -3.395 4.964
320 2HH2 ARG 3 1HH2 ARG 3 11.294 -4.031 4.386
321 H ARG 4 H ARG 4 2.798 -7.925 5.004
322 HA ARG 4 HA ARG 4 1.840 -6.024 2.987
323 1HB ARG 4 1HB ARG 4 0.597 -8.904 3.249
324 2HB ARG 4 2HB ARG 4 -0.171 -7.637 2.466
325 1HG ARG 4 1HG ARG 4 2.370 -9.084 1.544
326 2HG ARG 4 2HG ARG 4 0.851 -9.298 0.983
327 1HD ARG 4 1HD ARG 4 2.124 -6.444 0.754
328 2HD ARG 4 2HD ARG 4 3.134 -7.724 0.140
329 HE ARG 4 HE ARG 4 1.994 -7.852 -1.638
330 1HH1 ARG 4 2HH1 ARG 4 -0.767 -7.266 0.598
331 2HH1 ARG 4 1HH1 ARG 4 -1.862 -7.494 -0.648
332 1HH2 ARG 4 2HH2 ARG 4 0.292 -7.564 -3.241
333 2HH2 ARG 4 1HH2 ARG 4 -1.290 -7.976 -2.588
334 H THR 5 H THR 5 -0.748 -5.549 3.373
335 HA THR 5 HA THR 5 -1.140 -5.224 6.188
336 HB THR 5 HB THR 5 -1.471 -3.349 4.783
337 HG1 THR 5 HG1 THR 5 -3.416 -2.766 5.761
338 1HG2 THR 5 1HG2 THR 5 -3.689 -5.101 3.698
339 2HG2 THR 5 2HG2 THR 5 -2.301 -4.372 2.803
340 3HG2 THR 5 3HG2 THR 5 -3.546 -3.343 3.401
341 H ARG 6 H ARG 6 -3.202 -5.883 7.300
342 HA ARG 6 HA ARG 6 -3.788 -8.766 6.621
343 1HB ARG 6 1HB ARG 6 -4.283 -9.268 8.578
344 2HB ARG 6 2HB ARG 6 -3.084 -7.952 8.696
345 1HG ARG 6 1HG ARG 6 -5.224 -6.494 9.149
346 2HG ARG 6 2HG ARG 6 -6.016 -8.023 9.479
347 1HD ARG 6 1HD ARG 6 -4.566 -8.507 11.424
348 2HD ARG 6 2HD ARG 6 -3.410 -7.236 10.835
349 HE ARG 6 HE ARG 6 -4.765 -5.627 11.747
350 1HH1 ARG 6 2HH1 ARG 6 -6.993 -8.456 11.317
351 2HH1 ARG 6 1HH1 ARG 6 -8.303 -7.531 11.847
352 1HH2 ARG 6 2HH2 ARG 6 -6.542 -4.590 12.403
353 2HH2 ARG 6 1HH2 ARG 6 -8.079 -5.405 12.275
354 H THR 7 H THR 7 -5.169 -6.128 5.372
355 HA THR 7 HA THR 7 -7.995 -6.740 5.532
356 HB THR 7 HB THR 7 -6.620 -4.475 4.088
357 HG1 THR 7 HG1 THR 7 -7.461 -4.580 6.847
358 1HG2 THR 7 1HG2 THR 7 -8.806 -3.345 4.353
359 2HG2 THR 7 2HG2 THR 7 -9.509 -4.523 5.439
360 3HG2 THR 7 3HG2 THR 7 -9.245 -4.855 3.702
361 H THR 8 H THR 8 -9.215 -7.052 3.584
362 HA THR 8 HA THR 8 -8.154 -7.296 0.921
363 HB THR 8 HB THR 8 -9.078 -9.813 2.482
364 HG1 THR 8 HG1 THR 8 -6.923 -9.748 2.904
365 1HG2 THR 8 1HG2 THR 8 -9.030 -10.857 0.307
366 2HG2 THR 8 2HG2 THR 8 -7.800 -9.578 -0.261
367 3HG2 THR 8 3HG2 THR 8 -9.464 -9.232 -0.240
368 H PHE 9 H PHE 9 -9.622 -5.786 0.404
369 HA PHE 9 HA PHE 9 -11.930 -5.115 1.661
370 1HB PHE 9 1HB PHE 9 -11.263 -4.821 -1.342
371 2HB PHE 9 2HB PHE 9 -12.290 -3.800 -0.490
372 HD1 PHE 9 HD1 PHE 9 -9.371 -3.584 -1.807
373 HD2 PHE 9 HD2 PHE 9 -10.995 -3.086 2.027
374 HE1 PHE 9 HE1 PHE 9 -7.562 -1.932 -1.380
375 HE2 PHE 9 HE2 PHE 9 -9.350 -1.388 2.521
376 HZ PHE 9 HZ PHE 9 -7.460 -0.800 0.920
377 H THR 10 H THR 10 -14.102 -5.275 1.459
378 HA THR 10 HA THR 10 -15.254 -7.715 0.102
379 HB THR 10 HB THR 10 -17.014 -7.426 1.953
380 HG1 THR 10 HG1 THR 10 -16.960 -5.799 3.251
381 1HG2 THR 10 1HG2 THR 10 -14.837 -8.582 2.508
382 2HG2 THR 10 2HG2 THR 10 -15.885 -7.941 3.791
383 3HG2 THR 10 3HG2 THR 10 -14.306 -7.174 3.350
384 H SER 11 H SER 11 -17.636 -7.339 -0.640
385 HA SER 11 HA SER 11 -17.836 -5.453 -2.753
386 1HB SER 11 1HB SER 11 -19.997 -6.747 -1.298
387 2HB SER 11 2HB SER 11 -20.159 -6.088 -2.906
388 HG SER 11 HG SER 11 -19.926 -8.127 -3.090
389 H SER 12 H SER 12 -19.104 -5.374 0.549
390 HA SER 12 HA SER 12 -20.425 -2.957 0.541
391 1HB SER 12 1HB SER 12 -19.199 -4.751 2.718
392 2HB SER 12 2HB SER 12 -19.849 -3.170 3.125
393 HG SER 12 HG SER 12 -21.574 -4.391 3.170
394 H GLN 13 H GLN 13 -16.969 -3.547 1.048
395 HA GLN 13 HA GLN 13 -16.305 -0.886 2.205
396 1HB GLN 13 1HB GLN 13 -14.527 -3.255 1.487
397 2HB GLN 13 2HB GLN 13 -14.101 -1.628 2.189
398 1HG GLN 13 1HG GLN 13 -15.562 -1.891 4.034
399 2HG GLN 13 2HG GLN 13 -16.024 -3.545 3.592
400 1HE2 GLN 13 1HE2 GLN 13 -14.501 -2.142 5.904
401 2HE2 GLN 13 2HE2 GLN 13 -12.852 -2.808 5.762
402 H ILE 14 H ILE 14 -15.772 -2.727 -0.839
403 HA ILE 14 HA ILE 14 -14.829 -0.416 -2.253
404 HB ILE 14 HB ILE 14 -16.463 -2.691 -3.290
405 1HG1 ILE 14 1HG1 ILE 14 -13.409 -2.256 -3.515
406 2HG1 ILE 14 2HG1 ILE 14 -14.222 -3.317 -2.324
407 1HG2 ILE 14 1HG2 ILE 14 -14.537 -0.903 -4.899
408 2HG2 ILE 14 2HG2 ILE 14 -15.596 -2.004 -5.667
409 3HG2 ILE 14 3HG2 ILE 14 -16.368 -0.641 -4.846
410 1HD1 ILE 14 1HD1 ILE 14 -13.215 -4.612 -4.011
411 2HD1 ILE 14 2HD1 ILE 14 -14.972 -4.844 -3.890
412 3HD1 ILE 14 3HD1 ILE 14 -14.163 -3.906 -5.272
413 H ALA 15 H ALA 15 -18.085 -1.465 -1.320
414 HA ALA 15 HA ALA 15 -19.675 0.530 -2.787
415 1HB ALA 15 1HB ALA 15 -21.478 0.138 -1.446
416 2HB ALA 15 2HB ALA 15 -20.677 -1.466 -1.680
417 3HB ALA 15 3HB ALA 15 -20.440 -0.691 -0.184
418 H GLU 16 H GLU 16 -18.408 0.717 0.713
419 HA GLU 16 HA GLU 16 -19.403 3.283 0.971
420 1HB GLU 16 1HB GLU 16 -17.346 1.668 2.363
421 2HB GLU 16 2HB GLU 16 -17.280 3.363 2.779
422 1HG GLU 16 1HG GLU 16 -19.122 1.163 3.554
423 2HG GLU 16 2HG GLU 16 -18.098 2.351 4.403
424 H LEU 17 H LEU 17 -16.166 1.968 0.068
425 HA LEU 17 HA LEU 17 -14.708 4.380 -0.090
426 1HB LEU 17 1HB LEU 17 -14.327 1.685 -1.395
427 2HB LEU 17 2HB LEU 17 -13.316 3.107 -1.879
428 HG LEU 17 HG LEU 17 -13.849 2.249 0.959
429 1HD1 LEU 17 1HD1 LEU 17 -12.834 0.279 0.274
430 2HD1 LEU 17 2HD1 LEU 17 -12.038 1.073 1.525
431 3HD1 LEU 17 3HD1 LEU 17 -11.363 1.301 -0.137
432 1HD2 LEU 17 1HD2 LEU 17 -12.610 4.471 0.695
433 2HD2 LEU 17 2HD2 LEU 17 -11.290 3.657 -0.249
434 3HD2 LEU 17 3HD2 LEU 17 -11.558 3.380 1.478
435 H GLU 18 H GLU 18 -16.574 2.890 -2.816
436 HA GLU 18 HA GLU 18 -16.277 5.015 -4.688
437 1HB GLU 18 1HB GLU 18 -18.271 2.792 -4.189
438 2HB GLU 18 2HB GLU 18 -18.545 4.030 -5.448
439 1HG GLU 18 1HG GLU 18 -15.921 3.156 -5.990
440 2HG GLU 18 2HG GLU 18 -16.690 1.731 -5.241
441 H GLN 19 H GLN 19 -18.931 4.329 -2.416
442 HA GLN 19 HA GLN 19 -20.408 6.739 -3.111
443 1HB GLN 19 1HB GLN 19 -20.321 4.913 -0.626
444 2HB GLN 19 2HB GLN 19 -21.250 6.460 -0.667
445 1HG GLN 19 1HG GLN 19 -21.462 4.330 -2.851
446 2HG GLN 19 2HG GLN 19 -22.381 4.186 -1.382
447 1HE2 GLN 19 1HE2 GLN 19 -22.541 5.503 -4.499
448 2HE2 GLN 19 2HE2 GLN 19 -23.722 6.648 -4.201
449 H HIS 20 H HIS 20 -17.756 6.630 -0.504
450 HA HIS 20 HA HIS 20 -18.274 9.488 -0.091
451 1HB HIS 20 1HB HIS 20 -16.488 7.503 1.148
452 2HB HIS 20 2HB HIS 20 -16.660 9.296 1.529
453 HD1 HIS 20 HD1 HIS 20 -19.195 10.063 2.144
454 HD2 HIS 20 HD2 HIS 20 -18.438 5.875 2.190
455 HE1 HIS 20 HE1 HIS 20 -21.299 8.891 3.185
456 H PHE 21 H PHE 21 -16.014 7.460 -2.008
457 HA PHE 21 HA PHE 21 -14.449 9.512 -2.977
458 1HB PHE 21 1HB PHE 21 -13.753 7.696 -4.096
459 2HB PHE 21 2HB PHE 21 -15.331 6.909 -4.254
460 HD1 PHE 21 HD1 PHE 21 -16.783 7.905 -6.056
461 HD2 PHE 21 HD2 PHE 21 -12.632 8.612 -5.910
462 HE1 PHE 21 HE1 PHE 21 -16.730 8.305 -8.536
463 HE2 PHE 21 HE2 PHE 21 -12.557 9.073 -8.423
464 HZ PHE 21 HZ PHE 21 -14.699 8.758 -9.721
465 H LEU 22 H LEU 22 -17.752 8.790 -4.165
466 HA LEU 22 HA LEU 22 -18.083 10.738 -6.160
467 1HB LEU 22 1HB LEU 22 -20.234 10.121 -4.030
468 2HB LEU 22 2HB LEU 22 -20.499 10.935 -5.634
469 HG LEU 22 HG LEU 22 -19.446 8.065 -5.209
470 1HD1 LEU 22 1HD1 LEU 22 -21.866 7.683 -5.844
471 2HD1 LEU 22 2HD1 LEU 22 -22.207 9.303 -5.478
472 3HD1 LEU 22 3HD1 LEU 22 -21.670 8.233 -4.128
473 1HD2 LEU 22 1HD2 LEU 22 -19.020 8.378 -7.427
474 2HD2 LEU 22 2HD2 LEU 22 -20.262 9.660 -7.548
475 3HD2 LEU 22 3HD2 LEU 22 -20.779 8.034 -7.557
476 H GLN 23 H GLN 23 -17.850 11.408 -2.717
477 HA GLN 23 HA GLN 23 -18.436 14.236 -3.028
478 1HB GLN 23 1HB GLN 23 -17.188 12.845 -0.617
479 2HB GLN 23 2HB GLN 23 -18.277 14.200 -0.542
480 1HG GLN 23 1HG GLN 23 -19.060 11.260 -1.204
481 2HG GLN 23 2HG GLN 23 -19.377 12.325 0.191
482 1HE2 GLN 23 1HE2 GLN 23 -21.258 11.135 -2.060
483 2HE2 GLN 23 2HE2 GLN 23 -22.305 12.486 -2.401
484 H GLY 24 H GLY 24 -15.479 12.338 -3.208
485 1HA GLY 24 1HA GLY 24 -13.824 14.693 -3.381
486 2HA GLY 24 2HA GLY 24 -13.552 13.823 -1.861
487 H ARG 25 H ARG 25 -12.933 13.824 -5.143
488 HA ARG 25 HA ARG 25 -12.974 11.002 -5.471
489 1HB ARG 25 1HB ARG 25 -11.887 12.985 -7.423
490 2HB ARG 25 2HB ARG 25 -12.308 11.253 -7.770
491 1HG ARG 25 1HG ARG 25 -14.623 11.926 -7.063
492 2HG ARG 25 2HG ARG 25 -14.047 13.585 -6.840
493 1HD ARG 25 1HD ARG 25 -13.535 13.897 -9.048
494 2HD ARG 25 2HD ARG 25 -13.822 12.196 -9.451
495 HE ARG 25 HE ARG 25 -15.883 14.200 -8.610
496 1HH1 ARG 25 2HH1 ARG 25 -15.316 11.244 -10.366
497 2HH1 ARG 25 1HH1 ARG 25 -17.025 10.822 -10.193
498 1HH2 ARG 25 2HH2 ARG 25 -18.070 13.761 -9.080
499 2HH2 ARG 25 1HH2 ARG 25 -18.580 12.218 -9.651
500 H TYR 26 H TYR 26 -10.448 12.770 -4.188
501 HA TYR 26 HA TYR 26 -8.920 10.409 -3.828
502 1HB TYR 26 1HB TYR 26 -6.916 11.026 -4.807
503 2HB TYR 26 2HB TYR 26 -7.960 11.390 -6.037
504 HD1 TYR 26 HD1 TYR 26 -5.156 12.598 -4.813
505 HD2 TYR 26 HD2 TYR 26 -9.112 14.083 -5.715
506 HE1 TYR 26 HE1 TYR 26 -4.282 14.965 -4.890
507 HE2 TYR 26 HE2 TYR 26 -8.212 16.285 -5.972
508 HH TYR 26 HH TYR 26 -4.843 17.156 -5.713
509 H LEU 27 H LEU 27 -7.193 10.898 -2.047
510 HA LEU 27 HA LEU 27 -8.929 12.057 0.024
511 1HB LEU 27 1HB LEU 27 -6.383 10.336 0.283
512 2HB LEU 27 2HB LEU 27 -7.459 10.749 1.558
513 HG LEU 27 HG LEU 27 -8.375 9.085 -0.714
514 1HD1 LEU 27 1HD1 LEU 27 -8.329 8.012 2.070
515 2HD1 LEU 27 2HD1 LEU 27 -6.730 8.362 1.260
516 3HD1 LEU 27 3HD1 LEU 27 -7.797 7.279 0.562
517 1HD2 LEU 27 1HD2 LEU 27 -10.232 8.656 0.623
518 2HD2 LEU 27 2HD2 LEU 27 -10.161 10.441 0.111
519 3HD2 LEU 27 3HD2 LEU 27 -9.836 9.870 1.812
520 H THR 28 H THR 28 -7.938 12.640 1.814
521 HA THR 28 HA THR 28 -5.619 14.342 2.135
522 HB THR 28 HB THR 28 -6.891 16.292 3.167
523 HG1 THR 28 HG1 THR 28 -9.134 15.417 1.586
524 1HG2 THR 28 1HG2 THR 28 -5.873 16.241 0.987
525 2HG2 THR 28 2HG2 THR 28 -6.995 17.569 1.199
526 3HG2 THR 28 3HG2 THR 28 -7.398 16.040 0.236
527 H ALA 29 H ALA 29 -5.292 14.675 4.670
528 HA ALA 29 HA ALA 29 -5.857 12.497 6.314
529 1HB ALA 29 1HB ALA 29 -4.173 14.200 6.815
530 2HB ALA 29 2HB ALA 29 -5.547 15.309 7.246
531 3HB ALA 29 3HB ALA 29 -5.150 13.652 8.076
532 HA PRO 30 HA PRO 30 -10.020 14.311 7.928
533 1HB PRO 30 1HB PRO 30 -11.482 15.768 6.212
534 2HB PRO 30 2HB PRO 30 -10.511 16.418 7.523
535 1HG PRO 30 1HG PRO 30 -9.359 16.285 4.746
536 2HG PRO 30 2HG PRO 30 -9.429 17.653 5.925
537 1HD PRO 30 1HD PRO 30 -7.204 16.261 5.851
538 2HD PRO 30 2HD PRO 30 -7.952 16.467 7.359
539 H ARG 31 H ARG 31 -9.588 13.831 4.525
540 HA ARG 31 HA ARG 31 -12.142 12.598 4.183
541 1HB ARG 31 1HB ARG 31 -10.136 13.725 2.515
542 2HB ARG 31 2HB ARG 31 -10.222 12.139 2.070
543 1HG ARG 31 1HG ARG 31 -11.759 13.056 0.732
544 2HG ARG 31 2HG ARG 31 -12.902 12.609 2.114
545 1HD ARG 31 1HD ARG 31 -12.262 15.154 2.952
546 2HD ARG 31 2HD ARG 31 -12.081 15.272 1.193
547 HE ARG 31 HE ARG 31 -14.517 14.325 2.599
548 1HH1 ARG 31 2HH1 ARG 31 -13.112 16.818 0.804
549 2HH1 ARG 31 1HH1 ARG 31 -14.509 17.134 -0.261
550 1HH2 ARG 31 2HH2 ARG 31 -16.537 15.061 1.316
551 2HH2 ARG 31 1HH2 ARG 31 -16.203 16.097 -0.059
552 H LEU 32 H LEU 32 -8.818 11.358 3.994
553 HA LEU 32 HA LEU 32 -9.342 8.652 3.962
554 1HB LEU 32 1HB LEU 32 -7.209 9.701 3.615
555 2HB LEU 32 2HB LEU 32 -7.199 10.416 5.195
556 HG LEU 32 HG LEU 32 -7.019 7.900 6.023
557 1HD1 LEU 32 1HD1 LEU 32 -6.765 7.106 3.533
558 2HD1 LEU 32 2HD1 LEU 32 -5.126 7.042 4.288
559 3HD1 LEU 32 3HD1 LEU 32 -5.519 8.403 3.308
560 1HD2 LEU 32 1HD2 LEU 32 -4.815 9.685 5.145
561 2HD2 LEU 32 2HD2 LEU 32 -4.571 8.207 6.069
562 3HD2 LEU 32 3HD2 LEU 32 -5.615 9.517 6.747
563 H ALA 33 H ALA 33 -9.114 10.761 6.988
564 HA ALA 33 HA ALA 33 -9.387 8.684 8.837
565 1HB ALA 33 1HB ALA 33 -10.120 10.527 10.419
566 2HB ALA 33 2HB ALA 33 -8.621 10.827 9.749
567 3HB ALA 33 3HB ALA 33 -10.025 11.678 9.125
568 H ASP 34 H ASP 34 -11.780 10.925 7.524
569 HA ASP 34 HA ASP 34 -13.973 10.046 8.900
570 1HB ASP 34 1HB ASP 34 -13.947 12.098 7.720
571 2HB ASP 34 2HB ASP 34 -14.118 11.340 6.093
572 H LEU 35 H LEU 35 -13.159 8.875 5.506
573 HA LEU 35 HA LEU 35 -15.141 6.764 5.467
574 1HB LEU 35 1HB LEU 35 -13.278 7.921 3.768
575 2HB LEU 35 2HB LEU 35 -12.518 6.365 4.040
576 HG LEU 35 HG LEU 35 -13.980 5.300 2.634
577 1HD1 LEU 35 1HD1 LEU 35 -16.178 5.672 2.130
578 2HD1 LEU 35 2HD1 LEU 35 -16.356 6.943 3.424
579 3HD1 LEU 35 3HD1 LEU 35 -15.857 5.242 3.834
580 1HD2 LEU 35 1HD2 LEU 35 -12.962 7.073 1.410
581 2HD2 LEU 35 2HD2 LEU 35 -14.414 8.189 1.690
582 3HD2 LEU 35 3HD2 LEU 35 -14.398 6.839 0.645
583 H SER 36 H SER 36 -11.725 6.761 6.808
584 HA SER 36 HA SER 36 -11.656 4.029 6.940
585 1HB SER 36 1HB SER 36 -9.846 4.208 8.639
586 2HB SER 36 2HB SER 36 -9.708 5.434 7.388
587 HG SER 36 HG SER 36 -10.941 6.762 9.021
588 H ALA 37 H ALA 37 -13.157 6.500 8.959
589 HA ALA 37 HA ALA 37 -13.876 4.981 11.208
590 1HB ALA 37 1HB ALA 37 -15.090 7.568 10.284
591 2HB ALA 37 2HB ALA 37 -15.469 6.839 11.832
592 3HB ALA 37 3HB ALA 37 -13.749 7.337 11.423
593 H LYS 38 H LYS 38 -15.688 5.976 8.264
594 HA LYS 38 HA LYS 38 -18.082 4.518 8.765
595 1HB LYS 38 1HB LYS 38 -16.830 5.386 6.078
596 2HB LYS 38 2HB LYS 38 -18.504 4.870 6.308
597 1HG LYS 38 1HG LYS 38 -18.379 6.842 8.264
598 2HG LYS 38 2HG LYS 38 -17.353 7.511 7.051
599 1HD LYS 38 1HD LYS 38 -19.346 8.282 6.445
600 2HD LYS 38 2HD LYS 38 -18.829 7.118 5.216
601 1HE LYS 38 1HE LYS 38 -20.232 5.568 7.006
602 2HE LYS 38 2HE LYS 38 -21.015 7.166 7.274
603 1HZ LYS 38 1HZ LYS 38 -21.003 5.605 4.828
604 2HZ LYS 38 2HZ LYS 38 -21.430 7.308 5.027
605 3HZ LYS 38 3HZ LYS 38 -22.327 6.136 5.660
606 H LEU 39 H LEU 39 -15.509 3.563 6.437
607 HA LEU 39 HA LEU 39 -16.334 0.872 5.868
608 1HB LEU 39 1HB LEU 39 -13.573 2.342 5.957
609 2HB LEU 39 2HB LEU 39 -13.804 0.756 5.276
610 HG LEU 39 HG LEU 39 -15.224 2.974 3.927
611 1HD1 LEU 39 1HD1 LEU 39 -12.792 3.396 4.371
612 2HD1 LEU 39 2HD1 LEU 39 -13.151 3.385 2.732
613 3HD1 LEU 39 3HD1 LEU 39 -12.384 1.908 3.466
614 1HD2 LEU 39 1HD2 LEU 39 -13.970 0.552 2.744
615 2HD2 LEU 39 2HD2 LEU 39 -15.379 1.332 2.183
616 3HD2 LEU 39 3HD2 LEU 39 -15.609 0.485 3.658
617 H ALA 40 H ALA 40 -14.668 2.106 8.452
618 HA ALA 40 HA ALA 40 -14.186 0.955 10.551
619 1HB ALA 40 1HB ALA 40 -15.644 -1.408 9.425
620 2HB ALA 40 2HB ALA 40 -15.045 -1.077 11.102
621 3HB ALA 40 3HB ALA 40 -16.305 -0.105 10.480
622 H LEU 41 H LEU 41 -12.352 1.415 8.882
623 HA LEU 41 HA LEU 41 -10.446 -0.835 8.850
624 1HB LEU 41 1HB LEU 41 -11.122 1.097 6.604
625 2HB LEU 41 2HB LEU 41 -9.587 0.308 6.740
626 HG LEU 41 HG LEU 41 -12.314 -0.794 6.125
627 1HD1 LEU 41 1HD1 LEU 41 -11.086 0.095 4.308
628 2HD1 LEU 41 2HD1 LEU 41 -11.242 -1.657 4.170
629 3HD1 LEU 41 3HD1 LEU 41 -9.675 -1.050 4.710
630 1HD2 LEU 41 1HD2 LEU 41 -11.155 -3.218 6.016
631 2HD2 LEU 41 2HD2 LEU 41 -11.279 -2.501 7.621
632 3HD2 LEU 41 3HD2 LEU 41 -9.775 -2.401 6.742
633 H GLY 42 H GLY 42 -8.148 -0.055 8.415
634 1HA GLY 42 1HA GLY 42 -7.503 2.256 10.067
635 2HA GLY 42 2HA GLY 42 -6.283 1.228 9.275
636 H THR 43 H THR 43 -6.153 3.997 9.238
637 HA THR 43 HA THR 43 -7.610 5.348 7.097
638 HB THR 43 HB THR 43 -5.498 7.133 7.466
639 HG1 THR 43 HG1 THR 43 -4.506 6.699 9.250
640 1HG2 THR 43 1HG2 THR 43 -7.790 6.634 9.357
641 2HG2 THR 43 2HG2 THR 43 -7.951 7.520 7.934
642 3HG2 THR 43 3HG2 THR 43 -6.840 8.253 9.072
643 H ALA 44 H ALA 44 -4.676 3.426 7.179
644 HA ALA 44 HA ALA 44 -3.542 4.636 4.827
645 1HB ALA 44 1HB ALA 44 -2.013 2.670 4.914
646 2HB ALA 44 2HB ALA 44 -2.082 3.550 6.401
647 3HB ALA 44 3HB ALA 44 -2.924 1.898 6.146
648 H GLN 45 H GLN 45 -5.587 1.815 5.440
649 HA GLN 45 HA GLN 45 -5.671 0.807 2.743
650 1HB GLN 45 1HB GLN 45 -7.381 0.597 5.227
651 2HB GLN 45 2HB GLN 45 -8.071 0.178 3.754
652 1HG GLN 45 1HG GLN 45 -7.207 -1.736 4.804
653 2HG GLN 45 2HG GLN 45 -6.191 -1.563 3.465
654 1HE2 GLN 45 1HE2 GLN 45 -6.323 -1.481 6.960
655 2HE2 GLN 45 2HE2 GLN 45 -4.753 -0.939 7.352
656 H VAL 46 H VAL 46 -7.155 3.655 3.954
657 HA VAL 46 HA VAL 46 -9.277 3.686 1.902
658 HB VAL 46 HB VAL 46 -8.525 6.195 3.379
659 1HG1 VAL 46 1HG1 VAL 46 -9.953 6.571 1.448
660 2HG1 VAL 46 2HG1 VAL 46 -11.041 5.295 2.165
661 3HG1 VAL 46 3HG1 VAL 46 -10.610 6.780 3.033
662 1HG2 VAL 46 1HG2 VAL 46 -10.337 5.434 5.137
663 2HG2 VAL 46 2HG2 VAL 46 -10.138 3.779 4.416
664 3HG2 VAL 46 3HG2 VAL 46 -8.867 4.613 5.152
665 H LYS 47 H LYS 47 -6.252 5.654 2.538
666 HA LYS 47 HA LYS 47 -5.671 6.711 0.058
667 1HB LYS 47 1HB LYS 47 -4.402 6.195 2.604
668 2HB LYS 47 2HB LYS 47 -3.376 5.593 1.482
669 1HG LYS 47 1HG LYS 47 -3.278 7.675 0.267
670 2HG LYS 47 2HG LYS 47 -4.594 8.392 1.098
671 1HD LYS 47 1HD LYS 47 -2.081 8.801 1.863
672 2HD LYS 47 2HD LYS 47 -3.494 9.027 2.884
673 1HE LYS 47 1HE LYS 47 -3.092 7.210 4.158
674 2HE LYS 47 2HE LYS 47 -1.911 6.489 2.932
675 1HZ LYS 47 1HZ LYS 47 -0.700 7.467 4.670
676 2HZ LYS 47 2HZ LYS 47 -1.336 8.968 4.443
677 3HZ LYS 47 3HZ LYS 47 -0.498 8.331 3.237
678 H ILE 48 H ILE 48 -4.515 3.542 1.153
679 HA ILE 48 HA ILE 48 -3.453 2.884 -1.473
680 HB ILE 48 HB ILE 48 -4.389 1.096 0.791
681 1HG1 ILE 48 1HG1 ILE 48 -2.368 2.877 1.085
682 2HG1 ILE 48 2HG1 ILE 48 -2.136 1.267 1.653
683 1HG2 ILE 48 1HG2 ILE 48 -4.298 -0.215 -1.119
684 2HG2 ILE 48 2HG2 ILE 48 -2.778 0.541 -1.605
685 3HG2 ILE 48 3HG2 ILE 48 -2.783 -0.702 -0.305
686 1HD1 ILE 48 1HD1 ILE 48 -0.712 0.707 -0.138
687 2HD1 ILE 48 2HD1 ILE 48 -1.160 2.245 -0.995
688 3HD1 ILE 48 3HD1 ILE 48 -0.125 2.211 0.477
689 H TRP 49 H TRP 49 -6.757 2.388 -0.259
690 HA TRP 49 HA TRP 49 -7.416 0.991 -2.794
691 1HB TRP 49 1HB TRP 49 -9.108 0.966 -0.739
692 2HB TRP 49 2HB TRP 49 -9.306 2.702 -0.847
693 HD1 TRP 49 HD1 TRP 49 -9.805 -0.426 -3.014
694 HE1 TRP 49 HE1 TRP 49 -11.763 -0.118 -4.513
695 HE3 TRP 49 HE3 TRP 49 -10.646 4.533 -2.226
696 HZ2 TRP 49 HZ2 TRP 49 -13.683 1.832 -5.216
697 HZ3 TRP 49 HZ3 TRP 49 -12.515 5.581 -3.343
698 HH2 TRP 49 HH2 TRP 49 -14.036 4.331 -4.890
699 H PHE 50 H PHE 50 -8.032 4.234 -1.808
700 HA PHE 50 HA PHE 50 -8.843 5.129 -4.323
701 1HB PHE 50 1HB PHE 50 -7.532 6.669 -1.915
702 2HB PHE 50 2HB PHE 50 -7.708 7.580 -3.355
703 HD1 PHE 50 HD1 PHE 50 -9.750 8.266 -4.377
704 HD2 PHE 50 HD2 PHE 50 -9.493 6.346 -0.562
705 HE1 PHE 50 HE1 PHE 50 -12.063 9.192 -3.668
706 HE2 PHE 50 HE2 PHE 50 -11.764 6.743 -0.113
707 HZ PHE 50 HZ PHE 50 -13.035 8.362 -1.546
708 H LYS 51 H LYS 51 -5.595 5.270 -3.182
709 HA LYS 51 HA LYS 51 -4.495 6.568 -5.397
710 1HB LYS 51 1HB LYS 51 -3.482 6.553 -3.043
711 2HB LYS 51 2HB LYS 51 -3.097 4.895 -3.213
712 1HG LYS 51 1HG LYS 51 -1.965 6.686 -5.345
713 2HG LYS 51 2HG LYS 51 -1.240 6.811 -3.690
714 1HD LYS 51 1HD LYS 51 -1.554 4.194 -5.256
715 2HD LYS 51 2HD LYS 51 -0.116 5.158 -5.353
716 1HE LYS 51 1HE LYS 51 -1.200 4.174 -2.714
717 2HE LYS 51 2HE LYS 51 -0.241 3.214 -3.628
718 1HZ LYS 51 1HZ LYS 51 0.553 5.895 -2.564
719 2HZ LYS 51 2HZ LYS 51 1.563 4.870 -3.526
720 3HZ LYS 51 3HZ LYS 51 1.204 4.441 -2.073
721 H ASN 52 H ASN 52 -4.389 3.005 -4.499
722 HA ASN 52 HA ASN 52 -3.166 2.037 -6.749
723 1HB ASN 52 1HB ASN 52 -3.936 -0.001 -6.371
724 2HB ASN 52 2HB ASN 52 -3.605 0.811 -4.767
725 1HD2 ASN 52 1HD2 ASN 52 -5.076 -0.579 -3.485
726 2HD2 ASN 52 2HD2 ASN 52 -6.675 -1.031 -4.172
727 H ARG 53 H ARG 53 -6.575 2.923 -6.271
728 HA ARG 53 HA ARG 53 -7.349 1.983 -8.786
729 1HB ARG 53 1HB ARG 53 -8.690 2.146 -6.690
730 2HB ARG 53 2HB ARG 53 -9.042 3.901 -6.923
731 1HG ARG 53 1HG ARG 53 -10.121 3.378 -9.048
732 2HG ARG 53 2HG ARG 53 -9.817 1.704 -8.673
733 1HD ARG 53 1HD ARG 53 -11.110 1.816 -6.575
734 2HD ARG 53 2HD ARG 53 -11.166 3.587 -6.728
735 HE ARG 53 HE ARG 53 -12.743 3.510 -8.461
736 1HH1 ARG 53 2HH2 ARG 53 -12.759 0.185 -6.873
737 2HH1 ARG 53 1HH2 ARG 53 -14.335 0.021 -7.486
738 1HH2 ARG 53 2HH1 ARG 53 -14.654 2.629 -9.337
739 2HH2 ARG 53 1HH1 ARG 53 -15.079 0.969 -8.979
740 H ARG 54 H ARG 54 -6.280 5.251 -7.765
741 HA ARG 54 HA ARG 54 -7.014 6.600 -10.268
742 1HB ARG 54 1HB ARG 54 -4.699 7.203 -8.352
743 2HB ARG 54 2HB ARG 54 -5.142 8.203 -9.703
744 1HG ARG 54 1HG ARG 54 -6.157 8.016 -7.092
745 2HG ARG 54 2HG ARG 54 -6.187 9.434 -8.133
746 1HD ARG 54 1HD ARG 54 -8.166 7.096 -8.373
747 2HD ARG 54 2HD ARG 54 -8.462 8.628 -7.508
748 HE ARG 54 HE ARG 54 -8.187 9.729 -9.762
749 1HH1 ARG 54 1HH1 ARG 54 -9.798 6.777 -9.145
750 2HH1 ARG 54 2HH1 ARG 54 -10.887 7.020 -10.456
751 1HH2 ARG 54 2HH2 ARG 54 -9.591 10.160 -11.414
752 2HH2 ARG 54 1HH2 ARG 54 -10.806 9.038 -11.682
753 H ARG 55 H ARG 55 -4.113 4.919 -9.083
754 HA ARG 55 HA ARG 55 -2.649 5.103 -11.591
755 1HB ARG 55 1HB ARG 55 -2.625 2.838 -9.579
756 2HB ARG 55 2HB ARG 55 -1.623 2.856 -10.991
757 1HG ARG 55 1HG ARG 55 -1.438 4.728 -8.658
758 2HG ARG 55 2HG ARG 55 -0.313 3.401 -9.120
759 1HD ARG 55 1HD ARG 55 -0.778 5.804 -10.809
760 2HD ARG 55 2HD ARG 55 0.584 5.569 -9.601
761 HE ARG 55 HE ARG 55 0.392 4.521 -12.279
762 1HH1 ARG 55 2HH1 ARG 55 1.742 3.423 -9.244
763 2HH1 ARG 55 1HH1 ARG 55 2.975 2.431 -10.036
764 1HH2 ARG 55 2HH2 ARG 55 2.169 3.433 -13.078
765 2HH2 ARG 55 1HH2 ARG 55 3.253 2.512 -12.024
766 H ARG 56 H ARG 56 -4.590 2.182 -10.600
767 HA ARG 56 HA ARG 56 -4.531 0.698 -12.893
768 1HB ARG 56 1HB ARG 56 -5.803 0.397 -10.593
769 2HB ARG 56 2HB ARG 56 -7.218 1.036 -11.415
770 1HG ARG 56 1HG ARG 56 -7.144 -0.877 -12.992
771 2HG ARG 56 2HG ARG 56 -5.514 -1.312 -12.338
772 1HD ARG 56 1HD ARG 56 -8.251 -1.547 -10.988
773 2HD ARG 56 2HD ARG 56 -7.291 -2.896 -11.630
774 HE ARG 56 HE ARG 56 -5.767 -2.893 -9.897
775 1HH1 ARG 56 2HH1 ARG 56 -7.997 -0.196 -9.560
776 2HH1 ARG 56 1HH1 ARG 56 -7.471 -0.069 -7.870
777 1HH2 ARG 56 2HH2 ARG 56 -5.207 -2.554 -7.966
778 2HH2 ARG 56 1HH2 ARG 56 -5.867 -1.283 -6.999
779 H HIS 57 H HIS 57 -6.752 3.460 -12.327
780 HA HIS 57 HA HIS 57 -8.366 3.227 -14.662
781 1HB HIS 57 1HB HIS 57 -9.330 4.187 -12.563
782 2HB HIS 57 2HB HIS 57 -8.029 5.363 -12.488
783 HD1 HIS 57 HD1 HIS 57 -8.253 7.495 -13.932
784 HD2 HIS 57 HD2 HIS 57 -10.772 4.410 -14.920
785 HE1 HIS 57 HE1 HIS 57 -10.130 8.524 -15.566
786 H LYS 58 H LYS 58 -5.714 5.296 -13.701
787 HA LYS 58 HA LYS 58 -5.697 6.718 -16.307
788 1HB LYS 58 1HB LYS 58 -3.760 8.003 -15.465
789 2HB LYS 58 2HB LYS 58 -4.857 7.644 -14.136
790 1HG LYS 58 1HG LYS 58 -3.221 5.934 -13.415
791 2HG LYS 58 2HG LYS 58 -2.292 6.099 -14.880
792 1HD LYS 58 1HD LYS 58 -2.054 8.481 -14.348
793 2HD LYS 58 2HD LYS 58 -2.864 8.098 -12.715
794 1HE LYS 58 1HE LYS 58 -0.641 7.526 -12.052
795 2HE LYS 58 2HE LYS 58 -1.266 6.079 -12.785
796 1HZ LYS 58 1HZ LYS 58 0.359 8.165 -13.992
797 2HZ LYS 58 2HZ LYS 58 -0.240 6.840 -14.786
798 3HZ LYS 58 3HZ LYS 58 0.954 6.615 -13.701
799 H ILE 59 H ILE 59 -3.977 3.837 -15.003
800 HA ILE 59 HA ILE 59 -2.117 3.503 -17.132
801 HB ILE 59 HB ILE 59 -3.324 1.627 -15.113
802 1HG1 ILE 59 1HG1 ILE 59 -0.374 2.305 -15.399
803 2HG1 ILE 59 2HG1 ILE 59 -1.481 3.359 -14.616
804 1HG2 ILE 59 1HG2 ILE 59 -3.195 0.258 -16.998
805 2HG2 ILE 59 2HG2 ILE 59 -1.389 0.842 -17.155
806 3HG2 ILE 59 3HG2 ILE 59 -2.000 -0.160 -15.792
807 1HD1 ILE 59 1HD1 ILE 59 -2.121 1.329 -13.113
808 2HD1 ILE 59 2HD1 ILE 59 -0.833 0.549 -13.985
809 3HD1 ILE 59 3HD1 ILE 59 -0.337 1.879 -12.978
810 H GLN 60 H GLN 60 -5.374 2.197 -16.677
811 HA GLN 60 HA GLN 60 -5.744 0.981 -19.128
812 1HB GLN 60 1HB GLN 60 -7.443 2.102 -16.800
813 2HB GLN 60 2HB GLN 60 -8.230 1.989 -18.368
814 1HG GLN 60 1HG GLN 60 -8.753 0.111 -17.147
815 2HG GLN 60 2HG GLN 60 -8.081 -0.202 -18.692
816 1HE2 GLN 60 1HE2 GLN 60 -7.612 -0.540 -15.305
817 2HE2 GLN 60 2HE2 GLN 60 -6.343 -1.806 -15.402
818 H SER 61 H SER 61 -6.293 4.388 -18.257
819 HA SER 61 HA SER 61 -7.353 4.878 -20.930
820 1HB SER 61 1HB SER 61 -6.304 6.972 -18.919
821 2HB SER 61 2HB SER 61 -7.516 7.141 -20.253
822 HG SER 61 HG SER 61 -7.716 5.646 -17.846
823 H ASP 62 H ASP 62 -4.163 4.319 -20.048
824 HA ASP 62 HA ASP 62 -2.830 6.289 -21.967
825 1HB ASP 62 1HB ASP 62 -2.791 6.756 -19.458
826 2HB ASP 62 2HB ASP 62 -2.045 5.174 -19.249
827 H GLN 63 H GLN 63 -2.693 3.001 -20.572
828 HA GLN 63 HA GLN 63 -0.178 2.295 -21.842
829 1HB GLN 63 1HB GLN 63 -1.261 1.249 -19.716
830 2HB GLN 63 2HB GLN 63 -2.456 0.645 -20.869
831 1HG GLN 63 1HG GLN 63 -0.868 -1.210 -20.443
832 2HG GLN 63 2HG GLN 63 -0.516 -0.724 -22.068
833 1HE2 GLN 63 1HE2 GLN 63 0.578 -0.486 -18.680
834 2HE2 GLN 63 2HE2 GLN 63 2.165 0.069 -19.162
835 H HIS 64 H HIS 64 -3.621 2.049 -22.722
836 HA HIS 64 HA HIS 64 -2.769 1.307 -25.362
837 1HB HIS 64 1HB HIS 64 -4.641 -0.535 -25.350
838 2HB HIS 64 2HB HIS 64 -3.285 -0.860 -24.236
839 HD1 HIS 64 HD1 HIS 64 -5.851 1.565 -22.738
840 HD2 HIS 64 HD2 HIS 64 -4.715 -2.482 -23.185
841 HE1 HIS 64 HE1 HIS 64 -7.227 0.223 -21.036
842 H LYS 65 H LYS 65 -4.238 1.872 -27.031
843 HA LYS 65 HA LYS 65 -5.978 3.073 -28.174
844 1HB LYS 65 1HB LYS 65 -6.842 0.901 -27.841
845 2HB LYS 65 2HB LYS 65 -7.692 1.489 -26.405
846 1HG LYS 65 1HG LYS 65 -8.735 3.229 -28.230
847 2HG LYS 65 2HG LYS 65 -7.800 2.234 -29.367
848 1HD LYS 65 1HD LYS 65 -9.277 0.226 -28.565
849 2HD LYS 65 2HD LYS 65 -10.118 1.479 -27.651
850 1HE LYS 65 1HE LYS 65 -10.599 2.509 -29.940
851 2HE LYS 65 2HE LYS 65 -9.775 1.028 -30.560
852 1HZ LYS 65 1HZ LYS 65 -11.442 -0.210 -30.432
853 2HZ LYS 65 2HZ LYS 65 -12.424 0.949 -30.338
854 3HZ LYS 65 3HZ LYS 65 -11.881 0.295 -28.872
855 H ASP 66 H ASP 66 -4.747 4.993 -26.537
856 HA ASP 66 HA ASP 66 -6.475 6.163 -24.574
857 1HB ASP 66 1HB ASP 66 -4.746 7.862 -24.408
858 2HB ASP 66 2HB ASP 66 -4.051 6.283 -24.507
859 H GLN 67 H GLN 67 -7.626 8.170 -24.697
860 HA GLN 67 HA GLN 67 -8.150 9.324 -27.376
861 1HB GLN 67 1HB GLN 67 -9.924 7.486 -27.030
862 2HB GLN 67 2HB GLN 67 -10.451 8.444 -25.628
863 1HG GLN 67 1HG GLN 67 -11.658 8.746 -27.846
864 2HG GLN 67 2HG GLN 67 -11.279 10.121 -26.903
865 1HE2 GLN 67 1HE2 GLN 67 -10.557 11.881 -28.427
866 2HE2 GLN 67 2HE2 GLN 67 -9.897 11.341 -29.988
867 H SER 68 H SER 68 -7.519 9.880 -24.079
868 HA SER 68 HA SER 68 -9.246 12.262 -23.942
869 1HB SER 68 1HB SER 68 -8.802 10.098 -21.891
870 2HB SER 68 2HB SER 68 -9.554 11.647 -21.556
871 HG SER 68 HG SER 68 -10.696 11.062 -23.649
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