Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
18070 | 2ddi RC | 6963 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 1H GLU 1 -7.724 -14.531 -9.250
2 2H GLU 1 2H GLU 1 -9.001 -13.602 -9.799
3 3H GLU 1 H GLU 1 -8.646 -13.671 -8.188
4 HA GLU 1 HA GLU 1 -7.094 -12.437 -10.345
5 1HB GLU 1 1HB GLU 1 -8.210 -11.217 -7.807
6 2HB GLU 1 2HB GLU 1 -7.311 -10.401 -9.093
7 1HG GLU 1 1HG GLU 1 -10.138 -11.412 -9.103
8 2HG GLU 1 2HG GLU 1 -9.491 -9.900 -9.749
9 H ALA 2 H ALA 2 -5.754 -11.048 -8.031
10 HA ALA 2 HA ALA 2 -3.547 -12.878 -7.445
11 1HB ALA 2 1HB ALA 2 -3.298 -10.395 -7.295
12 2HB ALA 2 2HB ALA 2 -4.493 -10.368 -5.978
13 3HB ALA 2 3HB ALA 2 -2.932 -11.182 -5.751
14 H GLU 3 H GLU 3 -3.258 -13.253 -4.809
15 HA GLU 3 HA GLU 3 -5.641 -14.801 -4.063
16 1HB GLU 3 1HB GLU 3 -3.119 -14.404 -2.438
17 2HB GLU 3 2HB GLU 3 -4.426 -15.541 -2.113
18 1HG GLU 3 1HG GLU 3 -2.429 -15.598 -4.390
19 2HG GLU 3 2HG GLU 3 -2.596 -16.754 -3.082
20 H ALA 4 H ALA 4 -4.511 -11.572 -3.607
21 HA ALA 4 HA ALA 4 -6.261 -11.051 -1.283
22 1HB ALA 4 1HB ALA 4 -5.475 -8.714 -1.605
23 2HB ALA 4 2HB ALA 4 -4.113 -9.822 -1.368
24 3HB ALA 4 3HB ALA 4 -4.501 -9.218 -2.997
25 H GLU 5 H GLU 5 -8.370 -11.206 -1.958
26 HA GLU 5 HA GLU 5 -9.132 -10.053 -4.610
27 1HB GLU 5 1HB GLU 5 -10.327 -12.459 -3.179
28 2HB GLU 5 2HB GLU 5 -10.953 -11.719 -4.669
29 1HG GLU 5 1HG GLU 5 -8.664 -12.067 -5.703
30 2HG GLU 5 2HG GLU 5 -8.229 -13.013 -4.279
31 H PHE 6 H PHE 6 -9.638 -9.852 -1.192
32 HA PHE 6 HA PHE 6 -12.267 -8.535 -1.381
33 1HB PHE 6 1HB PHE 6 -11.660 -9.698 0.715
34 2HB PHE 6 2HB PHE 6 -10.170 -8.762 0.838
35 HD1 PHE 6 1HD PHE 6 -10.183 -6.407 1.557
36 HD2 PHE 6 2HD PHE 6 -13.868 -8.639 1.182
37 HE1 PHE 6 1HE PHE 6 -11.392 -4.619 2.749
38 HE2 PHE 6 2HE PHE 6 -15.065 -6.839 2.401
39 HZ PHE 6 HZ PHE 6 -13.830 -4.825 3.182
40 H THR 7 H THR 7 -12.405 -6.204 -1.647
41 HA THR 7 HA THR 7 -9.909 -5.031 -2.664
42 HB THR 7 HB THR 7 -12.669 -3.800 -2.423
43 HG1 THR 7 1HG THR 7 -12.057 -5.714 -3.899
44 1HG2 THR 7 1HG2 THR 7 -10.250 -2.926 -4.082
45 2HG2 THR 7 2HG2 THR 7 -11.802 -2.084 -3.935
46 3HG2 THR 7 3HG2 THR 7 -10.703 -2.162 -2.556
47 H ASP 8 H ASP 8 -8.578 -4.886 -0.920
48 HA ASP 8 HA ASP 8 -9.373 -3.312 1.463
49 1HB ASP 8 1HB ASP 8 -7.798 -5.121 1.872
50 2HB ASP 8 2HB ASP 8 -6.765 -4.597 0.526
51 H ALA 9 H ALA 9 -7.744 -1.351 1.834
52 HA ALA 9 HA ALA 9 -8.061 0.572 -0.274
53 1HB ALA 9 1HB ALA 9 -7.607 1.237 2.081
54 2HB ALA 9 2HB ALA 9 -5.974 0.530 1.953
55 3HB ALA 9 3HB ALA 9 -6.421 1.921 0.950
56 H CYS 10 H CYS 10 -5.578 -1.892 0.351
57 HA CYS 10 HA CYS 10 -3.494 -0.712 -1.201
58 1HB CYS 10 1HB CYS 10 -2.305 -2.634 -0.753
59 2HB CYS 10 2HB CYS 10 -3.461 -2.637 0.546
60 H VAL 11 H VAL 11 -6.377 -2.463 -2.146
61 HA VAL 11 HA VAL 11 -5.425 -3.138 -4.824
62 HB VAL 11 HB VAL 11 -8.176 -3.257 -3.534
63 1HG1 VAL 11 1HG1 VAL 11 -8.288 -3.393 -6.030
64 2HG1 VAL 11 2HG1 VAL 11 -7.181 -4.787 -5.975
65 3HG1 VAL 11 3HG1 VAL 11 -8.789 -4.886 -5.235
66 1HG2 VAL 11 1HG2 VAL 11 -6.018 -5.396 -3.746
67 2HG2 VAL 11 2HG2 VAL 11 -6.688 -4.691 -2.260
68 3HG2 VAL 11 3HG2 VAL 11 -7.699 -5.714 -3.271
69 H LEU 12 H LEU 12 -6.813 -0.399 -3.227
70 HA LEU 12 HA LEU 12 -8.077 0.800 -5.528
71 1HB LEU 12 1HB LEU 12 -9.279 1.304 -3.896
72 2HB LEU 12 2HB LEU 12 -8.054 1.262 -2.622
73 HG LEU 12 HG LEU 12 -7.463 3.624 -3.349
74 1HD1 LEU 12 1HD1 LEU 12 -9.657 4.714 -4.497
75 2HD1 LEU 12 2HD1 LEU 12 -8.357 4.091 -5.490
76 3HD1 LEU 12 3HD1 LEU 12 -9.828 3.113 -5.218
77 1HD2 LEU 12 1HD2 LEU 12 -8.839 3.118 -1.405
78 2HD2 LEU 12 2HD2 LEU 12 -9.478 4.561 -2.211
79 3HD2 LEU 12 3HD2 LEU 12 -10.297 3.002 -2.410
80 HA PRO 13 HA PRO 13 -4.348 2.829 -6.933
81 1HB PRO 13 1HB PRO 13 -6.322 4.899 -7.853
82 2HB PRO 13 2HB PRO 13 -4.995 4.135 -8.774
83 1HG PRO 13 1HG PRO 13 -7.604 3.367 -9.140
84 2HG PRO 13 2HG PRO 13 -6.258 2.188 -9.193
85 1HD PRO 13 1HD PRO 13 -8.252 2.625 -6.976
86 2HD PRO 13 2HD PRO 13 -7.438 1.149 -7.479
87 H ALA 14 H ALA 14 -3.210 4.831 -6.482
88 HA ALA 14 HA ALA 14 -4.003 6.007 -3.875
89 1HB ALA 14 1HB ALA 14 -1.345 6.211 -5.351
90 2HB ALA 14 2HB ALA 14 -1.712 6.660 -3.665
91 3HB ALA 14 3HB ALA 14 -1.754 4.965 -4.138
92 H VAL 15 H VAL 15 -3.443 8.428 -3.641
93 HA VAL 15 HA VAL 15 -4.054 10.011 -6.054
94 HB VAL 15 HB VAL 15 -5.653 9.862 -3.482
95 1HG1 VAL 15 1HG1 VAL 15 -7.054 11.736 -4.294
96 2HG1 VAL 15 2HG1 VAL 15 -5.440 12.215 -3.816
97 3HG1 VAL 15 3HG1 VAL 15 -5.845 12.069 -5.552
98 1HG2 VAL 15 1HG2 VAL 15 -6.366 8.307 -5.294
99 2HG2 VAL 15 2HG2 VAL 15 -7.591 9.540 -4.995
100 3HG2 VAL 15 3HG2 VAL 15 -6.517 9.674 -6.408
101 H GLN 16 H GLN 16 -3.375 12.117 -5.820
102 HA GLN 16 HA GLN 16 -1.143 12.599 -3.977
103 1HB GLN 16 1HB GLN 16 -2.261 14.073 -6.377
104 2HB GLN 16 2HB GLN 16 -1.159 14.890 -5.254
105 1HG GLN 16 1HG GLN 16 0.554 13.279 -5.572
106 2HG GLN 16 2HG GLN 16 -0.499 12.190 -6.488
107 1HE2 GLN 16 1HE2 GLN 16 1.346 15.323 -6.667
108 2HE2 GLN 16 2HE2 GLN 16 1.415 15.215 -8.411
109 H GLY 17 H GLY 17 -4.154 14.357 -4.790
110 1HA GLY 17 1HA GLY 17 -5.704 14.985 -2.980
111 2HA GLY 17 2HA GLY 17 -4.282 15.421 -2.015
112 HA PRO 18 HA PRO 18 -5.651 18.992 -4.756
113 1HB PRO 18 1HB PRO 18 -6.701 20.723 -2.901
114 2HB PRO 18 2HB PRO 18 -7.635 19.398 -3.653
115 1HG PRO 18 1HG PRO 18 -6.254 19.402 -0.953
116 2HG PRO 18 2HG PRO 18 -7.920 18.874 -1.350
117 1HD PRO 18 1HD PRO 18 -5.847 17.101 -1.133
118 2HD PRO 18 2HD PRO 18 -7.156 16.864 -2.314
119 H CYS 19 H CYS 19 -3.416 18.483 -2.254
120 HA CYS 19 HA CYS 19 -2.425 21.170 -1.949
121 1HB CYS 19 1HB CYS 19 -1.342 18.469 -1.123
122 2HB CYS 19 2HB CYS 19 -0.501 19.946 -0.762
123 H ARG 20 H ARG 20 0.068 21.309 -2.101
124 HA ARG 20 HA ARG 20 0.874 20.814 -4.937
125 1HB ARG 20 1HB ARG 20 0.801 23.506 -3.519
126 2HB ARG 20 2HB ARG 20 1.791 23.144 -4.911
127 1HG ARG 20 1HG ARG 20 -0.068 24.199 -5.836
128 2HG ARG 20 2HG ARG 20 -0.283 22.496 -6.207
129 1HD ARG 20 1HD ARG 20 -2.385 23.633 -5.577
130 2HD ARG 20 2HD ARG 20 -2.024 22.300 -4.503
131 HE ARG 20 HE ARG 20 -0.962 24.806 -3.561
132 1HH1 ARG 20 2HH2 ARG 20 -3.905 22.774 -3.510
133 2HH1 ARG 20 1HH2 ARG 20 -4.664 23.635 -2.242
134 1HH2 ARG 20 2HH1 ARG 20 -1.970 25.938 -1.786
135 2HH2 ARG 20 1HH1 ARG 20 -3.506 25.425 -1.198
136 H GLY 21 H GLY 21 1.647 20.089 -2.036
137 1HA GLY 21 1HA GLY 21 4.600 20.548 -2.137
138 2HA GLY 21 2HA GLY 21 3.690 20.100 -0.655
139 H TRP 22 H TRP 22 5.798 18.371 -1.972
140 HA TRP 22 HA TRP 22 4.071 16.153 -2.896
141 1HB TRP 22 1HB TRP 22 6.725 17.041 -4.047
142 2HB TRP 22 2HB TRP 22 5.810 15.644 -4.557
143 HD1 TRP 22 HD TRP 22 6.607 18.716 -5.888
144 HE1 TRP 22 1HE TRP 22 4.793 19.969 -7.177
145 HE3 TRP 22 3HE TRP 22 2.482 16.074 -4.329
146 HZ2 TRP 22 2HZ TRP 22 1.917 19.918 -7.429
147 HZ3 TRP 22 3HZ TRP 22 0.223 16.768 -5.054
148 HH2 TRP 22 HH TRP 22 -0.075 18.663 -6.606
149 H GLU 23 H GLU 23 4.090 14.804 -1.431
150 HA GLU 23 HA GLU 23 6.341 14.282 0.423
151 1HB GLU 23 1HB GLU 23 4.241 15.100 1.367
152 2HB GLU 23 2HB GLU 23 3.301 13.887 0.506
153 1HG GLU 23 1HG GLU 23 3.398 13.238 2.747
154 2HG GLU 23 2HG GLU 23 4.346 12.104 1.803
155 HA PRO 24 HA PRO 24 6.471 10.416 -2.213
156 1HB PRO 24 1HB PRO 24 8.734 9.326 -1.165
157 2HB PRO 24 2HB PRO 24 8.766 10.684 -2.332
158 1HG PRO 24 1HG PRO 24 9.000 10.819 0.690
159 2HG PRO 24 2HG PRO 24 10.024 11.629 -0.538
160 1HD PRO 24 1HD PRO 24 7.975 12.902 0.710
161 2HD PRO 24 2HD PRO 24 8.349 13.231 -1.005
162 H ARG 25 H ARG 25 5.221 8.789 -1.811
163 HA ARG 25 HA ARG 25 5.367 7.386 0.796
164 1HB ARG 25 1HB ARG 25 2.841 8.390 -0.589
165 2HB ARG 25 2HB ARG 25 2.796 7.091 0.605
166 1HG ARG 25 1HG ARG 25 3.845 9.900 1.155
167 2HG ARG 25 2HG ARG 25 2.243 9.297 1.556
168 1HD ARG 25 1HD ARG 25 3.206 7.536 2.967
169 2HD ARG 25 2HD ARG 25 4.841 8.098 2.628
170 HE ARG 25 HE ARG 25 2.814 9.357 4.317
171 1HH1 ARG 25 2HH2 ARG 25 5.981 9.828 2.653
172 2HH1 ARG 25 1HH2 ARG 25 6.337 11.258 3.502
173 1HH2 ARG 25 2HH1 ARG 25 3.448 11.263 5.558
174 2HH2 ARG 25 1HH1 ARG 25 4.868 12.106 5.071
175 H TRP 26 H TRP 26 3.910 5.271 0.459
176 HA TRP 26 HA TRP 26 4.800 4.037 -2.114
177 1HB TRP 26 1HB TRP 26 4.919 3.080 0.763
178 2HB TRP 26 2HB TRP 26 4.867 1.943 -0.579
179 HD1 TRP 26 HD TRP 26 7.120 4.729 0.858
180 HE1 TRP 26 1HE TRP 26 9.495 4.426 -0.039
181 HE3 TRP 26 3HE TRP 26 6.256 0.814 -2.266
182 HZ2 TRP 26 2HZ TRP 26 10.854 2.676 -1.968
183 HZ3 TRP 26 3HZ TRP 26 8.006 0.079 -3.880
184 HH2 TRP 26 HH TRP 26 10.316 0.836 -3.601
185 H ALA 27 H ALA 27 3.249 2.666 -3.126
186 HA ALA 27 HA ALA 27 0.720 2.209 -1.688
187 1HB ALA 27 1HB ALA 27 0.136 4.169 -2.973
188 2HB ALA 27 2HB ALA 27 0.870 3.483 -4.457
189 3HB ALA 27 3HB ALA 27 -0.581 2.761 -3.756
190 H TYR 28 H TYR 28 -0.296 0.349 -2.297
191 HA TYR 28 HA TYR 28 1.342 -1.616 -3.750
192 1HB TYR 28 1HB TYR 28 0.028 -2.174 -1.646
193 2HB TYR 28 2HB TYR 28 -1.432 -1.873 -2.549
194 HD1 TYR 28 1HD TYR 28 -2.280 -3.506 -4.204
195 HD2 TYR 28 2HD TYR 28 1.387 -4.250 -2.056
196 HE1 TYR 28 1HE TYR 28 -2.310 -5.859 -4.939
197 HE2 TYR 28 2HE TYR 28 1.434 -6.526 -2.881
198 HH TYR 28 HH TYR 28 0.123 -8.165 -3.799
199 H SER 29 H SER 29 0.829 -2.481 -5.727
200 HA SER 29 HA SER 29 -1.514 -1.381 -7.164
201 1HB SER 29 1HB SER 29 1.365 -1.598 -7.978
202 2HB SER 29 2HB SER 29 0.142 -1.550 -9.219
203 HG SER 29 HG SER 29 -0.282 0.140 -7.083
204 HA PRO 30 HA PRO 30 -2.063 -5.877 -7.139
205 1HB PRO 30 1HB PRO 30 -4.618 -5.957 -8.147
206 2HB PRO 30 2HB PRO 30 -4.256 -5.588 -6.431
207 1HG PRO 30 1HG PRO 30 -4.812 -3.643 -8.689
208 2HG PRO 30 2HG PRO 30 -5.491 -3.648 -7.038
209 1HD PRO 30 1HD PRO 30 -3.408 -2.057 -7.731
210 2HD PRO 30 2HD PRO 30 -3.495 -2.798 -6.107
211 H LEU 31 H LEU 31 -2.805 -3.615 -9.787
212 HA LEU 31 HA LEU 31 -2.585 -5.408 -11.963
213 1HB LEU 31 1HB LEU 31 -2.241 -2.439 -11.651
214 2HB LEU 31 2HB LEU 31 -1.929 -3.225 -13.196
215 HG LEU 31 HG LEU 31 -4.543 -3.655 -11.698
216 1HD1 LEU 31 1HD1 LEU 31 -3.885 -1.595 -13.827
217 2HD1 LEU 31 2HD1 LEU 31 -5.504 -1.944 -13.168
218 3HD1 LEU 31 3HD1 LEU 31 -4.250 -1.267 -12.111
219 1HD2 LEU 31 1HD2 LEU 31 -5.398 -4.238 -13.964
220 2HD2 LEU 31 2HD2 LEU 31 -3.770 -4.021 -14.637
221 3HD2 LEU 31 3HD2 LEU 31 -4.099 -5.325 -13.481
222 H LEU 32 H LEU 32 -0.102 -4.151 -9.866
223 HA LEU 32 HA LEU 32 2.041 -5.140 -11.700
224 1HB LEU 32 1HB LEU 32 1.910 -3.115 -9.462
225 2HB LEU 32 2HB LEU 32 3.442 -3.807 -9.897
226 HG LEU 32 HG LEU 32 1.678 -2.405 -11.942
227 1HD1 LEU 32 1HD1 LEU 32 3.993 -1.284 -10.302
228 2HD1 LEU 32 2HD1 LEU 32 3.218 -0.469 -11.679
229 3HD1 LEU 32 3HD1 LEU 32 2.283 -0.786 -10.217
230 1HD2 LEU 32 1HD2 LEU 32 4.638 -3.171 -11.972
231 2HD2 LEU 32 2HD2 LEU 32 3.353 -3.919 -12.940
232 3HD2 LEU 32 3HD2 LEU 32 3.798 -2.241 -13.235
233 H GLN 33 H GLN 33 0.092 -6.005 -9.120
234 HA GLN 33 HA GLN 33 0.123 -7.209 -7.314
235 1HB GLN 33 1HB GLN 33 0.335 -8.800 -9.315
236 2HB GLN 33 2HB GLN 33 2.026 -9.006 -8.861
237 1HG GLN 33 1HG GLN 33 0.455 -9.316 -6.480
238 2HG GLN 33 2HG GLN 33 -0.406 -10.187 -7.739
239 1HE2 GLN 33 1HE2 GLN 33 2.979 -9.737 -6.614
240 2HE2 GLN 33 2HE2 GLN 33 3.478 -11.411 -6.800
241 H GLN 34 H GLN 34 1.818 -5.022 -7.045
242 HA GLN 34 HA GLN 34 3.803 -5.914 -5.083
243 1HB GLN 34 1HB GLN 34 4.745 -6.192 -7.566
244 2HB GLN 34 2HB GLN 34 4.820 -4.415 -7.503
245 1HG GLN 34 1HG GLN 34 6.371 -4.510 -5.648
246 2HG GLN 34 2HG GLN 34 6.284 -6.282 -5.634
247 1HE2 GLN 34 1HE2 GLN 34 6.319 -6.469 -8.664
248 2HE2 GLN 34 2HE2 GLN 34 7.989 -6.096 -9.071
249 H CYS 35 H CYS 35 4.979 -3.948 -4.283
250 HA CYS 35 HA CYS 35 3.261 -1.496 -4.422
251 1HB CYS 35 1HB CYS 35 5.324 -2.373 -2.403
252 2HB CYS 35 2HB CYS 35 4.673 -0.741 -2.461
253 H HIS 36 H HIS 36 4.061 0.483 -4.680
254 HA HIS 36 HA HIS 36 6.858 0.813 -5.663
255 1HB HIS 36 1HB HIS 36 6.177 1.987 -7.680
256 2HB HIS 36 2HB HIS 36 5.524 0.358 -7.673
257 HD1 HIS 36 1HD HIS 36 4.312 3.993 -6.954
258 HD2 HIS 36 2HD HIS 36 2.827 0.147 -8.039
259 HE1 HIS 36 1HE HIS 36 1.792 4.239 -7.392
260 HE2 HIS 36 2HE HIS 36 0.966 1.845 -8.078
261 HA PRO 37 HA PRO 37 6.486 4.702 -3.440
262 1HB PRO 37 1HB PRO 37 8.170 6.143 -5.380
263 2HB PRO 37 2HB PRO 37 8.536 5.718 -3.686
264 1HG PRO 37 1HG PRO 37 9.756 4.545 -5.911
265 2HG PRO 37 2HG PRO 37 9.613 3.779 -4.309
266 1HD PRO 37 1HD PRO 37 7.981 3.289 -6.775
267 2HD PRO 37 2HD PRO 37 8.488 2.157 -5.499
268 H PHE 38 H PHE 38 5.572 7.052 -3.856
269 HA PHE 38 HA PHE 38 4.824 7.683 -6.538
270 1HB PHE 38 1HB PHE 38 2.499 7.586 -6.451
271 2HB PHE 38 2HB PHE 38 2.993 6.017 -5.872
272 HD1 PHE 38 1HD PHE 38 0.885 8.807 -5.289
273 HD2 PHE 38 2HD PHE 38 3.066 5.727 -3.197
274 HE1 PHE 38 1HE PHE 38 -0.552 9.128 -3.329
275 HE2 PHE 38 2HE PHE 38 1.530 6.016 -1.255
276 HZ PHE 38 HZ PHE 38 -0.255 7.704 -1.306
277 H VAL 39 H VAL 39 3.610 9.838 -6.506
278 HA VAL 39 HA VAL 39 4.727 11.524 -4.355
279 HB VAL 39 HB VAL 39 3.327 12.251 -6.993
280 1HG1 VAL 39 1HG1 VAL 39 2.882 13.968 -5.367
281 2HG1 VAL 39 2HG1 VAL 39 4.543 13.925 -4.773
282 3HG1 VAL 39 3HG1 VAL 39 4.184 14.565 -6.402
283 1HG2 VAL 39 1HG2 VAL 39 6.261 12.456 -6.143
284 2HG2 VAL 39 2HG2 VAL 39 5.612 11.333 -7.359
285 3HG2 VAL 39 3HG2 VAL 39 5.573 13.073 -7.659
286 H TYR 40 H TYR 40 3.439 12.114 -2.712
287 HA TYR 40 HA TYR 40 0.503 12.023 -2.971
288 1HB TYR 40 1HB TYR 40 1.051 10.212 -1.586
289 2HB TYR 40 2HB TYR 40 2.367 11.046 -0.812
290 HD1 TYR 40 1HD TYR 40 2.084 11.727 1.334
291 HD2 TYR 40 2HD TYR 40 -1.376 11.518 -1.239
292 HE1 TYR 40 1HE TYR 40 0.681 12.436 3.198
293 HE2 TYR 40 2HE TYR 40 -2.802 12.292 0.611
294 HH TYR 40 HH TYR 40 -2.757 13.277 2.715
295 H GLY 41 H GLY 41 -0.408 13.812 -1.332
296 1HA GLY 41 1HA GLY 41 1.386 16.179 -1.590
297 2HA GLY 41 2HA GLY 41 -0.337 16.188 -1.811
298 H GLY 42 H GLY 42 0.244 14.278 0.923
299 1HA GLY 42 1HA GLY 42 0.499 14.660 3.157
300 2HA GLY 42 2HA GLY 42 0.944 16.340 2.840
301 H CYS 43 H CYS 43 -1.905 16.112 1.317
302 HA CYS 43 HA CYS 43 -3.668 16.420 3.662
303 1HB CYS 43 1HB CYS 43 -4.919 18.107 2.533
304 2HB CYS 43 2HB CYS 43 -3.262 18.584 2.746
305 H GLU 44 H GLU 44 -6.094 16.357 2.346
306 HA GLU 44 HA GLU 44 -6.942 13.865 2.474
307 1HB GLU 44 1HB GLU 44 -7.851 15.664 0.217
308 2HB GLU 44 2HB GLU 44 -8.716 14.308 0.936
309 1HG GLU 44 1HG GLU 44 -9.704 16.065 1.999
310 2HG GLU 44 2HG GLU 44 -8.507 15.598 3.189
311 H GLY 45 H GLY 45 -6.869 11.893 1.407
312 1HA GLY 45 1HA GLY 45 -6.129 11.498 -1.329
313 2HA GLY 45 2HA GLY 45 -4.828 11.104 -0.199
314 H ASN 46 H ASN 46 -5.552 8.832 -1.269
315 HA ASN 46 HA ASN 46 -7.891 7.728 0.209
316 1HB ASN 46 1HB ASN 46 -6.207 6.138 -1.725
317 2HB ASN 46 2HB ASN 46 -7.798 5.782 -1.119
318 1HD2 ASN 46 1HD2 ASN 46 -7.328 5.688 -3.950
319 2HD2 ASN 46 2HD2 ASN 46 -8.281 7.020 -4.570
320 H GLY 47 H GLY 47 -7.398 5.347 0.816
321 1HA GLY 47 1HA GLY 47 -5.559 5.555 3.083
322 2HA GLY 47 2HA GLY 47 -6.657 4.211 2.743
323 H ASN 48 H ASN 48 -5.167 4.434 -0.128
324 HA ASN 48 HA ASN 48 -3.176 2.365 0.496
325 1HB ASN 48 1HB ASN 48 -4.635 2.245 -1.483
326 2HB ASN 48 2HB ASN 48 -3.925 3.633 -2.189
327 1HD2 ASN 48 1HD2 ASN 48 -3.723 1.489 -3.696
328 2HD2 ASN 48 2HD2 ASN 48 -2.246 0.564 -3.622
329 H ASN 49 H ASN 49 -2.066 3.821 1.950
330 HA ASN 49 HA ASN 49 -0.024 5.498 0.607
331 1HB ASN 49 1HB ASN 49 -2.036 6.893 1.298
332 2HB ASN 49 2HB ASN 49 -1.773 6.382 2.961
333 1HD2 ASN 49 1HD2 ASN 49 -1.480 9.006 1.208
334 2HD2 ASN 49 2HD2 ASN 49 -0.003 9.695 1.811
335 H PHE 50 H PHE 50 1.727 4.378 1.246
336 HA PHE 50 HA PHE 50 1.901 3.335 4.010
337 1HB PHE 50 1HB PHE 50 2.999 2.229 1.409
338 2HB PHE 50 2HB PHE 50 3.467 1.618 2.932
339 HD1 PHE 50 1HD PHE 50 1.713 0.690 4.566
340 HD2 PHE 50 2HD PHE 50 0.743 1.671 0.473
341 HE1 PHE 50 1HE PHE 50 -0.457 -0.466 4.789
342 HE2 PHE 50 2HE PHE 50 -1.387 0.411 0.697
343 HZ PHE 50 HZ PHE 50 -2.006 -0.621 2.854
344 H HIS 51 H HIS 51 4.076 3.067 4.775
345 HA HIS 51 HA HIS 51 5.363 5.712 4.611
346 1HB HIS 51 1HB HIS 51 6.011 3.416 6.483
347 2HB HIS 51 2HB HIS 51 6.279 5.119 6.721
348 HD1 HIS 51 1HD HIS 51 3.793 6.541 7.227
349 HD2 HIS 51 2HD HIS 51 3.761 2.335 7.043
350 HE1 HIS 51 1HE HIS 51 1.456 5.786 8.055
351 HE2 HIS 51 2HE HIS 51 1.458 3.208 7.970
352 H SER 52 H SER 52 5.858 2.495 3.525
353 HA SER 52 HA SER 52 8.563 3.002 2.533
354 1HB SER 52 1HB SER 52 9.336 0.925 3.988
355 2HB SER 52 2HB SER 52 9.252 2.511 4.763
356 HG SER 52 HG SER 52 8.126 0.634 5.915
357 H ARG 53 H ARG 53 9.401 0.926 1.596
358 HA ARG 53 HA ARG 53 7.485 -0.417 -0.112
359 1HB ARG 53 1HB ARG 53 9.835 -0.135 -0.738
360 2HB ARG 53 2HB ARG 53 10.348 -1.080 0.657
361 1HG ARG 53 1HG ARG 53 10.406 -2.377 -1.355
362 2HG ARG 53 2HG ARG 53 9.258 -3.081 -0.225
363 1HD ARG 53 1HD ARG 53 7.432 -1.937 -1.625
364 2HD ARG 53 2HD ARG 53 8.676 -1.504 -2.762
365 HE ARG 53 HE ARG 53 8.048 -4.326 -1.962
366 1HH1 ARG 53 2HH2 ARG 53 8.226 -2.272 -4.801
367 2HH1 ARG 53 1HH2 ARG 53 8.874 -3.546 -5.779
368 1HH2 ARG 53 2HH1 ARG 53 8.353 -5.876 -3.296
369 2HH2 ARG 53 1HH1 ARG 53 8.909 -5.678 -4.956
370 H GLU 54 H GLU 54 9.262 -1.265 2.797
371 HA GLU 54 HA GLU 54 8.447 -3.830 3.417
372 1HB GLU 54 1HB GLU 54 10.244 -2.769 4.495
373 2HB GLU 54 2HB GLU 54 9.414 -1.295 4.737
374 1HG GLU 54 1HG GLU 54 8.135 -3.245 6.445
375 2HG GLU 54 2HG GLU 54 9.889 -3.420 6.604
376 H SER 55 H SER 55 7.142 -1.070 5.214
377 HA SER 55 HA SER 55 4.955 -2.311 6.142
378 1HB SER 55 1HB SER 55 3.758 -0.166 6.440
379 2HB SER 55 2HB SER 55 5.436 -0.166 6.990
380 HG SER 55 HG SER 55 6.046 0.984 5.243
381 H CYS 56 H CYS 56 5.090 -1.181 2.879
382 HA CYS 56 HA CYS 56 2.236 -1.421 2.377
383 1HB CYS 56 1HB CYS 56 4.143 0.027 1.207
384 2HB CYS 56 2HB CYS 56 4.646 -1.437 0.451
385 H GLU 57 H GLU 57 5.076 -3.392 1.583
386 HA GLU 57 HA GLU 57 3.284 -5.462 0.514
387 1HB GLU 57 1HB GLU 57 6.268 -5.297 0.695
388 2HB GLU 57 2HB GLU 57 5.466 -6.886 0.497
389 1HG GLU 57 1HG GLU 57 4.182 -6.111 -1.413
390 2HG GLU 57 2HG GLU 57 4.703 -4.449 -1.162
391 H ASP 58 H ASP 58 4.662 -4.716 3.681
392 HA ASP 58 HA ASP 58 3.850 -7.144 4.942
393 1HB ASP 58 1HB ASP 58 5.310 -5.449 5.982
394 2HB ASP 58 2HB ASP 58 3.978 -4.294 5.987
395 H ALA 59 H ALA 59 1.989 -4.055 4.080
396 HA ALA 59 HA ALA 59 -0.377 -5.028 5.366
397 1HB ALA 59 1HB ALA 59 -0.050 -3.009 3.108
398 2HB ALA 59 2HB ALA 59 -1.497 -3.237 4.114
399 3HB ALA 59 3HB ALA 59 0.018 -2.676 4.858
400 H CYS 60 H CYS 60 0.753 -5.298 1.955
401 HA CYS 60 HA CYS 60 -1.310 -7.414 1.560
402 1HB CYS 60 1HB CYS 60 -0.782 -5.022 -0.181
403 2HB CYS 60 2HB CYS 60 -1.359 -6.538 -0.869
404 HA PRO 61 HA PRO 61 2.915 -8.859 0.683
405 1HB PRO 61 1HB PRO 61 2.897 -11.202 2.100
406 2HB PRO 61 2HB PRO 61 3.089 -9.608 2.886
407 1HG PRO 61 1HG PRO 61 0.552 -11.241 2.589
408 2HG PRO 61 2HG PRO 61 1.195 -10.444 4.063
409 1HD PRO 61 1HD PRO 61 -0.720 -9.300 2.478
410 2HD PRO 61 2HD PRO 61 0.506 -8.317 3.320
411 H VAL 62 H VAL 62 3.782 -10.790 -0.383
412 HA VAL 62 HA VAL 62 1.711 -12.052 -2.128
413 HB VAL 62 HB VAL 62 4.580 -12.503 -2.605
414 1HG1 VAL 62 1HG1 VAL 62 3.926 -12.671 -4.933
415 2HG1 VAL 62 2HG1 VAL 62 3.029 -13.757 -3.873
416 3HG1 VAL 62 3HG1 VAL 62 2.255 -12.261 -4.475
417 1HG2 VAL 62 1HG2 VAL 62 3.186 -9.943 -3.586
418 2HG2 VAL 62 2HG2 VAL 62 4.594 -10.000 -2.508
419 3HG2 VAL 62 3HG2 VAL 62 4.759 -10.521 -4.182
420 H VAL 63 H VAL 63 1.942 -14.185 -2.235
421 HA VAL 63 HA VAL 63 3.292 -15.803 -0.261
422 HB VAL 63 HB VAL 63 0.271 -15.997 -0.407
423 1HG1 VAL 63 1HG1 VAL 63 1.220 -18.172 0.135
424 2HG1 VAL 63 2HG1 VAL 63 2.295 -17.437 1.360
425 3HG1 VAL 63 3HG1 VAL 63 0.538 -17.484 1.600
426 1HG2 VAL 63 1HG2 VAL 63 0.806 -13.963 0.852
427 2HG2 VAL 63 2HG2 VAL 63 0.285 -15.206 1.980
428 3HG2 VAL 63 3HG2 VAL 63 2.015 -14.836 1.811
429 H ASP 64 H ASP 64 3.077 -18.197 -0.980
430 HA ASP 64 HA ASP 64 3.326 -18.408 -3.856
431 1HB ASP 64 1HB ASP 64 4.322 -20.226 -2.640
432 2HB ASP 64 2HB ASP 64 2.812 -20.543 -1.751
433 H HIS 65 H HIS 65 1.694 -19.090 -5.336
434 HA HIS 65 HA HIS 65 -0.839 -17.956 -4.649
435 1HB HIS 65 1HB HIS 65 0.349 -18.907 -7.251
436 2HB HIS 65 2HB HIS 65 -1.286 -18.271 -7.082
437 HD1 HIS 65 1HD HIS 65 1.179 -16.401 -4.846
438 HD2 HIS 65 2HD HIS 65 -0.383 -16.241 -8.800
439 HE1 HIS 65 1HE HIS 65 1.658 -14.063 -5.760
440 HE2 HIS 65 2HE HIS 65 0.747 -13.911 -8.066
441 H HIS 66 H HIS 66 -1.217 -19.611 -3.046
442 HA HIS 66 HA HIS 66 -2.228 -22.258 -3.828
443 1HB HIS 66 1HB HIS 66 -2.667 -20.530 -1.332
444 2HB HIS 66 2HB HIS 66 -3.277 -22.162 -1.529
445 HD1 HIS 66 1HD HIS 66 0.379 -22.134 -2.715
446 HD2 HIS 66 2HD HIS 66 -1.844 -22.265 0.924
447 HE1 HIS 66 1HE HIS 66 1.907 -22.998 -1.016
448 HE2 HIS 66 2HE HIS 66 0.628 -23.099 1.251
449 H HIS 67 H HIS 67 -3.291 -21.133 -5.694
450 HA HIS 67 HA HIS 67 -5.174 -19.249 -5.623
451 1HB HIS 67 1HB HIS 67 -5.879 -19.812 -7.772
452 2HB HIS 67 2HB HIS 67 -4.152 -20.096 -7.650
453 HD1 HIS 67 1HD HIS 67 -7.104 -21.592 -9.156
454 HD2 HIS 67 2HD HIS 67 -3.675 -23.006 -7.066
455 HE1 HIS 67 1HE HIS 67 -6.921 -24.050 -9.669
456 HE2 HIS 67 2HE HIS 67 -4.827 -24.949 -8.415
457 H HIS 68 H HIS 68 -6.592 -19.115 -3.999
458 HA HIS 68 HA HIS 68 -8.633 -21.212 -3.630
459 1HB HIS 68 1HB HIS 68 -9.892 -19.393 -2.382
460 2HB HIS 68 2HB HIS 68 -8.349 -19.876 -1.715
461 HD1 HIS 68 1HD HIS 68 -9.810 -16.672 -3.679
462 HD2 HIS 68 2HD HIS 68 -6.583 -18.059 -1.226
463 HE1 HIS 68 1HE HIS 68 -8.594 -14.690 -2.896
464 HE2 HIS 68 2HE HIS 68 -6.653 -15.389 -1.488
465 H HIS 69 H HIS 69 -8.092 -18.409 -5.568
466 HA HIS 69 HA HIS 69 -10.705 -18.210 -6.804
467 1HB HIS 69 1HB HIS 69 -9.627 -16.468 -8.076
468 2HB HIS 69 2HB HIS 69 -9.034 -16.370 -6.429
469 HD1 HIS 69 1HD HIS 69 -6.301 -16.756 -6.019
470 HD2 HIS 69 2HD HIS 69 -7.846 -17.181 -9.980
471 HE1 HIS 69 1HE HIS 69 -4.345 -16.837 -7.565
472 HE2 HIS 69 2HE HIS 69 -5.258 -17.098 -9.984
473 H HIS 70 H HIS 70 -10.779 -18.403 -9.210
474 HA HIS 70 HA HIS 70 -10.350 -20.939 -10.290
475 1HB HIS 70 1HB HIS 70 -11.922 -19.415 -11.287
476 2HB HIS 70 2HB HIS 70 -10.692 -18.169 -11.501
477 HD1 HIS 70 1HD HIS 70 -8.554 -19.325 -13.113
478 HD2 HIS 70 2HD HIS 70 -12.639 -20.149 -13.712
479 HE1 HIS 70 1HE HIS 70 -8.823 -19.979 -15.657
480 HE2 HIS 70 2HE HIS 70 -11.344 -20.487 -15.971
Start of MODEL 2
1 1H GLU 1 1H GLU 1 -3.753 -1.641 4.735
2 2H GLU 1 2H GLU 1 -2.601 -0.423 4.722
3 3H GLU 1 H GLU 1 -3.775 -0.595 3.533
4 HA GLU 1 HA GLU 1 -4.187 0.146 6.348
5 1HB GLU 1 1HB GLU 1 -4.863 1.816 3.932
6 2HB GLU 1 2HB GLU 1 -4.856 2.288 5.630
7 1HG GLU 1 1HG GLU 1 -2.483 1.799 3.806
8 2HG GLU 1 2HG GLU 1 -2.944 3.292 4.621
9 H ALA 2 H ALA 2 -6.802 1.414 5.567
10 HA ALA 2 HA ALA 2 -8.337 -0.633 4.247
11 1HB ALA 2 1HB ALA 2 -8.954 0.030 7.167
12 2HB ALA 2 2HB ALA 2 -9.979 -0.921 6.074
13 3HB ALA 2 3HB ALA 2 -8.392 -1.548 6.557
14 H GLU 3 H GLU 3 -10.539 0.195 3.880
15 HA GLU 3 HA GLU 3 -11.059 3.030 4.427
16 1HB GLU 3 1HB GLU 3 -10.756 1.895 1.628
17 2HB GLU 3 2HB GLU 3 -11.886 3.222 1.956
18 1HG GLU 3 1HG GLU 3 -10.137 4.652 2.788
19 2HG GLU 3 2HG GLU 3 -8.968 3.334 2.784
20 H ALA 4 H ALA 4 -12.436 0.393 2.367
21 HA ALA 4 HA ALA 4 -15.061 0.736 3.629
22 1HB ALA 4 1HB ALA 4 -15.756 -1.084 2.159
23 2HB ALA 4 2HB ALA 4 -14.837 0.103 1.222
24 3HB ALA 4 3HB ALA 4 -14.074 -1.430 1.716
25 H GLU 5 H GLU 5 -16.122 -1.218 4.518
26 HA GLU 5 HA GLU 5 -15.200 -1.896 6.957
27 1HB GLU 5 1HB GLU 5 -16.935 -3.802 5.328
28 2HB GLU 5 2HB GLU 5 -16.846 -3.645 7.077
29 1HG GLU 5 1HG GLU 5 -18.786 -2.506 6.682
30 2HG GLU 5 2HG GLU 5 -17.648 -1.162 6.652
31 H PHE 6 H PHE 6 -14.640 -3.853 4.038
32 HA PHE 6 HA PHE 6 -12.233 -4.927 5.295
33 1HB PHE 6 1HB PHE 6 -13.982 -6.574 5.952
34 2HB PHE 6 2HB PHE 6 -14.379 -6.832 4.262
35 HD1 PHE 6 1HD PHE 6 -12.983 -8.257 2.861
36 HD2 PHE 6 2HD PHE 6 -11.737 -7.221 6.854
37 HE1 PHE 6 1HE PHE 6 -11.201 -9.977 2.749
38 HE2 PHE 6 2HE PHE 6 -9.950 -8.942 6.742
39 HZ PHE 6 HZ PHE 6 -9.678 -10.328 4.690
40 H THR 7 H THR 7 -11.250 -3.610 3.738
41 HA THR 7 HA THR 7 -10.507 -4.937 1.321
42 HB THR 7 HB THR 7 -12.217 -2.419 1.134
43 HG1 THR 7 1HG THR 7 -13.015 -4.698 0.872
44 1HG2 THR 7 1HG2 THR 7 -10.232 -1.955 -0.234
45 2HG2 THR 7 2HG2 THR 7 -10.347 -3.560 -0.993
46 3HG2 THR 7 3HG2 THR 7 -11.602 -2.335 -1.281
47 H ASP 8 H ASP 8 -8.308 -4.547 1.472
48 HA ASP 8 HA ASP 8 -7.362 -2.256 3.054
49 1HB ASP 8 1HB ASP 8 -6.110 -4.406 3.130
50 2HB ASP 8 2HB ASP 8 -5.764 -4.246 1.411
51 H ALA 9 H ALA 9 -6.943 -0.390 2.163
52 HA ALA 9 HA ALA 9 -7.705 0.731 -0.274
53 1HB ALA 9 1HB ALA 9 -6.996 1.884 1.805
54 2HB ALA 9 2HB ALA 9 -5.309 1.400 1.459
55 3HB ALA 9 3HB ALA 9 -6.206 2.443 0.323
56 H CYS 10 H CYS 10 -4.853 -1.291 0.372
57 HA CYS 10 HA CYS 10 -3.169 -0.593 -1.713
58 1HB CYS 10 1HB CYS 10 -2.181 -2.708 -1.371
59 2HB CYS 10 2HB CYS 10 -2.903 -2.285 0.157
60 H VAL 11 H VAL 11 -6.313 -2.223 -2.052
61 HA VAL 11 HA VAL 11 -5.822 -3.129 -4.774
62 HB VAL 11 HB VAL 11 -8.426 -2.740 -3.235
63 1HG1 VAL 11 1HG1 VAL 11 -9.342 -4.477 -4.766
64 2HG1 VAL 11 2HG1 VAL 11 -8.885 -3.016 -5.637
65 3HG1 VAL 11 3HG1 VAL 11 -7.828 -4.443 -5.702
66 1HG2 VAL 11 1HG2 VAL 11 -8.261 -5.191 -2.788
67 2HG2 VAL 11 2HG2 VAL 11 -6.641 -5.206 -3.522
68 3HG2 VAL 11 3HG2 VAL 11 -6.952 -4.302 -2.026
69 H LEU 12 H LEU 12 -6.643 -0.035 -3.462
70 HA LEU 12 HA LEU 12 -8.112 1.046 -5.755
71 1HB LEU 12 1HB LEU 12 -9.049 1.732 -3.788
72 2HB LEU 12 2HB LEU 12 -7.584 1.688 -2.885
73 HG LEU 12 HG LEU 12 -7.192 3.940 -4.439
74 1HD1 LEU 12 1HD1 LEU 12 -10.131 3.963 -3.567
75 2HD1 LEU 12 2HD1 LEU 12 -9.260 5.218 -4.464
76 3HD1 LEU 12 3HD1 LEU 12 -9.700 3.680 -5.250
77 1HD2 LEU 12 1HD2 LEU 12 -8.568 3.607 -1.783
78 2HD2 LEU 12 2HD2 LEU 12 -6.828 3.628 -2.051
79 3HD2 LEU 12 3HD2 LEU 12 -7.777 5.079 -2.389
80 HA PRO 13 HA PRO 13 -4.298 2.610 -7.430
81 1HB PRO 13 1HB PRO 13 -5.061 5.115 -8.462
82 2HB PRO 13 2HB PRO 13 -5.203 3.535 -9.268
83 1HG PRO 13 1HG PRO 13 -7.309 5.186 -7.955
84 2HG PRO 13 2HG PRO 13 -7.491 3.961 -9.243
85 1HD PRO 13 1HD PRO 13 -8.045 3.676 -6.495
86 2HD PRO 13 2HD PRO 13 -7.972 2.325 -7.627
87 H ALA 14 H ALA 14 -2.804 4.578 -7.358
88 HA ALA 14 HA ALA 14 -2.497 5.403 -4.551
89 1HB ALA 14 1HB ALA 14 -0.543 4.854 -6.051
90 2HB ALA 14 2HB ALA 14 -0.931 6.283 -7.029
91 3HB ALA 14 3HB ALA 14 -0.458 6.474 -5.327
92 H VAL 15 H VAL 15 -3.826 7.059 -3.807
93 HA VAL 15 HA VAL 15 -4.678 9.159 -5.715
94 HB VAL 15 HB VAL 15 -5.414 8.877 -2.822
95 1HG1 VAL 15 1HG1 VAL 15 -6.668 10.514 -5.054
96 2HG1 VAL 15 2HG1 VAL 15 -7.336 10.328 -3.419
97 3HG1 VAL 15 3HG1 VAL 15 -5.785 11.129 -3.628
98 1HG2 VAL 15 1HG2 VAL 15 -7.647 8.021 -3.774
99 2HG2 VAL 15 2HG2 VAL 15 -6.840 7.863 -5.331
100 3HG2 VAL 15 3HG2 VAL 15 -6.304 6.888 -3.940
101 H GLN 16 H GLN 16 -3.694 10.916 -5.779
102 HA GLN 16 HA GLN 16 -1.269 11.459 -4.168
103 1HB GLN 16 1HB GLN 16 -2.414 13.078 -6.485
104 2HB GLN 16 2HB GLN 16 -0.843 13.297 -5.702
105 1HG GLN 16 1HG GLN 16 -0.334 10.850 -6.368
106 2HG GLN 16 2HG GLN 16 -1.767 10.935 -7.392
107 1HE2 GLN 16 1HE2 GLN 16 1.361 12.564 -6.735
108 2HE2 GLN 16 2HE2 GLN 16 1.548 13.197 -8.384
109 H GLY 17 H GLY 17 -4.519 12.809 -4.614
110 1HA GLY 17 1HA GLY 17 -5.724 13.931 -2.940
111 2HA GLY 17 2HA GLY 17 -4.205 14.466 -2.176
112 HA PRO 18 HA PRO 18 -5.738 17.622 -5.335
113 1HB PRO 18 1HB PRO 18 -7.001 19.518 -3.863
114 2HB PRO 18 2HB PRO 18 -7.775 17.949 -4.233
115 1HG PRO 18 1HG PRO 18 -6.305 18.742 -1.696
116 2HG PRO 18 2HG PRO 18 -7.922 17.986 -1.840
117 1HD PRO 18 1HD PRO 18 -5.618 16.548 -1.405
118 2HD PRO 18 2HD PRO 18 -7.002 15.885 -2.323
119 H CYS 19 H CYS 19 -3.554 17.805 -2.690
120 HA CYS 19 HA CYS 19 -2.950 20.612 -2.884
121 1HB CYS 19 1HB CYS 19 -1.732 18.333 -1.354
122 2HB CYS 19 2HB CYS 19 -0.946 19.887 -1.364
123 H ARG 20 H ARG 20 -0.446 21.025 -2.796
124 HA ARG 20 HA ARG 20 0.759 20.181 -5.364
125 1HB ARG 20 1HB ARG 20 0.043 23.011 -4.565
126 2HB ARG 20 2HB ARG 20 1.412 22.662 -5.604
127 1HG ARG 20 1HG ARG 20 0.081 22.504 -7.381
128 2HG ARG 20 2HG ARG 20 -0.735 21.116 -6.702
129 1HD ARG 20 1HD ARG 20 -1.503 24.010 -6.194
130 2HD ARG 20 2HD ARG 20 -2.215 22.981 -7.436
131 HE ARG 20 HE ARG 20 -2.993 21.453 -5.629
132 1HH1 ARG 20 2HH2 ARG 20 -2.525 24.896 -4.865
133 2HH1 ARG 20 1HH2 ARG 20 -3.807 24.955 -3.707
134 1HH2 ARG 20 2HH1 ARG 20 -4.696 21.553 -4.188
135 2HH2 ARG 20 1HH1 ARG 20 -5.078 22.960 -3.257
136 H GLY 21 H GLY 21 1.170 19.969 -2.392
137 1HA GLY 21 1HA GLY 21 4.039 20.766 -2.107
138 2HA GLY 21 2HA GLY 21 2.962 20.257 -0.752
139 H TRP 22 H TRP 22 5.408 18.583 -1.580
140 HA TRP 22 HA TRP 22 3.981 16.265 -2.696
141 1HB TRP 22 1HB TRP 22 6.658 17.349 -3.629
142 2HB TRP 22 2HB TRP 22 5.908 15.879 -4.193
143 HD1 TRP 22 HD TRP 22 6.596 19.038 -5.448
144 HE1 TRP 22 1HE TRP 22 4.879 20.053 -7.044
145 HE3 TRP 22 3HE TRP 22 2.577 16.013 -4.410
146 HZ2 TRP 22 2HZ TRP 22 2.131 19.602 -7.820
147 HZ3 TRP 22 3HZ TRP 22 0.437 16.337 -5.595
148 HH2 TRP 22 HH TRP 22 0.195 18.117 -7.293
149 H GLU 23 H GLU 23 4.166 14.781 -1.398
150 HA GLU 23 HA GLU 23 6.367 14.414 0.573
151 1HB GLU 23 1HB GLU 23 4.341 15.277 1.553
152 2HB GLU 23 2HB GLU 23 3.334 14.150 0.658
153 1HG GLU 23 1HG GLU 23 3.349 13.460 2.896
154 2HG GLU 23 2HG GLU 23 4.223 12.270 1.948
155 HA PRO 24 HA PRO 24 6.518 10.532 -1.973
156 1HB PRO 24 1HB PRO 24 8.738 9.409 -0.855
157 2HB PRO 24 2HB PRO 24 8.802 10.752 -2.037
158 1HG PRO 24 1HG PRO 24 8.958 10.923 0.988
159 2HG PRO 24 2HG PRO 24 10.024 11.708 -0.222
160 1HD PRO 24 1HD PRO 24 7.964 13.024 0.942
161 2HD PRO 24 2HD PRO 24 8.362 13.304 -0.775
162 H ARG 25 H ARG 25 5.230 8.917 -1.630
163 HA ARG 25 HA ARG 25 5.286 7.459 0.955
164 1HB ARG 25 1HB ARG 25 2.800 8.456 -0.510
165 2HB ARG 25 2HB ARG 25 2.725 7.171 0.687
166 1HG ARG 25 1HG ARG 25 3.756 9.988 1.279
167 2HG ARG 25 2HG ARG 25 2.147 9.382 1.628
168 1HD ARG 25 1HD ARG 25 3.090 7.567 3.006
169 2HD ARG 25 2HD ARG 25 4.720 8.164 2.753
170 HE ARG 25 HE ARG 25 2.653 9.338 4.441
171 1HH1 ARG 25 2HH2 ARG 25 5.829 9.898 2.818
172 2HH1 ARG 25 1HH2 ARG 25 6.151 11.323 3.690
173 1HH2 ARG 25 2HH1 ARG 25 3.226 11.269 5.694
174 2HH2 ARG 25 1HH1 ARG 25 4.653 12.134 5.235
175 H TRP 26 H TRP 26 3.866 5.328 0.595
176 HA TRP 26 HA TRP 26 4.851 4.165 -1.993
177 1HB TRP 26 1HB TRP 26 4.642 3.015 0.812
178 2HB TRP 26 2HB TRP 26 4.857 2.019 -0.629
179 HD1 TRP 26 HD TRP 26 6.633 4.765 1.415
180 HE1 TRP 26 1HE TRP 26 9.104 4.856 0.797
181 HE3 TRP 26 3HE TRP 26 6.700 1.071 -2.107
182 HZ2 TRP 26 2HZ TRP 26 10.845 3.681 -1.228
183 HZ3 TRP 26 3HZ TRP 26 8.689 0.774 -3.567
184 HH2 TRP 26 HH TRP 26 10.777 2.037 -3.106
185 H ALA 27 H ALA 27 3.304 2.920 -3.221
186 HA ALA 27 HA ALA 27 0.663 2.516 -1.955
187 1HB ALA 27 1HB ALA 27 -0.463 3.117 -4.114
188 2HB ALA 27 2HB ALA 27 0.178 4.495 -3.239
189 3HB ALA 27 3HB ALA 27 1.050 3.845 -4.666
190 H TYR 28 H TYR 28 -0.355 0.716 -2.683
191 HA TYR 28 HA TYR 28 1.342 -1.312 -3.973
192 1HB TYR 28 1HB TYR 28 -0.177 -1.758 -1.996
193 2HB TYR 28 2HB TYR 28 -1.528 -1.374 -3.022
194 HD1 TYR 28 1HD TYR 28 -2.109 -2.895 -4.987
195 HD2 TYR 28 2HD TYR 28 0.642 -4.034 -1.874
196 HE1 TYR 28 1HE TYR 28 -2.416 -5.272 -5.565
197 HE2 TYR 28 2HE TYR 28 0.406 -6.394 -2.554
198 HH TYR 28 HH TYR 28 -0.446 -7.884 -4.104
199 H SER 29 H SER 29 0.975 -2.164 -5.980
200 HA SER 29 HA SER 29 -1.141 -1.028 -7.702
201 1HB SER 29 1HB SER 29 1.800 -1.478 -8.182
202 2HB SER 29 2HB SER 29 0.723 -1.353 -9.542
203 HG SER 29 HG SER 29 0.253 0.438 -7.495
204 HA PRO 30 HA PRO 30 -1.832 -5.529 -7.573
205 1HB PRO 30 1HB PRO 30 -4.244 -5.572 -8.919
206 2HB PRO 30 2HB PRO 30 -4.090 -5.198 -7.178
207 1HG PRO 30 1HG PRO 30 -4.362 -3.272 -9.490
208 2HG PRO 30 2HG PRO 30 -5.181 -3.224 -7.897
209 1HD PRO 30 1HD PRO 30 -2.986 -1.711 -8.472
210 2HD PRO 30 2HD PRO 30 -3.273 -2.365 -6.836
211 H LEU 31 H LEU 31 -2.126 -3.394 -10.400
212 HA LEU 31 HA LEU 31 -1.711 -5.359 -12.423
213 1HB LEU 31 1HB LEU 31 -1.419 -2.373 -12.291
214 2HB LEU 31 2HB LEU 31 -0.871 -3.255 -13.711
215 HG LEU 31 HG LEU 31 -3.681 -3.612 -12.597
216 1HD1 LEU 31 1HD1 LEU 31 -2.709 -1.732 -14.777
217 2HD1 LEU 31 2HD1 LEU 31 -4.408 -2.045 -14.339
218 3HD1 LEU 31 3HD1 LEU 31 -3.328 -1.260 -13.171
219 1HD2 LEU 31 1HD2 LEU 31 -2.455 -4.213 -15.338
220 2HD2 LEU 31 2HD2 LEU 31 -2.971 -5.419 -14.143
221 3HD2 LEU 31 3HD2 LEU 31 -4.171 -4.391 -14.918
222 H LEU 32 H LEU 32 0.492 -4.131 -10.056
223 HA LEU 32 HA LEU 32 2.813 -5.240 -11.564
224 1HB LEU 32 1HB LEU 32 2.432 -3.016 -9.569
225 2HB LEU 32 2HB LEU 32 4.002 -3.736 -9.724
226 HG LEU 32 HG LEU 32 2.526 -2.541 -12.107
227 1HD1 LEU 32 1HD1 LEU 32 4.650 -1.274 -10.322
228 2HD1 LEU 32 2HD1 LEU 32 4.034 -0.593 -11.845
229 3HD1 LEU 32 3HD1 LEU 32 2.944 -0.773 -10.469
230 1HD2 LEU 32 1HD2 LEU 32 5.454 -3.327 -11.700
231 2HD2 LEU 32 2HD2 LEU 32 4.281 -4.150 -12.746
232 3HD2 LEU 32 3HD2 LEU 32 4.793 -2.513 -13.136
233 H GLN 33 H GLN 33 0.552 -5.870 -9.215
234 HA GLN 33 HA GLN 33 0.332 -6.878 -7.287
235 1HB GLN 33 1HB GLN 33 0.695 -8.684 -9.066
236 2HB GLN 33 2HB GLN 33 2.308 -8.906 -8.383
237 1HG GLN 33 1HG GLN 33 0.434 -8.861 -6.200
238 2HG GLN 33 2HG GLN 33 -0.298 -9.852 -7.448
239 1HE2 GLN 33 1HE2 GLN 33 2.962 -9.418 -5.966
240 2HE2 GLN 33 2HE2 GLN 33 3.277 -11.171 -5.836
241 H GLN 34 H GLN 34 2.050 -4.742 -7.004
242 HA GLN 34 HA GLN 34 3.752 -5.547 -4.761
243 1HB GLN 34 1HB GLN 34 5.065 -6.016 -7.040
244 2HB GLN 34 2HB GLN 34 5.159 -4.254 -7.110
245 1HG GLN 34 1HG GLN 34 6.172 -4.632 -4.614
246 2HG GLN 34 2HG GLN 34 6.536 -6.202 -5.302
247 1HE2 GLN 34 1HE2 GLN 34 7.235 -5.547 -7.976
248 2HE2 GLN 34 2HE2 GLN 34 8.676 -4.546 -7.899
249 H CYS 35 H CYS 35 4.983 -3.493 -3.968
250 HA CYS 35 HA CYS 35 3.265 -1.127 -4.426
251 1HB CYS 35 1HB CYS 35 5.049 -1.612 -2.041
252 2HB CYS 35 2HB CYS 35 3.764 -0.422 -2.238
253 H HIS 36 H HIS 36 4.091 0.736 -4.941
254 HA HIS 36 HA HIS 36 7.056 0.950 -5.388
255 1HB HIS 36 1HB HIS 36 6.695 2.055 -7.525
256 2HB HIS 36 2HB HIS 36 5.967 0.466 -7.537
257 HD1 HIS 36 1HD HIS 36 4.835 4.191 -7.150
258 HD2 HIS 36 2HD HIS 36 3.368 0.352 -8.289
259 HE1 HIS 36 1HE HIS 36 2.464 4.517 -8.051
260 HE2 HIS 36 2HE HIS 36 1.619 2.124 -8.710
261 HA PRO 37 HA PRO 37 6.442 4.813 -3.282
262 1HB PRO 37 1HB PRO 37 8.292 6.537 -4.425
263 2HB PRO 37 2HB PRO 37 8.621 5.337 -3.162
264 1HG PRO 37 1HG PRO 37 9.251 5.246 -6.089
265 2HG PRO 37 2HG PRO 37 10.072 4.399 -4.747
266 1HD PRO 37 1HD PRO 37 8.168 3.338 -6.584
267 2HD PRO 37 2HD PRO 37 8.805 2.523 -5.139
268 H PHE 38 H PHE 38 5.767 7.179 -3.705
269 HA PHE 38 HA PHE 38 5.167 7.938 -6.391
270 1HB PHE 38 1HB PHE 38 2.846 7.891 -6.448
271 2HB PHE 38 2HB PHE 38 3.252 6.299 -5.869
272 HD1 PHE 38 1HD PHE 38 3.106 5.935 -3.205
273 HD2 PHE 38 2HD PHE 38 1.264 9.220 -5.329
274 HE1 PHE 38 1HE PHE 38 1.363 6.153 -1.445
275 HE2 PHE 38 2HE PHE 38 -0.426 9.405 -3.566
276 HZ PHE 38 HZ PHE 38 -0.415 7.846 -1.639
277 H VAL 39 H VAL 39 3.863 10.090 -6.265
278 HA VAL 39 HA VAL 39 4.896 11.646 -3.955
279 HB VAL 39 HB VAL 39 4.186 12.321 -6.837
280 1HG1 VAL 39 1HG1 VAL 39 3.187 14.109 -5.634
281 2HG1 VAL 39 2HG1 VAL 39 4.527 14.195 -4.477
282 3HG1 VAL 39 3HG1 VAL 39 4.752 14.717 -6.172
283 1HG2 VAL 39 1HG2 VAL 39 6.493 11.504 -6.392
284 2HG2 VAL 39 2HG2 VAL 39 6.488 13.209 -6.865
285 3HG2 VAL 39 3HG2 VAL 39 6.699 12.769 -5.159
286 H TYR 40 H TYR 40 3.449 11.914 -2.430
287 HA TYR 40 HA TYR 40 0.542 12.007 -2.991
288 1HB TYR 40 1HB TYR 40 0.953 10.273 -1.459
289 2HB TYR 40 2HB TYR 40 2.293 11.089 -0.709
290 HD1 TYR 40 1HD TYR 40 2.038 11.882 1.389
291 HD2 TYR 40 2HD TYR 40 -1.451 11.608 -1.144
292 HE1 TYR 40 1HE TYR 40 0.650 12.660 3.249
293 HE2 TYR 40 2HE TYR 40 -2.849 12.495 0.696
294 HH TYR 40 HH TYR 40 -2.744 13.587 2.767
295 H GLY 41 H GLY 41 -0.524 13.858 -1.778
296 1HA GLY 41 1HA GLY 41 1.201 16.198 -2.044
297 2HA GLY 41 2HA GLY 41 -0.524 16.185 -2.072
298 H GLY 42 H GLY 42 0.367 14.417 0.662
299 1HA GLY 42 1HA GLY 42 0.691 14.873 2.875
300 2HA GLY 42 2HA GLY 42 1.272 16.477 2.443
301 H CYS 43 H CYS 43 -1.790 16.160 1.165
302 HA CYS 43 HA CYS 43 -3.288 16.927 3.570
303 1HB CYS 43 1HB CYS 43 -4.345 18.697 2.564
304 2HB CYS 43 2HB CYS 43 -2.671 18.895 2.126
305 H GLU 44 H GLU 44 -5.808 16.936 2.397
306 HA GLU 44 HA GLU 44 -6.839 14.537 2.836
307 1HB GLU 44 1HB GLU 44 -7.760 16.135 0.442
308 2HB GLU 44 2HB GLU 44 -8.675 14.991 1.419
309 1HG GLU 44 1HG GLU 44 -9.405 16.953 2.295
310 2HG GLU 44 2HG GLU 44 -8.118 16.585 3.423
311 H GLY 45 H GLY 45 -6.951 12.449 1.921
312 1HA GLY 45 1HA GLY 45 -6.416 11.848 -0.827
313 2HA GLY 45 2HA GLY 45 -5.054 11.480 0.243
314 H ASN 46 H ASN 46 -6.150 9.306 -0.863
315 HA ASN 46 HA ASN 46 -8.066 8.144 1.096
316 1HB ASN 46 1HB ASN 46 -6.928 6.969 -1.460
317 2HB ASN 46 2HB ASN 46 -8.024 6.178 -0.393
318 1HD2 ASN 46 1HD2 ASN 46 -9.878 5.806 -1.379
319 2HD2 ASN 46 2HD2 ASN 46 -10.806 7.087 -2.142
320 H GLY 47 H GLY 47 -7.271 5.575 1.076
321 1HA GLY 47 1HA GLY 47 -5.097 5.662 3.041
322 2HA GLY 47 2HA GLY 47 -6.303 4.394 2.789
323 H ASN 48 H ASN 48 -5.250 4.908 -0.352
324 HA ASN 48 HA ASN 48 -3.272 2.728 -0.058
325 1HB ASN 48 1HB ASN 48 -4.732 2.710 -2.054
326 2HB ASN 48 2HB ASN 48 -3.908 4.099 -2.694
327 1HD2 ASN 48 1HD2 ASN 48 -3.652 1.925 -4.244
328 2HD2 ASN 48 2HD2 ASN 48 -2.155 1.084 -4.123
329 H ASN 49 H ASN 49 -2.238 4.131 1.462
330 HA ASN 49 HA ASN 49 -0.029 5.745 0.361
331 1HB ASN 49 1HB ASN 49 -2.016 7.202 0.979
332 2HB ASN 49 2HB ASN 49 -1.982 6.522 2.603
333 1HD2 ASN 49 1HD2 ASN 49 -1.571 9.307 1.500
334 2HD2 ASN 49 2HD2 ASN 49 -0.066 9.858 2.173
335 H PHE 50 H PHE 50 1.565 4.457 1.076
336 HA PHE 50 HA PHE 50 1.325 3.075 3.678
337 1HB PHE 50 1HB PHE 50 2.689 2.193 1.126
338 2HB PHE 50 2HB PHE 50 3.102 1.500 2.619
339 HD1 PHE 50 1HD PHE 50 1.592 -0.005 3.843
340 HD2 PHE 50 2HD PHE 50 0.232 1.996 0.262
341 HE1 PHE 50 1HE PHE 50 -0.421 -1.442 3.795
342 HE2 PHE 50 2HE PHE 50 -1.776 0.543 0.233
343 HZ PHE 50 HZ PHE 50 -2.104 -1.173 1.980
344 H HIS 51 H HIS 51 3.189 2.740 4.743
345 HA HIS 51 HA HIS 51 4.671 5.214 5.169
346 1HB HIS 51 1HB HIS 51 5.094 2.525 6.580
347 2HB HIS 51 2HB HIS 51 5.086 4.125 7.263
348 HD1 HIS 51 1HD HIS 51 3.071 1.118 6.922
349 HD2 HIS 51 2HD HIS 51 2.160 5.247 6.866
350 HE1 HIS 51 1HE HIS 51 0.485 1.348 7.116
351 HE2 HIS 51 2HE HIS 51 -0.063 3.700 7.047
352 H SER 52 H SER 52 5.172 2.041 3.686
353 HA SER 52 HA SER 52 7.876 2.597 2.862
354 1HB SER 52 1HB SER 52 8.704 0.457 4.134
355 2HB SER 52 2HB SER 52 8.660 1.982 4.970
356 HG SER 52 HG SER 52 7.629 0.085 6.153
357 H ARG 53 H ARG 53 8.724 0.721 1.629
358 HA ARG 53 HA ARG 53 6.734 -0.620 0.127
359 1HB ARG 53 1HB ARG 53 9.152 -0.124 -0.423
360 2HB ARG 53 2HB ARG 53 9.549 -1.632 0.431
361 1HG ARG 53 1HG ARG 53 8.050 -2.945 -0.998
362 2HG ARG 53 2HG ARG 53 7.308 -1.477 -1.663
363 1HD ARG 53 1HD ARG 53 8.750 -1.902 -3.313
364 2HD ARG 53 2HD ARG 53 9.557 -0.735 -2.319
365 HE ARG 53 HE ARG 53 11.189 -2.375 -1.727
366 1HH1 ARG 53 2HH2 ARG 53 8.868 -4.054 -3.870
367 2HH1 ARG 53 1HH2 ARG 53 8.900 -5.502 -2.853
368 1HH2 ARG 53 2HH1 ARG 53 11.410 -4.572 -0.685
369 2HH2 ARG 53 1HH1 ARG 53 10.276 -5.763 -1.235
370 H GLU 54 H GLU 54 8.823 -1.461 2.856
371 HA GLU 54 HA GLU 54 8.315 -4.103 3.419
372 1HB GLU 54 1HB GLU 54 9.976 -2.918 4.560
373 2HB GLU 54 2HB GLU 54 8.970 -1.617 5.028
374 1HG GLU 54 1HG GLU 54 8.529 -4.396 6.192
375 2HG GLU 54 2HG GLU 54 9.822 -3.360 6.796
376 H SER 55 H SER 55 6.716 -1.511 5.213
377 HA SER 55 HA SER 55 4.755 -3.080 6.269
378 1HB SER 55 1HB SER 55 3.340 -1.060 6.622
379 2HB SER 55 2HB SER 55 5.032 -0.888 7.124
380 HG SER 55 HG SER 55 5.451 0.344 5.390
381 H CYS 56 H CYS 56 4.588 -1.692 3.051
382 HA CYS 56 HA CYS 56 1.848 -2.413 2.555
383 1HB CYS 56 1HB CYS 56 3.413 -0.651 1.467
384 2HB CYS 56 2HB CYS 56 4.176 -1.950 0.606
385 H GLU 57 H GLU 57 4.915 -3.882 1.614
386 HA GLU 57 HA GLU 57 3.743 -6.221 0.341
387 1HB GLU 57 1HB GLU 57 6.385 -5.759 1.816
388 2HB GLU 57 2HB GLU 57 6.011 -7.299 1.044
389 1HG GLU 57 1HG GLU 57 6.020 -6.160 -1.145
390 2HG GLU 57 2HG GLU 57 6.445 -4.645 -0.365
391 H ASP 58 H ASP 58 4.391 -5.317 3.678
392 HA ASP 58 HA ASP 58 4.043 -8.046 4.655
393 1HB ASP 58 1HB ASP 58 5.556 -6.185 5.659
394 2HB ASP 58 2HB ASP 58 4.068 -5.552 6.369
395 H ALA 59 H ALA 59 1.981 -5.175 4.039
396 HA ALA 59 HA ALA 59 -0.273 -6.296 5.512
397 1HB ALA 59 1HB ALA 59 -1.468 -4.375 4.486
398 2HB ALA 59 2HB ALA 59 0.003 -3.878 5.345
399 3HB ALA 59 3HB ALA 59 -0.008 -3.960 3.568
400 H CYS 60 H CYS 60 0.403 -5.698 1.968
401 HA CYS 60 HA CYS 60 -1.923 -7.457 1.372
402 1HB CYS 60 1HB CYS 60 -0.742 -5.030 0.038
403 2HB CYS 60 2HB CYS 60 -1.674 -6.179 -0.910
404 HA PRO 61 HA PRO 61 0.382 -10.537 -0.472
405 1HB PRO 61 1HB PRO 61 -0.835 -11.214 -2.863
406 2HB PRO 61 2HB PRO 61 -1.467 -11.599 -1.237
407 1HG PRO 61 1HG PRO 61 -2.217 -9.275 -3.029
408 2HG PRO 61 2HG PRO 61 -3.303 -10.362 -2.110
409 1HD PRO 61 1HD PRO 61 -2.649 -7.931 -1.167
410 2HD PRO 61 2HD PRO 61 -2.757 -9.318 -0.054
411 H VAL 62 H VAL 62 2.360 -10.113 -0.938
412 HA VAL 62 HA VAL 62 3.336 -9.565 -3.582
413 HB VAL 62 HB VAL 62 4.506 -7.998 -1.241
414 1HG1 VAL 62 1HG1 VAL 62 6.090 -8.162 -3.044
415 2HG1 VAL 62 2HG1 VAL 62 4.830 -7.885 -4.274
416 3HG1 VAL 62 3HG1 VAL 62 5.381 -6.578 -3.216
417 1HG2 VAL 62 1HG2 VAL 62 2.301 -7.016 -1.491
418 2HG2 VAL 62 2HG2 VAL 62 3.498 -5.910 -2.138
419 3HG2 VAL 62 3HG2 VAL 62 2.522 -6.893 -3.258
420 H VAL 63 H VAL 63 6.063 -9.877 -2.877
421 HA VAL 63 HA VAL 63 6.116 -12.563 -1.801
422 HB VAL 63 HB VAL 63 8.521 -10.802 -1.642
423 1HG1 VAL 63 1HG1 VAL 63 8.653 -13.092 -0.820
424 2HG1 VAL 63 2HG1 VAL 63 8.175 -13.711 -2.420
425 3HG1 VAL 63 3HG1 VAL 63 9.720 -12.859 -2.212
426 1HG2 VAL 63 1HG2 VAL 63 9.131 -11.346 -4.032
427 2HG2 VAL 63 2HG2 VAL 63 7.486 -11.971 -4.275
428 3HG2 VAL 63 3HG2 VAL 63 7.758 -10.246 -3.919
429 H ASP 64 H ASP 64 6.263 -13.057 0.291
430 HA ASP 64 HA ASP 64 5.750 -10.832 2.215
431 1HB ASP 64 1HB ASP 64 3.950 -12.459 2.105
432 2HB ASP 64 2HB ASP 64 5.074 -13.778 2.483
433 H HIS 65 H HIS 65 7.001 -10.473 3.896
434 HA HIS 65 HA HIS 65 9.592 -11.638 4.170
435 1HB HIS 65 1HB HIS 65 8.170 -10.068 6.391
436 2HB HIS 65 2HB HIS 65 9.864 -10.087 5.954
437 HD1 HIS 65 1HD HIS 65 6.832 -8.094 5.651
438 HD2 HIS 65 2HD HIS 65 10.099 -8.985 3.085
439 HE1 HIS 65 1HE HIS 65 6.750 -6.430 3.719
440 HE2 HIS 65 2HE HIS 65 8.721 -6.932 2.154
441 H HIS 66 H HIS 66 6.688 -11.490 6.123
442 HA HIS 66 HA HIS 66 5.706 -13.824 6.560
443 1HB HIS 66 1HB HIS 66 8.076 -13.741 8.366
444 2HB HIS 66 2HB HIS 66 6.539 -14.149 9.121
445 HD1 HIS 66 1HD HIS 66 8.398 -15.300 5.922
446 HD2 HIS 66 2HD HIS 66 5.751 -16.633 8.927
447 HE1 HIS 66 1HE HIS 66 7.909 -17.798 5.412
448 HE2 HIS 66 2HE HIS 66 6.301 -18.599 7.272
449 H HIS 67 H HIS 67 3.998 -12.413 6.457
450 HA HIS 67 HA HIS 67 3.523 -9.945 7.279
451 1HB HIS 67 1HB HIS 67 1.627 -12.295 7.383
452 2HB HIS 67 2HB HIS 67 1.106 -10.702 7.909
453 HD1 HIS 67 1HD HIS 67 3.328 -10.757 4.779
454 HD2 HIS 67 2HD HIS 67 -0.681 -10.310 6.054
455 HE1 HIS 67 1HE HIS 67 2.033 -9.678 2.842
456 HE2 HIS 67 2HE HIS 67 -0.369 -9.338 3.697
457 H HIS 68 H HIS 68 4.223 -8.910 9.100
458 HA HIS 68 HA HIS 68 4.218 -10.336 11.691
459 1HB HIS 68 1HB HIS 68 5.644 -8.530 12.527
460 2HB HIS 68 2HB HIS 68 6.313 -9.416 11.179
461 HD1 HIS 68 1HD HIS 68 6.331 -8.007 8.720
462 HD2 HIS 68 2HD HIS 68 5.355 -5.852 12.211
463 HE1 HIS 68 1HE HIS 68 6.877 -5.580 8.240
464 HE2 HIS 68 2HE HIS 68 6.241 -4.243 10.225
465 H HIS 69 H HIS 69 1.747 -9.946 10.958
466 HA HIS 69 HA HIS 69 0.556 -7.559 12.154
467 1HB HIS 69 1HB HIS 69 -1.510 -8.402 11.469
468 2HB HIS 69 2HB HIS 69 -0.442 -8.976 10.213
469 HD1 HIS 69 1HD HIS 69 -2.953 -10.206 12.814
470 HD2 HIS 69 2HD HIS 69 0.335 -11.804 10.647
471 HE1 HIS 69 1HE HIS 69 -3.089 -12.647 13.064
472 HE2 HIS 69 2HE HIS 69 -1.126 -13.689 11.741
473 H HIS 70 H HIS 70 -1.556 -8.639 13.685
474 HA HIS 70 HA HIS 70 -0.502 -10.249 15.854
475 1HB HIS 70 1HB HIS 70 -1.807 -7.485 16.094
476 2HB HIS 70 2HB HIS 70 -1.948 -8.729 17.332
477 HD1 HIS 70 1HD HIS 70 1.472 -8.859 15.894
478 HD2 HIS 70 2HD HIS 70 -0.663 -6.758 18.884
479 HE1 HIS 70 1HE HIS 70 3.242 -7.850 17.500
480 HE2 HIS 70 2HE HIS 70 1.916 -6.565 19.316
Start of MODEL 3
1 1H GLU 1 1H GLU 1 2.032 -8.613 7.414
2 2H GLU 1 2H GLU 1 0.723 -9.513 7.931
3 3H GLU 1 H GLU 1 0.561 -7.938 7.452
4 HA GLU 1 HA GLU 1 1.310 -8.489 5.249
5 1HB GLU 1 1HB GLU 1 2.363 -10.582 5.951
6 2HB GLU 1 2HB GLU 1 0.797 -11.379 5.953
7 1HG GLU 1 1HG GLU 1 0.578 -11.196 3.623
8 2HG GLU 1 2HG GLU 1 1.611 -9.758 3.536
9 H ALA 2 H ALA 2 -0.519 -9.350 3.597
10 HA ALA 2 HA ALA 2 -3.204 -8.781 4.569
11 1HB ALA 2 1HB ALA 2 -2.681 -8.457 2.198
12 2HB ALA 2 2HB ALA 2 -2.205 -10.168 2.036
13 3HB ALA 2 3HB ALA 2 -3.891 -9.733 2.391
14 H GLU 3 H GLU 3 -3.126 -10.069 6.468
15 HA GLU 3 HA GLU 3 -2.757 -12.981 6.167
16 1HB GLU 3 1HB GLU 3 -3.324 -11.609 8.803
17 2HB GLU 3 2HB GLU 3 -2.454 -13.115 8.501
18 1HG GLU 3 1HG GLU 3 -1.027 -11.131 7.081
19 2HG GLU 3 2HG GLU 3 -1.486 -10.340 8.583
20 H ALA 4 H ALA 4 -5.287 -10.718 6.381
21 HA ALA 4 HA ALA 4 -7.352 -12.838 6.443
22 1HB ALA 4 1HB ALA 4 -8.901 -11.105 7.318
23 2HB ALA 4 2HB ALA 4 -7.600 -11.467 8.472
24 3HB ALA 4 3HB ALA 4 -7.545 -9.975 7.499
25 H GLU 5 H GLU 5 -7.125 -13.088 4.287
26 HA GLU 5 HA GLU 5 -6.409 -11.620 2.241
27 1HB GLU 5 1HB GLU 5 -8.439 -13.854 2.344
28 2HB GLU 5 2HB GLU 5 -7.789 -13.218 0.820
29 1HG GLU 5 1HG GLU 5 -5.493 -13.682 1.526
30 2HG GLU 5 2HG GLU 5 -6.038 -14.237 3.108
31 H PHE 6 H PHE 6 -9.262 -10.667 3.733
32 HA PHE 6 HA PHE 6 -10.996 -9.786 1.687
33 1HB PHE 6 1HB PHE 6 -11.567 -9.767 4.071
34 2HB PHE 6 2HB PHE 6 -10.292 -8.597 4.398
35 HD1 PHE 6 1HD PHE 6 -13.698 -9.064 3.042
36 HD2 PHE 6 2HD PHE 6 -10.507 -6.227 3.689
37 HE1 PHE 6 1HE PHE 6 -15.251 -7.190 2.552
38 HE2 PHE 6 2HE PHE 6 -12.049 -4.374 3.166
39 HZ PHE 6 HZ PHE 6 -14.425 -4.842 2.600
40 H THR 7 H THR 7 -11.146 -7.918 0.485
41 HA THR 7 HA THR 7 -8.728 -6.875 -0.504
42 HB THR 7 HB THR 7 -11.581 -5.909 -0.978
43 HG1 THR 7 1HG THR 7 -10.196 -8.197 -1.840
44 1HG2 THR 7 1HG2 THR 7 -9.161 -6.002 -2.820
45 2HG2 THR 7 2HG2 THR 7 -10.771 -5.367 -3.224
46 3HG2 THR 7 3HG2 THR 7 -9.769 -4.537 -2.022
47 H ASP 8 H ASP 8 -7.588 -5.744 1.093
48 HA ASP 8 HA ASP 8 -8.631 -3.454 2.478
49 1HB ASP 8 1HB ASP 8 -6.650 -4.560 3.311
50 2HB ASP 8 2HB ASP 8 -5.811 -4.355 1.767
51 H ALA 9 H ALA 9 -7.705 -1.281 2.134
52 HA ALA 9 HA ALA 9 -8.479 0.035 -0.273
53 1HB ALA 9 1HB ALA 9 -6.469 0.859 1.870
54 2HB ALA 9 2HB ALA 9 -7.242 1.931 0.683
55 3HB ALA 9 3HB ALA 9 -8.226 1.142 1.940
56 H CYS 10 H CYS 10 -5.456 -1.670 0.570
57 HA CYS 10 HA CYS 10 -3.633 -0.518 -1.147
58 1HB CYS 10 1HB CYS 10 -2.458 -2.566 -0.955
59 2HB CYS 10 2HB CYS 10 -3.356 -2.379 0.526
60 H VAL 11 H VAL 11 -6.398 -2.607 -2.096
61 HA VAL 11 HA VAL 11 -5.377 -2.969 -4.814
62 HB VAL 11 HB VAL 11 -8.103 -3.531 -3.581
63 1HG1 VAL 11 1HG1 VAL 11 -8.471 -5.106 -5.410
64 2HG1 VAL 11 2HG1 VAL 11 -8.250 -3.487 -6.066
65 3HG1 VAL 11 3HG1 VAL 11 -6.920 -4.667 -6.152
66 1HG2 VAL 11 1HG2 VAL 11 -6.496 -4.868 -2.421
67 2HG2 VAL 11 2HG2 VAL 11 -7.122 -5.948 -3.661
68 3HG2 VAL 11 3HG2 VAL 11 -5.549 -5.177 -3.894
69 H LEU 12 H LEU 12 -6.913 -0.393 -3.231
70 HA LEU 12 HA LEU 12 -8.339 0.738 -5.474
71 1HB LEU 12 1HB LEU 12 -9.514 1.181 -3.812
72 2HB LEU 12 2HB LEU 12 -8.296 1.138 -2.566
73 HG LEU 12 HG LEU 12 -7.784 3.548 -3.263
74 1HD1 LEU 12 1HD1 LEU 12 -10.017 4.611 -4.266
75 2HD1 LEU 12 2HD1 LEU 12 -8.784 4.003 -5.353
76 3HD1 LEU 12 3HD1 LEU 12 -10.240 3.023 -5.007
77 1HD2 LEU 12 1HD2 LEU 12 -8.993 2.892 -1.267
78 2HD2 LEU 12 2HD2 LEU 12 -9.820 4.296 -1.967
79 3HD2 LEU 12 3HD2 LEU 12 -10.498 2.670 -2.171
80 HA PRO 13 HA PRO 13 -4.740 2.834 -7.037
81 1HB PRO 13 1HB PRO 13 -6.800 4.913 -7.749
82 2HB PRO 13 2HB PRO 13 -5.491 4.246 -8.767
83 1HG PRO 13 1HG PRO 13 -8.070 3.379 -9.059
84 2HG PRO 13 2HG PRO 13 -6.689 2.243 -9.177
85 1HD PRO 13 1HD PRO 13 -8.617 2.591 -6.887
86 2HD PRO 13 2HD PRO 13 -7.787 1.142 -7.450
87 H ALA 14 H ALA 14 -3.571 4.782 -6.694
88 HA ALA 14 HA ALA 14 -3.899 5.892 -3.986
89 1HB ALA 14 1HB ALA 14 -1.725 6.338 -6.092
90 2HB ALA 14 2HB ALA 14 -1.667 6.815 -4.384
91 3HB ALA 14 3HB ALA 14 -1.677 5.101 -4.812
92 H VAL 15 H VAL 15 -3.675 8.287 -3.703
93 HA VAL 15 HA VAL 15 -4.439 9.991 -5.963
94 HB VAL 15 HB VAL 15 -5.923 9.782 -3.328
95 1HG1 VAL 15 1HG1 VAL 15 -6.128 12.040 -5.349
96 2HG1 VAL 15 2HG1 VAL 15 -7.292 11.732 -4.042
97 3HG1 VAL 15 3HG1 VAL 15 -5.640 12.143 -3.628
98 1HG2 VAL 15 1HG2 VAL 15 -7.940 9.549 -4.737
99 2HG2 VAL 15 2HG2 VAL 15 -6.948 9.712 -6.206
100 3HG2 VAL 15 3HG2 VAL 15 -6.762 8.301 -5.153
101 H GLN 16 H GLN 16 -3.611 12.034 -5.643
102 HA GLN 16 HA GLN 16 -1.311 12.106 -3.770
103 1HB GLN 16 1HB GLN 16 -1.747 14.083 -6.018
104 2HB GLN 16 2HB GLN 16 -0.257 13.643 -5.175
105 1HG GLN 16 1HG GLN 16 -0.646 11.269 -6.242
106 2HG GLN 16 2HG GLN 16 -1.765 12.100 -7.313
107 1HE2 GLN 16 1HE2 GLN 16 0.078 14.646 -7.267
108 2HE2 GLN 16 2HE2 GLN 16 1.358 14.146 -8.352
109 H GLY 17 H GLY 17 -4.353 13.660 -4.360
110 1HA GLY 17 1HA GLY 17 -5.536 15.128 -3.077
111 2HA GLY 17 2HA GLY 17 -4.119 15.462 -2.080
112 HA PRO 18 HA PRO 18 -4.924 18.773 -5.376
113 1HB PRO 18 1HB PRO 18 -5.967 20.831 -3.897
114 2HB PRO 18 2HB PRO 18 -6.940 19.463 -4.510
115 1HG PRO 18 1HG PRO 18 -5.715 19.777 -1.750
116 2HG PRO 18 2HG PRO 18 -7.404 19.354 -2.182
117 1HD PRO 18 1HD PRO 18 -5.548 17.451 -1.567
118 2HD PRO 18 2HD PRO 18 -6.779 17.152 -2.806
119 H CYS 19 H CYS 19 -2.804 18.428 -2.822
120 HA CYS 19 HA CYS 19 -1.717 21.001 -2.375
121 1HB CYS 19 1HB CYS 19 -0.436 18.251 -2.200
122 2HB CYS 19 2HB CYS 19 0.255 19.696 -1.513
123 H ARG 20 H ARG 20 0.736 21.288 -2.744
124 HA ARG 20 HA ARG 20 1.647 20.555 -5.436
125 1HB ARG 20 1HB ARG 20 1.307 23.395 -4.489
126 2HB ARG 20 2HB ARG 20 2.588 22.946 -5.597
127 1HG ARG 20 1HG ARG 20 1.190 23.045 -7.321
128 2HG ARG 20 2HG ARG 20 0.256 21.712 -6.693
129 1HD ARG 20 1HD ARG 20 -0.182 24.647 -6.065
130 2HD ARG 20 2HD ARG 20 -1.074 23.702 -7.264
131 HE ARG 20 HE ARG 20 -1.863 22.241 -5.403
132 1HH1 ARG 20 2HH2 ARG 20 -1.056 25.637 -4.715
133 2HH1 ARG 20 1HH2 ARG 20 -2.236 25.815 -3.464
134 1HH2 ARG 20 2HH1 ARG 20 -3.439 22.494 -3.857
135 2HH2 ARG 20 1HH1 ARG 20 -3.645 23.935 -2.913
136 H GLY 21 H GLY 21 2.196 20.134 -2.507
137 1HA GLY 21 1HA GLY 21 5.169 20.467 -2.477
138 2HA GLY 21 2HA GLY 21 4.163 20.246 -0.999
139 H TRP 22 H TRP 22 6.204 18.238 -2.066
140 HA TRP 22 HA TRP 22 4.331 16.060 -2.775
141 1HB TRP 22 1HB TRP 22 7.014 16.608 -4.025
142 2HB TRP 22 2HB TRP 22 5.952 15.273 -4.393
143 HD1 TRP 22 HD TRP 22 6.969 18.301 -5.861
144 HE1 TRP 22 1HE TRP 22 5.242 19.520 -7.285
145 HE3 TRP 22 3HE TRP 22 2.716 15.890 -4.280
146 HZ2 TRP 22 2HZ TRP 22 2.370 19.474 -7.707
147 HZ3 TRP 22 3HZ TRP 22 0.517 16.519 -5.193
148 HH2 TRP 22 HH TRP 22 0.329 18.294 -6.915
149 H GLU 23 H GLU 23 4.235 14.883 -1.183
150 HA GLU 23 HA GLU 23 6.434 14.209 0.678
151 1HB GLU 23 1HB GLU 23 4.375 15.119 1.622
152 2HB GLU 23 2HB GLU 23 3.376 13.995 0.710
153 1HG GLU 23 1HG GLU 23 3.386 13.279 2.935
154 2HG GLU 23 2HG GLU 23 4.269 12.107 1.976
155 HA PRO 24 HA PRO 24 6.375 10.396 -2.013
156 1HB PRO 24 1HB PRO 24 8.573 9.166 -0.980
157 2HB PRO 24 2HB PRO 24 8.678 10.547 -2.114
158 1HG PRO 24 1HG PRO 24 8.897 10.602 0.912
159 2HG PRO 24 2HG PRO 24 9.971 11.384 -0.291
160 1HD PRO 24 1HD PRO 24 7.979 12.735 0.967
161 2HD PRO 24 2HD PRO 24 8.379 13.075 -0.741
162 H ARG 25 H ARG 25 5.079 8.795 -1.672
163 HA ARG 25 HA ARG 25 5.125 7.354 0.923
164 1HB ARG 25 1HB ARG 25 2.656 8.408 -0.524
165 2HB ARG 25 2HB ARG 25 2.556 7.100 0.657
166 1HG ARG 25 1HG ARG 25 3.665 9.876 1.257
167 2HG ARG 25 2HG ARG 25 2.031 9.321 1.613
168 1HD ARG 25 1HD ARG 25 2.901 7.535 3.053
169 2HD ARG 25 2HD ARG 25 4.559 8.047 2.754
170 HE ARG 25 HE ARG 25 2.504 9.475 4.325
171 1HH1 ARG 25 2HH2 ARG 25 5.775 9.719 2.822
172 2HH1 ARG 25 1HH2 ARG 25 6.179 11.091 3.725
173 1HH2 ARG 25 2HH1 ARG 25 3.243 11.243 5.699
174 2HH2 ARG 25 1HH1 ARG 25 4.725 11.993 5.259
175 H TRP 26 H TRP 26 3.628 5.270 0.517
176 HA TRP 26 HA TRP 26 4.647 3.998 -1.982
177 1HB TRP 26 1HB TRP 26 4.600 3.071 0.917
178 2HB TRP 26 2HB TRP 26 4.612 1.925 -0.417
179 HD1 TRP 26 HD TRP 26 6.823 4.712 1.098
180 HE1 TRP 26 1HE TRP 26 9.232 4.377 0.328
181 HE3 TRP 26 3HE TRP 26 6.114 0.672 -1.924
182 HZ2 TRP 26 2HZ TRP 26 10.673 2.595 -1.510
183 HZ3 TRP 26 3HZ TRP 26 7.911 -0.042 -3.494
184 HH2 TRP 26 HH TRP 26 10.205 0.722 -3.129
185 H ALA 27 H ALA 27 3.023 2.873 -3.131
186 HA ALA 27 HA ALA 27 0.486 2.359 -1.705
187 1HB ALA 27 1HB ALA 27 0.672 3.763 -4.404
188 2HB ALA 27 2HB ALA 27 -0.778 2.952 -3.805
189 3HB ALA 27 3HB ALA 27 -0.149 4.328 -2.911
190 H TYR 28 H TYR 28 -0.519 0.517 -2.365
191 HA TYR 28 HA TYR 28 1.155 -1.436 -3.752
192 1HB TYR 28 1HB TYR 28 -0.242 -2.027 -1.764
193 2HB TYR 28 2HB TYR 28 -1.664 -1.634 -2.693
194 HD1 TYR 28 1HD TYR 28 -2.706 -3.318 -4.119
195 HD2 TYR 28 2HD TYR 28 1.250 -3.986 -2.536
196 HE1 TYR 28 1HE TYR 28 -2.790 -5.676 -4.857
197 HE2 TYR 28 2HE TYR 28 1.178 -6.302 -3.318
198 HH TYR 28 HH TYR 28 -0.193 -7.983 -4.071
199 H SER 29 H SER 29 0.770 -2.338 -5.745
200 HA SER 29 HA SER 29 -1.453 -1.248 -7.354
201 1HB SER 29 1HB SER 29 1.469 -1.545 -7.975
202 2HB SER 29 2HB SER 29 0.326 -1.532 -9.289
203 HG SER 29 HG SER 29 -0.161 0.265 -7.241
204 HA PRO 30 HA PRO 30 -2.074 -5.743 -7.186
205 1HB PRO 30 1HB PRO 30 -4.534 -5.808 -8.427
206 2HB PRO 30 2HB PRO 30 -4.309 -5.416 -6.694
207 1HG PRO 30 1HG PRO 30 -4.647 -3.505 -9.019
208 2HG PRO 30 2HG PRO 30 -5.451 -3.453 -7.423
209 1HD PRO 30 1HD PRO 30 -3.298 -1.923 -7.985
210 2HD PRO 30 2HD PRO 30 -3.507 -2.640 -6.360
211 H LEU 31 H LEU 31 -2.502 -3.584 -9.976
212 HA LEU 31 HA LEU 31 -2.153 -5.495 -12.054
213 1HB LEU 31 1HB LEU 31 -1.831 -2.512 -11.860
214 2HB LEU 31 2HB LEU 31 -1.395 -3.369 -13.334
215 HG LEU 31 HG LEU 31 -4.123 -3.738 -12.034
216 1HD1 LEU 31 1HD1 LEU 31 -3.798 -1.372 -12.540
217 2HD1 LEU 31 2HD1 LEU 31 -3.299 -1.781 -14.203
218 3HD1 LEU 31 3HD1 LEU 31 -4.965 -2.107 -13.656
219 1HD2 LEU 31 1HD2 LEU 31 -4.788 -4.433 -14.334
220 2HD2 LEU 31 2HD2 LEU 31 -3.108 -4.244 -14.878
221 3HD2 LEU 31 3HD2 LEU 31 -3.535 -5.490 -13.690
222 H LEU 32 H LEU 32 0.158 -4.237 -9.785
223 HA LEU 32 HA LEU 32 2.442 -5.278 -11.398
224 1HB LEU 32 1HB LEU 32 2.077 -3.160 -9.289
225 2HB LEU 32 2HB LEU 32 3.654 -3.843 -9.523
226 HG LEU 32 HG LEU 32 2.103 -2.567 -11.815
227 1HD1 LEU 32 1HD1 LEU 32 3.616 -0.612 -11.508
228 2HD1 LEU 32 2HD1 LEU 32 2.513 -0.847 -10.152
229 3HD1 LEU 32 3HD1 LEU 32 4.222 -1.339 -10.001
230 1HD2 LEU 32 1HD2 LEU 32 4.337 -2.453 -12.899
231 2HD2 LEU 32 2HD2 LEU 32 5.056 -3.297 -11.508
232 3HD2 LEU 32 3HD2 LEU 32 3.881 -4.118 -12.551
233 H GLN 33 H GLN 33 0.244 -6.054 -8.985
234 HA GLN 33 HA GLN 33 -0.065 -7.150 -7.291
235 1HB GLN 33 1HB GLN 33 0.632 -8.794 -9.163
236 2HB GLN 33 2HB GLN 33 2.151 -8.967 -8.253
237 1HG GLN 33 1HG GLN 33 0.553 -9.311 -6.238
238 2HG GLN 33 2HG GLN 33 -0.681 -9.626 -7.411
239 1HE2 GLN 33 1HE2 GLN 33 0.014 -11.228 -9.274
240 2HE2 GLN 33 2HE2 GLN 33 0.826 -12.677 -8.691
241 H GLN 34 H GLN 34 1.888 -4.924 -7.020
242 HA GLN 34 HA GLN 34 2.978 -5.558 -4.447
243 1HB GLN 34 1HB GLN 34 4.741 -6.591 -6.095
244 2HB GLN 34 2HB GLN 34 5.181 -4.924 -6.450
245 1HG GLN 34 1HG GLN 34 5.795 -4.528 -4.104
246 2HG GLN 34 2HG GLN 34 5.101 -6.077 -3.626
247 1HE2 GLN 34 1HE2 GLN 34 6.442 -7.912 -3.722
248 2HE2 GLN 34 2HE2 GLN 34 8.058 -7.903 -4.423
249 H CYS 35 H CYS 35 4.254 -3.681 -3.618
250 HA CYS 35 HA CYS 35 2.947 -1.194 -4.368
251 1HB CYS 35 1HB CYS 35 5.019 -1.843 -2.227
252 2HB CYS 35 2HB CYS 35 4.135 -0.324 -2.402
253 H HIS 36 H HIS 36 3.841 0.682 -4.758
254 HA HIS 36 HA HIS 36 6.741 0.814 -5.417
255 1HB HIS 36 1HB HIS 36 6.325 1.999 -7.521
256 2HB HIS 36 2HB HIS 36 5.641 0.383 -7.559
257 HD1 HIS 36 1HD HIS 36 4.428 4.060 -7.072
258 HD2 HIS 36 2HD HIS 36 2.994 0.189 -8.113
259 HE1 HIS 36 1HE HIS 36 1.963 4.316 -7.750
260 HE2 HIS 36 2HE HIS 36 1.160 1.903 -8.395
261 HA PRO 37 HA PRO 37 6.386 4.734 -3.288
262 1HB PRO 37 1HB PRO 37 8.152 5.984 -5.367
263 2HB PRO 37 2HB PRO 37 8.382 5.916 -3.594
264 1HG PRO 37 1HG PRO 37 9.849 4.362 -5.317
265 2HG PRO 37 2HG PRO 37 9.325 3.770 -3.715
266 1HD PRO 37 1HD PRO 37 8.125 3.157 -6.406
267 2HD PRO 37 2HD PRO 37 8.388 2.094 -5.008
268 H PHE 38 H PHE 38 5.443 7.066 -3.704
269 HA PHE 38 HA PHE 38 4.761 7.711 -6.401
270 1HB PHE 38 1HB PHE 38 2.440 7.631 -6.369
271 2HB PHE 38 2HB PHE 38 2.909 6.059 -5.776
272 HD1 PHE 38 1HD PHE 38 2.860 5.709 -3.159
273 HD2 PHE 38 2HD PHE 38 0.876 8.945 -5.206
274 HE1 PHE 38 1HE PHE 38 1.253 5.964 -1.260
275 HE2 PHE 38 2HE PHE 38 -0.652 9.216 -3.303
276 HZ PHE 38 HZ PHE 38 -0.492 7.703 -1.332
277 H VAL 39 H VAL 39 3.536 9.844 -6.391
278 HA VAL 39 HA VAL 39 4.724 11.585 -4.337
279 HB VAL 39 HB VAL 39 3.459 12.011 -7.085
280 1HG1 VAL 39 1HG1 VAL 39 2.727 13.900 -5.813
281 2HG1 VAL 39 2HG1 VAL 39 4.286 14.050 -4.997
282 3HG1 VAL 39 3HG1 VAL 39 4.139 14.449 -6.727
283 1HG2 VAL 39 1HG2 VAL 39 5.699 12.877 -7.657
284 2HG2 VAL 39 2HG2 VAL 39 6.264 12.549 -6.005
285 3HG2 VAL 39 3HG2 VAL 39 5.807 11.210 -7.082
286 H TYR 40 H TYR 40 3.491 12.204 -2.657
287 HA TYR 40 HA TYR 40 0.562 12.364 -2.930
288 1HB TYR 40 1HB TYR 40 0.938 10.376 -1.716
289 2HB TYR 40 2HB TYR 40 2.293 11.026 -0.843
290 HD1 TYR 40 1HD TYR 40 2.060 11.852 1.283
291 HD2 TYR 40 2HD TYR 40 -1.439 11.485 -1.220
292 HE1 TYR 40 1HE TYR 40 0.646 12.408 3.209
293 HE2 TYR 40 2HE TYR 40 -2.871 12.093 0.701
294 HH TYR 40 HH TYR 40 -2.785 13.099 2.873
295 H GLY 41 H GLY 41 -0.193 14.009 -1.093
296 1HA GLY 41 1HA GLY 41 1.792 16.263 -1.102
297 2HA GLY 41 2HA GLY 41 0.066 16.388 -1.365
298 H GLY 42 H GLY 42 0.058 14.307 1.157
299 1HA GLY 42 1HA GLY 42 0.108 14.593 3.496
300 2HA GLY 42 2HA GLY 42 0.463 16.318 3.312
301 H CYS 43 H CYS 43 -1.686 16.609 1.258
302 HA CYS 43 HA CYS 43 -4.038 16.968 2.920
303 1HB CYS 43 1HB CYS 43 -4.981 17.617 0.580
304 2HB CYS 43 2HB CYS 43 -3.798 18.641 1.342
305 H GLU 44 H GLU 44 -6.096 16.292 1.513
306 HA GLU 44 HA GLU 44 -7.020 13.857 1.934
307 1HB GLU 44 1HB GLU 44 -7.503 15.329 -0.670
308 2HB GLU 44 2HB GLU 44 -8.537 14.123 0.083
309 1HG GLU 44 1HG GLU 44 -9.589 16.026 0.772
310 2HG GLU 44 2HG GLU 44 -8.541 15.760 2.155
311 H GLY 45 H GLY 45 -6.832 11.737 1.216
312 1HA GLY 45 1HA GLY 45 -6.003 11.033 -1.401
313 2HA GLY 45 2HA GLY 45 -4.751 10.648 -0.203
314 H ASN 46 H ASN 46 -5.688 8.394 -1.199
315 HA ASN 46 HA ASN 46 -8.121 7.570 0.306
316 1HB ASN 46 1HB ASN 46 -6.582 5.820 -1.625
317 2HB ASN 46 2HB ASN 46 -8.189 5.583 -0.989
318 1HD2 ASN 46 1HD2 ASN 46 -7.564 5.566 -3.879
319 2HD2 ASN 46 2HD2 ASN 46 -8.513 6.917 -4.469
320 H GLY 47 H GLY 47 -7.816 5.111 0.918
321 1HA GLY 47 1HA GLY 47 -6.082 5.121 3.234
322 2HA GLY 47 2HA GLY 47 -7.088 3.771 2.690
323 H ASN 48 H ASN 48 -5.588 4.128 -0.051
324 HA ASN 48 HA ASN 48 -3.433 2.234 0.479
325 1HB ASN 48 1HB ASN 48 -4.858 2.138 -1.541
326 2HB ASN 48 2HB ASN 48 -4.240 3.639 -2.126
327 1HD2 ASN 48 1HD2 ASN 48 -3.916 1.635 -3.773
328 2HD2 ASN 48 2HD2 ASN 48 -2.399 0.787 -3.761
329 H ASN 49 H ASN 49 -2.494 3.792 2.068
330 HA ASN 49 HA ASN 49 -0.368 5.375 0.719
331 1HB ASN 49 1HB ASN 49 -2.266 6.898 1.421
332 2HB ASN 49 2HB ASN 49 -2.055 6.359 3.077
333 1HD2 ASN 49 1HD2 ASN 49 -1.446 8.880 1.131
334 2HD2 ASN 49 2HD2 ASN 49 -0.029 9.542 1.876
335 H PHE 50 H PHE 50 1.305 4.137 1.307
336 HA PHE 50 HA PHE 50 1.572 3.208 4.087
337 1HB PHE 50 1HB PHE 50 2.764 2.046 1.559
338 2HB PHE 50 2HB PHE 50 3.040 1.442 3.119
339 HD1 PHE 50 1HD PHE 50 0.537 1.513 0.423
340 HD2 PHE 50 2HD PHE 50 1.074 0.694 4.631
341 HE1 PHE 50 1HE PHE 50 -1.689 0.408 0.521
342 HE2 PHE 50 2HE PHE 50 -1.206 -0.269 4.714
343 HZ PHE 50 HZ PHE 50 -2.588 -0.415 2.661
344 H HIS 51 H HIS 51 3.834 3.023 4.766
345 HA HIS 51 HA HIS 51 5.059 5.684 4.203
346 1HB HIS 51 1HB HIS 51 5.192 3.943 6.669
347 2HB HIS 51 2HB HIS 51 5.748 5.588 6.460
348 HD1 HIS 51 1HD HIS 51 3.348 7.149 5.317
349 HD2 HIS 51 2HD HIS 51 2.777 3.512 7.349
350 HE1 HIS 51 1HE HIS 51 0.804 6.768 5.457
351 HE2 HIS 51 2HE HIS 51 0.459 4.606 6.739
352 H SER 52 H SER 52 5.595 2.470 3.702
353 HA SER 52 HA SER 52 8.396 2.878 2.921
354 1HB SER 52 1HB SER 52 9.089 0.930 4.549
355 2HB SER 52 2HB SER 52 8.977 2.581 5.159
356 HG SER 52 HG SER 52 7.814 0.662 6.330
357 H ARG 53 H ARG 53 9.335 0.967 2.015
358 HA ARG 53 HA ARG 53 7.609 -0.506 0.255
359 1HB ARG 53 1HB ARG 53 9.927 0.011 -0.253
360 2HB ARG 53 2HB ARG 53 10.489 -0.917 1.119
361 1HG ARG 53 1HG ARG 53 10.728 -1.994 -1.121
362 2HG ARG 53 2HG ARG 53 9.969 -2.961 0.134
363 1HD ARG 53 1HD ARG 53 7.708 -2.281 -0.966
364 2HD ARG 53 2HD ARG 53 8.618 -1.587 -2.247
365 HE ARG 53 HE ARG 53 8.910 -3.688 -3.120
366 1HH1 ARG 53 2HH2 ARG 53 8.019 -4.171 0.350
367 2HH1 ARG 53 1HH2 ARG 53 8.170 -5.895 0.176
368 1HH2 ARG 53 2HH1 ARG 53 8.950 -5.955 -3.186
369 2HH2 ARG 53 1HH1 ARG 53 8.603 -6.860 -1.732
370 H GLU 54 H GLU 54 9.112 -1.194 3.334
371 HA GLU 54 HA GLU 54 8.423 -3.897 3.795
372 1HB GLU 54 1HB GLU 54 10.138 -2.909 5.001
373 2HB GLU 54 2HB GLU 54 9.373 -1.404 5.213
374 1HG GLU 54 1HG GLU 54 7.985 -3.511 6.759
375 2HG GLU 54 2HG GLU 54 9.718 -3.474 7.098
376 H SER 55 H SER 55 7.030 -1.152 5.536
377 HA SER 55 HA SER 55 4.776 -2.395 6.338
378 1HB SER 55 1HB SER 55 3.579 -0.268 6.598
379 2HB SER 55 2HB SER 55 5.245 -0.193 7.174
380 HG SER 55 HG SER 55 5.825 1.026 5.527
381 H CYS 56 H CYS 56 5.114 -1.031 3.116
382 HA CYS 56 HA CYS 56 2.348 -1.327 2.430
383 1HB CYS 56 1HB CYS 56 4.294 0.031 1.349
384 2HB CYS 56 2HB CYS 56 4.675 -1.416 0.470
385 H GLU 57 H GLU 57 5.210 -3.406 1.704
386 HA GLU 57 HA GLU 57 3.322 -5.403 0.598
387 1HB GLU 57 1HB GLU 57 6.190 -5.843 1.295
388 2HB GLU 57 2HB GLU 57 5.083 -7.191 1.077
389 1HG GLU 57 1HG GLU 57 4.463 -6.095 -1.202
390 2HG GLU 57 2HG GLU 57 5.961 -5.208 -1.033
391 H ASP 58 H ASP 58 4.508 -4.794 3.911
392 HA ASP 58 HA ASP 58 3.287 -7.241 4.794
393 1HB ASP 58 1HB ASP 58 5.034 -5.989 6.128
394 2HB ASP 58 2HB ASP 58 3.712 -4.930 6.668
395 H ALA 59 H ALA 59 1.918 -4.075 3.868
396 HA ALA 59 HA ALA 59 -0.655 -4.732 5.082
397 1HB ALA 59 1HB ALA 59 0.003 -2.790 2.819
398 2HB ALA 59 2HB ALA 59 -1.512 -2.900 3.730
399 3HB ALA 59 3HB ALA 59 -0.017 -2.411 4.557
400 H CYS 60 H CYS 60 0.604 -4.738 1.658
401 HA CYS 60 HA CYS 60 -1.035 -7.114 1.060
402 1HB CYS 60 1HB CYS 60 -1.071 -4.475 -0.384
403 2HB CYS 60 2HB CYS 60 -1.572 -5.990 -1.122
404 HA PRO 61 HA PRO 61 3.060 -7.719 -0.871
405 1HB PRO 61 1HB PRO 61 3.355 -10.346 -0.330
406 2HB PRO 61 2HB PRO 61 3.133 -9.214 1.024
407 1HG PRO 61 1HG PRO 61 0.949 -10.810 -0.410
408 2HG PRO 61 2HG PRO 61 1.362 -10.873 1.321
409 1HD PRO 61 1HD PRO 61 -0.557 -9.196 0.325
410 2HD PRO 61 2HD PRO 61 0.494 -8.707 1.691
411 H VAL 62 H VAL 62 3.827 -9.782 -2.210
412 HA VAL 62 HA VAL 62 2.227 -10.190 -4.695
413 HB VAL 62 HB VAL 62 5.116 -10.735 -3.847
414 1HG1 VAL 62 1HG1 VAL 62 5.685 -11.176 -6.273
415 2HG1 VAL 62 2HG1 VAL 62 4.927 -12.488 -5.427
416 3HG1 VAL 62 3HG1 VAL 62 3.968 -11.472 -6.548
417 1HG2 VAL 62 1HG2 VAL 62 5.760 -9.082 -5.483
418 2HG2 VAL 62 2HG2 VAL 62 4.117 -8.965 -6.084
419 3HG2 VAL 62 3HG2 VAL 62 4.492 -8.373 -4.449
420 H VAL 63 H VAL 63 3.182 -12.839 -5.098
421 HA VAL 63 HA VAL 63 1.503 -14.518 -3.744
422 HB VAL 63 HB VAL 63 4.288 -15.458 -4.403
423 1HG1 VAL 63 1HG1 VAL 63 1.586 -16.853 -4.548
424 2HG1 VAL 63 2HG1 VAL 63 3.142 -17.562 -5.030
425 3HG1 VAL 63 3HG1 VAL 63 2.864 -17.140 -3.342
426 1HG2 VAL 63 1HG2 VAL 63 3.440 -15.935 -6.736
427 2HG2 VAL 63 2HG2 VAL 63 1.975 -15.002 -6.354
428 3HG2 VAL 63 3HG2 VAL 63 3.562 -14.211 -6.408
429 H ASP 64 H ASP 64 1.447 -15.585 -2.002
430 HA ASP 64 HA ASP 64 1.650 -14.646 0.448
431 1HB ASP 64 1HB ASP 64 0.444 -16.645 -0.410
432 2HB ASP 64 2HB ASP 64 1.940 -17.574 -0.362
433 H HIS 65 H HIS 65 3.414 -13.832 1.786
434 HA HIS 65 HA HIS 65 5.935 -15.169 1.582
435 1HB HIS 65 1HB HIS 65 5.334 -12.665 3.133
436 2HB HIS 65 2HB HIS 65 6.838 -13.310 2.658
437 HD1 HIS 65 1HD HIS 65 5.209 -13.317 -0.596
438 HD2 HIS 65 2HD HIS 65 6.457 -10.352 2.161
439 HE1 HIS 65 1HE HIS 65 5.741 -11.224 -1.942
440 HE2 HIS 65 2HE HIS 65 6.490 -9.406 -0.322
441 H HIS 66 H HIS 66 3.706 -13.835 4.081
442 HA HIS 66 HA HIS 66 4.749 -15.508 6.297
443 1HB HIS 66 1HB HIS 66 2.264 -13.745 5.965
444 2HB HIS 66 2HB HIS 66 2.624 -14.647 7.414
445 HD1 HIS 66 1HD HIS 66 2.307 -12.449 8.760
446 HD2 HIS 66 2HD HIS 66 5.016 -12.090 5.585
447 HE1 HIS 66 1HE HIS 66 3.379 -10.225 9.014
448 HE2 HIS 66 2HE HIS 66 4.807 -9.883 7.028
449 H HIS 67 H HIS 67 4.462 -17.445 4.750
450 HA HIS 67 HA HIS 67 2.400 -18.266 3.433
451 1HB HIS 67 1HB HIS 67 4.481 -19.810 4.750
452 2HB HIS 67 2HB HIS 67 3.019 -20.745 4.431
453 HD1 HIS 67 1HD HIS 67 2.410 -21.289 1.910
454 HD2 HIS 67 2HD HIS 67 5.270 -18.224 2.446
455 HE1 HIS 67 1HE HIS 67 3.026 -20.481 -0.394
456 HE2 HIS 67 2HE HIS 67 4.686 -18.496 -0.029
457 H HIS 68 H HIS 68 0.483 -17.697 3.777
458 HA HIS 68 HA HIS 68 -1.166 -18.695 6.010
459 1HB HIS 68 1HB HIS 68 -2.061 -17.305 3.438
460 2HB HIS 68 2HB HIS 68 -2.951 -17.422 4.950
461 HD1 HIS 68 1HD HIS 68 -0.172 -15.391 3.263
462 HD2 HIS 68 2HD HIS 68 -1.864 -15.907 7.092
463 HE1 HIS 68 1HE HIS 68 0.495 -13.379 4.582
464 HE2 HIS 68 2HE HIS 68 -0.337 -13.808 7.014
465 H HIS 69 H HIS 69 -0.232 -19.602 2.748
466 HA HIS 69 HA HIS 69 -2.213 -21.829 2.685
467 1HB HIS 69 1HB HIS 69 -1.394 -19.918 0.442
468 2HB HIS 69 2HB HIS 69 -2.410 -21.334 0.215
469 HD1 HIS 69 1HD HIS 69 -3.982 -20.239 3.202
470 HD2 HIS 69 2HD HIS 69 -3.527 -18.507 -0.646
471 HE1 HIS 69 1HE HIS 69 -5.922 -18.555 2.861
472 HE2 HIS 69 2HE HIS 69 -5.592 -17.477 0.638
473 H HIS 70 H HIS 70 -1.359 -23.003 0.380
474 HA HIS 70 HA HIS 70 1.084 -24.348 1.154
475 1HB HIS 70 1HB HIS 70 -0.738 -25.405 -0.249
476 2HB HIS 70 2HB HIS 70 -0.359 -24.254 -1.540
477 HD1 HIS 70 1HD HIS 70 2.911 -24.684 -0.961
478 HD2 HIS 70 2HD HIS 70 -0.115 -27.465 -1.940
479 HE1 HIS 70 1HE HIS 70 4.104 -26.715 -2.077
480 HE2 HIS 70 2HE HIS 70 2.230 -28.406 -2.665
Start of MODEL 4
1 1H GLU 1 1H GLU 1 -15.708 -5.921 -9.535
2 2H GLU 1 2H GLU 1 -14.610 -7.137 -9.849
3 3H GLU 1 H GLU 1 -14.405 -5.636 -10.516
4 HA GLU 1 HA GLU 1 -14.521 -5.981 -7.645
5 1HB GLU 1 1HB GLU 1 -11.949 -5.965 -9.302
6 2HB GLU 1 2HB GLU 1 -12.081 -5.876 -7.550
7 1HG GLU 1 1HG GLU 1 -11.578 -8.088 -7.795
8 2HG GLU 1 2HG GLU 1 -13.340 -8.175 -7.752
9 H ALA 2 H ALA 2 -14.940 -3.905 -6.877
10 HA ALA 2 HA ALA 2 -13.529 -1.622 -7.954
11 1HB ALA 2 1HB ALA 2 -15.433 -1.826 -9.571
12 2HB ALA 2 2HB ALA 2 -16.577 -1.860 -8.216
13 3HB ALA 2 3HB ALA 2 -15.624 -0.395 -8.545
14 H GLU 3 H GLU 3 -14.156 0.337 -6.631
15 HA GLU 3 HA GLU 3 -14.406 -0.147 -3.851
16 1HB GLU 3 1HB GLU 3 -14.871 2.355 -5.525
17 2HB GLU 3 2HB GLU 3 -14.764 2.335 -3.756
18 1HG GLU 3 1HG GLU 3 -12.464 1.502 -3.840
19 2HG GLU 3 2HG GLU 3 -12.539 1.328 -5.591
20 H ALA 4 H ALA 4 -16.813 0.084 -6.335
21 HA ALA 4 HA ALA 4 -19.100 0.535 -4.565
22 1HB ALA 4 1HB ALA 4 -20.393 0.210 -6.636
23 2HB ALA 4 2HB ALA 4 -19.067 1.355 -6.914
24 3HB ALA 4 3HB ALA 4 -18.937 -0.331 -7.490
25 H GLU 5 H GLU 5 -17.113 -2.133 -4.947
26 HA GLU 5 HA GLU 5 -19.317 -4.087 -4.448
27 1HB GLU 5 1HB GLU 5 -16.607 -4.544 -5.781
28 2HB GLU 5 2HB GLU 5 -17.770 -5.798 -5.368
29 1HG GLU 5 1HG GLU 5 -19.255 -5.109 -7.116
30 2HG GLU 5 2HG GLU 5 -18.409 -3.567 -7.338
31 H PHE 6 H PHE 6 -15.775 -4.149 -4.197
32 HA PHE 6 HA PHE 6 -15.498 -3.538 -1.460
33 1HB PHE 6 1HB PHE 6 -16.218 -5.892 -1.228
34 2HB PHE 6 2HB PHE 6 -15.022 -6.410 -2.408
35 HD1 PHE 6 1HD PHE 6 -15.345 -4.732 0.939
36 HD2 PHE 6 2HD PHE 6 -12.741 -6.820 -1.792
37 HE1 PHE 6 1HE PHE 6 -13.534 -4.713 2.640
38 HE2 PHE 6 2HE PHE 6 -10.939 -6.802 -0.084
39 HZ PHE 6 HZ PHE 6 -11.327 -5.734 2.127
40 H THR 7 H THR 7 -13.319 -2.816 -1.298
41 HA THR 7 HA THR 7 -11.249 -3.784 -3.065
42 HB THR 7 HB THR 7 -12.503 -1.037 -3.358
43 HG1 THR 7 1HG THR 7 -12.834 -3.026 -4.715
44 1HG2 THR 7 1HG2 THR 7 -10.097 -0.586 -3.025
45 2HG2 THR 7 2HG2 THR 7 -9.713 -1.738 -4.320
46 3HG2 THR 7 3HG2 THR 7 -10.618 -0.263 -4.685
47 H ASP 8 H ASP 8 -9.668 -4.088 -1.556
48 HA ASP 8 HA ASP 8 -9.654 -2.638 1.007
49 1HB ASP 8 1HB ASP 8 -8.760 -4.915 0.995
50 2HB ASP 8 2HB ASP 8 -7.625 -4.495 -0.304
51 H ALA 9 H ALA 9 -7.757 -1.282 1.565
52 HA ALA 9 HA ALA 9 -7.351 0.889 -0.224
53 1HB ALA 9 1HB ALA 9 -5.547 -0.093 2.024
54 2HB ALA 9 2HB ALA 9 -5.369 1.441 1.165
55 3HB ALA 9 3HB ALA 9 -6.826 1.154 2.138
56 H CYS 10 H CYS 10 -5.442 -2.151 0.246
57 HA CYS 10 HA CYS 10 -3.263 -1.198 -1.348
58 1HB CYS 10 1HB CYS 10 -2.287 -3.231 -0.965
59 2HB CYS 10 2HB CYS 10 -3.399 -3.106 0.379
60 H VAL 11 H VAL 11 -6.372 -2.455 -2.306
61 HA VAL 11 HA VAL 11 -5.499 -3.002 -5.077
62 HB VAL 11 HB VAL 11 -8.194 -3.199 -3.667
63 1HG1 VAL 11 1HG1 VAL 11 -8.534 -2.798 -6.098
64 2HG1 VAL 11 2HG1 VAL 11 -7.459 -4.155 -6.472
65 3HG1 VAL 11 3HG1 VAL 11 -8.998 -4.432 -5.634
66 1HG2 VAL 11 1HG2 VAL 11 -6.647 -4.908 -2.863
67 2HG2 VAL 11 2HG2 VAL 11 -7.862 -5.648 -3.902
68 3HG2 VAL 11 3HG2 VAL 11 -6.226 -5.355 -4.530
69 H LEU 12 H LEU 12 -6.895 -0.440 -3.089
70 HA LEU 12 HA LEU 12 -8.220 0.960 -5.169
71 1HB LEU 12 1HB LEU 12 -9.147 1.428 -3.352
72 2HB LEU 12 2HB LEU 12 -7.716 1.345 -2.308
73 HG LEU 12 HG LEU 12 -7.238 3.717 -2.993
74 1HD1 LEU 12 1HD1 LEU 12 -9.565 4.826 -3.871
75 2HD1 LEU 12 2HD1 LEU 12 -8.309 4.308 -4.994
76 3HD1 LEU 12 3HD1 LEU 12 -9.722 3.280 -4.658
77 1HD2 LEU 12 1HD2 LEU 12 -8.419 3.162 -0.925
78 2HD2 LEU 12 2HD2 LEU 12 -9.145 4.625 -1.636
79 3HD2 LEU 12 3HD2 LEU 12 -9.966 3.080 -1.800
80 HA PRO 13 HA PRO 13 -4.788 2.944 -7.178
81 1HB PRO 13 1HB PRO 13 -6.864 5.096 -7.557
82 2HB PRO 13 2HB PRO 13 -5.717 4.432 -8.755
83 1HG PRO 13 1HG PRO 13 -8.325 3.616 -8.731
84 2HG PRO 13 2HG PRO 13 -6.996 2.451 -9.033
85 1HD PRO 13 1HD PRO 13 -8.606 2.827 -6.516
86 2HD PRO 13 2HD PRO 13 -7.911 1.360 -7.187
87 H ALA 14 H ALA 14 -3.520 4.833 -6.999
88 HA ALA 14 HA ALA 14 -3.472 6.007 -4.275
89 1HB ALA 14 1HB ALA 14 -1.240 6.825 -4.952
90 2HB ALA 14 2HB ALA 14 -1.363 5.071 -5.173
91 3HB ALA 14 3HB ALA 14 -1.469 6.161 -6.582
92 H VAL 15 H VAL 15 -3.705 8.243 -3.962
93 HA VAL 15 HA VAL 15 -4.292 9.971 -6.296
94 HB VAL 15 HB VAL 15 -5.840 9.607 -3.732
95 1HG1 VAL 15 1HG1 VAL 15 -7.266 11.529 -4.321
96 2HG1 VAL 15 2HG1 VAL 15 -5.641 11.986 -3.846
97 3HG1 VAL 15 3HG1 VAL 15 -6.097 11.997 -5.579
98 1HG2 VAL 15 1HG2 VAL 15 -7.784 9.380 -5.264
99 2HG2 VAL 15 2HG2 VAL 15 -6.735 9.698 -6.662
100 3HG2 VAL 15 3HG2 VAL 15 -6.526 8.221 -5.707
101 H GLN 16 H GLN 16 -3.652 12.074 -5.943
102 HA GLN 16 HA GLN 16 -1.292 12.319 -4.199
103 1HB GLN 16 1HB GLN 16 -2.467 14.455 -6.039
104 2HB GLN 16 2HB GLN 16 -0.929 14.478 -5.187
105 1HG GLN 16 1HG GLN 16 -0.409 12.290 -6.550
106 2HG GLN 16 2HG GLN 16 -1.743 12.823 -7.587
107 1HE2 GLN 16 1HE2 GLN 16 1.526 13.466 -6.509
108 2HE2 GLN 16 2HE2 GLN 16 1.764 14.952 -7.447
109 H GLY 17 H GLY 17 -4.356 14.149 -4.668
110 1HA GLY 17 1HA GLY 17 -5.676 14.641 -2.608
111 2HA GLY 17 2HA GLY 17 -4.150 15.220 -1.909
112 HA PRO 18 HA PRO 18 -6.171 18.659 -4.390
113 1HB PRO 18 1HB PRO 18 -6.939 20.351 -2.368
114 2HB PRO 18 2HB PRO 18 -7.960 19.024 -2.993
115 1HG PRO 18 1HG PRO 18 -6.243 19.053 -0.512
116 2HG PRO 18 2HG PRO 18 -7.897 18.413 -0.707
117 1HD PRO 18 1HD PRO 18 -5.655 16.813 -0.786
118 2HD PRO 18 2HD PRO 18 -7.126 16.442 -1.714
119 H CYS 19 H CYS 19 -4.021 18.764 -1.502
120 HA CYS 19 HA CYS 19 -2.903 21.307 -2.150
121 1HB CYS 19 1HB CYS 19 -1.539 19.170 -0.505
122 2HB CYS 19 2HB CYS 19 -1.327 20.891 -0.376
123 H ARG 20 H ARG 20 -0.620 21.637 -2.529
124 HA ARG 20 HA ARG 20 0.440 19.882 -4.699
125 1HB ARG 20 1HB ARG 20 0.185 22.835 -4.693
126 2HB ARG 20 2HB ARG 20 1.503 22.067 -5.555
127 1HG ARG 20 1HG ARG 20 -0.364 22.453 -7.079
128 2HG ARG 20 2HG ARG 20 0.004 20.752 -6.891
129 1HD ARG 20 1HD ARG 20 -2.054 20.797 -5.210
130 2HD ARG 20 2HD ARG 20 -2.466 22.256 -6.071
131 HE ARG 20 HE ARG 20 -2.473 20.962 -8.117
132 1HH1 ARG 20 2HH2 ARG 20 -2.392 18.881 -5.211
133 2HH1 ARG 20 1HH2 ARG 20 -3.421 17.684 -5.827
134 1HH2 ARG 20 2HH1 ARG 20 -3.750 19.231 -9.043
135 2HH2 ARG 20 1HH1 ARG 20 -3.979 17.781 -8.130
136 H GLY 21 H GLY 21 1.024 20.382 -1.741
137 1HA GLY 21 1HA GLY 21 3.970 20.846 -1.729
138 2HA GLY 21 2HA GLY 21 2.983 20.272 -0.337
139 H TRP 22 H TRP 22 5.398 18.626 -1.249
140 HA TRP 22 HA TRP 22 3.988 16.367 -2.469
141 1HB TRP 22 1HB TRP 22 6.646 17.557 -3.320
142 2HB TRP 22 2HB TRP 22 6.041 16.017 -3.857
143 HD1 TRP 22 HD TRP 22 6.716 18.866 -5.440
144 HE1 TRP 22 1HE TRP 22 5.065 19.699 -7.195
145 HE3 TRP 22 3HE TRP 22 2.533 16.218 -4.016
146 HZ2 TRP 22 2HZ TRP 22 2.333 19.218 -7.969
147 HZ3 TRP 22 3HZ TRP 22 0.436 16.460 -5.268
148 HH2 TRP 22 HH TRP 22 0.315 17.918 -7.270
149 H GLU 23 H GLU 23 4.218 14.796 -1.357
150 HA GLU 23 HA GLU 23 6.398 14.274 0.614
151 1HB GLU 23 1HB GLU 23 4.460 15.136 1.727
152 2HB GLU 23 2HB GLU 23 3.362 14.165 0.752
153 1HG GLU 23 1HG GLU 23 3.300 13.251 2.858
154 2HG GLU 23 2HG GLU 23 4.158 12.123 1.826
155 HA PRO 24 HA PRO 24 6.389 10.498 -2.184
156 1HB PRO 24 1HB PRO 24 8.537 9.253 -1.106
157 2HB PRO 24 2HB PRO 24 8.692 10.673 -2.184
158 1HG PRO 24 1HG PRO 24 8.794 10.619 0.846
159 2HG PRO 24 2HG PRO 24 9.917 11.437 -0.286
160 1HD PRO 24 1HD PRO 24 7.880 12.747 0.948
161 2HD PRO 24 2HD PRO 24 8.357 13.158 -0.726
162 H ARG 25 H ARG 25 5.246 8.830 -1.992
163 HA ARG 25 HA ARG 25 5.068 7.347 0.556
164 1HB ARG 25 1HB ARG 25 2.736 8.358 -1.142
165 2HB ARG 25 2HB ARG 25 2.547 7.005 -0.022
166 1HG ARG 25 1HG ARG 25 3.461 9.789 0.787
167 2HG ARG 25 2HG ARG 25 1.827 9.142 0.951
168 1HD ARG 25 1HD ARG 25 2.670 7.332 2.410
169 2HD ARG 25 2HD ARG 25 4.307 7.981 2.312
170 HE ARG 25 HE ARG 25 1.967 9.074 3.671
171 1HH1 ARG 25 2HH2 ARG 25 5.342 9.655 2.593
172 2HH1 ARG 25 1HH2 ARG 25 5.631 10.965 3.617
173 1HH2 ARG 25 2HH1 ARG 25 2.327 11.049 4.951
174 2HH2 ARG 25 1HH1 ARG 25 3.888 11.814 4.906
175 H TRP 26 H TRP 26 3.788 5.282 0.041
176 HA TRP 26 HA TRP 26 4.681 4.073 -2.490
177 1HB TRP 26 1HB TRP 26 4.935 3.063 0.381
178 2HB TRP 26 2HB TRP 26 4.996 1.988 -1.008
179 HD1 TRP 26 HD TRP 26 6.920 4.990 0.515
180 HE1 TRP 26 1HE TRP 26 9.325 4.965 -0.326
181 HE3 TRP 26 3HE TRP 26 6.650 0.878 -2.442
182 HZ2 TRP 26 2HZ TRP 26 10.850 3.545 -2.392
183 HZ3 TRP 26 3HZ TRP 26 8.445 0.436 -4.147
184 HH2 TRP 26 HH TRP 26 10.568 1.694 -4.053
185 H ALA 27 H ALA 27 3.066 2.666 -3.352
186 HA ALA 27 HA ALA 27 0.606 2.220 -1.786
187 1HB ALA 27 1HB ALA 27 0.745 3.443 -4.584
188 2HB ALA 27 2HB ALA 27 -0.709 2.692 -3.904
189 3HB ALA 27 3HB ALA 27 -0.040 4.124 -3.131
190 H TYR 28 H TYR 28 -0.363 0.257 -2.348
191 HA TYR 28 HA TYR 28 1.387 -1.642 -3.755
192 1HB TYR 28 1HB TYR 28 0.108 -2.200 -1.587
193 2HB TYR 28 2HB TYR 28 -1.356 -2.055 -2.507
194 HD1 TYR 28 1HD TYR 28 -1.975 -3.797 -4.225
195 HD2 TYR 28 2HD TYR 28 1.446 -4.278 -1.645
196 HE1 TYR 28 1HE TYR 28 -1.886 -6.202 -4.748
197 HE2 TYR 28 2HE TYR 28 1.647 -6.613 -2.337
198 HH TYR 28 HH TYR 28 0.374 -8.420 -3.253
199 H SER 29 H SER 29 0.903 -2.625 -5.658
200 HA SER 29 HA SER 29 -1.485 -1.790 -7.170
201 1HB SER 29 1HB SER 29 1.417 -1.884 -7.969
202 2HB SER 29 2HB SER 29 0.178 -1.897 -9.195
203 HG SER 29 HG SER 29 -0.342 -0.165 -7.144
204 HA PRO 30 HA PRO 30 -1.577 -6.330 -6.858
205 1HB PRO 30 1HB PRO 30 -4.102 -6.739 -7.875
206 2HB PRO 30 2HB PRO 30 -3.798 -6.231 -6.186
207 1HG PRO 30 1HG PRO 30 -4.546 -4.502 -8.557
208 2HG PRO 30 2HG PRO 30 -5.214 -4.466 -6.896
209 1HD PRO 30 1HD PRO 30 -3.299 -2.721 -7.734
210 2HD PRO 30 2HD PRO 30 -3.326 -3.337 -6.058
211 H LEU 31 H LEU 31 -2.484 -4.358 -9.657
212 HA LEU 31 HA LEU 31 -2.063 -6.298 -11.697
213 1HB LEU 31 1HB LEU 31 -2.116 -3.293 -11.623
214 2HB LEU 31 2HB LEU 31 -1.673 -4.147 -13.098
215 HG LEU 31 HG LEU 31 -4.235 -4.796 -11.592
216 1HD1 LEU 31 1HD1 LEU 31 -4.248 -2.435 -12.219
217 2HD1 LEU 31 2HD1 LEU 31 -3.814 -2.864 -13.896
218 3HD1 LEU 31 3HD1 LEU 31 -5.384 -3.363 -13.214
219 1HD2 LEU 31 1HD2 LEU 31 -4.961 -5.679 -13.808
220 2HD2 LEU 31 2HD2 LEU 31 -3.358 -5.315 -14.480
221 3HD2 LEU 31 3HD2 LEU 31 -3.548 -6.544 -13.214
222 H LEU 32 H LEU 32 0.223 -4.732 -9.618
223 HA LEU 32 HA LEU 32 2.485 -5.548 -11.381
224 1HB LEU 32 1HB LEU 32 2.047 -3.407 -9.315
225 2HB LEU 32 2HB LEU 32 3.669 -3.920 -9.644
226 HG LEU 32 HG LEU 32 1.819 -2.897 -11.836
227 1HD1 LEU 32 1HD1 LEU 32 3.966 -1.413 -10.255
228 2HD1 LEU 32 2HD1 LEU 32 3.139 -0.794 -11.705
229 3HD1 LEU 32 3HD1 LEU 32 2.210 -1.095 -10.236
230 1HD2 LEU 32 1HD2 LEU 32 3.665 -4.285 -12.695
231 2HD2 LEU 32 2HD2 LEU 32 3.945 -2.596 -13.101
232 3HD2 LEU 32 3HD2 LEU 32 4.844 -3.346 -11.759
233 H GLN 33 H GLN 33 0.593 -6.479 -8.792
234 HA GLN 33 HA GLN 33 0.740 -7.569 -6.897
235 1HB GLN 33 1HB GLN 33 1.187 -9.245 -8.784
236 2HB GLN 33 2HB GLN 33 2.879 -9.218 -8.295
237 1HG GLN 33 1HG GLN 33 1.252 -9.557 -5.934
238 2HG GLN 33 2HG GLN 33 0.607 -10.641 -7.155
239 1HE2 GLN 33 1HE2 GLN 33 3.901 -9.634 -6.055
240 2HE2 GLN 33 2HE2 GLN 33 4.531 -11.296 -6.006
241 H GLN 34 H GLN 34 2.159 -5.185 -6.771
242 HA GLN 34 HA GLN 34 4.142 -5.686 -4.705
243 1HB GLN 34 1HB GLN 34 5.382 -6.196 -6.906
244 2HB GLN 34 2HB GLN 34 5.060 -4.516 -7.356
245 1HG GLN 34 1HG GLN 34 7.395 -5.154 -6.551
246 2HG GLN 34 2HG GLN 34 6.669 -3.657 -6.014
247 1HE2 GLN 34 1HE2 GLN 34 6.674 -7.140 -4.854
248 2HE2 GLN 34 2HE2 GLN 34 7.119 -6.698 -3.214
249 H CYS 35 H CYS 35 5.281 -3.473 -4.278
250 HA CYS 35 HA CYS 35 3.237 -1.328 -4.504
251 1HB CYS 35 1HB CYS 35 5.376 -1.700 -2.400
252 2HB CYS 35 2HB CYS 35 4.238 -0.355 -2.506
253 H HIS 36 H HIS 36 3.825 0.593 -5.086
254 HA HIS 36 HA HIS 36 6.658 1.018 -6.019
255 1HB HIS 36 1HB HIS 36 5.886 2.207 -8.008
256 2HB HIS 36 2HB HIS 36 5.289 0.558 -7.996
257 HD1 HIS 36 1HD HIS 36 3.970 4.154 -7.232
258 HD2 HIS 36 2HD HIS 36 2.631 0.230 -8.233
259 HE1 HIS 36 1HE HIS 36 1.417 4.273 -7.603
260 HE2 HIS 36 2HE HIS 36 0.674 1.829 -8.207
261 HA PRO 37 HA PRO 37 6.195 4.797 -3.731
262 1HB PRO 37 1HB PRO 37 8.002 6.469 -5.064
263 2HB PRO 37 2HB PRO 37 8.380 5.328 -3.755
264 1HG PRO 37 1HG PRO 37 8.995 5.102 -6.637
265 2HG PRO 37 2HG PRO 37 9.659 4.164 -5.263
266 1HD PRO 37 1HD PRO 37 7.634 3.377 -7.159
267 2HD PRO 37 2HD PRO 37 8.318 2.430 -5.812
268 H PHE 38 H PHE 38 5.568 7.251 -4.102
269 HA PHE 38 HA PHE 38 4.842 8.042 -6.724
270 1HB PHE 38 1HB PHE 38 2.497 8.188 -6.618
271 2HB PHE 38 2HB PHE 38 2.881 6.523 -6.303
272 HD1 PHE 38 1HD PHE 38 1.038 9.391 -5.203
273 HD2 PHE 38 2HD PHE 38 2.804 5.700 -3.813
274 HE1 PHE 38 1HE PHE 38 -0.540 9.340 -3.314
275 HE2 PHE 38 2HE PHE 38 1.184 5.690 -1.906
276 HZ PHE 38 HZ PHE 38 -0.468 7.479 -1.652
277 H VAL 39 H VAL 39 3.775 10.289 -6.553
278 HA VAL 39 HA VAL 39 4.885 11.681 -4.175
279 HB VAL 39 HB VAL 39 3.986 12.729 -6.899
280 1HG1 VAL 39 1HG1 VAL 39 3.593 14.377 -5.133
281 2HG1 VAL 39 2HG1 VAL 39 5.212 14.099 -4.472
282 3HG1 VAL 39 3HG1 VAL 39 5.006 14.869 -6.069
283 1HG2 VAL 39 1HG2 VAL 39 6.396 13.255 -7.208
284 2HG2 VAL 39 2HG2 VAL 39 6.774 12.437 -5.680
285 3HG2 VAL 39 3HG2 VAL 39 6.136 11.515 -7.063
286 H TYR 40 H TYR 40 3.456 11.935 -2.606
287 HA TYR 40 HA TYR 40 0.549 12.124 -3.127
288 1HB TYR 40 1HB TYR 40 0.960 10.298 -1.721
289 2HB TYR 40 2HB TYR 40 2.319 11.036 -0.950
290 HD1 TYR 40 1HD TYR 40 2.133 11.722 1.190
291 HD2 TYR 40 2HD TYR 40 -1.426 11.590 -1.241
292 HE1 TYR 40 1HE TYR 40 0.775 12.263 3.176
293 HE2 TYR 40 2HE TYR 40 -2.769 12.258 0.732
294 HH TYR 40 HH TYR 40 -2.555 13.148 2.944
295 H GLY 41 H GLY 41 -0.496 13.860 -1.677
296 1HA GLY 41 1HA GLY 41 1.203 16.236 -1.851
297 2HA GLY 41 2HA GLY 41 -0.524 16.213 -1.897
298 H GLY 42 H GLY 42 0.474 14.216 0.634
299 1HA GLY 42 1HA GLY 42 0.972 14.424 2.826
300 2HA GLY 42 2HA GLY 42 1.271 16.152 2.645
301 H CYS 43 H CYS 43 -1.397 16.756 1.603
302 HA CYS 43 HA CYS 43 -3.046 16.502 4.024
303 1HB CYS 43 1HB CYS 43 -4.323 18.263 3.181
304 2HB CYS 43 2HB CYS 43 -2.656 18.681 2.872
305 H GLU 44 H GLU 44 -5.572 16.392 2.978
306 HA GLU 44 HA GLU 44 -6.396 13.889 3.047
307 1HB GLU 44 1HB GLU 44 -7.563 15.808 1.029
308 2HB GLU 44 2HB GLU 44 -8.336 14.416 1.784
309 1HG GLU 44 1HG GLU 44 -9.160 16.138 3.042
310 2HG GLU 44 2HG GLU 44 -7.845 15.578 4.052
311 H GLY 45 H GLY 45 -6.439 11.974 1.826
312 1HA GLY 45 1HA GLY 45 -6.270 11.800 -0.983
313 2HA GLY 45 2HA GLY 45 -4.713 11.375 -0.262
314 H ASN 46 H ASN 46 -5.430 9.121 -1.173
315 HA ASN 46 HA ASN 46 -7.647 7.911 0.340
316 1HB ASN 46 1HB ASN 46 -5.928 6.426 -1.652
317 2HB ASN 46 2HB ASN 46 -7.516 6.029 -1.076
318 1HD2 ASN 46 1HD2 ASN 46 -7.389 5.865 -3.756
319 2HD2 ASN 46 2HD2 ASN 46 -8.291 7.222 -4.371
320 H GLY 47 H GLY 47 -7.198 5.515 0.810
321 1HA GLY 47 1HA GLY 47 -5.436 5.546 3.142
322 2HA GLY 47 2HA GLY 47 -6.562 4.262 2.694
323 H ASN 48 H ASN 48 -5.033 4.397 -0.109
324 HA ASN 48 HA ASN 48 -3.055 2.327 0.564
325 1HB ASN 48 1HB ASN 48 -4.596 2.364 -1.468
326 2HB ASN 48 2HB ASN 48 -3.631 3.610 -2.135
327 1HD2 ASN 48 1HD2 ASN 48 -3.789 1.363 -3.582
328 2HD2 ASN 48 2HD2 ASN 48 -2.379 0.347 -3.548
329 H ASN 49 H ASN 49 -2.038 3.932 2.037
330 HA ASN 49 HA ASN 49 -0.039 5.672 0.650
331 1HB ASN 49 1HB ASN 49 -2.153 6.835 1.444
332 2HB ASN 49 2HB ASN 49 -1.772 6.339 3.077
333 1HD2 ASN 49 1HD2 ASN 49 -1.637 8.850 0.978
334 2HD2 ASN 49 2HD2 ASN 49 -0.381 9.807 1.699
335 H PHE 50 H PHE 50 1.806 4.638 1.165
336 HA PHE 50 HA PHE 50 2.296 3.724 3.967
337 1HB PHE 50 1HB PHE 50 3.096 2.557 1.273
338 2HB PHE 50 2HB PHE 50 3.865 2.033 2.694
339 HD1 PHE 50 1HD PHE 50 0.842 1.871 0.637
340 HD2 PHE 50 2HD PHE 50 2.405 0.918 4.557
341 HE1 PHE 50 1HE PHE 50 -1.058 0.351 1.035
342 HE2 PHE 50 2HE PHE 50 0.485 -0.597 4.936
343 HZ PHE 50 HZ PHE 50 -1.258 -0.869 3.182
344 H HIS 51 H HIS 51 4.466 4.010 4.760
345 HA HIS 51 HA HIS 51 5.887 6.289 3.441
346 1HB HIS 51 1HB HIS 51 6.103 4.977 6.181
347 2HB HIS 51 2HB HIS 51 7.349 6.035 5.565
348 HD1 HIS 51 1HD HIS 51 6.918 8.649 5.596
349 HD2 HIS 51 2HD HIS 51 3.643 6.215 6.758
350 HE1 HIS 51 1HE HIS 51 5.218 10.197 6.717
351 HE2 HIS 51 2HE HIS 51 3.217 8.717 7.405
352 H SER 52 H SER 52 5.987 2.850 3.323
353 HA SER 52 HA SER 52 8.554 2.932 2.017
354 1HB SER 52 1HB SER 52 9.412 1.074 3.633
355 2HB SER 52 2HB SER 52 9.607 2.764 4.038
356 HG SER 52 HG SER 52 7.358 1.235 4.982
357 H ARG 53 H ARG 53 9.141 0.855 1.071
358 HA ARG 53 HA ARG 53 6.972 -0.416 -0.112
359 1HB ARG 53 1HB ARG 53 9.347 -0.154 -0.874
360 2HB ARG 53 2HB ARG 53 9.758 -1.563 0.129
361 1HG ARG 53 1HG ARG 53 8.184 -2.986 -1.070
362 2HG ARG 53 2HG ARG 53 7.404 -1.584 -1.825
363 1HD ARG 53 1HD ARG 53 8.764 -2.329 -3.510
364 2HD ARG 53 2HD ARG 53 9.500 -0.924 -2.806
365 HE ARG 53 HE ARG 53 11.367 -2.255 -2.255
366 1HH1 ARG 53 2HH2 ARG 53 8.598 -4.402 -2.880
367 2HH1 ARG 53 1HH2 ARG 53 9.263 -5.795 -2.200
368 1HH2 ARG 53 2HH1 ARG 53 12.437 -4.255 -1.459
369 2HH2 ARG 53 1HH1 ARG 53 11.532 -5.727 -1.537
370 H GLU 54 H GLU 54 9.201 -1.635 2.539
371 HA GLU 54 HA GLU 54 8.121 -4.164 2.590
372 1HB GLU 54 1HB GLU 54 10.213 -3.191 3.745
373 2HB GLU 54 2HB GLU 54 9.152 -2.787 5.095
374 1HG GLU 54 1HG GLU 54 8.380 -5.122 5.242
375 2HG GLU 54 2HG GLU 54 9.340 -5.568 3.830
376 H SER 55 H SER 55 7.223 -1.415 4.687
377 HA SER 55 HA SER 55 5.124 -2.561 6.108
378 1HB SER 55 1HB SER 55 4.084 -0.166 5.957
379 2HB SER 55 2HB SER 55 5.665 -0.385 6.720
380 HG SER 55 HG SER 55 5.363 0.342 3.985
381 H CYS 56 H CYS 56 5.005 -1.590 2.725
382 HA CYS 56 HA CYS 56 2.091 -1.728 2.504
383 1HB CYS 56 1HB CYS 56 3.706 -0.148 1.299
384 2HB CYS 56 2HB CYS 56 4.417 -1.505 0.498
385 H GLU 57 H GLU 57 4.886 -3.514 1.387
386 HA GLU 57 HA GLU 57 3.487 -5.808 0.291
387 1HB GLU 57 1HB GLU 57 6.194 -5.511 1.649
388 2HB GLU 57 2HB GLU 57 5.594 -7.074 1.080
389 1HG GLU 57 1HG GLU 57 5.538 -6.162 -1.237
390 2HG GLU 57 2HG GLU 57 6.318 -4.687 -0.630
391 H ASP 58 H ASP 58 4.322 -4.812 3.630
392 HA ASP 58 HA ASP 58 3.737 -7.422 4.708
393 1HB ASP 58 1HB ASP 58 5.287 -5.643 5.759
394 2HB ASP 58 2HB ASP 58 3.801 -4.883 6.366
395 H ALA 59 H ALA 59 1.863 -4.396 4.145
396 HA ALA 59 HA ALA 59 -0.484 -5.312 5.518
397 1HB ALA 59 1HB ALA 59 -0.118 -2.956 4.925
398 2HB ALA 59 2HB ALA 59 -0.192 -3.355 3.192
399 3HB ALA 59 3HB ALA 59 -1.627 -3.563 4.211
400 H CYS 60 H CYS 60 0.308 -5.346 1.981
401 HA CYS 60 HA CYS 60 -1.598 -7.621 1.662
402 1HB CYS 60 1HB CYS 60 -1.028 -5.357 -0.197
403 2HB CYS 60 2HB CYS 60 -1.537 -6.936 -0.805
404 HA PRO 61 HA PRO 61 2.558 -9.242 1.158
405 1HB PRO 61 1HB PRO 61 2.200 -11.741 2.154
406 2HB PRO 61 2HB PRO 61 2.135 -10.285 3.180
407 1HG PRO 61 1HG PRO 61 -0.205 -11.746 1.898
408 2HG PRO 61 2HG PRO 61 0.022 -11.341 3.635
409 1HD PRO 61 1HD PRO 61 -1.395 -9.730 1.967
410 2HD PRO 61 2HD PRO 61 -0.345 -9.052 3.250
411 H VAL 62 H VAL 62 3.435 -11.215 0.514
412 HA VAL 62 HA VAL 62 2.713 -12.637 -1.926
413 HB VAL 62 HB VAL 62 5.438 -11.351 -1.580
414 1HG1 VAL 62 1HG1 VAL 62 3.937 -12.418 -4.021
415 2HG1 VAL 62 2HG1 VAL 62 5.591 -11.763 -4.026
416 3HG1 VAL 62 3HG1 VAL 62 5.241 -13.267 -3.186
417 1HG2 VAL 62 1HG2 VAL 62 4.831 -9.647 -3.316
418 2HG2 VAL 62 2HG2 VAL 62 3.129 -10.127 -3.157
419 3HG2 VAL 62 3HG2 VAL 62 3.990 -9.385 -1.794
420 H VAL 63 H VAL 63 5.283 -13.867 -1.621
421 HA VAL 63 HA VAL 63 4.801 -15.755 0.438
422 HB VAL 63 HB VAL 63 7.656 -14.994 -0.043
423 1HG1 VAL 63 1HG1 VAL 63 8.019 -17.424 0.159
424 2HG1 VAL 63 2HG1 VAL 63 7.181 -16.768 1.570
425 3HG1 VAL 63 3HG1 VAL 63 6.269 -17.672 0.336
426 1HG2 VAL 63 1HG2 VAL 63 5.913 -16.560 -2.014
427 2HG2 VAL 63 2HG2 VAL 63 6.790 -15.046 -2.346
428 3HG2 VAL 63 3HG2 VAL 63 7.688 -16.532 -2.056
429 H ASP 64 H ASP 64 5.083 -15.729 2.551
430 HA ASP 64 HA ASP 64 4.717 -13.296 3.913
431 1HB ASP 64 1HB ASP 64 3.777 -15.334 4.792
432 2HB ASP 64 2HB ASP 64 5.389 -16.028 5.054
433 H HIS 65 H HIS 65 6.075 -11.712 4.526
434 HA HIS 65 HA HIS 65 8.851 -11.727 4.569
435 1HB HIS 65 1HB HIS 65 6.886 -10.220 6.383
436 2HB HIS 65 2HB HIS 65 8.600 -9.900 6.267
437 HD1 HIS 65 1HD HIS 65 6.100 -7.928 5.615
438 HD2 HIS 65 2HD HIS 65 8.920 -9.753 3.019
439 HE1 HIS 65 1HE HIS 65 6.357 -6.399 3.575
440 HE2 HIS 65 2HE HIS 65 8.045 -7.482 1.976
441 H HIS 66 H HIS 66 6.650 -12.113 7.338
442 HA HIS 66 HA HIS 66 7.296 -14.372 8.455
443 1HB HIS 66 1HB HIS 66 9.594 -12.634 9.141
444 2HB HIS 66 2HB HIS 66 8.863 -13.408 10.521
445 HD1 HIS 66 1HD HIS 66 9.781 -14.766 7.017
446 HD2 HIS 66 2HD HIS 66 10.119 -15.568 11.140
447 HE1 HIS 66 1HE HIS 66 10.982 -17.056 7.212
448 HE2 HIS 66 2HE HIS 66 11.209 -17.520 9.747
449 H HIS 67 H HIS 67 4.985 -13.320 8.322
450 HA HIS 67 HA HIS 67 4.146 -11.744 10.654
451 1HB HIS 67 1HB HIS 67 2.596 -13.367 8.580
452 2HB HIS 67 2HB HIS 67 1.838 -12.485 9.893
453 HD1 HIS 67 1HD HIS 67 3.417 -11.918 6.521
454 HD2 HIS 67 2HD HIS 67 1.883 -9.706 9.783
455 HE1 HIS 67 1HE HIS 67 2.901 -9.471 5.670
456 HE2 HIS 67 2HE HIS 67 2.206 -8.164 7.692
457 H HIS 68 H HIS 68 5.454 -13.315 12.108
458 HA HIS 68 HA HIS 68 3.724 -15.566 13.033
459 1HB HIS 68 1HB HIS 68 6.577 -15.689 11.983
460 2HB HIS 68 2HB HIS 68 6.088 -16.763 13.272
461 HD1 HIS 68 1HD HIS 68 4.972 -18.952 12.634
462 HD2 HIS 68 2HD HIS 68 4.885 -15.989 9.592
463 HE1 HIS 68 1HE HIS 68 3.976 -20.059 10.515
464 HE2 HIS 68 2HE HIS 68 3.946 -18.203 8.673
465 H HIS 69 H HIS 69 4.079 -16.120 15.126
466 HA HIS 69 HA HIS 69 5.981 -14.534 16.818
467 1HB HIS 69 1HB HIS 69 3.127 -15.261 17.590
468 2HB HIS 69 2HB HIS 69 4.333 -14.566 18.666
469 HD1 HIS 69 1HD HIS 69 1.469 -13.139 17.692
470 HD2 HIS 69 2HD HIS 69 5.456 -12.280 16.531
471 HE1 HIS 69 1HE HIS 69 1.504 -10.697 16.884
472 HE2 HIS 69 2HE HIS 69 3.934 -10.192 16.184
473 H HIS 70 H HIS 70 4.920 -17.344 15.622
474 HA HIS 70 HA HIS 70 6.779 -19.195 16.347
475 1HB HIS 70 1HB HIS 70 3.908 -19.487 17.392
476 2HB HIS 70 2HB HIS 70 4.755 -20.854 16.687
477 HD1 HIS 70 1HD HIS 70 6.366 -18.314 19.145
478 HD2 HIS 70 2HD HIS 70 5.249 -22.376 18.733
479 HE1 HIS 70 1HE HIS 70 7.330 -19.561 21.199
480 HE2 HIS 70 2HE HIS 70 6.631 -22.037 20.935
Start of MODEL 5
1 1H GLU 1 1H GLU 1 -1.378 2.604 4.808
2 2H GLU 1 2H GLU 1 -2.536 2.812 3.644
3 3H GLU 1 H GLU 1 -1.981 1.302 3.949
4 HA GLU 1 HA GLU 1 -2.820 1.473 6.218
5 1HB GLU 1 1HB GLU 1 -4.474 3.780 5.199
6 2HB GLU 1 2HB GLU 1 -4.332 3.152 6.838
7 1HG GLU 1 1HG GLU 1 -2.371 4.856 5.287
8 2HG GLU 1 2HG GLU 1 -3.196 5.236 6.782
9 H ALA 2 H ALA 2 -5.785 1.863 5.967
10 HA ALA 2 HA ALA 2 -6.481 0.087 3.741
11 1HB ALA 2 1HB ALA 2 -6.373 -1.400 5.713
12 2HB ALA 2 2HB ALA 2 -7.423 -0.278 6.621
13 3HB ALA 2 3HB ALA 2 -8.057 -1.144 5.215
14 H GLU 3 H GLU 3 -8.979 0.282 3.458
15 HA GLU 3 HA GLU 3 -9.673 3.163 3.683
16 1HB GLU 3 1HB GLU 3 -11.162 0.879 2.318
17 2HB GLU 3 2HB GLU 3 -11.576 2.585 2.230
18 1HG GLU 3 1HG GLU 3 -9.042 1.308 1.126
19 2HG GLU 3 2HG GLU 3 -10.475 1.697 0.195
20 H ALA 4 H ALA 4 -11.166 -0.023 4.316
21 HA ALA 4 HA ALA 4 -12.583 1.051 6.689
22 1HB ALA 4 1HB ALA 4 -13.647 -1.007 4.696
23 2HB ALA 4 2HB ALA 4 -14.466 -0.455 6.176
24 3HB ALA 4 3HB ALA 4 -14.200 0.679 4.841
25 H GLU 5 H GLU 5 -13.259 -0.957 8.101
26 HA GLU 5 HA GLU 5 -11.062 -2.376 9.050
27 1HB GLU 5 1HB GLU 5 -14.018 -3.109 9.099
28 2HB GLU 5 2HB GLU 5 -12.761 -3.932 10.035
29 1HG GLU 5 1HG GLU 5 -12.185 -1.745 11.130
30 2HG GLU 5 2HG GLU 5 -13.554 -1.001 10.287
31 H PHE 6 H PHE 6 -13.214 -3.195 6.339
32 HA PHE 6 HA PHE 6 -11.249 -5.250 5.561
33 1HB PHE 6 1HB PHE 6 -13.059 -6.487 6.728
34 2HB PHE 6 2HB PHE 6 -14.236 -5.817 5.606
35 HD1 PHE 6 1HD PHE 6 -14.478 -6.735 3.363
36 HD2 PHE 6 2HD PHE 6 -11.227 -8.008 5.892
37 HE1 PHE 6 1HE PHE 6 -13.951 -8.561 1.774
38 HE2 PHE 6 2HE PHE 6 -10.700 -9.836 4.297
39 HZ PHE 6 HZ PHE 6 -12.065 -10.117 2.235
40 H THR 7 H THR 7 -10.563 -3.728 4.203
41 HA THR 7 HA THR 7 -11.124 -3.978 1.529
42 HB THR 7 HB THR 7 -12.109 -1.311 2.647
43 HG1 THR 7 1HG THR 7 -13.588 -3.121 2.299
44 1HG2 THR 7 1HG2 THR 7 -10.543 -0.911 0.733
45 2HG2 THR 7 2HG2 THR 7 -11.414 -2.112 -0.233
46 3HG2 THR 7 3HG2 THR 7 -12.212 -0.597 0.254
47 H ASP 8 H ASP 8 -8.878 -4.390 1.555
48 HA ASP 8 HA ASP 8 -7.154 -2.525 3.045
49 1HB ASP 8 1HB ASP 8 -6.611 -5.004 2.859
50 2HB ASP 8 2HB ASP 8 -6.150 -4.672 1.175
51 H ALA 9 H ALA 9 -6.523 -0.739 2.176
52 HA ALA 9 HA ALA 9 -7.465 0.445 -0.204
53 1HB ALA 9 1HB ALA 9 -6.049 2.188 0.312
54 2HB ALA 9 2HB ALA 9 -6.625 1.592 1.859
55 3HB ALA 9 3HB ALA 9 -4.968 1.184 1.329
56 H CYS 10 H CYS 10 -4.812 -1.809 0.253
57 HA CYS 10 HA CYS 10 -3.137 -1.104 -1.873
58 1HB CYS 10 1HB CYS 10 -2.289 -3.274 -1.708
59 2HB CYS 10 2HB CYS 10 -2.936 -2.972 -0.110
60 H VAL 11 H VAL 11 -6.403 -2.524 -2.065
61 HA VAL 11 HA VAL 11 -6.130 -3.422 -4.812
62 HB VAL 11 HB VAL 11 -8.607 -2.817 -3.133
63 1HG1 VAL 11 1HG1 VAL 11 -8.304 -4.529 -5.644
64 2HG1 VAL 11 2HG1 VAL 11 -9.761 -4.440 -4.626
65 3HG1 VAL 11 3HG1 VAL 11 -9.219 -3.013 -5.506
66 1HG2 VAL 11 1HG2 VAL 11 -7.075 -5.432 -3.537
67 2HG2 VAL 11 2HG2 VAL 11 -7.221 -4.523 -2.019
68 3HG2 VAL 11 3HG2 VAL 11 -8.647 -5.279 -2.716
69 H LEU 12 H LEU 12 -6.617 -0.303 -3.397
70 HA LEU 12 HA LEU 12 -8.097 0.888 -5.618
71 1HB LEU 12 1HB LEU 12 -9.001 1.527 -3.628
72 2HB LEU 12 2HB LEU 12 -7.509 1.447 -2.748
73 HG LEU 12 HG LEU 12 -7.157 3.737 -4.307
74 1HD1 LEU 12 1HD1 LEU 12 -9.656 3.537 -5.003
75 2HD1 LEU 12 2HD1 LEU 12 -10.036 3.728 -3.286
76 3HD1 LEU 12 3HD1 LEU 12 -9.201 5.030 -4.152
77 1HD2 LEU 12 1HD2 LEU 12 -6.583 3.460 -2.008
78 2HD2 LEU 12 2HD2 LEU 12 -7.677 4.839 -2.181
79 3HD2 LEU 12 3HD2 LEU 12 -8.275 3.293 -1.550
80 HA PRO 13 HA PRO 13 -4.468 2.679 -7.537
81 1HB PRO 13 1HB PRO 13 -6.033 5.270 -7.436
82 2HB PRO 13 2HB PRO 13 -5.158 4.550 -8.821
83 1HG PRO 13 1HG PRO 13 -7.872 4.383 -8.623
84 2HG PRO 13 2HG PRO 13 -6.907 2.993 -9.213
85 1HD PRO 13 1HD PRO 13 -8.150 3.369 -6.483
86 2HD PRO 13 2HD PRO 13 -7.943 1.901 -7.469
87 H ALA 14 H ALA 14 -2.786 4.401 -7.201
88 HA ALA 14 HA ALA 14 -2.380 5.036 -4.357
89 1HB ALA 14 1HB ALA 14 -0.490 4.430 -5.925
90 2HB ALA 14 2HB ALA 14 -0.808 5.918 -6.838
91 3HB ALA 14 3HB ALA 14 -0.285 6.017 -5.145
92 H VAL 15 H VAL 15 -3.581 6.780 -3.528
93 HA VAL 15 HA VAL 15 -4.501 8.827 -5.451
94 HB VAL 15 HB VAL 15 -5.174 8.761 -2.557
95 1HG1 VAL 15 1HG1 VAL 15 -5.718 10.840 -3.703
96 2HG1 VAL 15 2HG1 VAL 15 -6.609 9.941 -4.961
97 3HG1 VAL 15 3HG1 VAL 15 -7.198 9.980 -3.288
98 1HG2 VAL 15 1HG2 VAL 15 -5.934 6.573 -3.347
99 2HG2 VAL 15 2HG2 VAL 15 -7.355 7.622 -3.327
100 3HG2 VAL 15 3HG2 VAL 15 -6.552 7.289 -4.857
101 H GLN 16 H GLN 16 -3.388 10.408 -5.717
102 HA GLN 16 HA GLN 16 -1.056 11.189 -4.065
103 1HB GLN 16 1HB GLN 16 -1.981 12.513 -6.641
104 2HB GLN 16 2HB GLN 16 -0.435 12.705 -5.807
105 1HG GLN 16 1HG GLN 16 -0.418 10.002 -6.114
106 2HG GLN 16 2HG GLN 16 -1.443 10.404 -7.478
107 1HE2 GLN 16 1HE2 GLN 16 0.024 12.986 -8.090
108 2HE2 GLN 16 2HE2 GLN 16 1.558 12.442 -8.746
109 H GLY 17 H GLY 17 -4.329 12.307 -4.591
110 1HA GLY 17 1HA GLY 17 -5.547 13.645 -3.170
111 2HA GLY 17 2HA GLY 17 -4.063 14.210 -2.372
112 HA PRO 18 HA PRO 18 -5.455 17.268 -5.672
113 1HB PRO 18 1HB PRO 18 -6.857 19.154 -4.323
114 2HB PRO 18 2HB PRO 18 -7.562 17.553 -4.694
115 1HG PRO 18 1HG PRO 18 -6.255 18.452 -2.101
116 2HG PRO 18 2HG PRO 18 -7.842 17.651 -2.315
117 1HD PRO 18 1HD PRO 18 -5.538 16.271 -1.713
118 2HD PRO 18 2HD PRO 18 -6.853 15.566 -2.697
119 H CYS 19 H CYS 19 -3.393 17.537 -2.954
120 HA CYS 19 HA CYS 19 -2.883 20.365 -3.129
121 1HB CYS 19 1HB CYS 19 -1.696 18.140 -1.517
122 2HB CYS 19 2HB CYS 19 -0.907 19.691 -1.527
123 H ARG 20 H ARG 20 -0.382 20.841 -2.915
124 HA ARG 20 HA ARG 20 0.941 20.079 -5.446
125 1HB ARG 20 1HB ARG 20 0.091 22.873 -4.667
126 2HB ARG 20 2HB ARG 20 1.512 22.585 -5.651
127 1HG ARG 20 1HG ARG 20 0.263 22.387 -7.480
128 2HG ARG 20 2HG ARG 20 -0.516 20.957 -6.844
129 1HD ARG 20 1HD ARG 20 -1.435 23.815 -6.375
130 2HD ARG 20 2HD ARG 20 -2.055 22.738 -7.626
131 HE ARG 20 HE ARG 20 -2.860 21.208 -5.863
132 1HH1 ARG 20 2HH2 ARG 20 -2.406 24.619 -4.955
133 2HH1 ARG 20 1HH2 ARG 20 -3.714 24.634 -3.825
134 1HH2 ARG 20 2HH1 ARG 20 -4.595 21.253 -4.460
135 2HH2 ARG 20 1HH1 ARG 20 -4.999 22.625 -3.486
136 H GLY 21 H GLY 21 1.260 19.860 -2.468
137 1HA GLY 21 1HA GLY 21 4.106 20.705 -2.110
138 2HA GLY 21 2HA GLY 21 2.986 20.259 -0.765
139 H TRP 22 H TRP 22 5.449 18.525 -1.483
140 HA TRP 22 HA TRP 22 4.012 16.188 -2.531
141 1HB TRP 22 1HB TRP 22 6.728 17.157 -3.467
142 2HB TRP 22 2HB TRP 22 5.911 15.708 -3.999
143 HD1 TRP 22 HD TRP 22 6.750 18.827 -5.297
144 HE1 TRP 22 1HE TRP 22 5.109 19.865 -6.956
145 HE3 TRP 22 3HE TRP 22 2.625 15.945 -4.308
146 HZ2 TRP 22 2HZ TRP 22 2.368 19.461 -7.813
147 HZ3 TRP 22 3HZ TRP 22 0.530 16.289 -5.566
148 HH2 TRP 22 HH TRP 22 0.389 18.028 -7.321
149 H GLU 23 H GLU 23 4.197 14.728 -1.231
150 HA GLU 23 HA GLU 23 6.340 14.385 0.803
151 1HB GLU 23 1HB GLU 23 4.302 15.270 1.731
152 2HB GLU 23 2HB GLU 23 3.302 14.158 0.810
153 1HG GLU 23 1HG GLU 23 3.235 13.463 3.037
154 2HG GLU 23 2HG GLU 23 4.133 12.266 2.123
155 HA PRO 24 HA PRO 24 6.523 10.505 -1.758
156 1HB PRO 24 1HB PRO 24 8.694 9.355 -0.576
157 2HB PRO 24 2HB PRO 24 8.817 10.714 -1.737
158 1HG PRO 24 1HG PRO 24 8.866 10.846 1.294
159 2HG PRO 24 2HG PRO 24 9.984 11.632 0.133
160 1HD PRO 24 1HD PRO 24 7.895 12.957 1.238
161 2HD PRO 24 2HD PRO 24 8.361 13.255 -0.460
162 H ARG 25 H ARG 25 5.249 8.886 -1.475
163 HA ARG 25 HA ARG 25 5.184 7.443 1.119
164 1HB ARG 25 1HB ARG 25 2.769 8.447 -0.456
165 2HB ARG 25 2HB ARG 25 2.639 7.159 0.737
166 1HG ARG 25 1HG ARG 25 3.642 9.975 1.359
167 2HG ARG 25 2HG ARG 25 2.022 9.366 1.654
168 1HD ARG 25 1HD ARG 25 2.920 7.586 3.105
169 2HD ARG 25 2HD ARG 25 4.559 8.186 2.892
170 HE ARG 25 HE ARG 25 2.397 9.391 4.444
171 1HH1 ARG 25 2HH2 ARG 25 5.676 9.885 3.026
172 2HH1 ARG 25 1HH2 ARG 25 5.986 11.292 3.929
173 1HH2 ARG 25 2HH1 ARG 25 2.942 11.301 5.751
174 2HH2 ARG 25 1HH1 ARG 25 4.416 12.127 5.394
175 H TRP 26 H TRP 26 3.799 5.339 0.697
176 HA TRP 26 HA TRP 26 4.818 4.116 -1.837
177 1HB TRP 26 1HB TRP 26 4.739 3.105 1.027
178 2HB TRP 26 2HB TRP 26 4.776 1.999 -0.342
179 HD1 TRP 26 HD TRP 26 6.929 4.743 1.307
180 HE1 TRP 26 1HE TRP 26 9.352 4.489 0.537
181 HE3 TRP 26 3HE TRP 26 6.294 0.894 -1.969
182 HZ2 TRP 26 2HZ TRP 26 10.831 2.840 -1.387
183 HZ3 TRP 26 3HZ TRP 26 8.132 0.255 -3.516
184 HH2 TRP 26 HH TRP 26 10.409 1.053 -3.110
185 H ALA 27 H ALA 27 3.314 2.774 -2.962
186 HA ALA 27 HA ALA 27 0.715 2.285 -1.674
187 1HB ALA 27 1HB ALA 27 0.158 4.294 -2.892
188 2HB ALA 27 2HB ALA 27 1.041 3.723 -4.340
189 3HB ALA 27 3HB ALA 27 -0.457 2.934 -3.822
190 H TYR 28 H TYR 28 -0.316 0.489 -2.507
191 HA TYR 28 HA TYR 28 1.424 -1.396 -3.975
192 1HB TYR 28 1HB TYR 28 -0.048 -2.101 -2.016
193 2HB TYR 28 2HB TYR 28 -1.427 -1.752 -3.040
194 HD1 TYR 28 1HD TYR 28 -2.141 -3.275 -4.797
195 HD2 TYR 28 2HD TYR 28 1.467 -4.096 -2.584
196 HE1 TYR 28 1HE TYR 28 -2.088 -5.569 -5.698
197 HE2 TYR 28 2HE TYR 28 1.622 -6.287 -3.614
198 HH TYR 28 HH TYR 28 0.443 -7.892 -4.787
199 H SER 29 H SER 29 1.013 -2.099 -6.048
200 HA SER 29 HA SER 29 -1.234 -0.850 -7.528
201 1HB SER 29 1HB SER 29 1.685 -1.134 -8.188
202 2HB SER 29 2HB SER 29 0.543 -0.951 -9.487
203 HG SER 29 HG SER 29 0.089 0.647 -7.280
204 HA PRO 30 HA PRO 30 -1.828 -5.346 -7.839
205 1HB PRO 30 1HB PRO 30 -4.341 -5.288 -8.978
206 2HB PRO 30 2HB PRO 30 -4.038 -5.144 -7.218
207 1HG PRO 30 1HG PRO 30 -4.569 -2.946 -9.223
208 2HG PRO 30 2HG PRO 30 -5.224 -3.128 -7.564
209 1HD PRO 30 1HD PRO 30 -3.129 -1.483 -8.158
210 2HD PRO 30 2HD PRO 30 -3.239 -2.340 -6.594
211 H LEU 31 H LEU 31 -2.361 -2.874 -10.300
212 HA LEU 31 HA LEU 31 -2.071 -4.478 -12.630
213 1HB LEU 31 1HB LEU 31 -1.715 -1.555 -12.032
214 2HB LEU 31 2HB LEU 31 -1.324 -2.203 -13.621
215 HG LEU 31 HG LEU 31 -4.023 -2.729 -12.318
216 1HD1 LEU 31 1HD1 LEU 31 -4.883 -0.878 -13.676
217 2HD1 LEU 31 2HD1 LEU 31 -3.684 -0.318 -12.494
218 3HD1 LEU 31 3HD1 LEU 31 -3.224 -0.493 -14.209
219 1HD2 LEU 31 1HD2 LEU 31 -3.492 -4.234 -14.218
220 2HD2 LEU 31 2HD2 LEU 31 -4.752 -3.091 -14.674
221 3HD2 LEU 31 3HD2 LEU 31 -3.085 -2.837 -15.230
222 H LEU 32 H LEU 32 0.289 -3.600 -10.241
223 HA LEU 32 HA LEU 32 2.514 -4.452 -12.035
224 1HB LEU 32 1HB LEU 32 2.287 -2.566 -9.696
225 2HB LEU 32 2HB LEU 32 3.833 -3.248 -10.089
226 HG LEU 32 HG LEU 32 2.194 -1.702 -12.135
227 1HD1 LEU 32 1HD1 LEU 32 2.732 -0.193 -10.299
228 2HD1 LEU 32 2HD1 LEU 32 4.436 -0.722 -10.313
229 3HD1 LEU 32 3HD1 LEU 32 3.758 0.185 -11.684
230 1HD2 LEU 32 1HD2 LEU 32 4.376 -1.494 -13.312
231 2HD2 LEU 32 2HD2 LEU 32 5.143 -2.512 -12.070
232 3HD2 LEU 32 3HD2 LEU 32 3.893 -3.179 -13.141
233 H GLN 33 H GLN 33 0.406 -5.441 -9.653
234 HA GLN 33 HA GLN 33 0.294 -6.788 -7.941
235 1HB GLN 33 1HB GLN 33 0.700 -8.246 -10.013
236 2HB GLN 33 2HB GLN 33 2.341 -8.484 -9.422
237 1HG GLN 33 1HG GLN 33 0.490 -8.947 -7.252
238 2HG GLN 33 2HG GLN 33 -0.139 -9.783 -8.657
239 1HE2 GLN 33 1HE2 GLN 33 3.151 -9.302 -7.211
240 2HE2 GLN 33 2HE2 GLN 33 3.580 -11.020 -7.314
241 H GLN 34 H GLN 34 2.013 -4.595 -7.427
242 HA GLN 34 HA GLN 34 3.787 -5.663 -5.344
243 1HB GLN 34 1HB GLN 34 4.948 -5.859 -7.734
244 2HB GLN 34 2HB GLN 34 5.088 -4.095 -7.579
245 1HG GLN 34 1HG GLN 34 6.450 -4.354 -5.574
246 2HG GLN 34 2HG GLN 34 6.295 -6.114 -5.679
247 1HE2 GLN 34 1HE2 GLN 34 6.638 -6.281 -8.628
248 2HE2 GLN 34 2HE2 GLN 34 8.324 -5.883 -8.907
249 H CYS 35 H CYS 35 5.013 -3.788 -4.341
250 HA CYS 35 HA CYS 35 3.372 -1.284 -4.455
251 1HB CYS 35 1HB CYS 35 5.355 -2.264 -2.409
252 2HB CYS 35 2HB CYS 35 4.683 -0.638 -2.413
253 H HIS 36 H HIS 36 4.225 0.690 -4.634
254 HA HIS 36 HA HIS 36 7.087 0.972 -5.388
255 1HB HIS 36 1HB HIS 36 6.637 2.202 -7.418
256 2HB HIS 36 2HB HIS 36 5.904 0.615 -7.519
257 HD1 HIS 36 1HD HIS 36 4.860 4.316 -6.940
258 HD2 HIS 36 2HD HIS 36 3.226 0.542 -8.056
259 HE1 HIS 36 1HE HIS 36 2.435 4.721 -7.675
260 HE2 HIS 36 2HE HIS 36 1.494 2.360 -8.330
261 HA PRO 37 HA PRO 37 6.532 4.751 -3.054
262 1HB PRO 37 1HB PRO 37 8.485 6.346 -4.409
263 2HB PRO 37 2HB PRO 37 8.688 5.435 -2.895
264 1HG PRO 37 1HG PRO 37 9.880 4.842 -5.452
265 2HG PRO 37 2HG PRO 37 9.953 3.865 -3.963
266 1HD PRO 37 1HD PRO 37 8.261 3.495 -6.359
267 2HD PRO 37 2HD PRO 37 8.742 2.315 -5.113
268 H PHE 38 H PHE 38 5.785 7.149 -3.491
269 HA PHE 38 HA PHE 38 5.280 7.857 -6.217
270 1HB PHE 38 1HB PHE 38 2.967 7.714 -6.347
271 2HB PHE 38 2HB PHE 38 3.420 6.148 -5.728
272 HD1 PHE 38 1HD PHE 38 1.381 9.041 -5.266
273 HD2 PHE 38 2HD PHE 38 3.164 5.765 -3.108
274 HE1 PHE 38 1HE PHE 38 -0.353 9.238 -3.527
275 HE2 PHE 38 2HE PHE 38 1.394 6.003 -1.363
276 HZ PHE 38 HZ PHE 38 -0.373 7.700 -1.589
277 H VAL 39 H VAL 39 3.786 9.934 -6.145
278 HA VAL 39 HA VAL 39 4.899 11.638 -3.987
279 HB VAL 39 HB VAL 39 3.923 12.145 -6.834
280 1HG1 VAL 39 1HG1 VAL 39 4.521 14.137 -4.624
281 2HG1 VAL 39 2HG1 VAL 39 4.537 14.569 -6.354
282 3HG1 VAL 39 3HG1 VAL 39 3.050 13.988 -5.600
283 1HG2 VAL 39 1HG2 VAL 39 6.204 13.042 -7.138
284 2HG2 VAL 39 2HG2 VAL 39 6.595 12.662 -5.448
285 3HG2 VAL 39 3HG2 VAL 39 6.265 11.357 -6.610
286 H TYR 40 H TYR 40 3.500 11.939 -2.348
287 HA TYR 40 HA TYR 40 0.582 11.986 -2.896
288 1HB TYR 40 1HB TYR 40 0.953 10.224 -1.404
289 2HB TYR 40 2HB TYR 40 2.283 11.022 -0.606
290 HD1 TYR 40 1HD TYR 40 1.977 11.876 1.478
291 HD2 TYR 40 2HD TYR 40 -1.440 11.528 -1.139
292 HE1 TYR 40 1HE TYR 40 0.527 12.654 3.297
293 HE2 TYR 40 2HE TYR 40 -2.902 12.400 0.657
294 HH TYR 40 HH TYR 40 -2.869 13.513 2.716
295 H GLY 41 H GLY 41 -0.505 13.817 -1.852
296 1HA GLY 41 1HA GLY 41 1.213 16.154 -1.972
297 2HA GLY 41 2HA GLY 41 -0.511 16.137 -2.058
298 H GLY 42 H GLY 42 0.322 14.384 0.722
299 1HA GLY 42 1HA GLY 42 0.497 14.876 2.951
300 2HA GLY 42 2HA GLY 42 1.082 16.484 2.527
301 H CYS 43 H CYS 43 -1.890 16.052 1.079
302 HA CYS 43 HA CYS 43 -3.550 16.878 3.345
303 1HB CYS 43 1HB CYS 43 -4.584 18.581 2.225
304 2HB CYS 43 2HB CYS 43 -2.888 18.811 1.905
305 H GLU 44 H GLU 44 -6.000 16.787 2.002
306 HA GLU 44 HA GLU 44 -6.997 14.391 2.516
307 1HB GLU 44 1HB GLU 44 -7.805 15.807 -0.026
308 2HB GLU 44 2HB GLU 44 -8.750 14.705 0.968
309 1HG GLU 44 1HG GLU 44 -9.583 16.692 1.669
310 2HG GLU 44 2HG GLU 44 -8.351 16.449 2.889
311 H GLY 45 H GLY 45 -6.990 12.275 1.770
312 1HA GLY 45 1HA GLY 45 -6.385 11.413 -0.876
313 2HA GLY 45 2HA GLY 45 -5.010 11.234 0.232
314 H ASN 46 H ASN 46 -6.207 8.933 -0.737
315 HA ASN 46 HA ASN 46 -8.011 7.919 1.392
316 1HB ASN 46 1HB ASN 46 -6.956 6.546 -1.088
317 2HB ASN 46 2HB ASN 46 -8.116 5.888 0.023
318 1HD2 ASN 46 1HD2 ASN 46 -9.879 5.526 -1.127
319 2HD2 ASN 46 2HD2 ASN 46 -10.755 6.807 -1.969
320 H GLY 47 H GLY 47 -7.301 5.320 1.532
321 1HA GLY 47 1HA GLY 47 -5.072 5.461 3.380
322 2HA GLY 47 2HA GLY 47 -6.213 4.134 3.115
323 H ASN 48 H ASN 48 -5.217 4.681 -0.011
324 HA ASN 48 HA ASN 48 -3.081 2.648 0.251
325 1HB ASN 48 1HB ASN 48 -4.668 2.437 -1.624
326 2HB ASN 48 2HB ASN 48 -3.965 3.836 -2.401
327 1HD2 ASN 48 1HD2 ASN 48 -3.637 1.729 -3.955
328 2HD2 ASN 48 2HD2 ASN 48 -2.128 0.897 -3.823
329 H ASN 49 H ASN 49 -2.134 4.128 1.624
330 HA ASN 49 HA ASN 49 -0.025 5.856 0.544
331 1HB ASN 49 1HB ASN 49 -2.093 7.219 1.119
332 2HB ASN 49 2HB ASN 49 -2.057 6.547 2.746
333 1HD2 ASN 49 1HD2 ASN 49 -1.636 9.343 1.456
334 2HD2 ASN 49 2HD2 ASN 49 -0.211 9.948 2.239
335 H PHE 50 H PHE 50 1.648 4.649 1.347
336 HA PHE 50 HA PHE 50 1.455 3.432 4.050
337 1HB PHE 50 1HB PHE 50 2.700 2.355 1.494
338 2HB PHE 50 2HB PHE 50 3.142 1.735 3.012
339 HD1 PHE 50 1HD PHE 50 0.410 1.885 0.531
340 HD2 PHE 50 2HD PHE 50 1.471 0.600 4.515
341 HE1 PHE 50 1HE PHE 50 -1.598 0.426 0.609
342 HE2 PHE 50 2HE PHE 50 -0.539 -0.823 4.588
343 HZ PHE 50 HZ PHE 50 -2.077 -0.939 2.613
344 H HIS 51 H HIS 51 3.533 3.097 5.014
345 HA HIS 51 HA HIS 51 4.969 5.669 4.987
346 1HB HIS 51 1HB HIS 51 5.322 3.254 6.825
347 2HB HIS 51 2HB HIS 51 5.728 4.918 7.148
348 HD1 HIS 51 1HD HIS 51 3.463 6.539 7.753
349 HD2 HIS 51 2HD HIS 51 2.803 2.406 7.074
350 HE1 HIS 51 1HE HIS 51 0.957 6.025 8.308
351 HE2 HIS 51 2HE HIS 51 0.562 3.645 7.823
352 H SER 52 H SER 52 5.391 2.445 3.830
353 HA SER 52 HA SER 52 8.158 2.913 3.020
354 1HB SER 52 1HB SER 52 8.890 0.854 4.431
355 2HB SER 52 2HB SER 52 8.649 2.366 5.298
356 HG SER 52 HG SER 52 7.607 0.528 6.344
357 H ARG 53 H ARG 53 9.028 0.936 2.067
358 HA ARG 53 HA ARG 53 7.258 -0.418 0.201
359 1HB ARG 53 1HB ARG 53 9.642 -0.067 -0.244
360 2HB ARG 53 2HB ARG 53 10.067 -1.059 1.151
361 1HG ARG 53 1HG ARG 53 10.306 -2.313 -0.825
362 2HG ARG 53 2HG ARG 53 9.003 -3.029 0.103
363 1HD ARG 53 1HD ARG 53 7.409 -1.832 -1.503
364 2HD ARG 53 2HD ARG 53 8.802 -1.340 -2.421
365 HE ARG 53 HE ARG 53 8.238 -4.217 -1.817
366 1HH1 ARG 53 2HH2 ARG 53 8.331 -2.020 -4.582
367 2HH1 ARG 53 1HH2 ARG 53 9.000 -3.246 -5.597
368 1HH2 ARG 53 2HH1 ARG 53 8.489 -5.692 -3.252
369 2HH2 ARG 53 1HH1 ARG 53 9.027 -5.378 -4.896
370 H GLU 54 H GLU 54 8.804 -1.248 3.247
371 HA GLU 54 HA GLU 54 7.964 -3.820 3.791
372 1HB GLU 54 1HB GLU 54 9.591 -2.806 5.082
373 2HB GLU 54 2HB GLU 54 8.797 -1.308 5.240
374 1HG GLU 54 1HG GLU 54 7.620 -3.665 6.721
375 2HG GLU 54 2HG GLU 54 9.162 -3.006 7.279
376 H SER 55 H SER 55 6.439 -1.046 5.307
377 HA SER 55 HA SER 55 4.214 -2.417 6.125
378 1HB SER 55 1HB SER 55 2.940 -0.230 6.268
379 2HB SER 55 2HB SER 55 4.499 -0.297 7.085
380 HG SER 55 HG SER 55 5.434 0.852 5.473
381 H CYS 56 H CYS 56 4.589 -1.108 2.946
382 HA CYS 56 HA CYS 56 1.843 -1.474 2.118
383 1HB CYS 56 1HB CYS 56 3.813 0.065 1.218
384 2HB CYS 56 2HB CYS 56 4.448 -1.358 0.475
385 H GLU 57 H GLU 57 4.823 -3.330 1.587
386 HA GLU 57 HA GLU 57 3.304 -5.442 0.249
387 1HB GLU 57 1HB GLU 57 6.223 -5.362 1.047
388 2HB GLU 57 2HB GLU 57 5.390 -6.719 0.244
389 1HG GLU 57 1HG GLU 57 4.442 -4.816 -1.372
390 2HG GLU 57 2HG GLU 57 5.777 -3.858 -0.750
391 H ASP 58 H ASP 58 4.217 -4.704 3.527
392 HA ASP 58 HA ASP 58 3.446 -7.159 4.696
393 1HB ASP 58 1HB ASP 58 4.368 -5.547 6.204
394 2HB ASP 58 2HB ASP 58 3.106 -4.369 5.821
395 H ALA 59 H ALA 59 1.490 -4.206 3.632
396 HA ALA 59 HA ALA 59 -0.925 -5.286 4.514
397 1HB ALA 59 1HB ALA 59 -0.483 -3.321 2.245
398 2HB ALA 59 2HB ALA 59 -2.008 -3.631 3.077
399 3HB ALA 59 3HB ALA 59 -0.644 -2.941 3.974
400 H CYS 60 H CYS 60 0.384 -5.326 1.197
401 HA CYS 60 HA CYS 60 -1.343 -7.710 0.672
402 1HB CYS 60 1HB CYS 60 -1.075 -5.209 -0.952
403 2HB CYS 60 2HB CYS 60 -1.660 -6.737 -1.608
404 HA PRO 61 HA PRO 61 2.838 -8.934 -0.686
405 1HB PRO 61 1HB PRO 61 3.045 -11.258 0.687
406 2HB PRO 61 2HB PRO 61 3.133 -9.712 1.574
407 1HG PRO 61 1HG PRO 61 0.670 -11.469 1.146
408 2HG PRO 61 2HG PRO 61 1.301 -10.884 2.706
409 1HD PRO 61 1HD PRO 61 -0.656 -9.580 1.334
410 2HD PRO 61 2HD PRO 61 0.553 -8.683 2.298
411 H VAL 62 H VAL 62 3.330 -11.348 -1.529
412 HA VAL 62 HA VAL 62 1.065 -12.205 -3.258
413 HB VAL 62 HB VAL 62 3.876 -13.314 -3.408
414 1HG1 VAL 62 1HG1 VAL 62 2.148 -14.397 -4.799
415 2HG1 VAL 62 2HG1 VAL 62 1.737 -12.830 -5.531
416 3HG1 VAL 62 3HG1 VAL 62 3.321 -13.570 -5.812
417 1HG2 VAL 62 1HG2 VAL 62 4.333 -10.912 -3.541
418 2HG2 VAL 62 2HG2 VAL 62 4.442 -11.592 -5.160
419 3HG2 VAL 62 3HG2 VAL 62 2.990 -10.685 -4.682
420 H VAL 63 H VAL 63 1.190 -14.895 -3.289
421 HA VAL 63 HA VAL 63 0.443 -15.488 -0.584
422 HB VAL 63 HB VAL 63 1.006 -17.695 -2.495
423 1HG1 VAL 63 1HG1 VAL 63 -0.927 -18.745 -1.424
424 2HG1 VAL 63 2HG1 VAL 63 0.283 -18.254 -0.230
425 3HG1 VAL 63 3HG1 VAL 63 -1.192 -17.284 -0.452
426 1HG2 VAL 63 1HG2 VAL 63 -0.259 -16.152 -3.949
427 2HG2 VAL 63 2HG2 VAL 63 -1.331 -17.457 -3.446
428 3HG2 VAL 63 3HG2 VAL 63 -1.448 -15.871 -2.655
429 H ASP 64 H ASP 64 1.552 -16.330 0.935
430 HA ASP 64 HA ASP 64 4.319 -17.313 0.620
431 1HB ASP 64 1HB ASP 64 4.674 -14.993 1.196
432 2HB ASP 64 2HB ASP 64 3.542 -15.107 2.552
433 H HIS 65 H HIS 65 5.026 -18.343 2.702
434 HA HIS 65 HA HIS 65 2.977 -20.125 3.615
435 1HB HIS 65 1HB HIS 65 5.998 -20.448 3.604
436 2HB HIS 65 2HB HIS 65 4.797 -21.716 3.781
437 HD1 HIS 65 1HD HIS 65 3.474 -22.434 1.454
438 HD2 HIS 65 2HD HIS 65 6.423 -19.414 1.111
439 HE1 HIS 65 1HE HIS 65 3.810 -22.000 -1.067
440 HE2 HIS 65 2HE HIS 65 5.604 -20.160 -1.256
441 H HIS 66 H HIS 66 4.058 -17.337 4.840
442 HA HIS 66 HA HIS 66 3.822 -18.287 7.595
443 1HB HIS 66 1HB HIS 66 6.030 -16.396 7.599
444 2HB HIS 66 2HB HIS 66 5.878 -17.954 8.356
445 HD1 HIS 66 1HD HIS 66 6.708 -16.714 4.709
446 HD2 HIS 66 2HD HIS 66 7.735 -19.616 7.632
447 HE1 HIS 66 1HE HIS 66 8.703 -17.966 3.787
448 HE2 HIS 66 2HE HIS 66 9.350 -19.766 5.565
449 H HIS 67 H HIS 67 4.572 -15.376 5.597
450 HA HIS 67 HA HIS 67 3.605 -13.529 7.548
451 1HB HIS 67 1HB HIS 67 5.287 -12.923 5.897
452 2HB HIS 67 2HB HIS 67 4.216 -13.365 4.569
453 HD1 HIS 67 1HD HIS 67 3.415 -11.241 3.361
454 HD2 HIS 67 2HD HIS 67 3.785 -10.756 7.569
455 HE1 HIS 67 1HE HIS 67 2.546 -8.907 3.933
456 HE2 HIS 67 2HE HIS 67 2.783 -8.637 6.498
457 H HIS 68 H HIS 68 1.760 -12.222 7.546
458 HA HIS 68 HA HIS 68 -0.418 -12.464 5.732
459 1HB HIS 68 1HB HIS 68 -0.491 -14.099 8.140
460 2HB HIS 68 2HB HIS 68 -1.573 -12.742 8.387
461 HD1 HIS 68 1HD HIS 68 -3.894 -12.745 6.951
462 HD2 HIS 68 2HD HIS 68 -0.990 -15.676 5.896
463 HE1 HIS 68 1HE HIS 68 -5.041 -14.335 5.398
464 HE2 HIS 68 2HE HIS 68 -3.301 -16.144 4.711
465 H HIS 69 H HIS 69 -2.100 -10.747 6.656
466 HA HIS 69 HA HIS 69 -0.933 -8.729 8.431
467 1HB HIS 69 1HB HIS 69 -0.127 -7.746 6.532
468 2HB HIS 69 2HB HIS 69 -1.412 -8.307 5.471
469 HD1 HIS 69 1HD HIS 69 -0.312 -5.362 7.461
470 HD2 HIS 69 2HD HIS 69 -3.481 -6.710 5.061
471 HE1 HIS 69 1HE HIS 69 -1.702 -3.311 6.825
472 HE2 HIS 69 2HE HIS 69 -3.613 -4.203 5.265
473 H HIS 70 H HIS 70 -3.643 -8.695 6.103
474 HA HIS 70 HA HIS 70 -5.526 -8.715 8.383
475 1HB HIS 70 1HB HIS 70 -5.736 -7.197 6.235
476 2HB HIS 70 2HB HIS 70 -6.318 -8.676 5.453
477 HD1 HIS 70 1HD HIS 70 -8.042 -9.825 7.756
478 HD2 HIS 70 2HD HIS 70 -7.865 -5.743 6.702
479 HE1 HIS 70 1HE HIS 70 -10.215 -8.670 8.745
480 HE2 HIS 70 2HE HIS 70 -10.044 -6.162 8.034
Start of MODEL 6
1 1H GLU 1 1H GLU 1 -10.972 4.962 7.469
2 2H GLU 1 2H GLU 1 -11.943 5.534 6.260
3 3H GLU 1 H GLU 1 -10.293 5.614 6.127
4 HA GLU 1 HA GLU 1 -11.412 3.863 4.810
5 1HB GLU 1 1HB GLU 1 -9.209 3.074 6.764
6 2HB GLU 1 2HB GLU 1 -9.751 2.098 5.397
7 1HG GLU 1 1HG GLU 1 -7.976 3.099 4.429
8 2HG GLU 1 2HG GLU 1 -9.257 4.199 3.933
9 H ALA 2 H ALA 2 -13.526 4.241 6.360
10 HA ALA 2 HA ALA 2 -14.389 1.516 6.942
11 1HB ALA 2 1HB ALA 2 -13.613 2.288 9.173
12 2HB ALA 2 2HB ALA 2 -14.645 3.737 9.028
13 3HB ALA 2 3HB ALA 2 -15.376 2.121 9.122
14 H GLU 3 H GLU 3 -14.697 3.870 4.999
15 HA GLU 3 HA GLU 3 -17.297 5.035 5.461
16 1HB GLU 3 1HB GLU 3 -15.499 5.026 2.990
17 2HB GLU 3 2HB GLU 3 -16.872 6.087 3.273
18 1HG GLU 3 1HG GLU 3 -14.852 7.332 3.680
19 2HG GLU 3 2HG GLU 3 -15.704 7.116 5.211
20 H ALA 4 H ALA 4 -16.173 2.136 3.987
21 HA ALA 4 HA ALA 4 -18.821 1.536 2.828
22 1HB ALA 4 1HB ALA 4 -17.683 0.125 1.133
23 2HB ALA 4 2HB ALA 4 -17.211 1.827 0.959
24 3HB ALA 4 3HB ALA 4 -16.104 0.671 1.735
25 H GLU 5 H GLU 5 -19.165 -0.902 2.907
26 HA GLU 5 HA GLU 5 -18.747 -2.042 5.434
27 1HB GLU 5 1HB GLU 5 -19.206 -3.367 2.725
28 2HB GLU 5 2HB GLU 5 -19.381 -4.181 4.284
29 1HG GLU 5 1HG GLU 5 -21.217 -2.693 4.921
30 2HG GLU 5 2HG GLU 5 -21.017 -1.746 3.442
31 H PHE 6 H PHE 6 -16.773 -2.274 2.464
32 HA PHE 6 HA PHE 6 -14.434 -2.905 4.004
33 1HB PHE 6 1HB PHE 6 -15.362 -5.180 3.679
34 2HB PHE 6 2HB PHE 6 -15.512 -4.895 1.949
35 HD1 PHE 6 1HD PHE 6 -12.870 -4.719 4.652
36 HD2 PHE 6 2HD PHE 6 -13.812 -5.761 0.571
37 HE1 PHE 6 1HE PHE 6 -10.526 -5.454 4.292
38 HE2 PHE 6 2HE PHE 6 -11.476 -6.528 0.233
39 HZ PHE 6 HZ PHE 6 -9.826 -6.358 2.084
40 H THR 7 H THR 7 -12.502 -2.643 2.600
41 HA THR 7 HA THR 7 -12.694 -2.007 -0.178
42 HB THR 7 HB THR 7 -12.241 0.238 1.836
43 HG1 THR 7 1HG THR 7 -14.316 -0.382 0.642
44 1HG2 THR 7 1HG2 THR 7 -11.476 0.223 -1.124
45 2HG2 THR 7 2HG2 THR 7 -11.547 1.663 -0.083
46 3HG2 THR 7 3HG2 THR 7 -10.361 0.397 0.252
47 H ASP 8 H ASP 8 -10.969 -3.321 -0.711
48 HA ASP 8 HA ASP 8 -8.718 -3.685 1.125
49 1HB ASP 8 1HB ASP 8 -9.397 -5.541 -0.327
50 2HB ASP 8 2HB ASP 8 -9.075 -4.569 -1.765
51 H ALA 9 H ALA 9 -7.776 -1.717 1.454
52 HA ALA 9 HA ALA 9 -7.497 0.314 -0.420
53 1HB ALA 9 1HB ALA 9 -5.655 1.237 0.884
54 2HB ALA 9 2HB ALA 9 -7.006 0.760 1.923
55 3HB ALA 9 3HB ALA 9 -5.532 -0.256 1.820
56 H CYS 10 H CYS 10 -5.515 -2.682 -0.177
57 HA CYS 10 HA CYS 10 -3.311 -1.392 -1.578
58 1HB CYS 10 1HB CYS 10 -2.115 -3.277 -1.171
59 2HB CYS 10 2HB CYS 10 -3.275 -3.263 0.129
60 H VAL 11 H VAL 11 -6.321 -2.710 -2.538
61 HA VAL 11 HA VAL 11 -5.447 -3.055 -5.361
62 HB VAL 11 HB VAL 11 -8.105 -3.531 -3.954
63 1HG1 VAL 11 1HG1 VAL 11 -8.587 -3.060 -6.298
64 2HG1 VAL 11 2HG1 VAL 11 -7.314 -4.184 -6.825
65 3HG1 VAL 11 3HG1 VAL 11 -8.769 -4.788 -5.996
66 1HG2 VAL 11 1HG2 VAL 11 -7.601 -5.907 -4.196
67 2HG2 VAL 11 2HG2 VAL 11 -6.083 -5.551 -5.046
68 3HG2 VAL 11 3HG2 VAL 11 -6.276 -5.147 -3.338
69 H LEU 12 H LEU 12 -6.687 -0.612 -3.310
70 HA LEU 12 HA LEU 12 -8.251 0.894 -5.245
71 1HB LEU 12 1HB LEU 12 -9.074 0.997 -3.181
72 2HB LEU 12 2HB LEU 12 -7.532 0.916 -2.373
73 HG LEU 12 HG LEU 12 -7.458 3.469 -3.197
74 1HD1 LEU 12 1HD1 LEU 12 -9.665 4.511 -3.015
75 2HD1 LEU 12 2HD1 LEU 12 -9.943 3.149 -4.126
76 3HD1 LEU 12 3HD1 LEU 12 -10.399 3.005 -2.445
77 1HD2 LEU 12 1HD2 LEU 12 -7.093 2.741 -0.938
78 2HD2 LEU 12 2HD2 LEU 12 -8.403 3.933 -0.855
79 3HD2 LEU 12 3HD2 LEU 12 -8.782 2.227 -0.756
80 HA PRO 13 HA PRO 13 -4.735 3.173 -6.745
81 1HB PRO 13 1HB PRO 13 -5.912 5.540 -7.610
82 2HB PRO 13 2HB PRO 13 -5.959 3.989 -8.474
83 1HG PRO 13 1HG PRO 13 -8.081 5.292 -6.796
84 2HG PRO 13 2HG PRO 13 -8.278 4.268 -8.247
85 1HD PRO 13 1HD PRO 13 -8.563 3.472 -5.571
86 2HD PRO 13 2HD PRO 13 -8.357 2.335 -6.914
87 H ALA 14 H ALA 14 -3.911 5.636 -6.577
88 HA ALA 14 HA ALA 14 -4.202 6.550 -3.766
89 1HB ALA 14 1HB ALA 14 -2.063 5.266 -4.052
90 2HB ALA 14 2HB ALA 14 -1.552 6.489 -5.253
91 3HB ALA 14 3HB ALA 14 -1.883 6.944 -3.564
92 H VAL 15 H VAL 15 -3.564 8.932 -3.592
93 HA VAL 15 HA VAL 15 -4.094 10.456 -6.065
94 HB VAL 15 HB VAL 15 -5.774 10.271 -3.562
95 1HG1 VAL 15 1HG1 VAL 15 -7.149 12.176 -4.305
96 2HG1 VAL 15 2HG1 VAL 15 -5.552 12.633 -3.764
97 3HG1 VAL 15 3HG1 VAL 15 -5.913 12.577 -5.522
98 1HG2 VAL 15 1HG2 VAL 15 -7.662 10.043 -5.151
99 2HG2 VAL 15 2HG2 VAL 15 -6.514 10.128 -6.510
100 3HG2 VAL 15 3HG2 VAL 15 -6.466 8.777 -5.356
101 H GLN 16 H GLN 16 -3.548 12.638 -5.838
102 HA GLN 16 HA GLN 16 -1.224 13.120 -4.089
103 1HB GLN 16 1HB GLN 16 -2.406 14.496 -6.544
104 2HB GLN 16 2HB GLN 16 -1.190 15.304 -5.553
105 1HG GLN 16 1HG GLN 16 0.402 13.547 -5.899
106 2HG GLN 16 2HG GLN 16 -0.762 12.579 -6.825
107 1HE2 GLN 16 1HE2 GLN 16 1.592 15.199 -6.945
108 2HE2 GLN 16 2HE2 GLN 16 1.408 15.451 -8.667
109 H GLY 17 H GLY 17 -4.543 14.301 -4.471
110 1HA GLY 17 1HA GLY 17 -5.795 15.612 -3.087
111 2HA GLY 17 2HA GLY 17 -4.391 15.926 -2.063
112 HA PRO 18 HA PRO 18 -5.490 19.598 -4.803
113 1HB PRO 18 1HB PRO 18 -6.128 21.442 -2.860
114 2HB PRO 18 2HB PRO 18 -7.294 20.266 -3.537
115 1HG PRO 18 1HG PRO 18 -5.680 20.013 -0.979
116 2HG PRO 18 2HG PRO 18 -7.435 19.769 -1.209
117 1HD PRO 18 1HD PRO 18 -5.730 17.661 -1.212
118 2HD PRO 18 2HD PRO 18 -7.075 17.704 -2.366
119 H CYS 19 H CYS 19 -3.384 19.229 -1.981
120 HA CYS 19 HA CYS 19 -1.923 21.654 -2.244
121 1HB CYS 19 1HB CYS 19 -0.723 19.061 -1.260
122 2HB CYS 19 2HB CYS 19 -0.335 20.665 -0.730
123 H ARG 20 H ARG 20 0.286 21.789 -2.862
124 HA ARG 20 HA ARG 20 1.138 20.074 -5.140
125 1HB ARG 20 1HB ARG 20 1.243 23.070 -4.982
126 2HB ARG 20 2HB ARG 20 2.437 22.180 -5.878
127 1HG ARG 20 1HG ARG 20 0.808 22.992 -7.382
128 2HG ARG 20 2HG ARG 20 0.738 21.248 -7.372
129 1HD ARG 20 1HD ARG 20 -1.257 22.890 -5.779
130 2HD ARG 20 2HD ARG 20 -1.439 22.701 -7.522
131 HE ARG 20 HE ARG 20 -2.033 20.795 -5.482
132 1HH1 ARG 20 2HH2 ARG 20 -1.315 20.995 -8.915
133 2HH1 ARG 20 1HH2 ARG 20 -1.915 19.407 -9.272
134 1HH2 ARG 20 2HH1 ARG 20 -2.634 18.658 -5.861
135 2HH2 ARG 20 1HH1 ARG 20 -2.772 18.055 -7.452
136 H GLY 21 H GLY 21 1.726 20.430 -2.128
137 1HA GLY 21 1HA GLY 21 4.721 20.568 -2.194
138 2HA GLY 21 2HA GLY 21 3.707 20.286 -0.735
139 H TRP 22 H TRP 22 5.855 18.361 -1.781
140 HA TRP 22 HA TRP 22 4.082 16.124 -2.579
141 1HB TRP 22 1HB TRP 22 6.828 16.792 -3.639
142 2HB TRP 22 2HB TRP 22 5.901 15.370 -4.032
143 HD1 TRP 22 HD TRP 22 7.015 17.916 -5.854
144 HE1 TRP 22 1HE TRP 22 5.452 18.972 -7.570
145 HE3 TRP 22 3HE TRP 22 2.491 16.316 -3.989
146 HZ2 TRP 22 2HZ TRP 22 2.622 19.057 -8.128
147 HZ3 TRP 22 3HZ TRP 22 0.406 16.962 -5.083
148 HH2 TRP 22 HH TRP 22 0.436 18.291 -7.185
149 H GLU 23 H GLU 23 3.957 14.945 -0.958
150 HA GLU 23 HA GLU 23 6.219 14.211 0.826
151 1HB GLU 23 1HB GLU 23 4.253 14.943 1.993
152 2HB GLU 23 2HB GLU 23 3.181 14.010 0.958
153 1HG GLU 23 1HG GLU 23 3.198 12.934 3.005
154 2HG GLU 23 2HG GLU 23 4.084 11.911 1.887
155 HA PRO 24 HA PRO 24 6.137 10.615 -2.118
156 1HB PRO 24 1HB PRO 24 8.494 9.472 -1.415
157 2HB PRO 24 2HB PRO 24 8.418 10.985 -2.370
158 1HG PRO 24 1HG PRO 24 8.906 10.688 0.609
159 2HG PRO 24 2HG PRO 24 9.791 11.708 -0.566
160 1HD PRO 24 1HD PRO 24 7.774 12.650 1.053
161 2HD PRO 24 2HD PRO 24 8.096 13.327 -0.571
162 H ARG 25 H ARG 25 4.666 9.139 -1.598
163 HA ARG 25 HA ARG 25 5.030 7.560 0.927
164 1HB ARG 25 1HB ARG 25 2.462 8.403 -0.472
165 2HB ARG 25 2HB ARG 25 2.511 7.183 0.808
166 1HG ARG 25 1HG ARG 25 3.389 10.076 1.103
167 2HG ARG 25 2HG ARG 25 1.838 9.428 1.606
168 1HD ARG 25 1HD ARG 25 2.960 7.877 3.175
169 2HD ARG 25 2HD ARG 25 4.537 8.508 2.697
170 HE ARG 25 HE ARG 25 4.270 10.406 3.923
171 1HH1 ARG 25 2HH2 ARG 25 1.097 8.787 3.864
172 2HH1 ARG 25 1HH2 ARG 25 0.377 9.900 4.978
173 1HH2 ARG 25 2HH1 ARG 25 3.453 11.748 5.288
174 2HH2 ARG 25 1HH1 ARG 25 1.826 11.676 5.948
175 H TRP 26 H TRP 26 3.750 5.370 0.624
176 HA TRP 26 HA TRP 26 4.648 4.236 -2.006
177 1HB TRP 26 1HB TRP 26 4.787 3.181 0.830
178 2HB TRP 26 2HB TRP 26 4.822 2.100 -0.565
179 HD1 TRP 26 HD TRP 26 6.862 4.908 1.102
180 HE1 TRP 26 1HE TRP 26 9.223 4.939 0.151
181 HE3 TRP 26 3HE TRP 26 6.322 1.248 -2.400
182 HZ2 TRP 26 2HZ TRP 26 10.687 3.593 -2.014
183 HZ3 TRP 26 3HZ TRP 26 8.099 0.849 -4.086
184 HH2 TRP 26 HH TRP 26 10.308 1.872 -3.810
185 H ALA 27 H ALA 27 3.192 2.796 -3.081
186 HA ALA 27 HA ALA 27 0.619 2.257 -1.750
187 1HB ALA 27 1HB ALA 27 -0.621 2.787 -3.836
188 2HB ALA 27 2HB ALA 27 0.064 4.218 -3.072
189 3HB ALA 27 3HB ALA 27 0.843 3.512 -4.520
190 H TYR 28 H TYR 28 -0.286 0.348 -2.420
191 HA TYR 28 HA TYR 28 1.590 -1.538 -3.683
192 1HB TYR 28 1HB TYR 28 0.205 -2.005 -1.553
193 2HB TYR 28 2HB TYR 28 -1.211 -1.971 -2.576
194 HD1 TYR 28 1HD TYR 28 -1.696 -3.865 -4.152
195 HD2 TYR 28 2HD TYR 28 1.680 -3.965 -1.487
196 HE1 TYR 28 1HE TYR 28 -1.444 -6.294 -4.516
197 HE2 TYR 28 2HE TYR 28 2.105 -6.292 -2.106
198 HH TYR 28 HH TYR 28 0.781 -8.152 -2.671
199 H SER 29 H SER 29 1.219 -2.585 -5.632
200 HA SER 29 HA SER 29 -1.242 -1.896 -7.131
201 1HB SER 29 1HB SER 29 1.636 -1.866 -8.015
202 2HB SER 29 2HB SER 29 0.361 -1.879 -9.190
203 HG SER 29 HG SER 29 -0.197 -0.242 -7.100
204 HA PRO 30 HA PRO 30 -1.117 -6.372 -6.657
205 1HB PRO 30 1HB PRO 30 -3.663 -6.979 -7.508
206 2HB PRO 30 2HB PRO 30 -3.332 -6.280 -5.893
207 1HG PRO 30 1HG PRO 30 -4.210 -4.831 -8.407
208 2HG PRO 30 2HG PRO 30 -4.862 -4.673 -6.754
209 1HD PRO 30 1HD PRO 30 -3.033 -2.921 -7.752
210 2HD PRO 30 2HD PRO 30 -3.004 -3.412 -6.037
211 H LEU 31 H LEU 31 -2.315 -4.613 -9.516
212 HA LEU 31 HA LEU 31 -1.892 -6.645 -11.450
213 1HB LEU 31 1HB LEU 31 -2.141 -3.655 -11.571
214 2HB LEU 31 2HB LEU 31 -1.753 -4.584 -13.015
215 HG LEU 31 HG LEU 31 -4.147 -5.286 -11.270
216 1HD1 LEU 31 1HD1 LEU 31 -5.511 -4.033 -12.878
217 2HD1 LEU 31 2HD1 LEU 31 -4.368 -2.977 -12.027
218 3HD1 LEU 31 3HD1 LEU 31 -4.032 -3.478 -13.706
219 1HD2 LEU 31 1HD2 LEU 31 -3.468 -5.931 -14.185
220 2HD2 LEU 31 2HD2 LEU 31 -3.464 -7.085 -12.837
221 3HD2 LEU 31 3HD2 LEU 31 -4.981 -6.355 -13.358
222 H LEU 32 H LEU 32 0.413 -4.680 -9.715
223 HA LEU 32 HA LEU 32 2.570 -5.429 -11.639
224 1HB LEU 32 1HB LEU 32 2.240 -3.359 -9.467
225 2HB LEU 32 2HB LEU 32 3.838 -3.813 -9.972
226 HG LEU 32 HG LEU 32 1.747 -2.794 -11.931
227 1HD1 LEU 32 1HD1 LEU 32 4.005 -1.277 -10.540
228 2HD1 LEU 32 2HD1 LEU 32 3.001 -0.645 -11.866
229 3HD1 LEU 32 3HD1 LEU 32 2.258 -1.020 -10.311
230 1HD2 LEU 32 1HD2 LEU 32 3.730 -2.370 -13.387
231 2HD2 LEU 32 2HD2 LEU 32 4.776 -3.140 -12.173
232 3HD2 LEU 32 3HD2 LEU 32 3.536 -4.082 -13.027
233 H GLN 33 H GLN 33 0.952 -6.483 -8.885
234 HA GLN 33 HA GLN 33 1.303 -7.590 -7.057
235 1HB GLN 33 1HB GLN 33 1.711 -9.258 -8.967
236 2HB GLN 33 2HB GLN 33 3.431 -9.131 -8.606
237 1HG GLN 33 1HG GLN 33 1.939 -9.571 -6.144
238 2HG GLN 33 2HG GLN 33 1.391 -10.732 -7.341
239 1HE2 GLN 33 1HE2 GLN 33 4.481 -9.403 -6.102
240 2HE2 GLN 33 2HE2 GLN 33 5.394 -10.884 -6.109
241 H GLN 34 H GLN 34 2.562 -5.107 -6.984
242 HA GLN 34 HA GLN 34 4.836 -5.585 -5.205
243 1HB GLN 34 1HB GLN 34 5.574 -5.710 -7.779
244 2HB GLN 34 2HB GLN 34 5.308 -3.949 -7.707
245 1HG GLN 34 1HG GLN 34 7.028 -3.757 -5.991
246 2HG GLN 34 2HG GLN 34 7.297 -5.512 -6.070
247 1HE2 GLN 34 1HE2 GLN 34 6.942 -5.422 -9.141
248 2HE2 GLN 34 2HE2 GLN 34 8.490 -4.780 -9.675
249 H CYS 35 H CYS 35 5.670 -3.486 -4.503
250 HA CYS 35 HA CYS 35 3.569 -1.336 -4.543
251 1HB CYS 35 1HB CYS 35 5.794 -1.865 -2.573
252 2HB CYS 35 2HB CYS 35 4.801 -0.402 -2.591
253 H HIS 36 H HIS 36 4.076 0.717 -4.872
254 HA HIS 36 HA HIS 36 6.790 1.354 -5.963
255 1HB HIS 36 1HB HIS 36 5.823 2.570 -7.855
256 2HB HIS 36 2HB HIS 36 5.377 0.872 -7.906
257 HD1 HIS 36 1HD HIS 36 3.798 4.264 -6.827
258 HD2 HIS 36 2HD HIS 36 2.697 0.348 -8.139
259 HE1 HIS 36 1HE HIS 36 1.235 4.221 -7.088
260 HE2 HIS 36 2HE HIS 36 0.653 1.797 -7.897
261 HA PRO 37 HA PRO 37 6.098 4.966 -3.440
262 1HB PRO 37 1HB PRO 37 7.680 6.826 -4.897
263 2HB PRO 37 2HB PRO 37 8.187 5.836 -3.505
264 1HG PRO 37 1HG PRO 37 9.013 5.548 -6.273
265 2HG PRO 37 2HG PRO 37 9.509 4.580 -4.858
266 1HD PRO 37 1HD PRO 37 7.565 3.927 -6.967
267 2HD PRO 37 2HD PRO 37 8.339 2.856 -5.765
268 H PHE 38 H PHE 38 5.110 7.293 -3.757
269 HA PHE 38 HA PHE 38 4.227 7.943 -6.402
270 1HB PHE 38 1HB PHE 38 1.925 7.749 -6.221
271 2HB PHE 38 2HB PHE 38 2.490 6.209 -5.625
272 HD1 PHE 38 1HD PHE 38 0.529 9.158 -4.935
273 HD2 PHE 38 2HD PHE 38 2.495 5.813 -3.045
274 HE1 PHE 38 1HE PHE 38 -0.826 9.508 -2.926
275 HE2 PHE 38 2HE PHE 38 1.015 6.109 -1.068
276 HZ PHE 38 HZ PHE 38 -0.616 7.954 -0.985
277 H VAL 39 H VAL 39 2.925 10.035 -6.255
278 HA VAL 39 HA VAL 39 4.249 11.748 -4.246
279 HB VAL 39 HB VAL 39 2.757 12.412 -6.841
280 1HG1 VAL 39 1HG1 VAL 39 2.600 14.225 -5.215
281 2HG1 VAL 39 2HG1 VAL 39 4.332 14.130 -4.892
282 3HG1 VAL 39 3HG1 VAL 39 3.758 14.673 -6.485
283 1HG2 VAL 39 1HG2 VAL 39 5.033 13.029 -7.673
284 2HG2 VAL 39 2HG2 VAL 39 5.744 12.374 -6.183
285 3HG2 VAL 39 3HG2 VAL 39 4.911 11.302 -7.329
286 H TYR 40 H TYR 40 3.079 12.357 -2.510
287 HA TYR 40 HA TYR 40 0.125 12.483 -2.636
288 1HB TYR 40 1HB TYR 40 0.709 10.537 -1.386
289 2HB TYR 40 2HB TYR 40 2.024 11.333 -0.585
290 HD1 TYR 40 1HD TYR 40 1.788 12.070 1.524
291 HD2 TYR 40 2HD TYR 40 -1.758 11.595 -0.873
292 HE1 TYR 40 1HE TYR 40 0.427 12.543 3.500
293 HE2 TYR 40 2HE TYR 40 -3.163 12.018 1.121
294 HH TYR 40 HH TYR 40 -2.747 13.239 3.574
295 H GLY 41 H GLY 41 -0.585 14.208 -0.909
296 1HA GLY 41 1HA GLY 41 1.433 16.420 -0.869
297 2HA GLY 41 2HA GLY 41 -0.245 16.615 -1.320
298 H GLY 42 H GLY 42 -0.043 14.451 1.324
299 1HA GLY 42 1HA GLY 42 -0.150 14.743 3.641
300 2HA GLY 42 2HA GLY 42 0.041 16.486 3.462
301 H CYS 43 H CYS 43 -1.980 17.128 1.689
302 HA CYS 43 HA CYS 43 -4.444 16.873 3.200
303 1HB CYS 43 1HB CYS 43 -5.338 18.057 1.110
304 2HB CYS 43 2HB CYS 43 -4.131 18.886 2.062
305 H GLU 44 H GLU 44 -6.421 16.390 1.409
306 HA GLU 44 HA GLU 44 -7.083 13.862 1.654
307 1HB GLU 44 1HB GLU 44 -7.669 15.345 -0.924
308 2HB GLU 44 2HB GLU 44 -8.560 13.997 -0.232
309 1HG GLU 44 1HG GLU 44 -9.892 15.689 0.475
310 2HG GLU 44 2HG GLU 44 -8.826 15.592 1.871
311 H GLY 45 H GLY 45 -6.715 11.836 0.920
312 1HA GLY 45 1HA GLY 45 -5.806 11.238 -1.683
313 2HA GLY 45 2HA GLY 45 -4.554 10.909 -0.482
314 H ASN 46 H ASN 46 -5.527 8.616 -1.621
315 HA ASN 46 HA ASN 46 -7.848 7.734 0.010
316 1HB ASN 46 1HB ASN 46 -6.498 5.836 -1.862
317 2HB ASN 46 2HB ASN 46 -8.164 5.955 -1.333
318 1HD2 ASN 46 1HD2 ASN 46 -7.493 5.457 -4.012
319 2HD2 ASN 46 2HD2 ASN 46 -8.188 6.837 -4.887
320 H GLY 47 H GLY 47 -7.609 5.413 0.796
321 1HA GLY 47 1HA GLY 47 -5.655 5.439 2.882
322 2HA GLY 47 2HA GLY 47 -6.822 4.162 2.565
323 H ASN 48 H ASN 48 -5.175 4.408 -0.300
324 HA ASN 48 HA ASN 48 -3.370 2.150 0.371
325 1HB ASN 48 1HB ASN 48 -4.732 2.165 -1.734
326 2HB ASN 48 2HB ASN 48 -3.852 3.510 -2.300
327 1HD2 ASN 48 1HD2 ASN 48 -3.686 1.376 -3.855
328 2HD2 ASN 48 2HD2 ASN 48 -2.230 0.413 -3.737
329 H ASN 49 H ASN 49 -2.412 3.718 1.933
330 HA ASN 49 HA ASN 49 -0.263 5.364 0.670
331 1HB ASN 49 1HB ASN 49 -2.351 6.650 1.423
332 2HB ASN 49 2HB ASN 49 -1.983 6.157 3.070
333 1HD2 ASN 49 1HD2 ASN 49 -1.970 8.785 1.418
334 2HD2 ASN 49 2HD2 ASN 49 -0.477 9.573 1.832
335 H PHE 50 H PHE 50 1.494 4.275 1.253
336 HA PHE 50 HA PHE 50 1.658 3.041 3.933
337 1HB PHE 50 1HB PHE 50 2.921 2.209 1.312
338 2HB PHE 50 2HB PHE 50 3.452 1.584 2.804
339 HD1 PHE 50 1HD PHE 50 1.925 0.284 4.325
340 HD2 PHE 50 2HD PHE 50 0.675 1.522 0.378
341 HE1 PHE 50 1HE PHE 50 -0.033 -1.216 4.460
342 HE2 PHE 50 2HE PHE 50 -1.228 -0.066 0.499
343 HZ PHE 50 HZ PHE 50 -1.588 -1.426 2.538
344 H HIS 51 H HIS 51 3.697 2.861 4.784
345 HA HIS 51 HA HIS 51 4.943 5.512 5.017
346 1HB HIS 51 1HB HIS 51 5.651 2.958 6.546
347 2HB HIS 51 2HB HIS 51 5.647 4.605 7.119
348 HD1 HIS 51 1HD HIS 51 3.671 1.506 7.189
349 HD2 HIS 51 2HD HIS 51 2.784 5.644 7.053
350 HE1 HIS 51 1HE HIS 51 1.149 1.749 7.730
351 HE2 HIS 51 2HE HIS 51 0.626 4.261 7.636
352 H SER 52 H SER 52 5.602 2.313 3.665
353 HA SER 52 HA SER 52 8.258 3.110 2.772
354 1HB SER 52 1HB SER 52 9.206 1.016 4.064
355 2HB SER 52 2HB SER 52 9.001 2.534 4.940
356 HG SER 52 HG SER 52 8.085 0.422 5.900
357 H ARG 53 H ARG 53 9.235 1.357 1.604
358 HA ARG 53 HA ARG 53 7.528 -0.074 -0.227
359 1HB ARG 53 1HB ARG 53 9.781 0.649 -0.786
360 2HB ARG 53 2HB ARG 53 10.455 -0.332 0.518
361 1HG ARG 53 1HG ARG 53 10.756 -1.397 -1.559
362 2HG ARG 53 2HG ARG 53 9.686 -2.389 -0.583
363 1HD ARG 53 1HD ARG 53 7.785 -1.327 -1.991
364 2HD ARG 53 2HD ARG 53 9.038 -0.682 -3.013
365 HE ARG 53 HE ARG 53 8.783 -3.601 -2.396
366 1HH1 ARG 53 2HH2 ARG 53 8.636 -1.378 -5.103
367 2HH1 ARG 53 1HH2 ARG 53 9.395 -2.499 -6.180
368 1HH2 ARG 53 1HH1 ARG 53 9.201 -5.022 -3.829
369 2HH2 ARG 53 2HH1 ARG 53 9.691 -4.663 -5.482
370 H GLU 54 H GLU 54 9.451 -1.038 2.561
371 HA GLU 54 HA GLU 54 8.914 -3.745 2.860
372 1HB GLU 54 1HB GLU 54 10.619 -2.696 4.046
373 2HB GLU 54 2HB GLU 54 9.707 -1.314 4.463
374 1HG GLU 54 1HG GLU 54 8.632 -3.625 5.908
375 2HG GLU 54 2HG GLU 54 10.390 -3.547 6.083
376 H SER 55 H SER 55 7.401 -1.347 4.965
377 HA SER 55 HA SER 55 5.406 -2.965 5.759
378 1HB SER 55 1HB SER 55 4.042 -1.035 6.494
379 2HB SER 55 2HB SER 55 5.757 -0.843 6.886
380 HG SER 55 HG SER 55 5.985 0.631 5.335
381 H CYS 56 H CYS 56 5.253 -1.317 2.733
382 HA CYS 56 HA CYS 56 2.461 -1.858 2.231
383 1HB CYS 56 1HB CYS 56 4.173 -0.117 1.164
384 2HB CYS 56 2HB CYS 56 4.864 -1.453 0.340
385 H GLU 57 H GLU 57 5.461 -3.438 1.164
386 HA GLU 57 HA GLU 57 3.924 -5.476 -0.244
387 1HB GLU 57 1HB GLU 57 6.895 -5.362 0.430
388 2HB GLU 57 2HB GLU 57 6.102 -6.659 -0.506
389 1HG GLU 57 1HG GLU 57 5.073 -4.795 -1.951
390 2HG GLU 57 2HG GLU 57 6.225 -3.694 -1.193
391 H ASP 58 H ASP 58 5.185 -5.165 3.083
392 HA ASP 58 HA ASP 58 4.446 -7.916 3.681
393 1HB ASP 58 1HB ASP 58 6.236 -6.472 4.827
394 2HB ASP 58 2HB ASP 58 4.898 -5.677 5.663
395 H ALA 59 H ALA 59 2.656 -4.708 3.552
396 HA ALA 59 HA ALA 59 0.501 -5.718 5.155
397 1HB ALA 59 1HB ALA 59 -0.773 -3.846 4.149
398 2HB ALA 59 2HB ALA 59 0.781 -3.339 4.832
399 3HB ALA 59 3HB ALA 59 0.591 -3.508 3.062
400 H CYS 60 H CYS 60 1.131 -5.726 1.591
401 HA CYS 60 HA CYS 60 -1.045 -7.764 1.444
402 1HB CYS 60 1HB CYS 60 -0.527 -5.561 -0.470
403 2HB CYS 60 2HB CYS 60 -1.176 -7.103 -1.018
404 HA PRO 61 HA PRO 61 2.653 -10.043 0.219
405 1HB PRO 61 1HB PRO 61 2.406 -12.153 1.917
406 2HB PRO 61 2HB PRO 61 3.058 -10.580 2.472
407 1HG PRO 61 1HG PRO 61 0.244 -11.648 2.800
408 2HG PRO 61 2HG PRO 61 1.287 -10.851 4.024
409 1HD PRO 61 1HD PRO 61 -0.652 -9.563 2.505
410 2HD PRO 61 2HD PRO 61 0.759 -8.734 3.193
411 H VAL 62 H VAL 62 2.363 -12.644 -0.281
412 HA VAL 62 HA VAL 62 -0.313 -13.224 -1.310
413 HB VAL 62 HB VAL 62 2.056 -13.627 -3.145
414 1HG1 VAL 62 1HG1 VAL 62 -0.937 -13.434 -3.656
415 2HG1 VAL 62 2HG1 VAL 62 0.278 -13.567 -4.934
416 3HG1 VAL 62 3HG1 VAL 62 0.072 -14.891 -3.799
417 1HG2 VAL 62 1HG2 VAL 62 1.400 -11.611 -4.477
418 2HG2 VAL 62 2HG2 VAL 62 0.291 -11.144 -3.175
419 3HG2 VAL 62 3HG2 VAL 62 2.040 -11.183 -2.894
420 H VAL 63 H VAL 63 -0.047 -15.706 -2.171
421 HA VAL 63 HA VAL 63 0.726 -17.325 -0.038
422 HB VAL 63 HB VAL 63 1.058 -18.348 -2.841
423 1HG1 VAL 63 1HG1 VAL 63 -0.127 -19.589 -0.332
424 2HG1 VAL 63 2HG1 VAL 63 0.053 -20.394 -1.904
425 3HG1 VAL 63 3HG1 VAL 63 1.493 -19.901 -1.003
426 1HG2 VAL 63 1HG2 VAL 63 -1.429 -18.812 -2.924
427 2HG2 VAL 63 2HG2 VAL 63 -1.631 -17.776 -1.497
428 3HG2 VAL 63 3HG2 VAL 63 -1.052 -17.097 -3.037
429 H ASP 64 H ASP 64 2.588 -18.254 0.554
430 HA ASP 64 HA ASP 64 4.882 -16.815 0.496
431 1HB ASP 64 1HB ASP 64 4.620 -18.560 2.117
432 2HB ASP 64 2HB ASP 64 4.716 -19.816 0.863
433 H HIS 65 H HIS 65 6.086 -16.083 -1.125
434 HA HIS 65 HA HIS 65 6.474 -17.579 -3.524
435 1HB HIS 65 1HB HIS 65 7.581 -14.950 -2.499
436 2HB HIS 65 2HB HIS 65 8.136 -15.686 -3.996
437 HD1 HIS 65 1HD HIS 65 4.333 -15.872 -3.137
438 HD2 HIS 65 2HD HIS 65 7.115 -13.739 -5.557
439 HE1 HIS 65 1HE HIS 65 2.989 -14.580 -4.883
440 HE2 HIS 65 2HE HIS 65 4.596 -13.267 -6.294
441 H HIS 66 H HIS 66 8.143 -17.457 -0.440
442 HA HIS 66 HA HIS 66 10.682 -18.538 -1.389
443 1HB HIS 66 1HB HIS 66 9.639 -18.741 1.439
444 2HB HIS 66 2HB HIS 66 11.293 -18.645 0.895
445 HD1 HIS 66 1HD HIS 66 8.316 -16.550 1.824
446 HD2 HIS 66 2HD HIS 66 12.336 -16.100 0.607
447 HE1 HIS 66 1HE HIS 66 9.014 -14.099 2.436
448 HE2 HIS 66 2HE HIS 66 11.452 -13.847 1.654
449 H HIS 67 H HIS 67 7.662 -19.851 -1.442
450 HA HIS 67 HA HIS 67 7.230 -21.976 -0.237
451 1HB HIS 67 1HB HIS 67 6.255 -23.103 -2.138
452 2HB HIS 67 2HB HIS 67 5.883 -21.408 -2.154
453 HD1 HIS 67 1HD HIS 67 8.356 -20.234 -3.885
454 HD2 HIS 67 2HD HIS 67 6.334 -23.904 -4.576
455 HE1 HIS 67 1HE HIS 67 8.817 -20.939 -6.315
456 HE2 HIS 67 2HE HIS 67 7.564 -23.241 -6.653
457 H HIS 68 H HIS 68 8.444 -23.387 0.711
458 HA HIS 68 HA HIS 68 10.903 -24.408 -0.307
459 1HB HIS 68 1HB HIS 68 9.974 -24.025 2.142
460 2HB HIS 68 2HB HIS 68 9.397 -25.677 1.999
461 HD1 HIS 68 1HD HIS 68 12.524 -23.631 2.603
462 HD2 HIS 68 2HD HIS 68 11.366 -27.626 1.817
463 HE1 HIS 68 1HE HIS 68 14.533 -25.119 3.239
464 HE2 HIS 68 2HE HIS 68 13.817 -27.550 2.756
465 H HIS 69 H HIS 69 8.865 -25.096 -2.253
466 HA HIS 69 HA HIS 69 9.348 -27.874 -2.574
467 1HB HIS 69 1HB HIS 69 6.991 -28.561 -2.984
468 2HB HIS 69 2HB HIS 69 7.338 -28.224 -1.308
469 HD1 HIS 69 1HD HIS 69 5.583 -26.326 -4.295
470 HD2 HIS 69 2HD HIS 69 5.478 -26.919 -0.086
471 HE1 HIS 69 1HE HIS 69 3.468 -25.200 -3.450
472 HE2 HIS 69 2HE HIS 69 3.400 -25.532 -0.886
473 H HIS 70 H HIS 70 8.117 -28.382 -4.942
474 HA HIS 70 HA HIS 70 9.217 -26.448 -6.791
475 1HB HIS 70 1HB HIS 70 7.046 -28.564 -7.198
476 2HB HIS 70 2HB HIS 70 7.707 -27.554 -8.468
477 HD1 HIS 70 1HD HIS 70 7.952 -30.832 -8.318
478 HD2 HIS 70 2HD HIS 70 10.868 -27.832 -7.704
479 HE1 HIS 70 1HE HIS 70 10.234 -31.905 -8.850
480 HE2 HIS 70 2HE HIS 70 12.003 -30.069 -8.472
Start of MODEL 7
1 1H GLU 1 1H GLU 1 -14.459 -6.563 -4.437
2 2H GLU 1 2H GLU 1 -12.872 -6.059 -4.422
3 3H GLU 1 H GLU 1 -13.552 -6.850 -3.122
4 HA GLU 1 HA GLU 1 -12.059 -8.225 -4.494
5 1HB GLU 1 1HB GLU 1 -13.814 -10.128 -4.787
6 2HB GLU 1 2HB GLU 1 -13.279 -9.594 -3.220
7 1HG GLU 1 1HG GLU 1 -15.948 -8.922 -4.477
8 2HG GLU 1 2HG GLU 1 -15.654 -10.046 -3.144
9 H ALA 2 H ALA 2 -11.268 -7.813 -6.439
10 HA ALA 2 HA ALA 2 -12.763 -8.458 -8.797
11 1HB ALA 2 1HB ALA 2 -13.607 -6.151 -8.570
12 2HB ALA 2 2HB ALA 2 -11.956 -5.530 -8.366
13 3HB ALA 2 3HB ALA 2 -12.457 -6.242 -9.915
14 H GLU 3 H GLU 3 -10.018 -6.475 -7.597
15 HA GLU 3 HA GLU 3 -8.155 -7.489 -9.575
16 1HB GLU 3 1HB GLU 3 -7.312 -6.083 -7.017
17 2HB GLU 3 2HB GLU 3 -6.609 -6.030 -8.614
18 1HG GLU 3 1HG GLU 3 -7.484 -3.919 -8.375
19 2HG GLU 3 2HG GLU 3 -8.721 -4.715 -9.341
20 H ALA 4 H ALA 4 -8.682 -7.783 -6.073
21 HA ALA 4 HA ALA 4 -7.337 -10.418 -6.046
22 1HB ALA 4 1HB ALA 4 -7.225 -8.293 -3.869
23 2HB ALA 4 2HB ALA 4 -6.585 -9.943 -3.727
24 3HB ALA 4 3HB ALA 4 -5.888 -8.817 -4.904
25 H GLU 5 H GLU 5 -8.045 -11.519 -3.914
26 HA GLU 5 HA GLU 5 -10.704 -12.385 -4.068
27 1HB GLU 5 1HB GLU 5 -8.595 -12.555 -1.883
28 2HB GLU 5 2HB GLU 5 -10.115 -13.459 -1.837
29 1HG GLU 5 1HG GLU 5 -9.560 -14.717 -3.812
30 2HG GLU 5 2HG GLU 5 -8.168 -13.692 -4.164
31 H PHE 6 H PHE 6 -9.444 -9.575 -2.494
32 HA PHE 6 HA PHE 6 -12.033 -8.738 -1.559
33 1HB PHE 6 1HB PHE 6 -11.169 -9.837 0.469
34 2HB PHE 6 2HB PHE 6 -9.621 -9.013 0.294
35 HD1 PHE 6 1HD PHE 6 -9.271 -7.135 1.683
36 HD2 PHE 6 2HD PHE 6 -13.296 -8.110 0.440
37 HE1 PHE 6 1HE PHE 6 -10.145 -5.195 2.950
38 HE2 PHE 6 2HE PHE 6 -14.144 -6.151 1.670
39 HZ PHE 6 HZ PHE 6 -12.571 -4.680 2.928
40 H THR 7 H THR 7 -11.711 -6.235 -1.093
41 HA THR 7 HA THR 7 -9.274 -5.219 -2.465
42 HB THR 7 HB THR 7 -12.023 -4.028 -2.810
43 HG1 THR 7 1HG THR 7 -10.615 -4.997 -5.025
44 1HG2 THR 7 1HG2 THR 7 -10.986 -2.446 -4.297
45 2HG2 THR 7 2HG2 THR 7 -10.015 -2.430 -2.822
46 3HG2 THR 7 3HG2 THR 7 -9.446 -3.296 -4.259
47 H ASP 8 H ASP 8 -8.222 -4.813 -0.603
48 HA ASP 8 HA ASP 8 -9.464 -3.230 1.580
49 1HB ASP 8 1HB ASP 8 -7.826 -4.889 2.289
50 2HB ASP 8 2HB ASP 8 -6.674 -4.361 1.057
51 H ALA 9 H ALA 9 -8.034 -1.168 2.111
52 HA ALA 9 HA ALA 9 -8.207 0.799 0.059
53 1HB ALA 9 1HB ALA 9 -6.559 2.069 1.406
54 2HB ALA 9 2HB ALA 9 -7.801 1.369 2.475
55 3HB ALA 9 3HB ALA 9 -6.180 0.633 2.357
56 H CYS 10 H CYS 10 -5.614 -1.513 0.875
57 HA CYS 10 HA CYS 10 -3.530 -0.165 -0.588
58 1HB CYS 10 1HB CYS 10 -2.223 -2.102 -0.134
59 2HB CYS 10 2HB CYS 10 -3.242 -1.810 1.273
60 H VAL 11 H VAL 11 -6.097 -2.366 -1.550
61 HA VAL 11 HA VAL 11 -4.826 -3.195 -4.035
62 HB VAL 11 HB VAL 11 -7.679 -3.470 -3.031
63 1HG1 VAL 11 1HG1 VAL 11 -7.331 -3.965 -5.471
64 2HG1 VAL 11 2HG1 VAL 11 -6.170 -5.236 -5.001
65 3HG1 VAL 11 3HG1 VAL 11 -7.875 -5.359 -4.536
66 1HG2 VAL 11 1HG2 VAL 11 -6.279 -4.530 -1.371
67 2HG2 VAL 11 2HG2 VAL 11 -6.982 -5.805 -2.362
68 3HG2 VAL 11 3HG2 VAL 11 -5.296 -5.317 -2.621
69 H LEU 12 H LEU 12 -6.630 -0.483 -2.864
70 HA LEU 12 HA LEU 12 -7.701 0.448 -5.348
71 1HB LEU 12 1HB LEU 12 -9.040 1.103 -3.923
72 2HB LEU 12 2HB LEU 12 -7.990 1.187 -2.529
73 HG LEU 12 HG LEU 12 -7.292 3.478 -3.443
74 1HD1 LEU 12 1HD1 LEU 12 -7.987 3.602 -5.729
75 2HD1 LEU 12 2HD1 LEU 12 -9.572 2.855 -5.396
76 3HD1 LEU 12 3HD1 LEU 12 -9.226 4.519 -4.899
77 1HD2 LEU 12 1HD2 LEU 12 -9.366 4.510 -2.551
78 2HD2 LEU 12 2HD2 LEU 12 -10.199 2.946 -2.700
79 3HD2 LEU 12 3HD2 LEU 12 -8.832 3.123 -1.586
80 HA PRO 13 HA PRO 13 -3.878 2.300 -6.718
81 1HB PRO 13 1HB PRO 13 -5.827 4.145 -8.082
82 2HB PRO 13 2HB PRO 13 -4.387 3.341 -8.768
83 1HG PRO 13 1HG PRO 13 -6.898 2.369 -9.255
84 2HG PRO 13 2HG PRO 13 -5.513 1.266 -8.972
85 1HD PRO 13 1HD PRO 13 -7.740 1.978 -7.057
86 2HD PRO 13 2HD PRO 13 -6.853 0.466 -7.248
87 H ALA 14 H ALA 14 -2.792 4.335 -6.561
88 HA ALA 14 HA ALA 14 -3.486 5.761 -4.098
89 1HB ALA 14 1HB ALA 14 -1.282 6.792 -4.381
90 2HB ALA 14 2HB ALA 14 -1.160 5.040 -4.572
91 3HB ALA 14 3HB ALA 14 -1.124 6.099 -6.007
92 H VAL 15 H VAL 15 -3.404 8.145 -4.005
93 HA VAL 15 HA VAL 15 -4.063 9.636 -6.453
94 HB VAL 15 HB VAL 15 -5.661 9.450 -3.894
95 1HG1 VAL 15 1HG1 VAL 15 -7.059 11.349 -4.598
96 2HG1 VAL 15 2HG1 VAL 15 -5.440 11.811 -4.119
97 3HG1 VAL 15 3HG1 VAL 15 -5.866 11.747 -5.858
98 1HG2 VAL 15 1HG2 VAL 15 -6.327 7.972 -5.811
99 2HG2 VAL 15 2HG2 VAL 15 -7.584 9.151 -5.422
100 3HG2 VAL 15 3HG2 VAL 15 -6.527 9.403 -6.830
101 H GLN 16 H GLN 16 -3.436 11.800 -6.200
102 HA GLN 16 HA GLN 16 -1.054 12.154 -4.498
103 1HB GLN 16 1HB GLN 16 -2.373 14.277 -6.257
104 2HB GLN 16 2HB GLN 16 -0.797 14.328 -5.488
105 1HG GLN 16 1HG GLN 16 -0.162 12.342 -6.983
106 2HG GLN 16 2HG GLN 16 -1.674 12.652 -7.859
107 1HE2 GLN 16 1HE2 GLN 16 1.602 13.567 -7.543
108 2HE2 GLN 16 2HE2 GLN 16 1.525 15.138 -8.306
109 H GLY 17 H GLY 17 -4.089 13.946 -5.001
110 1HA GLY 17 1HA GLY 17 -5.537 14.473 -3.071
111 2HA GLY 17 2HA GLY 17 -4.066 15.027 -2.240
112 HA PRO 18 HA PRO 18 -6.009 18.290 -5.062
113 1HB PRO 18 1HB PRO 18 -6.769 20.163 -3.159
114 2HB PRO 18 2HB PRO 18 -7.807 18.847 -3.777
115 1HG PRO 18 1HG PRO 18 -6.233 18.936 -1.207
116 2HG PRO 18 2HG PRO 18 -7.880 18.302 -1.488
117 1HD PRO 18 1HD PRO 18 -5.668 16.677 -1.336
118 2HD PRO 18 2HD PRO 18 -7.052 16.277 -2.371
119 H CYS 19 H CYS 19 -3.892 18.661 -2.198
120 HA CYS 19 HA CYS 19 -2.661 21.081 -2.991
121 1HB CYS 19 1HB CYS 19 -1.290 18.884 -1.440
122 2HB CYS 19 2HB CYS 19 -0.997 20.583 -1.304
123 H ARG 20 H ARG 20 -0.485 21.314 -3.562
124 HA ARG 20 HA ARG 20 0.568 19.413 -5.595
125 1HB ARG 20 1HB ARG 20 0.385 22.395 -5.756
126 2HB ARG 20 2HB ARG 20 1.679 21.550 -6.554
127 1HG ARG 20 1HG ARG 20 -0.098 22.083 -8.084
128 2HG ARG 20 2HG ARG 20 0.184 20.368 -8.005
129 1HD ARG 20 1HD ARG 20 -2.129 21.679 -6.543
130 2HD ARG 20 2HD ARG 20 -2.221 21.268 -8.258
131 HE ARG 20 HE ARG 20 -2.600 19.536 -6.060
132 1HH1 ARG 20 2HH2 ARG 20 -1.477 19.403 -9.415
133 2HH1 ARG 20 1HH2 ARG 20 -1.532 17.659 -9.474
134 1HH2 ARG 20 2HH1 ARG 20 -2.631 17.261 -6.158
135 2HH2 ARG 20 1HH1 ARG 20 -2.061 16.444 -7.586
136 H GLY 21 H GLY 21 1.103 20.115 -2.652
137 1HA GLY 21 1HA GLY 21 4.049 20.587 -2.659
138 2HA GLY 21 2HA GLY 21 3.046 20.159 -1.229
139 H TRP 22 H TRP 22 5.490 18.538 -2.137
140 HA TRP 22 HA TRP 22 4.078 16.092 -3.042
141 1HB TRP 22 1HB TRP 22 6.813 17.064 -3.895
142 2HB TRP 22 2HB TRP 22 6.054 15.567 -4.372
143 HD1 TRP 22 HD TRP 22 7.030 18.340 -6.021
144 HE1 TRP 22 1HE TRP 22 5.496 19.240 -7.851
145 HE3 TRP 22 3HE TRP 22 2.631 16.076 -4.626
146 HZ2 TRP 22 2HZ TRP 22 2.733 18.944 -8.679
147 HZ3 TRP 22 3HZ TRP 22 0.589 16.424 -5.932
148 HH2 TRP 22 HH TRP 22 0.641 17.796 -8.005
149 H GLU 23 H GLU 23 3.994 14.906 -1.408
150 HA GLU 23 HA GLU 23 6.255 14.441 0.470
151 1HB GLU 23 1HB GLU 23 4.214 15.084 1.587
152 2HB GLU 23 2HB GLU 23 3.238 13.982 0.625
153 1HG GLU 23 1HG GLU 23 3.383 13.039 2.728
154 2HG GLU 23 2HG GLU 23 4.368 12.050 1.665
155 HA PRO 24 HA PRO 24 6.436 10.568 -2.109
156 1HB PRO 24 1HB PRO 24 8.727 9.524 -1.095
157 2HB PRO 24 2HB PRO 24 8.732 10.914 -2.223
158 1HG PRO 24 1HG PRO 24 8.982 10.964 0.798
159 2HG PRO 24 2HG PRO 24 9.963 11.847 -0.412
160 1HD PRO 24 1HD PRO 24 7.838 12.966 0.924
161 2HD PRO 24 2HD PRO 24 8.276 13.448 -0.741
162 H ARG 25 H ARG 25 5.156 8.905 -1.629
163 HA ARG 25 HA ARG 25 5.398 7.611 1.047
164 1HB ARG 25 1HB ARG 25 2.809 8.331 -0.392
165 2HB ARG 25 2HB ARG 25 2.878 7.206 0.968
166 1HG ARG 25 1HG ARG 25 3.744 10.113 1.063
167 2HG ARG 25 2HG ARG 25 2.188 9.496 1.598
168 1HD ARG 25 1HD ARG 25 3.268 8.095 3.296
169 2HD ARG 25 2HD ARG 25 4.863 8.637 2.788
170 HE ARG 25 HE ARG 25 4.617 10.681 3.796
171 1HH1 ARG 25 2HH2 ARG 25 1.444 9.078 3.946
172 2HH1 ARG 25 1HH2 ARG 25 0.747 10.292 4.967
173 1HH2 ARG 25 2HH1 ARG 25 3.815 12.143 5.070
174 2HH2 ARG 25 1HH1 ARG 25 2.192 12.148 5.732
175 H TRP 26 H TRP 26 4.104 5.390 0.882
176 HA TRP 26 HA TRP 26 4.951 4.088 -1.677
177 1HB TRP 26 1HB TRP 26 5.008 3.190 1.226
178 2HB TRP 26 2HB TRP 26 4.963 2.031 -0.096
179 HD1 TRP 26 HD TRP 26 7.254 4.781 1.343
180 HE1 TRP 26 1HE TRP 26 9.608 4.488 0.396
181 HE3 TRP 26 3HE TRP 26 6.323 0.923 -1.860
182 HZ2 TRP 26 2HZ TRP 26 10.922 2.791 -1.610
183 HZ3 TRP 26 3HZ TRP 26 8.025 0.254 -3.531
184 HH2 TRP 26 HH TRP 26 10.343 0.998 -3.284
185 H ALA 27 H ALA 27 3.378 2.787 -2.721
186 HA ALA 27 HA ALA 27 0.866 2.304 -1.273
187 1HB ALA 27 1HB ALA 27 1.020 3.647 -4.007
188 2HB ALA 27 2HB ALA 27 -0.412 2.799 -3.416
189 3HB ALA 27 3HB ALA 27 0.159 4.207 -2.534
190 H TYR 28 H TYR 28 -0.187 0.470 -1.943
191 HA TYR 28 HA TYR 28 1.470 -1.491 -3.399
192 1HB TYR 28 1HB TYR 28 0.302 -2.180 -1.327
193 2HB TYR 28 2HB TYR 28 -1.215 -1.740 -2.037
194 HD1 TYR 28 1HD TYR 28 -2.508 -3.539 -2.809
195 HD2 TYR 28 2HD TYR 28 1.784 -3.819 -3.141
196 HE1 TYR 28 1HE TYR 28 -2.733 -5.729 -3.916
197 HE2 TYR 28 2HE TYR 28 1.561 -6.000 -4.242
198 HH TYR 28 HH TYR 28 -0.888 -7.796 -3.911
199 H SER 29 H SER 29 0.999 -2.254 -5.448
200 HA SER 29 HA SER 29 -1.505 -1.300 -6.694
201 1HB SER 29 1HB SER 29 1.299 -1.128 -7.696
202 2HB SER 29 2HB SER 29 -0.019 -1.094 -8.832
203 HG SER 29 HG SER 29 -0.545 0.366 -6.588
204 HA PRO 30 HA PRO 30 -1.608 -5.806 -6.977
205 1HB PRO 30 1HB PRO 30 -4.186 -6.090 -7.867
206 2HB PRO 30 2HB PRO 30 -3.769 -5.791 -6.150
207 1HG PRO 30 1HG PRO 30 -4.622 -3.773 -8.243
208 2HG PRO 30 2HG PRO 30 -5.234 -3.950 -6.585
209 1HD PRO 30 1HD PRO 30 -3.354 -2.113 -7.194
210 2HD PRO 30 2HD PRO 30 -3.274 -2.999 -5.644
211 H LEU 31 H LEU 31 -2.767 -3.450 -9.431
212 HA LEU 31 HA LEU 31 -2.494 -5.107 -11.701
213 1HB LEU 31 1HB LEU 31 -2.273 -2.075 -11.511
214 2HB LEU 31 2HB LEU 31 -2.534 -3.026 -12.954
215 HG LEU 31 HG LEU 31 -4.615 -3.902 -11.297
216 1HD1 LEU 31 1HD1 LEU 31 -4.109 -2.013 -9.712
217 2HD1 LEU 31 2HD1 LEU 31 -4.400 -0.868 -11.035
218 3HD1 LEU 31 3HD1 LEU 31 -5.713 -1.903 -10.441
219 1HD2 LEU 31 1HD2 LEU 31 -4.707 -1.701 -13.403
220 2HD2 LEU 31 2HD2 LEU 31 -4.800 -3.452 -13.701
221 3HD2 LEU 31 3HD2 LEU 31 -6.089 -2.646 -12.802
222 H LEU 32 H LEU 32 -0.044 -3.627 -9.737
223 HA LEU 32 HA LEU 32 2.038 -4.067 -11.835
224 1HB LEU 32 1HB LEU 32 1.884 -2.418 -9.321
225 2HB LEU 32 2HB LEU 32 3.440 -2.832 -9.990
226 HG LEU 32 HG LEU 32 1.307 -1.404 -11.636
227 1HD1 LEU 32 1HD1 LEU 32 2.651 0.660 -11.269
228 2HD1 LEU 32 2HD1 LEU 32 1.903 0.059 -9.792
229 3HD1 LEU 32 3HD1 LEU 32 3.643 -0.215 -10.081
230 1HD2 LEU 32 1HD2 LEU 32 3.235 -0.794 -13.089
231 2HD2 LEU 32 2HD2 LEU 32 4.312 -1.772 -12.064
232 3HD2 LEU 32 3HD2 LEU 32 3.017 -2.538 -13.005
233 H GLN 33 H GLN 33 0.436 -5.536 -9.350
234 HA GLN 33 HA GLN 33 0.690 -7.122 -7.886
235 1HB GLN 33 1HB GLN 33 1.276 -8.166 -10.175
236 2HB GLN 33 2HB GLN 33 2.960 -8.128 -9.657
237 1HG GLN 33 1HG GLN 33 1.386 -9.258 -7.540
238 2HG GLN 33 2HG GLN 33 0.838 -10.000 -9.032
239 1HE2 GLN 33 1HE2 GLN 33 4.005 -9.121 -7.520
240 2HE2 GLN 33 2HE2 GLN 33 4.784 -10.661 -7.928
241 H GLN 34 H GLN 34 2.161 -4.632 -7.259
242 HA GLN 34 HA GLN 34 4.082 -5.674 -5.305
243 1HB GLN 34 1HB GLN 34 5.148 -5.623 -7.766
244 2HB GLN 34 2HB GLN 34 5.179 -3.875 -7.466
245 1HG GLN 34 1HG GLN 34 6.661 -4.128 -5.606
246 2HG GLN 34 2HG GLN 34 6.571 -5.895 -5.719
247 1HE2 GLN 34 1HE2 GLN 34 6.769 -6.051 -8.677
248 2HE2 GLN 34 2HE2 GLN 34 8.429 -5.607 -9.036
249 H CYS 35 H CYS 35 5.161 -3.812 -4.209
250 HA CYS 35 HA CYS 35 3.378 -1.401 -4.120
251 1HB CYS 35 1HB CYS 35 5.522 -2.332 -2.214
252 2HB CYS 35 2HB CYS 35 4.757 -0.763 -2.120
253 H HIS 36 H HIS 36 4.174 0.618 -4.321
254 HA HIS 36 HA HIS 36 6.944 0.976 -5.360
255 1HB HIS 36 1HB HIS 36 6.208 2.099 -7.380
256 2HB HIS 36 2HB HIS 36 5.565 0.466 -7.334
257 HD1 HIS 36 1HD HIS 36 4.378 4.116 -6.741
258 HD2 HIS 36 2HD HIS 36 2.831 0.230 -7.552
259 HE1 HIS 36 1HE HIS 36 1.849 4.358 -7.131
260 HE2 HIS 36 2HE HIS 36 0.977 1.938 -7.608
261 HA PRO 37 HA PRO 37 6.556 4.866 -3.165
262 1HB PRO 37 1HB PRO 37 8.176 6.236 -5.255
263 2HB PRO 37 2HB PRO 37 8.537 6.027 -3.518
264 1HG PRO 37 1HG PRO 37 9.876 4.660 -5.510
265 2HG PRO 37 2HG PRO 37 9.578 3.977 -3.887
266 1HD PRO 37 1HD PRO 37 8.089 3.437 -6.453
267 2HD PRO 37 2HD PRO 37 8.560 2.313 -5.153
268 H PHE 38 H PHE 38 5.492 7.142 -3.579
269 HA PHE 38 HA PHE 38 4.695 7.678 -6.293
270 1HB PHE 38 1HB PHE 38 2.374 7.594 -6.109
271 2HB PHE 38 2HB PHE 38 2.912 6.047 -5.505
272 HD1 PHE 38 1HD PHE 38 2.948 5.692 -2.908
273 HD2 PHE 38 2HD PHE 38 0.946 9.008 -4.828
274 HE1 PHE 38 1HE PHE 38 1.381 5.913 -0.984
275 HE2 PHE 38 2HE PHE 38 -0.561 9.202 -2.899
276 HZ PHE 38 HZ PHE 38 -0.377 7.629 -0.989
277 H VAL 39 H VAL 39 3.579 9.792 -6.401
278 HA VAL 39 HA VAL 39 4.681 11.620 -4.359
279 HB VAL 39 HB VAL 39 3.443 12.097 -7.120
280 1HG1 VAL 39 1HG1 VAL 39 4.307 14.427 -6.807
281 2HG1 VAL 39 2HG1 VAL 39 3.023 13.998 -5.666
282 3HG1 VAL 39 3HG1 VAL 39 4.706 14.008 -5.124
283 1HG2 VAL 39 1HG2 VAL 39 6.342 12.263 -6.170
284 2HG2 VAL 39 2HG2 VAL 39 5.681 11.055 -7.293
285 3HG2 VAL 39 3HG2 VAL 39 5.752 12.754 -7.770
286 H TYR 40 H TYR 40 3.379 11.993 -2.712
287 HA TYR 40 HA TYR 40 0.428 12.035 -2.983
288 1HB TYR 40 1HB TYR 40 1.182 10.276 -1.508
289 2HB TYR 40 2HB TYR 40 2.375 11.292 -0.779
290 HD1 TYR 40 1HD TYR 40 2.010 11.894 1.346
291 HD2 TYR 40 2HD TYR 40 -1.395 11.474 -1.267
292 HE1 TYR 40 1HE TYR 40 0.539 12.474 3.207
293 HE2 TYR 40 2HE TYR 40 -2.885 12.153 0.598
294 HH TYR 40 HH TYR 40 -2.817 13.195 2.784
295 H GLY 41 H GLY 41 -0.479 13.847 -1.517
296 1HA GLY 41 1HA GLY 41 1.340 16.198 -1.634
297 2HA GLY 41 2HA GLY 41 -0.351 16.247 -2.028
298 H GLY 42 H GLY 42 0.258 14.322 0.745
299 1HA GLY 42 1HA GLY 42 0.447 14.659 2.977
300 2HA GLY 42 2HA GLY 42 0.703 16.395 2.737
301 H CYS 43 H CYS 43 -1.763 16.902 1.329
302 HA CYS 43 HA CYS 43 -3.742 16.762 3.486
303 1HB CYS 43 1HB CYS 43 -5.091 18.136 1.935
304 2HB CYS 43 2HB CYS 43 -3.514 18.805 2.287
305 H GLU 44 H GLU 44 -6.070 16.351 2.260
306 HA GLU 44 HA GLU 44 -6.816 13.834 2.440
307 1HB GLU 44 1HB GLU 44 -7.831 15.578 0.191
308 2HB GLU 44 2HB GLU 44 -8.635 14.198 0.936
309 1HG GLU 44 1HG GLU 44 -9.646 15.957 2.002
310 2HG GLU 44 2HG GLU 44 -8.434 15.488 3.176
311 H GLY 45 H GLY 45 -6.683 11.847 1.385
312 1HA GLY 45 1HA GLY 45 -6.210 11.512 -1.394
313 2HA GLY 45 2HA GLY 45 -4.784 11.067 -0.452
314 H ASN 46 H ASN 46 -5.436 8.766 -1.254
315 HA ASN 46 HA ASN 46 -7.863 7.725 0.110
316 1HB ASN 46 1HB ASN 46 -6.026 6.009 -1.559
317 2HB ASN 46 2HB ASN 46 -7.693 5.736 -1.132
318 1HD2 ASN 46 1HD2 ASN 46 -6.941 5.416 -3.886
319 2HD2 ASN 46 2HD2 ASN 46 -7.722 6.747 -4.686
320 H GLY 47 H GLY 47 -7.447 5.393 0.912
321 1HA GLY 47 1HA GLY 47 -5.779 5.708 3.287
322 2HA GLY 47 2HA GLY 47 -6.816 4.326 2.912
323 H ASN 48 H ASN 48 -5.213 4.386 0.163
324 HA ASN 48 HA ASN 48 -3.186 2.434 0.945
325 1HB ASN 48 1HB ASN 48 -4.468 2.151 -1.047
326 2HB ASN 48 2HB ASN 48 -3.967 3.612 -1.772
327 1HD2 ASN 48 1HD2 ASN 48 -3.559 1.478 -3.247
328 2HD2 ASN 48 2HD2 ASN 48 -2.055 0.629 -3.122
329 H ASN 49 H ASN 49 -2.068 3.844 2.390
330 HA ASN 49 HA ASN 49 0.002 5.467 1.027
331 1HB ASN 49 1HB ASN 49 -2.062 6.845 1.793
332 2HB ASN 49 2HB ASN 49 -1.588 6.459 3.442
333 1HD2 ASN 49 1HD2 ASN 49 -1.509 8.886 1.338
334 2HD2 ASN 49 2HD2 ASN 49 -0.013 9.675 1.726
335 H PHE 50 H PHE 50 1.755 4.328 1.663
336 HA PHE 50 HA PHE 50 1.915 3.234 4.404
337 1HB PHE 50 1HB PHE 50 3.031 2.145 1.794
338 2HB PHE 50 2HB PHE 50 3.436 1.503 3.314
339 HD1 PHE 50 1HD PHE 50 0.621 1.886 0.911
340 HD2 PHE 50 2HD PHE 50 1.778 0.277 4.749
341 HE1 PHE 50 1HE PHE 50 -1.565 0.724 1.111
342 HE2 PHE 50 2HE PHE 50 -0.431 -0.827 4.935
343 HZ PHE 50 HZ PHE 50 -2.142 -0.540 3.128
344 H HIS 51 H HIS 51 4.124 2.922 5.127
345 HA HIS 51 HA HIS 51 5.451 5.550 4.962
346 1HB HIS 51 1HB HIS 51 6.088 3.213 6.803
347 2HB HIS 51 2HB HIS 51 6.447 4.904 7.042
348 HD1 HIS 51 1HD HIS 51 4.092 6.458 7.624
349 HD2 HIS 51 2HD HIS 51 3.792 2.253 7.457
350 HE1 HIS 51 1HE HIS 51 1.763 5.850 8.580
351 HE2 HIS 51 2HE HIS 51 1.594 3.277 8.492
352 H SER 52 H SER 52 5.931 2.279 3.869
353 HA SER 52 HA SER 52 8.594 2.880 2.849
354 1HB SER 52 1HB SER 52 9.567 0.894 4.214
355 2HB SER 52 2HB SER 52 9.333 2.419 5.065
356 HG SER 52 HG SER 52 8.535 0.457 6.183
357 H ARG 53 H ARG 53 9.500 0.919 1.854
358 HA ARG 53 HA ARG 53 7.640 -0.484 0.152
359 1HB ARG 53 1HB ARG 53 9.974 -0.033 -0.476
360 2HB ARG 53 2HB ARG 53 10.554 -1.013 0.865
361 1HG ARG 53 1HG ARG 53 10.653 -2.187 -1.236
362 2HG ARG 53 2HG ARG 53 9.599 -3.029 -0.104
363 1HD ARG 53 1HD ARG 53 7.640 -1.986 -1.357
364 2HD ARG 53 2HD ARG 53 8.772 -1.333 -2.498
365 HE ARG 53 HE ARG 53 8.415 -4.253 -1.916
366 1HH1 ARG 53 2HH2 ARG 53 8.440 -1.965 -4.571
367 2HH1 ARG 53 1HH2 ARG 53 9.131 -3.118 -5.661
368 1HH2 ARG 53 2HH1 ARG 53 8.689 -5.670 -3.391
369 2HH2 ARG 53 1HH1 ARG 53 9.221 -5.311 -5.030
370 H GLU 54 H GLU 54 9.555 -1.371 2.955
371 HA GLU 54 HA GLU 54 8.843 -3.962 3.544
372 1HB GLU 54 1HB GLU 54 10.592 -2.922 4.634
373 2HB GLU 54 2HB GLU 54 9.801 -1.436 4.895
374 1HG GLU 54 1HG GLU 54 8.911 -3.840 6.513
375 2HG GLU 54 2HG GLU 54 10.474 -3.093 6.870
376 H SER 55 H SER 55 7.459 -1.251 5.302
377 HA SER 55 HA SER 55 5.405 -2.769 6.318
378 1HB SER 55 1HB SER 55 4.126 -0.672 6.848
379 2HB SER 55 2HB SER 55 5.817 -0.626 7.339
380 HG SER 55 HG SER 55 6.306 0.676 5.658
381 H CYS 56 H CYS 56 5.350 -1.301 3.188
382 HA CYS 56 HA CYS 56 2.528 -1.741 2.752
383 1HB CYS 56 1HB CYS 56 4.302 -0.165 1.531
384 2HB CYS 56 2HB CYS 56 4.858 -1.584 0.735
385 H GLU 57 H GLU 57 5.434 -3.538 1.767
386 HA GLU 57 HA GLU 57 3.676 -5.553 0.558
387 1HB GLU 57 1HB GLU 57 6.687 -5.517 0.886
388 2HB GLU 57 2HB GLU 57 5.765 -6.899 0.234
389 1HG GLU 57 1HG GLU 57 4.572 -5.222 -1.319
390 2HG GLU 57 2HG GLU 57 5.750 -4.022 -0.784
391 H ASP 58 H ASP 58 5.110 -5.126 3.783
392 HA ASP 58 HA ASP 58 4.293 -7.780 4.631
393 1HB ASP 58 1HB ASP 58 5.892 -6.516 5.981
394 2HB ASP 58 2HB ASP 58 4.705 -5.227 6.233
395 H ALA 59 H ALA 59 2.559 -4.514 4.246
396 HA ALA 59 HA ALA 59 0.299 -5.501 5.711
397 1HB ALA 59 1HB ALA 59 -0.848 -3.548 4.725
398 2HB ALA 59 2HB ALA 59 0.709 -3.113 5.457
399 3HB ALA 59 3HB ALA 59 0.554 -3.237 3.687
400 H CYS 60 H CYS 60 1.004 -5.245 2.161
401 HA CYS 60 HA CYS 60 -1.334 -7.015 1.725
402 1HB CYS 60 1HB CYS 60 -0.619 -4.487 0.313
403 2HB CYS 60 2HB CYS 60 -1.662 -5.729 -0.393
404 HA PRO 61 HA PRO 61 1.619 -9.346 -0.833
405 1HB PRO 61 1HB PRO 61 0.400 -11.757 -0.670
406 2HB PRO 61 2HB PRO 61 1.202 -11.040 0.754
407 1HG PRO 61 1HG PRO 61 -1.752 -10.922 0.047
408 2HG PRO 61 2HG PRO 61 -1.007 -11.449 1.594
409 1HD PRO 61 1HD PRO 61 -1.905 -8.906 1.157
410 2HD PRO 61 2HD PRO 61 -0.498 -9.243 2.211
411 H VAL 62 H VAL 62 0.565 -11.202 -2.521
412 HA VAL 62 HA VAL 62 -0.942 -9.659 -4.593
413 HB VAL 62 HB VAL 62 0.476 -12.366 -4.690
414 1HG1 VAL 62 1HG1 VAL 62 -0.871 -12.267 -6.637
415 2HG1 VAL 62 2HG1 VAL 62 -0.516 -10.541 -6.901
416 3HG1 VAL 62 3HG1 VAL 62 0.713 -11.801 -7.170
417 1HG2 VAL 62 1HG2 VAL 62 2.395 -11.154 -5.784
418 2HG2 VAL 62 2HG2 VAL 62 1.636 -9.615 -5.302
419 3HG2 VAL 62 3HG2 VAL 62 2.201 -10.770 -4.087
420 H VAL 63 H VAL 63 -2.367 -11.782 -5.809
421 HA VAL 63 HA VAL 63 -4.617 -12.263 -4.206
422 HB VAL 63 HB VAL 63 -3.722 -14.484 -5.969
423 1HG1 VAL 63 1HG1 VAL 63 -5.855 -14.649 -4.794
424 2HG1 VAL 63 2HG1 VAL 63 -6.420 -13.175 -5.614
425 3HG1 VAL 63 3HG1 VAL 63 -6.086 -14.640 -6.552
426 1HG2 VAL 63 1HG2 VAL 63 -3.157 -12.558 -7.422
427 2HG2 VAL 63 2HG2 VAL 63 -4.637 -13.312 -8.016
428 3HG2 VAL 63 3HG2 VAL 63 -4.738 -11.813 -7.077
429 H ASP 64 H ASP 64 -4.940 -13.701 -2.529
430 HA ASP 64 HA ASP 64 -2.388 -14.353 -1.296
431 1HB ASP 64 1HB ASP 64 -3.867 -13.089 0.046
432 2HB ASP 64 2HB ASP 64 -5.094 -14.357 -0.013
433 H HIS 65 H HIS 65 -1.431 -16.123 -1.403
434 HA HIS 65 HA HIS 65 -2.755 -18.612 -1.935
435 1HB HIS 65 1HB HIS 65 0.198 -17.817 -1.751
436 2HB HIS 65 2HB HIS 65 -0.376 -19.441 -2.080
437 HD1 HIS 65 1HD HIS 65 -1.648 -16.163 -3.883
438 HD2 HIS 65 2HD HIS 65 0.531 -19.751 -4.545
439 HE1 HIS 65 1HE HIS 65 -1.171 -16.264 -6.359
440 HE2 HIS 65 2HE HIS 65 0.153 -18.441 -6.793
441 H HIS 66 H HIS 66 -3.862 -18.124 0.058
442 HA HIS 66 HA HIS 66 -3.354 -17.264 2.383
443 1HB HIS 66 1HB HIS 66 -4.887 -19.843 2.090
444 2HB HIS 66 2HB HIS 66 -5.045 -18.663 3.393
445 HD1 HIS 66 1HD HIS 66 -5.454 -15.942 2.114
446 HD2 HIS 66 2HD HIS 66 -6.595 -19.464 0.060
447 HE1 HIS 66 1HE HIS 66 -7.077 -15.263 0.255
448 HE2 HIS 66 2HE HIS 66 -7.670 -17.248 -1.010
449 H HIS 67 H HIS 67 -1.324 -17.211 2.907
450 HA HIS 67 HA HIS 67 0.163 -19.466 3.995
451 1HB HIS 67 1HB HIS 67 1.752 -17.525 4.703
452 2HB HIS 67 2HB HIS 67 1.578 -17.914 2.999
453 HD1 HIS 67 1HD HIS 67 0.765 -14.921 5.436
454 HD2 HIS 67 2HD HIS 67 0.224 -16.198 1.409
455 HE1 HIS 67 1HE HIS 67 -0.296 -13.042 4.227
456 HE2 HIS 67 2HE HIS 67 -0.739 -13.882 1.794
457 H HIS 68 H HIS 68 -0.967 -20.278 5.754
458 HA HIS 68 HA HIS 68 -2.083 -18.675 7.863
459 1HB HIS 68 1HB HIS 68 -1.844 -20.910 9.185
460 2HB HIS 68 2HB HIS 68 -3.006 -20.743 7.888
461 HD1 HIS 68 1HD HIS 68 -2.820 -22.452 5.887
462 HD2 HIS 68 2HD HIS 68 0.462 -22.385 8.567
463 HE1 HIS 68 1HE HIS 68 -1.350 -24.485 5.300
464 HE2 HIS 68 2HE HIS 68 0.647 -24.437 6.938
465 H HIS 69 H HIS 69 -0.688 -17.141 8.312
466 HA HIS 69 HA HIS 69 1.060 -16.984 10.441
467 1HB HIS 69 1HB HIS 69 2.768 -18.088 9.019
468 2HB HIS 69 2HB HIS 69 2.265 -17.151 7.621
469 HD1 HIS 69 1HD HIS 69 4.095 -16.394 11.011
470 HD2 HIS 69 2HD HIS 69 3.657 -15.072 7.006
471 HE1 HIS 69 1HE HIS 69 5.699 -14.390 10.690
472 HE2 HIS 69 2HE HIS 69 5.399 -13.603 8.245
473 H HIS 70 H HIS 70 2.189 -14.455 9.316
474 HA HIS 70 HA HIS 70 -0.302 -12.878 9.067
475 1HB HIS 70 1HB HIS 70 1.663 -11.850 10.236
476 2HB HIS 70 2HB HIS 70 2.663 -12.143 8.803
477 HD1 HIS 70 1HD HIS 70 -0.166 -10.960 7.093
478 HD2 HIS 70 2HD HIS 70 2.901 -9.257 9.433
479 HE1 HIS 70 1HE HIS 70 0.031 -8.454 6.446
480 HE2 HIS 70 2HE HIS 70 1.961 -7.529 7.867
Start of MODEL 8
1 1H GLU 1 1H GLU 1 -4.257 1.123 3.045
2 2H GLU 1 2H GLU 1 -4.149 -0.515 3.243
3 3H GLU 1 H GLU 1 -3.068 0.497 4.020
4 HA GLU 1 HA GLU 1 -4.605 -0.330 5.556
5 1HB GLU 1 1HB GLU 1 -4.645 2.604 4.865
6 2HB GLU 1 2HB GLU 1 -5.837 2.018 6.016
7 1HG GLU 1 1HG GLU 1 -3.996 2.794 7.284
8 2HG GLU 1 2HG GLU 1 -4.056 1.040 7.427
9 H ALA 2 H ALA 2 -6.933 -0.466 6.282
10 HA ALA 2 HA ALA 2 -8.534 -1.424 4.083
11 1HB ALA 2 1HB ALA 2 -10.203 -1.877 5.824
12 2HB ALA 2 2HB ALA 2 -8.605 -2.462 6.323
13 3HB ALA 2 3HB ALA 2 -9.258 -0.945 7.001
14 H GLU 3 H GLU 3 -10.368 -0.574 3.221
15 HA GLU 3 HA GLU 3 -11.341 2.101 4.096
16 1HB GLU 3 1HB GLU 3 -10.590 1.281 1.277
17 2HB GLU 3 2HB GLU 3 -11.859 2.482 1.570
18 1HG GLU 3 1HG GLU 3 -10.329 3.892 2.850
19 2HG GLU 3 2HG GLU 3 -9.046 2.692 2.698
20 H ALA 4 H ALA 4 -12.013 -1.148 2.910
21 HA ALA 4 HA ALA 4 -14.900 -0.667 3.342
22 1HB ALA 4 1HB ALA 4 -13.646 -2.573 1.327
23 2HB ALA 4 2HB ALA 4 -15.378 -2.425 1.688
24 3HB ALA 4 3HB ALA 4 -14.515 -1.073 0.932
25 H GLU 5 H GLU 5 -15.939 -2.741 4.104
26 HA GLU 5 HA GLU 5 -14.948 -3.600 6.490
27 1HB GLU 5 1HB GLU 5 -16.732 -5.126 4.552
28 2HB GLU 5 2HB GLU 5 -16.555 -5.505 6.270
29 1HG GLU 5 1HG GLU 5 -17.521 -3.359 6.910
30 2HG GLU 5 2HG GLU 5 -17.583 -2.829 5.222
31 H PHE 6 H PHE 6 -14.517 -5.275 3.352
32 HA PHE 6 HA PHE 6 -12.065 -6.511 4.457
33 1HB PHE 6 1HB PHE 6 -13.943 -8.091 4.883
34 2HB PHE 6 2HB PHE 6 -14.368 -8.067 3.193
35 HD1 PHE 6 1HD PHE 6 -11.878 -9.211 5.683
36 HD2 PHE 6 2HD PHE 6 -13.275 -9.522 1.623
37 HE1 PHE 6 1HE PHE 6 -10.717 -11.391 5.456
38 HE2 PHE 6 2HE PHE 6 -12.124 -11.703 1.387
39 HZ PHE 6 HZ PHE 6 -10.887 -12.674 3.315
40 H THR 7 H THR 7 -11.143 -4.914 3.101
41 HA THR 7 HA THR 7 -9.999 -5.843 0.747
42 HB THR 7 HB THR 7 -12.309 -3.918 0.340
43 HG1 THR 7 1HG THR 7 -12.512 -6.124 -0.118
44 1HG2 THR 7 1HG2 THR 7 -10.422 -2.697 -0.648
45 2HG2 THR 7 2HG2 THR 7 -9.876 -4.171 -1.484
46 3HG2 THR 7 3HG2 THR 7 -11.419 -3.405 -1.921
47 H ASP 8 H ASP 8 -8.127 -4.540 0.441
48 HA ASP 8 HA ASP 8 -7.758 -2.360 2.428
49 1HB ASP 8 1HB ASP 8 -6.168 -4.279 2.662
50 2HB ASP 8 2HB ASP 8 -5.636 -3.993 1.004
51 H ALA 9 H ALA 9 -7.022 -0.442 1.607
52 HA ALA 9 HA ALA 9 -7.844 0.672 -0.787
53 1HB ALA 9 1HB ALA 9 -5.388 1.327 0.857
54 2HB ALA 9 2HB ALA 9 -6.347 2.403 -0.206
55 3HB ALA 9 3HB ALA 9 -7.052 1.790 1.292
56 H CYS 10 H CYS 10 -4.991 -1.344 -0.181
57 HA CYS 10 HA CYS 10 -3.329 -0.723 -2.272
58 1HB CYS 10 1HB CYS 10 -2.424 -2.835 -1.892
59 2HB CYS 10 2HB CYS 10 -3.261 -2.520 -0.408
60 H VAL 11 H VAL 11 -6.567 -2.126 -2.625
61 HA VAL 11 HA VAL 11 -6.196 -2.954 -5.400
62 HB VAL 11 HB VAL 11 -8.701 -2.517 -3.715
63 1HG1 VAL 11 1HG1 VAL 11 -8.359 -4.014 -6.356
64 2HG1 VAL 11 2HG1 VAL 11 -9.823 -4.024 -5.342
65 3HG1 VAL 11 3HG1 VAL 11 -9.294 -2.526 -6.102
66 1HG2 VAL 11 1HG2 VAL 11 -7.286 -4.275 -2.738
67 2HG2 VAL 11 2HG2 VAL 11 -8.685 -5.010 -3.513
68 3HG2 VAL 11 3HG2 VAL 11 -7.105 -5.052 -4.327
69 H LEU 12 H LEU 12 -6.913 0.054 -3.831
70 HA LEU 12 HA LEU 12 -8.202 1.444 -6.049
71 1HB LEU 12 1HB LEU 12 -9.171 2.043 -4.069
72 2HB LEU 12 2HB LEU 12 -7.762 1.813 -3.106
73 HG LEU 12 HG LEU 12 -7.121 4.123 -4.518
74 1HD1 LEU 12 1HD1 LEU 12 -10.052 4.327 -3.664
75 2HD1 LEU 12 2HD1 LEU 12 -9.065 5.581 -4.437
76 3HD1 LEU 12 3HD1 LEU 12 -9.600 4.157 -5.362
77 1HD2 LEU 12 1HD2 LEU 12 -6.754 3.678 -2.183
78 2HD2 LEU 12 2HD2 LEU 12 -7.597 5.212 -2.429
79 3HD2 LEU 12 3HD2 LEU 12 -8.490 3.787 -1.855
80 HA PRO 13 HA PRO 13 -4.193 2.750 -7.429
81 1HB PRO 13 1HB PRO 13 -4.697 5.290 -8.474
82 2HB PRO 13 2HB PRO 13 -5.023 3.741 -9.283
83 1HG PRO 13 1HG PRO 13 -6.920 5.595 -7.885
84 2HG PRO 13 2HG PRO 13 -7.236 4.519 -9.278
85 1HD PRO 13 1HD PRO 13 -7.903 4.056 -6.598
86 2HD PRO 13 2HD PRO 13 -7.876 2.780 -7.815
87 H ALA 14 H ALA 14 -2.664 4.736 -7.294
88 HA ALA 14 HA ALA 14 -2.346 5.411 -4.450
89 1HB ALA 14 1HB ALA 14 -0.319 6.502 -5.167
90 2HB ALA 14 2HB ALA 14 -0.414 4.959 -6.036
91 3HB ALA 14 3HB ALA 14 -0.810 6.473 -6.874
92 H VAL 15 H VAL 15 -3.692 7.016 -3.612
93 HA VAL 15 HA VAL 15 -4.639 9.157 -5.417
94 HB VAL 15 HB VAL 15 -5.248 8.788 -2.507
95 1HG1 VAL 15 1HG1 VAL 15 -7.218 10.224 -2.990
96 2HG1 VAL 15 2HG1 VAL 15 -5.687 11.055 -3.215
97 3HG1 VAL 15 3HG1 VAL 15 -6.604 10.478 -4.635
98 1HG2 VAL 15 1HG2 VAL 15 -6.142 6.818 -3.672
99 2HG2 VAL 15 2HG2 VAL 15 -7.497 7.911 -3.380
100 3HG2 VAL 15 3HG2 VAL 15 -6.775 7.843 -4.985
101 H GLN 16 H GLN 16 -3.710 10.927 -5.494
102 HA GLN 16 HA GLN 16 -1.219 11.510 -4.014
103 1HB GLN 16 1HB GLN 16 -2.545 13.164 -6.202
104 2HB GLN 16 2HB GLN 16 -0.929 13.388 -5.521
105 1HG GLN 16 1HG GLN 16 -0.440 10.959 -6.294
106 2HG GLN 16 2HG GLN 16 -1.929 11.076 -7.233
107 1HE2 GLN 16 1HE2 GLN 16 1.241 12.657 -6.699
108 2HE2 GLN 16 2HE2 GLN 16 1.327 13.377 -8.320
109 H GLY 17 H GLY 17 -4.520 12.787 -4.234
110 1HA GLY 17 1HA GLY 17 -5.658 13.844 -2.475
111 2HA GLY 17 2HA GLY 17 -4.113 14.390 -1.777
112 HA PRO 18 HA PRO 18 -5.892 17.572 -4.776
113 1HB PRO 18 1HB PRO 18 -7.077 19.430 -3.180
114 2HB PRO 18 2HB PRO 18 -7.864 17.874 -3.575
115 1HG PRO 18 1HG PRO 18 -6.295 18.583 -1.076
116 2HG PRO 18 2HG PRO 18 -7.905 17.811 -1.183
117 1HD PRO 18 1HD PRO 18 -5.579 16.375 -0.887
118 2HD PRO 18 2HD PRO 18 -6.985 15.741 -1.789
119 H CYS 19 H CYS 19 -3.550 17.734 -2.271
120 HA CYS 19 HA CYS 19 -2.966 20.558 -2.513
121 1HB CYS 19 1HB CYS 19 -1.669 18.310 -0.996
122 2HB CYS 19 2HB CYS 19 -0.952 19.901 -1.031
123 H ARG 20 H ARG 20 -0.441 20.962 -2.551
124 HA ARG 20 HA ARG 20 0.587 20.065 -5.183
125 1HB ARG 20 1HB ARG 20 -0.101 22.898 -4.380
126 2HB ARG 20 2HB ARG 20 1.190 22.551 -5.514
127 1HG ARG 20 1HG ARG 20 -0.257 22.312 -7.187
128 2HG ARG 20 2HG ARG 20 -1.033 20.957 -6.401
129 1HD ARG 20 1HD ARG 20 -1.745 23.874 -5.940
130 2HD ARG 20 2HD ARG 20 -2.546 22.809 -7.093
131 HE ARG 20 HE ARG 20 -3.234 21.355 -5.215
132 1HH1 ARG 20 2HH2 ARG 20 -2.578 24.775 -4.490
133 2HH1 ARG 20 1HH2 ARG 20 -3.762 24.878 -3.234
134 1HH2 ARG 20 2HH1 ARG 20 -4.802 21.506 -3.644
135 2HH2 ARG 20 1HH1 ARG 20 -5.068 22.926 -2.689
136 H GLY 21 H GLY 21 1.249 19.912 -2.249
137 1HA GLY 21 1HA GLY 21 4.125 20.751 -2.242
138 2HA GLY 21 2HA GLY 21 3.192 20.212 -0.795
139 H TRP 22 H TRP 22 5.579 18.577 -1.807
140 HA TRP 22 HA TRP 22 4.101 16.252 -2.854
141 1HB TRP 22 1HB TRP 22 6.712 17.354 -3.932
142 2HB TRP 22 2HB TRP 22 5.943 15.877 -4.454
143 HD1 TRP 22 HD TRP 22 6.541 19.006 -5.775
144 HE1 TRP 22 1HE TRP 22 4.720 20.032 -7.247
145 HE3 TRP 22 3HE TRP 22 2.592 15.999 -4.457
146 HZ2 TRP 22 2HZ TRP 22 1.914 19.606 -7.808
147 HZ3 TRP 22 3HZ TRP 22 0.376 16.331 -5.489
148 HH2 TRP 22 HH TRP 22 0.019 18.119 -7.157
149 H GLU 23 H GLU 23 4.322 14.787 -1.541
150 HA GLU 23 HA GLU 23 6.630 14.394 0.297
151 1HB GLU 23 1HB GLU 23 4.683 15.293 1.395
152 2HB GLU 23 2HB GLU 23 3.603 14.182 0.565
153 1HG GLU 23 1HG GLU 23 3.734 13.489 2.791
154 2HG GLU 23 2HG GLU 23 4.538 12.287 1.798
155 HA PRO 24 HA PRO 24 6.577 10.518 -2.249
156 1HB PRO 24 1HB PRO 24 8.818 9.332 -1.235
157 2HB PRO 24 2HB PRO 24 8.859 10.675 -2.419
158 1HG PRO 24 1HG PRO 24 9.161 10.839 0.595
159 2HG PRO 24 2HG PRO 24 10.186 11.601 -0.664
160 1HD PRO 24 1HD PRO 24 8.212 12.961 0.596
161 2HD PRO 24 2HD PRO 24 8.536 13.235 -1.139
162 H ARG 25 H ARG 25 5.284 8.916 -1.861
163 HA ARG 25 HA ARG 25 5.392 7.461 0.724
164 1HB ARG 25 1HB ARG 25 2.883 8.540 -0.641
165 2HB ARG 25 2HB ARG 25 2.813 7.244 0.553
166 1HG ARG 25 1HG ARG 25 3.975 10.011 1.099
167 2HG ARG 25 2HG ARG 25 2.354 9.469 1.523
168 1HD ARG 25 1HD ARG 25 3.272 7.656 2.890
169 2HD ARG 25 2HD ARG 25 4.920 8.176 2.557
170 HE ARG 25 HE ARG 25 2.965 9.496 4.289
171 1HH1 ARG 25 2HH2 ARG 25 6.116 9.869 2.566
172 2HH1 ARG 25 1HH2 ARG 25 6.532 11.276 3.423
173 1HH2 ARG 25 2HH1 ARG 25 3.699 11.357 5.552
174 2HH2 ARG 25 1HH1 ARG 25 5.142 12.148 5.033
175 H TRP 26 H TRP 26 3.837 5.381 0.387
176 HA TRP 26 HA TRP 26 4.847 4.119 -2.140
177 1HB TRP 26 1HB TRP 26 4.686 3.195 0.749
178 2HB TRP 26 2HB TRP 26 4.718 2.040 -0.578
179 HD1 TRP 26 HD TRP 26 6.913 4.711 1.108
180 HE1 TRP 26 1HE TRP 26 9.353 4.351 0.424
181 HE3 TRP 26 3HE TRP 26 6.217 0.929 -2.209
182 HZ2 TRP 26 2HZ TRP 26 10.833 2.577 -1.394
183 HZ3 TRP 26 3HZ TRP 26 8.098 0.116 -3.629
184 HH2 TRP 26 HH TRP 26 10.396 0.772 -3.090
185 H ALA 27 H ALA 27 3.308 2.861 -3.322
186 HA ALA 27 HA ALA 27 0.686 2.411 -2.035
187 1HB ALA 27 1HB ALA 27 0.150 4.339 -3.374
188 2HB ALA 27 2HB ALA 27 1.000 3.640 -4.794
189 3HB ALA 27 3HB ALA 27 -0.484 2.913 -4.175
190 H TYR 28 H TYR 28 -0.337 0.586 -2.810
191 HA TYR 28 HA TYR 28 1.437 -1.418 -4.083
192 1HB TYR 28 1HB TYR 28 -0.153 -1.922 -2.136
193 2HB TYR 28 2HB TYR 28 -1.458 -1.626 -3.262
194 HD1 TYR 28 1HD TYR 28 -2.328 -3.429 -4.603
195 HD2 TYR 28 2HD TYR 28 1.504 -3.881 -2.702
196 HE1 TYR 28 1HE TYR 28 -2.383 -5.827 -5.081
197 HE2 TYR 28 2HE TYR 28 1.535 -6.251 -3.285
198 HH TYR 28 HH TYR 28 0.237 -8.026 -3.908
199 H SER 29 H SER 29 0.998 -2.330 -6.073
200 HA SER 29 HA SER 29 -1.148 -1.164 -7.761
201 1HB SER 29 1HB SER 29 1.774 -1.736 -8.279
202 2HB SER 29 2HB SER 29 0.700 -1.566 -9.626
203 HG SER 29 HG SER 29 0.339 0.237 -7.568
204 HA PRO 30 HA PRO 30 -1.907 -5.606 -7.300
205 1HB PRO 30 1HB PRO 30 -4.419 -5.693 -8.464
206 2HB PRO 30 2HB PRO 30 -4.101 -5.261 -6.756
207 1HG PRO 30 1HG PRO 30 -4.644 -3.436 -9.088
208 2HG PRO 30 2HG PRO 30 -5.184 -3.299 -7.382
209 1HD PRO 30 1HD PRO 30 -3.076 -1.876 -8.439
210 2HD PRO 30 2HD PRO 30 -3.172 -2.337 -6.719
211 H LEU 31 H LEU 31 -2.362 -3.696 -10.270
212 HA LEU 31 HA LEU 31 -2.091 -5.828 -12.124
213 1HB LEU 31 1HB LEU 31 -1.680 -2.857 -12.281
214 2HB LEU 31 2HB LEU 31 -1.311 -3.899 -13.652
215 HG LEU 31 HG LEU 31 -4.010 -4.013 -12.250
216 1HD1 LEU 31 1HD1 LEU 31 -4.855 -2.556 -14.023
217 2HD1 LEU 31 2HD1 LEU 31 -3.617 -1.736 -13.054
218 3HD1 LEU 31 3HD1 LEU 31 -3.204 -2.367 -14.671
219 1HD2 LEU 31 1HD2 LEU 31 -4.777 -4.958 -14.418
220 2HD2 LEU 31 2HD2 LEU 31 -3.115 -4.892 -15.042
221 3HD2 LEU 31 3HD2 LEU 31 -3.530 -5.972 -13.698
222 H LEU 32 H LEU 32 0.283 -4.384 -10.024
223 HA LEU 32 HA LEU 32 2.496 -5.699 -11.534
224 1HB LEU 32 1HB LEU 32 2.281 -3.378 -9.618
225 2HB LEU 32 2HB LEU 32 3.814 -4.162 -9.825
226 HG LEU 32 HG LEU 32 2.256 -3.013 -12.171
227 1HD1 LEU 32 1HD1 LEU 32 2.825 -1.195 -10.622
228 2HD1 LEU 32 2HD1 LEU 32 4.517 -1.748 -10.560
229 3HD1 LEU 32 3HD1 LEU 32 3.832 -1.103 -12.068
230 1HD2 LEU 32 1HD2 LEU 32 4.461 -3.094 -13.320
231 2HD2 LEU 32 2HD2 LEU 32 5.178 -3.868 -11.888
232 3HD2 LEU 32 3HD2 LEU 32 3.929 -4.701 -12.836
233 H GLN 33 H GLN 33 0.325 -6.149 -9.101
234 HA GLN 33 HA GLN 33 0.099 -7.114 -7.112
235 1HB GLN 33 1HB GLN 33 0.397 -8.932 -8.859
236 2HB GLN 33 2HB GLN 33 2.011 -9.203 -8.244
237 1HG GLN 33 1HG GLN 33 -0.441 -9.323 -6.436
238 2HG GLN 33 2HG GLN 33 -0.078 -10.641 -7.517
239 1HE2 GLN 33 1HE2 GLN 33 2.963 -9.778 -6.563
240 2HE2 GLN 33 2HE2 GLN 33 3.108 -10.902 -5.235
241 H GLN 34 H GLN 34 1.939 -4.973 -7.031
242 HA GLN 34 HA GLN 34 3.605 -5.669 -4.761
243 1HB GLN 34 1HB GLN 34 4.854 -6.568 -6.857
244 2HB GLN 34 2HB GLN 34 5.017 -4.874 -7.330
245 1HG GLN 34 1HG GLN 34 7.011 -6.077 -6.261
246 2HG GLN 34 2HG GLN 34 6.626 -4.435 -5.777
247 1HE2 GLN 34 1HE2 GLN 34 6.419 -7.895 -4.630
248 2HE2 GLN 34 2HE2 GLN 34 6.424 -7.388 -2.946
249 H CYS 35 H CYS 35 5.064 -3.775 -4.268
250 HA CYS 35 HA CYS 35 3.438 -1.308 -4.401
251 1HB CYS 35 1HB CYS 35 5.721 -2.123 -2.596
252 2HB CYS 35 2HB CYS 35 4.732 -0.677 -2.407
253 H HIS 36 H HIS 36 4.238 0.626 -4.874
254 HA HIS 36 HA HIS 36 7.098 0.928 -5.604
255 1HB HIS 36 1HB HIS 36 6.648 2.030 -7.707
256 2HB HIS 36 2HB HIS 36 5.973 0.410 -7.727
257 HD1 HIS 36 1HD HIS 36 4.740 4.086 -7.263
258 HD2 HIS 36 2HD HIS 36 3.329 0.231 -8.456
259 HE1 HIS 36 1HE HIS 36 2.351 4.374 -8.127
260 HE2 HIS 36 2HE HIS 36 1.554 1.975 -8.822
261 HA PRO 37 HA PRO 37 6.572 4.816 -3.457
262 1HB PRO 37 1HB PRO 37 8.391 6.089 -5.476
263 2HB PRO 37 2HB PRO 37 8.538 6.053 -3.695
264 1HG PRO 37 1HG PRO 37 10.121 4.509 -5.305
265 2HG PRO 37 2HG PRO 37 9.504 3.908 -3.736
266 1HD PRO 37 1HD PRO 37 8.454 3.322 -6.510
267 2HD PRO 37 2HD PRO 37 8.687 2.225 -5.128
268 H PHE 38 H PHE 38 5.693 7.159 -3.898
269 HA PHE 38 HA PHE 38 5.049 7.870 -6.583
270 1HB PHE 38 1HB PHE 38 2.728 7.805 -6.555
271 2HB PHE 38 2HB PHE 38 3.164 6.226 -5.956
272 HD1 PHE 38 1HD PHE 38 1.302 9.258 -5.342
273 HD2 PHE 38 2HD PHE 38 3.007 5.816 -3.361
274 HE1 PHE 38 1HE PHE 38 -0.309 9.507 -3.514
275 HE2 PHE 38 2HE PHE 38 1.330 6.082 -1.542
276 HZ PHE 38 HZ PHE 38 -0.337 7.897 -1.627
277 H VAL 39 H VAL 39 3.771 10.060 -6.427
278 HA VAL 39 HA VAL 39 4.910 11.602 -4.157
279 HB VAL 39 HB VAL 39 4.050 12.308 -6.988
280 1HG1 VAL 39 1HG1 VAL 39 3.147 14.098 -5.701
281 2HG1 VAL 39 2HG1 VAL 39 4.565 14.159 -4.640
282 3HG1 VAL 39 3HG1 VAL 39 4.679 14.689 -6.341
283 1HG2 VAL 39 1HG2 VAL 39 6.355 13.175 -7.138
284 2HG2 VAL 39 2HG2 VAL 39 6.659 12.715 -5.452
285 3HG2 VAL 39 3HG2 VAL 39 6.371 11.464 -6.683
286 H TYR 40 H TYR 40 3.549 11.896 -2.548
287 HA TYR 40 HA TYR 40 0.617 12.026 -2.955
288 1HB TYR 40 1HB TYR 40 1.086 10.292 -1.444
289 2HB TYR 40 2HB TYR 40 2.474 11.092 -0.768
290 HD1 TYR 40 1HD TYR 40 2.349 11.958 1.320
291 HD2 TYR 40 2HD TYR 40 -1.286 11.586 -0.981
292 HE1 TYR 40 1HE TYR 40 1.050 12.683 3.284
293 HE2 TYR 40 2HE TYR 40 -2.586 12.420 0.952
294 HH TYR 40 HH TYR 40 -2.384 13.478 3.028
295 H GLY 41 H GLY 41 -0.367 13.860 -1.629
296 1HA GLY 41 1HA GLY 41 1.361 16.198 -1.953
297 2HA GLY 41 2HA GLY 41 -0.362 16.197 -1.980
298 H GLY 42 H GLY 42 0.601 14.418 0.745
299 1HA GLY 42 1HA GLY 42 1.022 14.880 2.936
300 2HA GLY 42 2HA GLY 42 1.516 16.512 2.488
301 H CYS 43 H CYS 43 -1.601 16.058 1.376
302 HA CYS 43 HA CYS 43 -2.976 16.745 3.872
303 1HB CYS 43 1HB CYS 43 -4.164 18.486 2.978
304 2HB CYS 43 2HB CYS 43 -2.523 18.765 2.466
305 H GLU 44 H GLU 44 -5.571 16.666 2.869
306 HA GLU 44 HA GLU 44 -6.461 14.223 3.347
307 1HB GLU 44 1HB GLU 44 -7.612 15.798 1.041
308 2HB GLU 44 2HB GLU 44 -8.408 14.603 2.060
309 1HG GLU 44 1HG GLU 44 -9.161 16.526 3.008
310 2HG GLU 44 2HG GLU 44 -7.792 16.191 4.048
311 H GLY 45 H GLY 45 -6.550 12.137 2.439
312 1HA GLY 45 1HA GLY 45 -6.198 11.566 -0.344
313 2HA GLY 45 2HA GLY 45 -4.757 11.220 0.622
314 H ASN 46 H ASN 46 -5.953 9.055 -0.470
315 HA ASN 46 HA ASN 46 -7.822 7.874 1.499
316 1HB ASN 46 1HB ASN 46 -6.762 6.813 -1.135
317 2HB ASN 46 2HB ASN 46 -7.869 5.985 -0.127
318 1HD2 ASN 46 1HD2 ASN 46 -9.780 5.743 -1.068
319 2HD2 ASN 46 2HD2 ASN 46 -10.661 7.112 -1.712
320 H GLY 47 H GLY 47 -7.189 5.274 1.307
321 1HA GLY 47 1HA GLY 47 -5.091 5.055 3.332
322 2HA GLY 47 2HA GLY 47 -6.304 3.852 2.866
323 H ASN 48 H ASN 48 -5.160 4.675 -0.103
324 HA ASN 48 HA ASN 48 -3.075 2.554 -0.010
325 1HB ASN 48 1HB ASN 48 -4.702 2.536 -1.902
326 2HB ASN 48 2HB ASN 48 -3.953 3.955 -2.573
327 1HD2 ASN 48 1HD2 ASN 48 -3.730 1.817 -4.231
328 2HD2 ASN 48 2HD2 ASN 48 -2.219 0.967 -4.134
329 H ASN 49 H ASN 49 -2.307 4.291 1.560
330 HA ASN 49 HA ASN 49 -0.065 5.730 0.286
331 1HB ASN 49 1HB ASN 49 -1.848 7.390 0.873
332 2HB ASN 49 2HB ASN 49 -1.925 6.747 2.507
333 1HD2 ASN 49 1HD2 ASN 49 -1.210 9.453 1.347
334 2HD2 ASN 49 2HD2 ASN 49 0.289 9.882 2.102
335 H PHE 50 H PHE 50 1.444 4.348 0.961
336 HA PHE 50 HA PHE 50 1.321 3.206 3.682
337 1HB PHE 50 1HB PHE 50 2.803 2.257 1.218
338 2HB PHE 50 2HB PHE 50 3.022 1.571 2.770
339 HD1 PHE 50 1HD PHE 50 0.985 1.445 -0.175
340 HD2 PHE 50 2HD PHE 50 0.843 0.753 4.081
341 HE1 PHE 50 1HE PHE 50 -1.007 -0.021 -0.463
342 HE2 PHE 50 2HE PHE 50 -1.145 -0.636 3.784
343 HZ PHE 50 HZ PHE 50 -2.087 -1.047 1.510
344 H HIS 51 H HIS 51 3.234 3.105 4.781
345 HA HIS 51 HA HIS 51 4.530 5.715 4.726
346 1HB HIS 51 1HB HIS 51 4.777 3.558 6.805
347 2HB HIS 51 2HB HIS 51 4.967 5.282 6.972
348 HD1 HIS 51 1HD HIS 51 2.236 6.527 6.078
349 HD2 HIS 51 2HD HIS 51 2.590 2.490 7.135
350 HE1 HIS 51 1HE HIS 51 -0.155 5.552 6.124
351 HE2 HIS 51 2HE HIS 51 0.008 3.171 6.873
352 H SER 52 H SER 52 5.203 2.554 3.838
353 HA SER 52 HA SER 52 7.995 3.052 3.138
354 1HB SER 52 1HB SER 52 8.742 1.068 4.623
355 2HB SER 52 2HB SER 52 8.402 2.584 5.448
356 HG SER 52 HG SER 52 7.408 0.709 6.481
357 H ARG 53 H ARG 53 8.944 1.032 2.297
358 HA ARG 53 HA ARG 53 7.230 -0.344 0.377
359 1HB ARG 53 1HB ARG 53 9.588 0.064 -0.069
360 2HB ARG 53 2HB ARG 53 10.055 -0.869 1.351
361 1HG ARG 53 1HG ARG 53 10.343 -2.115 -0.667
362 2HG ARG 53 2HG ARG 53 9.180 -2.916 0.378
363 1HD ARG 53 1HD ARG 53 7.379 -1.886 -1.152
364 2HD ARG 53 2HD ARG 53 8.671 -1.404 -2.218
365 HE ARG 53 HE ARG 53 8.329 -4.231 -1.313
366 1HH1 ARG 53 2HH2 ARG 53 8.239 -2.289 -4.265
367 2HH1 ARG 53 1HH2 ARG 53 9.142 -3.436 -5.179
368 1HH2 ARG 53 2HH1 ARG 53 9.098 -5.743 -2.450
369 2HH2 ARG 53 1HH1 ARG 53 9.561 -5.648 -4.132
370 H GLU 54 H GLU 54 8.711 -1.088 3.472
371 HA GLU 54 HA GLU 54 7.988 -3.701 4.034
372 1HB GLU 54 1HB GLU 54 9.542 -2.606 5.323
373 2HB GLU 54 2HB GLU 54 8.693 -1.132 5.434
374 1HG GLU 54 1HG GLU 54 7.573 -3.500 6.943
375 2HG GLU 54 2HG GLU 54 9.079 -2.773 7.516
376 H SER 55 H SER 55 6.345 -0.926 5.433
377 HA SER 55 HA SER 55 4.136 -2.304 6.286
378 1HB SER 55 1HB SER 55 2.822 -0.150 6.292
379 2HB SER 55 2HB SER 55 4.372 -0.132 7.131
380 HG SER 55 HG SER 55 5.289 0.980 5.505
381 H CYS 56 H CYS 56 4.502 -0.969 3.057
382 HA CYS 56 HA CYS 56 1.846 -1.591 2.159
383 1HB CYS 56 1HB CYS 56 3.691 -0.033 1.089
384 2HB CYS 56 2HB CYS 56 4.506 -1.464 0.598
385 H GLU 57 H GLU 57 4.914 -3.318 1.735
386 HA GLU 57 HA GLU 57 3.638 -5.538 0.400
387 1HB GLU 57 1HB GLU 57 6.328 -5.300 1.812
388 2HB GLU 57 2HB GLU 57 5.698 -6.857 1.253
389 1HG GLU 57 1HG GLU 57 5.253 -5.631 -1.012
390 2HG GLU 57 2HG GLU 57 6.414 -4.444 -0.415
391 H ASP 58 H ASP 58 4.023 -4.750 3.876
392 HA ASP 58 HA ASP 58 3.061 -7.395 4.571
393 1HB ASP 58 1HB ASP 58 4.476 -5.920 6.089
394 2HB ASP 58 2HB ASP 58 2.968 -5.052 6.458
395 H ALA 59 H ALA 59 1.441 -4.254 3.784
396 HA ALA 59 HA ALA 59 -1.115 -5.138 4.776
397 1HB ALA 59 1HB ALA 59 -0.577 -2.782 4.464
398 2HB ALA 59 2HB ALA 59 -0.366 -3.028 2.716
399 3HB ALA 59 3HB ALA 59 -1.966 -3.241 3.459
400 H CYS 60 H CYS 60 0.199 -4.849 1.414
401 HA CYS 60 HA CYS 60 -1.569 -7.095 0.611
402 1HB CYS 60 1HB CYS 60 -1.140 -4.523 -0.809
403 2HB CYS 60 2HB CYS 60 -1.561 -6.016 -1.662
404 HA PRO 61 HA PRO 61 2.702 -8.368 -0.075
405 1HB PRO 61 1HB PRO 61 2.524 -10.851 1.038
406 2HB PRO 61 2HB PRO 61 2.163 -9.447 2.041
407 1HG PRO 61 1HG PRO 61 0.118 -11.104 0.533
408 2HG PRO 61 2HG PRO 61 0.195 -10.765 2.294
409 1HD PRO 61 1HD PRO 61 -1.241 -9.207 0.595
410 2HD PRO 61 2HD PRO 61 -0.353 -8.525 1.999
411 H VAL 62 H VAL 62 3.265 -10.725 -0.564
412 HA VAL 62 HA VAL 62 2.627 -11.963 -3.184
413 HB VAL 62 HB VAL 62 5.204 -12.076 -1.581
414 1HG1 VAL 62 1HG1 VAL 62 6.191 -12.689 -3.762
415 2HG1 VAL 62 2HG1 VAL 62 4.834 -13.755 -3.416
416 3HG1 VAL 62 3HG1 VAL 62 4.635 -12.428 -4.569
417 1HG2 VAL 62 1HG2 VAL 62 6.229 -10.383 -3.135
418 2HG2 VAL 62 2HG2 VAL 62 4.595 -9.974 -3.713
419 3HG2 VAL 62 3HG2 VAL 62 5.063 -9.684 -2.026
420 H VAL 63 H VAL 63 3.937 -14.219 -1.988
421 HA VAL 63 HA VAL 63 1.798 -15.440 -0.513
422 HB VAL 63 HB VAL 63 4.559 -16.056 0.455
423 1HG1 VAL 63 1HG1 VAL 63 2.171 -17.827 -0.155
424 2HG1 VAL 63 2HG1 VAL 63 3.705 -18.349 0.571
425 3HG1 VAL 63 3HG1 VAL 63 2.663 -17.227 1.449
426 1HG2 VAL 63 1HG2 VAL 63 4.969 -16.012 -1.969
427 2HG2 VAL 63 2HG2 VAL 63 4.898 -17.686 -1.434
428 3HG2 VAL 63 3HG2 VAL 63 3.497 -16.975 -2.263
429 H ASP 64 H ASP 64 1.134 -15.174 1.630
430 HA ASP 64 HA ASP 64 1.830 -12.566 2.722
431 1HB ASP 64 1HB ASP 64 -0.506 -13.204 2.806
432 2HB ASP 64 2HB ASP 64 -0.124 -14.580 3.863
433 H HIS 65 H HIS 65 2.907 -11.991 4.435
434 HA HIS 65 HA HIS 65 4.981 -13.631 5.452
435 1HB HIS 65 1HB HIS 65 4.060 -11.019 6.701
436 2HB HIS 65 2HB HIS 65 5.686 -11.656 6.592
437 HD1 HIS 65 1HD HIS 65 6.962 -11.169 4.171
438 HD2 HIS 65 2HD HIS 65 3.078 -9.606 4.724
439 HE1 HIS 65 1HE HIS 65 6.589 -9.395 2.313
440 HE2 HIS 65 2HE HIS 65 4.198 -8.460 2.695
441 H HIS 66 H HIS 66 1.781 -13.812 6.386
442 HA HIS 66 HA HIS 66 2.471 -14.802 9.047
443 1HB HIS 66 1HB HIS 66 0.116 -13.317 9.611
444 2HB HIS 66 2HB HIS 66 1.709 -13.179 10.283
445 HD1 HIS 66 1HD HIS 66 0.491 -11.753 6.767
446 HD2 HIS 66 2HD HIS 66 2.299 -10.670 10.476
447 HE1 HIS 66 1HE HIS 66 1.155 -9.305 6.629
448 HE2 HIS 66 2HE HIS 66 2.168 -8.615 8.732
449 H HIS 67 H HIS 67 -0.602 -14.006 7.507
450 HA HIS 67 HA HIS 67 -1.422 -16.044 6.220
451 1HB HIS 67 1HB HIS 67 -2.769 -17.625 7.520
452 2HB HIS 67 2HB HIS 67 -1.067 -17.791 7.795
453 HD1 HIS 67 1HD HIS 67 -4.164 -16.332 9.524
454 HD2 HIS 67 2HD HIS 67 -0.264 -17.743 10.296
455 HE1 HIS 67 1HE HIS 67 -3.955 -16.546 12.125
456 HE2 HIS 67 2HE HIS 67 -1.554 -17.401 12.566
457 H HIS 68 H HIS 68 -1.990 -13.327 6.318
458 HA HIS 68 HA HIS 68 -4.840 -13.151 7.163
459 1HB HIS 68 1HB HIS 68 -4.754 -10.803 6.823
460 2HB HIS 68 2HB HIS 68 -3.449 -11.279 7.879
461 HD1 HIS 68 1HD HIS 68 -3.577 -10.708 3.955
462 HD2 HIS 68 2HD HIS 68 -1.675 -9.405 7.513
463 HE1 HIS 68 1HE HIS 68 -1.948 -8.907 3.309
464 HE2 HIS 68 2HE HIS 68 -0.755 -8.122 5.384
465 H HIS 69 H HIS 69 -6.383 -12.316 5.497
466 HA HIS 69 HA HIS 69 -6.337 -13.814 3.077
467 1HB HIS 69 1HB HIS 69 -8.460 -13.050 3.866
468 2HB HIS 69 2HB HIS 69 -7.897 -11.391 4.057
469 HD1 HIS 69 1HD HIS 69 -8.815 -9.789 2.220
470 HD2 HIS 69 2HD HIS 69 -8.224 -13.787 0.912
471 HE1 HIS 69 1HE HIS 69 -9.167 -9.829 -0.326
472 HE2 HIS 69 2HE HIS 69 -8.650 -12.233 -1.066
473 H HIS 70 H HIS 70 -5.960 -13.118 0.825
474 HA HIS 70 HA HIS 70 -4.590 -10.626 0.340
475 1HB HIS 70 1HB HIS 70 -2.737 -12.317 0.519
476 2HB HIS 70 2HB HIS 70 -3.623 -13.380 -0.590
477 HD1 HIS 70 1HD HIS 70 -4.333 -10.492 -2.367
478 HD2 HIS 70 2HD HIS 70 -0.733 -12.517 -1.451
479 HE1 HIS 70 1HE HIS 70 -2.533 -9.703 -4.103
480 HE2 HIS 70 2HE HIS 70 -0.372 -10.974 -3.528
Start of MODEL 9
1 1H GLU 1 1H GLU 1 -2.037 -11.689 0.905
2 2H GLU 1 2H GLU 1 -1.070 -12.284 -0.312
3 3H GLU 1 H GLU 1 -2.697 -12.581 -0.292
4 HA GLU 1 HA GLU 1 -1.469 -9.918 -0.546
5 1HB GLU 1 1HB GLU 1 -2.802 -11.657 -2.675
6 2HB GLU 1 2HB GLU 1 -2.355 -9.972 -2.877
7 1HG GLU 1 1HG GLU 1 -0.675 -11.001 -3.978
8 2HG GLU 1 2HG GLU 1 0.073 -10.687 -2.430
9 H ALA 2 H ALA 2 -3.497 -8.526 -1.785
10 HA ALA 2 HA ALA 2 -6.064 -8.999 -0.453
11 1HB ALA 2 1HB ALA 2 -6.909 -7.462 -2.213
12 2HB ALA 2 2HB ALA 2 -5.601 -6.744 -1.262
13 3HB ALA 2 3HB ALA 2 -5.273 -7.360 -2.905
14 H GLU 3 H GLU 3 -7.461 -10.600 -1.159
15 HA GLU 3 HA GLU 3 -6.860 -11.895 -3.784
16 1HB GLU 3 1HB GLU 3 -7.161 -13.246 -1.072
17 2HB GLU 3 2HB GLU 3 -7.106 -14.108 -2.620
18 1HG GLU 3 1HG GLU 3 -4.894 -13.046 -3.100
19 2HG GLU 3 2HG GLU 3 -4.930 -12.281 -1.535
20 H ALA 4 H ALA 4 -9.513 -10.940 -1.678
21 HA ALA 4 HA ALA 4 -11.357 -12.619 -3.304
22 1HB ALA 4 1HB ALA 4 -12.764 -12.827 -1.314
23 2HB ALA 4 2HB ALA 4 -11.138 -13.422 -0.961
24 3HB ALA 4 3HB ALA 4 -11.639 -11.817 -0.379
25 H GLU 5 H GLU 5 -13.760 -11.595 -2.747
26 HA GLU 5 HA GLU 5 -13.982 -9.145 -4.115
27 1HB GLU 5 1HB GLU 5 -15.915 -10.493 -2.157
28 2HB GLU 5 2HB GLU 5 -16.295 -9.144 -3.214
29 1HG GLU 5 1HG GLU 5 -17.172 -10.883 -4.403
30 2HG GLU 5 2HG GLU 5 -15.612 -10.662 -5.187
31 H PHE 6 H PHE 6 -13.268 -9.797 -0.766
32 HA PHE 6 HA PHE 6 -14.015 -7.220 0.321
33 1HB PHE 6 1HB PHE 6 -13.657 -9.214 1.763
34 2HB PHE 6 2HB PHE 6 -11.949 -9.218 1.335
35 HD1 PHE 6 1HD PHE 6 -14.619 -7.451 3.210
36 HD2 PHE 6 2HD PHE 6 -10.413 -7.464 2.223
37 HE1 PHE 6 1HE PHE 6 -14.191 -5.752 4.965
38 HE2 PHE 6 2HE PHE 6 -10.002 -5.762 3.968
39 HZ PHE 6 HZ PHE 6 -11.884 -4.898 5.338
40 H THR 7 H THR 7 -13.306 -5.658 -1.019
41 HA THR 7 HA THR 7 -10.646 -5.666 -2.158
42 HB THR 7 HB THR 7 -12.881 -3.591 -2.205
43 HG1 THR 7 1HG THR 7 -13.271 -5.751 -3.150
44 1HG2 THR 7 1HG2 THR 7 -10.419 -3.940 -3.965
45 2HG2 THR 7 2HG2 THR 7 -11.687 -2.715 -4.194
46 3HG2 THR 7 3HG2 THR 7 -10.631 -2.643 -2.775
47 H ASP 8 H ASP 8 -9.204 -5.575 -0.430
48 HA ASP 8 HA ASP 8 -9.346 -3.571 1.644
49 1HB ASP 8 1HB ASP 8 -7.914 -5.493 1.995
50 2HB ASP 8 2HB ASP 8 -7.008 -5.160 0.501
51 H ALA 9 H ALA 9 -7.826 -1.733 1.772
52 HA ALA 9 HA ALA 9 -8.187 0.123 -0.363
53 1HB ALA 9 1HB ALA 9 -6.089 0.155 1.853
54 2HB ALA 9 2HB ALA 9 -6.578 1.528 0.841
55 3HB ALA 9 3HB ALA 9 -7.740 0.815 1.981
56 H CYS 10 H CYS 10 -5.601 -2.288 0.207
57 HA CYS 10 HA CYS 10 -3.632 -0.943 -1.352
58 1HB CYS 10 1HB CYS 10 -2.284 -2.720 -0.874
59 2HB CYS 10 2HB CYS 10 -3.464 -2.874 0.379
60 H VAL 11 H VAL 11 -6.462 -2.714 -2.346
61 HA VAL 11 HA VAL 11 -5.536 -3.313 -5.045
62 HB VAL 11 HB VAL 11 -8.348 -3.100 -3.909
63 1HG1 VAL 11 1HG1 VAL 11 -8.293 -3.180 -6.403
64 2HG1 VAL 11 2HG1 VAL 11 -7.369 -4.699 -6.318
65 3HG1 VAL 11 3HG1 VAL 11 -9.028 -4.624 -5.710
66 1HG2 VAL 11 1HG2 VAL 11 -6.529 -5.541 -4.063
67 2HG2 VAL 11 2HG2 VAL 11 -7.131 -4.763 -2.582
68 3HG2 VAL 11 3HG2 VAL 11 -8.259 -5.585 -3.649
69 H LEU 12 H LEU 12 -6.999 -0.610 -3.357
70 HA LEU 12 HA LEU 12 -8.183 0.684 -5.611
71 1HB LEU 12 1HB LEU 12 -9.383 1.084 -3.948
72 2HB LEU 12 2HB LEU 12 -8.135 1.036 -2.692
73 HG LEU 12 HG LEU 12 -7.649 3.443 -3.333
74 1HD1 LEU 12 1HD1 LEU 12 -9.866 4.523 -4.385
75 2HD1 LEU 12 2HD1 LEU 12 -8.605 3.938 -5.445
76 3HD1 LEU 12 3HD1 LEU 12 -10.060 2.944 -5.148
77 1HD2 LEU 12 1HD2 LEU 12 -8.951 2.796 -1.382
78 2HD2 LEU 12 2HD2 LEU 12 -9.676 4.241 -2.107
79 3HD2 LEU 12 3HD2 LEU 12 -10.427 2.656 -2.356
80 HA PRO 13 HA PRO 13 -4.556 2.896 -6.995
81 1HB PRO 13 1HB PRO 13 -6.631 4.916 -7.804
82 2HB PRO 13 2HB PRO 13 -5.284 4.257 -8.773
83 1HG PRO 13 1HG PRO 13 -7.856 3.378 -9.143
84 2HG PRO 13 2HG PRO 13 -6.460 2.260 -9.242
85 1HD PRO 13 1HD PRO 13 -8.448 2.546 -6.991
86 2HD PRO 13 2HD PRO 13 -7.587 1.119 -7.556
87 H ALA 14 H ALA 14 -3.492 4.931 -6.496
88 HA ALA 14 HA ALA 14 -4.226 5.935 -3.812
89 1HB ALA 14 1HB ALA 14 -1.993 6.889 -3.796
90 2HB ALA 14 2HB ALA 14 -1.901 5.187 -4.251
91 3HB ALA 14 3HB ALA 14 -1.736 6.452 -5.501
92 H VAL 15 H VAL 15 -3.878 8.356 -3.486
93 HA VAL 15 HA VAL 15 -4.518 10.061 -5.781
94 HB VAL 15 HB VAL 15 -6.103 9.873 -3.210
95 1HG1 VAL 15 1HG1 VAL 15 -6.164 12.184 -5.184
96 2HG1 VAL 15 2HG1 VAL 15 -7.369 11.892 -3.911
97 3HG1 VAL 15 3HG1 VAL 15 -5.714 12.241 -3.453
98 1HG2 VAL 15 1HG2 VAL 15 -6.908 8.470 -5.101
99 2HG2 VAL 15 2HG2 VAL 15 -8.063 9.741 -4.691
100 3HG2 VAL 15 3HG2 VAL 15 -7.016 9.918 -6.120
101 H GLN 16 H GLN 16 -3.675 12.085 -5.440
102 HA GLN 16 HA GLN 16 -1.370 12.114 -3.565
103 1HB GLN 16 1HB GLN 16 -1.780 14.028 -5.881
104 2HB GLN 16 2HB GLN 16 -0.293 13.596 -5.033
105 1HG GLN 16 1HG GLN 16 -0.761 11.177 -5.980
106 2HG GLN 16 2HG GLN 16 -1.855 11.991 -7.090
107 1HE2 GLN 16 1HE2 GLN 16 0.104 14.456 -7.155
108 2HE2 GLN 16 2HE2 GLN 16 1.350 13.854 -8.234
109 H GLY 17 H GLY 17 -4.360 13.764 -4.191
110 1HA GLY 17 1HA GLY 17 -5.508 15.249 -2.923
111 2HA GLY 17 2HA GLY 17 -4.096 15.543 -1.903
112 HA PRO 18 HA PRO 18 -4.797 18.919 -5.163
113 1HB PRO 18 1HB PRO 18 -5.883 20.955 -3.693
114 2HB PRO 18 2HB PRO 18 -6.840 19.582 -4.321
115 1HG PRO 18 1HG PRO 18 -5.635 19.883 -1.547
116 2HG PRO 18 2HG PRO 18 -7.327 19.483 -1.989
117 1HD PRO 18 1HD PRO 18 -5.507 17.547 -1.385
118 2HD PRO 18 2HD PRO 18 -6.720 17.281 -2.647
119 H CYS 19 H CYS 19 -2.742 18.560 -2.551
120 HA CYS 19 HA CYS 19 -1.709 21.143 -2.038
121 1HB CYS 19 1HB CYS 19 -0.409 18.409 -1.837
122 2HB CYS 19 2HB CYS 19 0.241 19.853 -1.100
123 H ARG 20 H ARG 20 0.788 21.441 -2.290
124 HA ARG 20 HA ARG 20 1.780 20.771 -4.974
125 1HB ARG 20 1HB ARG 20 1.441 23.577 -3.930
126 2HB ARG 20 2HB ARG 20 2.750 23.157 -5.016
127 1HG ARG 20 1HG ARG 20 1.406 23.347 -6.772
128 2HG ARG 20 2HG ARG 20 0.446 21.994 -6.236
129 1HD ARG 20 1HD ARG 20 0.005 24.893 -5.457
130 2HD ARG 20 2HD ARG 20 -0.835 24.046 -6.760
131 HE ARG 20 HE ARG 20 -1.692 22.451 -5.015
132 1HH1 ARG 20 2HH2 ARG 20 -1.018 25.842 -4.180
133 2HH1 ARG 20 1HH2 ARG 20 -2.279 25.958 -3.005
134 1HH2 ARG 20 2HH1 ARG 20 -3.380 22.625 -3.569
135 2HH2 ARG 20 1HH1 ARG 20 -3.676 24.035 -2.601
136 H GLY 21 H GLY 21 2.250 20.241 -2.039
137 1HA GLY 21 1HA GLY 21 5.225 20.563 -1.926
138 2HA GLY 21 2HA GLY 21 4.186 20.263 -0.488
139 H TRP 22 H TRP 22 6.269 18.314 -1.599
140 HA TRP 22 HA TRP 22 4.423 16.164 -2.447
141 1HB TRP 22 1HB TRP 22 7.126 16.761 -3.633
142 2HB TRP 22 2HB TRP 22 6.051 15.468 -4.090
143 HD1 TRP 22 HD TRP 22 7.158 18.538 -5.380
144 HE1 TRP 22 1HE TRP 22 5.489 19.846 -6.799
145 HE3 TRP 22 3HE TRP 22 2.834 16.140 -4.008
146 HZ2 TRP 22 2HZ TRP 22 2.635 19.846 -7.318
147 HZ3 TRP 22 3HZ TRP 22 0.668 16.831 -4.962
148 HH2 TRP 22 HH TRP 22 0.553 18.665 -6.629
149 H GLU 23 H GLU 23 4.336 14.892 -0.910
150 HA GLU 23 HA GLU 23 6.575 14.028 0.822
151 1HB GLU 23 1HB GLU 23 4.617 14.770 2.012
152 2HB GLU 23 2HB GLU 23 3.529 13.913 0.932
153 1HG GLU 23 1HG GLU 23 3.479 12.731 2.898
154 2HG GLU 23 2HG GLU 23 4.395 11.747 1.774
155 HA PRO 24 HA PRO 24 6.383 10.442 -2.184
156 1HB PRO 24 1HB PRO 24 8.588 9.127 -1.315
157 2HB PRO 24 2HB PRO 24 8.697 10.606 -2.317
158 1HG PRO 24 1HG PRO 24 8.997 10.364 0.690
159 2HG PRO 24 2HG PRO 24 10.028 11.270 -0.460
160 1HD PRO 24 1HD PRO 24 8.029 12.430 1.024
161 2HD PRO 24 2HD PRO 24 8.474 13.027 -0.603
162 H ARG 25 H ARG 25 4.936 8.942 -1.824
163 HA ARG 25 HA ARG 25 5.020 7.402 0.730
164 1HB ARG 25 1HB ARG 25 2.550 8.445 -0.723
165 2HB ARG 25 2HB ARG 25 2.481 7.200 0.531
166 1HG ARG 25 1HG ARG 25 3.564 10.007 0.911
167 2HG ARG 25 2HG ARG 25 1.957 9.455 1.377
168 1HD ARG 25 1HD ARG 25 2.933 7.810 2.924
169 2HD ARG 25 2HD ARG 25 4.562 8.335 2.495
170 HE ARG 25 HE ARG 25 4.408 10.227 3.744
171 1HH1 ARG 25 2HH2 ARG 25 1.140 8.826 3.631
172 2HH1 ARG 25 1HH2 ARG 25 0.483 9.952 4.770
173 1HH2 ARG 25 2HH1 ARG 25 3.666 11.579 5.159
174 2HH2 ARG 25 1HH1 ARG 25 2.029 11.617 5.785
175 H TRP 26 H TRP 26 3.536 5.357 0.312
176 HA TRP 26 HA TRP 26 4.452 4.146 -2.259
177 1HB TRP 26 1HB TRP 26 4.677 3.203 0.614
178 2HB TRP 26 2HB TRP 26 4.670 2.063 -0.729
179 HD1 TRP 26 HD TRP 26 6.753 5.018 0.651
180 HE1 TRP 26 1HE TRP 26 9.112 4.898 -0.305
181 HE3 TRP 26 3HE TRP 26 6.116 1.007 -2.396
182 HZ2 TRP 26 2HZ TRP 26 10.550 3.260 -2.280
183 HZ3 TRP 26 3HZ TRP 26 7.883 0.406 -4.074
184 HH2 TRP 26 HH TRP 26 10.118 1.365 -3.880
185 H ALA 27 H ALA 27 2.973 2.694 -3.245
186 HA ALA 27 HA ALA 27 0.457 2.154 -1.810
187 1HB ALA 27 1HB ALA 27 0.572 3.435 -4.579
188 2HB ALA 27 2HB ALA 27 -0.871 2.725 -3.840
189 3HB ALA 27 3HB ALA 27 -0.126 4.137 -3.089
190 H TYR 28 H TYR 28 -0.418 0.212 -2.369
191 HA TYR 28 HA TYR 28 1.282 -1.656 -3.854
192 1HB TYR 28 1HB TYR 28 -0.011 -2.272 -1.755
193 2HB TYR 28 2HB TYR 28 -1.474 -2.041 -2.679
194 HD1 TYR 28 1HD TYR 28 -2.208 -3.682 -4.371
195 HD2 TYR 28 2HD TYR 28 1.385 -4.324 -2.078
196 HE1 TYR 28 1HE TYR 28 -2.169 -6.032 -5.087
197 HE2 TYR 28 2HE TYR 28 1.498 -6.631 -2.880
198 HH TYR 28 HH TYR 28 0.588 -8.185 -4.277
199 H SER 29 H SER 29 0.836 -2.499 -5.880
200 HA SER 29 HA SER 29 -1.588 -1.508 -7.265
201 1HB SER 29 1HB SER 29 1.278 -1.576 -8.136
202 2HB SER 29 2HB SER 29 0.017 -1.559 -9.342
203 HG SER 29 HG SER 29 -0.424 0.088 -7.175
204 HA PRO 30 HA PRO 30 -1.921 -6.008 -7.226
205 1HB PRO 30 1HB PRO 30 -4.471 -6.222 -8.248
206 2HB PRO 30 2HB PRO 30 -4.132 -5.811 -6.536
207 1HG PRO 30 1HG PRO 30 -4.766 -3.928 -8.826
208 2HG PRO 30 2HG PRO 30 -5.441 -3.935 -7.172
209 1HD PRO 30 1HD PRO 30 -3.435 -2.268 -7.890
210 2HD PRO 30 2HD PRO 30 -3.491 -2.989 -6.256
211 H LEU 31 H LEU 31 -2.742 -3.857 -9.950
212 HA LEU 31 HA LEU 31 -2.408 -5.745 -12.047
213 1HB LEU 31 1HB LEU 31 -2.281 -2.749 -11.873
214 2HB LEU 31 2HB LEU 31 -1.872 -3.578 -13.373
215 HG LEU 31 HG LEU 31 -4.487 -4.127 -11.916
216 1HD1 LEU 31 1HD1 LEU 31 -3.923 -2.134 -14.136
217 2HD1 LEU 31 2HD1 LEU 31 -5.530 -2.566 -13.493
218 3HD1 LEU 31 3HD1 LEU 31 -4.354 -1.747 -12.449
219 1HD2 LEU 31 1HD2 LEU 31 -3.609 -4.581 -14.812
220 2HD2 LEU 31 2HD2 LEU 31 -3.877 -5.847 -13.599
221 3HD2 LEU 31 3HD2 LEU 31 -5.236 -4.882 -14.169
222 H LEU 32 H LEU 32 -0.047 -4.247 -9.971
223 HA LEU 32 HA LEU 32 2.197 -5.094 -11.741
224 1HB LEU 32 1HB LEU 32 1.831 -3.126 -9.499
225 2HB LEU 32 2HB LEU 32 3.431 -3.687 -9.863
226 HG LEU 32 HG LEU 32 1.662 -2.387 -11.972
227 1HD1 LEU 32 1HD1 LEU 32 3.851 -1.153 -10.243
228 2HD1 LEU 32 2HD1 LEU 32 3.112 -0.378 -11.664
229 3HD1 LEU 32 3HD1 LEU 32 2.118 -0.729 -10.253
230 1HD2 LEU 32 1HD2 LEU 32 4.658 -2.997 -11.912
231 2HD2 LEU 32 2HD2 LEU 32 3.445 -3.793 -12.934
232 3HD2 LEU 32 3HD2 LEU 32 3.817 -2.093 -13.191
233 H GLN 33 H GLN 33 0.224 -6.159 -9.252
234 HA GLN 33 HA GLN 33 0.215 -7.522 -7.623
235 1HB GLN 33 1HB GLN 33 0.936 -8.937 -9.553
236 2HB GLN 33 2HB GLN 33 2.607 -8.782 -9.041
237 1HG GLN 33 1HG GLN 33 0.884 -9.620 -6.854
238 2HG GLN 33 2HG GLN 33 0.646 -10.685 -8.235
239 1HE2 GLN 33 1HE2 GLN 33 3.517 -9.131 -6.720
240 2HE2 GLN 33 2HE2 GLN 33 4.595 -10.501 -6.877
241 H GLN 34 H GLN 34 1.948 -4.989 -7.317
242 HA GLN 34 HA GLN 34 3.206 -5.694 -4.824
243 1HB GLN 34 1HB GLN 34 4.803 -6.629 -6.705
244 2HB GLN 34 2HB GLN 34 5.188 -4.936 -7.013
245 1HG GLN 34 1HG GLN 34 6.100 -4.698 -4.759
246 2HG GLN 34 2HG GLN 34 5.448 -6.278 -4.304
247 1HE2 GLN 34 1HE2 GLN 34 7.187 -7.579 -4.041
248 2HE2 GLN 34 2HE2 GLN 34 8.453 -7.883 -5.227
249 H CYS 35 H CYS 35 4.615 -3.774 -4.050
250 HA CYS 35 HA CYS 35 3.080 -1.339 -4.535
251 1HB CYS 35 1HB CYS 35 5.274 -1.998 -2.539
252 2HB CYS 35 2HB CYS 35 4.378 -0.481 -2.602
253 H HIS 36 H HIS 36 3.798 0.605 -4.963
254 HA HIS 36 HA HIS 36 6.607 0.981 -5.897
255 1HB HIS 36 1HB HIS 36 5.894 2.207 -7.880
256 2HB HIS 36 2HB HIS 36 5.259 0.573 -7.917
257 HD1 HIS 36 1HD HIS 36 4.012 4.187 -7.133
258 HD2 HIS 36 2HD HIS 36 2.583 0.314 -8.172
259 HE1 HIS 36 1HE HIS 36 1.481 4.388 -7.509
260 HE2 HIS 36 2HE HIS 36 0.672 1.975 -8.163
261 HA PRO 37 HA PRO 37 6.071 4.769 -3.554
262 1HB PRO 37 1HB PRO 37 7.848 6.457 -4.981
263 2HB PRO 37 2HB PRO 37 8.231 5.444 -3.570
264 1HG PRO 37 1HG PRO 37 9.090 5.054 -6.319
265 2HG PRO 37 2HG PRO 37 9.480 4.068 -4.882
266 1HD PRO 37 1HD PRO 37 7.535 3.541 -7.011
267 2HD PRO 37 2HD PRO 37 8.205 2.433 -5.787
268 H PHE 38 H PHE 38 5.311 7.179 -3.921
269 HA PHE 38 HA PHE 38 4.585 7.926 -6.574
270 1HB PHE 38 1HB PHE 38 2.254 7.934 -6.479
271 2HB PHE 38 2HB PHE 38 2.695 6.316 -6.001
272 HD1 PHE 38 1HD PHE 38 0.759 9.201 -5.202
273 HD2 PHE 38 2HD PHE 38 2.693 5.797 -3.382
274 HE1 PHE 38 1HE PHE 38 -0.714 9.410 -3.252
275 HE2 PHE 38 2HE PHE 38 1.138 5.994 -1.449
276 HZ PHE 38 HZ PHE 38 -0.546 7.788 -1.370
277 H VAL 39 H VAL 39 3.361 10.120 -6.411
278 HA VAL 39 HA VAL 39 4.698 11.703 -4.306
279 HB VAL 39 HB VAL 39 3.352 12.377 -6.967
280 1HG1 VAL 39 1HG1 VAL 39 4.221 14.728 -6.490
281 2HG1 VAL 39 2HG1 VAL 39 2.839 14.213 -5.516
282 3HG1 VAL 39 3HG1 VAL 39 4.460 14.200 -4.809
283 1HG2 VAL 39 1HG2 VAL 39 6.243 12.622 -6.021
284 2HG2 VAL 39 2HG2 VAL 39 5.626 11.423 -7.178
285 3HG2 VAL 39 3HG2 VAL 39 5.620 13.137 -7.603
286 H TYR 40 H TYR 40 3.489 12.472 -2.606
287 HA TYR 40 HA TYR 40 0.559 12.662 -2.859
288 1HB TYR 40 1HB TYR 40 0.903 10.586 -1.767
289 2HB TYR 40 2HB TYR 40 2.262 11.176 -0.851
290 HD1 TYR 40 1HD TYR 40 2.034 11.933 1.298
291 HD2 TYR 40 2HD TYR 40 -1.477 11.631 -1.188
292 HE1 TYR 40 1HE TYR 40 0.635 12.362 3.262
293 HE2 TYR 40 2HE TYR 40 -2.900 12.110 0.772
294 HH TYR 40 HH TYR 40 -2.806 13.007 3.001
295 H GLY 41 H GLY 41 -0.218 14.215 -1.042
296 1HA GLY 41 1HA GLY 41 1.831 16.395 -0.777
297 2HA GLY 41 2HA GLY 41 0.125 16.586 -1.110
298 H GLY 42 H GLY 42 0.090 14.331 1.325
299 1HA GLY 42 1HA GLY 42 0.042 14.521 3.677
300 2HA GLY 42 2HA GLY 42 0.361 16.259 3.575
301 H CYS 43 H CYS 43 -1.722 16.636 1.503
302 HA CYS 43 HA CYS 43 -4.130 16.876 3.089
303 1HB CYS 43 1HB CYS 43 -5.006 17.611 0.750
304 2HB CYS 43 2HB CYS 43 -3.862 18.614 1.597
305 H GLU 44 H GLU 44 -6.142 16.239 1.566
306 HA GLU 44 HA GLU 44 -7.065 13.799 1.946
307 1HB GLU 44 1HB GLU 44 -7.447 15.283 -0.674
308 2HB GLU 44 2HB GLU 44 -8.498 14.052 0.008
309 1HG GLU 44 1HG GLU 44 -9.617 15.923 0.670
310 2HG GLU 44 2HG GLU 44 -8.630 15.665 2.100
311 H GLY 45 H GLY 45 -6.828 11.680 1.254
312 1HA GLY 45 1HA GLY 45 -5.973 10.975 -1.344
313 2HA GLY 45 2HA GLY 45 -4.703 10.630 -0.148
314 H ASN 46 H ASN 46 -5.642 8.378 -1.208
315 HA ASN 46 HA ASN 46 -7.993 7.467 0.369
316 1HB ASN 46 1HB ASN 46 -6.508 5.774 -1.647
317 2HB ASN 46 2HB ASN 46 -8.099 5.525 -0.974
318 1HD2 ASN 46 1HD2 ASN 46 -7.588 5.537 -3.877
319 2HD2 ASN 46 2HD2 ASN 46 -8.529 6.912 -4.417
320 H GLY 47 H GLY 47 -7.626 5.011 0.932
321 1HA GLY 47 1HA GLY 47 -5.780 5.064 3.169
322 2HA GLY 47 2HA GLY 47 -6.834 3.718 2.715
323 H ASN 48 H ASN 48 -5.398 4.057 -0.115
324 HA ASN 48 HA ASN 48 -3.271 2.105 0.432
325 1HB ASN 48 1HB ASN 48 -4.818 1.967 -1.524
326 2HB ASN 48 2HB ASN 48 -4.099 3.363 -2.231
327 1HD2 ASN 48 1HD2 ASN 48 -3.910 1.283 -3.774
328 2HD2 ASN 48 2HD2 ASN 48 -2.435 0.339 -3.723
329 H ASN 49 H ASN 49 -2.273 3.728 1.882
330 HA ASN 49 HA ASN 49 -0.290 5.389 0.437
331 1HB ASN 49 1HB ASN 49 -2.324 6.782 1.036
332 2HB ASN 49 2HB ASN 49 -2.048 6.393 2.732
333 1HD2 ASN 49 1HD2 ASN 49 -1.807 8.906 0.827
334 2HD2 ASN 49 2HD2 ASN 49 -0.324 9.652 1.341
335 H PHE 50 H PHE 50 1.482 4.398 1.120
336 HA PHE 50 HA PHE 50 1.725 3.452 3.918
337 1HB PHE 50 1HB PHE 50 2.826 2.340 1.319
338 2HB PHE 50 2HB PHE 50 3.372 1.773 2.835
339 HD1 PHE 50 1HD PHE 50 1.649 0.836 4.540
340 HD2 PHE 50 2HD PHE 50 0.625 1.638 0.420
341 HE1 PHE 50 1HE PHE 50 -0.487 -0.372 4.821
342 HE2 PHE 50 2HE PHE 50 -1.463 0.325 0.703
343 HZ PHE 50 HZ PHE 50 -2.045 -0.638 2.904
344 H HIS 51 H HIS 51 3.954 3.305 4.660
345 HA HIS 51 HA HIS 51 5.105 6.017 4.405
346 1HB HIS 51 1HB HIS 51 5.917 3.778 6.296
347 2HB HIS 51 2HB HIS 51 6.148 5.492 6.489
348 HD1 HIS 51 1HD HIS 51 3.791 6.858 7.276
349 HD2 HIS 51 2HD HIS 51 3.670 2.653 6.948
350 HE1 HIS 51 1HE HIS 51 1.565 6.093 8.370
351 HE2 HIS 51 2HE HIS 51 1.512 3.517 8.171
352 H SER 52 H SER 52 5.716 2.798 3.358
353 HA SER 52 HA SER 52 8.377 3.422 2.324
354 1HB SER 52 1HB SER 52 9.274 1.405 3.790
355 2HB SER 52 2HB SER 52 9.114 2.990 4.553
356 HG SER 52 HG SER 52 8.101 1.074 5.738
357 H ARG 53 H ARG 53 9.299 1.403 1.391
358 HA ARG 53 HA ARG 53 7.427 -0.052 -0.262
359 1HB ARG 53 1HB ARG 53 9.727 0.388 -0.957
360 2HB ARG 53 2HB ARG 53 10.347 -0.522 0.420
361 1HG ARG 53 1HG ARG 53 10.433 -1.807 -1.603
362 2HG ARG 53 2HG ARG 53 9.394 -2.584 -0.422
363 1HD ARG 53 1HD ARG 53 7.434 -1.522 -1.787
364 2HD ARG 53 2HD ARG 53 8.633 -1.176 -3.008
365 HE ARG 53 HE ARG 53 8.350 -3.905 -1.857
366 1HH1 ARG 53 2HH2 ARG 53 7.842 -2.268 -4.973
367 2HH1 ARG 53 1HH2 ARG 53 8.577 -3.579 -5.837
368 1HH2 ARG 53 2HH1 ARG 53 9.078 -5.494 -2.940
369 2HH2 ARG 53 1HH1 ARG 53 9.263 -5.506 -4.682
370 H GLU 54 H GLU 54 9.295 -0.788 2.624
371 HA GLU 54 HA GLU 54 8.658 -3.395 3.286
372 1HB GLU 54 1HB GLU 54 10.384 -2.214 4.325
373 2HB GLU 54 2HB GLU 54 9.466 -0.792 4.560
374 1HG GLU 54 1HG GLU 54 8.315 -2.796 6.296
375 2HG GLU 54 2HG GLU 54 10.078 -2.878 6.440
376 H SER 55 H SER 55 7.197 -0.684 5.044
377 HA SER 55 HA SER 55 5.087 -2.015 6.026
378 1HB SER 55 1HB SER 55 3.793 0.067 6.310
379 2HB SER 55 2HB SER 55 5.477 0.158 6.832
380 HG SER 55 HG SER 55 6.001 1.325 5.076
381 H CYS 56 H CYS 56 5.128 -0.935 2.737
382 HA CYS 56 HA CYS 56 2.287 -1.365 2.269
383 1HB CYS 56 1HB CYS 56 4.063 0.163 1.049
384 2HB CYS 56 2HB CYS 56 4.636 -1.281 0.293
385 H GLU 57 H GLU 57 5.253 -3.165 1.516
386 HA GLU 57 HA GLU 57 3.732 -5.416 0.390
387 1HB GLU 57 1HB GLU 57 6.647 -5.134 1.193
388 2HB GLU 57 2HB GLU 57 5.923 -6.708 0.800
389 1HG GLU 57 1HG GLU 57 5.058 -5.684 -1.369
390 2HG GLU 57 2HG GLU 57 6.064 -4.280 -1.029
391 H ASP 58 H ASP 58 4.847 -4.504 3.653
392 HA ASP 58 HA ASP 58 4.092 -6.911 4.971
393 1HB ASP 58 1HB ASP 58 5.471 -5.154 5.983
394 2HB ASP 58 2HB ASP 58 4.120 -4.024 5.910
395 H ALA 59 H ALA 59 2.152 -3.926 4.079
396 HA ALA 59 HA ALA 59 -0.192 -4.892 5.380
397 1HB ALA 59 1HB ALA 59 0.188 -2.551 4.813
398 2HB ALA 59 2HB ALA 59 0.109 -2.924 3.072
399 3HB ALA 59 3HB ALA 59 -1.332 -3.130 4.095
400 H CYS 60 H CYS 60 0.918 -5.245 1.977
401 HA CYS 60 HA CYS 60 -1.137 -7.375 1.677
402 1HB CYS 60 1HB CYS 60 -0.559 -5.157 -0.229
403 2HB CYS 60 2HB CYS 60 -1.064 -6.736 -0.824
404 HA PRO 61 HA PRO 61 3.080 -9.033 1.236
405 1HB PRO 61 1HB PRO 61 2.792 -11.299 2.735
406 2HB PRO 61 2HB PRO 61 3.052 -9.681 3.458
407 1HG PRO 61 1HG PRO 61 0.435 -11.157 3.087
408 2HG PRO 61 2HG PRO 61 1.034 -10.300 4.545
409 1HD PRO 61 1HD PRO 61 -0.699 -9.165 2.755
410 2HD PRO 61 2HD PRO 61 0.511 -8.199 3.628
411 H VAL 62 H VAL 62 3.872 -11.012 0.224
412 HA VAL 62 HA VAL 62 1.851 -12.186 -1.597
413 HB VAL 62 HB VAL 62 4.604 -11.511 -2.538
414 1HG1 VAL 62 1HG1 VAL 62 3.625 -11.371 -4.735
415 2HG1 VAL 62 2HG1 VAL 62 3.237 -12.917 -4.014
416 3HG1 VAL 62 3HG1 VAL 62 2.004 -11.646 -4.078
417 1HG2 VAL 62 1HG2 VAL 62 3.865 -9.288 -1.794
418 2HG2 VAL 62 2HG2 VAL 62 3.769 -9.345 -3.548
419 3HG2 VAL 62 3HG2 VAL 62 2.288 -9.510 -2.574
420 H VAL 63 H VAL 63 2.754 -14.038 -2.689
421 HA VAL 63 HA VAL 63 4.520 -15.803 -1.082
422 HB VAL 63 HB VAL 63 1.842 -16.735 -2.129
423 1HG1 VAL 63 1HG1 VAL 63 2.158 -18.527 -0.355
424 2HG1 VAL 63 2HG1 VAL 63 3.290 -18.621 -1.681
425 3HG1 VAL 63 3HG1 VAL 63 3.804 -17.918 -0.121
426 1HG2 VAL 63 1HG2 VAL 63 0.981 -16.679 0.230
427 2HG2 VAL 63 2HG2 VAL 63 2.430 -15.763 0.701
428 3HG2 VAL 63 3HG2 VAL 63 1.245 -15.074 -0.425
429 H ASP 64 H ASP 64 4.658 -17.886 -2.534
430 HA ASP 64 HA ASP 64 6.074 -17.337 -4.921
431 1HB ASP 64 1HB ASP 64 6.361 -19.536 -4.143
432 2HB ASP 64 2HB ASP 64 4.613 -19.807 -3.970
433 H HIS 65 H HIS 65 5.492 -17.059 -7.039
434 HA HIS 65 HA HIS 65 2.979 -15.829 -7.432
435 1HB HIS 65 1HB HIS 65 5.118 -16.467 -9.485
436 2HB HIS 65 2HB HIS 65 3.833 -15.261 -9.614
437 HD1 HIS 65 1HD HIS 65 3.896 -13.344 -7.411
438 HD2 HIS 65 2HD HIS 65 7.338 -15.688 -8.252
439 HE1 HIS 65 1HE HIS 65 5.751 -12.527 -5.856
440 HE2 HIS 65 2HE HIS 65 7.875 -13.852 -6.455
441 H HIS 66 H HIS 66 3.415 -19.200 -7.476
442 HA HIS 66 HA HIS 66 1.466 -19.606 -9.669
443 1HB HIS 66 1HB HIS 66 2.392 -21.602 -7.565
444 2HB HIS 66 2HB HIS 66 1.493 -21.943 -9.025
445 HD1 HIS 66 1HD HIS 66 5.025 -20.865 -7.926
446 HD2 HIS 66 2HD HIS 66 2.899 -22.446 -11.229
447 HE1 HIS 66 1HE HIS 66 6.795 -21.599 -9.639
448 HE2 HIS 66 2HE HIS 66 5.491 -22.571 -11.668
449 H HIS 67 H HIS 67 1.421 -18.532 -6.425
450 HA HIS 67 HA HIS 67 -0.857 -19.608 -5.265
451 1HB HIS 67 1HB HIS 67 0.807 -18.289 -4.104
452 2HB HIS 67 2HB HIS 67 0.466 -16.882 -5.112
453 HD1 HIS 67 1HD HIS 67 -0.031 -15.285 -3.014
454 HD2 HIS 67 2HD HIS 67 -2.643 -18.617 -3.516
455 HE1 HIS 67 1HE HIS 67 -1.773 -15.098 -1.284
456 HE2 HIS 67 2HE HIS 67 -3.546 -16.787 -1.799
457 H HIS 68 H HIS 68 -2.544 -19.870 -6.840
458 HA HIS 68 HA HIS 68 -3.753 -17.612 -8.186
459 1HB HIS 68 1HB HIS 68 -4.250 -19.931 -8.901
460 2HB HIS 68 2HB HIS 68 -4.895 -20.312 -7.305
461 HD1 HIS 68 1HD HIS 68 -5.872 -17.739 -10.129
462 HD2 HIS 68 2HD HIS 68 -7.452 -20.064 -6.965
463 HE1 HIS 68 1HE HIS 68 -8.395 -17.188 -9.911
464 HE2 HIS 68 2HE HIS 68 -9.300 -18.549 -8.058
465 H HIS 69 H HIS 69 -5.204 -16.113 -7.315
466 HA HIS 69 HA HIS 69 -5.628 -16.036 -4.380
467 1HB HIS 69 1HB HIS 69 -6.438 -14.125 -6.645
468 2HB HIS 69 2HB HIS 69 -6.641 -13.829 -4.931
469 HD1 HIS 69 1HD HIS 69 -5.167 -11.521 -5.582
470 HD2 HIS 69 2HD HIS 69 -3.230 -15.258 -5.163
471 HE1 HIS 69 1HE HIS 69 -2.686 -11.043 -5.315
472 HE2 HIS 69 2HE HIS 69 -1.522 -13.337 -4.994
473 H HIS 70 H HIS 70 -8.410 -14.688 -5.100
474 HA HIS 70 HA HIS 70 -9.999 -17.076 -4.952
475 1HB HIS 70 1HB HIS 70 -10.700 -14.848 -4.124
476 2HB HIS 70 2HB HIS 70 -10.630 -14.204 -5.771
477 HD1 HIS 70 1HD HIS 70 -12.277 -16.920 -6.890
478 HD2 HIS 70 2HD HIS 70 -13.217 -13.964 -4.032
479 HE1 HIS 70 1HE HIS 70 -14.914 -16.642 -6.863
480 HE2 HIS 70 2HE HIS 70 -15.378 -14.740 -5.095
Start of MODEL 10
1 1H GLU 1 1H GLU 1 -11.967 0.907 1.308
2 2H GLU 1 2H GLU 1 -10.588 1.319 0.494
3 3H GLU 1 H GLU 1 -11.171 -0.218 0.376
4 HA GLU 1 HA GLU 1 -13.053 0.481 -0.822
5 1HB GLU 1 1HB GLU 1 -12.666 3.064 -1.632
6 2HB GLU 1 2HB GLU 1 -13.816 2.522 -0.432
7 1HG GLU 1 1HG GLU 1 -12.650 4.519 0.317
8 2HG GLU 1 2HG GLU 1 -12.365 3.164 1.396
9 H ALA 2 H ALA 2 -12.935 0.591 -3.153
10 HA ALA 2 HA ALA 2 -10.604 1.399 -4.528
11 1HB ALA 2 1HB ALA 2 -9.831 -0.869 -3.707
12 2HB ALA 2 2HB ALA 2 -11.260 -1.596 -4.478
13 3HB ALA 2 3HB ALA 2 -10.002 -0.809 -5.461
14 H GLU 3 H GLU 3 -11.271 -0.133 -6.868
15 HA GLU 3 HA GLU 3 -13.425 1.183 -8.028
16 1HB GLU 3 1HB GLU 3 -12.162 -1.539 -8.587
17 2HB GLU 3 2HB GLU 3 -13.387 -0.815 -9.620
18 1HG GLU 3 1HG GLU 3 -11.227 -0.384 -10.579
19 2HG GLU 3 2HG GLU 3 -11.972 1.127 -10.071
20 H ALA 4 H ALA 4 -13.516 -1.329 -5.691
21 HA ALA 4 HA ALA 4 -16.449 -1.643 -5.921
22 1HB ALA 4 1HB ALA 4 -16.146 -3.875 -4.834
23 2HB ALA 4 2HB ALA 4 -15.418 -3.815 -6.454
24 3HB ALA 4 3HB ALA 4 -14.386 -3.706 -5.009
25 H GLU 5 H GLU 5 -17.436 -0.992 -4.045
26 HA GLU 5 HA GLU 5 -16.255 0.765 -2.314
27 1HB GLU 5 1HB GLU 5 -18.693 -0.997 -1.835
28 2HB GLU 5 2HB GLU 5 -18.288 0.443 -0.894
29 1HG GLU 5 1HG GLU 5 -18.580 1.868 -2.859
30 2HG GLU 5 2HG GLU 5 -18.839 0.454 -3.895
31 H PHE 6 H PHE 6 -17.337 -2.499 -1.267
32 HA PHE 6 HA PHE 6 -15.505 -2.360 1.044
33 1HB PHE 6 1HB PHE 6 -17.856 -3.188 1.281
34 2HB PHE 6 2HB PHE 6 -17.452 -4.564 0.264
35 HD1 PHE 6 1HD PHE 6 -15.994 -6.373 1.130
36 HD2 PHE 6 2HD PHE 6 -16.912 -2.919 3.542
37 HE1 PHE 6 1HE PHE 6 -15.097 -7.530 3.133
38 HE2 PHE 6 2HE PHE 6 -16.015 -4.077 5.542
39 HZ PHE 6 HZ PHE 6 -15.102 -6.384 5.345
40 H THR 7 H THR 7 -13.527 -2.400 0.042
41 HA THR 7 HA THR 7 -12.395 -4.992 -0.467
42 HB THR 7 HB THR 7 -12.606 -2.872 -2.652
43 HG1 THR 7 1HG THR 7 -14.035 -4.822 -2.314
44 1HG2 THR 7 1HG2 THR 7 -10.648 -5.206 -2.566
45 2HG2 THR 7 2HG2 THR 7 -11.017 -4.209 -3.991
46 3HG2 THR 7 3HG2 THR 7 -10.233 -3.472 -2.590
47 H ASP 8 H ASP 8 -9.975 -4.721 -0.210
48 HA ASP 8 HA ASP 8 -9.522 -2.731 1.842
49 1HB ASP 8 1HB ASP 8 -8.482 -4.939 2.046
50 2HB ASP 8 2HB ASP 8 -7.565 -4.664 0.545
51 H ALA 9 H ALA 9 -7.968 -1.156 1.835
52 HA ALA 9 HA ALA 9 -7.909 0.759 -0.265
53 1HB ALA 9 1HB ALA 9 -6.009 1.660 1.050
54 2HB ALA 9 2HB ALA 9 -7.412 1.306 2.076
55 3HB ALA 9 3HB ALA 9 -5.997 0.214 2.062
56 H CYS 10 H CYS 10 -5.596 -2.004 0.462
57 HA CYS 10 HA CYS 10 -3.568 -0.925 -1.150
58 1HB CYS 10 1HB CYS 10 -2.443 -2.854 -0.761
59 2HB CYS 10 2HB CYS 10 -3.622 -2.913 0.523
60 H VAL 11 H VAL 11 -6.576 -2.375 -2.222
61 HA VAL 11 HA VAL 11 -5.579 -3.142 -4.851
62 HB VAL 11 HB VAL 11 -8.397 -2.714 -3.791
63 1HG1 VAL 11 1HG1 VAL 11 -9.202 -4.072 -5.640
64 2HG1 VAL 11 2HG1 VAL 11 -8.346 -2.677 -6.288
65 3HG1 VAL 11 3HG1 VAL 11 -7.559 -4.272 -6.272
66 1HG2 VAL 11 1HG2 VAL 11 -8.411 -5.245 -3.684
67 2HG2 VAL 11 2HG2 VAL 11 -6.670 -5.220 -4.021
68 3HG2 VAL 11 3HG2 VAL 11 -7.311 -4.490 -2.532
69 H LEU 12 H LEU 12 -6.937 -0.229 -3.380
70 HA LEU 12 HA LEU 12 -7.910 1.071 -5.679
71 1HB LEU 12 1HB LEU 12 -8.809 1.766 -3.728
72 2HB LEU 12 2HB LEU 12 -7.341 1.688 -2.828
73 HG LEU 12 HG LEU 12 -6.930 3.931 -4.349
74 1HD1 LEU 12 1HD1 LEU 12 -9.866 3.969 -3.515
75 2HD1 LEU 12 2HD1 LEU 12 -8.969 5.237 -4.377
76 3HD1 LEU 12 3HD1 LEU 12 -9.387 3.718 -5.193
77 1HD2 LEU 12 1HD2 LEU 12 -7.560 5.095 -2.327
78 2HD2 LEU 12 2HD2 LEU 12 -8.261 3.596 -1.661
79 3HD2 LEU 12 3HD2 LEU 12 -6.524 3.695 -2.003
80 HA PRO 13 HA PRO 13 -4.289 2.833 -7.616
81 1HB PRO 13 1HB PRO 13 -5.970 5.333 -7.774
82 2HB PRO 13 2HB PRO 13 -5.026 4.542 -9.070
83 1HG PRO 13 1HG PRO 13 -7.741 4.248 -8.930
84 2HG PRO 13 2HG PRO 13 -6.685 2.872 -9.384
85 1HD PRO 13 1HD PRO 13 -8.029 3.383 -6.733
86 2HD PRO 13 2HD PRO 13 -7.707 1.859 -7.586
87 H ALA 14 H ALA 14 -2.687 4.608 -7.322
88 HA ALA 14 HA ALA 14 -2.473 5.387 -4.479
89 1HB ALA 14 1HB ALA 14 -0.471 4.662 -5.767
90 2HB ALA 14 2HB ALA 14 -0.667 6.063 -6.851
91 3HB ALA 14 3HB ALA 14 -0.310 6.311 -5.129
92 H VAL 15 H VAL 15 -3.741 7.100 -3.843
93 HA VAL 15 HA VAL 15 -4.408 9.224 -5.767
94 HB VAL 15 HB VAL 15 -5.275 8.898 -2.904
95 1HG1 VAL 15 1HG1 VAL 15 -5.632 11.160 -3.608
96 2HG1 VAL 15 2HG1 VAL 15 -6.408 10.624 -5.127
97 3HG1 VAL 15 3HG1 VAL 15 -7.183 10.350 -3.553
98 1HG2 VAL 15 1HG2 VAL 15 -6.104 6.941 -4.106
99 2HG2 VAL 15 2HG2 VAL 15 -7.459 8.053 -3.960
100 3HG2 VAL 15 3HG2 VAL 15 -6.590 7.941 -5.494
101 H GLN 16 H GLN 16 -3.549 11.114 -5.724
102 HA GLN 16 HA GLN 16 -1.188 11.681 -4.014
103 1HB GLN 16 1HB GLN 16 -2.438 13.561 -6.070
104 2HB GLN 16 2HB GLN 16 -0.925 13.753 -5.212
105 1HG GLN 16 1HG GLN 16 -0.170 11.590 -6.415
106 2HG GLN 16 2HG GLN 16 -1.571 11.859 -7.475
107 1HE2 GLN 16 1HE2 GLN 16 1.642 12.811 -6.728
108 2HE2 GLN 16 2HE2 GLN 16 1.703 14.306 -7.649
109 H GLY 17 H GLY 17 -4.519 12.897 -4.441
110 1HA GLY 17 1HA GLY 17 -5.777 13.923 -2.720
111 2HA GLY 17 2HA GLY 17 -4.272 14.462 -1.930
112 HA PRO 18 HA PRO 18 -6.048 17.607 -4.993
113 1HB PRO 18 1HB PRO 18 -6.744 19.676 -3.298
114 2HB PRO 18 2HB PRO 18 -7.820 18.324 -3.756
115 1HG PRO 18 1HG PRO 18 -6.196 18.650 -1.236
116 2HG PRO 18 2HG PRO 18 -7.870 18.053 -1.407
117 1HD PRO 18 1HD PRO 18 -5.704 16.384 -1.132
118 2HD PRO 18 2HD PRO 18 -7.147 15.918 -2.073
119 H CYS 19 H CYS 19 -3.942 18.315 -2.144
120 HA CYS 19 HA CYS 19 -2.829 20.652 -3.287
121 1HB CYS 19 1HB CYS 19 -1.401 18.910 -1.281
122 2HB CYS 19 2HB CYS 19 -1.280 20.638 -1.466
123 H ARG 20 H ARG 20 -0.635 20.991 -3.755
124 HA ARG 20 HA ARG 20 0.678 18.892 -5.403
125 1HB ARG 20 1HB ARG 20 0.298 21.785 -6.018
126 2HB ARG 20 2HB ARG 20 1.700 20.940 -6.614
127 1HG ARG 20 1HG ARG 20 0.021 21.048 -8.310
128 2HG ARG 20 2HG ARG 20 0.366 19.392 -7.898
129 1HD ARG 20 1HD ARG 20 -2.095 20.816 -6.845
130 2HD ARG 20 2HD ARG 20 -2.050 20.131 -8.468
131 HE ARG 20 HE ARG 20 -2.553 18.762 -6.064
132 1HH1 ARG 20 2HH2 ARG 20 -1.057 18.092 -9.230
133 2HH1 ARG 20 1HH2 ARG 20 -1.122 16.360 -8.973
134 1HH2 ARG 20 2HH1 ARG 20 -2.652 16.480 -5.844
135 2HH2 ARG 20 1HH1 ARG 20 -1.991 15.488 -7.112
136 H GLY 21 H GLY 21 1.002 20.012 -2.581
137 1HA GLY 21 1HA GLY 21 3.912 20.681 -2.480
138 2HA GLY 21 2HA GLY 21 2.871 20.281 -1.064
139 H TRP 22 H TRP 22 5.361 18.525 -1.255
140 HA TRP 22 HA TRP 22 4.153 16.120 -2.354
141 1HB TRP 22 1HB TRP 22 6.875 17.230 -3.107
142 2HB TRP 22 2HB TRP 22 6.325 15.622 -3.474
143 HD1 TRP 22 HD TRP 22 7.151 18.278 -5.342
144 HE1 TRP 22 1HE TRP 22 5.694 18.834 -7.361
145 HE3 TRP 22 3HE TRP 22 2.927 15.639 -4.093
146 HZ2 TRP 22 2HZ TRP 22 3.060 18.179 -8.356
147 HZ3 TRP 22 3HZ TRP 22 0.971 15.643 -5.574
148 HH2 TRP 22 HH TRP 22 1.044 16.868 -7.739
149 H GLU 23 H GLU 23 4.482 14.609 -1.236
150 HA GLU 23 HA GLU 23 6.628 14.153 0.788
151 1HB GLU 23 1HB GLU 23 4.744 14.811 2.048
152 2HB GLU 23 2HB GLU 23 3.620 14.026 0.955
153 1HG GLU 23 1HG GLU 23 3.484 12.818 2.875
154 2HG GLU 23 2HG GLU 23 4.384 11.802 1.772
155 HA PRO 24 HA PRO 24 6.679 10.316 -1.918
156 1HB PRO 24 1HB PRO 24 8.770 9.066 -0.737
157 2HB PRO 24 2HB PRO 24 8.996 10.465 -1.832
158 1HG PRO 24 1HG PRO 24 8.976 10.455 1.200
159 2HG PRO 24 2HG PRO 24 10.149 11.247 0.103
160 1HD PRO 24 1HD PRO 24 8.067 12.587 1.247
161 2HD PRO 24 2HD PRO 24 8.641 12.989 -0.396
162 H ARG 25 H ARG 25 5.345 8.743 -1.657
163 HA ARG 25 HA ARG 25 5.111 7.363 0.952
164 1HB ARG 25 1HB ARG 25 2.796 8.351 -0.769
165 2HB ARG 25 2HB ARG 25 2.598 7.161 0.517
166 1HG ARG 25 1HG ARG 25 3.643 9.981 0.903
167 2HG ARG 25 2HG ARG 25 1.995 9.444 1.205
168 1HD ARG 25 1HD ARG 25 2.779 7.902 2.959
169 2HD ARG 25 2HD ARG 25 4.446 8.378 2.654
170 HE ARG 25 HE ARG 25 4.188 10.394 3.679
171 1HH1 ARG 25 2HH2 ARG 25 0.951 8.951 3.531
172 2HH1 ARG 25 1HH2 ARG 25 0.218 10.137 4.545
173 1HH2 ARG 25 2HH1 ARG 25 3.349 11.866 4.941
174 2HH2 ARG 25 1HH1 ARG 25 1.661 11.932 5.417
175 H TRP 26 H TRP 26 3.605 5.366 0.412
176 HA TRP 26 HA TRP 26 4.617 3.988 -2.006
177 1HB TRP 26 1HB TRP 26 4.738 3.204 0.933
178 2HB TRP 26 2HB TRP 26 4.727 1.990 -0.339
179 HD1 TRP 26 HD TRP 26 6.905 4.877 1.013
180 HE1 TRP 26 1HE TRP 26 9.289 4.596 0.172
181 HE3 TRP 26 3HE TRP 26 6.162 0.838 -1.961
182 HZ2 TRP 26 2HZ TRP 26 10.691 2.889 -1.782
183 HZ3 TRP 26 3HZ TRP 26 7.926 0.137 -3.595
184 HH2 TRP 26 HH TRP 26 10.200 0.993 -3.370
185 H ALA 27 H ALA 27 3.060 2.527 -2.883
186 HA ALA 27 HA ALA 27 0.523 2.130 -1.450
187 1HB ALA 27 1HB ALA 27 -0.009 4.132 -2.735
188 2HB ALA 27 2HB ALA 27 0.760 3.450 -4.196
189 3HB ALA 27 3HB ALA 27 -0.738 2.751 -3.558
190 H TYR 28 H TYR 28 -0.497 0.220 -2.157
191 HA TYR 28 HA TYR 28 1.213 -1.649 -3.675
192 1HB TYR 28 1HB TYR 28 -0.068 -2.427 -1.663
193 2HB TYR 28 2HB TYR 28 -1.538 -2.087 -2.534
194 HD1 TYR 28 1HD TYR 28 -2.504 -3.805 -3.992
195 HD2 TYR 28 2HD TYR 28 1.579 -4.170 -2.670
196 HE1 TYR 28 1HE TYR 28 -2.442 -6.111 -4.824
197 HE2 TYR 28 2HE TYR 28 1.627 -6.492 -3.474
198 HH TYR 28 HH TYR 28 0.277 -8.288 -4.113
199 H SER 29 H SER 29 0.747 -2.434 -5.698
200 HA SER 29 HA SER 29 -1.638 -1.346 -7.064
201 1HB SER 29 1HB SER 29 1.232 -1.393 -7.910
202 2HB SER 29 2HB SER 29 -0.006 -1.360 -9.135
203 HG SER 29 HG SER 29 -0.649 0.252 -7.052
204 HA PRO 30 HA PRO 30 -1.982 -5.861 -7.176
205 1HB PRO 30 1HB PRO 30 -4.526 -6.019 -8.209
206 2HB PRO 30 2HB PRO 30 -4.185 -5.703 -6.478
207 1HG PRO 30 1HG PRO 30 -4.835 -3.697 -8.654
208 2HG PRO 30 2HG PRO 30 -5.497 -3.798 -6.998
209 1HD PRO 30 1HD PRO 30 -3.498 -2.088 -7.643
210 2HD PRO 30 2HD PRO 30 -3.543 -2.889 -6.049
211 H LEU 31 H LEU 31 -2.800 -3.544 -9.742
212 HA LEU 31 HA LEU 31 -2.470 -5.243 -11.991
213 1HB LEU 31 1HB LEU 31 -2.330 -2.272 -11.570
214 2HB LEU 31 2HB LEU 31 -1.986 -2.984 -13.144
215 HG LEU 31 HG LEU 31 -4.544 -3.644 -11.630
216 1HD1 LEU 31 1HD1 LEU 31 -5.646 -1.953 -13.014
217 2HD1 LEU 31 2HD1 LEU 31 -4.425 -1.229 -11.957
218 3HD1 LEU 31 3HD1 LEU 31 -4.068 -1.464 -13.690
219 1HD2 LEU 31 1HD2 LEU 31 -5.393 -4.203 -13.899
220 2HD2 LEU 31 2HD2 LEU 31 -3.797 -3.846 -14.590
221 3HD2 LEU 31 3HD2 LEU 31 -4.012 -5.212 -13.478
222 H LEU 32 H LEU 32 -0.093 -4.039 -9.776
223 HA LEU 32 HA LEU 32 2.126 -4.775 -11.623
224 1HB LEU 32 1HB LEU 32 1.848 -2.862 -9.320
225 2HB LEU 32 2HB LEU 32 3.425 -3.428 -9.773
226 HG LEU 32 HG LEU 32 1.574 -2.061 -11.764
227 1HD1 LEU 32 1HD1 LEU 32 3.831 -0.869 -10.094
228 2HD1 LEU 32 2HD1 LEU 32 3.021 -0.055 -11.454
229 3HD1 LEU 32 3HD1 LEU 32 2.097 -0.457 -10.009
230 1HD2 LEU 32 1HD2 LEU 32 3.676 -1.722 -13.058
231 2HD2 LEU 32 2HD2 LEU 32 4.570 -2.666 -11.842
232 3HD2 LEU 32 3HD2 LEU 32 3.314 -3.431 -12.837
233 H GLN 33 H GLN 33 0.187 -5.868 -9.178
234 HA GLN 33 HA GLN 33 0.164 -7.222 -7.502
235 1HB GLN 33 1HB GLN 33 0.735 -8.635 -9.547
236 2HB GLN 33 2HB GLN 33 2.383 -8.714 -8.938
237 1HG GLN 33 1HG GLN 33 0.568 -9.361 -6.783
238 2HG GLN 33 2HG GLN 33 0.027 -10.248 -8.199
239 1HE2 GLN 33 1HE2 GLN 33 3.174 -9.439 -6.663
240 2HE2 GLN 33 2HE2 GLN 33 3.894 -11.040 -6.932
241 H GLN 34 H GLN 34 1.853 -4.866 -7.063
242 HA GLN 34 HA GLN 34 3.240 -5.750 -4.715
243 1HB GLN 34 1HB GLN 34 4.869 -6.435 -6.664
244 2HB GLN 34 2HB GLN 34 5.178 -4.695 -6.790
245 1HG GLN 34 1HG GLN 34 6.054 -4.620 -4.531
246 2HG GLN 34 2HG GLN 34 5.446 -6.247 -4.199
247 1HE2 GLN 34 1HE2 GLN 34 7.186 -7.543 -3.982
248 2HE2 GLN 34 2HE2 GLN 34 8.450 -7.764 -5.204
249 H CYS 35 H CYS 35 4.494 -3.901 -3.721
250 HA CYS 35 HA CYS 35 3.064 -1.374 -4.160
251 1HB CYS 35 1HB CYS 35 5.128 -2.132 -2.075
252 2HB CYS 35 2HB CYS 35 4.341 -0.565 -2.203
253 H HIS 36 H HIS 36 3.884 0.494 -4.621
254 HA HIS 36 HA HIS 36 6.727 0.709 -5.500
255 1HB HIS 36 1HB HIS 36 6.082 1.946 -7.509
256 2HB HIS 36 2HB HIS 36 5.371 0.340 -7.529
257 HD1 HIS 36 1HD HIS 36 4.307 4.021 -6.820
258 HD2 HIS 36 2HD HIS 36 2.666 0.203 -7.761
259 HE1 HIS 36 1HE HIS 36 1.774 4.334 -7.186
260 HE2 HIS 36 2HE HIS 36 0.848 1.947 -7.769
261 HA PRO 37 HA PRO 37 6.303 4.550 -3.219
262 1HB PRO 37 1HB PRO 37 8.250 6.112 -4.528
263 2HB PRO 37 2HB PRO 37 8.518 5.034 -3.145
264 1HG PRO 37 1HG PRO 37 9.382 4.667 -5.918
265 2HG PRO 37 2HG PRO 37 9.761 3.665 -4.489
266 1HD PRO 37 1HD PRO 37 7.809 3.186 -6.613
267 2HD PRO 37 2HD PRO 37 8.403 2.070 -5.354
268 H PHE 38 H PHE 38 5.772 7.011 -3.682
269 HA PHE 38 HA PHE 38 5.261 7.738 -6.378
270 1HB PHE 38 1HB PHE 38 2.926 7.902 -6.459
271 2HB PHE 38 2HB PHE 38 3.233 6.260 -5.975
272 HD1 PHE 38 1HD PHE 38 2.994 5.694 -3.381
273 HD2 PHE 38 2HD PHE 38 1.417 9.254 -5.272
274 HE1 PHE 38 1HE PHE 38 1.235 5.894 -1.628
275 HE2 PHE 38 2HE PHE 38 -0.292 9.416 -3.525
276 HZ PHE 38 HZ PHE 38 -0.413 7.723 -1.709
277 H VAL 39 H VAL 39 4.189 10.018 -6.342
278 HA VAL 39 HA VAL 39 5.224 11.445 -3.960
279 HB VAL 39 HB VAL 39 4.354 12.617 -6.629
280 1HG1 VAL 39 1HG1 VAL 39 5.715 14.505 -5.881
281 2HG1 VAL 39 2HG1 VAL 39 4.602 14.072 -4.571
282 3HG1 VAL 39 3HG1 VAL 39 6.298 13.578 -4.478
283 1HG2 VAL 39 1HG2 VAL 39 6.778 12.771 -7.216
284 2HG2 VAL 39 2HG2 VAL 39 7.159 11.697 -5.855
285 3HG2 VAL 39 3HG2 VAL 39 6.188 11.111 -7.229
286 H TYR 40 H TYR 40 3.703 11.790 -2.478
287 HA TYR 40 HA TYR 40 0.823 11.938 -3.158
288 1HB TYR 40 1HB TYR 40 1.199 10.211 -1.590
289 2HB TYR 40 2HB TYR 40 2.488 11.071 -0.807
290 HD1 TYR 40 1HD TYR 40 2.151 11.886 1.268
291 HD2 TYR 40 2HD TYR 40 -1.258 11.504 -1.340
292 HE1 TYR 40 1HE TYR 40 0.647 12.475 3.150
293 HE2 TYR 40 2HE TYR 40 -2.727 12.267 0.519
294 HH TYR 40 HH TYR 40 -2.612 13.284 2.732
295 H GLY 41 H GLY 41 -0.338 13.754 -2.069
296 1HA GLY 41 1HA GLY 41 1.318 16.104 -2.256
297 2HA GLY 41 2HA GLY 41 -0.401 16.071 -2.314
298 H GLY 42 H GLY 42 0.510 14.236 0.333
299 1HA GLY 42 1HA GLY 42 1.000 14.553 2.509
300 2HA GLY 42 2HA GLY 42 1.329 16.263 2.239
301 H CYS 43 H CYS 43 -1.315 16.880 1.157
302 HA CYS 43 HA CYS 43 -2.927 16.905 3.603
303 1HB CYS 43 1HB CYS 43 -4.288 18.475 2.476
304 2HB CYS 43 2HB CYS 43 -2.622 18.887 2.152
305 H GLU 44 H GLU 44 -5.451 16.666 2.748
306 HA GLU 44 HA GLU 44 -6.323 14.242 3.211
307 1HB GLU 44 1HB GLU 44 -7.554 15.941 1.033
308 2HB GLU 44 2HB GLU 44 -8.329 14.653 1.955
309 1HG GLU 44 1HG GLU 44 -9.048 16.533 3.062
310 2HG GLU 44 2HG GLU 44 -7.723 16.000 4.077
311 H GLY 45 H GLY 45 -6.474 12.157 2.322
312 1HA GLY 45 1HA GLY 45 -6.471 11.620 -0.472
313 2HA GLY 45 2HA GLY 45 -4.924 11.192 0.268
314 H ASN 46 H ASN 46 -6.127 9.049 -0.606
315 HA ASN 46 HA ASN 46 -8.080 7.970 1.294
316 1HB ASN 46 1HB ASN 46 -6.798 6.705 -1.135
317 2HB ASN 46 2HB ASN 46 -8.154 6.060 -0.249
318 1HD2 ASN 46 1HD2 ASN 46 -9.796 5.975 -1.637
319 2HD2 ASN 46 2HD2 ASN 46 -10.382 7.376 -2.535
320 H GLY 47 H GLY 47 -7.618 5.377 1.324
321 1HA GLY 47 1HA GLY 47 -5.710 5.145 3.487
322 2HA GLY 47 2HA GLY 47 -6.796 3.894 2.883
323 H ASN 48 H ASN 48 -5.430 4.355 0.029
324 HA ASN 48 HA ASN 48 -3.349 2.348 0.564
325 1HB ASN 48 1HB ASN 48 -4.829 2.290 -1.463
326 2HB ASN 48 2HB ASN 48 -3.941 3.599 -2.161
327 1HD2 ASN 48 1HD2 ASN 48 -3.793 1.381 -3.634
328 2HD2 ASN 48 2HD2 ASN 48 -2.397 0.405 -3.427
329 H ASN 49 H ASN 49 -2.287 3.868 2.041
330 HA ASN 49 HA ASN 49 -0.247 5.499 0.636
331 1HB ASN 49 1HB ASN 49 -2.397 6.806 1.173
332 2HB ASN 49 2HB ASN 49 -2.032 6.563 2.879
333 1HD2 ASN 49 1HD2 ASN 49 -2.065 8.953 0.928
334 2HD2 ASN 49 2HD2 ASN 49 -0.565 9.790 1.210
335 H PHE 50 H PHE 50 1.533 4.581 1.393
336 HA PHE 50 HA PHE 50 1.831 3.825 4.263
337 1HB PHE 50 1HB PHE 50 2.852 2.562 1.685
338 2HB PHE 50 2HB PHE 50 3.451 2.061 3.202
339 HD1 PHE 50 1HD PHE 50 0.530 2.084 0.919
340 HD2 PHE 50 2HD PHE 50 1.938 0.780 4.792
341 HE1 PHE 50 1HE PHE 50 -1.474 0.670 1.175
342 HE2 PHE 50 2HE PHE 50 -0.090 -0.622 5.033
343 HZ PHE 50 HZ PHE 50 -1.828 -0.644 3.229
344 H HIS 51 H HIS 51 4.072 4.076 5.080
345 HA HIS 51 HA HIS 51 5.510 6.316 3.696
346 1HB HIS 51 1HB HIS 51 5.636 5.275 6.532
347 2HB HIS 51 2HB HIS 51 6.945 6.203 5.847
348 HD1 HIS 51 1HD HIS 51 6.475 8.831 5.240
349 HD2 HIS 51 2HD HIS 51 3.452 6.683 7.311
350 HE1 HIS 51 1HE HIS 51 5.021 10.564 6.376
351 HE2 HIS 51 2HE HIS 51 3.128 9.275 7.589
352 H SER 52 H SER 52 5.671 2.828 3.841
353 HA SER 52 HA SER 52 8.427 3.041 2.824
354 1HB SER 52 1HB SER 52 8.987 1.113 4.487
355 2HB SER 52 2HB SER 52 9.021 2.782 5.055
356 HG SER 52 HG SER 52 7.783 0.964 6.286
357 H ARG 53 H ARG 53 9.187 1.193 1.890
358 HA ARG 53 HA ARG 53 7.377 -0.318 0.249
359 1HB ARG 53 1HB ARG 53 9.671 0.181 -0.395
360 2HB ARG 53 2HB ARG 53 10.292 -0.707 0.993
361 1HG ARG 53 1HG ARG 53 10.468 -1.975 -1.025
362 2HG ARG 53 2HG ARG 53 9.432 -2.800 0.127
363 1HD ARG 53 1HD ARG 53 7.464 -1.847 -1.281
364 2HD ARG 53 2HD ARG 53 8.666 -1.390 -2.458
365 HE ARG 53 HE ARG 53 8.532 -4.167 -1.397
366 1HH1 ARG 53 2HH2 ARG 53 7.895 -2.434 -4.445
367 2HH1 ARG 53 1HH2 ARG 53 8.567 -3.735 -5.367
368 1HH2 ARG 53 2HH1 ARG 53 9.130 -5.738 -2.567
369 2HH2 ARG 53 1HH1 ARG 53 9.249 -5.689 -4.303
370 H GLU 54 H GLU 54 9.189 -1.034 3.180
371 HA GLU 54 HA GLU 54 8.568 -3.663 3.763
372 1HB GLU 54 1HB GLU 54 10.207 -2.616 4.926
373 2HB GLU 54 2HB GLU 54 9.423 -1.122 5.128
374 1HG GLU 54 1HG GLU 54 8.533 -3.582 6.699
375 2HG GLU 54 2HG GLU 54 9.970 -2.669 7.174
376 H SER 55 H SER 55 7.011 -1.007 5.424
377 HA SER 55 HA SER 55 4.924 -2.409 6.456
378 1HB SER 55 1HB SER 55 3.620 -0.266 6.622
379 2HB SER 55 2HB SER 55 5.294 -0.161 7.189
380 HG SER 55 HG SER 55 5.831 1.072 5.560
381 H CYS 56 H CYS 56 4.882 -0.882 3.297
382 HA CYS 56 HA CYS 56 2.199 -1.527 2.614
383 1HB CYS 56 1HB CYS 56 4.026 0.095 1.558
384 2HB CYS 56 2HB CYS 56 4.599 -1.295 0.710
385 H GLU 57 H GLU 57 5.239 -3.245 1.861
386 HA GLU 57 HA GLU 57 3.725 -5.351 0.531
387 1HB GLU 57 1HB GLU 57 6.597 -5.275 1.463
388 2HB GLU 57 2HB GLU 57 5.820 -6.795 0.987
389 1HG GLU 57 1HG GLU 57 5.081 -5.628 -1.172
390 2HG GLU 57 2HG GLU 57 6.186 -4.325 -0.744
391 H ASP 58 H ASP 58 4.565 -4.814 4.019
392 HA ASP 58 HA ASP 58 3.574 -7.476 4.593
393 1HB ASP 58 1HB ASP 58 5.000 -6.187 6.215
394 2HB ASP 58 2HB ASP 58 3.518 -5.316 6.664
395 H ALA 59 H ALA 59 1.910 -4.334 3.998
396 HA ALA 59 HA ALA 59 -0.630 -5.401 4.878
397 1HB ALA 59 1HB ALA 59 -0.023 -3.183 2.866
398 2HB ALA 59 2HB ALA 59 -1.600 -3.549 3.586
399 3HB ALA 59 3HB ALA 59 -0.266 -2.991 4.615
400 H CYS 60 H CYS 60 0.722 -4.929 1.543
401 HA CYS 60 HA CYS 60 -0.722 -7.348 0.645
402 1HB CYS 60 1HB CYS 60 -0.861 -4.617 -0.546
403 2HB CYS 60 2HB CYS 60 -1.150 -6.088 -1.479
404 HA PRO 61 HA PRO 61 3.470 -7.831 -1.087
405 1HB PRO 61 1HB PRO 61 3.998 -10.327 -0.094
406 2HB PRO 61 2HB PRO 61 3.889 -8.935 0.956
407 1HG PRO 61 1HG PRO 61 1.740 -10.980 0.322
408 2HG PRO 61 2HG PRO 61 2.257 -10.351 1.917
409 1HD PRO 61 1HD PRO 61 0.090 -9.406 0.440
410 2HD PRO 61 2HD PRO 61 0.952 -8.496 1.717
411 H VAL 62 H VAL 62 4.204 -10.175 -1.801
412 HA VAL 62 HA VAL 62 2.983 -11.238 -4.303
413 HB VAL 62 HB VAL 62 5.772 -11.458 -3.052
414 1HG1 VAL 62 1HG1 VAL 62 4.657 -12.265 -5.761
415 2HG1 VAL 62 2HG1 VAL 62 6.389 -11.960 -5.532
416 3HG1 VAL 62 3HG1 VAL 62 5.608 -13.224 -4.613
417 1HG2 VAL 62 1HG2 VAL 62 5.514 -9.103 -3.565
418 2HG2 VAL 62 2HG2 VAL 62 6.562 -9.828 -4.774
419 3HG2 VAL 62 3HG2 VAL 62 4.869 -9.466 -5.172
420 H VAL 63 H VAL 63 4.273 -13.714 -3.646
421 HA VAL 63 HA VAL 63 2.410 -15.078 -2.053
422 HB VAL 63 HB VAL 63 5.214 -15.830 -1.453
423 1HG1 VAL 63 1HG1 VAL 63 3.424 -17.099 -0.424
424 2HG1 VAL 63 2HG1 VAL 63 2.757 -17.495 -2.027
425 3HG1 VAL 63 3HG1 VAL 63 4.349 -18.115 -1.539
426 1HG2 VAL 63 1HG2 VAL 63 3.874 -16.367 -4.155
427 2HG2 VAL 63 2HG2 VAL 63 5.398 -15.485 -3.882
428 3HG2 VAL 63 3HG2 VAL 63 5.325 -17.216 -3.577
429 H ASP 64 H ASP 64 1.846 -14.986 -0.076
430 HA ASP 64 HA ASP 64 2.843 -12.804 1.589
431 1HB ASP 64 1HB ASP 64 0.482 -12.921 1.014
432 2HB ASP 64 2HB ASP 64 0.327 -14.444 1.893
433 H HIS 65 H HIS 65 3.078 -12.696 3.615
434 HA HIS 65 HA HIS 65 4.718 -14.456 5.139
435 1HB HIS 65 1HB HIS 65 3.189 -12.032 6.261
436 2HB HIS 65 2HB HIS 65 4.762 -12.628 6.687
437 HD1 HIS 65 1HD HIS 65 2.914 -10.755 3.872
438 HD2 HIS 65 2HD HIS 65 6.622 -10.967 5.903
439 HE1 HIS 65 1HE HIS 65 4.328 -8.787 3.070
440 HE2 HIS 65 2HE HIS 65 6.515 -8.860 4.352
441 H HIS 66 H HIS 66 1.377 -13.057 5.317
442 HA HIS 66 HA HIS 66 0.661 -14.574 7.690
443 1HB HIS 66 1HB HIS 66 -1.418 -13.222 5.998
444 2HB HIS 66 2HB HIS 66 -1.270 -13.275 7.732
445 HD1 HIS 66 1HD HIS 66 1.048 -11.495 8.595
446 HD2 HIS 66 2HD HIS 66 -0.943 -10.919 4.893
447 HE1 HIS 66 1HE HIS 66 1.632 -9.151 7.778
448 HE2 HIS 66 2HE HIS 66 0.448 -8.780 5.584
449 H HIS 67 H HIS 67 -1.225 -16.212 7.523
450 HA HIS 67 HA HIS 67 -1.338 -17.575 4.909
451 1HB HIS 67 1HB HIS 67 -0.287 -18.912 7.447
452 2HB HIS 67 2HB HIS 67 -0.720 -19.763 5.980
453 HD1 HIS 67 1HD HIS 67 1.159 -17.183 4.335
454 HD2 HIS 67 2HD HIS 67 2.141 -20.150 7.202
455 HE1 HIS 67 1HE HIS 67 3.615 -17.669 4.050
456 HE2 HIS 67 2HE HIS 67 4.253 -19.415 5.821
457 H HIS 68 H HIS 68 -2.957 -19.332 4.978
458 HA HIS 68 HA HIS 68 -5.441 -18.632 6.038
459 1HB HIS 68 1HB HIS 68 -5.368 -20.228 4.256
460 2HB HIS 68 2HB HIS 68 -4.252 -21.273 5.123
461 HD1 HIS 68 1HD HIS 68 -8.050 -20.633 4.880
462 HD2 HIS 68 2HD HIS 68 -5.209 -22.973 6.974
463 HE1 HIS 68 1HE HIS 68 -9.362 -22.397 6.224
464 HE2 HIS 68 2HE HIS 68 -7.648 -23.736 7.569
465 H HIS 69 H HIS 69 -6.074 -18.429 8.137
466 HA HIS 69 HA HIS 69 -4.810 -19.555 10.450
467 1HB HIS 69 1HB HIS 69 -6.449 -17.770 10.744
468 2HB HIS 69 2HB HIS 69 -7.661 -18.633 9.813
469 HD1 HIS 69 1HD HIS 69 -8.264 -21.327 11.310
470 HD2 HIS 69 2HD HIS 69 -7.315 -17.598 13.171
471 HE1 HIS 69 1HE HIS 69 -9.302 -21.369 13.577
472 HE2 HIS 69 2HE HIS 69 -8.728 -19.132 14.756
473 H HIS 70 H HIS 70 -4.815 -21.753 11.045
474 HA HIS 70 HA HIS 70 -5.410 -23.820 9.437
475 1HB HIS 70 1HB HIS 70 -4.284 -24.096 11.627
476 2HB HIS 70 2HB HIS 70 -5.836 -23.883 12.448
477 HD1 HIS 70 1HD HIS 70 -7.251 -25.914 10.093
478 HD2 HIS 70 2HD HIS 70 -4.147 -26.554 12.899
479 HE1 HIS 70 1HE HIS 70 -7.163 -28.473 10.542
480 HE2 HIS 70 2HE HIS 70 -5.259 -28.839 12.249
Start of MODEL 11
1 1H GLU 1 1H GLU 1 -12.216 -0.286 -6.231
2 2H GLU 1 2H GLU 1 -13.101 -1.052 -7.403
3 3H GLU 1 H GLU 1 -12.590 -1.911 -6.087
4 HA GLU 1 HA GLU 1 -13.976 -0.728 -4.624
5 1HB GLU 1 1HB GLU 1 -14.201 1.092 -6.969
6 2HB GLU 1 2HB GLU 1 -15.659 0.887 -6.005
7 1HG GLU 1 1HG GLU 1 -14.300 2.780 -5.242
8 2HG GLU 1 2HG GLU 1 -14.592 1.564 -3.999
9 H ALA 2 H ALA 2 -16.624 -0.495 -6.047
10 HA ALA 2 HA ALA 2 -17.609 -3.071 -5.426
11 1HB ALA 2 1HB ALA 2 -18.966 -0.999 -5.405
12 2HB ALA 2 2HB ALA 2 -18.867 -0.926 -7.187
13 3HB ALA 2 3HB ALA 2 -19.718 -2.266 -6.394
14 H GLU 3 H GLU 3 -15.783 -2.371 -8.170
15 HA GLU 3 HA GLU 3 -17.033 -4.064 -10.120
16 1HB GLU 3 1HB GLU 3 -14.017 -3.879 -9.870
17 2HB GLU 3 2HB GLU 3 -15.010 -4.042 -11.305
18 1HG GLU 3 1HG GLU 3 -14.152 -1.884 -11.459
19 2HG GLU 3 2HG GLU 3 -15.789 -1.616 -10.856
20 H ALA 4 H ALA 4 -15.284 -4.722 -7.176
21 HA ALA 4 HA ALA 4 -15.305 -7.638 -7.718
22 1HB ALA 4 1HB ALA 4 -12.977 -6.824 -7.650
23 2HB ALA 4 2HB ALA 4 -13.282 -6.055 -6.076
24 3HB ALA 4 3HB ALA 4 -13.331 -7.826 -6.229
25 H GLU 5 H GLU 5 -15.330 -8.840 -5.565
26 HA GLU 5 HA GLU 5 -17.692 -8.373 -4.151
27 1HB GLU 5 1HB GLU 5 -15.180 -9.895 -3.324
28 2HB GLU 5 2HB GLU 5 -16.769 -10.097 -2.584
29 1HG GLU 5 1HG GLU 5 -17.688 -11.066 -4.594
30 2HG GLU 5 2HG GLU 5 -16.256 -10.648 -5.540
31 H PHE 6 H PHE 6 -14.427 -7.177 -3.515
32 HA PHE 6 HA PHE 6 -15.345 -5.321 -1.539
33 1HB PHE 6 1HB PHE 6 -15.031 -7.358 -0.132
34 2HB PHE 6 2HB PHE 6 -13.392 -7.534 -0.740
35 HD1 PHE 6 1HD PHE 6 -11.669 -6.765 0.675
36 HD2 PHE 6 2HD PHE 6 -15.547 -4.878 0.873
37 HE1 PHE 6 1HE PHE 6 -10.842 -5.238 2.447
38 HE2 PHE 6 2HE PHE 6 -14.698 -3.336 2.624
39 HZ PHE 6 HZ PHE 6 -12.341 -3.512 3.404
40 H THR 7 H THR 7 -13.210 -4.030 -0.796
41 HA THR 7 HA THR 7 -10.953 -4.248 -2.605
42 HB THR 7 HB THR 7 -12.834 -1.857 -2.632
43 HG1 THR 7 1HG THR 7 -12.773 -3.824 -4.167
44 1HG2 THR 7 1HG2 THR 7 -10.520 -0.967 -2.405
45 2HG2 THR 7 2HG2 THR 7 -10.017 -1.953 -3.799
46 3HG2 THR 7 3HG2 THR 7 -11.193 -0.655 -3.997
47 H ASP 8 H ASP 8 -9.454 -4.425 -1.014
48 HA ASP 8 HA ASP 8 -9.719 -3.008 1.571
49 1HB ASP 8 1HB ASP 8 -8.535 -5.154 1.597
50 2HB ASP 8 2HB ASP 8 -7.455 -4.612 0.298
51 H ALA 9 H ALA 9 -7.931 -1.410 2.120
52 HA ALA 9 HA ALA 9 -7.812 0.745 0.251
53 1HB ALA 9 1HB ALA 9 -5.809 0.070 2.451
54 2HB ALA 9 2HB ALA 9 -5.888 1.585 1.550
55 3HB ALA 9 3HB ALA 9 -7.238 1.138 2.611
56 H CYS 10 H CYS 10 -5.594 -2.062 0.787
57 HA CYS 10 HA CYS 10 -3.537 -0.971 -0.855
58 1HB CYS 10 1HB CYS 10 -2.400 -2.888 -0.429
59 2HB CYS 10 2HB CYS 10 -3.534 -2.889 0.893
60 H VAL 11 H VAL 11 -6.539 -2.555 -1.749
61 HA VAL 11 HA VAL 11 -5.688 -3.154 -4.501
62 HB VAL 11 HB VAL 11 -8.389 -3.277 -3.088
63 1HG1 VAL 11 1HG1 VAL 11 -7.620 -4.462 -5.789
64 2HG1 VAL 11 2HG1 VAL 11 -9.179 -4.640 -4.957
65 3HG1 VAL 11 3HG1 VAL 11 -8.679 -3.060 -5.551
66 1HG2 VAL 11 1HG2 VAL 11 -6.843 -4.913 -2.135
67 2HG2 VAL 11 2HG2 VAL 11 -8.049 -5.734 -3.126
68 3HG2 VAL 11 3HG2 VAL 11 -6.407 -5.485 -3.759
69 H LEU 12 H LEU 12 -7.208 -0.557 -2.641
70 HA LEU 12 HA LEU 12 -8.496 0.764 -4.793
71 1HB LEU 12 1HB LEU 12 -9.498 1.256 -3.038
72 2HB LEU 12 2HB LEU 12 -8.124 1.200 -1.919
73 HG LEU 12 HG LEU 12 -7.620 3.561 -2.651
74 1HD1 LEU 12 1HD1 LEU 12 -10.106 3.097 -4.332
75 2HD1 LEU 12 2HD1 LEU 12 -9.889 4.679 -3.612
76 3HD1 LEU 12 3HD1 LEU 12 -8.666 4.052 -4.723
77 1HD2 LEU 12 1HD2 LEU 12 -10.381 2.962 -1.525
78 2HD2 LEU 12 2HD2 LEU 12 -8.862 3.023 -0.609
79 3HD2 LEU 12 3HD2 LEU 12 -9.528 4.501 -1.344
80 HA PRO 13 HA PRO 13 -4.977 2.793 -6.672
81 1HB PRO 13 1HB PRO 13 -7.123 4.824 -7.294
82 2HB PRO 13 2HB PRO 13 -5.885 4.144 -8.389
83 1HG PRO 13 1HG PRO 13 -8.466 3.249 -8.466
84 2HG PRO 13 2HG PRO 13 -7.090 2.113 -8.641
85 1HD PRO 13 1HD PRO 13 -8.845 2.552 -6.225
86 2HD PRO 13 2HD PRO 13 -8.077 1.079 -6.804
87 H ALA 14 H ALA 14 -3.837 4.934 -6.450
88 HA ALA 14 HA ALA 14 -4.407 6.129 -3.765
89 1HB ALA 14 1HB ALA 14 -2.007 6.459 -3.568
90 2HB ALA 14 2HB ALA 14 -2.405 4.747 -3.779
91 3HB ALA 14 3HB ALA 14 -1.735 5.688 -5.143
92 H VAL 15 H VAL 15 -5.259 8.092 -3.995
93 HA VAL 15 HA VAL 15 -4.754 9.807 -6.285
94 HB VAL 15 HB VAL 15 -6.175 10.083 -3.641
95 1HG1 VAL 15 1HG1 VAL 15 -5.966 12.283 -5.711
96 2HG1 VAL 15 2HG1 VAL 15 -7.157 12.224 -4.390
97 3HG1 VAL 15 3HG1 VAL 15 -5.457 12.315 -3.990
98 1HG2 VAL 15 1HG2 VAL 15 -7.228 10.127 -6.514
99 2HG2 VAL 15 2HG2 VAL 15 -7.265 8.712 -5.446
100 3HG2 VAL 15 3HG2 VAL 15 -8.211 10.142 -5.032
101 H GLN 16 H GLN 16 -3.602 11.621 -6.252
102 HA GLN 16 HA GLN 16 -1.267 11.743 -4.403
103 1HB GLN 16 1HB GLN 16 -1.635 13.036 -7.136
104 2HB GLN 16 2HB GLN 16 -0.203 13.144 -6.113
105 1HG GLN 16 1HG GLN 16 -0.444 10.441 -6.173
106 2HG GLN 16 2HG GLN 16 -1.249 10.790 -7.690
107 1HE2 GLN 16 1HE2 GLN 16 0.410 13.021 -8.583
108 2HE2 GLN 16 2HE2 GLN 16 2.002 12.339 -8.880
109 H GLY 17 H GLY 17 -4.165 13.527 -5.198
110 1HA GLY 17 1HA GLY 17 -5.177 14.946 -3.721
111 2HA GLY 17 2HA GLY 17 -3.651 15.323 -2.940
112 HA PRO 18 HA PRO 18 -4.893 18.751 -5.899
113 1HB PRO 18 1HB PRO 18 -6.124 20.555 -4.268
114 2HB PRO 18 2HB PRO 18 -6.976 19.150 -4.974
115 1HG PRO 18 1HG PRO 18 -5.805 19.411 -2.191
116 2HG PRO 18 2HG PRO 18 -7.415 18.792 -2.669
117 1HD PRO 18 1HD PRO 18 -5.283 17.127 -2.164
118 2HD PRO 18 2HD PRO 18 -6.529 16.736 -3.368
119 H CYS 19 H CYS 19 -3.386 18.883 -2.648
120 HA CYS 19 HA CYS 19 -2.277 21.488 -3.007
121 1HB CYS 19 1HB CYS 19 -1.227 19.342 -1.145
122 2HB CYS 19 2HB CYS 19 -1.062 21.068 -0.955
123 H ARG 20 H ARG 20 0.114 21.861 -2.836
124 HA ARG 20 HA ARG 20 1.500 20.265 -4.979
125 1HB ARG 20 1HB ARG 20 1.652 23.242 -4.438
126 2HB ARG 20 2HB ARG 20 2.609 22.331 -5.579
127 1HG ARG 20 1HG ARG 20 -0.412 22.762 -5.704
128 2HG ARG 20 2HG ARG 20 0.808 23.571 -6.680
129 1HD ARG 20 1HD ARG 20 -0.170 22.038 -8.121
130 2HD ARG 20 2HD ARG 20 1.383 21.314 -7.686
131 HE ARG 20 HE ARG 20 0.028 20.007 -5.953
132 1HH1 ARG 20 2HH2 ARG 20 -1.658 20.964 -8.920
133 2HH1 ARG 20 1HH2 ARG 20 -2.704 19.585 -8.880
134 1HH2 ARG 20 2HH1 ARG 20 -1.276 18.362 -5.863
135 2HH2 ARG 20 1HH1 ARG 20 -2.466 17.963 -7.014
136 H GLY 21 H GLY 21 1.609 20.402 -1.978
137 1HA GLY 21 1HA GLY 21 4.563 20.657 -1.495
138 2HA GLY 21 2HA GLY 21 3.325 20.277 -0.241
139 H TRP 22 H TRP 22 5.644 18.333 -0.870
140 HA TRP 22 HA TRP 22 4.074 16.168 -2.046
141 1HB TRP 22 1HB TRP 22 6.889 16.915 -2.897
142 2HB TRP 22 2HB TRP 22 5.960 15.559 -3.471
143 HD1 TRP 22 HD TRP 22 7.155 18.568 -4.715
144 HE1 TRP 22 1HE TRP 22 5.720 19.715 -6.483
145 HE3 TRP 22 3HE TRP 22 2.736 16.101 -3.920
146 HZ2 TRP 22 2HZ TRP 22 3.042 19.457 -7.573
147 HZ3 TRP 22 3HZ TRP 22 0.820 16.451 -5.424
148 HH2 TRP 22 HH TRP 22 0.990 18.065 -7.314
149 H GLU 23 H GLU 23 4.245 14.576 -0.897
150 HA GLU 23 HA GLU 23 6.352 14.027 1.129
151 1HB GLU 23 1HB GLU 23 4.403 14.953 2.174
152 2HB GLU 23 2HB GLU 23 3.308 14.012 1.173
153 1HG GLU 23 1HG GLU 23 3.166 13.102 3.284
154 2HG GLU 23 2HG GLU 23 4.021 11.941 2.290
155 HA PRO 24 HA PRO 24 6.298 10.279 -1.682
156 1HB PRO 24 1HB PRO 24 8.373 8.948 -0.547
157 2HB PRO 24 2HB PRO 24 8.610 10.367 -1.613
158 1HG PRO 24 1HG PRO 24 8.618 10.296 1.418
159 2HG PRO 24 2HG PRO 24 9.803 11.081 0.327
160 1HD PRO 24 1HD PRO 24 7.782 12.461 1.502
161 2HD PRO 24 2HD PRO 24 8.313 12.851 -0.159
162 H ARG 25 H ARG 25 4.971 8.737 -1.509
163 HA ARG 25 HA ARG 25 4.744 7.217 1.016
164 1HB ARG 25 1HB ARG 25 2.444 8.395 -0.613
165 2HB ARG 25 2HB ARG 25 2.204 7.041 0.492
166 1HG ARG 25 1HG ARG 25 3.310 9.755 1.324
167 2HG ARG 25 2HG ARG 25 1.647 9.217 1.533
168 1HD ARG 25 1HD ARG 25 2.446 7.285 2.903
169 2HD ARG 25 2HD ARG 25 4.098 7.875 2.785
170 HE ARG 25 HE ARG 25 1.845 9.042 4.226
171 1HH1 ARG 25 2HH2 ARG 25 5.255 9.429 3.145
172 2HH1 ARG 25 1HH2 ARG 25 5.599 10.734 4.153
173 1HH2 ARG 25 2HH1 ARG 25 2.332 11.000 5.489
174 2HH2 ARG 25 1HH1 ARG 25 3.934 11.640 5.476
175 H TRP 26 H TRP 26 3.348 5.234 0.505
176 HA TRP 26 HA TRP 26 4.339 3.969 -1.979
177 1HB TRP 26 1HB TRP 26 4.600 3.136 0.943
178 2HB TRP 26 2HB TRP 26 4.629 1.948 -0.355
179 HD1 TRP 26 HD TRP 26 6.663 4.918 1.038
180 HE1 TRP 26 1HE TRP 26 9.012 4.876 0.025
181 HE3 TRP 26 3HE TRP 26 6.051 0.985 -2.097
182 HZ2 TRP 26 2HZ TRP 26 10.422 3.364 -2.065
183 HZ3 TRP 26 3HZ TRP 26 7.773 0.482 -3.846
184 HH2 TRP 26 HH TRP 26 9.984 1.511 -3.710
185 H ALA 27 H ALA 27 2.769 2.600 -2.910
186 HA ALA 27 HA ALA 27 0.299 2.064 -1.389
187 1HB ALA 27 1HB ALA 27 -0.332 4.021 -2.673
188 2HB ALA 27 2HB ALA 27 0.428 3.368 -4.152
189 3HB ALA 27 3HB ALA 27 -1.021 2.609 -3.471
190 H TYR 28 H TYR 28 -0.674 0.138 -2.040
191 HA TYR 28 HA TYR 28 1.087 -1.710 -3.510
192 1HB TYR 28 1HB TYR 28 -0.125 -2.453 -1.445
193 2HB TYR 28 2HB TYR 28 -1.627 -2.158 -2.269
194 HD1 TYR 28 1HD TYR 28 -2.687 -3.958 -3.473
195 HD2 TYR 28 2HD TYR 28 1.529 -4.204 -2.589
196 HE1 TYR 28 1HE TYR 28 -2.640 -6.266 -4.307
197 HE2 TYR 28 2HE TYR 28 1.570 -6.500 -3.452
198 HH TYR 28 HH TYR 28 0.169 -8.343 -3.932
199 H SER 29 H SER 29 0.649 -2.666 -5.438
200 HA SER 29 HA SER 29 -1.741 -1.787 -6.916
201 1HB SER 29 1HB SER 29 1.148 -1.767 -7.719
202 2HB SER 29 2HB SER 29 -0.086 -1.862 -8.956
203 HG SER 29 HG SER 29 -0.728 -0.152 -6.922
204 HA PRO 30 HA PRO 30 -1.904 -6.310 -6.684
205 1HB PRO 30 1HB PRO 30 -4.415 -6.641 -7.794
206 2HB PRO 30 2HB PRO 30 -4.127 -6.233 -6.079
207 1HG PRO 30 1HG PRO 30 -4.819 -4.363 -8.352
208 2HG PRO 30 2HG PRO 30 -5.494 -4.398 -6.694
209 1HD PRO 30 1HD PRO 30 -3.560 -2.648 -7.422
210 2HD PRO 30 2HD PRO 30 -3.575 -3.371 -5.787
211 H LEU 31 H LEU 31 -2.715 -4.278 -9.502
212 HA LEU 31 HA LEU 31 -2.280 -6.234 -11.521
213 1HB LEU 31 1HB LEU 31 -2.290 -3.229 -11.466
214 2HB LEU 31 2HB LEU 31 -1.834 -4.099 -12.927
215 HG LEU 31 HG LEU 31 -4.432 -4.709 -11.462
216 1HD1 LEU 31 1HD1 LEU 31 -3.946 -2.776 -13.752
217 2HD1 LEU 31 2HD1 LEU 31 -5.534 -3.259 -13.101
218 3HD1 LEU 31 3HD1 LEU 31 -4.407 -2.347 -12.082
219 1HD2 LEU 31 1HD2 LEU 31 -5.130 -5.582 -13.689
220 2HD2 LEU 31 2HD2 LEU 31 -3.515 -5.229 -14.337
221 3HD2 LEU 31 3HD2 LEU 31 -3.731 -6.460 -13.077
222 H LEU 32 H LEU 32 -0.018 -4.546 -9.489
223 HA LEU 32 HA LEU 32 2.287 -5.333 -11.213
224 1HB LEU 32 1HB LEU 32 1.810 -3.338 -9.014
225 2HB LEU 32 2HB LEU 32 3.437 -3.839 -9.344
226 HG LEU 32 HG LEU 32 1.644 -2.653 -11.501
227 1HD1 LEU 32 1HD1 LEU 32 3.019 -0.586 -11.220
228 2HD1 LEU 32 2HD1 LEU 32 2.018 -0.944 -9.816
229 3HD1 LEU 32 3HD1 LEU 32 3.765 -1.304 -9.772
230 1HD2 LEU 32 1HD2 LEU 32 4.660 -3.147 -11.396
231 2HD2 LEU 32 2HD2 LEU 32 3.492 -4.006 -12.415
232 3HD2 LEU 32 3HD2 LEU 32 3.801 -2.298 -12.703
233 H GLN 33 H GLN 33 0.338 -6.429 -8.680
234 HA GLN 33 HA GLN 33 0.343 -7.611 -6.977
235 1HB GLN 33 1HB GLN 33 0.991 -9.112 -8.992
236 2HB GLN 33 2HB GLN 33 2.614 -9.141 -8.267
237 1HG GLN 33 1HG GLN 33 1.247 -9.706 -6.097
238 2HG GLN 33 2HG GLN 33 -0.007 -10.199 -7.195
239 1HE2 GLN 33 1HE2 GLN 33 1.170 -11.435 -9.288
240 2HE2 GLN 33 2HE2 GLN 33 2.083 -12.840 -8.744
241 H GLN 34 H GLN 34 1.899 -5.201 -6.688
242 HA GLN 34 HA GLN 34 3.507 -5.807 -4.384
243 1HB GLN 34 1HB GLN 34 5.027 -6.486 -6.425
244 2HB GLN 34 2HB GLN 34 5.157 -4.744 -6.702
245 1HG GLN 34 1HG GLN 34 6.211 -4.429 -4.521
246 2HG GLN 34 2HG GLN 34 5.845 -6.097 -4.069
247 1HE2 GLN 34 1HE2 GLN 34 7.740 -7.252 -4.028
248 2HE2 GLN 34 2HE2 GLN 34 8.931 -7.246 -5.321
249 H CYS 35 H CYS 35 4.664 -3.738 -3.662
250 HA CYS 35 HA CYS 35 2.910 -1.427 -4.215
251 1HB CYS 35 1HB CYS 35 5.042 -1.835 -2.087
252 2HB CYS 35 2HB CYS 35 4.068 -0.380 -2.306
253 H HIS 36 H HIS 36 3.563 0.532 -4.734
254 HA HIS 36 HA HIS 36 6.379 0.922 -5.678
255 1HB HIS 36 1HB HIS 36 5.582 2.185 -7.620
256 2HB HIS 36 2HB HIS 36 4.975 0.540 -7.659
257 HD1 HIS 36 1HD HIS 36 3.689 4.131 -6.815
258 HD2 HIS 36 2HD HIS 36 2.315 0.219 -7.794
259 HE1 HIS 36 1HE HIS 36 1.137 4.271 -7.126
260 HE2 HIS 36 2HE HIS 36 0.362 1.836 -7.736
261 HA PRO 37 HA PRO 37 5.894 4.670 -3.289
262 1HB PRO 37 1HB PRO 37 7.667 6.392 -4.605
263 2HB PRO 37 2HB PRO 37 8.086 5.227 -3.333
264 1HG PRO 37 1HG PRO 37 8.685 5.093 -6.217
265 2HG PRO 37 2HG PRO 37 9.338 4.097 -4.884
266 1HD PRO 37 1HD PRO 37 7.265 3.437 -6.805
267 2HD PRO 37 2HD PRO 37 8.012 2.390 -5.568
268 H PHE 38 H PHE 38 5.247 7.121 -3.631
269 HA PHE 38 HA PHE 38 4.482 7.888 -6.267
270 1HB PHE 38 1HB PHE 38 2.146 8.035 -6.113
271 2HB PHE 38 2HB PHE 38 2.544 6.379 -5.770
272 HD1 PHE 38 1HD PHE 38 0.768 9.289 -4.677
273 HD2 PHE 38 2HD PHE 38 2.479 5.581 -3.289
274 HE1 PHE 38 1HE PHE 38 -0.812 9.270 -2.782
275 HE2 PHE 38 2HE PHE 38 0.879 5.603 -1.363
276 HZ PHE 38 HZ PHE 38 -0.746 7.423 -1.112
277 H VAL 39 H VAL 39 3.312 10.107 -6.087
278 HA VAL 39 HA VAL 39 4.679 11.622 -3.926
279 HB VAL 39 HB VAL 39 3.663 12.357 -6.711
280 1HG1 VAL 39 1HG1 VAL 39 3.069 14.193 -5.291
281 2HG1 VAL 39 2HG1 VAL 39 4.632 14.142 -4.454
282 3HG1 VAL 39 3HG1 VAL 39 4.539 14.664 -6.154
283 1HG2 VAL 39 1HG2 VAL 39 5.914 11.308 -6.640
284 2HG2 VAL 39 2HG2 VAL 39 6.018 13.017 -7.077
285 3HG2 VAL 39 3HG2 VAL 39 6.434 12.503 -5.430
286 H TYR 40 H TYR 40 3.334 11.973 -2.221
287 HA TYR 40 HA TYR 40 0.405 12.204 -2.717
288 1HB TYR 40 1HB TYR 40 0.817 10.336 -1.344
289 2HB TYR 40 2HB TYR 40 2.132 11.092 -0.505
290 HD1 TYR 40 1HD TYR 40 1.854 11.933 1.576
291 HD2 TYR 40 2HD TYR 40 -1.611 11.498 -0.955
292 HE1 TYR 40 1HE TYR 40 0.411 12.462 3.491
293 HE2 TYR 40 2HE TYR 40 -3.071 12.070 0.964
294 HH TYR 40 HH TYR 40 -2.366 13.422 3.579
295 H GLY 41 H GLY 41 -0.544 14.126 -1.974
296 1HA GLY 41 1HA GLY 41 1.279 16.324 -1.754
297 2HA GLY 41 2HA GLY 41 -0.457 16.411 -1.868
298 H GLY 42 H GLY 42 0.261 14.380 0.713
299 1HA GLY 42 1HA GLY 42 0.430 14.633 3.003
300 2HA GLY 42 2HA GLY 42 0.692 16.365 2.845
301 H CYS 43 H CYS 43 -1.500 17.128 1.348
302 HA CYS 43 HA CYS 43 -3.760 16.883 3.149
303 1HB CYS 43 1HB CYS 43 -4.757 18.561 1.883
304 2HB CYS 43 2HB CYS 43 -3.063 18.969 1.972
305 H GLU 44 H GLU 44 -5.924 16.671 1.506
306 HA GLU 44 HA GLU 44 -6.779 14.207 1.604
307 1HB GLU 44 1HB GLU 44 -7.330 15.877 -0.853
308 2HB GLU 44 2HB GLU 44 -8.301 14.559 -0.204
309 1HG GLU 44 1HG GLU 44 -9.416 16.384 0.601
310 2HG GLU 44 2HG GLU 44 -8.432 15.951 1.985
311 H GLY 45 H GLY 45 -6.576 12.232 0.769
312 1HA GLY 45 1HA GLY 45 -5.767 11.454 -1.816
313 2HA GLY 45 2HA GLY 45 -4.458 11.225 -0.635
314 H ASN 46 H ASN 46 -5.333 8.836 -1.460
315 HA ASN 46 HA ASN 46 -7.746 8.101 0.106
316 1HB ASN 46 1HB ASN 46 -6.271 6.241 -1.759
317 2HB ASN 46 2HB ASN 46 -7.850 6.042 -1.063
318 1HD2 ASN 46 1HD2 ASN 46 -7.815 5.691 -3.754
319 2HD2 ASN 46 2HD2 ASN 46 -8.682 7.058 -4.432
320 H GLY 47 H GLY 47 -7.534 5.694 0.814
321 1HA GLY 47 1HA GLY 47 -5.878 5.856 3.212
322 2HA GLY 47 2HA GLY 47 -7.043 4.585 2.825
323 H ASN 48 H ASN 48 -5.367 4.460 0.107
324 HA ASN 48 HA ASN 48 -3.544 2.327 0.959
325 1HB ASN 48 1HB ASN 48 -4.946 2.331 -1.128
326 2HB ASN 48 2HB ASN 48 -4.002 3.571 -1.788
327 1HD2 ASN 48 1HD2 ASN 48 -4.105 1.270 -3.179
328 2HD2 ASN 48 2HD2 ASN 48 -2.714 0.236 -3.076
329 H ASN 49 H ASN 49 -2.486 3.870 2.445
330 HA ASN 49 HA ASN 49 -0.363 5.514 1.118
331 1HB ASN 49 1HB ASN 49 -2.435 6.756 1.975
332 2HB ASN 49 2HB ASN 49 -2.025 6.214 3.589
333 1HD2 ASN 49 1HD2 ASN 49 -1.775 8.717 1.436
334 2HD2 ASN 49 2HD2 ASN 49 -0.495 9.628 2.168
335 H PHE 50 H PHE 50 1.406 4.325 1.608
336 HA PHE 50 HA PHE 50 1.821 3.359 4.393
337 1HB PHE 50 1HB PHE 50 2.840 2.280 1.744
338 2HB PHE 50 2HB PHE 50 3.446 1.724 3.211
339 HD1 PHE 50 1HD PHE 50 2.041 0.322 4.769
340 HD2 PHE 50 2HD PHE 50 0.425 1.788 1.033
341 HE1 PHE 50 1HE PHE 50 0.072 -1.152 5.019
342 HE2 PHE 50 2HE PHE 50 -1.511 0.284 1.295
343 HZ PHE 50 HZ PHE 50 -1.718 -1.164 3.286
344 H HIS 51 H HIS 51 3.893 3.636 5.259
345 HA HIS 51 HA HIS 51 5.216 6.092 4.223
346 1HB HIS 51 1HB HIS 51 5.317 4.592 6.871
347 2HB HIS 51 2HB HIS 51 6.439 5.864 6.449
348 HD1 HIS 51 1HD HIS 51 5.648 8.297 7.016
349 HD2 HIS 51 2HD HIS 51 2.508 5.463 6.700
350 HE1 HIS 51 1HE HIS 51 3.496 9.487 7.750
351 HE2 HIS 51 2HE HIS 51 1.583 7.748 7.520
352 H SER 52 H SER 52 5.666 2.698 3.886
353 HA SER 52 HA SER 52 8.279 3.227 2.786
354 1HB SER 52 1HB SER 52 9.324 1.325 4.232
355 2HB SER 52 2HB SER 52 9.294 2.969 4.822
356 HG SER 52 HG SER 52 7.232 1.109 5.511
357 H ARG 53 H ARG 53 9.204 1.510 1.689
358 HA ARG 53 HA ARG 53 7.533 -0.023 0.029
359 1HB ARG 53 1HB ARG 53 9.736 0.662 -0.606
360 2HB ARG 53 2HB ARG 53 10.462 -0.216 0.733
361 1HG ARG 53 1HG ARG 53 10.736 -1.342 -1.358
362 2HG ARG 53 2HG ARG 53 9.855 -2.351 -0.224
363 1HD ARG 53 1HD ARG 53 7.737 -1.666 -1.527
364 2HD ARG 53 2HD ARG 53 8.800 -0.906 -2.682
365 HE ARG 53 HE ARG 53 9.197 -3.757 -1.925
366 1HH1 ARG 53 2HH2 ARG 53 7.871 -1.910 -4.655
367 2HH1 ARG 53 1HH2 ARG 53 8.582 -3.006 -5.783
368 1HH2 ARG 53 2HH1 ARG 53 9.829 -5.097 -3.332
369 2HH2 ARG 53 1HH1 ARG 53 9.679 -4.881 -5.056
370 H GLU 54 H GLU 54 9.644 -1.238 2.743
371 HA GLU 54 HA GLU 54 8.797 -3.867 2.386
372 1HB GLU 54 1HB GLU 54 10.798 -2.893 3.661
373 2HB GLU 54 2HB GLU 54 9.721 -2.798 5.043
374 1HG GLU 54 1HG GLU 54 10.966 -4.922 4.935
375 2HG GLU 54 2HG GLU 54 9.222 -5.197 4.933
376 H SER 55 H SER 55 7.678 -1.506 4.802
377 HA SER 55 HA SER 55 5.700 -3.065 6.042
378 1HB SER 55 1HB SER 55 4.475 -0.808 6.361
379 2HB SER 55 2HB SER 55 6.156 -0.864 6.927
380 HG SER 55 HG SER 55 5.472 0.043 4.331
381 H CYS 56 H CYS 56 5.562 -1.630 2.838
382 HA CYS 56 HA CYS 56 2.653 -1.901 2.634
383 1HB CYS 56 1HB CYS 56 4.249 -0.101 1.555
384 2HB CYS 56 2HB CYS 56 4.756 -1.356 0.470
385 H GLU 57 H GLU 57 5.593 -3.389 1.295
386 HA GLU 57 HA GLU 57 4.196 -5.492 -0.109
387 1HB GLU 57 1HB GLU 57 7.044 -5.303 0.976
388 2HB GLU 57 2HB GLU 57 6.375 -6.770 0.260
389 1HG GLU 57 1HG GLU 57 5.766 -5.326 -1.788
390 2HG GLU 57 2HG GLU 57 6.924 -4.167 -1.130
391 H ASP 58 H ASP 58 5.237 -5.212 3.367
392 HA ASP 58 HA ASP 58 4.412 -7.973 3.753
393 1HB ASP 58 1HB ASP 58 6.157 -6.784 5.164
394 2HB ASP 58 2HB ASP 58 4.795 -6.017 6.010
395 H ALA 59 H ALA 59 2.714 -4.781 3.873
396 HA ALA 59 HA ALA 59 0.408 -5.882 5.203
397 1HB ALA 59 1HB ALA 59 0.793 -3.471 5.068
398 2HB ALA 59 2HB ALA 59 0.671 -3.511 3.295
399 3HB ALA 59 3HB ALA 59 -0.747 -3.897 4.291
400 H CYS 60 H CYS 60 1.012 -5.151 1.716
401 HA CYS 60 HA CYS 60 -0.725 -7.435 0.978
402 1HB CYS 60 1HB CYS 60 -0.776 -4.673 -0.159
403 2HB CYS 60 2HB CYS 60 -1.221 -6.093 -1.111
404 HA PRO 61 HA PRO 61 3.385 -8.059 -0.787
405 1HB PRO 61 1HB PRO 61 3.581 -10.753 -0.366
406 2HB PRO 61 2HB PRO 61 3.425 -9.675 1.025
407 1HG PRO 61 1HG PRO 61 1.186 -11.171 -0.373
408 2HG PRO 61 2HG PRO 61 1.609 -11.176 1.374
409 1HD PRO 61 1HD PRO 61 -0.278 -9.499 0.311
410 2HD PRO 61 2HD PRO 61 0.762 -9.028 1.692
411 H VAL 62 H VAL 62 4.201 -9.899 -2.068
412 HA VAL 62 HA VAL 62 2.999 -10.430 -4.732
413 HB VAL 62 HB VAL 62 5.776 -11.175 -3.801
414 1HG1 VAL 62 1HG1 VAL 62 6.382 -10.732 -6.151
415 2HG1 VAL 62 2HG1 VAL 62 4.978 -11.807 -6.091
416 3HG1 VAL 62 3HG1 VAL 62 4.754 -10.093 -6.463
417 1HG2 VAL 62 1HG2 VAL 62 6.804 -9.100 -4.446
418 2HG2 VAL 62 2HG2 VAL 62 5.216 -8.339 -4.684
419 3HG2 VAL 62 3HG2 VAL 62 5.744 -8.843 -3.066
420 H VAL 63 H VAL 63 4.441 -12.905 -4.740
421 HA VAL 63 HA VAL 63 2.755 -14.696 -3.367
422 HB VAL 63 HB VAL 63 5.626 -15.412 -3.201
423 1HG1 VAL 63 1HG1 VAL 63 3.175 -17.004 -3.961
424 2HG1 VAL 63 2HG1 VAL 63 4.818 -17.657 -3.779
425 3HG1 VAL 63 3HG1 VAL 63 3.991 -16.981 -2.373
426 1HG2 VAL 63 1HG2 VAL 63 4.075 -15.365 -5.845
427 2HG2 VAL 63 2HG2 VAL 63 5.577 -14.483 -5.487
428 3HG2 VAL 63 3HG2 VAL 63 5.605 -16.241 -5.607
429 H ASP 64 H ASP 64 2.378 -14.866 -1.437
430 HA ASP 64 HA ASP 64 2.581 -13.132 0.548
431 1HB ASP 64 1HB ASP 64 0.988 -14.903 0.662
432 2HB ASP 64 2HB ASP 64 2.251 -16.078 1.070
433 H HIS 65 H HIS 65 4.035 -12.117 1.671
434 HA HIS 65 HA HIS 65 6.669 -12.969 2.264
435 1HB HIS 65 1HB HIS 65 4.819 -10.889 3.504
436 2HB HIS 65 2HB HIS 65 6.367 -11.243 4.196
437 HD1 HIS 65 1HD HIS 65 6.361 -10.843 0.331
438 HD2 HIS 65 2HD HIS 65 7.176 -8.835 3.973
439 HE1 HIS 65 1HE HIS 65 7.818 -8.768 -0.236
440 HE2 HIS 65 2HE HIS 65 8.367 -7.628 2.043
441 H HIS 66 H HIS 66 3.592 -13.492 3.983
442 HA HIS 66 HA HIS 66 4.945 -14.284 6.440
443 1HB HIS 66 1HB HIS 66 1.960 -14.495 5.939
444 2HB HIS 66 2HB HIS 66 2.820 -14.263 7.457
445 HD1 HIS 66 1HD HIS 66 1.468 -12.431 4.410
446 HD2 HIS 66 2HD HIS 66 3.819 -11.579 7.831
447 HE1 HIS 66 1HE HIS 66 1.410 -9.882 4.761
448 HE2 HIS 66 2HE HIS 66 2.998 -9.396 6.735
449 H HIS 67 H HIS 67 2.211 -16.185 5.241
450 HA HIS 67 HA HIS 67 3.795 -18.658 5.693
451 1HB HIS 67 1HB HIS 67 1.605 -19.850 5.451
452 2HB HIS 67 2HB HIS 67 1.868 -18.928 6.914
453 HD1 HIS 67 1HD HIS 67 0.550 -16.938 3.916
454 HD2 HIS 67 2HD HIS 67 -0.773 -18.927 7.414
455 HE1 HIS 67 1HE HIS 67 -1.892 -16.243 4.273
456 HE2 HIS 67 2HE HIS 67 -2.693 -17.438 6.422
457 H HIS 68 H HIS 68 5.047 -18.101 3.936
458 HA HIS 68 HA HIS 68 4.743 -17.503 1.419
459 1HB HIS 68 1HB HIS 68 6.383 -19.956 2.127
460 2HB HIS 68 2HB HIS 68 6.665 -18.819 0.814
461 HD1 HIS 68 1HD HIS 68 7.701 -19.402 4.355
462 HD2 HIS 68 2HD HIS 68 7.024 -16.088 1.816
463 HE1 HIS 68 1HE HIS 68 8.578 -17.308 5.586
464 HE2 HIS 68 2HE HIS 68 8.037 -15.317 4.073
465 H HIS 69 H HIS 69 2.975 -17.865 0.218
466 HA HIS 69 HA HIS 69 1.657 -20.402 -0.089
467 1HB HIS 69 1HB HIS 69 0.440 -18.375 -0.649
468 2HB HIS 69 2HB HIS 69 1.711 -17.828 -1.736
469 HD1 HIS 69 1HD HIS 69 -1.237 -20.352 -1.724
470 HD2 HIS 69 2HD HIS 69 1.908 -18.959 -4.196
471 HE1 HIS 69 1HE HIS 69 -1.500 -21.475 -3.998
472 HE2 HIS 69 2HE HIS 69 0.430 -20.707 -5.426
473 H HIS 70 H HIS 70 1.691 -21.842 -1.957
474 HA HIS 70 HA HIS 70 3.869 -21.704 -3.839
475 1HB HIS 70 1HB HIS 70 4.726 -23.319 -2.131
476 2HB HIS 70 2HB HIS 70 3.175 -24.178 -2.176
477 HD1 HIS 70 1HD HIS 70 3.209 -23.757 -5.569
478 HD2 HIS 70 2HD HIS 70 5.845 -25.756 -2.932
479 HE1 HIS 70 1HE HIS 70 4.452 -25.550 -6.981
480 HE2 HIS 70 2HE HIS 70 6.058 -26.761 -5.352
Start of MODEL 12
1 1H GLU 1 1H GLU 1 -10.249 -12.538 3.951
2 2H GLU 1 2H GLU 1 -8.707 -12.163 3.398
3 3H GLU 1 H GLU 1 -10.035 -11.371 2.808
4 HA GLU 1 HA GLU 1 -10.525 -10.469 4.930
5 1HB GLU 1 1HB GLU 1 -8.555 -10.570 6.604
6 2HB GLU 1 2HB GLU 1 -9.773 -11.818 6.564
7 1HG GLU 1 1HG GLU 1 -7.359 -12.552 6.891
8 2HG GLU 1 2HG GLU 1 -8.355 -13.439 5.751
9 H ALA 2 H ALA 2 -10.032 -8.434 5.315
10 HA ALA 2 HA ALA 2 -7.793 -6.923 5.227
11 1HB ALA 2 1HB ALA 2 -9.307 -7.007 2.599
12 2HB ALA 2 2HB ALA 2 -8.343 -5.595 3.116
13 3HB ALA 2 3HB ALA 2 -7.567 -7.152 2.847
14 H GLU 3 H GLU 3 -9.750 -4.634 4.193
15 HA GLU 3 HA GLU 3 -11.200 -4.185 6.565
16 1HB GLU 3 1HB GLU 3 -11.954 -3.274 3.744
17 2HB GLU 3 2HB GLU 3 -12.600 -2.644 5.255
18 1HG GLU 3 1HG GLU 3 -11.047 -1.044 4.865
19 2HG GLU 3 2HG GLU 3 -10.056 -2.140 5.823
20 H ALA 4 H ALA 4 -12.095 -5.960 3.662
21 HA ALA 4 HA ALA 4 -14.472 -7.100 5.060
22 1HB ALA 4 1HB ALA 4 -15.579 -7.364 2.890
23 2HB ALA 4 2HB ALA 4 -15.174 -5.655 3.126
24 3HB ALA 4 3HB ALA 4 -14.177 -6.667 2.053
25 H GLU 5 H GLU 5 -14.882 -9.444 3.922
26 HA GLU 5 HA GLU 5 -12.332 -10.770 4.096
27 1HB GLU 5 1HB GLU 5 -15.055 -11.821 3.345
28 2HB GLU 5 2HB GLU 5 -13.600 -12.806 3.157
29 1HG GLU 5 1HG GLU 5 -14.627 -11.577 5.741
30 2HG GLU 5 2HG GLU 5 -14.604 -13.288 5.321
31 H PHE 6 H PHE 6 -14.056 -9.300 1.392
32 HA PHE 6 HA PHE 6 -11.544 -9.614 -0.074
33 1HB PHE 6 1HB PHE 6 -12.888 -11.591 -0.779
34 2HB PHE 6 2HB PHE 6 -14.155 -10.512 -1.350
35 HD1 PHE 6 1HD PHE 6 -10.622 -11.592 -1.836
36 HD2 PHE 6 2HD PHE 6 -13.893 -9.299 -3.466
37 HE1 PHE 6 1HE PHE 6 -9.382 -11.336 -3.971
38 HE2 PHE 6 2HE PHE 6 -12.652 -9.048 -5.596
39 HZ PHE 6 HZ PHE 6 -10.392 -10.062 -5.854
40 H THR 7 H THR 7 -11.330 -7.488 0.345
41 HA THR 7 HA THR 7 -11.686 -5.696 -1.646
42 HB THR 7 HB THR 7 -13.537 -5.041 0.694
43 HG1 THR 7 1HG THR 7 -14.311 -6.170 -1.252
44 1HG2 THR 7 1HG2 THR 7 -12.093 -3.094 0.277
45 2HG2 THR 7 2HG2 THR 7 -12.275 -3.270 -1.471
46 3HG2 THR 7 3HG2 THR 7 -13.656 -2.768 -0.466
47 H ASP 8 H ASP 8 -9.775 -4.523 -1.319
48 HA ASP 8 HA ASP 8 -8.902 -3.969 1.416
49 1HB ASP 8 1HB ASP 8 -7.740 -6.047 0.494
50 2HB ASP 8 2HB ASP 8 -7.102 -5.048 -0.801
51 H ALA 9 H ALA 9 -8.394 -1.797 1.440
52 HA ALA 9 HA ALA 9 -8.773 0.071 -0.565
53 1HB ALA 9 1HB ALA 9 -8.227 0.670 1.781
54 2HB ALA 9 2HB ALA 9 -6.573 0.051 1.565
55 3HB ALA 9 3HB ALA 9 -7.108 1.476 0.657
56 H CYS 10 H CYS 10 -6.121 -2.167 -0.236
57 HA CYS 10 HA CYS 10 -4.175 -0.665 -1.734
58 1HB CYS 10 1HB CYS 10 -2.749 -2.388 -1.320
59 2HB CYS 10 2HB CYS 10 -3.901 -2.558 -0.037
60 H VAL 11 H VAL 11 -6.889 -2.458 -2.803
61 HA VAL 11 HA VAL 11 -5.890 -2.939 -5.529
62 HB VAL 11 HB VAL 11 -8.686 -3.119 -4.309
63 1HG1 VAL 11 1HG1 VAL 11 -7.669 -4.243 -6.956
64 2HG1 VAL 11 2HG1 VAL 11 -9.259 -4.558 -6.230
65 3HG1 VAL 11 3HG1 VAL 11 -8.843 -2.927 -6.756
66 1HG2 VAL 11 1HG2 VAL 11 -6.603 -5.294 -4.830
67 2HG2 VAL 11 2HG2 VAL 11 -7.164 -4.733 -3.241
68 3HG2 VAL 11 3HG2 VAL 11 -8.279 -5.581 -4.305
69 H LEU 12 H LEU 12 -7.339 -0.377 -3.729
70 HA LEU 12 HA LEU 12 -8.494 1.089 -5.911
71 1HB LEU 12 1HB LEU 12 -9.734 1.447 -4.265
72 2HB LEU 12 2HB LEU 12 -8.584 1.196 -2.980
73 HG LEU 12 HG LEU 12 -7.833 3.595 -3.483
74 1HD1 LEU 12 1HD1 LEU 12 -8.767 4.344 -5.508
75 2HD1 LEU 12 2HD1 LEU 12 -10.295 3.439 -5.277
76 3HD1 LEU 12 3HD1 LEU 12 -9.978 4.931 -4.385
77 1HD2 LEU 12 1HD2 LEU 12 -10.627 2.919 -2.460
78 2HD2 LEU 12 2HD2 LEU 12 -9.115 2.902 -1.541
79 3HD2 LEU 12 3HD2 LEU 12 -9.779 4.440 -2.122
80 HA PRO 13 HA PRO 13 -4.722 3.133 -7.101
81 1HB PRO 13 1HB PRO 13 -6.689 5.348 -7.692
82 2HB PRO 13 2HB PRO 13 -5.342 4.758 -8.708
83 1HG PRO 13 1HG PRO 13 -7.906 3.993 -9.229
84 2HG PRO 13 2HG PRO 13 -6.556 2.819 -9.355
85 1HD PRO 13 1HD PRO 13 -8.605 3.069 -7.154
86 2HD PRO 13 2HD PRO 13 -7.815 1.632 -7.802
87 H ALA 14 H ALA 14 -3.501 5.042 -6.571
88 HA ALA 14 HA ALA 14 -3.892 5.984 -3.815
89 1HB ALA 14 1HB ALA 14 -1.680 6.982 -4.143
90 2HB ALA 14 2HB ALA 14 -1.651 5.286 -4.633
91 3HB ALA 14 3HB ALA 14 -1.701 6.572 -5.867
92 H VAL 15 H VAL 15 -3.597 8.383 -3.409
93 HA VAL 15 HA VAL 15 -4.462 10.210 -5.533
94 HB VAL 15 HB VAL 15 -5.865 9.744 -2.889
95 1HG1 VAL 15 1HG1 VAL 15 -7.222 11.771 -3.265
96 2HG1 VAL 15 2HG1 VAL 15 -5.550 12.137 -2.903
97 3HG1 VAL 15 3HG1 VAL 15 -6.138 12.247 -4.590
98 1HG2 VAL 15 1HG2 VAL 15 -6.753 8.522 -4.864
99 2HG2 VAL 15 2HG2 VAL 15 -7.910 9.715 -4.266
100 3HG2 VAL 15 3HG2 VAL 15 -6.950 10.058 -5.725
101 H GLN 16 H GLN 16 -3.755 12.339 -5.019
102 HA GLN 16 HA GLN 16 -1.295 12.367 -3.326
103 1HB GLN 16 1HB GLN 16 -2.187 14.528 -5.272
104 2HB GLN 16 2HB GLN 16 -0.596 14.267 -4.576
105 1HG GLN 16 1HG GLN 16 -0.470 12.141 -5.994
106 2HG GLN 16 2HG GLN 16 -1.942 12.707 -6.802
107 1HE2 GLN 16 1HE2 GLN 16 1.464 13.075 -6.577
108 2HE2 GLN 16 2HE2 GLN 16 1.649 14.518 -7.566
109 H GLY 17 H GLY 17 -4.448 13.860 -3.670
110 1HA GLY 17 1HA GLY 17 -5.607 15.214 -2.242
111 2HA GLY 17 2HA GLY 17 -4.151 15.562 -1.302
112 HA PRO 18 HA PRO 18 -5.258 18.883 -4.505
113 1HB PRO 18 1HB PRO 18 -5.864 20.992 -2.816
114 2HB PRO 18 2HB PRO 18 -7.045 19.786 -3.405
115 1HG PRO 18 1HG PRO 18 -5.588 19.831 -0.753
116 2HG PRO 18 2HG PRO 18 -7.321 19.505 -1.066
117 1HD PRO 18 1HD PRO 18 -5.514 17.503 -0.677
118 2HD PRO 18 2HD PRO 18 -6.845 17.291 -1.817
119 H CYS 19 H CYS 19 -3.185 18.912 -1.644
120 HA CYS 19 HA CYS 19 -1.677 21.246 -2.237
121 1HB CYS 19 1HB CYS 19 -0.461 18.847 -0.892
122 2HB CYS 19 2HB CYS 19 -0.207 20.525 -0.526
123 H ARG 20 H ARG 20 0.479 21.301 -2.926
124 HA ARG 20 HA ARG 20 1.373 19.224 -4.867
125 1HB ARG 20 1HB ARG 20 1.393 22.199 -5.182
126 2HB ARG 20 2HB ARG 20 2.620 21.227 -5.939
127 1HG ARG 20 1HG ARG 20 0.886 21.782 -7.498
128 2HG ARG 20 2HG ARG 20 1.015 20.056 -7.302
129 1HD ARG 20 1HD ARG 20 -1.174 21.652 -5.928
130 2HD ARG 20 2HD ARG 20 -1.306 21.177 -7.618
131 HE ARG 20 HE ARG 20 -1.808 19.589 -5.339
132 1HH1 ARG 20 2HH2 ARG 20 -0.693 19.169 -8.679
133 2HH1 ARG 20 1HH2 ARG 20 -0.985 17.448 -8.664
134 1HH2 ARG 20 2HH1 ARG 20 -2.163 17.331 -5.354
135 2HH2 ARG 20 1HH1 ARG 20 -1.708 16.401 -6.752
136 H GLY 21 H GLY 21 2.001 20.053 -1.958
137 1HA GLY 21 1HA GLY 21 4.954 20.334 -1.960
138 2HA GLY 21 2HA GLY 21 3.937 19.883 -0.547
139 H TRP 22 H TRP 22 6.344 18.167 -1.368
140 HA TRP 22 HA TRP 22 4.862 15.827 -2.388
141 1HB TRP 22 1HB TRP 22 7.500 16.890 -3.379
142 2HB TRP 22 2HB TRP 22 6.861 15.315 -3.756
143 HD1 TRP 22 HD TRP 22 7.586 17.839 -5.693
144 HE1 TRP 22 1HE TRP 22 5.925 18.536 -7.498
145 HE3 TRP 22 3HE TRP 22 3.315 15.677 -3.800
146 HZ2 TRP 22 2HZ TRP 22 3.137 18.131 -8.108
147 HZ3 TRP 22 3HZ TRP 22 1.192 15.915 -4.956
148 HH2 TRP 22 HH TRP 22 1.074 17.082 -7.155
149 H GLU 23 H GLU 23 4.834 14.502 -0.814
150 HA GLU 23 HA GLU 23 7.279 13.673 0.610
151 1HB GLU 23 1HB GLU 23 5.453 14.270 2.128
152 2HB GLU 23 2HB GLU 23 4.307 13.283 1.207
153 1HG GLU 23 1HG GLU 23 5.669 11.249 1.737
154 2HG GLU 23 2HG GLU 23 6.782 12.283 2.628
155 HA PRO 24 HA PRO 24 6.737 10.187 -2.386
156 1HB PRO 24 1HB PRO 24 8.799 8.615 -1.573
157 2HB PRO 24 2HB PRO 24 9.055 10.115 -2.518
158 1HG PRO 24 1HG PRO 24 9.332 9.723 0.475
159 2HG PRO 24 2HG PRO 24 10.436 10.581 -0.641
160 1HD PRO 24 1HD PRO 24 8.551 11.856 0.902
161 2HD PRO 24 2HD PRO 24 9.051 12.475 -0.702
162 H ARG 25 H ARG 25 5.032 8.996 -1.990
163 HA ARG 25 HA ARG 25 4.849 7.433 0.553
164 1HB ARG 25 1HB ARG 25 2.649 8.653 -1.154
165 2HB ARG 25 2HB ARG 25 2.330 7.352 -0.012
166 1HG ARG 25 1HG ARG 25 3.528 10.036 0.769
167 2HG ARG 25 2HG ARG 25 1.817 9.590 0.873
168 1HD ARG 25 1HD ARG 25 2.379 7.753 2.455
169 2HD ARG 25 2HD ARG 25 4.074 8.248 2.381
170 HE ARG 25 HE ARG 25 3.673 10.126 3.609
171 1HH1 ARG 25 2HH2 ARG 25 0.548 8.580 3.031
172 2HH1 ARG 25 1HH2 ARG 25 -0.325 9.614 4.113
173 1HH2 ARG 25 2HH1 ARG 25 2.544 11.594 4.712
174 2HH2 ARG 25 1HH1 ARG 25 0.880 11.388 5.179
175 H TRP 26 H TRP 26 3.322 5.470 0.002
176 HA TRP 26 HA TRP 26 4.348 4.117 -2.437
177 1HB TRP 26 1HB TRP 26 4.497 3.335 0.499
178 2HB TRP 26 2HB TRP 26 4.568 2.138 -0.789
179 HD1 TRP 26 HD TRP 26 6.547 5.224 0.493
180 HE1 TRP 26 1HE TRP 26 8.942 5.067 -0.329
181 HE3 TRP 26 3HE TRP 26 6.127 0.939 -2.193
182 HZ2 TRP 26 2HZ TRP 26 10.492 3.316 -2.132
183 HZ3 TRP 26 3HZ TRP 26 7.940 0.287 -3.802
184 HH2 TRP 26 HH TRP 26 10.148 1.307 -3.614
185 H ALA 27 H ALA 27 2.887 2.599 -3.329
186 HA ALA 27 HA ALA 27 0.382 2.063 -1.916
187 1HB ALA 27 1HB ALA 27 0.452 3.382 -4.672
188 2HB ALA 27 2HB ALA 27 -0.964 2.597 -3.966
189 3HB ALA 27 3HB ALA 27 -0.293 4.021 -3.173
190 H TYR 28 H TYR 28 -0.603 0.198 -2.661
191 HA TYR 28 HA TYR 28 1.177 -1.744 -3.947
192 1HB TYR 28 1HB TYR 28 -0.325 -2.220 -1.939
193 2HB TYR 28 2HB TYR 28 -1.680 -2.055 -3.040
194 HD1 TYR 28 1HD TYR 28 -2.510 -3.967 -4.172
195 HD2 TYR 28 2HD TYR 28 1.514 -4.039 -2.610
196 HE1 TYR 28 1HE TYR 28 -2.335 -6.393 -4.660
197 HE2 TYR 28 2HE TYR 28 1.697 -6.409 -3.122
198 HH TYR 28 HH TYR 28 0.405 -8.326 -3.521
199 H SER 29 H SER 29 0.785 -2.772 -5.850
200 HA SER 29 HA SER 29 -1.487 -1.883 -7.527
201 1HB SER 29 1HB SER 29 1.453 -2.120 -8.126
202 2HB SER 29 2HB SER 29 0.316 -2.174 -9.443
203 HG SER 29 HG SER 29 -0.264 -0.339 -7.482
204 HA PRO 30 HA PRO 30 -1.831 -6.380 -6.967
205 1HB PRO 30 1HB PRO 30 -4.332 -6.698 -8.085
206 2HB PRO 30 2HB PRO 30 -4.054 -6.188 -6.390
207 1HG PRO 30 1HG PRO 30 -4.669 -4.463 -8.798
208 2HG PRO 30 2HG PRO 30 -5.350 -4.366 -7.146
209 1HD PRO 30 1HD PRO 30 -3.351 -2.727 -7.995
210 2HD PRO 30 2HD PRO 30 -3.420 -3.309 -6.307
211 H LEU 31 H LEU 31 -2.502 -4.465 -9.865
212 HA LEU 31 HA LEU 31 -2.106 -6.495 -11.822
213 1HB LEU 31 1HB LEU 31 -1.976 -3.493 -11.845
214 2HB LEU 31 2HB LEU 31 -1.519 -4.421 -13.269
215 HG LEU 31 HG LEU 31 -4.184 -4.869 -11.868
216 1HD1 LEU 31 1HD1 LEU 31 -3.544 -3.031 -14.197
217 2HD1 LEU 31 2HD1 LEU 31 -5.172 -3.420 -13.579
218 3HD1 LEU 31 3HD1 LEU 31 -4.028 -2.531 -12.554
219 1HD2 LEU 31 1HD2 LEU 31 -3.524 -6.699 -13.408
220 2HD2 LEU 31 2HD2 LEU 31 -4.861 -5.776 -14.087
221 3HD2 LEU 31 3HD2 LEU 31 -3.213 -5.521 -14.696
222 H LEU 32 H LEU 32 0.184 -4.987 -9.688
223 HA LEU 32 HA LEU 32 2.458 -6.016 -11.314
224 1HB LEU 32 1HB LEU 32 2.096 -3.786 -9.324
225 2HB LEU 32 2HB LEU 32 3.684 -4.432 -9.582
226 HG LEU 32 HG LEU 32 1.993 -3.336 -11.862
227 1HD1 LEU 32 1HD1 LEU 32 2.482 -1.518 -10.298
228 2HD1 LEU 32 2HD1 LEU 32 4.204 -1.975 -10.259
229 3HD1 LEU 32 3HD1 LEU 32 3.471 -1.336 -11.748
230 1HD2 LEU 32 1HD2 LEU 32 4.178 -3.232 -13.063
231 2HD2 LEU 32 2HD2 LEU 32 4.966 -4.022 -11.677
232 3HD2 LEU 32 3HD2 LEU 32 3.744 -4.882 -12.634
233 H GLN 33 H GLN 33 0.393 -6.721 -8.778
234 HA GLN 33 HA GLN 33 0.363 -7.770 -6.870
235 1HB GLN 33 1HB GLN 33 0.859 -9.527 -8.677
236 2HB GLN 33 2HB GLN 33 2.513 -9.555 -8.070
237 1HG GLN 33 1HG GLN 33 0.735 -9.754 -5.818
238 2HG GLN 33 2HG GLN 33 0.102 -10.836 -7.047
239 1HE2 GLN 33 1HE2 GLN 33 3.310 -9.964 -5.638
240 2HE2 GLN 33 2HE2 GLN 33 3.903 -11.646 -5.624
241 H GLN 34 H GLN 34 1.917 -5.420 -6.731
242 HA GLN 34 HA GLN 34 3.748 -6.012 -4.522
243 1HB GLN 34 1HB GLN 34 4.908 -6.571 -6.863
244 2HB GLN 34 2HB GLN 34 4.972 -4.805 -7.006
245 1HG GLN 34 1HG GLN 34 6.387 -4.629 -5.066
246 2HG GLN 34 2HG GLN 34 6.252 -6.369 -4.762
247 1HE2 GLN 34 1HE2 GLN 34 6.611 -7.473 -7.334
248 2HE2 GLN 34 2HE2 GLN 34 8.216 -7.049 -7.900
249 H CYS 35 H CYS 35 4.859 -3.956 -3.866
250 HA CYS 35 HA CYS 35 3.127 -1.579 -4.382
251 1HB CYS 35 1HB CYS 35 5.169 -2.182 -2.251
252 2HB CYS 35 2HB CYS 35 4.500 -0.578 -2.506
253 H HIS 36 H HIS 36 3.870 0.386 -4.833
254 HA HIS 36 HA HIS 36 6.672 0.715 -5.745
255 1HB HIS 36 1HB HIS 36 6.006 1.806 -7.827
256 2HB HIS 36 2HB HIS 36 5.393 0.163 -7.775
257 HD1 HIS 36 1HD HIS 36 4.050 3.775 -7.108
258 HD2 HIS 36 2HD HIS 36 2.752 -0.118 -8.289
259 HE1 HIS 36 1HE HIS 36 1.538 3.924 -7.636
260 HE2 HIS 36 2HE HIS 36 0.831 1.507 -8.385
261 HA PRO 37 HA PRO 37 6.046 4.591 -3.633
262 1HB PRO 37 1HB PRO 37 7.901 6.222 -4.985
263 2HB PRO 37 2HB PRO 37 8.234 5.170 -3.592
264 1HG PRO 37 1HG PRO 37 9.065 4.798 -6.376
265 2HG PRO 37 2HG PRO 37 9.539 3.868 -4.921
266 1HD PRO 37 1HD PRO 37 7.612 3.168 -6.982
267 2HD PRO 37 2HD PRO 37 8.259 2.168 -5.655
268 H PHE 38 H PHE 38 5.455 7.009 -4.128
269 HA PHE 38 HA PHE 38 4.817 7.808 -6.753
270 1HB PHE 38 1HB PHE 38 2.495 7.918 -6.758
271 2HB PHE 38 2HB PHE 38 2.815 6.280 -6.258
272 HD1 PHE 38 1HD PHE 38 1.155 9.393 -5.468
273 HD2 PHE 38 2HD PHE 38 2.552 5.684 -3.747
274 HE1 PHE 38 1HE PHE 38 -0.363 9.705 -3.560
275 HE2 PHE 38 2HE PHE 38 0.982 6.016 -1.834
276 HZ PHE 38 HZ PHE 38 -0.438 8.031 -1.720
277 H VAL 39 H VAL 39 3.489 10.122 -6.353
278 HA VAL 39 HA VAL 39 4.967 11.374 -4.111
279 HB VAL 39 HB VAL 39 4.125 12.651 -6.721
280 1HG1 VAL 39 1HG1 VAL 39 4.794 14.038 -4.692
281 2HG1 VAL 39 2HG1 VAL 39 6.384 13.273 -4.751
282 3HG1 VAL 39 3HG1 VAL 39 5.837 14.297 -6.102
283 1HG2 VAL 39 1HG2 VAL 39 5.629 10.882 -7.464
284 2HG2 VAL 39 2HG2 VAL 39 6.508 12.409 -7.485
285 3HG2 VAL 39 3HG2 VAL 39 6.783 11.260 -6.160
286 H TYR 40 H TYR 40 3.731 12.357 -2.613
287 HA TYR 40 HA TYR 40 0.850 12.880 -3.052
288 1HB TYR 40 1HB TYR 40 0.933 10.790 -2.005
289 2HB TYR 40 2HB TYR 40 2.394 11.158 -1.127
290 HD1 TYR 40 1HD TYR 40 2.438 12.313 0.896
291 HD2 TYR 40 2HD TYR 40 -1.342 11.491 -1.022
292 HE1 TYR 40 1HE TYR 40 1.329 12.589 3.023
293 HE2 TYR 40 2HE TYR 40 -2.493 11.812 1.152
294 HH TYR 40 HH TYR 40 -1.834 12.928 3.593
295 H GLY 41 H GLY 41 -0.017 14.492 -1.410
296 1HA GLY 41 1HA GLY 41 2.135 16.401 -0.699
297 2HA GLY 41 2HA GLY 41 0.570 16.841 -1.325
298 H GLY 42 H GLY 42 0.633 14.384 1.206
299 1HA GLY 42 1HA GLY 42 0.636 14.564 3.528
300 2HA GLY 42 2HA GLY 42 0.693 16.330 3.423
301 H CYS 43 H CYS 43 -1.509 16.837 1.862
302 HA CYS 43 HA CYS 43 -3.779 16.481 3.598
303 1HB CYS 43 1HB CYS 43 -4.942 17.583 1.575
304 2HB CYS 43 2HB CYS 43 -3.727 18.477 2.454
305 H GLU 44 H GLU 44 -5.863 15.930 2.133
306 HA GLU 44 HA GLU 44 -6.624 13.488 2.446
307 1HB GLU 44 1HB GLU 44 -7.290 15.029 -0.076
308 2HB GLU 44 2HB GLU 44 -8.203 13.687 0.593
309 1HG GLU 44 1HG GLU 44 -9.381 15.483 1.403
310 2HG GLU 44 2HG GLU 44 -8.362 15.094 2.777
311 H GLY 45 H GLY 45 -6.421 11.399 1.733
312 1HA GLY 45 1HA GLY 45 -5.642 10.732 -0.931
313 2HA GLY 45 2HA GLY 45 -4.418 10.291 0.263
314 H ASN 46 H ASN 46 -5.516 8.126 -0.902
315 HA ASN 46 HA ASN 46 -7.918 7.303 0.637
316 1HB ASN 46 1HB ASN 46 -6.483 5.658 -1.470
317 2HB ASN 46 2HB ASN 46 -8.088 5.414 -0.817
318 1HD2 ASN 46 1HD2 ASN 46 -7.491 5.654 -3.720
319 2HD2 ASN 46 2HD2 ASN 46 -8.404 7.083 -4.164
320 H GLY 47 H GLY 47 -7.651 4.713 1.021
321 1HA GLY 47 1HA GLY 47 -5.848 4.504 3.278
322 2HA GLY 47 2HA GLY 47 -6.880 3.219 2.637
323 H ASN 48 H ASN 48 -5.575 3.657 -0.121
324 HA ASN 48 HA ASN 48 -3.289 1.869 0.243
325 1HB ASN 48 1HB ASN 48 -4.923 1.700 -1.620
326 2HB ASN 48 2HB ASN 48 -4.340 3.189 -2.305
327 1HD2 ASN 48 1HD2 ASN 48 -4.126 1.345 -4.003
328 2HD2 ASN 48 2HD2 ASN 48 -2.658 0.363 -4.057
329 H ASN 49 H ASN 49 -2.309 3.550 1.696
330 HA ASN 49 HA ASN 49 -0.495 5.339 0.196
331 1HB ASN 49 1HB ASN 49 -2.652 6.552 0.620
332 2HB ASN 49 2HB ASN 49 -2.450 6.275 2.355
333 1HD2 ASN 49 1HD2 ASN 49 -2.789 8.786 1.568
334 2HD2 ASN 49 2HD2 ASN 49 -1.303 9.718 1.469
335 H PHE 50 H PHE 50 1.344 4.561 0.988
336 HA PHE 50 HA PHE 50 1.659 3.935 3.888
337 1HB PHE 50 1HB PHE 50 2.690 2.604 1.358
338 2HB PHE 50 2HB PHE 50 3.233 2.093 2.889
339 HD1 PHE 50 1HD PHE 50 0.718 1.707 0.366
340 HD2 PHE 50 2HD PHE 50 1.183 1.514 4.652
341 HE1 PHE 50 1HE PHE 50 -1.445 0.535 0.552
342 HE2 PHE 50 2HE PHE 50 -1.040 0.437 4.824
343 HZ PHE 50 HZ PHE 50 -2.389 -0.008 2.774
344 H HIS 51 H HIS 51 3.932 4.168 4.673
345 HA HIS 51 HA HIS 51 5.101 6.658 3.465
346 1HB HIS 51 1HB HIS 51 5.452 5.295 6.165
347 2HB HIS 51 2HB HIS 51 6.525 6.550 5.601
348 HD1 HIS 51 1HD HIS 51 5.318 9.152 5.171
349 HD2 HIS 51 2HD HIS 51 3.266 6.128 7.384
350 HE1 HIS 51 1HE HIS 51 3.683 10.324 6.602
351 HE2 HIS 51 2HE HIS 51 2.348 8.525 7.934
352 H SER 52 H SER 52 5.601 3.244 3.303
353 HA SER 52 HA SER 52 8.305 3.684 2.278
354 1HB SER 52 1HB SER 52 9.156 1.900 3.946
355 2HB SER 52 2HB SER 52 8.898 3.523 4.575
356 HG SER 52 HG SER 52 8.003 1.791 5.923
357 H ARG 53 H ARG 53 9.209 1.680 1.554
358 HA ARG 53 HA ARG 53 7.415 0.050 -0.037
359 1HB ARG 53 1HB ARG 53 9.755 0.438 -0.659
360 2HB ARG 53 2HB ARG 53 10.299 -0.365 0.814
361 1HG ARG 53 1HG ARG 53 10.487 -1.809 -1.058
362 2HG ARG 53 2HG ARG 53 9.330 -2.484 0.075
363 1HD ARG 53 1HD ARG 53 7.507 -1.606 -1.502
364 2HD ARG 53 2HD ARG 53 8.765 -1.151 -2.609
365 HE ARG 53 HE ARG 53 8.484 -3.942 -1.582
366 1HH1 ARG 53 2HH2 ARG 53 8.136 -2.140 -4.601
367 2HH1 ARG 53 1HH2 ARG 53 8.776 -3.454 -5.518
368 1HH2 ARG 53 2HH1 ARG 53 8.618 -5.625 -2.880
369 2HH2 ARG 53 1HH1 ARG 53 9.061 -5.457 -4.567
370 H GLU 54 H GLU 54 9.163 -0.420 2.995
371 HA GLU 54 HA GLU 54 8.428 -2.905 3.898
372 1HB GLU 54 1HB GLU 54 10.035 -1.664 4.973
373 2HB GLU 54 2HB GLU 54 9.179 -0.189 4.949
374 1HG GLU 54 1HG GLU 54 8.121 -2.318 6.799
375 2HG GLU 54 2HG GLU 54 9.698 -1.616 7.181
376 H SER 55 H SER 55 6.821 -0.018 5.106
377 HA SER 55 HA SER 55 4.683 -1.379 6.177
378 1HB SER 55 1HB SER 55 3.349 0.794 6.088
379 2HB SER 55 2HB SER 55 4.918 0.862 6.880
380 HG SER 55 HG SER 55 5.796 1.874 5.158
381 H CYS 56 H CYS 56 4.862 -0.263 2.870
382 HA CYS 56 HA CYS 56 2.130 -0.893 2.205
383 1HB CYS 56 1HB CYS 56 3.993 0.619 1.022
384 2HB CYS 56 2HB CYS 56 4.591 -0.866 0.366
385 H GLU 57 H GLU 57 5.190 -2.630 1.819
386 HA GLU 57 HA GLU 57 4.080 -4.856 0.443
387 1HB GLU 57 1HB GLU 57 6.670 -4.564 1.891
388 2HB GLU 57 2HB GLU 57 6.182 -6.032 1.014
389 1HG GLU 57 1HG GLU 57 5.781 -3.425 -0.470
390 2HG GLU 57 2HG GLU 57 7.388 -3.883 -0.071
391 H ASP 58 H ASP 58 4.371 -3.976 3.909
392 HA ASP 58 HA ASP 58 3.531 -6.637 4.769
393 1HB ASP 58 1HB ASP 58 4.794 -5.116 6.294
394 2HB ASP 58 2HB ASP 58 3.354 -4.074 6.374
395 H ALA 59 H ALA 59 1.838 -3.477 3.969
396 HA ALA 59 HA ALA 59 -0.669 -4.369 4.966
397 1HB ALA 59 1HB ALA 59 -0.152 -2.019 4.521
398 2HB ALA 59 2HB ALA 59 -0.027 -2.343 2.778
399 3HB ALA 59 3HB ALA 59 -1.586 -2.531 3.605
400 H CYS 60 H CYS 60 0.562 -4.310 1.566
401 HA CYS 60 HA CYS 60 -1.147 -6.622 0.990
402 1HB CYS 60 1HB CYS 60 -1.016 -4.169 -0.639
403 2HB CYS 60 2HB CYS 60 -1.210 -5.762 -1.390
404 HA PRO 61 HA PRO 61 3.098 -7.688 0.160
405 1HB PRO 61 1HB PRO 61 3.039 -10.208 1.198
406 2HB PRO 61 2HB PRO 61 2.609 -8.834 2.233
407 1HG PRO 61 1HG PRO 61 0.673 -10.598 0.696
408 2HG PRO 61 2HG PRO 61 0.716 -10.261 2.463
409 1HD PRO 61 1HD PRO 61 -0.785 -8.787 0.712
410 2HD PRO 61 2HD PRO 61 -0.034 -8.089 2.180
411 H VAL 62 H VAL 62 3.830 -9.916 -0.378
412 HA VAL 62 HA VAL 62 3.386 -11.080 -3.070
413 HB VAL 62 HB VAL 62 5.892 -11.007 -1.331
414 1HG1 VAL 62 1HG1 VAL 62 7.075 -11.539 -3.425
415 2HG1 VAL 62 2HG1 VAL 62 5.813 -12.739 -3.167
416 3HG1 VAL 62 3HG1 VAL 62 5.564 -11.435 -4.341
417 1HG2 VAL 62 1HG2 VAL 62 6.821 -9.236 -2.860
418 2HG2 VAL 62 2HG2 VAL 62 5.199 -9.033 -3.560
419 3HG2 VAL 62 3HG2 VAL 62 5.506 -8.638 -1.861
420 H VAL 63 H VAL 63 4.762 -13.346 -1.973
421 HA VAL 63 HA VAL 63 2.713 -14.787 -0.685
422 HB VAL 63 HB VAL 63 5.422 -15.235 0.467
423 1HG1 VAL 63 1HG1 VAL 63 3.237 -17.148 -0.402
424 2HG1 VAL 63 2HG1 VAL 63 4.759 -17.597 0.393
425 3HG1 VAL 63 3HG1 VAL 63 3.579 -16.609 1.259
426 1HG2 VAL 63 1HG2 VAL 63 6.023 -16.721 -1.491
427 2HG2 VAL 63 2HG2 VAL 63 4.630 -16.060 -2.373
428 3HG2 VAL 63 3HG2 VAL 63 5.998 -15.011 -1.916
429 H ASP 64 H ASP 64 1.804 -14.706 1.210
430 HA ASP 64 HA ASP 64 1.962 -12.230 2.653
431 1HB ASP 64 1HB ASP 64 -0.167 -13.500 2.191
432 2HB ASP 64 2HB ASP 64 0.258 -14.557 3.544
433 H HIS 65 H HIS 65 2.704 -11.705 4.570
434 HA HIS 65 HA HIS 65 4.715 -13.343 5.785
435 1HB HIS 65 1HB HIS 65 3.816 -10.574 6.656
436 2HB HIS 65 2HB HIS 65 5.405 -11.286 6.810
437 HD1 HIS 65 1HD HIS 65 5.292 -11.922 3.341
438 HD2 HIS 65 2HD HIS 65 4.580 -8.400 5.576
439 HE1 HIS 65 1HE HIS 65 5.502 -9.966 1.721
440 HE2 HIS 65 2HE HIS 65 4.889 -7.834 3.061
441 H HIS 66 H HIS 66 1.405 -12.568 6.153
442 HA HIS 66 HA HIS 66 1.029 -13.702 8.780
443 1HB HIS 66 1HB HIS 66 0.108 -11.579 9.759
444 2HB HIS 66 2HB HIS 66 1.822 -11.502 9.450
445 HD1 HIS 66 1HD HIS 66 0.092 -10.754 6.130
446 HD2 HIS 66 2HD HIS 66 1.442 -8.754 9.636
447 HE1 HIS 66 1HE HIS 66 0.091 -8.291 5.635
448 HE2 HIS 66 2HE HIS 66 1.084 -7.106 7.692
449 H HIS 67 H HIS 67 -1.464 -11.648 8.564
450 HA HIS 67 HA HIS 67 -2.863 -12.055 6.223
451 1HB HIS 67 1HB HIS 67 -3.124 -14.336 8.042
452 2HB HIS 67 2HB HIS 67 -4.629 -13.427 8.058
453 HD1 HIS 67 1HD HIS 67 -2.538 -13.633 4.832
454 HD2 HIS 67 2HD HIS 67 -6.168 -14.942 6.559
455 HE1 HIS 67 1HE HIS 67 -4.030 -14.357 2.934
456 HE2 HIS 67 2HE HIS 67 -6.244 -15.009 3.957
457 H HIS 68 H HIS 68 -4.905 -10.815 6.404
458 HA HIS 68 HA HIS 68 -4.561 -8.609 8.305
459 1HB HIS 68 1HB HIS 68 -6.839 -9.061 6.345
460 2HB HIS 68 2HB HIS 68 -6.366 -7.558 7.093
461 HD1 HIS 68 1HD HIS 68 -5.375 -10.003 4.323
462 HD2 HIS 68 2HD HIS 68 -5.090 -5.963 5.503
463 HE1 HIS 68 1HE HIS 68 -4.693 -8.619 2.257
464 HE2 HIS 68 2HE HIS 68 -4.638 -6.220 2.976
465 H HIS 69 H HIS 69 -5.013 -10.637 10.110
466 HA HIS 69 HA HIS 69 -7.736 -10.195 11.027
467 1HB HIS 69 1HB HIS 69 -7.416 -12.276 9.140
468 2HB HIS 69 2HB HIS 69 -7.355 -13.126 10.651
469 HD1 HIS 69 1HD HIS 69 -9.767 -13.488 11.849
470 HD2 HIS 69 2HD HIS 69 -9.653 -10.849 8.527
471 HE1 HIS 69 1HE HIS 69 -12.156 -13.407 10.827
472 HE2 HIS 69 2HE HIS 69 -11.994 -11.906 8.706
473 H HIS 70 H HIS 70 -8.209 -12.048 12.723
474 HA HIS 70 HA HIS 70 -6.058 -12.931 14.357
475 1HB HIS 70 1HB HIS 70 -6.672 -10.588 15.218
476 2HB HIS 70 2HB HIS 70 -8.307 -11.200 15.494
477 HD1 HIS 70 1HD HIS 70 -7.499 -13.993 16.750
478 HD2 HIS 70 2HD HIS 70 -5.836 -10.235 17.696
479 HE1 HIS 70 1HE HIS 70 -6.535 -14.199 19.174
480 HE2 HIS 70 2HE HIS 70 -5.508 -11.879 19.720
Start of MODEL 13
1 1H GLU 1 1H GLU 1 -8.069 -3.007 -15.500
2 2H GLU 1 2H GLU 1 -9.071 -4.251 -15.928
3 3H GLU 1 H GLU 1 -8.221 -4.325 -14.527
4 HA GLU 1 HA GLU 1 -9.425 -2.558 -13.560
5 1HB GLU 1 1HB GLU 1 -10.879 -2.417 -16.235
6 2HB GLU 1 2HB GLU 1 -11.391 -1.610 -14.752
7 1HG GLU 1 1HG GLU 1 -10.305 0.064 -15.955
8 2HG GLU 1 2HG GLU 1 -9.148 -0.413 -14.712
9 H ALA 2 H ALA 2 -9.284 -4.989 -12.954
10 HA ALA 2 HA ALA 2 -11.826 -5.694 -11.926
11 1HB ALA 2 1HB ALA 2 -11.913 -8.023 -12.807
12 2HB ALA 2 2HB ALA 2 -12.080 -6.852 -14.127
13 3HB ALA 2 3HB ALA 2 -10.525 -7.681 -13.864
14 H GLU 3 H GLU 3 -9.207 -4.818 -11.137
15 HA GLU 3 HA GLU 3 -8.167 -7.108 -9.530
16 1HB GLU 3 1HB GLU 3 -6.174 -5.237 -10.841
17 2HB GLU 3 2HB GLU 3 -5.948 -6.836 -10.190
18 1HG GLU 3 1HG GLU 3 -5.640 -7.079 -12.493
19 2HG GLU 3 2HG GLU 3 -7.243 -7.757 -12.195
20 H ALA 4 H ALA 4 -8.693 -3.648 -9.992
21 HA ALA 4 HA ALA 4 -7.266 -2.942 -7.465
22 1HB ALA 4 1HB ALA 4 -6.217 -2.089 -9.550
23 2HB ALA 4 2HB ALA 4 -7.736 -1.249 -9.932
24 3HB ALA 4 3HB ALA 4 -6.810 -0.804 -8.480
25 H GLU 5 H GLU 5 -10.270 -3.133 -8.990
26 HA GLU 5 HA GLU 5 -11.589 -0.844 -8.126
27 1HB GLU 5 1HB GLU 5 -12.552 -3.603 -8.969
28 2HB GLU 5 2HB GLU 5 -13.629 -2.240 -8.699
29 1HG GLU 5 1HG GLU 5 -13.181 -2.443 -11.066
30 2HG GLU 5 2HG GLU 5 -12.541 -0.927 -10.446
31 H PHE 6 H PHE 6 -11.437 -4.024 -6.341
32 HA PHE 6 HA PHE 6 -12.472 -2.607 -3.982
33 1HB PHE 6 1HB PHE 6 -14.531 -3.139 -5.220
34 2HB PHE 6 2HB PHE 6 -14.062 -4.831 -5.320
35 HD1 PHE 6 1HD PHE 6 -14.385 -6.332 -3.433
36 HD2 PHE 6 2HD PHE 6 -15.088 -2.099 -3.001
37 HE1 PHE 6 1HE PHE 6 -15.443 -6.733 -1.227
38 HE2 PHE 6 2HE PHE 6 -16.145 -2.502 -0.791
39 HZ PHE 6 HZ PHE 6 -16.323 -4.820 0.103
40 H THR 7 H THR 7 -11.325 -3.291 -2.343
41 HA THR 7 HA THR 7 -11.279 -5.584 -0.968
42 HB THR 7 HB THR 7 -8.992 -5.540 -2.927
43 HG1 THR 7 1HG THR 7 -10.797 -6.788 -3.343
44 1HG2 THR 7 1HG2 THR 7 -8.981 -7.056 -0.285
45 2HG2 THR 7 2HG2 THR 7 -7.982 -7.474 -1.689
46 3HG2 THR 7 3HG2 THR 7 -7.726 -5.929 -0.899
47 H ASP 8 H ASP 8 -8.925 -5.219 0.372
48 HA ASP 8 HA ASP 8 -9.225 -2.906 1.989
49 1HB ASP 8 1HB ASP 8 -7.860 -4.754 2.760
50 2HB ASP 8 2HB ASP 8 -6.781 -4.611 1.362
51 H ALA 9 H ALA 9 -7.687 -1.073 2.168
52 HA ALA 9 HA ALA 9 -7.773 0.588 -0.103
53 1HB ALA 9 1HB ALA 9 -5.770 0.745 2.191
54 2HB ALA 9 2HB ALA 9 -6.189 2.026 1.046
55 3HB ALA 9 3HB ALA 9 -7.411 1.458 2.200
56 H CYS 10 H CYS 10 -5.236 -1.781 0.847
57 HA CYS 10 HA CYS 10 -3.176 -0.726 -0.784
58 1HB CYS 10 1HB CYS 10 -2.120 -2.839 -0.544
59 2HB CYS 10 2HB CYS 10 -3.014 -2.520 0.938
60 H VAL 11 H VAL 11 -6.056 -2.552 -1.755
61 HA VAL 11 HA VAL 11 -5.058 -3.076 -4.455
62 HB VAL 11 HB VAL 11 -7.618 -3.559 -2.905
63 1HG1 VAL 11 1HG1 VAL 11 -8.603 -4.715 -4.830
64 2HG1 VAL 11 2HG1 VAL 11 -8.410 -2.992 -5.153
65 3HG1 VAL 11 3HG1 VAL 11 -7.259 -4.179 -5.820
66 1HG2 VAL 11 1HG2 VAL 11 -5.765 -5.105 -2.524
67 2HG2 VAL 11 2HG2 VAL 11 -6.960 -5.943 -3.526
68 3HG2 VAL 11 3HG2 VAL 11 -5.505 -5.294 -4.272
69 H LEU 12 H LEU 12 -6.769 -0.485 -2.827
70 HA LEU 12 HA LEU 12 -8.077 0.618 -5.096
71 1HB LEU 12 1HB LEU 12 -9.115 1.236 -3.388
72 2HB LEU 12 2HB LEU 12 -7.745 1.329 -2.262
73 HG LEU 12 HG LEU 12 -7.322 3.633 -3.208
74 1HD1 LEU 12 1HD1 LEU 12 -9.838 2.959 -4.798
75 2HD1 LEU 12 2HD1 LEU 12 -9.598 4.616 -4.236
76 3HD1 LEU 12 3HD1 LEU 12 -8.405 3.895 -5.294
77 1HD2 LEU 12 1HD2 LEU 12 -8.506 3.246 -1.115
78 2HD2 LEU 12 2HD2 LEU 12 -9.260 4.608 -1.972
79 3HD2 LEU 12 3HD2 LEU 12 -10.040 3.020 -1.980
80 HA PRO 13 HA PRO 13 -4.612 2.570 -7.102
81 1HB PRO 13 1HB PRO 13 -6.731 4.544 -7.895
82 2HB PRO 13 2HB PRO 13 -5.497 3.764 -8.921
83 1HG PRO 13 1HG PRO 13 -8.091 2.877 -8.934
84 2HG PRO 13 2HG PRO 13 -6.713 1.739 -9.041
85 1HD PRO 13 1HD PRO 13 -8.470 2.304 -6.660
86 2HD PRO 13 2HD PRO 13 -7.664 0.819 -7.126
87 H ALA 14 H ALA 14 -3.454 4.563 -6.977
88 HA ALA 14 HA ALA 14 -3.735 5.816 -4.303
89 1HB ALA 14 1HB ALA 14 -1.520 4.918 -4.985
90 2HB ALA 14 2HB ALA 14 -1.494 6.046 -6.366
91 3HB ALA 14 3HB ALA 14 -1.466 6.666 -4.701
92 H VAL 15 H VAL 15 -3.691 8.129 -4.072
93 HA VAL 15 HA VAL 15 -4.216 9.787 -6.449
94 HB VAL 15 HB VAL 15 -5.826 9.650 -3.904
95 1HG1 VAL 15 1HG1 VAL 15 -5.415 11.995 -4.142
96 2HG1 VAL 15 2HG1 VAL 15 -5.866 11.952 -5.871
97 3HG1 VAL 15 3HG1 VAL 15 -7.075 11.658 -4.599
98 1HG2 VAL 15 1HG2 VAL 15 -6.597 8.223 -5.828
99 2HG2 VAL 15 2HG2 VAL 15 -7.771 9.489 -5.445
100 3HG2 VAL 15 3HG2 VAL 15 -6.689 9.670 -6.844
101 H GLN 16 H GLN 16 -3.298 11.698 -6.195
102 HA GLN 16 HA GLN 16 -1.018 11.807 -4.330
103 1HB GLN 16 1HB GLN 16 -1.741 13.909 -6.418
104 2HB GLN 16 2HB GLN 16 -0.225 13.710 -5.530
105 1HG GLN 16 1HG GLN 16 -0.300 11.270 -6.657
106 2HG GLN 16 2HG GLN 16 -1.343 12.076 -7.820
107 1HE2 GLN 16 1HE2 GLN 16 0.251 14.727 -7.590
108 2HE2 GLN 16 2HE2 GLN 16 1.720 14.335 -8.461
109 H GLY 17 H GLY 17 -3.652 14.114 -5.220
110 1HA GLY 17 1HA GLY 17 -5.219 14.529 -3.265
111 2HA GLY 17 2HA GLY 17 -3.764 15.122 -2.440
112 HA PRO 18 HA PRO 18 -5.549 18.443 -5.265
113 1HB PRO 18 1HB PRO 18 -6.885 20.076 -3.536
114 2HB PRO 18 2HB PRO 18 -7.614 18.586 -4.205
115 1HG PRO 18 1HG PRO 18 -6.299 18.967 -1.500
116 2HG PRO 18 2HG PRO 18 -7.858 18.169 -1.873
117 1HD PRO 18 1HD PRO 18 -5.502 16.782 -1.535
118 2HD PRO 18 2HD PRO 18 -6.793 16.221 -2.629
119 H CYS 19 H CYS 19 -3.525 18.331 -2.474
120 HA CYS 19 HA CYS 19 -2.788 21.118 -2.429
121 1HB CYS 19 1HB CYS 19 -1.625 18.679 -1.081
122 2HB CYS 19 2HB CYS 19 -0.944 20.267 -0.862
123 H ARG 20 H ARG 20 -0.298 21.456 -2.316
124 HA ARG 20 HA ARG 20 0.786 20.784 -5.025
125 1HB ARG 20 1HB ARG 20 0.515 23.532 -3.740
126 2HB ARG 20 2HB ARG 20 1.609 23.146 -5.044
127 1HG ARG 20 1HG ARG 20 -0.257 24.122 -6.091
128 2HG ARG 20 2HG ARG 20 -0.320 22.409 -6.470
129 1HD ARG 20 1HD ARG 20 -2.542 23.400 -6.020
130 2HD ARG 20 2HD ARG 20 -2.180 22.081 -4.929
131 HE ARG 20 HE ARG 20 -1.404 24.664 -3.887
132 1HH1 ARG 20 2HH2 ARG 20 -4.175 22.400 -4.112
133 2HH1 ARG 20 1HH2 ARG 20 -5.104 23.189 -2.913
134 1HH2 ARG 20 2HH1 ARG 20 -2.646 25.675 -2.191
135 2HH2 ARG 20 1HH1 ARG 20 -4.184 25.038 -1.752
136 H GLY 21 H GLY 21 1.323 20.198 -2.069
137 1HA GLY 21 1HA GLY 21 4.258 20.737 -1.892
138 2HA GLY 21 2HA GLY 21 3.216 20.300 -0.494
139 H TRP 22 H TRP 22 5.475 18.529 -1.487
140 HA TRP 22 HA TRP 22 3.895 16.279 -2.517
141 1HB TRP 22 1HB TRP 22 6.590 17.217 -3.555
142 2HB TRP 22 2HB TRP 22 5.716 15.809 -4.105
143 HD1 TRP 22 HD TRP 22 6.552 18.966 -5.317
144 HE1 TRP 22 1HE TRP 22 4.837 20.120 -6.814
145 HE3 TRP 22 3HE TRP 22 2.421 16.128 -4.201
146 HZ2 TRP 22 2HZ TRP 22 2.040 19.866 -7.456
147 HZ3 TRP 22 3HZ TRP 22 0.240 16.649 -5.239
148 HH2 TRP 22 HH TRP 22 0.029 18.507 -6.859
149 H GLU 23 H GLU 23 4.096 14.780 -1.223
150 HA GLU 23 HA GLU 23 6.336 14.380 0.695
151 1HB GLU 23 1HB GLU 23 4.301 15.220 1.712
152 2HB GLU 23 2HB GLU 23 3.295 14.066 0.843
153 1HG GLU 23 1HG GLU 23 3.396 13.377 3.075
154 2HG GLU 23 2HG GLU 23 4.261 12.210 2.093
155 HA PRO 24 HA PRO 24 6.393 10.555 -1.965
156 1HB PRO 24 1HB PRO 24 8.645 9.396 -0.946
157 2HB PRO 24 2HB PRO 24 8.683 10.769 -2.096
158 1HG PRO 24 1HG PRO 24 8.945 10.861 0.926
159 2HG PRO 24 2HG PRO 24 9.971 11.673 -0.301
160 1HD PRO 24 1HD PRO 24 7.958 12.968 0.974
161 2HD PRO 24 2HD PRO 24 8.303 13.294 -0.746
162 H ARG 25 H ARG 25 5.069 8.978 -1.603
163 HA ARG 25 HA ARG 25 5.226 7.458 0.945
164 1HB ARG 25 1HB ARG 25 2.691 8.503 -0.399
165 2HB ARG 25 2HB ARG 25 2.658 7.176 0.760
166 1HG ARG 25 1HG ARG 25 3.695 9.980 1.378
167 2HG ARG 25 2HG ARG 25 2.118 9.333 1.806
168 1HD ARG 25 1HD ARG 25 3.159 7.544 3.130
169 2HD ARG 25 2HD ARG 25 4.768 8.156 2.773
170 HE ARG 25 HE ARG 25 2.769 9.345 4.547
171 1HH1 ARG 25 2HH2 ARG 25 5.910 9.845 2.837
172 2HH1 ARG 25 1HH2 ARG 25 6.279 11.255 3.713
173 1HH2 ARG 25 2HH1 ARG 25 3.432 11.222 5.823
174 2HH2 ARG 25 1HH1 ARG 25 4.855 12.062 5.334
175 H TRP 26 H TRP 26 3.775 5.364 0.576
176 HA TRP 26 HA TRP 26 4.683 4.179 -2.011
177 1HB TRP 26 1HB TRP 26 4.825 3.161 0.850
178 2HB TRP 26 2HB TRP 26 4.820 2.062 -0.526
179 HD1 TRP 26 HD TRP 26 6.968 4.867 1.022
180 HE1 TRP 26 1HE TRP 26 9.328 4.760 0.054
181 HE3 TRP 26 3HE TRP 26 6.264 1.057 -2.291
182 HZ2 TRP 26 2HZ TRP 26 10.729 3.236 -2.025
183 HZ3 TRP 26 3HZ TRP 26 8.013 0.533 -3.977
184 HH2 TRP 26 HH TRP 26 10.262 1.459 -3.746
185 H ALA 27 H ALA 27 3.137 2.872 -3.063
186 HA ALA 27 HA ALA 27 0.617 2.337 -1.617
187 1HB ALA 27 1HB ALA 27 0.003 4.249 -2.966
188 2HB ALA 27 2HB ALA 27 0.795 3.549 -4.411
189 3HB ALA 27 3HB ALA 27 -0.653 2.801 -3.723
190 H TYR 28 H TYR 28 -0.362 0.449 -2.283
191 HA TYR 28 HA TYR 28 1.405 -1.494 -3.651
192 1HB TYR 28 1HB TYR 28 0.248 -2.090 -1.517
193 2HB TYR 28 2HB TYR 28 -1.267 -1.762 -2.246
194 HD1 TYR 28 1HD TYR 28 -2.080 -3.253 -4.223
195 HD2 TYR 28 2HD TYR 28 1.230 -4.300 -1.652
196 HE1 TYR 28 1HE TYR 28 -2.298 -5.606 -4.894
197 HE2 TYR 28 2HE TYR 28 1.058 -6.640 -2.406
198 HH TYR 28 HH TYR 28 -0.610 -8.183 -3.372
199 H SER 29 H SER 29 0.913 -2.325 -5.687
200 HA SER 29 HA SER 29 -1.533 -1.350 -7.036
201 1HB SER 29 1HB SER 29 1.321 -1.350 -7.951
202 2HB SER 29 2HB SER 29 0.031 -1.322 -9.129
203 HG SER 29 HG SER 29 -0.535 0.281 -7.018
204 HA PRO 30 HA PRO 30 -1.817 -5.854 -7.106
205 1HB PRO 30 1HB PRO 30 -4.372 -6.056 -8.133
206 2HB PRO 30 2HB PRO 30 -4.020 -5.730 -6.413
207 1HG PRO 30 1HG PRO 30 -4.750 -3.761 -8.578
208 2HG PRO 30 2HG PRO 30 -5.318 -3.826 -6.879
209 1HD PRO 30 1HD PRO 30 -3.370 -2.127 -7.720
210 2HD PRO 30 2HD PRO 30 -3.392 -2.816 -6.072
211 H LEU 31 H LEU 31 -2.765 -3.665 -9.777
212 HA LEU 31 HA LEU 31 -2.395 -5.431 -11.950
213 1HB LEU 31 1HB LEU 31 -2.324 -2.449 -11.628
214 2HB LEU 31 2HB LEU 31 -1.876 -3.169 -13.167
215 HG LEU 31 HG LEU 31 -4.466 -3.998 -11.819
216 1HD1 LEU 31 1HD1 LEU 31 -4.077 -1.613 -13.659
217 2HD1 LEU 31 2HD1 LEU 31 -5.628 -2.278 -13.094
218 3HD1 LEU 31 3HD1 LEU 31 -4.514 -1.556 -11.923
219 1HD2 LEU 31 1HD2 LEU 31 -3.502 -3.889 -14.729
220 2HD2 LEU 31 2HD2 LEU 31 -3.725 -5.358 -13.748
221 3HD2 LEU 31 3HD2 LEU 31 -5.116 -4.380 -14.220
222 H LEU 32 H LEU 32 -0.021 -3.919 -9.906
223 HA LEU 32 HA LEU 32 2.196 -4.683 -11.764
224 1HB LEU 32 1HB LEU 32 1.894 -2.777 -9.454
225 2HB LEU 32 2HB LEU 32 3.486 -3.296 -9.917
226 HG LEU 32 HG LEU 32 1.579 -1.987 -11.898
227 1HD1 LEU 32 1HD1 LEU 32 2.957 0.060 -11.591
228 2HD1 LEU 32 2HD1 LEU 32 2.066 -0.376 -10.136
229 3HD1 LEU 32 3HD1 LEU 32 3.814 -0.727 -10.246
230 1HD2 LEU 32 1HD2 LEU 32 3.661 -1.592 -13.205
231 2HD2 LEU 32 2HD2 LEU 32 4.596 -2.495 -11.988
232 3HD2 LEU 32 3HD2 LEU 32 3.362 -3.309 -12.974
233 H GLN 33 H GLN 33 0.346 -5.840 -9.272
234 HA GLN 33 HA GLN 33 0.458 -7.131 -7.518
235 1HB GLN 33 1HB GLN 33 0.867 -8.616 -9.571
236 2HB GLN 33 2HB GLN 33 2.565 -8.664 -9.086
237 1HG GLN 33 1HG GLN 33 0.958 -9.216 -6.769
238 2HG GLN 33 2HG GLN 33 0.277 -10.165 -8.076
239 1HE2 GLN 33 1HE2 GLN 33 2.163 -11.236 -9.523
240 2HE2 GLN 33 2HE2 GLN 33 3.341 -12.121 -8.569
241 H GLN 34 H GLN 34 2.025 -4.809 -7.152
242 HA GLN 34 HA GLN 34 3.996 -5.672 -5.176
243 1HB GLN 34 1HB GLN 34 4.989 -5.912 -7.626
244 2HB GLN 34 2HB GLN 34 5.019 -4.142 -7.592
245 1HG GLN 34 1HG GLN 34 6.565 -4.212 -5.686
246 2HG GLN 34 2HG GLN 34 6.506 -5.980 -5.696
247 1HE2 GLN 34 1HE2 GLN 34 6.482 -6.036 -8.796
248 2HE2 GLN 34 2HE2 GLN 34 8.145 -5.668 -9.201
249 H CYS 35 H CYS 35 5.184 -3.621 -4.391
250 HA CYS 35 HA CYS 35 3.287 -1.318 -4.424
251 1HB CYS 35 1HB CYS 35 5.510 -1.960 -2.473
252 2HB CYS 35 2HB CYS 35 4.472 -0.538 -2.432
253 H HIS 36 H HIS 36 3.957 0.705 -4.795
254 HA HIS 36 HA HIS 36 6.742 1.144 -5.781
255 1HB HIS 36 1HB HIS 36 5.982 2.384 -7.723
256 2HB HIS 36 2HB HIS 36 5.362 0.747 -7.778
257 HD1 HIS 36 1HD HIS 36 4.116 4.360 -7.034
258 HD2 HIS 36 2HD HIS 36 2.663 0.466 -7.974
259 HE1 HIS 36 1HE HIS 36 1.588 4.563 -7.477
260 HE2 HIS 36 2HE HIS 36 0.769 2.131 -8.029
261 HA PRO 37 HA PRO 37 6.197 4.862 -3.360
262 1HB PRO 37 1HB PRO 37 7.969 6.582 -4.752
263 2HB PRO 37 2HB PRO 37 8.354 5.546 -3.356
264 1HG PRO 37 1HG PRO 37 9.222 5.214 -6.110
265 2HG PRO 37 2HG PRO 37 9.616 4.204 -4.692
266 1HD PRO 37 1HD PRO 37 7.664 3.721 -6.838
267 2HD PRO 37 2HD PRO 37 8.347 2.579 -5.647
268 H PHE 38 H PHE 38 5.420 7.267 -3.711
269 HA PHE 38 HA PHE 38 4.703 8.002 -6.380
270 1HB PHE 38 1HB PHE 38 2.365 8.047 -6.255
271 2HB PHE 38 2HB PHE 38 2.809 6.417 -5.827
272 HD1 PHE 38 1HD PHE 38 2.845 5.833 -3.223
273 HD2 PHE 38 2HD PHE 38 0.864 9.276 -4.927
274 HE1 PHE 38 1HE PHE 38 1.246 5.912 -1.308
275 HE2 PHE 38 2HE PHE 38 -0.669 9.334 -3.008
276 HZ PHE 38 HZ PHE 38 -0.505 7.629 -1.210
277 H VAL 39 H VAL 39 3.635 10.196 -6.320
278 HA VAL 39 HA VAL 39 4.754 11.791 -4.103
279 HB VAL 39 HB VAL 39 3.703 12.377 -6.903
280 1HG1 VAL 39 1HG1 VAL 39 2.773 14.165 -5.640
281 2HG1 VAL 39 2HG1 VAL 39 4.222 14.322 -4.637
282 3HG1 VAL 39 3HG1 VAL 39 4.252 14.810 -6.353
283 1HG2 VAL 39 1HG2 VAL 39 6.366 12.951 -5.530
284 2HG2 VAL 39 2HG2 VAL 39 6.062 11.647 -6.702
285 3HG2 VAL 39 3HG2 VAL 39 5.946 13.335 -7.213
286 H TYR 40 H TYR 40 3.429 12.026 -2.408
287 HA TYR 40 HA TYR 40 0.484 12.026 -2.790
288 1HB TYR 40 1HB TYR 40 1.074 10.248 -1.352
289 2HB TYR 40 2HB TYR 40 2.341 11.139 -0.574
290 HD1 TYR 40 1HD TYR 40 2.004 11.850 1.556
291 HD2 TYR 40 2HD TYR 40 -1.393 11.472 -1.085
292 HE1 TYR 40 1HE TYR 40 0.539 12.571 3.370
293 HE2 TYR 40 2HE TYR 40 -2.868 12.326 0.689
294 HH TYR 40 HH TYR 40 -2.845 13.445 2.737
295 H GLY 41 H GLY 41 -0.570 13.847 -1.564
296 1HA GLY 41 1HA GLY 41 1.130 16.243 -1.808
297 2HA GLY 41 2HA GLY 41 -0.600 16.190 -1.863
298 H GLY 42 H GLY 42 0.297 14.375 0.826
299 1HA GLY 42 1HA GLY 42 0.536 14.751 3.048
300 2HA GLY 42 2HA GLY 42 1.018 16.424 2.727
301 H CYS 43 H CYS 43 -1.823 16.293 1.245
302 HA CYS 43 HA CYS 43 -3.610 16.604 3.558
303 1HB CYS 43 1HB CYS 43 -4.663 18.423 2.633
304 2HB CYS 43 2HB CYS 43 -2.961 18.747 2.432
305 H GLU 44 H GLU 44 -5.999 16.598 2.130
306 HA GLU 44 HA GLU 44 -6.888 14.109 2.207
307 1HB GLU 44 1HB GLU 44 -7.698 15.927 -0.066
308 2HB GLU 44 2HB GLU 44 -8.614 14.609 0.659
309 1HG GLU 44 1HG GLU 44 -9.568 16.400 1.690
310 2HG GLU 44 2HG GLU 44 -8.381 15.948 2.896
311 H GLY 45 H GLY 45 -6.802 12.157 1.096
312 1HA GLY 45 1HA GLY 45 -6.016 11.750 -1.603
313 2HA GLY 45 2HA GLY 45 -4.700 11.395 -0.485
314 H ASN 46 H ASN 46 -5.368 9.063 -1.469
315 HA ASN 46 HA ASN 46 -7.780 8.018 -0.077
316 1HB ASN 46 1HB ASN 46 -5.977 6.384 -1.872
317 2HB ASN 46 2HB ASN 46 -7.565 5.988 -1.299
318 1HD2 ASN 46 1HD2 ASN 46 -7.331 5.650 -4.007
319 2HD2 ASN 46 2HD2 ASN 46 -8.209 6.974 -4.730
320 H GLY 47 H GLY 47 -7.370 5.661 0.588
321 1HA GLY 47 1HA GLY 47 -5.693 5.867 2.999
322 2HA GLY 47 2HA GLY 47 -6.851 4.582 2.632
323 H ASN 48 H ASN 48 -5.187 4.633 -0.156
324 HA ASN 48 HA ASN 48 -3.396 2.437 0.600
325 1HB ASN 48 1HB ASN 48 -4.716 2.491 -1.543
326 2HB ASN 48 2HB ASN 48 -3.774 3.790 -2.105
327 1HD2 ASN 48 1HD2 ASN 48 -3.755 1.452 -3.529
328 2HD2 ASN 48 2HD2 ASN 48 -2.345 0.463 -3.353
329 H ASN 49 H ASN 49 -2.307 3.859 2.156
330 HA ASN 49 HA ASN 49 -0.129 5.468 0.892
331 1HB ASN 49 1HB ASN 49 -2.115 6.854 1.702
332 2HB ASN 49 2HB ASN 49 -1.790 6.272 3.330
333 1HD2 ASN 49 1HD2 ASN 49 -1.462 8.920 1.538
334 2HD2 ASN 49 2HD2 ASN 49 0.021 9.582 2.152
335 H PHE 50 H PHE 50 1.574 4.267 1.396
336 HA PHE 50 HA PHE 50 1.831 3.091 4.088
337 1HB PHE 50 1HB PHE 50 2.946 2.141 1.434
338 2HB PHE 50 2HB PHE 50 3.444 1.498 2.932
339 HD1 PHE 50 1HD PHE 50 1.832 0.287 4.465
340 HD2 PHE 50 2HD PHE 50 0.609 1.655 0.554
341 HE1 PHE 50 1HE PHE 50 -0.297 -0.964 4.675
342 HE2 PHE 50 2HE PHE 50 -1.477 0.329 0.766
343 HZ PHE 50 HZ PHE 50 -1.961 -0.930 2.822
344 H HIS 51 H HIS 51 3.922 2.953 4.863
345 HA HIS 51 HA HIS 51 5.188 5.612 4.759
346 1HB HIS 51 1HB HIS 51 5.816 3.278 6.607
347 2HB HIS 51 2HB HIS 51 5.949 4.988 6.916
348 HD1 HIS 51 1HD HIS 51 3.777 2.138 7.673
349 HD2 HIS 51 2HD HIS 51 3.085 6.121 6.430
350 HE1 HIS 51 1HE HIS 51 1.239 2.577 7.929
351 HE2 HIS 51 2HE HIS 51 0.841 4.995 7.159
352 H SER 52 H SER 52 5.734 2.429 3.644
353 HA SER 52 HA SER 52 8.405 3.025 2.642
354 1HB SER 52 1HB SER 52 9.325 0.977 4.010
355 2HB SER 52 2HB SER 52 9.196 2.541 4.814
356 HG SER 52 HG SER 52 8.280 0.554 5.946
357 H ARG 53 H ARG 53 9.269 1.204 1.529
358 HA ARG 53 HA ARG 53 7.457 -0.279 -0.137
359 1HB ARG 53 1HB ARG 53 9.738 0.332 -0.791
360 2HB ARG 53 2HB ARG 53 10.400 -0.637 0.525
361 1HG ARG 53 1HG ARG 53 10.570 -1.791 -1.537
362 2HG ARG 53 2HG ARG 53 9.499 -2.685 -0.471
363 1HD ARG 53 1HD ARG 53 7.584 -1.560 -1.839
364 2HD ARG 53 2HD ARG 53 8.826 -1.059 -2.951
365 HE ARG 53 HE ARG 53 8.561 -3.912 -2.122
366 1HH1 ARG 53 2HH2 ARG 53 8.282 -1.822 -4.992
367 2HH1 ARG 53 1HH2 ARG 53 8.985 -3.050 -6.006
368 1HH2 ARG 53 2HH1 ARG 53 8.978 -5.455 -3.484
369 2HH2 ARG 53 1HH1 ARG 53 9.279 -5.159 -5.202
370 H GLU 54 H GLU 54 9.438 -1.122 2.649
371 HA GLU 54 HA GLU 54 8.825 -3.778 3.136
372 1HB GLU 54 1HB GLU 54 10.562 -2.787 4.256
373 2HB GLU 54 2HB GLU 54 9.760 -1.327 4.620
374 1HG GLU 54 1HG GLU 54 8.993 -3.907 6.049
375 2HG GLU 54 2HG GLU 54 10.437 -3.003 6.519
376 H SER 55 H SER 55 7.420 -1.171 5.014
377 HA SER 55 HA SER 55 5.412 -2.679 6.047
378 1HB SER 55 1HB SER 55 4.104 -0.680 6.636
379 2HB SER 55 2HB SER 55 5.821 -0.548 7.019
380 HG SER 55 HG SER 55 6.129 0.820 5.379
381 H CYS 56 H CYS 56 5.210 -1.231 2.887
382 HA CYS 56 HA CYS 56 2.418 -1.797 2.464
383 1HB CYS 56 1HB CYS 56 4.098 -0.166 1.231
384 2HB CYS 56 2HB CYS 56 4.752 -1.565 0.466
385 H GLU 57 H GLU 57 5.375 -3.480 1.429
386 HA GLU 57 HA GLU 57 3.879 -5.654 0.223
387 1HB GLU 57 1HB GLU 57 6.824 -5.440 0.989
388 2HB GLU 57 2HB GLU 57 6.084 -6.842 0.191
389 1HG GLU 57 1HG GLU 57 5.148 -5.104 -1.532
390 2HG GLU 57 2HG GLU 57 6.391 -4.025 -0.902
391 H ASP 58 H ASP 58 5.066 -5.017 3.518
392 HA ASP 58 HA ASP 58 4.336 -7.729 4.324
393 1HB ASP 58 1HB ASP 58 6.136 -6.294 5.451
394 2HB ASP 58 2HB ASP 58 4.793 -5.418 6.221
395 H ALA 59 H ALA 59 2.581 -4.550 3.970
396 HA ALA 59 HA ALA 59 0.434 -5.391 5.660
397 1HB ALA 59 1HB ALA 59 -0.871 -3.674 4.460
398 2HB ALA 59 2HB ALA 59 0.690 -3.062 5.033
399 3HB ALA 59 3HB ALA 59 0.456 -3.447 3.311
400 H CYS 60 H CYS 60 0.682 -5.369 2.053
401 HA CYS 60 HA CYS 60 -1.512 -7.405 2.060
402 1HB CYS 60 1HB CYS 60 -0.853 -5.236 0.123
403 2HB CYS 60 2HB CYS 60 -1.768 -6.668 -0.366
404 HA PRO 61 HA PRO 61 1.817 -10.035 0.484
405 1HB PRO 61 1HB PRO 61 0.896 -12.446 1.379
406 2HB PRO 61 2HB PRO 61 1.643 -11.257 2.472
407 1HG PRO 61 1HG PRO 61 -1.316 -11.720 1.941
408 2HG PRO 61 2HG PRO 61 -0.490 -11.608 3.530
409 1HD PRO 61 1HD PRO 61 -1.759 -9.482 2.352
410 2HD PRO 61 2HD PRO 61 -0.302 -9.285 3.369
411 H VAL 62 H VAL 62 1.695 -12.048 -0.700
412 HA VAL 62 HA VAL 62 -0.362 -13.060 -2.368
413 HB VAL 62 HB VAL 62 2.047 -11.955 -3.817
414 1HG1 VAL 62 1HG1 VAL 62 -0.821 -12.528 -4.721
415 2HG1 VAL 62 2HG1 VAL 62 0.543 -12.141 -5.777
416 3HG1 VAL 62 3HG1 VAL 62 0.519 -13.667 -4.897
417 1HG2 VAL 62 1HG2 VAL 62 0.799 -10.016 -4.687
418 2HG2 VAL 62 2HG2 VAL 62 -0.505 -10.333 -3.532
419 3HG2 VAL 62 3HG2 VAL 62 1.117 -9.856 -2.966
420 H VAL 63 H VAL 63 1.723 -14.342 -3.850
421 HA VAL 63 HA VAL 63 2.757 -16.222 -1.916
422 HB VAL 63 HB VAL 63 4.429 -15.631 -4.336
423 1HG1 VAL 63 1HG1 VAL 63 4.752 -18.068 -4.339
424 2HG1 VAL 63 2HG1 VAL 63 5.147 -17.366 -2.767
425 3HG1 VAL 63 3HG1 VAL 63 3.607 -18.230 -2.994
426 1HG2 VAL 63 1HG2 VAL 63 2.202 -15.625 -5.371
427 2HG2 VAL 63 2HG2 VAL 63 2.990 -17.156 -5.741
428 3HG2 VAL 63 3HG2 VAL 63 1.746 -17.095 -4.474
429 H ASP 64 H ASP 64 4.659 -16.016 -0.640
430 HA ASP 64 HA ASP 64 5.203 -13.386 0.190
431 1HB ASP 64 1HB ASP 64 5.613 -15.254 1.694
432 2HB ASP 64 2HB ASP 64 7.014 -15.751 0.729
433 H HIS 65 H HIS 65 6.135 -11.771 -0.886
434 HA HIS 65 HA HIS 65 8.191 -12.125 -2.830
435 1HB HIS 65 1HB HIS 65 7.328 -9.657 -1.228
436 2HB HIS 65 2HB HIS 65 8.395 -9.645 -2.616
437 HD1 HIS 65 1HD HIS 65 6.066 -7.826 -3.095
438 HD2 HIS 65 2HD HIS 65 5.857 -12.004 -3.823
439 HE1 HIS 65 1HE HIS 65 4.020 -8.234 -4.564
440 HE2 HIS 65 2HE HIS 65 3.949 -10.707 -5.120
441 H HIS 66 H HIS 66 9.817 -13.239 -1.963
442 HA HIS 66 HA HIS 66 10.541 -14.041 0.290
443 1HB HIS 66 1HB HIS 66 11.753 -14.477 -1.811
444 2HB HIS 66 2HB HIS 66 12.717 -13.021 -1.546
445 HD1 HIS 66 1HD HIS 66 12.171 -16.545 -0.052
446 HD2 HIS 66 2HD HIS 66 14.670 -13.146 0.281
447 HE1 HIS 66 1HE HIS 66 14.145 -17.232 1.463
448 HE2 HIS 66 2HE HIS 66 15.669 -15.154 1.648
449 H HIS 67 H HIS 67 9.996 -12.942 1.973
450 HA HIS 67 HA HIS 67 12.163 -11.712 3.413
451 1HB HIS 67 1HB HIS 67 11.201 -9.736 4.152
452 2HB HIS 67 2HB HIS 67 11.013 -9.696 2.419
453 HD1 HIS 67 1HD HIS 67 8.233 -10.691 1.771
454 HD2 HIS 67 2HD HIS 67 9.166 -8.833 5.470
455 HE1 HIS 67 1HE HIS 67 6.008 -9.836 2.792
456 HE2 HIS 67 2HE HIS 67 6.609 -8.809 5.098
457 H HIS 68 H HIS 68 8.791 -11.594 4.391
458 HA HIS 68 HA HIS 68 8.046 -14.110 5.028
459 1HB HIS 68 1HB HIS 68 9.750 -14.444 6.758
460 2HB HIS 68 2HB HIS 68 9.575 -12.789 7.331
461 HD1 HIS 68 1HD HIS 68 7.503 -16.096 7.425
462 HD2 HIS 68 2HD HIS 68 7.687 -12.222 9.094
463 HE1 HIS 68 1HE HIS 68 5.619 -15.927 9.188
464 HE2 HIS 68 2HE HIS 68 5.677 -13.591 10.113
465 H HIS 69 H HIS 69 6.001 -13.104 4.399
466 HA HIS 69 HA HIS 69 5.050 -10.626 5.363
467 1HB HIS 69 1HB HIS 69 3.655 -11.966 3.824
468 2HB HIS 69 2HB HIS 69 3.431 -13.202 5.070
469 HD1 HIS 69 1HD HIS 69 2.007 -12.200 7.452
470 HD2 HIS 69 2HD HIS 69 2.240 -9.679 4.044
471 HE1 HIS 69 1HE HIS 69 0.350 -10.374 7.774
472 HE2 HIS 69 2HE HIS 69 0.579 -8.779 5.722
473 H HIS 70 H HIS 70 4.662 -9.909 7.467
474 HA HIS 70 HA HIS 70 5.474 -11.059 9.731
475 1HB HIS 70 1HB HIS 70 4.668 -8.837 9.744
476 2HB HIS 70 2HB HIS 70 3.032 -9.328 9.311
477 HD1 HIS 70 1HD HIS 70 3.631 -11.661 11.914
478 HD2 HIS 70 2HD HIS 70 3.073 -7.486 11.636
479 HE1 HIS 70 1HE HIS 70 2.811 -10.870 14.261
480 HE2 HIS 70 2HE HIS 70 2.470 -8.305 14.065
Start of MODEL 14
1 1H GLU 1 1H GLU 1 -12.620 -14.656 -5.642
2 2H GLU 1 2H GLU 1 -11.914 -13.924 -6.928
3 3H GLU 1 H GLU 1 -12.752 -12.993 -5.854
4 HA GLU 1 HA GLU 1 -11.166 -13.744 -4.118
5 1HB GLU 1 1HB GLU 1 -9.681 -14.580 -6.642
6 2HB GLU 1 2HB GLU 1 -8.875 -14.308 -5.099
7 1HG GLU 1 1HG GLU 1 -9.364 -16.725 -5.565
8 2HG GLU 1 2HG GLU 1 -10.011 -16.119 -4.031
9 H ALA 2 H ALA 2 -8.819 -12.394 -4.227
10 HA ALA 2 HA ALA 2 -8.977 -10.057 -5.897
11 1HB ALA 2 1HB ALA 2 -8.846 -9.870 -2.846
12 2HB ALA 2 2HB ALA 2 -8.668 -8.516 -3.982
13 3HB ALA 2 3HB ALA 2 -10.222 -9.346 -3.842
14 H GLU 3 H GLU 3 -6.737 -8.845 -4.672
15 HA GLU 3 HA GLU 3 -4.509 -10.229 -5.572
16 1HB GLU 3 1HB GLU 3 -4.685 -8.299 -3.203
17 2HB GLU 3 2HB GLU 3 -3.209 -8.722 -4.074
18 1HG GLU 3 1HG GLU 3 -5.635 -7.277 -5.245
19 2HG GLU 3 2HG GLU 3 -4.138 -6.524 -4.729
20 H ALA 4 H ALA 4 -5.746 -10.065 -2.218
21 HA ALA 4 HA ALA 4 -4.556 -12.679 -1.656
22 1HB ALA 4 1HB ALA 4 -4.110 -11.987 0.666
23 2HB ALA 4 2HB ALA 4 -3.240 -10.934 -0.463
24 3HB ALA 4 3HB ALA 4 -4.733 -10.356 0.310
25 H GLU 5 H GLU 5 -5.732 -13.522 0.498
26 HA GLU 5 HA GLU 5 -8.526 -13.781 -0.087
27 1HB GLU 5 1HB GLU 5 -7.071 -14.357 2.542
28 2HB GLU 5 2HB GLU 5 -8.644 -14.959 2.036
29 1HG GLU 5 1HG GLU 5 -7.476 -16.800 1.497
30 2HG GLU 5 2HG GLU 5 -7.220 -15.952 -0.024
31 H PHE 6 H PHE 6 -6.695 -11.386 1.513
32 HA PHE 6 HA PHE 6 -9.044 -10.117 2.825
33 1HB PHE 6 1HB PHE 6 -7.286 -10.635 4.433
34 2HB PHE 6 2HB PHE 6 -6.049 -9.975 3.370
35 HD1 PHE 6 1HD PHE 6 -9.256 -8.845 5.038
36 HD2 PHE 6 2HD PHE 6 -5.213 -7.844 3.866
37 HE1 PHE 6 1HE PHE 6 -9.503 -6.591 6.050
38 HE2 PHE 6 2HE PHE 6 -5.463 -5.628 4.911
39 HZ PHE 6 HZ PHE 6 -7.611 -4.982 5.988
40 H THR 7 H THR 7 -8.917 -7.609 2.590
41 HA THR 7 HA THR 7 -7.388 -6.565 0.386
42 HB THR 7 HB THR 7 -10.388 -7.027 0.204
43 HG1 THR 7 1HG THR 7 -8.471 -8.322 -0.736
44 1HG2 THR 7 1HG2 THR 7 -10.382 -5.590 -1.845
45 2HG2 THR 7 2HG2 THR 7 -10.173 -4.669 -0.347
46 3HG2 THR 7 3HG2 THR 7 -8.773 -4.990 -1.385
47 H ASP 8 H ASP 8 -6.917 -4.527 0.884
48 HA ASP 8 HA ASP 8 -8.457 -2.885 2.773
49 1HB ASP 8 1HB ASP 8 -6.571 -3.758 3.904
50 2HB ASP 8 2HB ASP 8 -5.530 -3.656 2.516
51 H ALA 9 H ALA 9 -7.335 -0.578 2.447
52 HA ALA 9 HA ALA 9 -8.033 0.623 -0.030
53 1HB ALA 9 1HB ALA 9 -5.906 1.446 2.003
54 2HB ALA 9 2HB ALA 9 -6.702 2.487 0.805
55 3HB ALA 9 3HB ALA 9 -7.642 1.807 2.157
56 H CYS 10 H CYS 10 -5.035 -1.078 0.978
57 HA CYS 10 HA CYS 10 -3.194 -0.254 -0.882
58 1HB CYS 10 1HB CYS 10 -2.252 -2.481 -0.631
59 2HB CYS 10 2HB CYS 10 -2.892 -1.880 0.897
60 H VAL 11 H VAL 11 -6.042 -2.325 -1.650
61 HA VAL 11 HA VAL 11 -5.025 -2.904 -4.333
62 HB VAL 11 HB VAL 11 -7.841 -3.282 -3.240
63 1HG1 VAL 11 1HG1 VAL 11 -7.720 -3.499 -5.708
64 2HG1 VAL 11 2HG1 VAL 11 -6.371 -4.646 -5.550
65 3HG1 VAL 11 3HG1 VAL 11 -7.989 -5.070 -4.953
66 1HG2 VAL 11 1HG2 VAL 11 -7.052 -5.677 -2.878
67 2HG2 VAL 11 2HG2 VAL 11 -5.394 -5.114 -3.157
68 3HG2 VAL 11 3HG2 VAL 11 -6.334 -4.505 -1.778
69 H LEU 12 H LEU 12 -6.624 -0.230 -2.915
70 HA LEU 12 HA LEU 12 -7.958 0.802 -5.246
71 1HB LEU 12 1HB LEU 12 -9.079 1.472 -3.641
72 2HB LEU 12 2HB LEU 12 -7.853 1.480 -2.397
73 HG LEU 12 HG LEU 12 -7.230 3.795 -3.335
74 1HD1 LEU 12 1HD1 LEU 12 -9.759 3.220 -4.969
75 2HD1 LEU 12 2HD1 LEU 12 -9.392 4.865 -4.440
76 3HD1 LEU 12 3HD1 LEU 12 -8.247 4.027 -5.473
77 1HD2 LEU 12 1HD2 LEU 12 -9.963 3.158 -2.138
78 2HD2 LEU 12 2HD2 LEU 12 -8.439 3.400 -1.275
79 3HD2 LEU 12 3HD2 LEU 12 -9.212 4.763 -2.109
80 HA PRO 13 HA PRO 13 -4.263 2.519 -7.040
81 1HB PRO 13 1HB PRO 13 -6.213 4.566 -8.057
82 2HB PRO 13 2HB PRO 13 -4.953 3.683 -8.960
83 1HG PRO 13 1HG PRO 13 -7.589 2.946 -9.132
84 2HG PRO 13 2HG PRO 13 -6.274 1.730 -9.115
85 1HD PRO 13 1HD PRO 13 -8.153 2.459 -6.872
86 2HD PRO 13 2HD PRO 13 -7.401 0.911 -7.260
87 H ALA 14 H ALA 14 -3.021 4.425 -6.884
88 HA ALA 14 HA ALA 14 -3.380 5.871 -4.345
89 1HB ALA 14 1HB ALA 14 -1.117 6.707 -4.832
90 2HB ALA 14 2HB ALA 14 -1.166 4.942 -4.943
91 3HB ALA 14 3HB ALA 14 -1.143 5.936 -6.428
92 H VAL 15 H VAL 15 -3.192 8.250 -4.286
93 HA VAL 15 HA VAL 15 -3.747 9.747 -6.744
94 HB VAL 15 HB VAL 15 -5.479 9.643 -4.263
95 1HG1 VAL 15 1HG1 VAL 15 -5.482 11.931 -6.251
96 2HG1 VAL 15 2HG1 VAL 15 -6.758 11.599 -5.056
97 3HG1 VAL 15 3HG1 VAL 15 -5.148 11.996 -4.495
98 1HG2 VAL 15 1HG2 VAL 15 -6.181 9.606 -7.239
99 2HG2 VAL 15 2HG2 VAL 15 -6.145 8.187 -6.177
100 3HG2 VAL 15 3HG2 VAL 15 -7.339 9.460 -5.896
101 H GLN 16 H GLN 16 -3.056 11.854 -6.500
102 HA GLN 16 HA GLN 16 -0.878 12.310 -4.582
103 1HB GLN 16 1HB GLN 16 -1.961 13.865 -6.957
104 2HB GLN 16 2HB GLN 16 -0.886 14.635 -5.776
105 1HG GLN 16 1HG GLN 16 0.831 13.011 -6.121
106 2HG GLN 16 2HG GLN 16 -0.196 12.015 -7.162
107 1HE2 GLN 16 1HE2 GLN 16 1.671 15.121 -6.956
108 2HE2 GLN 16 2HE2 GLN 16 1.868 15.167 -8.693
109 H GLY 17 H GLY 17 -3.693 14.372 -5.483
110 1HA GLY 17 1HA GLY 17 -5.361 14.604 -3.504
111 2HA GLY 17 2HA GLY 17 -3.935 15.290 -2.700
112 HA PRO 18 HA PRO 18 -5.955 18.492 -5.494
113 1HB PRO 18 1HB PRO 18 -7.043 20.214 -3.657
114 2HB PRO 18 2HB PRO 18 -7.885 18.753 -4.251
115 1HG PRO 18 1HG PRO 18 -6.327 19.089 -1.676
116 2HG PRO 18 2HG PRO 18 -7.933 18.332 -1.915
117 1HD PRO 18 1HD PRO 18 -5.609 16.876 -1.763
118 2HD PRO 18 2HD PRO 18 -6.981 16.359 -2.772
119 H CYS 19 H CYS 19 -3.769 18.590 -2.757
120 HA CYS 19 HA CYS 19 -2.977 21.328 -3.016
121 1HB CYS 19 1HB CYS 19 -1.637 18.972 -1.630
122 2HB CYS 19 2HB CYS 19 -1.182 20.645 -1.388
123 H ARG 20 H ARG 20 -0.477 21.697 -3.097
124 HA ARG 20 HA ARG 20 0.711 20.426 -5.524
125 1HB ARG 20 1HB ARG 20 0.566 23.355 -4.763
126 2HB ARG 20 2HB ARG 20 1.876 22.744 -5.715
127 1HG ARG 20 1HG ARG 20 -0.453 23.817 -6.699
128 2HG ARG 20 2HG ARG 20 0.779 22.955 -7.573
129 1HD ARG 20 1HD ARG 20 -1.041 21.923 -8.404
130 2HD ARG 20 2HD ARG 20 -0.618 20.801 -7.136
131 HE ARG 20 HE ARG 20 -2.631 21.184 -6.173
132 1HH1 ARG 20 2HH2 ARG 20 -2.021 23.890 -8.377
133 2HH1 ARG 20 1HH2 ARG 20 -3.605 24.574 -8.238
134 1HH2 ARG 20 2HH1 ARG 20 -4.688 22.072 -5.952
135 2HH2 ARG 20 1HH1 ARG 20 -5.205 23.506 -6.779
136 H GLY 21 H GLY 21 0.940 20.334 -2.413
137 1HA GLY 21 1HA GLY 21 3.890 20.682 -2.104
138 2HA GLY 21 2HA GLY 21 2.729 20.260 -0.802
139 H TRP 22 H TRP 22 5.066 18.478 -1.560
140 HA TRP 22 HA TRP 22 3.612 16.199 -2.663
141 1HB TRP 22 1HB TRP 22 6.346 17.188 -3.541
142 2HB TRP 22 2HB TRP 22 5.600 15.702 -4.059
143 HD1 TRP 22 HD TRP 22 6.521 18.564 -5.595
144 HE1 TRP 22 1HE TRP 22 4.944 19.575 -7.323
145 HE3 TRP 22 3HE TRP 22 2.195 16.098 -4.328
146 HZ2 TRP 22 2HZ TRP 22 2.162 19.394 -8.049
147 HZ3 TRP 22 3HZ TRP 22 0.080 16.644 -5.485
148 HH2 TRP 22 HH TRP 22 0.043 18.251 -7.356
149 H GLU 23 H GLU 23 3.859 14.662 -1.414
150 HA GLU 23 HA GLU 23 5.977 14.396 0.666
151 1HB GLU 23 1HB GLU 23 3.845 15.200 1.532
152 2HB GLU 23 2HB GLU 23 2.949 13.967 0.653
153 1HG GLU 23 1HG GLU 23 2.958 13.354 2.913
154 2HG GLU 23 2HG GLU 23 3.954 12.208 2.032
155 HA PRO 24 HA PRO 24 6.233 10.486 -1.866
156 1HB PRO 24 1HB PRO 24 8.536 9.483 -0.826
157 2HB PRO 24 2HB PRO 24 8.516 10.845 -1.987
158 1HG PRO 24 1HG PRO 24 8.747 10.978 1.035
159 2HG PRO 24 2HG PRO 24 9.740 11.828 -0.191
160 1HD PRO 24 1HD PRO 24 7.633 13.012 1.064
161 2HD PRO 24 2HD PRO 24 8.017 13.378 -0.641
162 H ARG 25 H ARG 25 5.113 8.742 -1.450
163 HA ARG 25 HA ARG 25 5.331 7.408 1.193
164 1HB ARG 25 1HB ARG 25 2.749 8.201 -0.224
165 2HB ARG 25 2HB ARG 25 2.785 6.944 1.010
166 1HG ARG 25 1HG ARG 25 3.619 9.845 1.477
167 2HG ARG 25 2HG ARG 25 2.073 9.132 1.894
168 1HD ARG 25 1HD ARG 25 3.192 7.457 3.329
169 2HD ARG 25 2HD ARG 25 4.762 8.180 2.996
170 HE ARG 25 HE ARG 25 2.612 9.263 4.657
171 1HH1 ARG 25 2HH2 ARG 25 5.723 9.997 2.985
172 2HH1 ARG 25 1HH2 ARG 25 5.947 11.473 3.804
173 1HH2 ARG 25 2HH1 ARG 25 3.043 11.278 5.829
174 2HH2 ARG 25 1HH1 ARG 25 4.390 12.230 5.326
175 H TRP 26 H TRP 26 4.034 5.180 0.940
176 HA TRP 26 HA TRP 26 4.968 3.952 -1.631
177 1HB TRP 26 1HB TRP 26 4.912 2.941 1.234
178 2HB TRP 26 2HB TRP 26 4.907 1.836 -0.135
179 HD1 TRP 26 HD TRP 26 7.157 4.485 1.522
180 HE1 TRP 26 1HE TRP 26 9.556 4.192 0.690
181 HE3 TRP 26 3HE TRP 26 6.360 0.744 -1.870
182 HZ2 TRP 26 2HZ TRP 26 10.952 2.564 -1.312
183 HZ3 TRP 26 3HZ TRP 26 8.141 0.115 -3.457
184 HH2 TRP 26 HH TRP 26 10.445 0.837 -3.078
185 H ALA 27 H ALA 27 3.397 2.704 -2.769
186 HA ALA 27 HA ALA 27 0.829 2.210 -1.406
187 1HB ALA 27 1HB ALA 27 0.214 4.184 -2.612
188 2HB ALA 27 2HB ALA 27 1.126 3.673 -4.067
189 3HB ALA 27 3HB ALA 27 -0.350 2.832 -3.584
190 H TYR 28 H TYR 28 -0.225 0.396 -2.163
191 HA TYR 28 HA TYR 28 1.441 -1.510 -3.678
192 1HB TYR 28 1HB TYR 28 0.127 -2.277 -1.694
193 2HB TYR 28 2HB TYR 28 -1.332 -1.819 -2.505
194 HD1 TYR 28 1HD TYR 28 -2.357 -3.201 -4.222
195 HD2 TYR 28 2HD TYR 28 1.526 -4.253 -2.655
196 HE1 TYR 28 1HE TYR 28 -2.390 -5.321 -5.487
197 HE2 TYR 28 2HE TYR 28 1.503 -6.324 -3.958
198 HH TYR 28 HH TYR 28 -1.292 -7.318 -5.977
199 H SER 29 H SER 29 0.979 -2.187 -5.764
200 HA SER 29 HA SER 29 -1.323 -0.943 -7.138
201 1HB SER 29 1HB SER 29 1.557 -1.112 -7.924
202 2HB SER 29 2HB SER 29 0.361 -0.913 -9.165
203 HG SER 29 HG SER 29 -0.072 0.573 -6.879
204 HA PRO 30 HA PRO 30 -1.916 -5.412 -7.735
205 1HB PRO 30 1HB PRO 30 -4.414 -5.294 -8.873
206 2HB PRO 30 2HB PRO 30 -4.141 -5.149 -7.111
207 1HG PRO 30 1HG PRO 30 -4.550 -2.905 -9.083
208 2HG PRO 30 2HG PRO 30 -5.328 -3.155 -7.489
209 1HD PRO 30 1HD PRO 30 -3.195 -1.514 -7.790
210 2HD PRO 30 2HD PRO 30 -3.368 -2.523 -6.325
211 H LEU 31 H LEU 31 -2.456 -2.778 -9.994
212 HA LEU 31 HA LEU 31 -2.169 -4.177 -12.461
213 1HB LEU 31 1HB LEU 31 -1.937 -1.297 -11.630
214 2HB LEU 31 2HB LEU 31 -1.557 -1.791 -13.276
215 HG LEU 31 HG LEU 31 -4.193 -2.553 -11.961
216 1HD1 LEU 31 1HD1 LEU 31 -3.972 -0.124 -11.955
217 2HD1 LEU 31 2HD1 LEU 31 -3.552 -0.143 -13.689
218 3HD1 LEU 31 3HD1 LEU 31 -5.175 -0.650 -13.149
219 1HD2 LEU 31 1HD2 LEU 31 -4.965 -2.765 -14.322
220 2HD2 LEU 31 2HD2 LEU 31 -3.322 -2.395 -14.892
221 3HD2 LEU 31 3HD2 LEU 31 -3.646 -3.881 -13.981
222 H LEU 32 H LEU 32 0.196 -3.547 -10.041
223 HA LEU 32 HA LEU 32 2.393 -4.139 -11.963
224 1HB LEU 32 1HB LEU 32 2.177 -2.399 -9.517
225 2HB LEU 32 2HB LEU 32 3.733 -3.021 -9.962
226 HG LEU 32 HG LEU 32 2.031 -1.403 -11.912
227 1HD1 LEU 32 1HD1 LEU 32 3.542 0.496 -11.386
228 2HD1 LEU 32 2HD1 LEU 32 2.534 0.020 -10.020
229 3HD1 LEU 32 3HD1 LEU 32 4.256 -0.455 -10.062
230 1HD2 LEU 32 1HD2 LEU 32 4.197 -1.085 -13.095
231 2HD2 LEU 32 2HD2 LEU 32 4.999 -2.145 -11.909
232 3HD2 LEU 32 3HD2 LEU 32 3.758 -2.787 -13.002
233 H GLN 33 H GLN 33 0.379 -5.330 -9.568
234 HA GLN 33 HA GLN 33 0.372 -6.812 -7.985
235 1HB GLN 33 1HB GLN 33 0.812 -8.092 -10.160
236 2HB GLN 33 2HB GLN 33 2.481 -8.267 -9.627
237 1HG GLN 33 1HG GLN 33 0.745 -8.998 -7.449
238 2HG GLN 33 2HG GLN 33 0.100 -9.766 -8.888
239 1HE2 GLN 33 1HE2 GLN 33 3.337 -9.217 -7.393
240 2HE2 GLN 33 2HE2 GLN 33 3.936 -10.856 -7.743
241 H GLN 34 H GLN 34 1.980 -4.564 -7.344
242 HA GLN 34 HA GLN 34 3.859 -5.675 -5.379
243 1HB GLN 34 1HB GLN 34 4.934 -5.674 -7.835
244 2HB GLN 34 2HB GLN 34 5.033 -3.924 -7.538
245 1HG GLN 34 1HG GLN 34 6.508 -4.242 -5.683
246 2HG GLN 34 2HG GLN 34 6.363 -6.006 -5.821
247 1HE2 GLN 34 1HE2 GLN 34 6.514 -6.055 -8.805
248 2HE2 GLN 34 2HE2 GLN 34 8.192 -5.682 -9.166
249 H CYS 35 H CYS 35 5.021 -3.856 -4.280
250 HA CYS 35 HA CYS 35 3.357 -1.368 -4.231
251 1HB CYS 35 1HB CYS 35 5.397 -2.364 -2.247
252 2HB CYS 35 2HB CYS 35 4.621 -0.798 -2.173
253 H HIS 36 H HIS 36 4.206 0.596 -4.432
254 HA HIS 36 HA HIS 36 7.070 0.893 -5.183
255 1HB HIS 36 1HB HIS 36 6.634 2.011 -7.273
256 2HB HIS 36 2HB HIS 36 5.916 0.411 -7.298
257 HD1 HIS 36 1HD HIS 36 4.858 4.128 -6.979
258 HD2 HIS 36 2HD HIS 36 3.187 0.280 -7.719
259 HE1 HIS 36 1HE HIS 36 2.421 4.474 -7.691
260 HE2 HIS 36 2HE HIS 36 1.458 2.073 -8.092
261 HA PRO 37 HA PRO 37 6.610 4.784 -3.032
262 1HB PRO 37 1HB PRO 37 8.348 6.146 -5.042
263 2HB PRO 37 2HB PRO 37 8.603 5.961 -3.283
264 1HG PRO 37 1HG PRO 37 10.065 4.560 -5.146
265 2HG PRO 37 2HG PRO 37 9.616 3.875 -3.559
266 1HD PRO 37 1HD PRO 37 8.311 3.410 -6.242
267 2HD PRO 37 2HD PRO 37 8.693 2.238 -4.952
268 H PHE 38 H PHE 38 5.522 7.048 -3.440
269 HA PHE 38 HA PHE 38 4.865 7.639 -6.181
270 1HB PHE 38 1HB PHE 38 2.536 7.482 -6.106
271 2HB PHE 38 2HB PHE 38 3.085 5.936 -5.511
272 HD1 PHE 38 1HD PHE 38 3.153 5.666 -2.837
273 HD2 PHE 38 2HD PHE 38 0.873 8.666 -4.946
274 HE1 PHE 38 1HE PHE 38 1.558 5.865 -0.929
275 HE2 PHE 38 2HE PHE 38 -0.657 8.844 -3.033
276 HZ PHE 38 HZ PHE 38 -0.340 7.413 -1.033
277 H VAL 39 H VAL 39 3.651 9.735 -6.260
278 HA VAL 39 HA VAL 39 4.624 11.512 -4.115
279 HB VAL 39 HB VAL 39 3.311 12.190 -6.814
280 1HG1 VAL 39 1HG1 VAL 39 2.932 13.925 -5.141
281 2HG1 VAL 39 2HG1 VAL 39 4.631 13.873 -4.657
282 3HG1 VAL 39 3HG1 VAL 39 4.177 14.481 -6.269
283 1HG2 VAL 39 1HG2 VAL 39 5.593 12.945 -7.459
284 2HG2 VAL 39 2HG2 VAL 39 6.242 12.293 -5.940
285 3HG2 VAL 39 3HG2 VAL 39 5.559 11.204 -7.169
286 H TYR 40 H TYR 40 3.241 12.038 -2.537
287 HA TYR 40 HA TYR 40 0.317 11.848 -2.936
288 1HB TYR 40 1HB TYR 40 0.864 10.113 -1.461
289 2HB TYR 40 2HB TYR 40 2.143 10.996 -0.689
290 HD1 TYR 40 1HD TYR 40 1.790 11.660 1.450
291 HD2 TYR 40 2HD TYR 40 -1.582 11.455 -1.243
292 HE1 TYR 40 1HE TYR 40 0.316 12.407 3.264
293 HE2 TYR 40 2HE TYR 40 -3.055 12.288 0.563
294 HH TYR 40 HH TYR 40 -2.977 13.386 2.695
295 H GLY 41 H GLY 41 -0.751 13.672 -1.586
296 1HA GLY 41 1HA GLY 41 0.875 16.106 -1.981
297 2HA GLY 41 2HA GLY 41 -0.862 15.994 -1.919
298 H GLY 42 H GLY 42 0.154 14.227 0.708
299 1HA GLY 42 1HA GLY 42 0.417 14.595 2.935
300 2HA GLY 42 2HA GLY 42 0.797 16.292 2.656
301 H CYS 43 H CYS 43 -1.660 16.904 1.224
302 HA CYS 43 HA CYS 43 -3.661 16.929 3.361
303 1HB CYS 43 1HB CYS 43 -4.733 18.592 2.096
304 2HB CYS 43 2HB CYS 43 -3.023 18.941 2.036
305 H GLU 44 H GLU 44 -6.009 16.751 1.975
306 HA GLU 44 HA GLU 44 -6.891 14.254 2.066
307 1HB GLU 44 1HB GLU 44 -7.718 16.083 -0.193
308 2HB GLU 44 2HB GLU 44 -8.624 14.752 0.519
309 1HG GLU 44 1HG GLU 44 -9.595 16.518 1.573
310 2HG GLU 44 2HG GLU 44 -8.392 16.078 2.770
311 H GLY 45 H GLY 45 -6.811 12.302 0.945
312 1HA GLY 45 1HA GLY 45 -6.173 11.961 -1.792
313 2HA GLY 45 2HA GLY 45 -4.784 11.555 -0.764
314 H ASN 46 H ASN 46 -5.335 9.252 -1.605
315 HA ASN 46 HA ASN 46 -7.805 8.149 -0.366
316 1HB ASN 46 1HB ASN 46 -5.849 6.553 -2.026
317 2HB ASN 46 2HB ASN 46 -7.472 6.135 -1.578
318 1HD2 ASN 46 1HD2 ASN 46 -7.033 5.775 -4.244
319 2HD2 ASN 46 2HD2 ASN 46 -7.824 7.101 -5.065
320 H GLY 47 H GLY 47 -7.358 5.803 0.355
321 1HA GLY 47 1HA GLY 47 -5.764 6.092 2.820
322 2HA GLY 47 2HA GLY 47 -6.914 4.798 2.459
323 H ASN 48 H ASN 48 -5.168 4.776 -0.283
324 HA ASN 48 HA ASN 48 -3.443 2.568 0.552
325 1HB ASN 48 1HB ASN 48 -4.592 2.598 -1.649
326 2HB ASN 48 2HB ASN 48 -3.701 3.969 -2.160
327 1HD2 ASN 48 1HD2 ASN 48 -3.551 1.629 -3.585
328 2HD2 ASN 48 2HD2 ASN 48 -2.099 0.708 -3.366
329 H ASN 49 H ASN 49 -2.251 3.749 2.155
330 HA ASN 49 HA ASN 49 -0.046 5.416 1.044
331 1HB ASN 49 1HB ASN 49 -2.086 6.767 1.849
332 2HB ASN 49 2HB ASN 49 -1.761 6.159 3.466
333 1HD2 ASN 49 1HD2 ASN 49 -1.461 8.823 1.689
334 2HD2 ASN 49 2HD2 ASN 49 -0.007 9.516 2.334
335 H PHE 50 H PHE 50 1.645 4.146 1.604
336 HA PHE 50 HA PHE 50 1.721 2.899 4.267
337 1HB PHE 50 1HB PHE 50 2.936 1.919 1.667
338 2HB PHE 50 2HB PHE 50 3.243 1.221 3.178
339 HD1 PHE 50 1HD PHE 50 1.594 -0.121 4.428
340 HD2 PHE 50 2HD PHE 50 0.450 1.867 0.764
341 HE1 PHE 50 1HE PHE 50 -0.666 -1.137 4.557
342 HE2 PHE 50 2HE PHE 50 -1.790 0.814 0.922
343 HZ PHE 50 HZ PHE 50 -2.383 -0.604 2.829
344 H HIS 51 H HIS 51 3.808 2.526 5.055
345 HA HIS 51 HA HIS 51 5.198 5.095 5.177
346 1HB HIS 51 1HB HIS 51 5.653 2.660 6.909
347 2HB HIS 51 2HB HIS 51 5.899 4.343 7.294
348 HD1 HIS 51 1HD HIS 51 3.237 5.756 7.263
349 HD2 HIS 51 2HD HIS 51 3.437 1.561 7.257
350 HE1 HIS 51 1HE HIS 51 0.813 4.914 7.544
351 HE2 HIS 51 2HE HIS 51 0.937 2.351 7.615
352 H SER 52 H SER 52 5.689 1.894 3.941
353 HA SER 52 HA SER 52 8.398 2.491 3.032
354 1HB SER 52 1HB SER 52 9.274 0.414 4.377
355 2HB SER 52 2HB SER 52 9.129 1.960 5.213
356 HG SER 52 HG SER 52 8.206 -0.028 6.285
357 H ARG 53 H ARG 53 9.306 0.573 1.955
358 HA ARG 53 HA ARG 53 7.473 -0.782 0.192
359 1HB ARG 53 1HB ARG 53 9.828 -0.321 -0.367
360 2HB ARG 53 2HB ARG 53 10.366 -1.353 0.951
361 1HG ARG 53 1HG ARG 53 10.519 -2.475 -1.144
362 2HG ARG 53 2HG ARG 53 9.369 -3.320 -0.117
363 1HD ARG 53 1HD ARG 53 7.539 -2.145 -1.470
364 2HD ARG 53 2HD ARG 53 8.782 -1.538 -2.516
365 HE ARG 53 HE ARG 53 8.300 -4.452 -1.998
366 1HH1 ARG 53 2HH2 ARG 53 8.339 -2.147 -4.626
367 2HH1 ARG 53 1HH2 ARG 53 9.018 -3.294 -5.728
368 1HH2 ARG 53 2HH1 ARG 53 8.514 -5.849 -3.499
369 2HH2 ARG 53 1HH1 ARG 53 9.040 -5.478 -5.136
370 H GLU 54 H GLU 54 9.363 -1.809 2.973
371 HA GLU 54 HA GLU 54 8.588 -4.403 3.447
372 1HB GLU 54 1HB GLU 54 10.344 -3.470 4.602
373 2HB GLU 54 2HB GLU 54 9.603 -1.970 4.921
374 1HG GLU 54 1HG GLU 54 8.668 -4.456 6.407
375 2HG GLU 54 2HG GLU 54 10.198 -3.681 6.844
376 H SER 55 H SER 55 7.247 -1.752 5.315
377 HA SER 55 HA SER 55 5.151 -3.270 6.233
378 1HB SER 55 1HB SER 55 3.935 -1.187 6.888
379 2HB SER 55 2HB SER 55 5.650 -1.132 7.310
380 HG SER 55 HG SER 55 6.050 0.247 5.708
381 H CYS 56 H CYS 56 5.145 -1.639 3.171
382 HA CYS 56 HA CYS 56 2.319 -2.044 2.723
383 1HB CYS 56 1HB CYS 56 4.127 -0.421 1.551
384 2HB CYS 56 2HB CYS 56 4.649 -1.823 0.710
385 H GLU 57 H GLU 57 5.208 -3.815 1.664
386 HA GLU 57 HA GLU 57 3.426 -5.697 0.319
387 1HB GLU 57 1HB GLU 57 6.428 -5.761 0.740
388 2HB GLU 57 2HB GLU 57 5.495 -7.079 -0.022
389 1HG GLU 57 1HG GLU 57 4.394 -5.277 -1.502
390 2HG GLU 57 2HG GLU 57 5.603 -4.152 -0.879
391 H ASP 58 H ASP 58 4.806 -5.548 3.629
392 HA ASP 58 HA ASP 58 3.801 -8.263 4.055
393 1HB ASP 58 1HB ASP 58 5.639 -7.175 5.454
394 2HB ASP 58 2HB ASP 58 4.335 -6.311 6.293
395 H ALA 59 H ALA 59 2.289 -4.883 4.099
396 HA ALA 59 HA ALA 59 0.047 -5.870 5.638
397 1HB ALA 59 1HB ALA 59 0.554 -3.484 5.583
398 2HB ALA 59 2HB ALA 59 0.393 -3.453 3.807
399 3HB ALA 59 3HB ALA 59 -1.023 -3.774 4.827
400 H CYS 60 H CYS 60 0.729 -5.349 2.135
401 HA CYS 60 HA CYS 60 -1.582 -7.083 1.493
402 1HB CYS 60 1HB CYS 60 -0.976 -4.345 0.393
403 2HB CYS 60 2HB CYS 60 -1.982 -5.535 -0.426
404 HA PRO 61 HA PRO 61 1.716 -8.565 -1.261
405 1HB PRO 61 1HB PRO 61 1.880 -11.125 -0.365
406 2HB PRO 61 2HB PRO 61 2.623 -9.808 0.574
407 1HG PRO 61 1HG PRO 61 -0.054 -11.154 1.047
408 2HG PRO 61 2HG PRO 61 1.221 -10.755 2.241
409 1HD PRO 61 1HD PRO 61 -1.018 -9.184 1.690
410 2HD PRO 61 2HD PRO 61 0.498 -8.542 2.378
411 H VAL 62 H VAL 62 1.156 -11.031 -2.266
412 HA VAL 62 HA VAL 62 -1.626 -10.834 -3.350
413 HB VAL 62 HB VAL 62 0.436 -12.889 -4.201
414 1HG1 VAL 62 1HG1 VAL 62 -1.836 -13.076 -5.175
415 2HG1 VAL 62 2HG1 VAL 62 -1.734 -11.406 -5.750
416 3HG1 VAL 62 3HG1 VAL 62 -0.660 -12.651 -6.418
417 1HG2 VAL 62 1HG2 VAL 62 1.263 -11.374 -5.978
418 2HG2 VAL 62 2HG2 VAL 62 0.388 -10.022 -5.225
419 3HG2 VAL 62 3HG2 VAL 62 1.738 -10.813 -4.382
420 H VAL 63 H VAL 63 -2.519 -13.411 -3.395
421 HA VAL 63 HA VAL 63 -3.486 -14.230 -1.181
422 HB VAL 63 HB VAL 63 -2.169 -16.502 -2.486
423 1HG1 VAL 63 1HG1 VAL 63 -4.323 -17.619 -2.197
424 2HG1 VAL 63 2HG1 VAL 63 -3.691 -16.969 -0.677
425 3HG1 VAL 63 3HG1 VAL 63 -5.000 -16.119 -1.531
426 1HG2 VAL 63 1HG2 VAL 63 -2.802 -15.194 -4.480
427 2HG2 VAL 63 2HG2 VAL 63 -3.969 -16.502 -4.300
428 3HG2 VAL 63 3HG2 VAL 63 -4.405 -14.860 -3.787
429 H ASP 64 H ASP 64 -3.038 -14.627 0.631
430 HA ASP 64 HA ASP 64 -0.687 -13.733 1.856
431 1HB ASP 64 1HB ASP 64 -2.648 -13.575 3.139
432 2HB ASP 64 2HB ASP 64 -2.871 -15.319 3.149
433 H HIS 65 H HIS 65 1.174 -14.449 1.949
434 HA HIS 65 HA HIS 65 1.916 -17.185 1.544
435 1HB HIS 65 1HB HIS 65 3.611 -14.745 2.291
436 2HB HIS 65 2HB HIS 65 4.200 -16.253 1.614
437 HD1 HIS 65 1HD HIS 65 1.256 -15.313 -0.520
438 HD2 HIS 65 2HD HIS 65 5.217 -13.888 0.066
439 HE1 HIS 65 1HE HIS 65 1.788 -13.899 -2.503
440 HE2 HIS 65 2HE HIS 65 4.213 -13.017 -2.199
441 H HIS 66 H HIS 66 0.412 -17.617 3.255
442 HA HIS 66 HA HIS 66 -0.154 -16.758 5.548
443 1HB HIS 66 1HB HIS 66 0.185 -19.659 4.902
444 2HB HIS 66 2HB HIS 66 -0.522 -19.103 6.420
445 HD1 HIS 66 1HD HIS 66 -2.426 -16.797 5.667
446 HD2 HIS 66 2HD HIS 66 -1.608 -19.816 2.873
447 HE1 HIS 66 1HE HIS 66 -4.338 -16.825 4.069
448 HE2 HIS 66 2HE HIS 66 -3.837 -18.384 2.329
449 H HIS 67 H HIS 67 1.041 -15.524 6.402
450 HA HIS 67 HA HIS 67 3.470 -15.351 7.437
451 1HB HIS 67 1HB HIS 67 0.821 -14.457 8.643
452 2HB HIS 67 2HB HIS 67 2.357 -14.049 9.380
453 HD1 HIS 67 1HD HIS 67 0.699 -13.349 5.778
454 HD2 HIS 67 2HD HIS 67 3.404 -11.794 8.715
455 HE1 HIS 67 1HE HIS 67 1.317 -10.944 5.134
456 HE2 HIS 67 2HE HIS 67 3.004 -10.085 6.865
457 H HIS 68 H HIS 68 4.525 -17.082 8.220
458 HA HIS 68 HA HIS 68 3.543 -19.272 9.467
459 1HB HIS 68 1HB HIS 68 5.931 -18.825 8.588
460 2HB HIS 68 2HB HIS 68 6.301 -18.227 10.208
461 HD1 HIS 68 1HD HIS 68 5.300 -21.467 8.353
462 HD2 HIS 68 2HD HIS 68 6.309 -20.122 12.245
463 HE1 HIS 68 1HE HIS 68 5.410 -23.527 9.888
464 HE2 HIS 68 2HE HIS 68 5.902 -22.724 12.168
465 H HIS 69 H HIS 69 3.016 -19.999 11.442
466 HA HIS 69 HA HIS 69 3.562 -18.464 13.876
467 1HB HIS 69 1HB HIS 69 0.723 -19.117 12.952
468 2HB HIS 69 2HB HIS 69 1.159 -18.990 14.656
469 HD1 HIS 69 1HD HIS 69 1.269 -16.676 11.490
470 HD2 HIS 69 2HD HIS 69 1.242 -16.601 15.733
471 HE1 HIS 69 1HE HIS 69 1.029 -14.226 12.185
472 HE2 HIS 69 2HE HIS 69 1.029 -14.176 14.758
473 H HIS 70 H HIS 70 1.375 -21.272 13.180
474 HA HIS 70 HA HIS 70 3.187 -23.024 14.701
475 1HB HIS 70 1HB HIS 70 0.753 -23.564 14.681
476 2HB HIS 70 2HB HIS 70 0.772 -23.615 12.910
477 HD1 HIS 70 1HD HIS 70 3.768 -25.357 13.446
478 HD2 HIS 70 2HD HIS 70 -0.322 -26.191 14.107
479 HE1 HIS 70 1HE HIS 70 3.548 -27.947 13.567
480 HE2 HIS 70 2HE HIS 70 1.036 -28.433 13.944
Start of MODEL 15
1 1H GLU 1 1H GLU 1 1.590 -7.804 7.382
2 2H GLU 1 2H GLU 1 0.638 -8.098 8.697
3 3H GLU 1 H GLU 1 -0.010 -7.414 7.360
4 HA GLU 1 HA GLU 1 0.232 -9.273 6.058
5 1HB GLU 1 1HB GLU 1 2.454 -9.886 7.309
6 2HB GLU 1 2HB GLU 1 1.432 -10.827 8.371
7 1HG GLU 1 1HG GLU 1 0.518 -11.816 6.071
8 2HG GLU 1 2HG GLU 1 1.988 -11.147 5.402
9 H ALA 2 H ALA 2 -1.893 -8.179 7.580
10 HA ALA 2 HA ALA 2 -3.634 -10.475 7.856
11 1HB ALA 2 1HB ALA 2 -2.716 -10.279 10.167
12 2HB ALA 2 2HB ALA 2 -3.217 -8.569 10.205
13 3HB ALA 2 3HB ALA 2 -4.437 -9.856 10.107
14 H GLU 3 H GLU 3 -3.109 -7.928 6.214
15 HA GLU 3 HA GLU 3 -5.547 -6.345 6.714
16 1HB GLU 3 1HB GLU 3 -3.190 -5.707 4.893
17 2HB GLU 3 2HB GLU 3 -4.448 -4.628 5.459
18 1HG GLU 3 1HG GLU 3 -2.479 -4.086 6.684
19 2HG GLU 3 2HG GLU 3 -3.570 -4.889 7.812
20 H ALA 4 H ALA 4 -3.738 -7.882 4.032
21 HA ALA 4 HA ALA 4 -5.626 -7.535 1.970
22 1HB ALA 4 1HB ALA 4 -4.225 -9.143 0.767
23 2HB ALA 4 2HB ALA 4 -3.209 -8.049 1.719
24 3HB ALA 4 3HB ALA 4 -3.506 -9.703 2.297
25 H GLU 5 H GLU 5 -6.588 -9.015 4.540
26 HA GLU 5 HA GLU 5 -7.449 -11.647 3.633
27 1HB GLU 5 1HB GLU 5 -8.618 -10.151 6.007
28 2HB GLU 5 2HB GLU 5 -8.415 -11.889 5.782
29 1HG GLU 5 1HG GLU 5 -6.360 -9.792 6.469
30 2HG GLU 5 2HG GLU 5 -6.776 -11.240 7.391
31 H PHE 6 H PHE 6 -8.516 -8.440 3.433
32 HA PHE 6 HA PHE 6 -11.022 -9.063 2.055
33 1HB PHE 6 1HB PHE 6 -11.631 -8.418 4.380
34 2HB PHE 6 2HB PHE 6 -10.633 -6.976 4.251
35 HD1 PHE 6 1HD PHE 6 -13.599 -8.672 2.671
36 HD2 PHE 6 2HD PHE 6 -11.588 -4.937 3.483
37 HE1 PHE 6 1HE PHE 6 -15.494 -7.422 1.660
38 HE2 PHE 6 2HE PHE 6 -13.462 -3.704 2.465
39 HZ PHE 6 HZ PHE 6 -15.428 -4.935 1.549
40 H THR 7 H THR 7 -11.562 -6.557 1.154
41 HA THR 7 HA THR 7 -9.234 -5.945 -0.558
42 HB THR 7 HB THR 7 -11.983 -4.634 -0.398
43 HG1 THR 7 1HG THR 7 -11.709 -6.931 -1.058
44 1HG2 THR 7 1HG2 THR 7 -9.832 -4.521 -2.560
45 2HG2 THR 7 2HG2 THR 7 -11.414 -3.717 -2.615
46 3HG2 THR 7 3HG2 THR 7 -10.196 -3.197 -1.439
47 H ASP 8 H ASP 8 -7.699 -5.203 0.950
48 HA ASP 8 HA ASP 8 -8.268 -2.990 2.754
49 1HB ASP 8 1HB ASP 8 -6.447 -4.473 3.314
50 2HB ASP 8 2HB ASP 8 -5.696 -4.253 1.726
51 H ALA 9 H ALA 9 -6.985 -0.915 2.440
52 HA ALA 9 HA ALA 9 -7.780 0.506 0.080
53 1HB ALA 9 1HB ALA 9 -5.511 1.180 2.000
54 2HB ALA 9 2HB ALA 9 -6.349 2.270 0.877
55 3HB ALA 9 3HB ALA 9 -7.226 1.599 2.267
56 H CYS 10 H CYS 10 -4.991 -1.585 0.719
57 HA CYS 10 HA CYS 10 -3.126 -0.599 -1.104
58 1HB CYS 10 1HB CYS 10 -2.132 -2.741 -0.922
59 2HB CYS 10 2HB CYS 10 -2.946 -2.480 0.588
60 H VAL 11 H VAL 11 -6.160 -2.336 -1.791
61 HA VAL 11 HA VAL 11 -5.429 -2.944 -4.546
62 HB VAL 11 HB VAL 11 -8.159 -2.993 -3.203
63 1HG1 VAL 11 1HG1 VAL 11 -7.100 -4.610 -5.566
64 2HG1 VAL 11 2HG1 VAL 11 -8.721 -4.724 -4.852
65 3HG1 VAL 11 3HG1 VAL 11 -8.235 -3.245 -5.681
66 1HG2 VAL 11 1HG2 VAL 11 -5.981 -5.136 -3.262
67 2HG2 VAL 11 2HG2 VAL 11 -6.736 -4.400 -1.832
68 3HG2 VAL 11 3HG2 VAL 11 -7.675 -5.472 -2.856
69 H LEU 12 H LEU 12 -6.705 -0.209 -2.875
70 HA LEU 12 HA LEU 12 -8.184 0.979 -5.033
71 1HB LEU 12 1HB LEU 12 -9.128 1.579 -3.280
72 2HB LEU 12 2HB LEU 12 -7.753 1.513 -2.181
73 HG LEU 12 HG LEU 12 -7.228 3.872 -3.047
74 1HD1 LEU 12 1HD1 LEU 12 -9.495 4.994 -3.856
75 2HD1 LEU 12 2HD1 LEU 12 -8.462 4.216 -5.047
76 3HD1 LEU 12 3HD1 LEU 12 -9.914 3.381 -4.429
77 1HD2 LEU 12 1HD2 LEU 12 -9.832 3.193 -1.611
78 2HD2 LEU 12 2HD2 LEU 12 -8.229 3.395 -0.889
79 3HD2 LEU 12 3HD2 LEU 12 -9.077 4.791 -1.584
80 HA PRO 13 HA PRO 13 -4.650 2.770 -7.074
81 1HB PRO 13 1HB PRO 13 -6.672 4.897 -7.750
82 2HB PRO 13 2HB PRO 13 -5.517 4.074 -8.836
83 1HG PRO 13 1HG PRO 13 -8.161 3.367 -8.795
84 2HG PRO 13 2HG PRO 13 -6.870 2.139 -8.977
85 1HD PRO 13 1HD PRO 13 -8.514 2.747 -6.524
86 2HD PRO 13 2HD PRO 13 -7.829 1.220 -7.077
87 H ALA 14 H ALA 14 -3.380 4.727 -6.921
88 HA ALA 14 HA ALA 14 -3.650 6.108 -4.307
89 1HB ALA 14 1HB ALA 14 -1.345 6.837 -4.751
90 2HB ALA 14 2HB ALA 14 -1.470 5.075 -4.840
91 3HB ALA 14 3HB ALA 14 -1.369 6.046 -6.338
92 H VAL 15 H VAL 15 -3.286 8.497 -4.304
93 HA VAL 15 HA VAL 15 -3.805 9.965 -6.781
94 HB VAL 15 HB VAL 15 -5.528 9.996 -4.284
95 1HG1 VAL 15 1HG1 VAL 15 -6.733 11.975 -5.150
96 2HG1 VAL 15 2HG1 VAL 15 -5.109 12.325 -4.603
97 3HG1 VAL 15 3HG1 VAL 15 -5.448 12.210 -6.356
98 1HG2 VAL 15 1HG2 VAL 15 -7.406 9.848 -5.906
99 2HG2 VAL 15 2HG2 VAL 15 -6.245 9.872 -7.255
100 3HG2 VAL 15 3HG2 VAL 15 -6.284 8.506 -6.124
101 H GLN 16 H GLN 16 -3.030 12.082 -6.553
102 HA GLN 16 HA GLN 16 -0.824 12.441 -4.645
103 1HB GLN 16 1HB GLN 16 -1.873 14.080 -6.990
104 2HB GLN 16 2HB GLN 16 -0.749 14.772 -5.811
105 1HG GLN 16 1HG GLN 16 0.856 12.991 -6.207
106 2HG GLN 16 2HG GLN 16 -0.218 12.215 -7.376
107 1HE2 GLN 16 1HE2 GLN 16 1.493 15.425 -6.737
108 2HE2 GLN 16 2HE2 GLN 16 1.953 15.541 -8.419
109 H GLY 17 H GLY 17 -3.574 14.590 -5.522
110 1HA GLY 17 1HA GLY 17 -5.243 14.925 -3.606
111 2HA GLY 17 2HA GLY 17 -3.812 15.459 -2.706
112 HA PRO 18 HA PRO 18 -5.522 18.859 -5.500
113 1HB PRO 18 1HB PRO 18 -6.837 20.493 -3.744
114 2HB PRO 18 2HB PRO 18 -7.579 19.024 -4.444
115 1HG PRO 18 1HG PRO 18 -6.258 19.327 -1.729
116 2HG PRO 18 2HG PRO 18 -7.836 18.572 -2.123
117 1HD PRO 18 1HD PRO 18 -5.541 17.105 -1.807
118 2HD PRO 18 2HD PRO 18 -6.809 16.631 -2.964
119 H CYS 19 H CYS 19 -3.482 18.763 -2.726
120 HA CYS 19 HA CYS 19 -2.757 21.540 -2.610
121 1HB CYS 19 1HB CYS 19 -1.518 19.031 -1.419
122 2HB CYS 19 2HB CYS 19 -0.947 20.654 -1.058
123 H ARG 20 H ARG 20 -0.114 21.785 -2.519
124 HA ARG 20 HA ARG 20 1.016 20.766 -5.055
125 1HB ARG 20 1HB ARG 20 0.790 23.676 -4.258
126 2HB ARG 20 2HB ARG 20 2.115 23.082 -5.235
127 1HG ARG 20 1HG ARG 20 0.865 23.283 -7.056
128 2HG ARG 20 2HG ARG 20 -0.153 21.968 -6.516
129 1HD ARG 20 1HD ARG 20 -0.580 24.897 -5.824
130 2HD ARG 20 2HD ARG 20 -1.320 24.083 -7.205
131 HE ARG 20 HE ARG 20 -2.305 22.475 -5.466
132 1HH1 ARG 20 2HH2 ARG 20 -1.882 25.964 -4.917
133 2HH1 ARG 20 1HH2 ARG 20 -3.295 26.133 -3.936
134 1HH2 ARG 20 2HH1 ARG 20 -4.217 22.720 -4.258
135 2HH2 ARG 20 1HH1 ARG 20 -4.654 24.208 -3.500
136 H GLY 21 H GLY 21 1.280 20.495 -2.036
137 1HA GLY 21 1HA GLY 21 4.244 20.802 -1.725
138 2HA GLY 21 2HA GLY 21 3.091 20.419 -0.399
139 H TRP 22 H TRP 22 5.324 18.522 -1.273
140 HA TRP 22 HA TRP 22 3.683 16.355 -2.348
141 1HB TRP 22 1HB TRP 22 6.396 17.229 -3.379
142 2HB TRP 22 2HB TRP 22 5.556 15.779 -3.863
143 HD1 TRP 22 HD TRP 22 6.403 18.757 -5.336
144 HE1 TRP 22 1HE TRP 22 4.703 19.841 -6.896
145 HE3 TRP 22 3HE TRP 22 2.212 16.141 -3.946
146 HZ2 TRP 22 2HZ TRP 22 1.864 19.662 -7.440
147 HZ3 TRP 22 3HZ TRP 22 0.015 16.706 -4.928
148 HH2 TRP 22 HH TRP 22 -0.173 18.440 -6.681
149 H GLU 23 H GLU 23 3.838 14.805 -1.151
150 HA GLU 23 HA GLU 23 5.953 14.336 0.884
151 1HB GLU 23 1HB GLU 23 3.811 15.153 1.745
152 2HB GLU 23 2HB GLU 23 2.914 13.960 0.814
153 1HG GLU 23 1HG GLU 23 2.893 13.267 3.050
154 2HG GLU 23 2HG GLU 23 3.896 12.146 2.145
155 HA PRO 24 HA PRO 24 6.115 10.531 -1.828
156 1HB PRO 24 1HB PRO 24 8.417 9.461 -0.870
157 2HB PRO 24 2HB PRO 24 8.405 10.881 -1.962
158 1HG PRO 24 1HG PRO 24 8.674 10.857 1.060
159 2HG PRO 24 2HG PRO 24 9.663 11.754 -0.132
160 1HD PRO 24 1HD PRO 24 7.582 12.897 1.211
161 2HD PRO 24 2HD PRO 24 7.966 13.355 -0.472
162 H ARG 25 H ARG 25 4.982 8.778 -1.457
163 HA ARG 25 HA ARG 25 5.234 7.365 1.141
164 1HB ARG 25 1HB ARG 25 2.629 8.200 -0.209
165 2HB ARG 25 2HB ARG 25 2.690 6.915 0.993
166 1HG ARG 25 1HG ARG 25 3.522 9.808 1.521
167 2HG ARG 25 2HG ARG 25 1.992 9.076 1.953
168 1HD ARG 25 1HD ARG 25 3.155 7.359 3.311
169 2HD ARG 25 2HD ARG 25 4.710 8.108 2.967
170 HE ARG 25 HE ARG 25 2.584 9.114 4.703
171 1HH1 ARG 25 2HH2 ARG 25 5.667 9.908 3.015
172 2HH1 ARG 25 1HH2 ARG 25 5.902 11.359 3.878
173 1HH2 ARG 25 2HH1 ARG 25 3.028 11.087 5.940
174 2HH2 ARG 25 1HH1 ARG 25 4.365 12.062 5.453
175 H TRP 26 H TRP 26 3.951 5.155 0.856
176 HA TRP 26 HA TRP 26 4.855 4.009 -1.768
177 1HB TRP 26 1HB TRP 26 4.871 2.919 1.067
178 2HB TRP 26 2HB TRP 26 4.866 1.853 -0.334
179 HD1 TRP 26 HD TRP 26 7.074 4.515 1.360
180 HE1 TRP 26 1HE TRP 26 9.468 4.310 0.485
181 HE3 TRP 26 3HE TRP 26 6.324 0.849 -2.104
182 HZ2 TRP 26 2HZ TRP 26 10.874 2.773 -1.581
183 HZ3 TRP 26 3HZ TRP 26 8.096 0.298 -3.744
184 HH2 TRP 26 HH TRP 26 10.389 1.083 -3.382
185 H ALA 27 H ALA 27 3.303 2.771 -2.918
186 HA ALA 27 HA ALA 27 0.732 2.249 -1.565
187 1HB ALA 27 1HB ALA 27 1.020 3.621 -4.273
188 2HB ALA 27 2HB ALA 27 -0.457 2.822 -3.715
189 3HB ALA 27 3HB ALA 27 0.150 4.212 -2.823
190 H TYR 28 H TYR 28 -0.232 0.380 -2.242
191 HA TYR 28 HA TYR 28 1.478 -1.530 -3.712
192 1HB TYR 28 1HB TYR 28 0.148 -2.216 -1.683
193 2HB TYR 28 2HB TYR 28 -1.297 -1.804 -2.568
194 HD1 TYR 28 1HD TYR 28 -2.509 -3.614 -3.472
195 HD2 TYR 28 2HD TYR 28 1.775 -3.997 -3.145
196 HE1 TYR 28 1HE TYR 28 -2.644 -5.948 -4.250
197 HE2 TYR 28 2HE TYR 28 1.641 -6.304 -3.908
198 HH TYR 28 HH TYR 28 -0.188 -8.155 -3.833
199 H SER 29 H SER 29 0.948 -2.409 -5.694
200 HA SER 29 HA SER 29 -1.390 -1.277 -7.119
201 1HB SER 29 1HB SER 29 1.490 -1.560 -7.949
202 2HB SER 29 2HB SER 29 0.260 -1.405 -9.170
203 HG SER 29 HG SER 29 -0.071 0.217 -6.978
204 HA PRO 30 HA PRO 30 -1.904 -5.787 -6.953
205 1HB PRO 30 1HB PRO 30 -4.496 -5.888 -7.884
206 2HB PRO 30 2HB PRO 30 -4.071 -5.514 -6.185
207 1HG PRO 30 1HG PRO 30 -4.717 -3.571 -8.421
208 2HG PRO 30 2HG PRO 30 -5.342 -3.574 -6.747
209 1HD PRO 30 1HD PRO 30 -3.297 -1.975 -7.492
210 2HD PRO 30 2HD PRO 30 -3.294 -2.753 -5.882
211 H LEU 31 H LEU 31 -2.714 -3.554 -9.568
212 HA LEU 31 HA LEU 31 -2.599 -5.362 -11.764
213 1HB LEU 31 1HB LEU 31 -2.364 -2.380 -11.479
214 2HB LEU 31 2HB LEU 31 -2.119 -3.161 -13.038
215 HG LEU 31 HG LEU 31 -4.610 -3.693 -11.373
216 1HD1 LEU 31 1HD1 LEU 31 -5.740 -2.038 -12.781
217 2HD1 LEU 31 2HD1 LEU 31 -4.449 -1.299 -11.813
218 3HD1 LEU 31 3HD1 LEU 31 -4.185 -1.621 -13.548
219 1HD2 LEU 31 1HD2 LEU 31 -5.585 -4.326 -13.576
220 2HD2 LEU 31 2HD2 LEU 31 -4.013 -4.047 -14.352
221 3HD2 LEU 31 3HD2 LEU 31 -4.214 -5.354 -13.171
222 H LEU 32 H LEU 32 -0.046 -4.145 -9.744
223 HA LEU 32 HA LEU 32 1.999 -5.018 -11.737
224 1HB LEU 32 1HB LEU 32 1.976 -3.041 -9.463
225 2HB LEU 32 2HB LEU 32 3.490 -3.705 -10.003
226 HG LEU 32 HG LEU 32 1.588 -2.278 -11.899
227 1HD1 LEU 32 1HD1 LEU 32 3.152 -0.346 -11.710
228 2HD1 LEU 32 2HD1 LEU 32 2.331 -0.691 -10.186
229 3HD1 LEU 32 3HD1 LEU 32 4.026 -1.194 -10.414
230 1HD2 LEU 32 1HD2 LEU 32 3.625 -2.082 -13.330
231 2HD2 LEU 32 2HD2 LEU 32 4.533 -3.059 -12.154
232 3HD2 LEU 32 3HD2 LEU 32 3.175 -3.761 -13.055
233 H GLN 33 H GLN 33 0.219 -5.960 -9.035
234 HA GLN 33 HA GLN 33 0.414 -7.221 -7.272
235 1HB GLN 33 1HB GLN 33 0.627 -8.782 -9.297
236 2HB GLN 33 2HB GLN 33 2.349 -8.879 -8.933
237 1HG GLN 33 1HG GLN 33 0.902 -9.292 -6.482
238 2HG GLN 33 2HG GLN 33 0.075 -10.238 -7.709
239 1HE2 GLN 33 1HE2 GLN 33 3.502 -9.540 -6.766
240 2HE2 GLN 33 2HE2 GLN 33 4.026 -11.228 -6.922
241 H GLN 34 H GLN 34 1.988 -4.916 -7.077
242 HA GLN 34 HA GLN 34 4.145 -5.752 -5.261
243 1HB GLN 34 1HB GLN 34 4.945 -5.868 -7.811
244 2HB GLN 34 2HB GLN 34 4.923 -4.093 -7.658
245 1HG GLN 34 1HG GLN 34 6.568 -4.189 -5.882
246 2HG GLN 34 2HG GLN 34 6.595 -5.961 -5.983
247 1HE2 GLN 34 1HE2 GLN 34 6.509 -6.025 -8.982
248 2HE2 GLN 34 2HE2 GLN 34 8.113 -5.494 -9.463
249 H CYS 35 H CYS 35 5.227 -3.777 -4.430
250 HA CYS 35 HA CYS 35 3.394 -1.395 -4.415
251 1HB CYS 35 1HB CYS 35 5.506 -2.248 -2.437
252 2HB CYS 35 2HB CYS 35 4.695 -0.691 -2.404
253 H HIS 36 H HIS 36 4.145 0.637 -4.616
254 HA HIS 36 HA HIS 36 6.946 1.047 -5.527
255 1HB HIS 36 1HB HIS 36 6.289 2.225 -7.542
256 2HB HIS 36 2HB HIS 36 5.684 0.579 -7.576
257 HD1 HIS 36 1HD HIS 36 4.363 4.171 -6.873
258 HD2 HIS 36 2HD HIS 36 2.965 0.302 -8.037
259 HE1 HIS 36 1HE HIS 36 1.874 4.384 -7.447
260 HE2 HIS 36 2HE HIS 36 1.103 1.972 -8.135
261 HA PRO 37 HA PRO 37 6.434 4.854 -3.201
262 1HB PRO 37 1HB PRO 37 8.076 6.317 -5.214
263 2HB PRO 37 2HB PRO 37 8.392 6.077 -3.472
264 1HG PRO 37 1HG PRO 37 9.829 4.784 -5.430
265 2HG PRO 37 2HG PRO 37 9.454 4.034 -3.853
266 1HD PRO 37 1HD PRO 37 8.075 3.615 -6.506
267 2HD PRO 37 2HD PRO 37 8.531 2.419 -5.262
268 H PHE 38 H PHE 38 5.393 7.160 -3.541
269 HA PHE 38 HA PHE 38 4.631 7.803 -6.233
270 1HB PHE 38 1HB PHE 38 2.304 7.691 -6.092
271 2HB PHE 38 2HB PHE 38 2.845 6.114 -5.580
272 HD1 PHE 38 1HD PHE 38 2.985 5.736 -2.919
273 HD2 PHE 38 2HD PHE 38 0.664 8.819 -4.855
274 HE1 PHE 38 1HE PHE 38 1.430 5.855 -0.971
275 HE2 PHE 38 2HE PHE 38 -0.822 8.928 -2.903
276 HZ PHE 38 HZ PHE 38 -0.460 7.418 -0.965
277 H VAL 39 H VAL 39 3.542 9.943 -6.256
278 HA VAL 39 HA VAL 39 4.565 11.626 -4.062
279 HB VAL 39 HB VAL 39 3.252 12.381 -6.744
280 1HG1 VAL 39 1HG1 VAL 39 4.506 14.028 -4.523
281 2HG1 VAL 39 2HG1 VAL 39 4.110 14.669 -6.139
282 3HG1 VAL 39 3HG1 VAL 39 2.826 14.084 -5.071
283 1HG2 VAL 39 1HG2 VAL 39 5.527 13.162 -7.357
284 2HG2 VAL 39 2HG2 VAL 39 6.171 12.509 -5.837
285 3HG2 VAL 39 3HG2 VAL 39 5.517 11.418 -7.080
286 H TYR 40 H TYR 40 3.182 12.299 -2.504
287 HA TYR 40 HA TYR 40 0.263 12.154 -2.902
288 1HB TYR 40 1HB TYR 40 0.753 10.303 -1.556
289 2HB TYR 40 2HB TYR 40 2.036 11.101 -0.701
290 HD1 TYR 40 1HD TYR 40 1.667 11.675 1.463
291 HD2 TYR 40 2HD TYR 40 -1.669 11.627 -1.282
292 HE1 TYR 40 1HE TYR 40 0.182 12.342 3.286
293 HE2 TYR 40 2HE TYR 40 -3.168 12.375 0.540
294 HH TYR 40 HH TYR 40 -3.132 13.365 2.712
295 H GLY 41 H GLY 41 -0.767 13.904 -1.495
296 1HA GLY 41 1HA GLY 41 0.941 16.320 -1.633
297 2HA GLY 41 2HA GLY 41 -0.801 16.248 -1.678
298 H GLY 42 H GLY 42 0.037 14.299 0.905
299 1HA GLY 42 1HA GLY 42 0.183 14.567 3.172
300 2HA GLY 42 2HA GLY 42 0.588 16.269 2.978
301 H CYS 43 H CYS 43 -1.789 16.890 1.411
302 HA CYS 43 HA CYS 43 -3.920 16.904 3.422
303 1HB CYS 43 1HB CYS 43 -4.869 18.641 2.158
304 2HB CYS 43 2HB CYS 43 -3.155 18.956 2.245
305 H GLU 44 H GLU 44 -6.162 16.845 1.852
306 HA GLU 44 HA GLU 44 -7.106 14.372 1.829
307 1HB GLU 44 1HB GLU 44 -7.714 16.260 -0.454
308 2HB GLU 44 2HB GLU 44 -8.700 14.936 0.155
309 1HG GLU 44 1HG GLU 44 -9.718 16.700 1.165
310 2HG GLU 44 2HG GLU 44 -8.623 16.215 2.444
311 H GLY 45 H GLY 45 -6.959 12.439 0.711
312 1HA GLY 45 1HA GLY 45 -6.172 12.029 -1.960
313 2HA GLY 45 2HA GLY 45 -4.801 11.739 -0.869
314 H ASN 46 H ASN 46 -5.305 9.390 -1.740
315 HA ASN 46 HA ASN 46 -7.738 8.254 -0.476
316 1HB ASN 46 1HB ASN 46 -5.810 6.720 -2.219
317 2HB ASN 46 2HB ASN 46 -7.400 6.257 -1.719
318 1HD2 ASN 46 1HD2 ASN 46 -7.295 5.904 -4.292
319 2HD2 ASN 46 2HD2 ASN 46 -8.085 7.256 -5.101
320 H GLY 47 H GLY 47 -7.270 5.890 0.169
321 1HA GLY 47 1HA GLY 47 -5.692 6.155 2.661
322 2HA GLY 47 2HA GLY 47 -6.895 4.914 2.316
323 H ASN 48 H ASN 48 -5.101 4.790 -0.420
324 HA ASN 48 HA ASN 48 -3.489 2.502 0.473
325 1HB ASN 48 1HB ASN 48 -4.623 2.614 -1.770
326 2HB ASN 48 2HB ASN 48 -3.602 3.914 -2.231
327 1HD2 ASN 48 1HD2 ASN 48 -3.622 1.571 -3.672
328 2HD2 ASN 48 2HD2 ASN 48 -2.192 0.596 -3.482
329 H ASN 49 H ASN 49 -2.300 3.677 2.091
330 HA ASN 49 HA ASN 49 -0.072 5.342 1.015
331 1HB ASN 49 1HB ASN 49 -2.127 6.655 1.860
332 2HB ASN 49 2HB ASN 49 -1.784 6.015 3.458
333 1HD2 ASN 49 1HD2 ASN 49 -1.545 8.730 1.772
334 2HD2 ASN 49 2HD2 ASN 49 -0.083 9.417 2.407
335 H PHE 50 H PHE 50 1.619 4.072 1.531
336 HA PHE 50 HA PHE 50 1.742 2.798 4.189
337 1HB PHE 50 1HB PHE 50 2.945 1.909 1.552
338 2HB PHE 50 2HB PHE 50 3.351 1.198 3.042
339 HD1 PHE 50 1HD PHE 50 1.614 0.044 4.498
340 HD2 PHE 50 2HD PHE 50 0.654 1.481 0.538
341 HE1 PHE 50 1HE PHE 50 -0.555 -1.149 4.572
342 HE2 PHE 50 2HE PHE 50 -1.476 0.203 0.616
343 HZ PHE 50 HZ PHE 50 -2.099 -1.072 2.636
344 H HIS 51 H HIS 51 3.859 2.480 4.972
345 HA HIS 51 HA HIS 51 5.155 5.101 5.115
346 1HB HIS 51 1HB HIS 51 5.737 2.654 6.794
347 2HB HIS 51 2HB HIS 51 5.940 4.333 7.201
348 HD1 HIS 51 1HD HIS 51 3.302 5.659 7.489
349 HD2 HIS 51 2HD HIS 51 3.527 1.475 7.147
350 HE1 HIS 51 1HE HIS 51 0.931 4.757 7.993
351 HE2 HIS 51 2HE HIS 51 1.080 2.194 7.833
352 H SER 52 H SER 52 5.726 1.969 3.788
353 HA SER 52 HA SER 52 8.409 2.629 2.866
354 1HB SER 52 1HB SER 52 9.383 0.587 4.134
355 2HB SER 52 2HB SER 52 9.126 2.058 5.062
356 HG SER 52 HG SER 52 8.343 0.090 6.108
357 H ARG 53 H ARG 53 9.332 0.719 1.778
358 HA ARG 53 HA ARG 53 7.499 -0.615 -0.028
359 1HB ARG 53 1HB ARG 53 9.839 -0.130 -0.590
360 2HB ARG 53 2HB ARG 53 10.391 -1.177 0.714
361 1HG ARG 53 1HG ARG 53 10.556 -2.269 -1.388
362 2HG ARG 53 2HG ARG 53 9.407 -3.135 -0.378
363 1HD ARG 53 1HD ARG 53 7.579 -1.965 -1.735
364 2HD ARG 53 2HD ARG 53 8.824 -1.341 -2.773
365 HE ARG 53 HE ARG 53 8.406 -4.263 -2.252
366 1HH1 ARG 53 2HH2 ARG 53 8.378 -1.967 -4.906
367 2HH1 ARG 53 1HH2 ARG 53 9.037 -3.121 -6.010
368 1HH2 ARG 53 2HH1 ARG 53 8.655 -5.670 -3.728
369 2HH2 ARG 53 1HH1 ARG 53 9.157 -5.314 -5.374
370 H GLU 54 H GLU 54 9.317 -1.576 2.811
371 HA GLU 54 HA GLU 54 8.602 -4.195 3.291
372 1HB GLU 54 1HB GLU 54 10.326 -3.165 4.455
373 2HB GLU 54 2HB GLU 54 9.496 -1.703 4.743
374 1HG GLU 54 1HG GLU 54 8.546 -4.119 6.276
375 2HG GLU 54 2HG GLU 54 10.145 -3.472 6.667
376 H SER 55 H SER 55 7.166 -1.534 5.095
377 HA SER 55 HA SER 55 5.080 -3.058 6.033
378 1HB SER 55 1HB SER 55 3.776 -0.948 6.488
379 2HB SER 55 2HB SER 55 5.427 -0.960 7.102
380 HG SER 55 HG SER 55 6.084 0.336 5.475
381 H CYS 56 H CYS 56 5.115 -1.486 2.938
382 HA CYS 56 HA CYS 56 2.312 -1.887 2.380
383 1HB CYS 56 1HB CYS 56 4.150 -0.265 1.318
384 2HB CYS 56 2HB CYS 56 4.732 -1.647 0.481
385 H GLU 57 H GLU 57 5.246 -3.653 1.443
386 HA GLU 57 HA GLU 57 3.570 -5.629 0.079
387 1HB GLU 57 1HB GLU 57 6.559 -5.593 0.579
388 2HB GLU 57 2HB GLU 57 5.675 -6.951 -0.170
389 1HG GLU 57 1HG GLU 57 4.561 -5.196 -1.712
390 2HG GLU 57 2HG GLU 57 5.746 -4.044 -1.102
391 H ASP 58 H ASP 58 4.815 -5.270 3.379
392 HA ASP 58 HA ASP 58 3.935 -7.952 4.023
393 1HB ASP 58 1HB ASP 58 5.586 -6.659 5.420
394 2HB ASP 58 2HB ASP 58 4.221 -5.680 6.000
395 H ALA 59 H ALA 59 2.231 -4.729 3.730
396 HA ALA 59 HA ALA 59 -0.086 -5.695 5.069
397 1HB ALA 59 1HB ALA 59 0.337 -3.326 4.796
398 2HB ALA 59 2HB ALA 59 0.225 -3.473 3.023
399 3HB ALA 59 3HB ALA 59 -1.200 -3.775 4.034
400 H CYS 60 H CYS 60 0.732 -5.382 1.579
401 HA CYS 60 HA CYS 60 -1.283 -7.488 0.997
402 1HB CYS 60 1HB CYS 60 -0.821 -4.908 -0.454
403 2HB CYS 60 2HB CYS 60 -1.622 -6.312 -1.172
404 HA PRO 61 HA PRO 61 2.671 -9.074 -0.546
405 1HB PRO 61 1HB PRO 61 2.693 -11.446 0.811
406 2HB PRO 61 2HB PRO 61 3.023 -9.917 1.646
407 1HG PRO 61 1HG PRO 61 0.385 -11.398 1.520
408 2HG PRO 61 2HG PRO 61 1.255 -10.789 2.969
409 1HD PRO 61 1HD PRO 61 -0.725 -9.383 1.686
410 2HD PRO 61 2HD PRO 61 0.633 -8.586 2.528
411 H VAL 62 H VAL 62 2.681 -11.730 -1.023
412 HA VAL 62 HA VAL 62 0.609 -12.290 -3.094
413 HB VAL 62 HB VAL 62 3.227 -13.772 -2.728
414 1HG1 VAL 62 1HG1 VAL 62 1.515 -13.127 -5.179
415 2HG1 VAL 62 2HG1 VAL 62 2.982 -14.116 -5.187
416 3HG1 VAL 62 3HG1 VAL 62 1.541 -14.685 -4.349
417 1HG2 VAL 62 1HG2 VAL 62 4.049 -11.485 -2.932
418 2HG2 VAL 62 2HG2 VAL 62 4.273 -12.296 -4.479
419 3HG2 VAL 62 3HG2 VAL 62 2.924 -11.160 -4.265
420 H VAL 63 H VAL 63 1.134 -15.078 -2.735
421 HA VAL 63 HA VAL 63 -0.662 -15.807 -0.691
422 HB VAL 63 HB VAL 63 1.638 -17.539 -1.620
423 1HG1 VAL 63 1HG1 VAL 63 0.036 -19.420 -1.226
424 2HG1 VAL 63 2HG1 VAL 63 0.455 -18.564 0.252
425 3HG1 VAL 63 3HG1 VAL 63 -1.117 -18.261 -0.531
426 1HG2 VAL 63 1HG2 VAL 63 0.471 -16.738 -3.631
427 2HG2 VAL 63 2HG2 VAL 63 0.024 -18.412 -3.346
428 3HG2 VAL 63 3HG2 VAL 63 -1.104 -17.116 -2.899
429 H ASP 64 H ASP 64 -0.400 -16.655 1.348
430 HA ASP 64 HA ASP 64 0.642 -15.179 3.337
431 1HB ASP 64 1HB ASP 64 -0.956 -16.885 3.787
432 2HB ASP 64 2HB ASP 64 0.089 -18.155 3.166
433 H HIS 65 H HIS 65 2.676 -14.641 4.182
434 HA HIS 65 HA HIS 65 5.055 -15.857 3.192
435 1HB HIS 65 1HB HIS 65 4.630 -14.348 5.819
436 2HB HIS 65 2HB HIS 65 6.139 -14.604 4.996
437 HD1 HIS 65 1HD HIS 65 4.531 -11.775 5.899
438 HD2 HIS 65 2HD HIS 65 5.200 -13.425 2.040
439 HE1 HIS 65 1HE HIS 65 4.586 -9.827 4.279
440 HE2 HIS 65 2HE HIS 65 4.951 -10.777 1.939
441 H HIS 66 H HIS 66 5.136 -18.063 3.667
442 HA HIS 66 HA HIS 66 3.701 -19.610 4.988
443 1HB HIS 66 1HB HIS 66 5.719 -20.380 3.826
444 2HB HIS 66 2HB HIS 66 6.661 -20.121 5.303
445 HD1 HIS 66 1HD HIS 66 5.692 -21.572 7.490
446 HD2 HIS 66 2HD HIS 66 4.245 -22.587 3.663
447 HE1 HIS 66 1HE HIS 66 4.503 -23.874 7.736
448 HE2 HIS 66 2HE HIS 66 3.640 -24.475 5.378
449 H HIS 67 H HIS 67 2.633 -18.766 6.499
450 HA HIS 67 HA HIS 67 3.253 -19.438 9.310
451 1HB HIS 67 1HB HIS 67 1.622 -17.088 8.169
452 2HB HIS 67 2HB HIS 67 1.680 -17.533 9.874
453 HD1 HIS 67 1HD HIS 67 2.789 -14.831 7.866
454 HD2 HIS 67 2HD HIS 67 4.726 -17.513 10.554
455 HE1 HIS 67 1HE HIS 67 4.772 -13.599 8.801
456 HE2 HIS 67 2HE HIS 67 6.006 -15.208 10.399
457 H HIS 68 H HIS 68 0.252 -18.273 8.401
458 HA HIS 68 HA HIS 68 -1.170 -19.744 6.825
459 1HB HIS 68 1HB HIS 68 -0.784 -21.870 8.027
460 2HB HIS 68 2HB HIS 68 -1.410 -21.151 9.517
461 HD1 HIS 68 1HD HIS 68 -3.392 -20.456 6.229
462 HD2 HIS 68 2HD HIS 68 -3.481 -22.798 9.769
463 HE1 HIS 68 1HE HIS 68 -5.666 -21.393 6.365
464 HE2 HIS 68 2HE HIS 68 -5.795 -22.832 8.513
465 H HIS 69 H HIS 69 -1.031 -17.129 7.450
466 HA HIS 69 HA HIS 69 -2.790 -16.448 9.701
467 1HB HIS 69 1HB HIS 69 -2.322 -14.228 9.268
468 2HB HIS 69 2HB HIS 69 -0.810 -15.017 8.849
469 HD1 HIS 69 1HD HIS 69 0.052 -14.432 6.381
470 HD2 HIS 69 2HD HIS 69 -3.944 -13.356 7.288
471 HE1 HIS 69 1HE HIS 69 -0.830 -12.963 4.438
472 HE2 HIS 69 2HE HIS 69 -3.266 -12.264 5.136
473 H HIS 70 H HIS 70 -3.160 -17.370 6.391
474 HA HIS 70 HA HIS 70 -6.028 -17.082 6.481
475 1HB HIS 70 1HB HIS 70 -4.705 -15.237 5.000
476 2HB HIS 70 2HB HIS 70 -4.558 -16.590 3.883
477 HD1 HIS 70 1HD HIS 70 -6.631 -13.792 4.508
478 HD2 HIS 70 2HD HIS 70 -7.351 -17.870 3.743
479 HE1 HIS 70 1HE HIS 70 -9.044 -13.913 3.545
480 HE2 HIS 70 2HE HIS 70 -9.485 -16.433 3.099
Start of MODEL 16
1 1H GLU 1 1H GLU 1 -6.127 -8.281 6.845
2 2H GLU 1 2H GLU 1 -5.975 -8.884 5.342
3 3H GLU 1 H GLU 1 -5.068 -9.528 6.564
4 HA GLU 1 HA GLU 1 -6.979 -10.941 5.973
5 1HB GLU 1 1HB GLU 1 -5.907 -10.783 8.310
6 2HB GLU 1 2HB GLU 1 -7.216 -9.699 8.758
7 1HG GLU 1 1HG GLU 1 -7.669 -12.028 9.464
8 2HG GLU 1 2HG GLU 1 -8.880 -11.469 8.306
9 H ALA 2 H ALA 2 -9.362 -11.010 5.594
10 HA ALA 2 HA ALA 2 -10.928 -8.915 6.821
11 1HB ALA 2 1HB ALA 2 -11.156 -9.361 3.808
12 2HB ALA 2 2HB ALA 2 -12.139 -8.275 4.801
13 3HB ALA 2 3HB ALA 2 -10.424 -7.918 4.567
14 H GLU 3 H GLU 3 -13.347 -9.532 6.492
15 HA GLU 3 HA GLU 3 -13.590 -12.178 7.360
16 1HB GLU 3 1HB GLU 3 -15.555 -10.007 6.749
17 2HB GLU 3 2HB GLU 3 -16.165 -11.632 7.044
18 1HG GLU 3 1HG GLU 3 -14.285 -10.121 8.928
19 2HG GLU 3 2HG GLU 3 -16.038 -10.232 9.121
20 H ALA 4 H ALA 4 -13.696 -11.138 4.051
21 HA ALA 4 HA ALA 4 -14.983 -13.680 3.186
22 1HB ALA 4 1HB ALA 4 -15.424 -11.726 1.790
23 2HB ALA 4 2HB ALA 4 -13.693 -11.396 1.592
24 3HB ALA 4 3HB ALA 4 -14.409 -12.864 0.890
25 H GLU 5 H GLU 5 -11.984 -12.200 2.077
26 HA GLU 5 HA GLU 5 -10.293 -14.260 3.282
27 1HB GLU 5 1HB GLU 5 -10.468 -13.697 0.316
28 2HB GLU 5 2HB GLU 5 -8.931 -14.168 1.033
29 1HG GLU 5 1HG GLU 5 -11.491 -15.813 1.335
30 2HG GLU 5 2HG GLU 5 -10.289 -16.069 0.065
31 H PHE 6 H PHE 6 -9.724 -11.544 0.895
32 HA PHE 6 HA PHE 6 -9.174 -9.718 2.985
33 1HB PHE 6 1HB PHE 6 -7.055 -11.219 2.915
34 2HB PHE 6 2HB PHE 6 -6.770 -10.539 1.329
35 HD1 PHE 6 1HD PHE 6 -8.154 -8.004 3.689
36 HD2 PHE 6 2HD PHE 6 -4.543 -10.099 2.470
37 HE1 PHE 6 1HE PHE 6 -6.800 -6.184 4.554
38 HE2 PHE 6 2HE PHE 6 -3.205 -8.288 3.470
39 HZ PHE 6 HZ PHE 6 -4.310 -6.299 4.453
40 H THR 7 H THR 7 -8.775 -7.603 2.094
41 HA THR 7 HA THR 7 -8.213 -6.773 -0.442
42 HB THR 7 HB THR 7 -11.187 -6.721 0.300
43 HG1 THR 7 1HG THR 7 -10.106 -8.446 -1.063
44 1HG2 THR 7 1HG2 THR 7 -10.578 -4.455 -0.423
45 2HG2 THR 7 2HG2 THR 7 -9.671 -5.095 -1.802
46 3HG2 THR 7 3HG2 THR 7 -11.439 -5.255 -1.741
47 H ASP 8 H ASP 8 -7.651 -4.559 -0.050
48 HA ASP 8 HA ASP 8 -8.492 -3.161 2.375
49 1HB ASP 8 1HB ASP 8 -6.454 -4.451 2.850
50 2HB ASP 8 2HB ASP 8 -5.692 -3.868 1.386
51 H ALA 9 H ALA 9 -7.343 -0.903 2.107
52 HA ALA 9 HA ALA 9 -8.195 0.488 -0.267
53 1HB ALA 9 1HB ALA 9 -7.750 1.590 1.934
54 2HB ALA 9 2HB ALA 9 -6.020 1.206 1.754
55 3HB ALA 9 3HB ALA 9 -6.808 2.304 0.604
56 H CYS 10 H CYS 10 -5.292 -1.404 0.522
57 HA CYS 10 HA CYS 10 -3.422 -0.469 -1.280
58 1HB CYS 10 1HB CYS 10 -2.358 -2.500 -0.905
59 2HB CYS 10 2HB CYS 10 -3.390 -2.358 0.482
60 H VAL 11 H VAL 11 -6.396 -2.248 -2.090
61 HA VAL 11 HA VAL 11 -5.536 -2.907 -4.799
62 HB VAL 11 HB VAL 11 -8.302 -2.988 -3.511
63 1HG1 VAL 11 1HG1 VAL 11 -7.237 -4.507 -5.936
64 2HG1 VAL 11 2HG1 VAL 11 -8.847 -4.680 -5.207
65 3HG1 VAL 11 3HG1 VAL 11 -8.402 -3.164 -5.989
66 1HG2 VAL 11 1HG2 VAL 11 -6.823 -4.413 -2.201
67 2HG2 VAL 11 2HG2 VAL 11 -7.808 -5.454 -3.225
68 3HG2 VAL 11 3HG2 VAL 11 -6.123 -5.123 -3.671
69 H LEU 12 H LEU 12 -6.850 -0.143 -3.251
70 HA LEU 12 HA LEU 12 -8.206 1.045 -5.501
71 1HB LEU 12 1HB LEU 12 -9.295 1.622 -3.819
72 2HB LEU 12 2HB LEU 12 -8.038 1.518 -2.608
73 HG LEU 12 HG LEU 12 -7.393 3.879 -3.397
74 1HD1 LEU 12 1HD1 LEU 12 -8.469 4.322 -5.458
75 2HD1 LEU 12 2HD1 LEU 12 -9.963 3.457 -5.002
76 3HD1 LEU 12 3HD1 LEU 12 -9.601 5.049 -4.331
77 1HD2 LEU 12 1HD2 LEU 12 -9.302 4.789 -2.028
78 2HD2 LEU 12 2HD2 LEU 12 -10.094 3.208 -2.151
79 3HD2 LEU 12 3HD2 LEU 12 -8.533 3.353 -1.327
80 HA PRO 13 HA PRO 13 -4.495 2.854 -7.175
81 1HB PRO 13 1HB PRO 13 -6.415 5.033 -7.957
82 2HB PRO 13 2HB PRO 13 -5.185 4.219 -8.963
83 1HG PRO 13 1HG PRO 13 -7.837 3.559 -9.170
84 2HG PRO 13 2HG PRO 13 -6.552 2.316 -9.284
85 1HD PRO 13 1HD PRO 13 -8.389 2.877 -6.960
86 2HD PRO 13 2HD PRO 13 -7.682 1.354 -7.500
87 H ALA 14 H ALA 14 -3.214 4.749 -6.846
88 HA ALA 14 HA ALA 14 -3.624 6.028 -4.212
89 1HB ALA 14 1HB ALA 14 -1.324 6.763 -4.493
90 2HB ALA 14 2HB ALA 14 -1.419 5.026 -4.786
91 3HB ALA 14 3HB ALA 14 -1.273 6.158 -6.160
92 H VAL 15 H VAL 15 -3.270 8.434 -4.083
93 HA VAL 15 HA VAL 15 -3.819 9.993 -6.504
94 HB VAL 15 HB VAL 15 -5.552 9.855 -4.025
95 1HG1 VAL 15 1HG1 VAL 15 -5.541 12.178 -5.973
96 2HG1 VAL 15 2HG1 VAL 15 -6.814 11.836 -4.779
97 3HG1 VAL 15 3HG1 VAL 15 -5.199 12.212 -4.218
98 1HG2 VAL 15 1HG2 VAL 15 -6.250 9.874 -7.003
99 2HG2 VAL 15 2HG2 VAL 15 -6.238 8.442 -5.960
100 3HG2 VAL 15 3HG2 VAL 15 -7.414 9.725 -5.666
101 H GLN 16 H GLN 16 -3.113 12.076 -6.235
102 HA GLN 16 HA GLN 16 -0.922 12.512 -4.341
103 1HB GLN 16 1HB GLN 16 -2.026 14.071 -6.697
104 2HB GLN 16 2HB GLN 16 -0.941 14.845 -5.528
105 1HG GLN 16 1HG GLN 16 0.773 13.227 -5.879
106 2HG GLN 16 2HG GLN 16 -0.264 12.209 -6.890
107 1HE2 GLN 16 1HE2 GLN 16 1.560 15.361 -6.785
108 2HE2 GLN 16 2HE2 GLN 16 1.757 15.334 -8.523
109 H GLY 17 H GLY 17 -3.743 14.594 -5.167
110 1HA GLY 17 1HA GLY 17 -5.398 14.814 -3.209
111 2HA GLY 17 2HA GLY 17 -3.966 15.407 -2.341
112 HA PRO 18 HA PRO 18 -5.796 18.862 -4.954
113 1HB PRO 18 1HB PRO 18 -6.940 20.460 -3.051
114 2HB PRO 18 2HB PRO 18 -7.780 19.057 -3.775
115 1HG PRO 18 1HG PRO 18 -6.328 19.194 -1.123
116 2HG PRO 18 2HG PRO 18 -7.931 18.484 -1.477
117 1HD PRO 18 1HD PRO 18 -5.625 16.986 -1.331
118 2HD PRO 18 2HD PRO 18 -6.981 16.550 -2.402
119 H CYS 19 H CYS 19 -3.668 18.589 -2.225
120 HA CYS 19 HA CYS 19 -2.680 21.303 -2.233
121 1HB CYS 19 1HB CYS 19 -1.628 18.747 -0.991
122 2HB CYS 19 2HB CYS 19 -0.880 20.310 -0.746
123 H ARG 20 H ARG 20 -0.116 21.377 -2.309
124 HA ARG 20 HA ARG 20 0.784 20.332 -4.940
125 1HB ARG 20 1HB ARG 20 0.521 23.236 -4.143
126 2HB ARG 20 2HB ARG 20 1.752 22.701 -5.264
127 1HG ARG 20 1HG ARG 20 0.300 22.680 -6.951
128 2HG ARG 20 2HG ARG 20 -0.686 21.466 -6.170
129 1HD ARG 20 1HD ARG 20 -0.933 24.458 -5.702
130 2HD ARG 20 2HD ARG 20 -1.875 23.546 -6.880
131 HE ARG 20 HE ARG 20 -2.790 22.188 -5.010
132 1HH1 ARG 20 2HH2 ARG 20 -1.711 25.507 -4.328
133 2HH1 ARG 20 1HH2 ARG 20 -2.888 25.784 -3.093
134 1HH2 ARG 20 2HH1 ARG 20 -4.344 22.562 -3.474
135 2HH2 ARG 20 1HH1 ARG 20 -4.447 24.022 -2.545
136 H GLY 21 H GLY 21 1.431 20.124 -1.966
137 1HA GLY 21 1HA GLY 21 4.397 20.572 -2.037
138 2HA GLY 21 2HA GLY 21 3.443 20.099 -0.586
139 H TRP 22 H TRP 22 5.647 18.370 -1.830
140 HA TRP 22 HA TRP 22 3.959 16.138 -2.791
141 1HB TRP 22 1HB TRP 22 6.602 17.101 -3.921
142 2HB TRP 22 2HB TRP 22 5.781 15.644 -4.410
143 HD1 TRP 22 HD TRP 22 6.512 18.565 -5.937
144 HE1 TRP 22 1HE TRP 22 4.716 19.676 -7.370
145 HE3 TRP 22 3HE TRP 22 2.368 16.069 -4.189
146 HZ2 TRP 22 2HZ TRP 22 1.843 19.574 -7.676
147 HZ3 TRP 22 3HZ TRP 22 0.124 16.702 -4.989
148 HH2 TRP 22 HH TRP 22 -0.159 18.410 -6.748
149 H GLU 23 H GLU 23 4.021 14.747 -1.374
150 HA GLU 23 HA GLU 23 6.270 14.271 0.498
151 1HB GLU 23 1HB GLU 23 4.182 15.110 1.443
152 2HB GLU 23 2HB GLU 23 3.232 13.905 0.581
153 1HG GLU 23 1HG GLU 23 3.313 13.266 2.833
154 2HG GLU 23 2HG GLU 23 4.249 12.113 1.898
155 HA PRO 24 HA PRO 24 6.354 10.396 -2.106
156 1HB PRO 24 1HB PRO 24 8.632 9.297 -1.095
157 2HB PRO 24 2HB PRO 24 8.646 10.655 -2.262
158 1HG PRO 24 1HG PRO 24 8.933 10.786 0.756
159 2HG PRO 24 2HG PRO 24 9.934 11.598 -0.490
160 1HD PRO 24 1HD PRO 24 7.900 12.862 0.801
161 2HD PRO 24 2HD PRO 24 8.257 13.207 -0.914
162 H ARG 25 H ARG 25 5.131 8.729 -1.678
163 HA ARG 25 HA ARG 25 5.326 7.358 0.945
164 1HB ARG 25 1HB ARG 25 2.766 8.305 -0.414
165 2HB ARG 25 2HB ARG 25 2.757 7.022 0.794
166 1HG ARG 25 1HG ARG 25 3.761 9.858 1.306
167 2HG ARG 25 2HG ARG 25 2.180 9.229 1.732
168 1HD ARG 25 1HD ARG 25 3.189 7.492 3.140
169 2HD ARG 25 2HD ARG 25 4.811 8.080 2.780
170 HE ARG 25 HE ARG 25 2.795 9.326 4.491
171 1HH1 ARG 25 2HH2 ARG 25 5.920 9.831 2.758
172 2HH1 ARG 25 1HH2 ARG 25 6.266 11.276 3.588
173 1HH2 ARG 25 2HH1 ARG 25 3.419 11.258 5.700
174 2HH2 ARG 25 1HH1 ARG 25 4.814 12.117 5.170
175 H TRP 26 H TRP 26 3.908 5.210 0.676
176 HA TRP 26 HA TRP 26 4.839 3.934 -1.868
177 1HB TRP 26 1HB TRP 26 4.790 3.004 1.025
178 2HB TRP 26 2HB TRP 26 4.791 1.859 -0.311
179 HD1 TRP 26 HD TRP 26 7.025 4.579 1.263
180 HE1 TRP 26 1HE TRP 26 9.433 4.248 0.465
181 HE3 TRP 26 3HE TRP 26 6.243 0.717 -1.962
182 HZ2 TRP 26 2HZ TRP 26 10.844 2.519 -1.445
183 HZ3 TRP 26 3HZ TRP 26 8.038 0.001 -3.520
184 HH2 TRP 26 HH TRP 26 10.345 0.722 -3.137
185 H ALA 27 H ALA 27 3.259 2.702 -2.998
186 HA ALA 27 HA ALA 27 0.685 2.241 -1.629
187 1HB ALA 27 1HB ALA 27 -0.512 2.807 -3.777
188 2HB ALA 27 2HB ALA 27 0.118 4.199 -2.902
189 3HB ALA 27 3HB ALA 27 0.968 3.581 -4.354
190 H TYR 28 H TYR 28 -0.333 0.403 -2.298
191 HA TYR 28 HA TYR 28 1.332 -1.574 -3.714
192 1HB TYR 28 1HB TYR 28 -0.103 -2.150 -1.698
193 2HB TYR 28 2HB TYR 28 -1.502 -1.778 -2.674
194 HD1 TYR 28 1HD TYR 28 -2.526 -3.481 -4.034
195 HD2 TYR 28 2HD TYR 28 1.457 -4.126 -2.496
196 HE1 TYR 28 1HE TYR 28 -2.593 -5.848 -4.761
197 HE2 TYR 28 2HE TYR 28 1.412 -6.412 -3.271
198 HH TYR 28 HH TYR 28 -0.087 -8.128 -3.819
199 H SER 29 H SER 29 0.846 -2.427 -5.707
200 HA SER 29 HA SER 29 -1.405 -1.238 -7.231
201 1HB SER 29 1HB SER 29 1.492 -1.636 -7.935
202 2HB SER 29 2HB SER 29 0.324 -1.478 -9.213
203 HG SER 29 HG SER 29 0.012 0.223 -7.054
204 HA PRO 30 HA PRO 30 -2.086 -5.729 -7.101
205 1HB PRO 30 1HB PRO 30 -4.622 -5.743 -8.177
206 2HB PRO 30 2HB PRO 30 -4.281 -5.395 -6.454
207 1HG PRO 30 1HG PRO 30 -4.762 -3.428 -8.706
208 2HG PRO 30 2HG PRO 30 -5.448 -3.413 -7.055
209 1HD PRO 30 1HD PRO 30 -3.319 -1.881 -7.742
210 2HD PRO 30 2HD PRO 30 -3.428 -2.621 -6.120
211 H LEU 31 H LEU 31 -2.658 -3.488 -9.771
212 HA LEU 31 HA LEU 31 -2.476 -5.329 -11.941
213 1HB LEU 31 1HB LEU 31 -2.149 -2.354 -11.661
214 2HB LEU 31 2HB LEU 31 -1.793 -3.153 -13.190
215 HG LEU 31 HG LEU 31 -4.442 -3.579 -11.752
216 1HD1 LEU 31 1HD1 LEU 31 -4.152 -1.198 -12.198
217 2HD1 LEU 31 2HD1 LEU 31 -3.744 -1.551 -13.899
218 3HD1 LEU 31 3HD1 LEU 31 -5.377 -1.901 -13.273
219 1HD2 LEU 31 1HD2 LEU 31 -5.235 -4.203 -14.032
220 2HD2 LEU 31 2HD2 LEU 31 -3.588 -3.991 -14.663
221 3HD2 LEU 31 3HD2 LEU 31 -3.946 -5.276 -13.495
222 H LEU 32 H LEU 32 -0.016 -4.216 -9.758
223 HA LEU 32 HA LEU 32 2.116 -5.216 -11.589
224 1HB LEU 32 1HB LEU 32 2.004 -3.159 -9.387
225 2HB LEU 32 2HB LEU 32 3.527 -3.895 -9.776
226 HG LEU 32 HG LEU 32 1.837 -2.477 -11.877
227 1HD1 LEU 32 1HD1 LEU 32 2.465 -0.846 -10.174
228 2HD1 LEU 32 2HD1 LEU 32 4.160 -1.397 -10.222
229 3HD1 LEU 32 3HD1 LEU 32 3.432 -0.584 -11.626
230 1HD2 LEU 32 1HD2 LEU 32 4.772 -3.333 -11.851
231 2HD2 LEU 32 2HD2 LEU 32 3.478 -4.052 -12.828
232 3HD2 LEU 32 3HD2 LEU 32 3.983 -2.394 -13.139
233 H GLN 33 H GLN 33 0.120 -6.001 -8.967
234 HA GLN 33 HA GLN 33 0.162 -7.190 -7.161
235 1HB GLN 33 1HB GLN 33 0.269 -8.822 -9.063
236 2HB GLN 33 2HB GLN 33 2.002 -8.971 -8.810
237 1HG GLN 33 1HG GLN 33 0.618 -9.272 -6.284
238 2HG GLN 33 2HG GLN 33 -0.205 -10.283 -7.460
239 1HE2 GLN 33 1HE2 GLN 33 3.280 -9.509 -6.946
240 2HE2 GLN 33 2HE2 GLN 33 3.816 -11.195 -6.994
241 H GLN 34 H GLN 34 1.803 -4.968 -6.910
242 HA GLN 34 HA GLN 34 3.808 -5.856 -4.958
243 1HB GLN 34 1HB GLN 34 4.759 -6.103 -7.450
244 2HB GLN 34 2HB GLN 34 4.832 -4.326 -7.350
245 1HG GLN 34 1HG GLN 34 6.368 -4.432 -5.502
246 2HG GLN 34 2HG GLN 34 6.267 -6.204 -5.480
247 1HE2 GLN 34 1HE2 GLN 34 6.366 -6.511 -8.449
248 2HE2 GLN 34 2HE2 GLN 34 8.029 -6.122 -8.867
249 H CYS 35 H CYS 35 4.955 -3.926 -4.119
250 HA CYS 35 HA CYS 35 3.269 -1.453 -4.272
251 1HB CYS 35 1HB CYS 35 5.250 -2.348 -2.180
252 2HB CYS 35 2HB CYS 35 4.588 -0.724 -2.263
253 H HIS 36 H HIS 36 4.106 0.492 -4.544
254 HA HIS 36 HA HIS 36 6.957 0.773 -5.324
255 1HB HIS 36 1HB HIS 36 6.497 1.829 -7.449
256 2HB HIS 36 2HB HIS 36 5.812 0.216 -7.422
257 HD1 HIS 36 1HD HIS 36 4.640 3.909 -7.079
258 HD2 HIS 36 2HD HIS 36 3.113 0.032 -8.009
259 HE1 HIS 36 1HE HIS 36 2.220 4.199 -7.856
260 HE2 HIS 36 2HE HIS 36 1.352 1.779 -8.378
261 HA PRO 37 HA PRO 37 6.501 4.714 -3.265
262 1HB PRO 37 1HB PRO 37 8.220 5.977 -5.371
263 2HB PRO 37 2HB PRO 37 8.458 5.941 -3.600
264 1HG PRO 37 1HG PRO 37 9.966 4.404 -5.291
265 2HG PRO 37 2HG PRO 37 9.437 3.806 -3.691
266 1HD PRO 37 1HD PRO 37 8.231 3.218 -6.399
267 2HD PRO 37 2HD PRO 37 8.566 2.110 -5.045
268 H PHE 38 H PHE 38 5.487 7.004 -3.704
269 HA PHE 38 HA PHE 38 4.761 7.593 -6.415
270 1HB PHE 38 1HB PHE 38 2.432 7.482 -6.293
271 2HB PHE 38 2HB PHE 38 2.954 5.926 -5.700
272 HD1 PHE 38 1HD PHE 38 3.023 5.626 -3.053
273 HD2 PHE 38 2HD PHE 38 0.876 8.765 -5.088
274 HE1 PHE 38 1HE PHE 38 1.489 5.897 -1.104
275 HE2 PHE 38 2HE PHE 38 -0.569 9.053 -3.123
276 HZ PHE 38 HZ PHE 38 -0.298 7.580 -1.138
277 H VAL 39 H VAL 39 3.580 9.748 -6.433
278 HA VAL 39 HA VAL 39 4.673 11.455 -4.291
279 HB VAL 39 HB VAL 39 3.269 12.236 -6.914
280 1HG1 VAL 39 1HG1 VAL 39 4.244 14.485 -6.334
281 2HG1 VAL 39 2HG1 VAL 39 3.000 13.940 -5.201
282 3HG1 VAL 39 3HG1 VAL 39 4.704 13.812 -4.748
283 1HG2 VAL 39 1HG2 VAL 39 5.545 12.941 -7.632
284 2HG2 VAL 39 2HG2 VAL 39 6.237 12.238 -6.155
285 3HG2 VAL 39 3HG2 VAL 39 5.477 11.195 -7.380
286 H TYR 40 H TYR 40 3.378 11.989 -2.638
287 HA TYR 40 HA TYR 40 0.435 11.879 -2.921
288 1HB TYR 40 1HB TYR 40 1.021 10.127 -1.465
289 2HB TYR 40 2HB TYR 40 2.316 11.014 -0.724
290 HD1 TYR 40 1HD TYR 40 2.005 11.678 1.420
291 HD2 TYR 40 2HD TYR 40 -1.417 11.492 -1.213
292 HE1 TYR 40 1HE TYR 40 0.582 12.463 3.245
293 HE2 TYR 40 2HE TYR 40 -2.846 12.374 0.593
294 HH TYR 40 HH TYR 40 -2.782 13.441 2.659
295 H GLY 41 H GLY 41 -0.547 13.737 -1.539
296 1HA GLY 41 1HA GLY 41 1.207 16.105 -1.877
297 2HA GLY 41 2HA GLY 41 -0.517 16.088 -1.991
298 H GLY 42 H GLY 42 0.361 14.274 0.738
299 1HA GLY 42 1HA GLY 42 0.656 14.657 2.945
300 2HA GLY 42 2HA GLY 42 1.131 16.320 2.600
301 H CYS 43 H CYS 43 -1.761 16.270 1.232
302 HA CYS 43 HA CYS 43 -3.443 16.536 3.633
303 1HB CYS 43 1HB CYS 43 -4.507 18.404 2.829
304 2HB CYS 43 2HB CYS 43 -2.808 18.711 2.574
305 H GLU 44 H GLU 44 -5.905 16.630 2.315
306 HA GLU 44 HA GLU 44 -6.812 14.142 2.348
307 1HB GLU 44 1HB GLU 44 -7.730 16.048 0.189
308 2HB GLU 44 2HB GLU 44 -8.615 14.712 0.916
309 1HG GLU 44 1HG GLU 44 -9.502 16.459 2.067
310 2HG GLU 44 2HG GLU 44 -8.240 15.978 3.183
311 H GLY 45 H GLY 45 -6.805 12.231 1.150
312 1HA GLY 45 1HA GLY 45 -6.089 11.958 -1.596
313 2HA GLY 45 2HA GLY 45 -4.760 11.530 -0.519
314 H ASN 46 H ASN 46 -5.359 9.260 -1.534
315 HA ASN 46 HA ASN 46 -7.805 8.123 -0.279
316 1HB ASN 46 1HB ASN 46 -5.921 6.600 -2.085
317 2HB ASN 46 2HB ASN 46 -7.525 6.161 -1.593
318 1HD2 ASN 46 1HD2 ASN 46 -7.227 5.934 -4.265
319 2HD2 ASN 46 2HD2 ASN 46 -8.047 7.304 -4.995
320 H GLY 47 H GLY 47 -7.367 5.739 0.299
321 1HA GLY 47 1HA GLY 47 -5.737 5.887 2.753
322 2HA GLY 47 2HA GLY 47 -6.907 4.627 2.348
323 H ASN 48 H ASN 48 -5.196 4.694 -0.411
324 HA ASN 48 HA ASN 48 -3.429 2.471 0.360
325 1HB ASN 48 1HB ASN 48 -4.706 2.481 -1.780
326 2HB ASN 48 2HB ASN 48 -3.824 3.846 -2.346
327 1HD2 ASN 48 1HD2 ASN 48 -3.709 1.628 -3.845
328 2HD2 ASN 48 2HD2 ASN 48 -2.253 0.678 -3.696
329 H ASN 49 H ASN 49 -2.268 3.786 1.921
330 HA ASN 49 HA ASN 49 -0.093 5.413 0.720
331 1HB ASN 49 1HB ASN 49 -2.092 6.854 1.378
332 2HB ASN 49 2HB ASN 49 -1.872 6.316 3.039
333 1HD2 ASN 49 1HD2 ASN 49 -1.495 8.954 1.353
334 2HD2 ASN 49 2HD2 ASN 49 -0.002 9.595 1.970
335 H PHE 50 H PHE 50 1.603 4.231 1.388
336 HA PHE 50 HA PHE 50 1.668 3.148 4.131
337 1HB PHE 50 1HB PHE 50 2.862 2.043 1.574
338 2HB PHE 50 2HB PHE 50 3.199 1.400 3.111
339 HD1 PHE 50 1HD PHE 50 0.592 1.635 0.515
340 HD2 PHE 50 2HD PHE 50 1.342 0.466 4.603
341 HE1 PHE 50 1HE PHE 50 -1.619 0.505 0.618
342 HE2 PHE 50 2HE PHE 50 -0.908 -0.563 4.703
343 HZ PHE 50 HZ PHE 50 -2.392 -0.546 2.711
344 H HIS 51 H HIS 51 3.800 2.830 4.949
345 HA HIS 51 HA HIS 51 5.140 5.441 4.890
346 1HB HIS 51 1HB HIS 51 5.675 3.119 6.753
347 2HB HIS 51 2HB HIS 51 5.920 4.821 7.026
348 HD1 HIS 51 1HD HIS 51 3.319 6.226 7.201
349 HD2 HIS 51 2HD HIS 51 3.448 2.024 7.210
350 HE1 HIS 51 1HE HIS 51 0.922 5.423 7.762
351 HE2 HIS 51 2HE HIS 51 1.018 2.850 7.820
352 H SER 52 H SER 52 5.658 2.230 3.786
353 HA SER 52 HA SER 52 8.400 2.742 2.917
354 1HB SER 52 1HB SER 52 9.150 0.666 4.374
355 2HB SER 52 2HB SER 52 9.041 2.251 5.146
356 HG SER 52 HG SER 52 7.909 0.300 6.223
357 H ARG 53 H ARG 53 9.288 0.696 1.970
358 HA ARG 53 HA ARG 53 7.441 -0.617 0.181
359 1HB ARG 53 1HB ARG 53 9.811 -0.312 -0.350
360 2HB ARG 53 2HB ARG 53 10.277 -1.302 1.029
361 1HG ARG 53 1HG ARG 53 10.404 -2.522 -1.040
362 2HG ARG 53 2HG ARG 53 9.244 -3.275 0.046
363 1HD ARG 53 1HD ARG 53 7.422 -2.131 -1.338
364 2HD ARG 53 2HD ARG 53 8.661 -1.610 -2.439
365 HE ARG 53 HE ARG 53 8.069 -4.473 -1.764
366 1HH1 ARG 53 2HH2 ARG 53 8.254 -2.319 -4.512
367 2HH1 ARG 53 1HH2 ARG 53 8.893 -3.552 -5.543
368 1HH2 ARG 53 2HH1 ARG 53 8.326 -5.961 -3.159
369 2HH2 ARG 53 1HH1 ARG 53 8.892 -5.716 -4.805
370 H GLU 54 H GLU 54 9.159 -1.607 3.087
371 HA GLU 54 HA GLU 54 8.280 -4.163 3.614
372 1HB GLU 54 1HB GLU 54 10.061 -3.194 4.762
373 2HB GLU 54 2HB GLU 54 9.288 -1.696 5.027
374 1HG GLU 54 1HG GLU 54 7.936 -3.722 6.640
375 2HG GLU 54 2HG GLU 54 9.687 -3.843 6.856
376 H SER 55 H SER 55 6.982 -1.445 5.464
377 HA SER 55 HA SER 55 4.755 -2.713 6.311
378 1HB SER 55 1HB SER 55 3.614 -0.578 6.745
379 2HB SER 55 2HB SER 55 5.306 -0.584 7.251
380 HG SER 55 HG SER 55 5.857 0.667 5.568
381 H CYS 56 H CYS 56 4.987 -1.383 3.117
382 HA CYS 56 HA CYS 56 2.147 -1.558 2.547
383 1HB CYS 56 1HB CYS 56 4.091 -0.114 1.455
384 2HB CYS 56 2HB CYS 56 4.568 -1.555 0.640
385 H GLU 57 H GLU 57 4.963 -3.561 1.732
386 HA GLU 57 HA GLU 57 3.163 -5.516 0.520
387 1HB GLU 57 1HB GLU 57 6.131 -5.476 0.828
388 2HB GLU 57 2HB GLU 57 5.293 -7.026 0.513
389 1HG GLU 57 1HG GLU 57 4.108 -6.111 -1.395
390 2HG GLU 57 2HG GLU 57 4.667 -4.480 -1.037
391 H ASP 58 H ASP 58 4.396 -5.037 3.779
392 HA ASP 58 HA ASP 58 3.396 -7.541 4.783
393 1HB ASP 58 1HB ASP 58 4.924 -6.059 6.051
394 2HB ASP 58 2HB ASP 58 3.653 -4.836 6.154
395 H ALA 59 H ALA 59 1.821 -4.271 4.106
396 HA ALA 59 HA ALA 59 -0.673 -5.135 5.232
397 1HB ALA 59 1HB ALA 59 -0.074 -2.960 3.185
398 2HB ALA 59 2HB ALA 59 -1.583 -3.158 4.097
399 3HB ALA 59 3HB ALA 59 -0.072 -2.775 4.955
400 H CYS 60 H CYS 60 0.620 -5.147 1.859
401 HA CYS 60 HA CYS 60 -1.407 -7.150 1.133
402 1HB CYS 60 1HB CYS 60 -1.015 -4.498 -0.192
403 2HB CYS 60 2HB CYS 60 -1.521 -5.915 -1.109
404 HA PRO 61 HA PRO 61 2.727 -8.434 -0.143
405 1HB PRO 61 1HB PRO 61 2.489 -11.122 0.281
406 2HB PRO 61 2HB PRO 61 2.448 -9.950 1.620
407 1HG PRO 61 1HG PRO 61 0.062 -11.110 0.133
408 2HG PRO 61 2HG PRO 61 0.390 -11.184 1.902
409 1HD PRO 61 1HD PRO 61 -1.146 -9.231 0.824
410 2HD PRO 61 2HD PRO 61 -0.004 -8.864 2.156
411 H VAL 62 H VAL 62 3.135 -10.746 -1.375
412 HA VAL 62 HA VAL 62 2.264 -10.564 -4.226
413 HB VAL 62 HB VAL 62 4.610 -11.699 -2.628
414 1HG1 VAL 62 1HG1 VAL 62 4.652 -13.345 -4.212
415 2HG1 VAL 62 2HG1 VAL 62 4.043 -12.307 -5.512
416 3HG1 VAL 62 3HG1 VAL 62 5.710 -12.146 -4.928
417 1HG2 VAL 62 1HG2 VAL 62 4.541 -9.557 -4.798
418 2HG2 VAL 62 2HG2 VAL 62 4.701 -9.256 -3.063
419 3HG2 VAL 62 3HG2 VAL 62 5.985 -10.104 -3.915
420 H VAL 63 H VAL 63 2.773 -13.360 -4.523
421 HA VAL 63 HA VAL 63 0.323 -14.555 -3.786
422 HB VAL 63 HB VAL 63 2.746 -16.300 -3.758
423 1HG1 VAL 63 1HG1 VAL 63 -0.022 -16.683 -4.934
424 2HG1 VAL 63 2HG1 VAL 63 1.273 -17.898 -4.886
425 3HG1 VAL 63 3HG1 VAL 63 0.560 -17.317 -3.376
426 1HG2 VAL 63 1HG2 VAL 63 1.558 -15.066 -6.295
427 2HG2 VAL 63 2HG2 VAL 63 3.234 -14.906 -5.726
428 3HG2 VAL 63 3HG2 VAL 63 2.649 -16.472 -6.284
429 H ASP 64 H ASP 64 -0.398 -15.407 -1.964
430 HA ASP 64 HA ASP 64 1.201 -14.910 0.511
431 1HB ASP 64 1HB ASP 64 -0.636 -13.309 0.144
432 2HB ASP 64 2HB ASP 64 -1.795 -14.637 0.109
433 H HIS 65 H HIS 65 0.510 -15.984 2.343
434 HA HIS 65 HA HIS 65 0.539 -18.839 2.241
435 1HB HIS 65 1HB HIS 65 -0.125 -17.056 4.638
436 2HB HIS 65 2HB HIS 65 0.742 -18.583 4.662
437 HD1 HIS 65 1HD HIS 65 1.234 -14.829 3.856
438 HD2 HIS 65 2HD HIS 65 3.483 -18.399 4.352
439 HE1 HIS 65 1HE HIS 65 3.672 -14.122 4.051
440 HE2 HIS 65 2HE HIS 65 5.059 -16.285 4.321
441 H HIS 66 H HIS 66 -1.517 -20.012 3.543
442 HA HIS 66 HA HIS 66 -3.948 -18.556 2.661
443 1HB HIS 66 1HB HIS 66 -4.003 -20.979 2.358
444 2HB HIS 66 2HB HIS 66 -3.930 -21.194 4.120
445 HD1 HIS 66 1HD HIS 66 -6.213 -19.147 1.608
446 HD2 HIS 66 2HD HIS 66 -6.218 -21.033 5.403
447 HE1 HIS 66 1HE HIS 66 -8.548 -18.875 2.545
448 HE2 HIS 66 2HE HIS 66 -8.589 -20.026 4.826
449 H HIS 67 H HIS 67 -3.377 -16.692 3.913
450 HA HIS 67 HA HIS 67 -3.355 -16.422 6.719
451 1HB HIS 67 1HB HIS 67 -4.005 -14.112 6.203
452 2HB HIS 67 2HB HIS 67 -2.922 -14.633 4.916
453 HD1 HIS 67 1HD HIS 67 -6.532 -13.777 5.644
454 HD2 HIS 67 2HD HIS 67 -4.219 -15.380 2.500
455 HE1 HIS 67 1HE HIS 67 -8.159 -14.398 3.785
456 HE2 HIS 67 2HE HIS 67 -6.827 -15.414 1.912
457 H HIS 68 H HIS 68 -5.319 -15.867 8.210
458 HA HIS 68 HA HIS 68 -7.849 -15.930 7.088
459 1HB HIS 68 1HB HIS 68 -7.087 -18.592 7.322
460 2HB HIS 68 2HB HIS 68 -7.885 -18.334 8.864
461 HD1 HIS 68 1HD HIS 68 -10.641 -18.784 8.610
462 HD2 HIS 68 2HD HIS 68 -8.636 -17.266 5.140
463 HE1 HIS 68 1HE HIS 68 -12.369 -18.380 6.904
464 HE2 HIS 68 2HE HIS 68 -11.100 -17.523 4.677
465 H HIS 69 H HIS 69 -9.516 -16.172 8.657
466 HA HIS 69 HA HIS 69 -9.048 -15.085 11.364
467 1HB HIS 69 1HB HIS 69 -11.269 -13.886 10.999
468 2HB HIS 69 2HB HIS 69 -9.970 -13.265 10.001
469 HD1 HIS 69 1HD HIS 69 -10.043 -14.028 7.297
470 HD2 HIS 69 2HD HIS 69 -13.486 -14.560 9.692
471 HE1 HIS 69 1HE HIS 69 -11.990 -14.512 5.728
472 HE2 HIS 69 2HE HIS 69 -14.070 -14.747 7.156
473 H HIS 70 H HIS 70 -12.246 -15.791 11.235
474 HA HIS 70 HA HIS 70 -11.797 -18.643 11.929
475 1HB HIS 70 1HB HIS 70 -14.362 -18.634 12.032
476 2HB HIS 70 2HB HIS 70 -13.487 -17.823 13.319
477 HD1 HIS 70 1HD HIS 70 -13.970 -15.214 13.637
478 HD2 HIS 70 2HD HIS 70 -15.447 -16.924 10.062
479 HE1 HIS 70 1HE HIS 70 -15.219 -13.348 12.342
480 HE2 HIS 70 2HE HIS 70 -16.046 -14.353 10.224
Start of MODEL 17
1 1H GLU 1 1H GLU 1 -17.521 -10.126 -12.429
2 2H GLU 1 2H GLU 1 -17.703 -8.493 -12.211
3 3H GLU 1 H GLU 1 -19.049 -9.450 -12.387
4 HA GLU 1 HA GLU 1 -18.697 -8.792 -10.166
5 1HB GLU 1 1HB GLU 1 -18.293 -11.267 -9.214
6 2HB GLU 1 2HB GLU 1 -19.805 -10.627 -9.805
7 1HG GLU 1 1HG GLU 1 -19.506 -12.861 -10.629
8 2HG GLU 1 2HG GLU 1 -19.521 -11.721 -11.971
9 H ALA 2 H ALA 2 -17.440 -8.709 -8.397
10 HA ALA 2 HA ALA 2 -14.828 -9.492 -7.809
11 1HB ALA 2 1HB ALA 2 -13.991 -8.200 -9.733
12 2HB ALA 2 2HB ALA 2 -14.914 -6.774 -9.200
13 3HB ALA 2 3HB ALA 2 -13.556 -7.376 -8.232
14 H GLU 3 H GLU 3 -17.563 -7.509 -7.534
15 HA GLU 3 HA GLU 3 -16.913 -5.604 -5.563
16 1HB GLU 3 1HB GLU 3 -19.735 -6.629 -6.155
17 2HB GLU 3 2HB GLU 3 -19.181 -5.020 -5.773
18 1HG GLU 3 1HG GLU 3 -19.861 -4.951 -8.031
19 2HG GLU 3 2HG GLU 3 -18.097 -4.931 -8.083
20 H ALA 4 H ALA 4 -19.103 -8.427 -5.449
21 HA ALA 4 HA ALA 4 -18.853 -8.646 -2.521
22 1HB ALA 4 1HB ALA 4 -20.613 -10.359 -2.771
23 2HB ALA 4 2HB ALA 4 -21.069 -8.842 -3.569
24 3HB ALA 4 3HB ALA 4 -20.510 -10.227 -4.539
25 H GLU 5 H GLU 5 -16.388 -8.994 -3.292
26 HA GLU 5 HA GLU 5 -15.898 -11.889 -2.951
27 1HB GLU 5 1HB GLU 5 -14.589 -10.104 -5.048
28 2HB GLU 5 2HB GLU 5 -13.927 -11.639 -4.489
29 1HG GLU 5 1HG GLU 5 -15.957 -12.819 -5.219
30 2HG GLU 5 2HG GLU 5 -16.687 -11.287 -5.733
31 H PHE 6 H PHE 6 -13.546 -9.227 -3.481
32 HA PHE 6 HA PHE 6 -13.195 -8.695 -0.682
33 1HB PHE 6 1HB PHE 6 -12.016 -10.914 -0.896
34 2HB PHE 6 2HB PHE 6 -11.019 -10.247 -2.179
35 HD1 PHE 6 1HD PHE 6 -11.630 -10.371 1.445
36 HD2 PHE 6 2HD PHE 6 -9.312 -8.462 -1.653
37 HE1 PHE 6 1HE PHE 6 -10.071 -9.476 3.154
38 HE2 PHE 6 2HE PHE 6 -7.786 -7.530 0.081
39 HZ PHE 6 HZ PHE 6 -8.158 -8.051 2.476
40 H THR 7 H THR 7 -12.118 -6.689 -0.527
41 HA THR 7 HA THR 7 -10.277 -5.781 -2.514
42 HB THR 7 HB THR 7 -12.981 -4.399 -2.206
43 HG1 THR 7 1HG THR 7 -12.331 -6.077 -3.912
44 1HG2 THR 7 1HG2 THR 7 -11.993 -2.560 -3.579
45 2HG2 THR 7 2HG2 THR 7 -11.181 -2.679 -2.013
46 3HG2 THR 7 3HG2 THR 7 -10.404 -3.335 -3.462
47 H ASP 8 H ASP 8 -8.826 -4.548 -1.407
48 HA ASP 8 HA ASP 8 -9.418 -3.566 1.307
49 1HB ASP 8 1HB ASP 8 -7.966 -5.496 1.452
50 2HB ASP 8 2HB ASP 8 -6.968 -4.933 0.111
51 H ALA 9 H ALA 9 -7.797 -1.721 1.708
52 HA ALA 9 HA ALA 9 -8.030 0.332 -0.278
53 1HB ALA 9 1HB ALA 9 -7.624 0.869 2.099
54 2HB ALA 9 2HB ALA 9 -6.021 0.092 2.004
55 3HB ALA 9 3HB ALA 9 -6.356 1.554 1.060
56 H CYS 10 H CYS 10 -5.512 -2.183 0.290
57 HA CYS 10 HA CYS 10 -3.519 -0.868 -1.257
58 1HB CYS 10 1HB CYS 10 -2.214 -2.689 -0.815
59 2HB CYS 10 2HB CYS 10 -3.396 -2.819 0.450
60 H VAL 11 H VAL 11 -6.391 -2.498 -2.282
61 HA VAL 11 HA VAL 11 -5.447 -3.059 -5.008
62 HB VAL 11 HB VAL 11 -8.260 -3.140 -3.859
63 1HG1 VAL 11 1HG1 VAL 11 -8.768 -4.730 -5.637
64 2HG1 VAL 11 2HG1 VAL 11 -8.156 -3.238 -6.349
65 3HG1 VAL 11 3HG1 VAL 11 -7.094 -4.660 -6.231
66 1HG2 VAL 11 1HG2 VAL 11 -7.898 -5.615 -3.594
67 2HG2 VAL 11 2HG2 VAL 11 -6.174 -5.349 -3.949
68 3HG2 VAL 11 3HG2 VAL 11 -6.910 -4.657 -2.490
69 H LEU 12 H LEU 12 -6.905 -0.456 -3.233
70 HA LEU 12 HA LEU 12 -8.142 0.972 -5.436
71 1HB LEU 12 1HB LEU 12 -9.270 1.341 -3.618
72 2HB LEU 12 2HB LEU 12 -7.955 1.188 -2.473
73 HG LEU 12 HG LEU 12 -7.405 3.636 -3.506
74 1HD1 LEU 12 1HD1 LEU 12 -10.493 3.479 -3.409
75 2HD1 LEU 12 2HD1 LEU 12 -9.523 4.853 -3.948
76 3HD1 LEU 12 3HD1 LEU 12 -9.673 3.393 -4.946
77 1HD2 LEU 12 1HD2 LEU 12 -7.635 3.222 -1.176
78 2HD2 LEU 12 2HD2 LEU 12 -8.828 4.494 -1.565
79 3HD2 LEU 12 3HD2 LEU 12 -9.359 2.831 -1.321
80 HA PRO 13 HA PRO 13 -4.257 2.612 -6.610
81 1HB PRO 13 1HB PRO 13 -5.015 4.870 -8.062
82 2HB PRO 13 2HB PRO 13 -5.045 3.190 -8.648
83 1HG PRO 13 1HG PRO 13 -7.306 4.900 -7.639
84 2HG PRO 13 2HG PRO 13 -7.342 3.651 -8.921
85 1HD PRO 13 1HD PRO 13 -8.192 3.333 -6.273
86 2HD PRO 13 2HD PRO 13 -7.783 1.967 -7.315
87 H ALA 14 H ALA 14 -2.971 4.582 -6.580
88 HA ALA 14 HA ALA 14 -3.100 5.926 -3.963
89 1HB ALA 14 1HB ALA 14 -0.937 6.846 -4.681
90 2HB ALA 14 2HB ALA 14 -0.943 5.092 -4.879
91 3HB ALA 14 3HB ALA 14 -1.134 6.157 -6.299
92 H VAL 15 H VAL 15 -3.056 8.315 -3.828
93 HA VAL 15 HA VAL 15 -3.808 9.865 -6.193
94 HB VAL 15 HB VAL 15 -5.444 9.627 -3.653
95 1HG1 VAL 15 1HG1 VAL 15 -6.854 11.514 -4.409
96 2HG1 VAL 15 2HG1 VAL 15 -5.250 11.999 -3.902
97 3HG1 VAL 15 3HG1 VAL 15 -5.637 11.907 -5.645
98 1HG2 VAL 15 1HG2 VAL 15 -6.127 8.135 -5.513
99 2HG2 VAL 15 2HG2 VAL 15 -7.353 9.373 -5.244
100 3HG2 VAL 15 3HG2 VAL 15 -6.225 9.525 -6.609
101 H GLN 16 H GLN 16 -3.190 11.973 -5.928
102 HA GLN 16 HA GLN 16 -0.986 12.519 -4.071
103 1HB GLN 16 1HB GLN 16 -2.211 14.017 -6.408
104 2HB GLN 16 2HB GLN 16 -1.154 14.852 -5.257
105 1HG GLN 16 1HG GLN 16 0.656 13.402 -5.660
106 2HG GLN 16 2HG GLN 16 -0.331 12.235 -6.561
107 1HE2 GLN 16 1HE2 GLN 16 1.668 15.126 -6.806
108 2HE2 GLN 16 2HE2 GLN 16 1.542 15.166 -8.549
109 H GLY 17 H GLY 17 -3.944 14.419 -4.850
110 1HA GLY 17 1HA GLY 17 -5.545 14.639 -2.858
111 2HA GLY 17 2HA GLY 17 -4.107 15.280 -2.033
112 HA PRO 18 HA PRO 18 -6.142 18.623 -4.626
113 1HB PRO 18 1HB PRO 18 -7.101 20.291 -2.663
114 2HB PRO 18 2HB PRO 18 -8.011 18.892 -3.307
115 1HG PRO 18 1HG PRO 18 -6.376 19.043 -0.767
116 2HG PRO 18 2HG PRO 18 -8.004 18.338 -1.005
117 1HD PRO 18 1HD PRO 18 -5.720 16.811 -0.991
118 2HD PRO 18 2HD PRO 18 -7.131 16.397 -1.994
119 H CYS 19 H CYS 19 -3.782 18.514 -2.065
120 HA CYS 19 HA CYS 19 -2.905 21.240 -2.232
121 1HB CYS 19 1HB CYS 19 -1.643 18.742 -1.038
122 2HB CYS 19 2HB CYS 19 -0.988 20.353 -0.823
123 H ARG 20 H ARG 20 -0.326 21.412 -2.449
124 HA ARG 20 HA ARG 20 0.598 20.134 -4.948
125 1HB ARG 20 1HB ARG 20 0.391 23.100 -4.458
126 2HB ARG 20 2HB ARG 20 1.656 22.436 -5.461
127 1HG ARG 20 1HG ARG 20 0.304 22.266 -7.204
128 2HG ARG 20 2HG ARG 20 -0.783 21.192 -6.371
129 1HD ARG 20 1HD ARG 20 -1.003 24.178 -5.907
130 2HD ARG 20 2HD ARG 20 -1.565 23.479 -7.432
131 HE ARG 20 HE ARG 20 -2.719 21.920 -5.410
132 1HH1 ARG 20 2HH2 ARG 20 -2.898 25.228 -6.671
133 2HH1 ARG 20 1HH2 ARG 20 -4.574 25.448 -6.309
134 1HH2 ARG 20 2HH1 ARG 20 -4.927 22.221 -4.868
135 2HH2 ARG 20 1HH1 ARG 20 -5.781 23.672 -5.245
136 H GLY 21 H GLY 21 1.153 20.200 -1.943
137 1HA GLY 21 1HA GLY 21 4.112 20.645 -1.913
138 2HA GLY 21 2HA GLY 21 3.104 20.125 -0.518
139 H TRP 22 H TRP 22 5.429 18.437 -1.564
140 HA TRP 22 HA TRP 22 3.924 16.180 -2.666
141 1HB TRP 22 1HB TRP 22 6.577 17.274 -3.657
142 2HB TRP 22 2HB TRP 22 5.866 15.772 -4.174
143 HD1 TRP 22 HD TRP 22 6.593 18.633 -5.744
144 HE1 TRP 22 1HE TRP 22 4.874 19.634 -7.341
145 HE3 TRP 22 3HE TRP 22 2.405 16.106 -4.165
146 HZ2 TRP 22 2HZ TRP 22 2.043 19.420 -7.851
147 HZ3 TRP 22 3HZ TRP 22 0.207 16.628 -5.150
148 HH2 TRP 22 HH TRP 22 0.003 18.252 -7.003
149 H GLU 23 H GLU 23 4.198 14.625 -1.472
150 HA GLU 23 HA GLU 23 6.436 14.272 0.468
151 1HB GLU 23 1HB GLU 23 4.386 15.086 1.481
152 2HB GLU 23 2HB GLU 23 3.406 13.904 0.624
153 1HG GLU 23 1HG GLU 23 3.527 13.224 2.856
154 2HG GLU 23 2HG GLU 23 4.439 12.083 1.886
155 HA PRO 24 HA PRO 24 6.562 10.381 -2.133
156 1HB PRO 24 1HB PRO 24 8.792 9.265 -1.033
157 2HB PRO 24 2HB PRO 24 8.857 10.606 -2.218
158 1HG PRO 24 1HG PRO 24 9.045 10.783 0.805
159 2HG PRO 24 2HG PRO 24 10.102 11.558 -0.418
160 1HD PRO 24 1HD PRO 24 8.059 12.888 0.770
161 2HD PRO 24 2HD PRO 24 8.451 13.170 -0.948
162 H ARG 25 H ARG 25 5.283 8.780 -1.751
163 HA ARG 25 HA ARG 25 5.361 7.348 0.843
164 1HB ARG 25 1HB ARG 25 2.864 8.403 -0.557
165 2HB ARG 25 2HB ARG 25 2.793 7.106 0.634
166 1HG ARG 25 1HG ARG 25 3.869 9.905 1.199
167 2HG ARG 25 2HG ARG 25 2.267 9.305 1.600
168 1HD ARG 25 1HD ARG 25 3.221 7.542 3.005
169 2HD ARG 25 2HD ARG 25 4.859 8.096 2.672
170 HE ARG 25 HE ARG 25 2.824 9.378 4.342
171 1HH1 ARG 25 2HH2 ARG 25 6.027 9.778 2.740
172 2HH1 ARG 25 1HH2 ARG 25 6.409 11.191 3.603
173 1HH2 ARG 25 2HH1 ARG 25 3.479 11.268 5.600
174 2HH2 ARG 25 1HH1 ARG 25 4.937 12.065 5.154
175 H TRP 26 H TRP 26 3.851 5.268 0.456
176 HA TRP 26 HA TRP 26 4.743 4.048 -2.120
177 1HB TRP 26 1HB TRP 26 4.955 3.093 0.753
178 2HB TRP 26 2HB TRP 26 4.932 1.961 -0.595
179 HD1 TRP 26 HD TRP 26 7.062 4.895 0.760
180 HE1 TRP 26 1HE TRP 26 9.449 4.659 -0.114
181 HE3 TRP 26 3HE TRP 26 6.400 0.779 -2.166
182 HZ2 TRP 26 2HZ TRP 26 10.894 2.892 -1.962
183 HZ3 TRP 26 3HZ TRP 26 8.178 0.106 -3.781
184 HH2 TRP 26 HH TRP 26 10.442 0.965 -3.526
185 H ALA 27 H ALA 27 3.240 2.580 -3.075
186 HA ALA 27 HA ALA 27 0.748 2.046 -1.611
187 1HB ALA 27 1HB ALA 27 -0.605 2.631 -3.644
188 2HB ALA 27 2HB ALA 27 0.098 4.032 -2.839
189 3HB ALA 27 3HB ALA 27 0.824 3.394 -4.347
190 H TYR 28 H TYR 28 -0.232 0.166 -2.261
191 HA TYR 28 HA TYR 28 1.422 -1.717 -3.799
192 1HB TYR 28 1HB TYR 28 0.094 -2.395 -1.749
193 2HB TYR 28 2HB TYR 28 -1.359 -2.027 -2.638
194 HD1 TYR 28 1HD TYR 28 -2.178 -3.527 -4.457
195 HD2 TYR 28 2HD TYR 28 1.346 -4.514 -2.171
196 HE1 TYR 28 1HE TYR 28 -2.401 -5.882 -5.143
197 HE2 TYR 28 2HE TYR 28 1.172 -6.846 -2.911
198 HH TYR 28 HH TYR 28 -0.196 -8.461 -3.955
199 H SER 29 H SER 29 0.935 -2.465 -5.833
200 HA SER 29 HA SER 29 -1.375 -1.247 -7.244
201 1HB SER 29 1HB SER 29 1.507 -1.571 -8.033
202 2HB SER 29 2HB SER 29 0.297 -1.400 -9.276
203 HG SER 29 HG SER 29 0.053 0.231 -7.042
204 HA PRO 30 HA PRO 30 -2.037 -5.734 -7.319
205 1HB PRO 30 1HB PRO 30 -4.583 -5.710 -8.361
206 2HB PRO 30 2HB PRO 30 -4.228 -5.343 -6.641
207 1HG PRO 30 1HG PRO 30 -4.700 -3.384 -8.889
208 2HG PRO 30 2HG PRO 30 -5.388 -3.393 -7.237
209 1HD PRO 30 1HD PRO 30 -3.250 -1.863 -7.896
210 2HD PRO 30 2HD PRO 30 -3.388 -2.616 -6.281
211 H LEU 31 H LEU 31 -2.649 -3.410 -9.924
212 HA LEU 31 HA LEU 31 -2.462 -5.188 -12.143
213 1HB LEU 31 1HB LEU 31 -2.151 -2.220 -11.786
214 2HB LEU 31 2HB LEU 31 -1.816 -2.977 -13.339
215 HG LEU 31 HG LEU 31 -4.438 -3.457 -11.872
216 1HD1 LEU 31 1HD1 LEU 31 -5.408 -1.742 -13.330
217 2HD1 LEU 31 2HD1 LEU 31 -4.166 -1.061 -12.261
218 3HD1 LEU 31 3HD1 LEU 31 -3.787 -1.369 -13.975
219 1HD2 LEU 31 1HD2 LEU 31 -3.961 -5.104 -13.665
220 2HD2 LEU 31 2HD2 LEU 31 -5.268 -4.021 -14.155
221 3HD2 LEU 31 3HD2 LEU 31 -3.632 -3.785 -14.803
222 H LEU 32 H LEU 32 0.010 -4.073 -9.968
223 HA LEU 32 HA LEU 32 2.143 -4.996 -11.839
224 1HB LEU 32 1HB LEU 32 2.026 -3.010 -9.573
225 2HB LEU 32 2HB LEU 32 3.556 -3.693 -10.033
226 HG LEU 32 HG LEU 32 1.768 -2.257 -12.035
227 1HD1 LEU 32 1HD1 LEU 32 3.311 -0.325 -11.764
228 2HD1 LEU 32 2HD1 LEU 32 2.399 -0.666 -10.291
229 3HD1 LEU 32 3HD1 LEU 32 4.108 -1.161 -10.413
230 1HD2 LEU 32 1HD2 LEU 32 3.875 -2.070 -13.352
231 2HD2 LEU 32 2HD2 LEU 32 4.726 -3.027 -12.118
232 3HD2 LEU 32 3HD2 LEU 32 3.426 -3.751 -13.084
233 H GLN 33 H GLN 33 0.188 -5.895 -9.292
234 HA GLN 33 HA GLN 33 0.183 -7.188 -7.540
235 1HB GLN 33 1HB GLN 33 0.566 -8.731 -9.566
236 2HB GLN 33 2HB GLN 33 2.234 -8.884 -9.012
237 1HG GLN 33 1HG GLN 33 0.499 -9.278 -6.743
238 2HG GLN 33 2HG GLN 33 -0.183 -10.184 -8.087
239 1HE2 GLN 33 1HE2 GLN 33 3.030 -9.654 -6.507
240 2HE2 GLN 33 2HE2 GLN 33 3.518 -11.348 -6.641
241 H GLN 34 H GLN 34 1.903 -4.929 -7.210
242 HA GLN 34 HA GLN 34 3.751 -5.904 -5.152
243 1HB GLN 34 1HB GLN 34 4.829 -6.216 -7.578
244 2HB GLN 34 2HB GLN 34 4.992 -4.450 -7.492
245 1HG GLN 34 1HG GLN 34 6.422 -4.599 -5.569
246 2HG GLN 34 2HG GLN 34 6.193 -6.356 -5.483
247 1HE2 GLN 34 1HE2 GLN 34 6.540 -7.158 -8.149
248 2HE2 GLN 34 2HE2 GLN 34 8.182 -6.757 -8.628
249 H CYS 35 H CYS 35 4.985 -4.007 -4.267
250 HA CYS 35 HA CYS 35 3.328 -1.522 -4.403
251 1HB CYS 35 1HB CYS 35 5.395 -2.445 -2.422
252 2HB CYS 35 2HB CYS 35 4.728 -0.823 -2.426
253 H HIS 36 H HIS 36 4.123 0.432 -4.671
254 HA HIS 36 HA HIS 36 6.953 0.770 -5.510
255 1HB HIS 36 1HB HIS 36 6.462 1.872 -7.598
256 2HB HIS 36 2HB HIS 36 5.754 0.271 -7.599
257 HD1 HIS 36 1HD HIS 36 4.646 3.976 -7.155
258 HD2 HIS 36 2HD HIS 36 3.075 0.126 -8.082
259 HE1 HIS 36 1HE HIS 36 2.198 4.297 -7.841
260 HE2 HIS 36 2HE HIS 36 1.294 1.890 -8.371
261 HA PRO 37 HA PRO 37 6.416 4.640 -3.351
262 1HB PRO 37 1HB PRO 37 8.261 6.225 -4.849
263 2HB PRO 37 2HB PRO 37 8.568 5.344 -3.333
264 1HG PRO 37 1HG PRO 37 9.603 4.714 -5.949
265 2HG PRO 37 2HG PRO 37 9.803 3.787 -4.438
266 1HD PRO 37 1HD PRO 37 7.981 3.285 -6.697
267 2HD PRO 37 2HD PRO 37 8.561 2.174 -5.432
268 H PHE 38 H PHE 38 5.642 7.031 -3.793
269 HA PHE 38 HA PHE 38 4.983 7.690 -6.498
270 1HB PHE 38 1HB PHE 38 2.642 7.642 -6.430
271 2HB PHE 38 2HB PHE 38 3.113 6.056 -5.878
272 HD1 PHE 38 1HD PHE 38 3.031 5.590 -3.280
273 HD2 PHE 38 2HD PHE 38 1.187 8.998 -5.176
274 HE1 PHE 38 1HE PHE 38 1.457 5.860 -1.362
275 HE2 PHE 38 2HE PHE 38 -0.279 9.292 -3.231
276 HZ PHE 38 HZ PHE 38 -0.184 7.686 -1.330
277 H VAL 39 H VAL 39 3.767 9.864 -6.458
278 HA VAL 39 HA VAL 39 4.873 11.523 -4.282
279 HB VAL 39 HB VAL 39 3.491 12.345 -6.903
280 1HG1 VAL 39 1HG1 VAL 39 3.244 14.030 -5.155
281 2HG1 VAL 39 2HG1 VAL 39 4.962 13.900 -4.746
282 3HG1 VAL 39 3HG1 VAL 39 4.460 14.581 -6.315
283 1HG2 VAL 39 1HG2 VAL 39 5.683 11.292 -7.384
284 2HG2 VAL 39 2HG2 VAL 39 5.776 13.040 -7.608
285 3HG2 VAL 39 3HG2 VAL 39 6.455 12.303 -6.142
286 H TYR 40 H TYR 40 3.553 11.844 -2.565
287 HA TYR 40 HA TYR 40 0.606 11.751 -2.906
288 1HB TYR 40 1HB TYR 40 1.229 10.077 -1.367
289 2HB TYR 40 2HB TYR 40 2.498 11.026 -0.669
290 HD1 TYR 40 1HD TYR 40 2.187 11.723 1.457
291 HD2 TYR 40 2HD TYR 40 -1.254 11.412 -1.138
292 HE1 TYR 40 1HE TYR 40 0.757 12.468 3.294
293 HE2 TYR 40 2HE TYR 40 -2.686 12.268 0.681
294 HH TYR 40 HH TYR 40 -2.624 13.339 2.761
295 H GLY 41 H GLY 41 -0.457 13.597 -1.554
296 1HA GLY 41 1HA GLY 41 1.155 16.029 -2.008
297 2HA GLY 41 2HA GLY 41 -0.572 15.920 -2.036
298 H GLY 42 H GLY 42 0.478 14.204 0.675
299 1HA GLY 42 1HA GLY 42 0.876 14.630 2.857
300 2HA GLY 42 2HA GLY 42 1.242 16.307 2.478
301 H CYS 43 H CYS 43 -1.649 16.323 1.252
302 HA CYS 43 HA CYS 43 -3.237 16.471 3.741
303 1HB CYS 43 1HB CYS 43 -4.436 18.269 2.896
304 2HB CYS 43 2HB CYS 43 -2.749 18.633 2.641
305 H GLU 44 H GLU 44 -5.779 16.459 2.597
306 HA GLU 44 HA GLU 44 -6.604 13.946 2.747
307 1HB GLU 44 1HB GLU 44 -7.735 15.781 0.625
308 2HB GLU 44 2HB GLU 44 -8.522 14.428 1.430
309 1HG GLU 44 1HG GLU 44 -9.392 16.155 2.619
310 2HG GLU 44 2HG GLU 44 -8.032 15.751 3.647
311 H GLY 45 H GLY 45 -6.634 12.001 1.585
312 1HA GLY 45 1HA GLY 45 -6.090 11.730 -1.210
313 2HA GLY 45 2HA GLY 45 -4.687 11.341 -0.212
314 H ASN 46 H ASN 46 -5.221 9.059 -1.153
315 HA ASN 46 HA ASN 46 -7.608 7.837 0.128
316 1HB ASN 46 1HB ASN 46 -5.649 6.407 -1.685
317 2HB ASN 46 2HB ASN 46 -7.204 5.867 -1.167
318 1HD2 ASN 46 1HD2 ASN 46 -7.034 5.589 -3.805
319 2HD2 ASN 46 2HD2 ASN 46 -7.932 6.908 -4.541
320 H GLY 47 H GLY 47 -7.084 5.480 0.684
321 1HA GLY 47 1HA GLY 47 -5.415 5.623 3.126
322 2HA GLY 47 2HA GLY 47 -6.602 4.370 2.743
323 H ASN 48 H ASN 48 -5.040 4.414 -0.071
324 HA ASN 48 HA ASN 48 -3.141 2.268 0.661
325 1HB ASN 48 1HB ASN 48 -4.600 2.011 -1.263
326 2HB ASN 48 2HB ASN 48 -3.978 3.396 -2.068
327 1HD2 ASN 48 1HD2 ASN 48 -3.722 1.309 -3.556
328 2HD2 ASN 48 2HD2 ASN 48 -2.208 0.441 -3.541
329 H ASN 49 H ASN 49 -1.989 3.747 2.025
330 HA ASN 49 HA ASN 49 0.022 5.414 0.631
331 1HB ASN 49 1HB ASN 49 -1.992 6.807 1.262
332 2HB ASN 49 2HB ASN 49 -1.769 6.327 2.943
333 1HD2 ASN 49 1HD2 ASN 49 -1.591 8.978 1.394
334 2HD2 ASN 49 2HD2 ASN 49 -0.080 9.674 1.911
335 H PHE 50 H PHE 50 1.792 4.363 1.304
336 HA PHE 50 HA PHE 50 2.019 3.404 4.100
337 1HB PHE 50 1HB PHE 50 3.088 2.258 1.501
338 2HB PHE 50 2HB PHE 50 3.595 1.667 3.015
339 HD1 PHE 50 1HD PHE 50 1.762 0.899 4.740
340 HD2 PHE 50 2HD PHE 50 0.919 1.543 0.555
341 HE1 PHE 50 1HE PHE 50 -0.400 -0.257 4.990
342 HE2 PHE 50 2HE PHE 50 -1.210 0.291 0.812
343 HZ PHE 50 HZ PHE 50 -1.892 -0.569 3.029
344 H HIS 51 H HIS 51 4.299 3.177 4.805
345 HA HIS 51 HA HIS 51 5.465 5.876 4.485
346 1HB HIS 51 1HB HIS 51 6.348 3.687 6.385
347 2HB HIS 51 2HB HIS 51 6.580 5.406 6.529
348 HD1 HIS 51 1HD HIS 51 4.153 6.782 7.265
349 HD2 HIS 51 2HD HIS 51 4.225 2.576 7.220
350 HE1 HIS 51 1HE HIS 51 1.988 6.001 8.461
351 HE2 HIS 51 2HE HIS 51 2.055 3.415 8.451
352 H SER 52 H SER 52 6.004 2.596 3.528
353 HA SER 52 HA SER 52 8.596 3.171 2.313
354 1HB SER 52 1HB SER 52 9.597 1.245 3.784
355 2HB SER 52 2HB SER 52 9.430 2.840 4.517
356 HG SER 52 HG SER 52 8.620 1.093 5.865
357 H ARG 53 H ARG 53 9.457 1.042 1.467
358 HA ARG 53 HA ARG 53 7.539 -0.397 -0.134
359 1HB ARG 53 1HB ARG 53 9.920 -0.130 -0.733
360 2HB ARG 53 2HB ARG 53 10.392 -1.049 0.697
361 1HG ARG 53 1HG ARG 53 10.475 -2.420 -1.236
362 2HG ARG 53 2HG ARG 53 9.233 -3.044 -0.162
363 1HD ARG 53 1HD ARG 53 7.540 -1.885 -1.691
364 2HD ARG 53 2HD ARG 53 8.856 -1.483 -2.751
365 HE ARG 53 HE ARG 53 8.229 -4.297 -1.931
366 1HH1 ARG 53 2HH2 ARG 53 8.273 -2.304 -4.817
367 2HH1 ARG 53 1HH2 ARG 53 8.900 -3.597 -5.784
368 1HH2 ARG 53 2HH1 ARG 53 8.466 -5.869 -3.236
369 2HH2 ARG 53 1HH1 ARG 53 8.980 -5.709 -4.911
370 H GLU 54 H GLU 54 9.300 -1.093 2.811
371 HA GLU 54 HA GLU 54 8.477 -3.567 3.656
372 1HB GLU 54 1HB GLU 54 10.201 -2.385 4.680
373 2HB GLU 54 2HB GLU 54 9.393 -0.885 4.699
374 1HG GLU 54 1HG GLU 54 8.250 -2.843 6.628
375 2HG GLU 54 2HG GLU 54 9.966 -2.463 6.887
376 H SER 55 H SER 55 7.047 -0.692 5.134
377 HA SER 55 HA SER 55 4.905 -1.999 6.112
378 1HB SER 55 1HB SER 55 3.627 0.257 6.106
379 2HB SER 55 2HB SER 55 5.120 0.096 7.018
380 HG SER 55 HG SER 55 6.234 1.139 5.416
381 H CYS 56 H CYS 56 5.065 -0.942 2.841
382 HA CYS 56 HA CYS 56 2.231 -1.284 2.289
383 1HB CYS 56 1HB CYS 56 4.154 0.120 1.054
384 2HB CYS 56 2HB CYS 56 4.669 -1.391 0.407
385 H GLU 57 H GLU 57 5.146 -3.237 1.715
386 HA GLU 57 HA GLU 57 3.419 -5.331 0.579
387 1HB GLU 57 1HB GLU 57 6.409 -5.309 1.045
388 2HB GLU 57 2HB GLU 57 5.468 -6.711 0.458
389 1HG GLU 57 1HG GLU 57 4.376 -5.072 -1.242
390 2HG GLU 57 2HG GLU 57 5.618 -3.914 -0.768
391 H ASP 58 H ASP 58 4.730 -4.540 3.763
392 HA ASP 58 HA ASP 58 3.874 -6.908 5.087
393 1HB ASP 58 1HB ASP 58 5.306 -5.193 6.114
394 2HB ASP 58 2HB ASP 58 3.995 -4.017 6.018
395 H ALA 59 H ALA 59 2.011 -3.877 4.059
396 HA ALA 59 HA ALA 59 -0.384 -4.851 5.301
397 1HB ALA 59 1HB ALA 59 -0.026 -2.902 2.990
398 2HB ALA 59 2HB ALA 59 -1.500 -3.137 3.954
399 3HB ALA 59 3HB ALA 59 -0.027 -2.514 4.729
400 H CYS 60 H CYS 60 0.932 -5.319 1.967
401 HA CYS 60 HA CYS 60 -1.110 -7.473 1.670
402 1HB CYS 60 1HB CYS 60 -0.566 -5.206 -0.217
403 2HB CYS 60 2HB CYS 60 -1.089 -6.763 -0.835
404 HA PRO 61 HA PRO 61 3.043 -9.138 0.726
405 1HB PRO 61 1HB PRO 61 3.383 -10.916 2.773
406 2HB PRO 61 2HB PRO 61 3.485 -9.174 3.078
407 1HG PRO 61 1HG PRO 61 1.084 -10.983 3.481
408 2HG PRO 61 2HG PRO 61 1.779 -9.788 4.625
409 1HD PRO 61 1HD PRO 61 -0.359 -9.240 2.966
410 2HD PRO 61 2HD PRO 61 0.801 -7.999 3.486
411 H VAL 62 H VAL 62 0.866 -9.779 -0.782
412 HA VAL 62 HA VAL 62 1.053 -12.723 -1.043
413 HB VAL 62 HB VAL 62 -1.715 -11.510 -0.998
414 1HG1 VAL 62 1HG1 VAL 62 -1.701 -13.740 -1.888
415 2HG1 VAL 62 2HG1 VAL 62 -0.692 -14.333 -0.537
416 3HG1 VAL 62 3HG1 VAL 62 -2.374 -13.838 -0.280
417 1HG2 VAL 62 1HG2 VAL 62 -2.100 -12.258 1.338
418 2HG2 VAL 62 2HG2 VAL 62 -0.367 -12.607 1.505
419 3HG2 VAL 62 3HG2 VAL 62 -0.942 -10.943 1.256
420 H VAL 63 H VAL 63 -0.184 -13.457 -2.901
421 HA VAL 63 HA VAL 63 0.515 -12.112 -5.365
422 HB VAL 63 HB VAL 63 -1.324 -14.433 -4.727
423 1HG1 VAL 63 1HG1 VAL 63 -0.197 -13.738 -7.450
424 2HG1 VAL 63 2HG1 VAL 63 -1.075 -15.217 -7.038
425 3HG1 VAL 63 3HG1 VAL 63 -1.904 -13.667 -6.951
426 1HG2 VAL 63 1HG2 VAL 63 1.010 -14.936 -4.051
427 2HG2 VAL 63 2HG2 VAL 63 0.561 -15.908 -5.452
428 3HG2 VAL 63 3HG2 VAL 63 1.579 -14.468 -5.667
429 H ASP 64 H ASP 64 -1.263 -11.398 -6.877
430 HA ASP 64 HA ASP 64 -2.836 -9.536 -5.337
431 1HB ASP 64 1HB ASP 64 -2.138 -8.781 -7.528
432 2HB ASP 64 2HB ASP 64 -3.120 -10.043 -8.311
433 H HIS 65 H HIS 65 -4.866 -9.387 -5.042
434 HA HIS 65 HA HIS 65 -6.348 -11.517 -4.025
435 1HB HIS 65 1HB HIS 65 -7.482 -8.799 -4.779
436 2HB HIS 65 2HB HIS 65 -7.918 -9.813 -3.413
437 HD1 HIS 65 1HD HIS 65 -4.930 -7.579 -4.628
438 HD2 HIS 65 2HD HIS 65 -6.519 -9.401 -1.127
439 HE1 HIS 65 1HE HIS 65 -3.495 -6.796 -2.660
440 HE2 HIS 65 2HE HIS 65 -4.508 -7.795 -0.529
441 H HIS 66 H HIS 66 -6.068 -10.702 -7.230
442 HA HIS 66 HA HIS 66 -8.446 -10.642 -8.484
443 1HB HIS 66 1HB HIS 66 -5.739 -10.697 -9.173
444 2HB HIS 66 2HB HIS 66 -6.323 -12.140 -9.943
445 HD1 HIS 66 1HD HIS 66 -8.774 -11.594 -11.356
446 HD2 HIS 66 2HD HIS 66 -6.086 -8.481 -10.432
447 HE1 HIS 66 1HE HIS 66 -9.366 -9.603 -12.958
448 HE2 HIS 66 2HE HIS 66 -7.692 -7.714 -12.361
449 H HIS 67 H HIS 67 -8.163 -13.260 -6.662
450 HA HIS 67 HA HIS 67 -8.834 -15.418 -8.549
451 1HB HIS 67 1HB HIS 67 -7.679 -15.888 -6.378
452 2HB HIS 67 2HB HIS 67 -9.064 -15.234 -5.508
453 HD1 HIS 67 1HD HIS 67 -10.758 -17.063 -4.747
454 HD2 HIS 67 2HD HIS 67 -8.647 -18.023 -8.294
455 HE1 HIS 67 1HE HIS 67 -11.667 -19.300 -5.585
456 HE2 HIS 67 2HE HIS 67 -10.509 -19.822 -7.751
457 H HIS 68 H HIS 68 -11.204 -16.543 -7.861
458 HA HIS 68 HA HIS 68 -13.186 -14.392 -7.667
459 1HB HIS 68 1HB HIS 68 -12.488 -15.957 -10.109
460 2HB HIS 68 2HB HIS 68 -14.191 -15.993 -9.732
461 HD1 HIS 68 1HD HIS 68 -12.934 -12.685 -8.612
462 HD2 HIS 68 2HD HIS 68 -14.810 -14.528 -11.882
463 HE1 HIS 68 1HE HIS 68 -14.026 -10.909 -9.893
464 HE2 HIS 68 2HE HIS 68 -15.253 -12.027 -11.834
465 H HIS 69 H HIS 69 -15.457 -15.616 -7.995
466 HA HIS 69 HA HIS 69 -15.952 -17.062 -5.625
467 1HB HIS 69 1HB HIS 69 -17.597 -17.283 -8.180
468 2HB HIS 69 2HB HIS 69 -18.149 -17.558 -6.534
469 HD1 HIS 69 1HD HIS 69 -18.590 -15.253 -5.021
470 HD2 HIS 69 2HD HIS 69 -17.265 -14.713 -9.024
471 HE1 HIS 69 1HE HIS 69 -18.673 -12.745 -5.524
472 HE2 HIS 69 2HE HIS 69 -17.637 -12.478 -7.876
473 H HIS 70 H HIS 70 -14.208 -18.261 -8.325
474 HA HIS 70 HA HIS 70 -14.253 -20.921 -7.357
475 1HB HIS 70 1HB HIS 70 -16.019 -20.864 -9.224
476 2HB HIS 70 2HB HIS 70 -14.721 -20.367 -10.324
477 HD1 HIS 70 1HD HIS 70 -12.502 -22.358 -9.127
478 HD2 HIS 70 2HD HIS 70 -16.501 -23.295 -10.119
479 HE1 HIS 70 1HE HIS 70 -12.575 -24.936 -9.605
480 HE2 HIS 70 2HE HIS 70 -15.038 -25.474 -10.190
Start of MODEL 18
1 1H GLU 1 1H GLU 1 -16.817 -4.599 -10.054
2 2H GLU 1 2H GLU 1 -16.086 -4.551 -11.547
3 3H GLU 1 H GLU 1 -15.206 -4.519 -10.126
4 HA GLU 1 HA GLU 1 -16.889 -6.747 -10.989
5 1HB GLU 1 1HB GLU 1 -13.857 -6.421 -11.151
6 2HB GLU 1 2HB GLU 1 -14.652 -7.992 -11.129
7 1HG GLU 1 1HG GLU 1 -14.215 -7.515 -13.403
8 2HG GLU 1 2HG GLU 1 -15.958 -7.362 -13.165
9 H ALA 2 H ALA 2 -17.108 -8.344 -9.445
10 HA ALA 2 HA ALA 2 -17.670 -7.647 -7.053
11 1HB ALA 2 1HB ALA 2 -18.241 -9.822 -7.984
12 2HB ALA 2 2HB ALA 2 -16.588 -10.417 -7.674
13 3HB ALA 2 3HB ALA 2 -17.651 -9.985 -6.319
14 H GLU 3 H GLU 3 -14.367 -9.076 -7.508
15 HA GLU 3 HA GLU 3 -13.700 -8.931 -4.733
16 1HB GLU 3 1HB GLU 3 -11.982 -9.149 -7.239
17 2HB GLU 3 2HB GLU 3 -11.342 -9.239 -5.590
18 1HG GLU 3 1HG GLU 3 -12.866 -11.169 -5.120
19 2HG GLU 3 2HG GLU 3 -13.387 -11.141 -6.808
20 H ALA 4 H ALA 4 -13.774 -6.450 -7.149
21 HA ALA 4 HA ALA 4 -11.824 -4.719 -5.751
22 1HB ALA 4 1HB ALA 4 -11.707 -3.512 -7.846
23 2HB ALA 4 2HB ALA 4 -11.385 -5.237 -8.107
24 3HB ALA 4 3HB ALA 4 -12.966 -4.541 -8.549
25 H GLU 5 H GLU 5 -15.256 -5.099 -5.895
26 HA GLU 5 HA GLU 5 -15.979 -2.362 -6.300
27 1HB GLU 5 1HB GLU 5 -17.657 -4.195 -4.587
28 2HB GLU 5 2HB GLU 5 -18.181 -2.908 -5.655
29 1HG GLU 5 1HG GLU 5 -17.129 -5.629 -6.451
30 2HG GLU 5 2HG GLU 5 -18.812 -5.145 -6.425
31 H PHE 6 H PHE 6 -15.144 -4.183 -3.401
32 HA PHE 6 HA PHE 6 -14.725 -1.794 -1.802
33 1HB PHE 6 1HB PHE 6 -17.095 -2.283 -1.304
34 2HB PHE 6 2HB PHE 6 -16.711 -3.966 -0.975
35 HD1 PHE 6 1HD PHE 6 -15.643 -4.640 1.122
36 HD2 PHE 6 2HD PHE 6 -16.408 -0.486 0.273
37 HE1 PHE 6 1HE PHE 6 -15.209 -4.077 3.499
38 HE2 PHE 6 2HE PHE 6 -15.972 0.080 2.652
39 HZ PHE 6 HZ PHE 6 -15.373 -1.715 4.272
40 H THR 7 H THR 7 -12.566 -2.282 -1.356
41 HA THR 7 HA THR 7 -11.901 -5.069 -0.565
42 HB THR 7 HB THR 7 -10.301 -3.434 -2.584
43 HG1 THR 7 1HG THR 7 -12.009 -5.413 -3.568
44 1HG2 THR 7 1HG2 THR 7 -9.073 -5.396 -1.872
45 2HG2 THR 7 2HG2 THR 7 -10.523 -6.428 -2.022
46 3HG2 THR 7 3HG2 THR 7 -9.740 -5.762 -3.461
47 H ASP 8 H ASP 8 -9.390 -5.013 -0.099
48 HA ASP 8 HA ASP 8 -8.803 -3.256 2.100
49 1HB ASP 8 1HB ASP 8 -7.832 -5.548 1.716
50 2HB ASP 8 2HB ASP 8 -6.971 -4.933 0.303
51 H ALA 9 H ALA 9 -7.489 -1.368 2.026
52 HA ALA 9 HA ALA 9 -7.834 0.317 -0.222
53 1HB ALA 9 1HB ALA 9 -7.382 1.188 2.070
54 2HB ALA 9 2HB ALA 9 -5.706 0.577 1.948
55 3HB ALA 9 3HB ALA 9 -6.273 1.843 0.848
56 H CYS 10 H CYS 10 -5.281 -2.061 0.483
57 HA CYS 10 HA CYS 10 -3.263 -0.963 -1.160
58 1HB CYS 10 1HB CYS 10 -2.218 -3.062 -0.967
59 2HB CYS 10 2HB CYS 10 -3.135 -2.826 0.508
60 H VAL 11 H VAL 11 -6.232 -2.644 -2.123
61 HA VAL 11 HA VAL 11 -5.322 -3.068 -4.886
62 HB VAL 11 HB VAL 11 -8.010 -3.382 -3.487
63 1HG1 VAL 11 1HG1 VAL 11 -7.288 -4.296 -6.305
64 2HG1 VAL 11 2HG1 VAL 11 -8.783 -4.665 -5.426
65 3HG1 VAL 11 3HG1 VAL 11 -8.437 -3.005 -5.893
66 1HG2 VAL 11 1HG2 VAL 11 -5.845 -5.355 -4.362
67 2HG2 VAL 11 2HG2 VAL 11 -6.381 -5.008 -2.701
68 3HG2 VAL 11 3HG2 VAL 11 -7.456 -5.845 -3.821
69 H LEU 12 H LEU 12 -6.848 -0.517 -3.043
70 HA LEU 12 HA LEU 12 -8.159 0.793 -5.203
71 1HB LEU 12 1HB LEU 12 -9.156 1.336 -3.463
72 2HB LEU 12 2HB LEU 12 -7.786 1.281 -2.337
73 HG LEU 12 HG LEU 12 -7.249 3.631 -3.140
74 1HD1 LEU 12 1HD1 LEU 12 -9.823 3.160 -4.721
75 2HD1 LEU 12 2HD1 LEU 12 -9.490 4.765 -4.076
76 3HD1 LEU 12 3HD1 LEU 12 -8.348 4.045 -5.198
77 1HD2 LEU 12 1HD2 LEU 12 -9.166 4.585 -1.814
78 2HD2 LEU 12 2HD2 LEU 12 -9.967 3.013 -1.899
79 3HD2 LEU 12 3HD2 LEU 12 -8.417 3.165 -1.054
80 HA PRO 13 HA PRO 13 -4.593 2.635 -7.137
81 1HB PRO 13 1HB PRO 13 -6.632 4.749 -7.809
82 2HB PRO 13 2HB PRO 13 -5.434 3.974 -8.884
83 1HG PRO 13 1HG PRO 13 -8.059 3.204 -8.929
84 2HG PRO 13 2HG PRO 13 -6.735 2.006 -9.090
85 1HD PRO 13 1HD PRO 13 -8.457 2.553 -6.672
86 2HD PRO 13 2HD PRO 13 -7.739 1.044 -7.224
87 H ALA 14 H ALA 14 -3.344 4.574 -6.966
88 HA ALA 14 HA ALA 14 -3.533 5.896 -4.329
89 1HB ALA 14 1HB ALA 14 -1.329 6.825 -4.931
90 2HB ALA 14 2HB ALA 14 -1.329 5.064 -5.105
91 3HB ALA 14 3HB ALA 14 -1.441 6.107 -6.549
92 H VAL 15 H VAL 15 -3.434 8.258 -4.211
93 HA VAL 15 HA VAL 15 -4.199 9.820 -6.571
94 HB VAL 15 HB VAL 15 -5.703 9.621 -3.956
95 1HG1 VAL 15 1HG1 VAL 15 -5.910 11.957 -5.875
96 2HG1 VAL 15 2HG1 VAL 15 -7.062 11.582 -4.573
97 3HG1 VAL 15 3HG1 VAL 15 -5.409 11.985 -4.158
98 1HG2 VAL 15 1HG2 VAL 15 -7.696 9.428 -5.420
99 2HG2 VAL 15 2HG2 VAL 15 -6.675 9.661 -6.858
100 3HG2 VAL 15 3HG2 VAL 15 -6.500 8.205 -5.866
101 H GLN 16 H GLN 16 -3.469 11.925 -6.298
102 HA GLN 16 HA GLN 16 -1.054 12.175 -4.639
103 1HB GLN 16 1HB GLN 16 -2.338 14.242 -6.491
104 2HB GLN 16 2HB GLN 16 -0.794 14.388 -5.647
105 1HG GLN 16 1HG GLN 16 -0.083 12.233 -6.895
106 2HG GLN 16 2HG GLN 16 -1.528 12.448 -7.872
107 1HE2 GLN 16 1HE2 GLN 16 1.131 14.704 -6.668
108 2HE2 GLN 16 2HE2 GLN 16 1.414 15.326 -8.279
109 H GLY 17 H GLY 17 -3.950 14.281 -5.037
110 1HA GLY 17 1HA GLY 17 -5.357 14.559 -2.945
111 2HA GLY 17 2HA GLY 17 -3.832 15.046 -2.178
112 HA PRO 18 HA PRO 18 -5.823 18.532 -4.662
113 1HB PRO 18 1HB PRO 18 -6.951 20.118 -2.736
114 2HB PRO 18 2HB PRO 18 -7.760 18.670 -3.405
115 1HG PRO 18 1HG PRO 18 -6.190 18.900 -0.824
116 2HG PRO 18 2HG PRO 18 -7.790 18.142 -1.084
117 1HD PRO 18 1HD PRO 18 -5.460 16.692 -1.034
118 2HD PRO 18 2HD PRO 18 -6.833 16.231 -2.069
119 H CYS 19 H CYS 19 -3.539 18.424 -2.054
120 HA CYS 19 HA CYS 19 -2.829 21.214 -2.044
121 1HB CYS 19 1HB CYS 19 -1.445 18.762 -0.895
122 2HB CYS 19 2HB CYS 19 -0.919 20.419 -0.611
123 H ARG 20 H ARG 20 -0.234 21.538 -2.160
124 HA ARG 20 HA ARG 20 0.774 20.454 -4.724
125 1HB ARG 20 1HB ARG 20 0.513 23.379 -3.984
126 2HB ARG 20 2HB ARG 20 1.785 22.795 -5.035
127 1HG ARG 20 1HG ARG 20 0.410 22.892 -6.775
128 2HG ARG 20 2HG ARG 20 -0.543 21.582 -6.115
129 1HD ARG 20 1HD ARG 20 -0.975 24.531 -5.506
130 2HD ARG 20 2HD ARG 20 -1.803 23.646 -6.789
131 HE ARG 20 HE ARG 20 -2.651 22.106 -4.947
132 1HH1 ARG 20 2HH2 ARG 20 -2.152 25.593 -4.456
133 2HH1 ARG 20 1HH2 ARG 20 -3.468 25.775 -3.349
134 1HH2 ARG 20 2HH1 ARG 20 -4.430 22.366 -3.570
135 2HH2 ARG 20 1HH1 ARG 20 -4.796 23.859 -2.784
136 H GLY 21 H GLY 21 1.225 20.264 -1.734
137 1HA GLY 21 1HA GLY 21 4.183 20.694 -1.557
138 2HA GLY 21 2HA GLY 21 3.106 20.242 -0.189
139 H TRP 22 H TRP 22 5.384 18.424 -1.137
140 HA TRP 22 HA TRP 22 3.798 16.239 -2.233
141 1HB TRP 22 1HB TRP 22 6.475 17.202 -3.279
142 2HB TRP 22 2HB TRP 22 5.662 15.740 -3.775
143 HD1 TRP 22 HD TRP 22 6.395 18.805 -5.187
144 HE1 TRP 22 1HE TRP 22 4.633 19.853 -6.703
145 HE3 TRP 22 3HE TRP 22 2.335 15.974 -3.834
146 HZ2 TRP 22 2HZ TRP 22 1.807 19.550 -7.246
147 HZ3 TRP 22 3HZ TRP 22 0.112 16.438 -4.812
148 HH2 TRP 22 HH TRP 22 -0.167 18.212 -6.514
149 H GLU 23 H GLU 23 4.075 14.635 -1.178
150 HA GLU 23 HA GLU 23 6.217 14.126 0.827
151 1HB GLU 23 1HB GLU 23 4.167 14.892 1.853
152 2HB GLU 23 2HB GLU 23 3.178 13.844 0.842
153 1HG GLU 23 1HG GLU 23 3.132 12.918 2.951
154 2HG GLU 23 2HG GLU 23 4.105 11.859 1.947
155 HA PRO 24 HA PRO 24 6.384 10.413 -2.045
156 1HB PRO 24 1HB PRO 24 8.565 9.223 -0.960
157 2HB PRO 24 2HB PRO 24 8.691 10.667 -2.010
158 1HG PRO 24 1HG PRO 24 8.748 10.558 1.022
159 2HG PRO 24 2HG PRO 24 9.861 11.434 -0.076
160 1HD PRO 24 1HD PRO 24 7.758 12.651 1.150
161 2HD PRO 24 2HD PRO 24 8.258 13.115 -0.502
162 H ARG 25 H ARG 25 5.225 8.729 -1.856
163 HA ARG 25 HA ARG 25 5.136 7.204 0.677
164 1HB ARG 25 1HB ARG 25 2.740 8.192 -0.938
165 2HB ARG 25 2HB ARG 25 2.612 6.836 0.182
166 1HG ARG 25 1HG ARG 25 3.506 9.634 0.981
167 2HG ARG 25 2HG ARG 25 1.885 8.970 1.178
168 1HD ARG 25 1HD ARG 25 2.773 7.155 2.602
169 2HD ARG 25 2HD ARG 25 4.403 7.815 2.472
170 HE ARG 25 HE ARG 25 2.081 8.888 3.883
171 1HH1 ARG 25 2HH2 ARG 25 5.460 9.475 2.809
172 2HH1 ARG 25 1HH2 ARG 25 5.734 10.784 3.837
173 1HH2 ARG 25 2HH1 ARG 25 2.468 10.820 5.210
174 2HH2 ARG 25 1HH1 ARG 25 4.019 11.576 5.177
175 H TRP 26 H TRP 26 3.916 5.112 0.173
176 HA TRP 26 HA TRP 26 4.767 3.994 -2.434
177 1HB TRP 26 1HB TRP 26 4.980 2.863 0.389
178 2HB TRP 26 2HB TRP 26 5.018 1.844 -1.040
179 HD1 TRP 26 HD TRP 26 7.010 4.791 0.506
180 HE1 TRP 26 1HE TRP 26 9.449 4.630 -0.227
181 HE3 TRP 26 3HE TRP 26 6.689 0.594 -2.351
182 HZ2 TRP 26 2HZ TRP 26 11.036 2.973 -2.047
183 HZ3 TRP 26 3HZ TRP 26 8.535 0.025 -3.946
184 HH2 TRP 26 HH TRP 26 10.749 1.103 -3.683
185 H ALA 27 H ALA 27 3.159 2.680 -3.366
186 HA ALA 27 HA ALA 27 0.699 2.144 -1.803
187 1HB ALA 27 1HB ALA 27 -0.636 2.632 -3.911
188 2HB ALA 27 2HB ALA 27 -0.015 4.053 -3.080
189 3HB ALA 27 3HB ALA 27 0.793 3.453 -4.559
190 H TYR 28 H TYR 28 -0.275 0.198 -2.388
191 HA TYR 28 HA TYR 28 1.430 -1.668 -3.889
192 1HB TYR 28 1HB TYR 28 0.204 -2.416 -1.829
193 2HB TYR 28 2HB TYR 28 -1.296 -2.071 -2.634
194 HD1 TYR 28 1HD TYR 28 -2.418 -3.825 -3.830
195 HD2 TYR 28 2HD TYR 28 1.803 -4.227 -3.033
196 HE1 TYR 28 1HE TYR 28 -2.461 -6.082 -4.754
197 HE2 TYR 28 2HE TYR 28 1.768 -6.482 -3.999
198 HH TYR 28 HH TYR 28 -1.196 -8.108 -4.948
199 H SER 29 H SER 29 0.961 -2.534 -5.867
200 HA SER 29 HA SER 29 -1.413 -1.542 -7.314
201 1HB SER 29 1HB SER 29 1.479 -1.650 -8.119
202 2HB SER 29 2HB SER 29 0.241 -1.596 -9.347
203 HG SER 29 HG SER 29 -0.215 0.055 -7.199
204 HA PRO 30 HA PRO 30 -1.735 -6.062 -7.202
205 1HB PRO 30 1HB PRO 30 -4.253 -6.288 -8.308
206 2HB PRO 30 2HB PRO 30 -3.955 -5.889 -6.590
207 1HG PRO 30 1HG PRO 30 -4.550 -3.987 -8.869
208 2HG PRO 30 2HG PRO 30 -5.255 -4.004 -7.226
209 1HD PRO 30 1HD PRO 30 -3.243 -2.330 -7.896
210 2HD PRO 30 2HD PRO 30 -3.310 -3.072 -6.270
211 H LEU 31 H LEU 31 -2.497 -3.955 -9.980
212 HA LEU 31 HA LEU 31 -2.114 -5.897 -12.030
213 1HB LEU 31 1HB LEU 31 -2.144 -2.895 -11.945
214 2HB LEU 31 2HB LEU 31 -1.694 -3.742 -13.422
215 HG LEU 31 HG LEU 31 -4.273 -4.379 -11.937
216 1HD1 LEU 31 1HD1 LEU 31 -4.263 -2.016 -12.568
217 2HD1 LEU 31 2HD1 LEU 31 -3.819 -2.451 -14.241
218 3HD1 LEU 31 3HD1 LEU 31 -5.397 -2.938 -13.572
219 1HD2 LEU 31 1HD2 LEU 31 -4.986 -5.254 -14.162
220 2HD2 LEU 31 2HD2 LEU 31 -3.372 -4.908 -14.815
221 3HD2 LEU 31 3HD2 LEU 31 -3.590 -6.134 -13.551
222 H LEU 32 H LEU 32 0.198 -4.326 -9.974
223 HA LEU 32 HA LEU 32 2.443 -5.095 -11.784
224 1HB LEU 32 1HB LEU 32 2.081 -3.118 -9.546
225 2HB LEU 32 2HB LEU 32 3.685 -3.646 -9.960
226 HG LEU 32 HG LEU 32 1.816 -2.408 -12.021
227 1HD1 LEU 32 1HD1 LEU 32 3.199 -0.352 -11.766
228 2HD1 LEU 32 2HD1 LEU 32 2.266 -0.730 -10.320
229 3HD1 LEU 32 3HD1 LEU 32 4.013 -1.091 -10.367
230 1HD2 LEU 32 1HD2 LEU 32 3.614 -3.762 -13.024
231 2HD2 LEU 32 2HD2 LEU 32 3.924 -2.052 -13.302
232 3HD2 LEU 32 3HD2 LEU 32 4.830 -2.923 -12.041
233 H GLN 33 H GLN 33 0.541 -6.182 -9.275
234 HA GLN 33 HA GLN 33 0.636 -7.477 -7.537
235 1HB GLN 33 1HB GLN 33 1.179 -8.935 -9.571
236 2HB GLN 33 2HB GLN 33 2.852 -8.933 -9.022
237 1HG GLN 33 1HG GLN 33 1.177 -9.560 -6.770
238 2HG GLN 33 2HG GLN 33 0.564 -10.500 -8.121
239 1HE2 GLN 33 1HE2 GLN 33 3.782 -9.605 -6.767
240 2HE2 GLN 33 2HE2 GLN 33 4.480 -11.227 -6.969
241 H GLN 34 H GLN 34 2.119 -5.075 -7.190
242 HA GLN 34 HA GLN 34 3.899 -5.745 -5.018
243 1HB GLN 34 1HB GLN 34 5.302 -6.289 -7.123
244 2HB GLN 34 2HB GLN 34 5.165 -4.571 -7.510
245 1HG GLN 34 1HG GLN 34 7.340 -5.487 -6.487
246 2HG GLN 34 2HG GLN 34 6.715 -3.921 -6.025
247 1HE2 GLN 34 1HE2 GLN 34 6.461 -7.412 -4.828
248 2HE2 GLN 34 2HE2 GLN 34 6.755 -6.882 -3.167
249 H CYS 35 H CYS 35 5.094 -3.687 -4.376
250 HA CYS 35 HA CYS 35 3.236 -1.383 -4.563
251 1HB CYS 35 1HB CYS 35 5.407 -2.075 -2.581
252 2HB CYS 35 2HB CYS 35 4.479 -0.571 -2.546
253 H HIS 36 H HIS 36 3.962 0.605 -4.947
254 HA HIS 36 HA HIS 36 6.809 0.950 -5.774
255 1HB HIS 36 1HB HIS 36 6.229 2.088 -7.852
256 2HB HIS 36 2HB HIS 36 5.602 0.448 -7.853
257 HD1 HIS 36 1HD HIS 36 4.303 4.093 -7.348
258 HD2 HIS 36 2HD HIS 36 2.912 0.156 -8.217
259 HE1 HIS 36 1HE HIS 36 1.809 4.265 -7.926
260 HE2 HIS 36 2HE HIS 36 1.025 1.809 -8.424
261 HA PRO 37 HA PRO 37 6.356 4.822 -3.646
262 1HB PRO 37 1HB PRO 37 8.054 6.170 -5.713
263 2HB PRO 37 2HB PRO 37 8.323 6.044 -3.951
264 1HG PRO 37 1HG PRO 37 9.761 4.594 -5.810
265 2HG PRO 37 2HG PRO 37 9.381 3.987 -4.177
266 1HD PRO 37 1HD PRO 37 8.080 3.265 -6.785
267 2HD PRO 37 2HD PRO 37 8.409 2.263 -5.360
268 H PHE 38 H PHE 38 5.520 7.212 -4.015
269 HA PHE 38 HA PHE 38 4.762 7.954 -6.644
270 1HB PHE 38 1HB PHE 38 2.421 7.959 -6.546
271 2HB PHE 38 2HB PHE 38 2.889 6.326 -6.165
272 HD1 PHE 38 1HD PHE 38 2.823 5.580 -3.670
273 HD2 PHE 38 2HD PHE 38 0.961 9.186 -5.145
274 HE1 PHE 38 1HE PHE 38 1.234 5.600 -1.734
275 HE2 PHE 38 2HE PHE 38 -0.555 9.192 -3.206
276 HZ PHE 38 HZ PHE 38 -0.435 7.376 -1.504
277 H VAL 39 H VAL 39 3.554 10.104 -6.498
278 HA VAL 39 HA VAL 39 4.699 11.699 -4.289
279 HB VAL 39 HB VAL 39 3.477 12.421 -7.004
280 1HG1 VAL 39 1HG1 VAL 39 2.909 14.181 -5.443
281 2HG1 VAL 39 2HG1 VAL 39 4.552 14.195 -4.787
282 3HG1 VAL 39 3HG1 VAL 39 4.245 14.755 -6.448
283 1HG2 VAL 39 1HG2 VAL 39 5.767 13.230 -7.514
284 2HG2 VAL 39 2HG2 VAL 39 6.331 12.647 -5.934
285 3HG2 VAL 39 3HG2 VAL 39 5.771 11.498 -7.168
286 H TYR 40 H TYR 40 3.371 11.913 -2.565
287 HA TYR 40 HA TYR 40 0.425 11.975 -2.942
288 1HB TYR 40 1HB TYR 40 0.989 10.124 -1.584
289 2HB TYR 40 2HB TYR 40 2.281 10.953 -0.787
290 HD1 TYR 40 1HD TYR 40 1.983 11.482 1.389
291 HD2 TYR 40 2HD TYR 40 -1.460 11.418 -1.209
292 HE1 TYR 40 1HE TYR 40 0.547 12.050 3.306
293 HE2 TYR 40 2HE TYR 40 -2.886 12.095 0.698
294 HH TYR 40 HH TYR 40 -2.769 13.012 2.887
295 H GLY 41 H GLY 41 -0.602 13.707 -1.589
296 1HA GLY 41 1HA GLY 41 1.038 16.138 -1.736
297 2HA GLY 41 2HA GLY 41 -0.702 16.035 -1.677
298 H GLY 42 H GLY 42 0.370 14.047 0.776
299 1HA GLY 42 1HA GLY 42 0.753 14.215 3.002
300 2HA GLY 42 2HA GLY 42 1.118 15.935 2.848
301 H CYS 43 H CYS 43 -1.514 16.452 1.589
302 HA CYS 43 HA CYS 43 -3.336 16.351 3.897
303 1HB CYS 43 1HB CYS 43 -4.484 18.140 2.890
304 2HB CYS 43 2HB CYS 43 -2.780 18.505 2.797
305 H GLU 44 H GLU 44 -5.763 16.319 2.623
306 HA GLU 44 HA GLU 44 -6.650 13.834 2.614
307 1HB GLU 44 1HB GLU 44 -7.582 15.787 0.505
308 2HB GLU 44 2HB GLU 44 -8.456 14.414 1.174
309 1HG GLU 44 1HG GLU 44 -9.358 16.136 2.371
310 2HG GLU 44 2HG GLU 44 -8.135 15.568 3.488
311 H GLY 45 H GLY 45 -6.625 11.928 1.414
312 1HA GLY 45 1HA GLY 45 -6.206 11.668 -1.355
313 2HA GLY 45 2HA GLY 45 -4.706 11.303 -0.491
314 H ASN 46 H ASN 46 -5.324 8.997 -1.385
315 HA ASN 46 HA ASN 46 -7.624 7.815 0.047
316 1HB ASN 46 1HB ASN 46 -5.820 6.299 -1.841
317 2HB ASN 46 2HB ASN 46 -7.411 5.878 -1.295
318 1HD2 ASN 46 1HD2 ASN 46 -7.170 5.674 -4.001
319 2HD2 ASN 46 2HD2 ASN 46 -8.019 7.044 -4.684
320 H GLY 47 H GLY 47 -7.171 5.450 0.603
321 1HA GLY 47 1HA GLY 47 -5.456 5.565 2.987
322 2HA GLY 47 2HA GLY 47 -6.615 4.292 2.589
323 H ASN 48 H ASN 48 -4.984 4.416 -0.205
324 HA ASN 48 HA ASN 48 -3.117 2.246 0.500
325 1HB ASN 48 1HB ASN 48 -4.566 2.285 -1.572
326 2HB ASN 48 2HB ASN 48 -3.650 3.582 -2.202
327 1HD2 ASN 48 1HD2 ASN 48 -3.734 1.281 -3.636
328 2HD2 ASN 48 2HD2 ASN 48 -2.308 0.289 -3.555
329 H ASN 49 H ASN 49 -2.021 3.710 2.022
330 HA ASN 49 HA ASN 49 -0.023 5.508 0.717
331 1HB ASN 49 1HB ASN 49 -2.148 6.651 1.593
332 2HB ASN 49 2HB ASN 49 -1.699 6.120 3.199
333 1HD2 ASN 49 1HD2 ASN 49 -1.576 8.636 1.053
334 2HD2 ASN 49 2HD2 ASN 49 -0.314 9.589 1.772
335 H PHE 50 H PHE 50 1.809 4.410 1.201
336 HA PHE 50 HA PHE 50 2.263 3.408 3.966
337 1HB PHE 50 1HB PHE 50 3.115 2.304 1.267
338 2HB PHE 50 2HB PHE 50 3.735 1.677 2.713
339 HD1 PHE 50 1HD PHE 50 0.952 1.550 0.408
340 HD2 PHE 50 2HD PHE 50 1.936 0.946 4.568
341 HE1 PHE 50 1HE PHE 50 -1.170 0.316 0.745
342 HE2 PHE 50 2HE PHE 50 -0.219 -0.204 4.903
343 HZ PHE 50 HZ PHE 50 -1.788 -0.519 2.989
344 H HIS 51 H HIS 51 4.474 3.476 4.694
345 HA HIS 51 HA HIS 51 5.692 6.060 3.781
346 1HB HIS 51 1HB HIS 51 5.962 4.389 6.318
347 2HB HIS 51 2HB HIS 51 6.986 5.758 5.943
348 HD1 HIS 51 1HD HIS 51 5.919 8.203 6.261
349 HD2 HIS 51 2HD HIS 51 3.258 4.943 6.751
350 HE1 HIS 51 1HE HIS 51 3.749 9.165 7.248
351 HE2 HIS 51 2HE HIS 51 2.117 7.165 7.508
352 H SER 52 H SER 52 6.052 2.761 3.237
353 HA SER 52 HA SER 52 8.721 2.977 2.139
354 1HB SER 52 1HB SER 52 9.404 0.976 3.687
355 2HB SER 52 2HB SER 52 9.540 2.595 4.296
356 HG SER 52 HG SER 52 8.453 1.108 5.807
357 H ARG 53 H ARG 53 9.309 0.722 1.263
358 HA ARG 53 HA ARG 53 6.973 -0.431 0.123
359 1HB ARG 53 1HB ARG 53 9.329 -0.454 -0.799
360 2HB ARG 53 2HB ARG 53 9.611 -1.879 0.248
361 1HG ARG 53 1HG ARG 53 7.676 -3.055 -0.679
362 2HG ARG 53 2HG ARG 53 7.081 -1.595 -1.467
363 1HD ARG 53 1HD ARG 53 8.005 -2.363 -3.222
364 2HD ARG 53 2HD ARG 53 9.347 -1.503 -2.556
365 HE ARG 53 HE ARG 53 9.266 -4.131 -1.414
366 1HH1 ARG 53 2HH2 ARG 53 9.726 -3.149 -4.747
367 2HH1 ARG 53 1HH2 ARG 53 10.048 -4.767 -5.301
368 1HH2 ARG 53 2HH1 ARG 53 9.306 -6.093 -2.080
369 2HH2 ARG 53 1HH1 ARG 53 9.816 -6.590 -3.641
370 H GLU 54 H GLU 54 9.148 -1.203 2.796
371 HA GLU 54 HA GLU 54 8.419 -3.607 3.831
372 1HB GLU 54 1HB GLU 54 10.138 -2.390 4.755
373 2HB GLU 54 2HB GLU 54 9.309 -0.903 4.801
374 1HG GLU 54 1HG GLU 54 8.357 -2.996 6.742
375 2HG GLU 54 2HG GLU 54 9.985 -2.345 6.987
376 H SER 55 H SER 55 6.978 -0.675 5.103
377 HA SER 55 HA SER 55 4.815 -1.903 6.276
378 1HB SER 55 1HB SER 55 3.607 0.363 6.138
379 2HB SER 55 2HB SER 55 5.174 0.308 6.936
380 HG SER 55 HG SER 55 6.141 1.232 5.190
381 H CYS 56 H CYS 56 4.991 -1.150 2.902
382 HA CYS 56 HA CYS 56 2.157 -1.513 2.355
383 1HB CYS 56 1HB CYS 56 4.003 -0.108 1.145
384 2HB CYS 56 2HB CYS 56 4.569 -1.600 0.469
385 H GLU 57 H GLU 57 5.095 -3.422 1.878
386 HA GLU 57 HA GLU 57 3.701 -5.749 0.799
387 1HB GLU 57 1HB GLU 57 6.526 -5.330 1.863
388 2HB GLU 57 2HB GLU 57 5.909 -6.929 1.405
389 1HG GLU 57 1HG GLU 57 5.328 -6.082 -0.853
390 2HG GLU 57 2HG GLU 57 5.988 -4.507 -0.442
391 H ASP 58 H ASP 58 4.558 -4.593 4.104
392 HA ASP 58 HA ASP 58 3.682 -7.022 5.387
393 1HB ASP 58 1HB ASP 58 5.083 -5.440 6.595
394 2HB ASP 58 2HB ASP 58 3.870 -4.164 6.411
395 H ALA 59 H ALA 59 1.971 -3.974 4.288
396 HA ALA 59 HA ALA 59 -0.521 -4.756 5.442
397 1HB ALA 59 1HB ALA 59 -0.077 -2.480 4.724
398 2HB ALA 59 2HB ALA 59 0.032 -2.988 3.023
399 3HB ALA 59 3HB ALA 59 -1.509 -3.125 3.892
400 H CYS 60 H CYS 60 0.617 -5.069 2.015
401 HA CYS 60 HA CYS 60 -1.235 -7.376 1.714
402 1HB CYS 60 1HB CYS 60 -0.976 -4.978 -0.061
403 2HB CYS 60 2HB CYS 60 -1.470 -6.545 -0.693
404 HA PRO 61 HA PRO 61 2.813 -8.812 0.236
405 1HB PRO 61 1HB PRO 61 2.728 -11.320 1.319
406 2HB PRO 61 2HB PRO 61 3.119 -9.881 2.301
407 1HG PRO 61 1HG PRO 61 0.441 -11.279 2.034
408 2HG PRO 61 2HG PRO 61 1.287 -10.775 3.534
409 1HD PRO 61 1HD PRO 61 -0.668 -9.282 2.318
410 2HD PRO 61 2HD PRO 61 0.669 -8.520 3.222
411 H VAL 62 H VAL 62 2.951 -11.298 -0.810
412 HA VAL 62 HA VAL 62 0.782 -11.401 -2.849
413 HB VAL 62 HB VAL 62 3.346 -13.031 -2.826
414 1HG1 VAL 62 1HG1 VAL 62 1.508 -12.115 -5.074
415 2HG1 VAL 62 2HG1 VAL 62 3.072 -12.913 -5.323
416 3HG1 VAL 62 3HG1 VAL 62 1.788 -13.786 -4.528
417 1HG2 VAL 62 1HG2 VAL 62 4.141 -10.697 -2.688
418 2HG2 VAL 62 2HG2 VAL 62 4.394 -11.308 -4.316
419 3HG2 VAL 62 3HG2 VAL 62 3.027 -10.222 -3.989
420 H VAL 63 H VAL 63 0.425 -13.971 -3.391
421 HA VAL 63 HA VAL 63 -1.133 -14.892 -1.292
422 HB VAL 63 HB VAL 63 0.040 -16.916 -3.143
423 1HG1 VAL 63 1HG1 VAL 63 -1.551 -17.686 -1.468
424 2HG1 VAL 63 2HG1 VAL 63 -2.764 -16.524 -2.057
425 3HG1 VAL 63 3HG1 VAL 63 -2.230 -17.862 -3.090
426 1HG2 VAL 63 1HG2 VAL 63 -1.709 -16.321 -4.875
427 2HG2 VAL 63 2HG2 VAL 63 -2.054 -14.840 -3.965
428 3HG2 VAL 63 3HG2 VAL 63 -0.462 -15.088 -4.723
429 H ASP 64 H ASP 64 -0.810 -16.074 0.390
430 HA ASP 64 HA ASP 64 1.810 -15.997 1.504
431 1HB ASP 64 1HB ASP 64 -0.165 -15.734 2.946
432 2HB ASP 64 2HB ASP 64 -0.563 -17.453 2.715
433 H HIS 65 H HIS 65 3.178 -17.586 2.267
434 HA HIS 65 HA HIS 65 2.894 -20.289 1.377
435 1HB HIS 65 1HB HIS 65 5.174 -18.328 0.917
436 2HB HIS 65 2HB HIS 65 5.430 -20.047 0.986
437 HD1 HIS 65 1HD HIS 65 2.970 -17.694 -1.062
438 HD2 HIS 65 2HD HIS 65 5.197 -21.306 -1.329
439 HE1 HIS 65 1HE HIS 65 2.648 -18.556 -3.395
440 HE2 HIS 65 2HE HIS 65 3.984 -20.761 -3.594
441 H HIS 66 H HIS 66 3.383 -18.040 3.912
442 HA HIS 66 HA HIS 66 3.254 -19.606 5.965
443 1HB HIS 66 1HB HIS 66 5.553 -19.743 7.018
444 2HB HIS 66 2HB HIS 66 5.173 -20.901 5.771
445 HD1 HIS 66 1HD HIS 66 6.805 -17.403 5.710
446 HD2 HIS 66 2HD HIS 66 7.181 -21.314 4.198
447 HE1 HIS 66 1HE HIS 66 8.991 -17.424 4.254
448 HE2 HIS 66 2HE HIS 66 9.196 -19.843 3.352
449 H HIS 67 H HIS 67 2.036 -17.518 6.163
450 HA HIS 67 HA HIS 67 3.722 -15.424 7.481
451 1HB HIS 67 1HB HIS 67 2.208 -13.750 6.850
452 2HB HIS 67 2HB HIS 67 2.542 -14.691 5.428
453 HD1 HIS 67 1HD HIS 67 -0.018 -12.853 5.373
454 HD2 HIS 67 2HD HIS 67 0.008 -16.895 6.741
455 HE1 HIS 67 1HE HIS 67 -2.306 -13.747 5.005
456 HE2 HIS 67 2HE HIS 67 -2.345 -16.191 5.871
457 H HIS 68 H HIS 68 2.509 -14.078 9.128
458 HA HIS 68 HA HIS 68 0.484 -15.494 10.705
459 1HB HIS 68 1HB HIS 68 1.688 -15.280 12.819
460 2HB HIS 68 2HB HIS 68 2.485 -16.386 11.721
461 HD1 HIS 68 1HD HIS 68 2.871 -12.696 12.800
462 HD2 HIS 68 2HD HIS 68 5.089 -16.072 11.583
463 HE1 HIS 68 1HE HIS 68 5.395 -12.062 13.065
464 HE2 HIS 68 2HE HIS 68 6.721 -14.136 12.301
465 H HIS 69 H HIS 69 -0.058 -13.452 9.085
466 HA HIS 69 HA HIS 69 -0.798 -11.169 10.569
467 1HB HIS 69 1HB HIS 69 1.683 -10.698 10.305
468 2HB HIS 69 2HB HIS 69 1.534 -10.968 8.573
469 HD1 HIS 69 1HD HIS 69 0.994 -8.218 11.196
470 HD2 HIS 69 2HD HIS 69 0.824 -8.965 7.035
471 HE1 HIS 69 1HE HIS 69 0.932 -5.969 9.973
472 HE2 HIS 69 2HE HIS 69 0.870 -6.471 7.555
473 H HIS 70 H HIS 70 -1.169 -9.537 8.263
474 HA HIS 70 HA HIS 70 -3.274 -10.802 6.773
475 1HB HIS 70 1HB HIS 70 -3.008 -8.314 7.211
476 2HB HIS 70 2HB HIS 70 -1.576 -8.324 6.176
477 HD1 HIS 70 1HD HIS 70 -2.902 -10.061 3.793
478 HD2 HIS 70 2HD HIS 70 -4.248 -6.518 5.657
479 HE1 HIS 70 1HE HIS 70 -4.248 -8.670 2.000
480 HE2 HIS 70 2HE HIS 70 -5.052 -6.522 3.251
Start of MODEL 19
1 1H GLU 1 1H GLU 1 -2.954 -7.231 3.452
2 2H GLU 1 2H GLU 1 -4.046 -8.098 4.368
3 3H GLU 1 H GLU 1 -4.568 -6.959 3.301
4 HA GLU 1 HA GLU 1 -4.029 -8.194 1.472
5 1HB GLU 1 1HB GLU 1 -1.882 -8.878 2.311
6 2HB GLU 1 2HB GLU 1 -2.568 -10.036 3.420
7 1HG GLU 1 1HG GLU 1 -3.145 -10.281 0.441
8 2HG GLU 1 2HG GLU 1 -1.548 -10.721 1.035
9 H ALA 2 H ALA 2 -5.441 -9.929 0.660
10 HA ALA 2 HA ALA 2 -7.018 -11.534 2.379
11 1HB ALA 2 1HB ALA 2 -8.346 -9.185 0.913
12 2HB ALA 2 2HB ALA 2 -9.215 -10.536 1.656
13 3HB ALA 2 3HB ALA 2 -8.293 -9.415 2.676
14 H GLU 3 H GLU 3 -8.751 -12.638 0.754
15 HA GLU 3 HA GLU 3 -7.638 -12.697 -2.026
16 1HB GLU 3 1HB GLU 3 -8.517 -14.984 -0.257
17 2HB GLU 3 2HB GLU 3 -8.611 -15.098 -2.014
18 1HG GLU 3 1HG GLU 3 -6.179 -14.701 -2.194
19 2HG GLU 3 2HG GLU 3 -6.068 -14.623 -0.425
20 H ALA 4 H ALA 4 -10.533 -13.856 -0.220
21 HA ALA 4 HA ALA 4 -12.245 -12.477 -2.260
22 1HB ALA 4 1HB ALA 4 -12.796 -15.136 -0.888
23 2HB ALA 4 2HB ALA 4 -13.836 -14.313 -2.068
24 3HB ALA 4 3HB ALA 4 -12.254 -14.937 -2.579
25 H GLU 5 H GLU 5 -11.332 -12.613 0.948
26 HA GLU 5 HA GLU 5 -13.704 -12.418 2.409
27 1HB GLU 5 1HB GLU 5 -10.873 -11.406 2.913
28 2HB GLU 5 2HB GLU 5 -12.143 -11.339 4.126
29 1HG GLU 5 1HG GLU 5 -10.630 -13.288 4.402
30 2HG GLU 5 2HG GLU 5 -12.330 -13.715 4.238
31 H PHE 6 H PHE 6 -11.669 -9.698 1.103
32 HA PHE 6 HA PHE 6 -13.947 -7.946 1.064
33 1HB PHE 6 1HB PHE 6 -13.212 -7.981 3.528
34 2HB PHE 6 2HB PHE 6 -11.672 -7.314 3.007
35 HD1 PHE 6 1HD PHE 6 -11.448 -4.936 2.898
36 HD2 PHE 6 2HD PHE 6 -15.382 -6.712 2.850
37 HE1 PHE 6 1HE PHE 6 -12.460 -2.689 2.987
38 HE2 PHE 6 2HE PHE 6 -16.398 -4.445 2.958
39 HZ PHE 6 HZ PHE 6 -14.938 -2.428 3.024
40 H THR 7 H THR 7 -13.122 -5.695 0.305
41 HA THR 7 HA THR 7 -10.924 -6.090 -1.655
42 HB THR 7 HB THR 7 -12.864 -3.772 -1.258
43 HG1 THR 7 1HG THR 7 -13.581 -5.881 -2.123
44 1HG2 THR 7 1HG2 THR 7 -11.975 -3.005 -3.463
45 2HG2 THR 7 2HG2 THR 7 -10.718 -2.999 -2.220
46 3HG2 THR 7 3HG2 THR 7 -10.761 -4.305 -3.418
47 H ASP 8 H ASP 8 -9.062 -6.036 -0.464
48 HA ASP 8 HA ASP 8 -8.543 -4.397 1.805
49 1HB ASP 8 1HB ASP 8 -7.211 -6.385 0.915
50 2HB ASP 8 2HB ASP 8 -6.538 -5.302 -0.305
51 H ALA 9 H ALA 9 -7.547 -2.311 1.906
52 HA ALA 9 HA ALA 9 -8.323 -0.313 -0.041
53 1HB ALA 9 1HB ALA 9 -6.118 -0.227 2.079
54 2HB ALA 9 2HB ALA 9 -6.763 1.158 1.188
55 3HB ALA 9 3HB ALA 9 -7.811 0.279 2.324
56 H CYS 10 H CYS 10 -5.538 -2.469 0.308
57 HA CYS 10 HA CYS 10 -3.699 -0.955 -1.228
58 1HB CYS 10 1HB CYS 10 -2.294 -2.740 -0.879
59 2HB CYS 10 2HB CYS 10 -3.425 -2.917 0.417
60 H VAL 11 H VAL 11 -6.457 -2.836 -2.279
61 HA VAL 11 HA VAL 11 -5.577 -3.237 -5.017
62 HB VAL 11 HB VAL 11 -8.367 -3.231 -3.776
63 1HG1 VAL 11 1HG1 VAL 11 -9.045 -4.653 -5.643
64 2HG1 VAL 11 2HG1 VAL 11 -8.443 -3.113 -6.256
65 3HG1 VAL 11 3HG1 VAL 11 -7.419 -4.564 -6.348
66 1HG2 VAL 11 1HG2 VAL 11 -8.121 -5.716 -3.704
67 2HG2 VAL 11 2HG2 VAL 11 -6.424 -5.552 -4.206
68 3HG2 VAL 11 3HG2 VAL 11 -6.972 -4.917 -2.642
69 H LEU 12 H LEU 12 -6.973 -0.611 -3.191
70 HA LEU 12 HA LEU 12 -8.197 0.790 -5.388
71 1HB LEU 12 1HB LEU 12 -9.415 1.059 -3.708
72 2HB LEU 12 2HB LEU 12 -8.197 0.925 -2.451
73 HG LEU 12 HG LEU 12 -7.701 3.406 -3.013
74 1HD1 LEU 12 1HD1 LEU 12 -10.254 2.967 -4.623
75 2HD1 LEU 12 2HD1 LEU 12 -10.026 4.488 -3.757
76 3HD1 LEU 12 3HD1 LEU 12 -8.853 4.021 -4.966
77 1HD2 LEU 12 1HD2 LEU 12 -9.630 4.031 -1.521
78 2HD2 LEU 12 2HD2 LEU 12 -10.318 2.418 -1.799
79 3HD2 LEU 12 3HD2 LEU 12 -8.754 2.586 -0.986
80 HA PRO 13 HA PRO 13 -4.402 2.723 -6.414
81 1HB PRO 13 1HB PRO 13 -5.369 4.771 -8.080
82 2HB PRO 13 2HB PRO 13 -5.027 3.084 -8.543
83 1HG PRO 13 1HG PRO 13 -7.654 4.390 -7.937
84 2HG PRO 13 2HG PRO 13 -7.310 3.047 -9.067
85 1HD PRO 13 1HD PRO 13 -8.436 2.796 -6.538
86 2HD PRO 13 2HD PRO 13 -7.641 1.457 -7.318
87 H ALA 14 H ALA 14 -3.368 4.905 -6.444
88 HA ALA 14 HA ALA 14 -3.937 6.166 -3.833
89 1HB ALA 14 1HB ALA 14 -1.634 6.863 -3.921
90 2HB ALA 14 2HB ALA 14 -1.704 5.148 -4.316
91 3HB ALA 14 3HB ALA 14 -1.467 6.351 -5.615
92 H VAL 15 H VAL 15 -3.293 8.612 -3.732
93 HA VAL 15 HA VAL 15 -4.211 10.171 -6.051
94 HB VAL 15 HB VAL 15 -5.516 10.014 -3.314
95 1HG1 VAL 15 1HG1 VAL 15 -5.451 12.355 -3.737
96 2HG1 VAL 15 2HG1 VAL 15 -6.003 12.137 -5.431
97 3HG1 VAL 15 3HG1 VAL 15 -7.082 11.814 -4.055
98 1HG2 VAL 15 1HG2 VAL 15 -6.693 9.627 -6.095
99 2HG2 VAL 15 2HG2 VAL 15 -6.429 8.364 -4.874
100 3HG2 VAL 15 3HG2 VAL 15 -7.620 9.619 -4.576
101 H GLN 16 H GLN 16 -3.555 12.368 -5.829
102 HA GLN 16 HA GLN 16 -1.190 12.813 -4.091
103 1HB GLN 16 1HB GLN 16 -2.270 14.133 -6.607
104 2HB GLN 16 2HB GLN 16 -1.082 14.958 -5.594
105 1HG GLN 16 1HG GLN 16 0.499 13.177 -5.817
106 2HG GLN 16 2HG GLN 16 -0.639 12.176 -6.736
107 1HE2 GLN 16 1HE2 GLN 16 1.685 14.870 -6.904
108 2HE2 GLN 16 2HE2 GLN 16 1.590 14.974 -8.646
109 H GLY 17 H GLY 17 -4.482 14.029 -4.544
110 1HA GLY 17 1HA GLY 17 -5.733 15.355 -3.144
111 2HA GLY 17 2HA GLY 17 -4.319 15.671 -2.133
112 HA PRO 18 HA PRO 18 -5.322 19.261 -5.023
113 1HB PRO 18 1HB PRO 18 -5.941 21.210 -3.182
114 2HB PRO 18 2HB PRO 18 -7.122 20.020 -3.808
115 1HG PRO 18 1HG PRO 18 -5.523 19.869 -1.230
116 2HG PRO 18 2HG PRO 18 -7.284 19.646 -1.459
117 1HD PRO 18 1HD PRO 18 -5.602 17.516 -1.341
118 2HD PRO 18 2HD PRO 18 -6.957 17.504 -2.478
119 H CYS 19 H CYS 19 -3.110 18.850 -2.328
120 HA CYS 19 HA CYS 19 -1.783 21.355 -2.476
121 1HB CYS 19 1HB CYS 19 -0.501 18.744 -1.632
122 2HB CYS 19 2HB CYS 19 -0.073 20.339 -1.091
123 H ARG 20 H ARG 20 0.454 21.602 -3.026
124 HA ARG 20 HA ARG 20 1.372 20.152 -5.461
125 1HB ARG 20 1HB ARG 20 1.415 23.122 -4.961
126 2HB ARG 20 2HB ARG 20 2.626 22.355 -5.942
127 1HG ARG 20 1HG ARG 20 1.032 23.295 -7.379
128 2HG ARG 20 2HG ARG 20 0.924 21.559 -7.532
129 1HD ARG 20 1HD ARG 20 -1.033 23.123 -5.816
130 2HD ARG 20 2HD ARG 20 -1.221 23.051 -7.568
131 HE ARG 20 HE ARG 20 -1.924 21.053 -5.672
132 1HH1 ARG 20 2HH2 ARG 20 -1.141 21.427 -9.073
133 2HH1 ARG 20 1HH2 ARG 20 -1.669 19.835 -9.511
134 1HH2 ARG 20 2HH1 ARG 20 -2.261 18.906 -6.123
135 2HH2 ARG 20 1HH1 ARG 20 -2.498 18.358 -7.736
136 H GLY 21 H GLY 21 1.913 20.216 -2.403
137 1HA GLY 21 1HA GLY 21 4.903 20.417 -2.433
138 2HA GLY 21 2HA GLY 21 3.882 20.096 -0.990
139 H TRP 22 H TRP 22 6.047 18.251 -2.072
140 HA TRP 22 HA TRP 22 4.330 15.988 -2.916
141 1HB TRP 22 1HB TRP 22 7.070 16.716 -3.941
142 2HB TRP 22 2HB TRP 22 6.151 15.293 -4.374
143 HD1 TRP 22 HD TRP 22 7.184 18.070 -6.036
144 HE1 TRP 22 1HE TRP 22 5.556 19.186 -7.646
145 HE3 TRP 22 3HE TRP 22 2.768 16.028 -4.347
146 HZ2 TRP 22 2HZ TRP 22 2.716 19.202 -8.166
147 HZ3 TRP 22 3HZ TRP 22 0.637 16.681 -5.362
148 HH2 TRP 22 HH TRP 22 0.582 18.233 -7.298
149 H GLU 23 H GLU 23 4.174 14.812 -1.314
150 HA GLU 23 HA GLU 23 6.353 14.199 0.604
151 1HB GLU 23 1HB GLU 23 4.236 15.062 1.491
152 2HB GLU 23 2HB GLU 23 3.305 13.847 0.624
153 1HG GLU 23 1HG GLU 23 3.379 13.219 2.881
154 2HG GLU 23 2HG GLU 23 4.324 12.071 1.949
155 HA PRO 24 HA PRO 24 6.425 10.347 -2.054
156 1HB PRO 24 1HB PRO 24 8.655 9.202 -0.994
157 2HB PRO 24 2HB PRO 24 8.725 10.561 -2.158
158 1HG PRO 24 1HG PRO 24 8.944 10.685 0.865
159 2HG PRO 24 2HG PRO 24 9.994 11.472 -0.355
160 1HD PRO 24 1HD PRO 24 7.969 12.795 0.881
161 2HD PRO 24 2HD PRO 24 8.361 13.113 -0.831
162 H ARG 25 H ARG 25 5.103 8.768 -1.646
163 HA ARG 25 HA ARG 25 5.220 7.351 0.958
164 1HB ARG 25 1HB ARG 25 2.717 8.433 -0.409
165 2HB ARG 25 2HB ARG 25 2.644 7.130 0.778
166 1HG ARG 25 1HG ARG 25 3.804 9.893 1.329
167 2HG ARG 25 2HG ARG 25 2.174 9.366 1.740
168 1HD ARG 25 1HD ARG 25 3.059 7.571 3.153
169 2HD ARG 25 2HD ARG 25 4.720 8.050 2.808
170 HE ARG 25 HE ARG 25 2.783 9.382 4.536
171 1HH1 ARG 25 2HH2 ARG 25 5.923 9.769 2.798
172 2HH1 ARG 25 1HH2 ARG 25 6.317 11.203 3.627
173 1HH2 ARG 25 2HH1 ARG 25 3.490 11.261 5.761
174 2HH2 ARG 25 1HH1 ARG 25 4.902 12.085 5.228
175 H TRP 26 H TRP 26 3.645 5.274 0.568
176 HA TRP 26 HA TRP 26 4.571 4.037 -1.988
177 1HB TRP 26 1HB TRP 26 4.765 3.083 0.885
178 2HB TRP 26 2HB TRP 26 4.750 1.953 -0.464
179 HD1 TRP 26 HD TRP 26 6.865 4.883 0.912
180 HE1 TRP 26 1HE TRP 26 9.248 4.686 0.015
181 HE3 TRP 26 3HE TRP 26 6.235 0.788 -2.054
182 HZ2 TRP 26 2HZ TRP 26 10.699 2.967 -1.867
183 HZ3 TRP 26 3HZ TRP 26 8.018 0.131 -3.667
184 HH2 TRP 26 HH TRP 26 10.269 1.041 -3.433
185 H ALA 27 H ALA 27 3.044 2.613 -2.976
186 HA ALA 27 HA ALA 27 0.560 2.054 -1.504
187 1HB ALA 27 1HB ALA 27 -0.059 4.105 -2.675
188 2HB ALA 27 2HB ALA 27 0.593 3.464 -4.214
189 3HB ALA 27 3HB ALA 27 -0.829 2.727 -3.462
190 H TYR 28 H TYR 28 -0.413 0.183 -2.198
191 HA TYR 28 HA TYR 28 1.225 -1.654 -3.794
192 1HB TYR 28 1HB TYR 28 -0.078 -2.370 -1.752
193 2HB TYR 28 2HB TYR 28 -1.535 -2.031 -2.666
194 HD1 TYR 28 1HD TYR 28 -2.350 -3.575 -4.392
195 HD2 TYR 28 2HD TYR 28 1.385 -4.330 -2.362
196 HE1 TYR 28 1HE TYR 28 -2.334 -5.891 -5.255
197 HE2 TYR 28 2HE TYR 28 1.416 -6.606 -3.257
198 HH TYR 28 HH TYR 28 0.116 -8.235 -4.255
199 H SER 29 H SER 29 0.768 -2.351 -5.838
200 HA SER 29 HA SER 29 -1.606 -1.233 -7.203
201 1HB SER 29 1HB SER 29 1.279 -1.288 -7.989
202 2HB SER 29 2HB SER 29 0.083 -1.256 -9.253
203 HG SER 29 HG SER 29 -0.470 0.348 -7.071
204 HA PRO 30 HA PRO 30 -2.007 -5.734 -7.521
205 1HB PRO 30 1HB PRO 30 -4.518 -5.786 -8.659
206 2HB PRO 30 2HB PRO 30 -4.226 -5.622 -6.896
207 1HG PRO 30 1HG PRO 30 -4.830 -3.462 -8.920
208 2HG PRO 30 2HG PRO 30 -5.502 -3.655 -7.281
209 1HD PRO 30 1HD PRO 30 -3.474 -1.929 -7.822
210 2HD PRO 30 2HD PRO 30 -3.548 -2.810 -6.270
211 H LEU 31 H LEU 31 -2.674 -3.279 -10.015
212 HA LEU 31 HA LEU 31 -2.324 -4.886 -12.326
213 1HB LEU 31 1HB LEU 31 -1.792 -1.917 -11.897
214 2HB LEU 31 2HB LEU 31 -1.847 -2.747 -13.432
215 HG LEU 31 HG LEU 31 -4.290 -3.500 -12.391
216 1HD1 LEU 31 1HD1 LEU 31 -4.002 -1.934 -10.444
217 2HD1 LEU 31 2HD1 LEU 31 -3.857 -0.584 -11.584
218 3HD1 LEU 31 3HD1 LEU 31 -5.370 -1.504 -11.475
219 1HD2 LEU 31 1HD2 LEU 31 -5.263 -1.852 -13.940
220 2HD2 LEU 31 2HD2 LEU 31 -3.690 -1.028 -14.070
221 3HD2 LEU 31 3HD2 LEU 31 -3.887 -2.690 -14.669
222 H LEU 32 H LEU 32 0.006 -3.878 -9.967
223 HA LEU 32 HA LEU 32 2.267 -4.602 -11.764
224 1HB LEU 32 1HB LEU 32 1.944 -2.731 -9.432
225 2HB LEU 32 2HB LEU 32 3.526 -3.319 -9.836
226 HG LEU 32 HG LEU 32 1.782 -1.884 -11.882
227 1HD1 LEU 32 1HD1 LEU 32 3.963 -0.747 -10.085
228 2HD1 LEU 32 2HD1 LEU 32 3.238 0.093 -11.477
229 3HD1 LEU 32 3HD1 LEU 32 2.228 -0.318 -10.091
230 1HD2 LEU 32 1HD2 LEU 32 4.773 -2.520 -11.830
231 2HD2 LEU 32 2HD2 LEU 32 3.561 -3.268 -12.886
232 3HD2 LEU 32 3HD2 LEU 32 3.942 -1.561 -13.077
233 H GLN 33 H GLN 33 0.222 -5.708 -9.422
234 HA GLN 33 HA GLN 33 0.096 -7.176 -7.849
235 1HB GLN 33 1HB GLN 33 0.870 -8.479 -9.910
236 2HB GLN 33 2HB GLN 33 2.463 -8.549 -9.163
237 1HG GLN 33 1HG GLN 33 0.498 -9.327 -7.203
238 2HG GLN 33 2HG GLN 33 0.094 -10.161 -8.694
239 1HE2 GLN 33 1HE2 GLN 33 3.070 -9.398 -6.795
240 2HE2 GLN 33 2HE2 GLN 33 3.794 -11.001 -7.014
241 H GLN 34 H GLN 34 1.820 -4.800 -7.250
242 HA GLN 34 HA GLN 34 3.044 -5.734 -4.826
243 1HB GLN 34 1HB GLN 34 4.712 -6.510 -6.713
244 2HB GLN 34 2HB GLN 34 5.107 -4.797 -6.853
245 1HG GLN 34 1HG GLN 34 5.921 -4.760 -4.541
246 2HG GLN 34 2HG GLN 34 5.272 -6.381 -4.260
247 1HE2 GLN 34 1HE2 GLN 34 7.058 -7.639 -4.003
248 2HE2 GLN 34 2HE2 GLN 34 8.289 -7.910 -5.240
249 H CYS 35 H CYS 35 4.402 -3.920 -3.820
250 HA CYS 35 HA CYS 35 3.069 -1.349 -4.242
251 1HB CYS 35 1HB CYS 35 5.133 -2.249 -2.215
252 2HB CYS 35 2HB CYS 35 4.435 -0.639 -2.287
253 H HIS 36 H HIS 36 3.920 0.509 -4.635
254 HA HIS 36 HA HIS 36 6.772 0.741 -5.453
255 1HB HIS 36 1HB HIS 36 6.219 1.930 -7.510
256 2HB HIS 36 2HB HIS 36 5.519 0.323 -7.532
257 HD1 HIS 36 1HD HIS 36 4.400 4.006 -6.950
258 HD2 HIS 36 2HD HIS 36 2.833 0.163 -7.877
259 HE1 HIS 36 1HE HIS 36 1.895 4.305 -7.446
260 HE2 HIS 36 2HE HIS 36 1.008 1.912 -8.036
261 HA PRO 37 HA PRO 37 6.294 4.602 -3.226
262 1HB PRO 37 1HB PRO 37 8.100 6.212 -4.748
263 2HB PRO 37 2HB PRO 37 8.439 5.328 -3.243
264 1HG PRO 37 1HG PRO 37 9.428 4.719 -5.887
265 2HG PRO 37 2HG PRO 37 9.671 3.785 -4.389
266 1HD PRO 37 1HD PRO 37 7.810 3.277 -6.614
267 2HD PRO 37 2HD PRO 37 8.412 2.164 -5.360
268 H PHE 38 H PHE 38 5.470 6.976 -3.649
269 HA PHE 38 HA PHE 38 4.765 7.597 -6.358
270 1HB PHE 38 1HB PHE 38 2.435 7.529 -6.276
271 2HB PHE 38 2HB PHE 38 2.920 5.961 -5.679
272 HD1 PHE 38 1HD PHE 38 0.897 8.847 -5.088
273 HD2 PHE 38 2HD PHE 38 2.914 5.628 -3.048
274 HE1 PHE 38 1HE PHE 38 -0.529 9.204 -3.128
275 HE2 PHE 38 2HE PHE 38 1.387 5.960 -1.098
276 HZ PHE 38 HZ PHE 38 -0.308 7.739 -1.127
277 H VAL 39 H VAL 39 3.591 9.738 -6.382
278 HA VAL 39 HA VAL 39 4.726 11.495 -4.306
279 HB VAL 39 HB VAL 39 3.373 12.057 -7.002
280 1HG1 VAL 39 1HG1 VAL 39 4.581 13.912 -4.925
281 2HG1 VAL 39 2HG1 VAL 39 4.201 14.400 -6.596
282 3HG1 VAL 39 3HG1 VAL 39 2.912 13.887 -5.493
283 1HG2 VAL 39 1HG2 VAL 39 5.647 11.098 -7.256
284 2HG2 VAL 39 2HG2 VAL 39 5.647 12.814 -7.674
285 3HG2 VAL 39 3HG2 VAL 39 6.288 12.288 -6.103
286 H TYR 40 H TYR 40 3.458 12.130 -2.670
287 HA TYR 40 HA TYR 40 0.518 12.185 -2.921
288 1HB TYR 40 1HB TYR 40 1.056 10.293 -1.586
289 2HB TYR 40 2HB TYR 40 2.350 11.100 -0.765
290 HD1 TYR 40 1HD TYR 40 2.042 11.825 1.365
291 HD2 TYR 40 2HD TYR 40 -1.389 11.477 -1.232
292 HE1 TYR 40 1HE TYR 40 0.588 12.423 3.238
293 HE2 TYR 40 2HE TYR 40 -2.867 12.096 0.656
294 HH TYR 40 HH TYR 40 -2.807 13.129 2.852
295 H GLY 41 H GLY 41 -0.217 13.886 -1.035
296 1HA GLY 41 1HA GLY 41 1.694 16.193 -1.150
297 2HA GLY 41 2HA GLY 41 0.008 16.316 -1.600
298 H GLY 42 H GLY 42 0.224 14.272 1.140
299 1HA GLY 42 1HA GLY 42 0.117 14.634 3.414
300 2HA GLY 42 2HA GLY 42 0.396 16.368 3.192
301 H CYS 43 H CYS 43 -1.753 16.832 1.344
302 HA CYS 43 HA CYS 43 -4.120 16.833 3.031
303 1HB CYS 43 1HB CYS 43 -5.105 17.803 0.838
304 2HB CYS 43 2HB CYS 43 -3.920 18.725 1.722
305 H GLU 44 H GLU 44 -6.182 16.266 1.428
306 HA GLU 44 HA GLU 44 -6.968 13.793 1.827
307 1HB GLU 44 1HB GLU 44 -7.521 15.252 -0.778
308 2HB GLU 44 2HB GLU 44 -8.469 13.948 -0.087
309 1HG GLU 44 1HG GLU 44 -9.708 15.710 0.634
310 2HG GLU 44 2HG GLU 44 -8.648 15.540 2.027
311 H GLY 45 H GLY 45 -6.702 11.709 1.179
312 1HA GLY 45 1HA GLY 45 -5.973 10.928 -1.425
313 2HA GLY 45 2HA GLY 45 -4.626 10.661 -0.294
314 H ASN 46 H ASN 46 -5.564 8.322 -1.183
315 HA ASN 46 HA ASN 46 -7.887 7.498 0.469
316 1HB ASN 46 1HB ASN 46 -6.437 5.723 -1.501
317 2HB ASN 46 2HB ASN 46 -8.017 5.501 -0.795
318 1HD2 ASN 46 1HD2 ASN 46 -7.509 5.470 -3.713
319 2HD2 ASN 46 2HD2 ASN 46 -8.474 6.825 -4.275
320 H GLY 47 H GLY 47 -7.558 5.056 1.105
321 1HA GLY 47 1HA GLY 47 -5.752 5.197 3.379
322 2HA GLY 47 2HA GLY 47 -6.848 3.865 2.998
323 H ASN 48 H ASN 48 -5.320 4.010 0.185
324 HA ASN 48 HA ASN 48 -3.274 1.995 0.869
325 1HB ASN 48 1HB ASN 48 -4.758 1.683 -1.043
326 2HB ASN 48 2HB ASN 48 -4.210 3.150 -1.793
327 1HD2 ASN 48 1HD2 ASN 48 -3.898 1.338 -3.453
328 2HD2 ASN 48 2HD2 ASN 48 -2.396 0.452 -3.531
329 H ASN 49 H ASN 49 -2.226 3.636 2.239
330 HA ASN 49 HA ASN 49 -0.249 5.253 0.737
331 1HB ASN 49 1HB ASN 49 -2.231 6.690 1.353
332 2HB ASN 49 2HB ASN 49 -1.961 6.292 3.050
333 1HD2 ASN 49 1HD2 ASN 49 -1.819 8.905 1.490
334 2HD2 ASN 49 2HD2 ASN 49 -0.251 9.561 1.867
335 H PHE 50 H PHE 50 1.547 4.276 1.400
336 HA PHE 50 HA PHE 50 1.807 3.326 4.187
337 1HB PHE 50 1HB PHE 50 2.904 2.193 1.600
338 2HB PHE 50 2HB PHE 50 3.430 1.640 3.128
339 HD1 PHE 50 1HD PHE 50 0.623 1.587 0.743
340 HD2 PHE 50 2HD PHE 50 1.751 0.668 4.811
341 HE1 PHE 50 1HE PHE 50 -1.492 0.334 1.067
342 HE2 PHE 50 2HE PHE 50 -0.407 -0.480 5.138
343 HZ PHE 50 HZ PHE 50 -2.041 -0.648 3.264
344 H HIS 51 H HIS 51 3.987 3.192 4.939
345 HA HIS 51 HA HIS 51 5.171 5.895 4.738
346 1HB HIS 51 1HB HIS 51 6.105 3.578 6.498
347 2HB HIS 51 2HB HIS 51 6.116 5.281 6.837
348 HD1 HIS 51 1HD HIS 51 4.182 2.160 7.311
349 HD2 HIS 51 2HD HIS 51 3.369 6.314 7.305
350 HE1 HIS 51 1HE HIS 51 1.836 2.452 8.371
351 HE2 HIS 51 2HE HIS 51 1.351 4.983 8.353
352 H SER 52 H SER 52 5.789 2.649 3.646
353 HA SER 52 HA SER 52 8.456 3.287 2.625
354 1HB SER 52 1HB SER 52 9.339 1.278 4.115
355 2HB SER 52 2HB SER 52 9.159 2.862 4.875
356 HG SER 52 HG SER 52 8.121 0.960 6.057
357 H ARG 53 H ARG 53 9.400 1.237 1.734
358 HA ARG 53 HA ARG 53 7.563 -0.244 0.069
359 1HB ARG 53 1HB ARG 53 9.890 0.130 -0.564
360 2HB ARG 53 2HB ARG 53 10.447 -0.757 0.851
361 1HG ARG 53 1HG ARG 53 10.563 -2.093 -1.145
362 2HG ARG 53 2HG ARG 53 9.481 -2.820 0.031
363 1HD ARG 53 1HD ARG 53 7.557 -1.849 -1.382
364 2HD ARG 53 2HD ARG 53 8.752 -1.421 -2.577
365 HE ARG 53 HE ARG 53 8.597 -4.189 -1.494
366 1HH1 ARG 53 2HH2 ARG 53 7.854 -2.495 -4.553
367 2HH1 ARG 53 1HH2 ARG 53 8.436 -3.848 -5.464
368 1HH2 ARG 53 2HH1 ARG 53 9.043 -5.809 -2.667
369 2HH2 ARG 53 1HH1 ARG 53 9.092 -5.793 -4.403
370 H GLU 54 H GLU 54 9.377 -0.970 3.003
371 HA GLU 54 HA GLU 54 8.681 -3.529 3.712
372 1HB GLU 54 1HB GLU 54 10.384 -2.334 4.783
373 2HB GLU 54 2HB GLU 54 9.458 -0.906 4.973
374 1HG GLU 54 1HG GLU 54 8.278 -2.901 6.708
375 2HG GLU 54 2HG GLU 54 10.035 -2.937 6.908
376 H SER 55 H SER 55 7.179 -0.797 5.404
377 HA SER 55 HA SER 55 5.040 -2.176 6.298
378 1HB SER 55 1HB SER 55 3.758 -0.116 6.661
379 2HB SER 55 2HB SER 55 5.420 -0.100 7.252
380 HG SER 55 HG SER 55 6.020 1.154 5.513
381 H CYS 56 H CYS 56 5.208 -0.999 3.036
382 HA CYS 56 HA CYS 56 2.371 -1.404 2.494
383 1HB CYS 56 1HB CYS 56 4.203 0.120 1.327
384 2HB CYS 56 2HB CYS 56 4.702 -1.319 0.505
385 H GLU 57 H GLU 57 5.350 -3.224 1.801
386 HA GLU 57 HA GLU 57 3.812 -5.421 0.612
387 1HB GLU 57 1HB GLU 57 6.714 -5.222 1.450
388 2HB GLU 57 2HB GLU 57 5.961 -6.785 1.066
389 1HG GLU 57 1HG GLU 57 5.105 -5.741 -1.106
390 2HG GLU 57 2HG GLU 57 6.158 -4.370 -0.773
391 H ASP 58 H ASP 58 4.819 -4.604 3.914
392 HA ASP 58 HA ASP 58 3.971 -7.015 5.180
393 1HB ASP 58 1HB ASP 58 5.244 -5.384 6.397
394 2HB ASP 58 2HB ASP 58 4.080 -4.117 6.050
395 H ALA 59 H ALA 59 2.098 -3.981 4.266
396 HA ALA 59 HA ALA 59 -0.359 -5.100 5.235
397 1HB ALA 59 1HB ALA 59 -1.409 -3.279 3.942
398 2HB ALA 59 2HB ALA 59 -0.026 -2.715 4.908
399 3HB ALA 59 3HB ALA 59 0.147 -2.938 3.148
400 H CYS 60 H CYS 60 1.123 -5.055 1.943
401 HA CYS 60 HA CYS 60 -0.653 -7.243 1.150
402 1HB CYS 60 1HB CYS 60 -0.540 -4.600 -0.190
403 2HB CYS 60 2HB CYS 60 -0.802 -6.082 -1.103
404 HA PRO 61 HA PRO 61 3.455 -8.546 -0.435
405 1HB PRO 61 1HB PRO 61 3.490 -10.975 0.706
406 2HB PRO 61 2HB PRO 61 3.795 -9.531 1.707
407 1HG PRO 61 1HG PRO 61 1.196 -11.061 1.393
408 2HG PRO 61 2HG PRO 61 1.996 -10.525 2.907
409 1HD PRO 61 1HD PRO 61 0.010 -9.141 1.621
410 2HD PRO 61 2HD PRO 61 1.240 -8.335 2.633
411 H VAL 62 H VAL 62 3.300 -11.167 -1.208
412 HA VAL 62 HA VAL 62 1.070 -11.056 -3.250
413 HB VAL 62 HB VAL 62 3.051 -13.297 -3.225
414 1HG1 VAL 62 1HG1 VAL 62 1.246 -13.496 -4.769
415 2HG1 VAL 62 2HG1 VAL 62 1.511 -11.856 -5.393
416 3HG1 VAL 62 3HG1 VAL 62 2.693 -13.142 -5.708
417 1HG2 VAL 62 1HG2 VAL 62 4.613 -11.392 -3.148
418 2HG2 VAL 62 2HG2 VAL 62 4.583 -12.029 -4.791
419 3HG2 VAL 62 3HG2 VAL 62 3.685 -10.541 -4.399
420 H VAL 63 H VAL 63 -0.079 -13.102 -3.358
421 HA VAL 63 HA VAL 63 -1.487 -13.493 -1.046
422 HB VAL 63 HB VAL 63 -1.378 -15.760 -2.943
423 1HG1 VAL 63 1HG1 VAL 63 -3.788 -15.920 -2.485
424 2HG1 VAL 63 2HG1 VAL 63 -2.827 -16.006 -1.000
425 3HG1 VAL 63 3HG1 VAL 63 -3.659 -14.501 -1.417
426 1HG2 VAL 63 1HG2 VAL 63 -2.766 -13.093 -3.469
427 2HG2 VAL 63 2HG2 VAL 63 -1.501 -13.842 -4.477
428 3HG2 VAL 63 3HG2 VAL 63 -3.100 -14.583 -4.376
429 H ASP 64 H ASP 64 -1.425 -14.494 0.570
430 HA ASP 64 HA ASP 64 0.951 -15.603 1.743
431 1HB ASP 64 1HB ASP 64 -0.554 -14.243 3.053
432 2HB ASP 64 2HB ASP 64 -1.920 -15.287 2.662
433 H HIS 65 H HIS 65 0.582 -17.627 3.245
434 HA HIS 65 HA HIS 65 0.583 -20.034 1.772
435 1HB HIS 65 1HB HIS 65 -0.183 -19.682 4.704
436 2HB HIS 65 2HB HIS 65 0.552 -21.094 3.959
437 HD1 HIS 65 1HD HIS 65 1.441 -17.516 5.155
438 HD2 HIS 65 2HD HIS 65 3.274 -20.982 3.540
439 HE1 HIS 65 1HE HIS 65 3.933 -17.195 5.440
440 HE2 HIS 65 2HE HIS 65 5.083 -19.289 4.445
441 H HIS 66 H HIS 66 -2.114 -18.228 3.386
442 HA HIS 66 HA HIS 66 -4.071 -20.300 2.924
443 1HB HIS 66 1HB HIS 66 -5.752 -18.646 3.380
444 2HB HIS 66 2HB HIS 66 -4.454 -18.480 4.545
445 HD1 HIS 66 1HD HIS 66 -5.417 -16.667 1.175
446 HD2 HIS 66 2HD HIS 66 -3.764 -15.994 5.028
447 HE1 HIS 66 1HE HIS 66 -4.932 -14.149 1.390
448 HE2 HIS 66 2HE HIS 66 -4.010 -13.712 3.582
449 H HIS 67 H HIS 67 -4.952 -20.936 0.948
450 HA HIS 67 HA HIS 67 -5.081 -18.963 -1.253
451 1HB HIS 67 1HB HIS 67 -3.696 -21.655 -1.406
452 2HB HIS 67 2HB HIS 67 -4.601 -21.033 -2.779
453 HD1 HIS 67 1HD HIS 67 -2.373 -18.568 -0.698
454 HD2 HIS 67 2HD HIS 67 -2.525 -20.699 -4.376
455 HE1 HIS 67 1HE HIS 67 -0.458 -17.746 -2.061
456 HE2 HIS 67 2HE HIS 67 -0.543 -18.956 -4.343
457 H HIS 68 H HIS 68 -7.140 -18.903 -1.855
458 HA HIS 68 HA HIS 68 -9.112 -20.807 -0.843
459 1HB HIS 68 1HB HIS 68 -9.239 -18.511 -2.847
460 2HB HIS 68 2HB HIS 68 -10.625 -19.542 -2.505
461 HD1 HIS 68 1HD HIS 68 -8.117 -17.718 -0.089
462 HD2 HIS 68 2HD HIS 68 -12.255 -18.131 -0.965
463 HE1 HIS 68 1HE HIS 68 -9.410 -16.331 1.634
464 HE2 HIS 68 2HE HIS 68 -11.792 -16.533 1.177
465 H HIS 69 H HIS 69 -10.471 -22.160 -2.261
466 HA HIS 69 HA HIS 69 -9.742 -22.761 -4.940
467 1HB HIS 69 1HB HIS 69 -9.162 -25.159 -4.516
468 2HB HIS 69 2HB HIS 69 -7.932 -24.068 -3.909
469 HD1 HIS 69 1HD HIS 69 -10.733 -26.416 -2.622
470 HD2 HIS 69 2HD HIS 69 -7.464 -24.072 -1.251
471 HE1 HIS 69 1HE HIS 69 -10.372 -27.038 -0.175
472 HE2 HIS 69 2HE HIS 69 -8.370 -25.616 0.671
473 H HIS 70 H HIS 70 -11.280 -24.721 -5.575
474 HA HIS 70 HA HIS 70 -13.911 -24.213 -4.344
475 1HB HIS 70 1HB HIS 70 -13.633 -24.629 -6.844
476 2HB HIS 70 2HB HIS 70 -13.103 -26.271 -6.453
477 HD1 HIS 70 1HD HIS 70 -15.438 -26.556 -4.111
478 HD2 HIS 70 2HD HIS 70 -15.790 -25.568 -8.203
479 HE1 HIS 70 1HE HIS 70 -17.873 -27.163 -4.807
480 HE2 HIS 70 2HE HIS 70 -18.064 -26.552 -7.322
Start of MODEL 20
1 1H GLU 1 1H GLU 1 -13.525 -2.105 -5.283
2 2H GLU 1 2H GLU 1 -14.891 -2.533 -4.449
3 3H GLU 1 H GLU 1 -14.994 -1.452 -5.702
4 HA GLU 1 HA GLU 1 -14.174 -4.250 -5.985
5 1HB GLU 1 1HB GLU 1 -16.782 -2.828 -6.689
6 2HB GLU 1 2HB GLU 1 -16.330 -4.418 -7.302
7 1HG GLU 1 1HG GLU 1 -17.908 -4.475 -5.327
8 2HG GLU 1 2HG GLU 1 -16.421 -5.406 -5.120
9 H ALA 2 H ALA 2 -12.830 -4.433 -7.828
10 HA ALA 2 HA ALA 2 -12.810 -2.328 -9.838
11 1HB ALA 2 1HB ALA 2 -11.725 -1.169 -7.924
12 2HB ALA 2 2HB ALA 2 -10.539 -2.485 -7.790
13 3HB ALA 2 3HB ALA 2 -10.586 -1.459 -9.242
14 H GLU 3 H GLU 3 -9.630 -3.394 -9.568
15 HA GLU 3 HA GLU 3 -9.908 -5.331 -11.633
16 1HB GLU 3 1HB GLU 3 -7.563 -5.048 -9.705
17 2HB GLU 3 2HB GLU 3 -7.571 -5.810 -11.291
18 1HG GLU 3 1HG GLU 3 -6.779 -3.868 -12.052
19 2HG GLU 3 2HG GLU 3 -8.436 -3.308 -11.999
20 H ALA 4 H ALA 4 -10.356 -5.649 -8.225
21 HA ALA 4 HA ALA 4 -10.499 -8.604 -8.465
22 1HB ALA 4 1HB ALA 4 -9.657 -7.019 -6.003
23 2HB ALA 4 2HB ALA 4 -9.900 -8.779 -6.090
24 3HB ALA 4 3HB ALA 4 -8.596 -8.023 -7.021
25 H GLU 5 H GLU 5 -11.994 -9.526 -6.942
26 HA GLU 5 HA GLU 5 -14.618 -8.650 -7.323
27 1HB GLU 5 1HB GLU 5 -13.675 -10.602 -5.175
28 2HB GLU 5 2HB GLU 5 -15.258 -10.503 -5.929
29 1HG GLU 5 1HG GLU 5 -14.493 -12.238 -7.140
30 2HG GLU 5 2HG GLU 5 -13.839 -10.973 -8.171
31 H PHE 6 H PHE 6 -12.406 -7.748 -4.869
32 HA PHE 6 HA PHE 6 -14.388 -6.092 -3.501
33 1HB PHE 6 1HB PHE 6 -14.265 -7.987 -1.998
34 2HB PHE 6 2HB PHE 6 -12.509 -8.045 -2.116
35 HD1 PHE 6 1HD PHE 6 -11.317 -7.217 -0.270
36 HD2 PHE 6 2HD PHE 6 -15.152 -5.470 -1.234
37 HE1 PHE 6 1HE PHE 6 -11.064 -5.609 1.600
38 HE2 PHE 6 2HE PHE 6 -14.873 -3.861 0.619
39 HZ PHE 6 HZ PHE 6 -12.828 -3.922 2.042
40 H THR 7 H THR 7 -12.921 -4.386 -2.132
41 HA THR 7 HA THR 7 -10.249 -4.117 -3.356
42 HB THR 7 HB THR 7 -12.339 -1.932 -3.535
43 HG1 THR 7 1HG THR 7 -11.521 -3.964 -5.173
44 1HG2 THR 7 1HG2 THR 7 -9.986 -1.055 -3.268
45 2HG2 THR 7 2HG2 THR 7 -9.538 -1.948 -4.734
46 3HG2 THR 7 3HG2 THR 7 -10.738 -0.655 -4.819
47 H ASP 8 H ASP 8 -9.204 -4.452 -1.468
48 HA ASP 8 HA ASP 8 -9.825 -2.908 0.972
49 1HB ASP 8 1HB ASP 8 -8.673 -5.045 1.264
50 2HB ASP 8 2HB ASP 8 -7.424 -4.572 0.096
51 H ALA 9 H ALA 9 -8.035 -1.343 1.709
52 HA ALA 9 HA ALA 9 -7.733 0.839 -0.093
53 1HB ALA 9 1HB ALA 9 -7.303 1.132 2.318
54 2HB ALA 9 2HB ALA 9 -5.917 0.007 2.219
55 3HB ALA 9 3HB ALA 9 -5.856 1.555 1.377
56 H CYS 10 H CYS 10 -5.629 -2.006 0.529
57 HA CYS 10 HA CYS 10 -3.435 -0.895 -1.001
58 1HB CYS 10 1HB CYS 10 -2.303 -2.888 -0.619
59 2HB CYS 10 2HB CYS 10 -3.313 -2.630 0.792
60 H VAL 11 H VAL 11 -6.322 -2.616 -1.955
61 HA VAL 11 HA VAL 11 -5.332 -3.318 -4.630
62 HB VAL 11 HB VAL 11 -8.161 -3.237 -3.514
63 1HG1 VAL 11 1HG1 VAL 11 -8.803 -4.718 -5.312
64 2HG1 VAL 11 2HG1 VAL 11 -8.009 -3.320 -6.047
65 3HG1 VAL 11 3HG1 VAL 11 -7.133 -4.854 -5.881
66 1HG2 VAL 11 1HG2 VAL 11 -6.858 -4.816 -2.179
67 2HG2 VAL 11 2HG2 VAL 11 -7.946 -5.702 -3.250
68 3HG2 VAL 11 3HG2 VAL 11 -6.219 -5.574 -3.649
69 H LEU 12 H LEU 12 -6.953 -0.612 -2.994
70 HA LEU 12 HA LEU 12 -8.010 0.614 -5.316
71 1HB LEU 12 1HB LEU 12 -9.166 1.247 -3.738
72 2HB LEU 12 2HB LEU 12 -7.925 1.241 -2.461
73 HG LEU 12 HG LEU 12 -7.269 3.542 -3.348
74 1HD1 LEU 12 1HD1 LEU 12 -9.296 4.681 -4.601
75 2HD1 LEU 12 2HD1 LEU 12 -8.160 3.755 -5.560
76 3HD1 LEU 12 3HD1 LEU 12 -9.729 3.043 -5.107
77 1HD2 LEU 12 1HD2 LEU 12 -10.124 3.093 -2.380
78 2HD2 LEU 12 2HD2 LEU 12 -8.669 3.212 -1.374
79 3HD2 LEU 12 3HD2 LEU 12 -9.240 4.626 -2.281
80 HA PRO 13 HA PRO 13 -4.258 2.336 -7.003
81 1HB PRO 13 1HB PRO 13 -6.243 4.283 -8.141
82 2HB PRO 13 2HB PRO 13 -4.913 3.433 -8.974
83 1HG PRO 13 1HG PRO 13 -7.502 2.574 -9.231
84 2HG PRO 13 2HG PRO 13 -6.144 1.412 -9.110
85 1HD PRO 13 1HD PRO 13 -8.139 2.162 -6.963
86 2HD PRO 13 2HD PRO 13 -7.340 0.625 -7.278
87 H ALA 14 H ALA 14 -3.078 4.298 -6.894
88 HA ALA 14 HA ALA 14 -3.465 5.676 -4.330
89 1HB ALA 14 1HB ALA 14 -1.247 6.637 -4.773
90 2HB ALA 14 2HB ALA 14 -1.216 4.887 -5.047
91 3HB ALA 14 3HB ALA 14 -1.273 6.006 -6.434
92 H VAL 15 H VAL 15 -3.536 7.988 -4.108
93 HA VAL 15 HA VAL 15 -4.144 9.619 -6.489
94 HB VAL 15 HB VAL 15 -5.753 9.363 -3.950
95 1HG1 VAL 15 1HG1 VAL 15 -7.143 11.278 -4.639
96 2HG1 VAL 15 2HG1 VAL 15 -5.521 11.727 -4.151
97 3HG1 VAL 15 3HG1 VAL 15 -5.943 11.679 -5.890
98 1HG2 VAL 15 1HG2 VAL 15 -6.415 7.907 -5.898
99 2HG2 VAL 15 2HG2 VAL 15 -7.676 9.078 -5.486
100 3HG2 VAL 15 3HG2 VAL 15 -6.618 9.359 -6.887
101 H GLN 16 H GLN 16 -3.421 11.672 -6.193
102 HA GLN 16 HA GLN 16 -1.134 11.950 -4.347
103 1HB GLN 16 1HB GLN 16 -2.210 13.991 -6.353
104 2HB GLN 16 2HB GLN 16 -0.739 14.111 -5.391
105 1HG GLN 16 1HG GLN 16 -0.031 11.890 -6.579
106 2HG GLN 16 2HG GLN 16 -1.316 12.279 -7.732
107 1HE2 GLN 16 1HE2 GLN 16 1.791 13.293 -6.389
108 2HE2 GLN 16 2HE2 GLN 16 2.068 14.624 -7.525
109 H GLY 17 H GLY 17 -4.128 13.819 -5.035
110 1HA GLY 17 1HA GLY 17 -5.545 14.434 -3.081
111 2HA GLY 17 2HA GLY 17 -4.049 14.990 -2.305
112 HA PRO 18 HA PRO 18 -5.801 18.357 -5.062
113 1HB PRO 18 1HB PRO 18 -6.801 20.126 -3.220
114 2HB PRO 18 2HB PRO 18 -7.727 18.741 -3.868
115 1HG PRO 18 1HG PRO 18 -6.249 18.931 -1.239
116 2HG PRO 18 2HG PRO 18 -7.877 18.268 -1.551
117 1HD PRO 18 1HD PRO 18 -5.644 16.673 -1.344
118 2HD PRO 18 2HD PRO 18 -7.013 16.259 -2.402
119 H CYS 19 H CYS 19 -3.814 18.518 -2.082
120 HA CYS 19 HA CYS 19 -2.823 21.140 -2.673
121 1HB CYS 19 1HB CYS 19 -1.547 19.142 -0.807
122 2HB CYS 19 2HB CYS 19 -1.428 20.870 -0.724
123 H ARG 20 H ARG 20 -0.597 21.644 -2.779
124 HA ARG 20 HA ARG 20 0.930 20.007 -4.779
125 1HB ARG 20 1HB ARG 20 0.589 22.985 -4.511
126 2HB ARG 20 2HB ARG 20 2.021 22.312 -5.233
127 1HG ARG 20 1HG ARG 20 0.284 23.069 -6.849
128 2HG ARG 20 2HG ARG 20 0.868 21.440 -7.095
129 1HD ARG 20 1HD ARG 20 -1.800 22.040 -5.762
130 2HD ARG 20 2HD ARG 20 -1.584 21.841 -7.508
131 HE ARG 20 HE ARG 20 -0.613 19.708 -5.722
132 1HH1 ARG 20 2HH2 ARG 20 -3.239 20.615 -7.924
133 2HH1 ARG 20 1HH2 ARG 20 -3.949 19.036 -7.884
134 1HH2 ARG 20 2HH1 ARG 20 -1.633 17.865 -5.481
135 2HH2 ARG 20 1HH1 ARG 20 -3.031 17.390 -6.337
136 H GLY 21 H GLY 21 0.953 20.287 -1.716
137 1HA GLY 21 1HA GLY 21 3.852 20.795 -1.212
138 2HA GLY 21 2HA GLY 21 2.646 20.201 -0.012
139 H TRP 22 H TRP 22 5.188 18.536 -0.643
140 HA TRP 22 HA TRP 22 3.899 16.307 -2.001
141 1HB TRP 22 1HB TRP 22 6.571 17.559 -2.718
142 2HB TRP 22 2HB TRP 22 6.034 16.011 -3.288
143 HD1 TRP 22 HD TRP 22 6.762 18.854 -4.814
144 HE1 TRP 22 1HE TRP 22 5.234 19.671 -6.686
145 HE3 TRP 22 3HE TRP 22 2.572 16.091 -3.742
146 HZ2 TRP 22 2HZ TRP 22 2.596 19.099 -7.693
147 HZ3 TRP 22 3HZ TRP 22 0.598 16.203 -5.208
148 HH2 TRP 22 HH TRP 22 0.596 17.681 -7.214
149 H GLU 23 H GLU 23 4.278 14.647 -0.992
150 HA GLU 23 HA GLU 23 6.466 14.181 0.987
151 1HB GLU 23 1HB GLU 23 4.566 14.780 2.263
152 2HB GLU 23 2HB GLU 23 3.451 13.969 1.175
153 1HG GLU 23 1HG GLU 23 3.394 12.737 3.087
154 2HG GLU 23 2HG GLU 23 4.290 11.772 1.934
155 HA PRO 24 HA PRO 24 6.581 10.469 -1.873
156 1HB PRO 24 1HB PRO 24 8.748 9.247 -0.790
157 2HB PRO 24 2HB PRO 24 8.891 10.681 -1.852
158 1HG PRO 24 1HG PRO 24 8.972 10.592 1.178
159 2HG PRO 24 2HG PRO 24 10.077 11.455 0.065
160 1HD PRO 24 1HD PRO 24 7.993 12.688 1.314
161 2HD PRO 24 2HD PRO 24 8.490 13.151 -0.337
162 H ARG 25 H ARG 25 5.224 8.918 -1.619
163 HA ARG 25 HA ARG 25 5.133 7.390 0.918
164 1HB ARG 25 1HB ARG 25 2.732 8.397 -0.672
165 2HB ARG 25 2HB ARG 25 2.620 7.164 0.582
166 1HG ARG 25 1HG ARG 25 3.590 10.006 1.017
167 2HG ARG 25 2HG ARG 25 1.987 9.407 1.376
168 1HD ARG 25 1HD ARG 25 2.923 7.811 3.030
169 2HD ARG 25 2HD ARG 25 4.545 8.385 2.671
170 HE ARG 25 HE ARG 25 4.241 10.328 3.818
171 1HH1 ARG 25 2HH2 ARG 25 1.068 8.765 3.697
172 2HH1 ARG 25 1HH2 ARG 25 0.323 9.854 4.813
173 1HH2 ARG 25 2HH1 ARG 25 3.390 11.702 5.181
174 2HH2 ARG 25 1HH1 ARG 25 1.721 11.667 5.722
175 H TRP 26 H TRP 26 3.685 5.380 0.350
176 HA TRP 26 HA TRP 26 4.598 4.164 -2.191
177 1HB TRP 26 1HB TRP 26 4.912 3.240 0.689
178 2HB TRP 26 2HB TRP 26 4.855 2.087 -0.637
179 HD1 TRP 26 HD TRP 26 7.025 5.006 0.679
180 HE1 TRP 26 1HE TRP 26 9.375 4.791 -0.267
181 HE3 TRP 26 3HE TRP 26 6.248 0.993 -2.335
182 HZ2 TRP 26 2HZ TRP 26 10.736 3.132 -2.286
183 HZ3 TRP 26 3HZ TRP 26 7.944 0.394 -4.070
184 HH2 TRP 26 HH TRP 26 10.213 1.267 -3.907
185 H ALA 27 H ALA 27 3.057 2.686 -3.054
186 HA ALA 27 HA ALA 27 0.626 2.143 -1.507
187 1HB ALA 27 1HB ALA 27 -0.784 2.689 -3.533
188 2HB ALA 27 2HB ALA 27 -0.114 4.106 -2.727
189 3HB ALA 27 3HB ALA 27 0.618 3.499 -4.244
190 H TYR 28 H TYR 28 -0.383 0.269 -2.204
191 HA TYR 28 HA TYR 28 1.292 -1.583 -3.765
192 1HB TYR 28 1HB TYR 28 0.166 -2.269 -1.627
193 2HB TYR 28 2HB TYR 28 -1.375 -1.973 -2.374
194 HD1 TYR 28 1HD TYR 28 -2.182 -3.497 -4.275
195 HD2 TYR 28 2HD TYR 28 1.381 -4.338 -1.980
196 HE1 TYR 28 1HE TYR 28 -2.297 -5.847 -4.957
197 HE2 TYR 28 2HE TYR 28 1.329 -6.655 -2.762
198 HH TYR 28 HH TYR 28 -0.221 -8.257 -3.543
199 H SER 29 H SER 29 0.719 -2.408 -5.736
200 HA SER 29 HA SER 29 -1.686 -1.364 -7.113
201 1HB SER 29 1HB SER 29 1.194 -1.453 -7.968
202 2HB SER 29 2HB SER 29 -0.049 -1.417 -9.187
203 HG SER 29 HG SER 29 -0.624 0.201 -7.079
204 HA PRO 30 HA PRO 30 -2.049 -5.860 -7.120
205 1HB PRO 30 1HB PRO 30 -4.595 -6.059 -8.144
206 2HB PRO 30 2HB PRO 30 -4.259 -5.647 -6.432
207 1HG PRO 30 1HG PRO 30 -4.876 -3.778 -8.725
208 2HG PRO 30 2HG PRO 30 -5.560 -3.762 -7.074
209 1HD PRO 30 1HD PRO 30 -3.538 -2.118 -7.821
210 2HD PRO 30 2HD PRO 30 -3.623 -2.793 -6.168
211 H LEU 31 H LEU 31 -2.910 -3.681 -9.863
212 HA LEU 31 HA LEU 31 -2.539 -5.538 -11.949
213 1HB LEU 31 1HB LEU 31 -2.327 -2.550 -11.755
214 2HB LEU 31 2HB LEU 31 -1.884 -3.371 -13.248
215 HG LEU 31 HG LEU 31 -4.550 -3.828 -11.877
216 1HD1 LEU 31 1HD1 LEU 31 -3.817 -1.905 -14.132
217 2HD1 LEU 31 2HD1 LEU 31 -5.472 -2.260 -13.552
218 3HD1 LEU 31 3HD1 LEU 31 -4.327 -1.469 -12.471
219 1HD2 LEU 31 1HD2 LEU 31 -5.258 -4.585 -14.151
220 2HD2 LEU 31 2HD2 LEU 31 -3.586 -4.393 -14.726
221 3HD2 LEU 31 3HD2 LEU 31 -3.989 -5.606 -13.491
222 H LEU 32 H LEU 32 -0.157 -4.034 -9.907
223 HA LEU 32 HA LEU 32 2.070 -4.967 -11.670
224 1HB LEU 32 1HB LEU 32 1.772 -2.943 -9.444
225 2HB LEU 32 2HB LEU 32 3.346 -3.558 -9.809
226 HG LEU 32 HG LEU 32 1.592 -2.251 -11.924
227 1HD1 LEU 32 1HD1 LEU 32 3.026 -0.245 -11.609
228 2HD1 LEU 32 2HD1 LEU 32 2.067 -0.611 -10.175
229 3HD1 LEU 32 3HD1 LEU 32 3.800 -1.025 -10.209
230 1HD2 LEU 32 1HD2 LEU 32 4.587 -2.873 -11.854
231 2HD2 LEU 32 2HD2 LEU 32 3.370 -3.685 -12.862
232 3HD2 LEU 32 3HD2 LEU 32 3.741 -1.987 -13.145
233 H GLN 33 H GLN 33 0.107 -5.915 -9.131
234 HA GLN 33 HA GLN 33 0.159 -7.066 -7.275
235 1HB GLN 33 1HB GLN 33 0.367 -8.711 -9.238
236 2HB GLN 33 2HB GLN 33 2.053 -8.922 -8.768
237 1HG GLN 33 1HG GLN 33 0.360 -9.155 -6.411
238 2HG GLN 33 2HG GLN 33 -0.339 -10.133 -7.687
239 1HE2 GLN 33 1HE2 GLN 33 2.859 -9.476 -6.210
240 2HE2 GLN 33 2HE2 GLN 33 3.433 -11.130 -6.197
241 H GLN 34 H GLN 34 1.773 -4.883 -7.005
242 HA GLN 34 HA GLN 34 3.878 -5.728 -5.137
243 1HB GLN 34 1HB GLN 34 4.684 -5.920 -7.668
244 2HB GLN 34 2HB GLN 34 4.674 -4.139 -7.584
245 1HG GLN 34 1HG GLN 34 6.378 -4.212 -5.863
246 2HG GLN 34 2HG GLN 34 6.379 -5.989 -5.927
247 1HE2 GLN 34 1HE2 GLN 34 6.021 -5.819 -9.021
248 2HE2 GLN 34 2HE2 GLN 34 7.648 -5.430 -9.562
249 H CYS 35 H CYS 35 5.011 -3.742 -4.370
250 HA CYS 35 HA CYS 35 3.199 -1.354 -4.419
251 1HB CYS 35 1HB CYS 35 5.369 -2.109 -2.469
252 2HB CYS 35 2HB CYS 35 4.556 -0.552 -2.491
253 H HIS 36 H HIS 36 3.892 0.634 -4.756
254 HA HIS 36 HA HIS 36 6.647 1.054 -5.832
255 1HB HIS 36 1HB HIS 36 5.843 2.303 -7.756
256 2HB HIS 36 2HB HIS 36 5.204 0.669 -7.785
257 HD1 HIS 36 1HD HIS 36 4.006 4.264 -6.853
258 HD2 HIS 36 2HD HIS 36 2.515 0.426 -7.960
259 HE1 HIS 36 1HE HIS 36 1.449 4.469 -7.116
260 HE2 HIS 36 2HE HIS 36 0.620 2.072 -7.813
261 HA PRO 37 HA PRO 37 6.211 4.799 -3.413
262 1HB PRO 37 1HB PRO 37 8.058 6.443 -4.759
263 2HB PRO 37 2HB PRO 37 8.417 5.325 -3.426
264 1HG PRO 37 1HG PRO 37 9.163 5.069 -6.242
265 2HG PRO 37 2HG PRO 37 9.619 4.025 -4.863
266 1HD PRO 37 1HD PRO 37 7.579 3.584 -6.914
267 2HD PRO 37 2HD PRO 37 8.266 2.439 -5.731
268 H PHE 38 H PHE 38 5.619 7.260 -3.778
269 HA PHE 38 HA PHE 38 4.976 8.088 -6.414
270 1HB PHE 38 1HB PHE 38 2.632 8.263 -6.355
271 2HB PHE 38 2HB PHE 38 2.982 6.592 -6.028
272 HD1 PHE 38 1HD PHE 38 2.885 5.814 -3.477
273 HD2 PHE 38 2HD PHE 38 1.154 9.481 -4.987
274 HE1 PHE 38 1HE PHE 38 1.211 5.832 -1.632
275 HE2 PHE 38 2HE PHE 38 -0.472 9.461 -3.142
276 HZ PHE 38 HZ PHE 38 -0.462 7.619 -1.471
277 H VAL 39 H VAL 39 4.068 10.364 -6.295
278 HA VAL 39 HA VAL 39 5.078 11.692 -3.837
279 HB VAL 39 HB VAL 39 4.208 12.868 -6.521
280 1HG1 VAL 39 1HG1 VAL 39 5.286 14.921 -5.619
281 2HG1 VAL 39 2HG1 VAL 39 3.955 14.393 -4.580
282 3HG1 VAL 39 3HG1 VAL 39 5.626 14.050 -4.100
283 1HG2 VAL 39 1HG2 VAL 39 7.012 12.395 -5.400
284 2HG2 VAL 39 2HG2 VAL 39 6.306 11.601 -6.828
285 3HG2 VAL 39 3HG2 VAL 39 6.630 13.337 -6.855
286 H TYR 40 H TYR 40 3.571 11.889 -2.305
287 HA TYR 40 HA TYR 40 0.677 12.004 -2.941
288 1HB TYR 40 1HB TYR 40 1.205 10.245 -1.429
289 2HB TYR 40 2HB TYR 40 2.413 11.183 -0.614
290 HD1 TYR 40 1HD TYR 40 1.992 11.834 1.492
291 HD2 TYR 40 2HD TYR 40 -1.327 11.467 -1.240
292 HE1 TYR 40 1HE TYR 40 0.456 12.359 3.321
293 HE2 TYR 40 2HE TYR 40 -2.865 12.142 0.584
294 HH TYR 40 HH TYR 40 -2.852 13.144 2.782
295 H GLY 41 H GLY 41 -0.510 13.774 -1.804
296 1HA GLY 41 1HA GLY 41 1.079 16.205 -1.954
297 2HA GLY 41 2HA GLY 41 -0.645 16.094 -1.995
298 H GLY 42 H GLY 42 0.348 14.230 0.598
299 1HA GLY 42 1HA GLY 42 0.682 14.493 2.811
300 2HA GLY 42 2HA GLY 42 0.963 16.223 2.620
301 H CYS 43 H CYS 43 -1.595 16.796 1.379
302 HA CYS 43 HA CYS 43 -3.450 16.585 3.638
303 1HB CYS 43 1HB CYS 43 -4.673 18.280 2.582
304 2HB CYS 43 2HB CYS 43 -2.988 18.710 2.426
305 H GLU 44 H GLU 44 -5.878 16.387 2.379
306 HA GLU 44 HA GLU 44 -6.670 13.876 2.513
307 1HB GLU 44 1HB GLU 44 -7.691 15.654 0.295
308 2HB GLU 44 2HB GLU 44 -8.505 14.296 1.067
309 1HG GLU 44 1HG GLU 44 -9.460 16.063 2.149
310 2HG GLU 44 2HG GLU 44 -8.212 15.613 3.293
311 H GLY 45 H GLY 45 -6.586 11.908 1.413
312 1HA GLY 45 1HA GLY 45 -6.228 11.572 -1.365
313 2HA GLY 45 2HA GLY 45 -4.729 11.186 -0.511
314 H ASN 46 H ASN 46 -5.358 8.859 -1.279
315 HA ASN 46 HA ASN 46 -7.715 7.771 0.147
316 1HB ASN 46 1HB ASN 46 -5.886 6.126 -1.606
317 2HB ASN 46 2HB ASN 46 -7.523 5.787 -1.120
318 1HD2 ASN 46 1HD2 ASN 46 -6.974 5.510 -3.883
319 2HD2 ASN 46 2HD2 ASN 46 -7.783 6.854 -4.629
320 H GLY 47 H GLY 47 -7.283 5.414 0.852
321 1HA GLY 47 1HA GLY 47 -5.574 5.642 3.224
322 2HA GLY 47 2HA GLY 47 -6.712 4.339 2.864
323 H ASN 48 H ASN 48 -5.169 4.298 0.077
324 HA ASN 48 HA ASN 48 -3.228 2.216 0.801
325 1HB ASN 48 1HB ASN 48 -4.703 2.224 -1.233
326 2HB ASN 48 2HB ASN 48 -3.843 3.523 -1.900
327 1HD2 ASN 48 1HD2 ASN 48 -3.862 1.292 -3.362
328 2HD2 ASN 48 2HD2 ASN 48 -2.414 0.346 -3.349
329 H ASN 49 H ASN 49 -2.031 3.647 2.241
330 HA ASN 49 HA ASN 49 -0.098 5.378 0.797
331 1HB ASN 49 1HB ASN 49 -2.282 6.561 1.525
332 2HB ASN 49 2HB ASN 49 -1.766 6.298 3.188
333 1HD2 ASN 49 1HD2 ASN 49 -2.112 8.733 1.361
334 2HD2 ASN 49 2HD2 ASN 49 -0.622 9.635 1.503
335 H PHE 50 H PHE 50 1.740 4.467 1.405
336 HA PHE 50 HA PHE 50 2.250 3.643 4.223
337 1HB PHE 50 1HB PHE 50 3.106 2.467 1.546
338 2HB PHE 50 2HB PHE 50 3.785 1.909 3.013
339 HD1 PHE 50 1HD PHE 50 0.915 1.789 0.760
340 HD2 PHE 50 2HD PHE 50 2.149 0.879 4.800
341 HE1 PHE 50 1HE PHE 50 -1.129 0.440 1.088
342 HE2 PHE 50 2HE PHE 50 0.067 -0.418 5.123
343 HZ PHE 50 HZ PHE 50 -1.592 -0.621 3.271
344 H HIS 51 H HIS 51 4.589 3.843 4.846
345 HA HIS 51 HA HIS 51 5.856 6.195 3.483
346 1HB HIS 51 1HB HIS 51 6.219 5.031 6.247
347 2HB HIS 51 2HB HIS 51 7.460 6.015 5.510
348 HD1 HIS 51 1HD HIS 51 6.851 8.636 4.958
349 HD2 HIS 51 2HD HIS 51 4.148 6.378 7.328
350 HE1 HIS 51 1HE HIS 51 5.487 10.317 6.286
351 HE2 HIS 51 2HE HIS 51 3.786 8.954 7.686
352 H SER 52 H SER 52 6.102 2.716 3.446
353 HA SER 52 HA SER 52 8.750 3.019 2.211
354 1HB SER 52 1HB SER 52 9.489 1.048 3.764
355 2HB SER 52 2HB SER 52 9.549 2.704 4.374
356 HG SER 52 HG SER 52 8.445 0.843 5.664
357 H ARG 53 H ARG 53 9.457 1.133 1.204
358 HA ARG 53 HA ARG 53 7.523 -0.286 -0.380
359 1HB ARG 53 1HB ARG 53 9.829 0.161 -1.099
360 2HB ARG 53 2HB ARG 53 10.458 -0.793 0.239
361 1HG ARG 53 1HG ARG 53 10.509 -2.021 -1.796
362 2HG ARG 53 2HG ARG 53 9.438 -2.827 -0.660
363 1HD ARG 53 1HD ARG 53 7.517 -1.719 -1.971
364 2HD ARG 53 2HD ARG 53 8.706 -1.203 -3.124
365 HE ARG 53 HE ARG 53 8.277 -4.070 -2.366
366 1HH1 ARG 53 2HH2 ARG 53 8.162 -1.944 -5.146
367 2HH1 ARG 53 1HH2 ARG 53 8.810 -3.155 -6.207
368 1HH2 ARG 53 2HH1 ARG 53 8.498 -5.569 -3.768
369 2HH2 ARG 53 1HH1 ARG 53 8.923 -5.302 -5.458
370 H GLU 54 H GLU 54 9.547 -1.172 2.334
371 HA GLU 54 HA GLU 54 8.849 -3.769 2.959
372 1HB GLU 54 1HB GLU 54 10.681 -2.689 3.917
373 2HB GLU 54 2HB GLU 54 9.875 -1.216 4.208
374 1HG GLU 54 1HG GLU 54 8.778 -3.236 6.013
375 2HG GLU 54 2HG GLU 54 10.550 -3.275 6.054
376 H SER 55 H SER 55 7.599 -1.075 4.878
377 HA SER 55 HA SER 55 5.543 -2.473 5.928
378 1HB SER 55 1HB SER 55 4.332 -0.336 6.427
379 2HB SER 55 2HB SER 55 6.057 -0.272 6.806
380 HG SER 55 HG SER 55 6.429 1.038 5.167
381 H CYS 56 H CYS 56 5.342 -1.052 2.766
382 HA CYS 56 HA CYS 56 2.502 -1.457 2.469
383 1HB CYS 56 1HB CYS 56 4.253 0.071 1.153
384 2HB CYS 56 2HB CYS 56 4.752 -1.370 0.363
385 H GLU 57 H GLU 57 5.333 -3.314 1.419
386 HA GLU 57 HA GLU 57 3.568 -5.344 0.249
387 1HB GLU 57 1HB GLU 57 6.584 -5.352 0.624
388 2HB GLU 57 2HB GLU 57 5.633 -6.684 -0.087
389 1HG GLU 57 1HG GLU 57 4.538 -4.865 -1.593
390 2HG GLU 57 2HG GLU 57 5.855 -3.812 -1.077
391 H ASP 58 H ASP 58 5.073 -4.838 3.431
392 HA ASP 58 HA ASP 58 4.260 -7.455 4.366
393 1HB ASP 58 1HB ASP 58 6.079 -5.908 5.319
394 2HB ASP 58 2HB ASP 58 4.761 -4.993 6.060
395 H ALA 59 H ALA 59 2.561 -4.220 3.975
396 HA ALA 59 HA ALA 59 0.389 -5.029 5.673
397 1HB ALA 59 1HB ALA 59 0.531 -2.961 3.437
398 2HB ALA 59 2HB ALA 59 -0.798 -3.146 4.600
399 3HB ALA 59 3HB ALA 59 0.816 -2.684 5.175
400 H CYS 60 H CYS 60 0.941 -5.234 2.108
401 HA CYS 60 HA CYS 60 -1.218 -7.272 2.065
402 1HB CYS 60 1HB CYS 60 -0.857 -5.002 0.145
403 2HB CYS 60 2HB CYS 60 -1.541 -6.538 -0.372
404 HA PRO 61 HA PRO 61 2.491 -9.301 0.438
405 1HB PRO 61 1HB PRO 61 2.629 -11.382 2.181
406 2HB PRO 61 2HB PRO 61 3.215 -9.755 2.638
407 1HG PRO 61 1HG PRO 61 0.571 -11.048 3.336
408 2HG PRO 61 2HG PRO 61 1.678 -10.117 4.398
409 1HD PRO 61 1HD PRO 61 -0.558 -9.075 3.088
410 2HD PRO 61 2HD PRO 61 0.822 -8.092 3.620
411 H VAL 62 H VAL 62 2.371 -11.902 -0.090
412 HA VAL 62 HA VAL 62 -0.394 -12.759 -0.517
413 HB VAL 62 HB VAL 62 1.476 -13.077 -2.844
414 1HG1 VAL 62 1HG1 VAL 62 -0.680 -13.151 -4.137
415 2HG1 VAL 62 2HG1 VAL 62 -0.521 -14.435 -2.934
416 3HG1 VAL 62 3HG1 VAL 62 -1.541 -13.017 -2.603
417 1HG2 VAL 62 1HG2 VAL 62 -0.342 -10.646 -2.528
418 2HG2 VAL 62 2HG2 VAL 62 1.428 -10.610 -2.638
419 3HG2 VAL 62 3HG2 VAL 62 0.473 -11.116 -4.034
420 H VAL 63 H VAL 63 -0.245 -15.128 -1.220
421 HA VAL 63 HA VAL 63 1.408 -16.493 0.687
422 HB VAL 63 HB VAL 63 0.338 -17.924 -1.725
423 1HG1 VAL 63 1HG1 VAL 63 0.506 -18.708 1.204
424 2HG1 VAL 63 2HG1 VAL 63 -0.056 -19.744 -0.124
425 3HG1 VAL 63 3HG1 VAL 63 1.630 -19.204 -0.083
426 1HG2 VAL 63 1HG2 VAL 63 -1.879 -18.227 -0.561
427 2HG2 VAL 63 2HG2 VAL 63 -1.391 -16.996 0.622
428 3HG2 VAL 63 3HG2 VAL 63 -1.618 -16.570 -1.088
429 H ASP 64 H ASP 64 3.333 -17.411 0.429
430 HA ASP 64 HA ASP 64 5.237 -16.243 -1.222
431 1HB ASP 64 1HB ASP 64 6.112 -17.281 0.679
432 2HB ASP 64 2HB ASP 64 5.337 -18.834 0.321
433 H HIS 65 H HIS 65 5.428 -16.272 -3.372
434 HA HIS 65 HA HIS 65 4.232 -18.285 -4.990
435 1HB HIS 65 1HB HIS 65 6.081 -15.956 -5.628
436 2HB HIS 65 2HB HIS 65 5.397 -17.022 -6.841
437 HD1 HIS 65 1HD HIS 65 2.919 -16.006 -4.054
438 HD2 HIS 65 2HD HIS 65 4.214 -14.786 -7.922
439 HE1 HIS 65 1HE HIS 65 1.204 -14.341 -4.942
440 HE2 HIS 65 2HE HIS 65 1.988 -13.565 -7.223
441 H HIS 66 H HIS 66 7.344 -18.266 -3.389
442 HA HIS 66 HA HIS 66 8.720 -19.842 -5.442
443 1HB HIS 66 1HB HIS 66 9.300 -19.730 -2.451
444 2HB HIS 66 2HB HIS 66 10.351 -20.368 -3.691
445 HD1 HIS 66 1HD HIS 66 9.190 -17.118 -2.154
446 HD2 HIS 66 2HD HIS 66 11.844 -18.544 -5.121
447 HE1 HIS 66 1HE HIS 66 10.805 -15.155 -2.714
448 HE2 HIS 66 2HE HIS 66 12.398 -16.040 -4.544
449 H HIS 67 H HIS 67 8.961 -22.239 -5.249
450 HA HIS 67 HA HIS 67 6.400 -23.412 -4.370
451 1HB HIS 67 1HB HIS 67 8.787 -24.647 -5.789
452 2HB HIS 67 2HB HIS 67 7.300 -25.488 -5.378
453 HD1 HIS 67 1HD HIS 67 7.615 -25.692 -8.282
454 HD2 HIS 67 2HD HIS 67 6.045 -22.181 -6.488
455 HE1 HIS 67 1HE HIS 67 6.297 -24.440 -10.105
456 HE2 HIS 67 2HE HIS 67 5.357 -22.311 -8.991
457 H HIS 68 H HIS 68 6.870 -22.763 -2.116
458 HA HIS 68 HA HIS 68 8.817 -24.200 -0.531
459 1HB HIS 68 1HB HIS 68 7.334 -23.473 1.386
460 2HB HIS 68 2HB HIS 68 7.893 -22.161 0.358
461 HD1 HIS 68 1HD HIS 68 6.071 -20.801 -1.017
462 HD2 HIS 68 2HD HIS 68 4.635 -23.972 1.404
463 HE1 HIS 68 1HE HIS 68 3.512 -20.598 -0.969
464 HE2 HIS 68 2HE HIS 68 2.649 -22.507 0.552
465 H HIS 69 H HIS 69 8.309 -25.947 1.000
466 HA HIS 69 HA HIS 69 6.676 -28.048 -0.195
467 1HB HIS 69 1HB HIS 69 7.306 -29.361 1.774
468 2HB HIS 69 2HB HIS 69 8.728 -28.610 1.077
469 HD1 HIS 69 1HD HIS 69 6.355 -28.216 4.154
470 HD2 HIS 69 2HD HIS 69 10.246 -27.214 2.769
471 HE1 HIS 69 1HE HIS 69 7.590 -27.208 6.132
472 HE2 HIS 69 2HE HIS 69 9.965 -26.601 5.314
473 H HIS 70 H HIS 70 4.833 -29.075 1.088
474 HA HIS 70 HA HIS 70 2.953 -27.015 2.013
475 1HB HIS 70 1HB HIS 70 2.160 -29.089 0.817
476 2HB HIS 70 2HB HIS 70 2.812 -30.069 2.138
477 HD1 HIS 70 1HD HIS 70 1.584 -27.980 4.429
478 HD2 HIS 70 2HD HIS 70 -0.351 -30.039 1.281
479 HE1 HIS 70 1HE HIS 70 -0.905 -28.256 5.137
480 HE2 HIS 70 2HE HIS 70 -2.070 -29.506 3.190