Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
514548 | 2l9f RC | 17355 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 H MET 1 -12.098 -4.316 -20.407
2 HA MET 1 HA MET 1 -14.231 -3.918 -21.538
3 HB3 MET 1 2HB MET 1 -13.344 -6.049 -22.087
4 HG3 MET 1 2HG MET 1 -14.208 -6.876 -19.346
5 HE1 MET 1 3HE MET 1 -13.901 -8.573 -23.158
6 HE2 MET 1 1HE MET 1 -12.389 -8.189 -22.334
7 HE3 MET 1 2HE MET 1 -12.893 -9.869 -22.514
8 H ALA 2 H ALA 2 -14.374 -4.975 -18.224
9 HA ALA 2 HA ALA 2 -17.287 -4.564 -18.201
10 HB1 ALA 2 1HB ALA 2 -15.917 -5.726 -15.844
11 HB2 ALA 2 2HB ALA 2 -17.487 -6.112 -16.550
12 HB3 ALA 2 3HB ALA 2 -16.010 -6.717 -17.300
13 H ARG 3 H ARG 3 -14.254 -3.538 -16.777
14 HA ARG 3 HA ARG 3 -15.704 -1.379 -15.391
15 HB3 ARG 3 2HB ARG 3 -14.859 -2.756 -13.665
16 HG3 ARG 3 2HG ARG 3 -12.141 -2.935 -13.802
17 HD3 ARG 3 2HD ARG 3 -14.424 -4.747 -14.165
18 HE ARG 3 HE ARG 3 -13.324 -6.027 -15.708
19 HH11 ARG 3 1HH1 ARG 3 -11.028 -4.836 -13.378
20 HH12 ARG 3 2HH1 ARG 3 -9.718 -5.793 -13.986
21 HH21 ARG 3 1HH2 ARG 3 -11.607 -7.292 -16.516
22 HH22 ARG 3 2HH2 ARG 3 -10.047 -7.188 -15.772
23 H ALA 4 H ALA 4 -14.298 0.560 -14.978
24 HA ALA 4 HA ALA 4 -12.962 1.269 -17.451
25 HB1 ALA 4 1HB ALA 4 -13.372 3.020 -15.038
26 HB2 ALA 4 2HB ALA 4 -13.068 3.518 -16.703
27 HB3 ALA 4 3HB ALA 4 -14.606 2.766 -16.274
28 H ASP 5 H ASP 5 -12.147 0.615 -14.115
29 HA ASP 5 HA ASP 5 -9.577 1.714 -14.033
30 HB3 ASP 5 2HB ASP 5 -9.187 0.310 -12.119
31 H ASP 6 H ASP 6 -10.380 -1.739 -14.438
32 HA ASP 6 HA ASP 6 -9.341 -3.420 -15.564
33 HB3 ASP 6 2HB ASP 6 -8.134 -1.207 -17.236
34 H THR 7 H THR 7 -7.177 -4.366 -16.082
35 HA THR 7 HA THR 7 -5.463 -4.310 -13.955
36 HB THR 7 HB THR 7 -3.831 -4.810 -16.224
37 HG1 THR 7 1HG THR 7 -6.306 -6.175 -16.455
38 HG21 THR 7 3HG2 THR 7 -3.462 -6.746 -15.132
39 HG22 THR 7 1HG2 THR 7 -5.183 -7.101 -14.975
40 HG23 THR 7 2HG2 THR 7 -4.403 -5.997 -13.842
41 H ALA 8 H ALA 8 -3.354 -3.442 -13.610
42 HA ALA 8 HA ALA 8 -1.790 -1.790 -13.529
43 HB1 ALA 8 1HB ALA 8 -2.611 -0.985 -16.305
44 HB2 ALA 8 2HB ALA 8 -1.032 -0.822 -15.533
45 HB3 ALA 8 3HB ALA 8 -1.632 -2.417 -15.988
46 H LEU 9 H LEU 9 -1.703 0.786 -14.458
47 HA LEU 9 HA LEU 9 -3.488 2.107 -12.714
48 HB3 LEU 9 2HB LEU 9 -1.445 3.174 -13.064
49 HG LEU 9 HG LEU 9 -1.532 2.265 -15.735
50 HD11 LEU 9 1HD1 LEU 9 -1.840 5.197 -15.465
51 HD12 LEU 9 2HD1 LEU 9 -2.326 4.117 -16.772
52 HD13 LEU 9 3HD1 LEU 9 -0.641 4.612 -16.619
53 HD21 LEU 9 3HD2 LEU 9 0.792 2.987 -15.740
54 HD22 LEU 9 1HD2 LEU 9 0.387 2.206 -14.212
55 HD23 LEU 9 2HD2 LEU 9 0.507 3.963 -14.299
56 HA PRO 10 HA PRO 10 -7.068 2.666 -15.206
57 HB3 PRO 10 2HB PRO 10 -8.127 3.337 -13.281
58 HG3 PRO 10 2HG PRO 10 -6.998 4.555 -11.654
59 HD3 PRO 10 2HD PRO 10 -5.502 2.830 -11.968
60 H ALA 11 H ALA 11 -5.303 5.701 -14.558
61 HA ALA 11 HA ALA 11 -5.524 6.345 -17.418
62 HB1 ALA 11 1HB ALA 11 -6.240 8.082 -15.085
63 HB2 ALA 11 2HB ALA 11 -5.735 8.787 -16.622
64 HB3 ALA 11 3HB ALA 11 -7.161 7.751 -16.553
65 H ALA 12 H ALA 12 -4.182 8.295 -14.805
66 HA ALA 12 HA ALA 12 -1.642 8.417 -16.198
67 HB1 ALA 12 1HB ALA 12 -1.931 10.505 -15.429
68 HB2 ALA 12 2HB ALA 12 -3.006 9.988 -14.129
69 HB3 ALA 12 3HB ALA 12 -1.258 9.860 -13.932
70 H THR 13 H THR 13 -2.717 7.575 -12.903
71 HA THR 13 HA THR 13 -0.666 5.514 -12.774
72 HB THR 13 HB THR 13 -0.757 7.222 -10.357
73 HG1 THR 13 1HG THR 13 -0.338 8.946 -11.540
74 HG21 THR 13 3HG2 THR 13 0.646 5.209 -10.514
75 HG22 THR 13 1HG2 THR 13 1.617 6.664 -10.289
76 HG23 THR 13 2HG2 THR 13 1.500 5.918 -11.883
77 H GLY 14 H GLY 14 -3.178 7.244 -10.930
78 HA2 GLY 14 2HA GLY 14 -4.941 6.447 -9.692
79 HA3 GLY 14 3HA GLY 14 -4.722 4.908 -10.512
80 H ALA 15 H ALA 15 -4.708 6.376 -7.565
81 HA ALA 15 HA ALA 15 -2.564 5.385 -6.150
82 HB1 ALA 15 1HB ALA 15 -3.848 5.660 -4.183
83 HB2 ALA 15 2HB ALA 15 -4.403 6.895 -5.313
84 HB3 ALA 15 3HB ALA 15 -5.365 5.440 -5.055
85 H LEU 16 H LEU 16 -5.403 3.691 -7.299
86 HA LEU 16 HA LEU 16 -5.248 1.379 -5.743
87 HB3 LEU 16 2HB LEU 16 -6.005 1.050 -8.578
88 HG LEU 16 HG LEU 16 -8.039 0.072 -7.736
89 HD11 LEU 16 1HD1 LEU 16 -5.539 -0.989 -7.429
90 HD12 LEU 16 2HD1 LEU 16 -7.054 -1.869 -7.235
91 HD13 LEU 16 3HD1 LEU 16 -6.236 -1.199 -5.823
92 HD21 LEU 16 3HD2 LEU 16 -7.067 1.021 -5.047
93 HD22 LEU 16 1HD2 LEU 16 -8.367 -0.151 -5.267
94 HD23 LEU 16 2HD2 LEU 16 -8.546 1.490 -5.886
95 H GLU 17 H GLU 17 -3.647 2.205 -8.790
96 HA GLU 17 HA GLU 17 -2.388 -0.323 -9.121
97 HB3 GLU 17 2HB GLU 17 -2.657 2.022 -10.629
98 HG3 GLU 17 2HG GLU 17 -0.431 2.681 -9.602
99 H LEU 18 H LEU 18 -1.517 2.652 -7.493
100 HA LEU 18 HA LEU 18 1.221 2.187 -7.132
101 HB3 LEU 18 2HB LEU 18 -0.400 3.512 -5.006
102 HG LEU 18 HG LEU 18 2.294 3.968 -6.190
103 HD11 LEU 18 1HD1 LEU 18 0.468 6.049 -6.098
104 HD12 LEU 18 2HD1 LEU 18 2.224 6.191 -6.169
105 HD13 LEU 18 3HD1 LEU 18 1.399 6.222 -4.611
106 HD21 LEU 18 3HD2 LEU 18 1.541 2.885 -3.887
107 HD22 LEU 18 1HD2 LEU 18 1.535 4.577 -3.387
108 HD23 LEU 18 2HD2 LEU 18 3.009 3.854 -4.032
109 H VAL 19 H VAL 19 -1.499 1.476 -4.941
110 HA VAL 19 HA VAL 19 0.038 0.185 -2.968
111 HB VAL 19 HB VAL 19 -2.860 0.299 -3.630
112 HG11 VAL 19 1HG1 VAL 19 -3.304 -1.300 -1.736
113 HG12 VAL 19 2HG1 VAL 19 -2.698 -2.034 -3.221
114 HG13 VAL 19 3HG1 VAL 19 -1.613 -1.786 -1.852
115 HG21 VAL 19 3HG2 VAL 19 -2.659 1.871 -2.065
116 HG22 VAL 19 1HG2 VAL 19 -2.427 0.571 -0.896
117 HG23 VAL 19 2HG2 VAL 19 -1.029 1.340 -1.649
118 H ARG 20 H ARG 20 -1.985 -1.189 -5.562
119 HA ARG 20 HA ARG 20 -1.436 -3.874 -5.085
120 HB3 ARG 20 2HB ARG 20 -1.855 -4.044 -7.661
121 HG3 ARG 20 2HG ARG 20 -3.901 -2.957 -5.746
122 HD3 ARG 20 2HD ARG 20 -4.486 -2.540 -8.146
123 HE ARG 20 HE ARG 20 -3.859 -5.319 -8.445
124 HH11 ARG 20 1HH1 ARG 20 -5.853 -2.720 -9.621
125 HH12 ARG 20 2HH1 ARG 20 -6.077 -3.426 -11.188
126 HH21 ARG 20 1HH2 ARG 20 -4.146 -6.260 -10.503
127 HH22 ARG 20 2HH2 ARG 20 -5.107 -5.440 -11.687
128 H HIS 21 H HIS 21 0.343 -1.497 -6.996
129 HA HIS 21 HA HIS 21 2.195 -3.271 -8.157
130 HB3 HIS 21 2HB HIS 21 2.595 -0.354 -7.459
131 HD1 HIS 21 1HD HIS 21 4.023 -3.294 -9.276
132 HD2 HIS 21 2HD HIS 21 4.711 0.785 -8.889
133 HE1 HIS 21 1HE HIS 21 6.275 -2.891 -10.319
134 H LEU 22 H LEU 22 2.556 -1.138 -5.321
135 HA LEU 22 HA LEU 22 5.093 -1.993 -4.554
136 HB3 LEU 22 2HB LEU 22 4.434 -1.196 -2.275
137 HG LEU 22 HG LEU 22 3.590 0.757 -4.413
138 HD11 LEU 22 1HD1 LEU 22 3.638 2.375 -2.850
139 HD12 LEU 22 2HD1 LEU 22 4.963 1.628 -1.959
140 HD13 LEU 22 3HD1 LEU 22 3.315 1.036 -1.747
141 HD21 LEU 22 3HD2 LEU 22 6.205 1.277 -3.555
142 HD22 LEU 22 1HD2 LEU 22 5.686 0.706 -5.141
143 HD23 LEU 22 2HD2 LEU 22 6.140 -0.454 -3.892
144 H VAL 23 H VAL 23 1.920 -3.342 -3.854
145 HA VAL 23 HA VAL 23 2.828 -5.237 -1.929
146 HB VAL 23 HB VAL 23 0.307 -5.221 -3.596
147 HG11 VAL 23 1HG1 VAL 23 0.456 -6.672 -1.019
148 HG12 VAL 23 2HG1 VAL 23 -0.460 -7.043 -2.481
149 HG13 VAL 23 3HG1 VAL 23 1.265 -7.408 -2.402
150 HG21 VAL 23 3HG2 VAL 23 -0.730 -4.042 -1.919
151 HG22 VAL 23 1HG2 VAL 23 0.411 -4.579 -0.687
152 HG23 VAL 23 2HG2 VAL 23 0.888 -3.346 -1.854
153 H ALA 24 H ALA 24 1.984 -5.471 -5.376
154 HA ALA 24 HA ALA 24 2.445 -8.201 -5.707
155 HB1 ALA 24 1HB ALA 24 2.914 -7.539 -8.130
156 HB2 ALA 24 2HB ALA 24 1.340 -7.111 -7.459
157 HB3 ALA 24 3HB ALA 24 2.597 -5.883 -7.608
158 H GLU 25 H GLU 25 4.676 -5.471 -6.208
159 HA GLU 25 HA GLU 25 6.899 -7.034 -6.945
160 HB3 GLU 25 2HB GLU 25 8.231 -5.021 -6.450
161 HG3 GLU 25 2HG GLU 25 6.005 -3.587 -7.587
162 H ARG 26 H ARG 26 5.591 -6.105 -3.845
163 HA ARG 26 HA ARG 26 7.912 -6.909 -2.350
164 HB3 ARG 26 2HB ARG 26 6.136 -6.765 -0.425
165 HG3 ARG 26 2HG ARG 26 6.116 -4.093 -1.037
166 HD3 ARG 26 2HD ARG 26 7.179 -5.661 0.878
167 HE ARG 26 HE ARG 26 9.325 -6.132 0.219
168 HH11 ARG 26 1HH1 ARG 26 8.610 -2.794 -0.462
169 HH12 ARG 26 2HH1 ARG 26 10.245 -2.391 -0.870
170 HH21 ARG 26 1HH2 ARG 26 11.481 -5.614 -0.314
171 HH22 ARG 26 2HH2 ARG 26 11.878 -3.997 -0.786
172 H ALA 27 H ALA 27 5.260 -8.502 -3.758
173 HA ALA 27 HA ALA 27 5.435 -10.788 -1.942
174 HB1 ALA 27 1HB ALA 27 3.627 -11.377 -3.997
175 HB2 ALA 27 2HB ALA 27 3.254 -10.898 -2.341
176 HB3 ALA 27 3HB ALA 27 3.375 -9.675 -3.606
177 H GLU 28 H GLU 28 7.224 -9.764 -4.393
178 HA GLU 28 HA GLU 28 8.738 -10.782 -5.757
179 HB3 GLU 28 2HB GLU 28 7.892 -13.546 -5.155
180 HG3 GLU 28 2HG GLU 28 10.125 -12.598 -6.188
181 H LEU 29 H LEU 29 6.120 -10.091 -6.661
182 HA LEU 29 HA LEU 29 6.026 -11.757 -9.042
183 HB3 LEU 29 2HB LEU 29 4.313 -12.940 -8.216
184 HG LEU 29 HG LEU 29 4.401 -11.151 -6.009
185 HD11 LEU 29 1HD1 LEU 29 2.457 -10.025 -6.531
186 HD12 LEU 29 2HD1 LEU 29 1.852 -11.360 -5.550
187 HD13 LEU 29 3HD1 LEU 29 1.725 -11.429 -7.308
188 HD21 LEU 29 3HD2 LEU 29 3.100 -13.821 -6.509
189 HD22 LEU 29 1HD2 LEU 29 3.176 -13.053 -4.924
190 HD23 LEU 29 2HD2 LEU 29 4.664 -13.503 -5.757
191 HA PRO 30 HA PRO 30 5.139 -7.998 -11.123
192 HB3 PRO 30 2HB PRO 30 5.134 -9.189 -13.088
193 HG3 PRO 30 2HG PRO 30 4.212 -11.321 -13.196
194 HD3 PRO 30 2HD PRO 30 5.565 -11.567 -11.347
195 H VAL 31 H VAL 31 3.494 -6.413 -11.641
196 HA VAL 31 HA VAL 31 1.361 -6.410 -9.693
197 HB VAL 31 HB VAL 31 2.644 -4.362 -10.106
198 HG11 VAL 31 1HG1 VAL 31 2.661 -5.004 -12.694
199 HG12 VAL 31 2HG1 VAL 31 1.306 -3.875 -12.703
200 HG13 VAL 31 3HG1 VAL 31 2.888 -3.351 -12.124
201 HG21 VAL 31 3HG2 VAL 31 0.863 -3.115 -9.582
202 HG22 VAL 31 1HG2 VAL 31 0.076 -3.440 -11.126
203 HG23 VAL 31 2HG2 VAL 31 -0.083 -4.587 -9.796
204 H GLU 32 H GLU 32 1.709 -7.370 -12.920
205 HA GLU 32 HA GLU 32 -0.994 -6.798 -13.746
206 HB3 GLU 32 2HB GLU 32 1.021 -6.932 -15.288
207 HG3 GLU 32 2HG GLU 32 1.218 -9.536 -14.256
208 H VAL 33 H VAL 33 0.612 -9.288 -12.037
209 HA VAL 33 HA VAL 33 -1.578 -11.185 -12.515
210 HB VAL 33 HB VAL 33 0.930 -11.832 -12.669
211 HG11 VAL 33 1HG1 VAL 33 0.618 -12.231 -9.711
212 HG12 VAL 33 2HG1 VAL 33 2.078 -12.341 -10.696
213 HG13 VAL 33 3HG1 VAL 33 1.346 -10.768 -10.374
214 HG21 VAL 33 3HG2 VAL 33 -0.348 -13.780 -10.893
215 HG22 VAL 33 1HG2 VAL 33 -1.359 -13.246 -12.235
216 HG23 VAL 33 2HG2 VAL 33 0.222 -13.959 -12.552
217 H LEU 34 H LEU 34 -0.737 -8.789 -10.391
218 HA LEU 34 HA LEU 34 -1.387 -9.971 -7.895
219 HB3 LEU 34 2HB LEU 34 -1.866 -7.077 -8.353
220 HG LEU 34 HG LEU 34 -0.384 -6.817 -6.362
221 HD11 LEU 34 1HD1 LEU 34 -2.063 -7.821 -4.759
222 HD12 LEU 34 2HD1 LEU 34 -2.896 -8.456 -6.176
223 HD13 LEU 34 3HD1 LEU 34 -2.707 -6.715 -5.972
224 HD21 LEU 34 3HD2 LEU 34 0.436 -8.611 -5.163
225 HD22 LEU 34 1HD2 LEU 34 0.653 -9.157 -6.825
226 HD23 LEU 34 2HD2 LEU 34 -0.709 -9.747 -5.874
227 H ARG 35 H ARG 35 -3.305 -10.659 -7.242
228 HA ARG 35 HA ARG 35 -5.708 -9.929 -8.656
229 HB3 ARG 35 2HB ARG 35 -6.765 -11.653 -7.485
230 HG3 ARG 35 2HG ARG 35 -3.898 -12.555 -7.371
231 HD3 ARG 35 2HD ARG 35 -5.985 -13.906 -6.461
232 HE ARG 35 HE ARG 35 -6.600 -13.871 -9.189
233 HH11 ARG 35 1HH1 ARG 35 -6.229 -16.151 -6.585
234 HH12 ARG 35 2HH1 ARG 35 -7.355 -17.289 -7.247
235 HH21 ARG 35 1HH2 ARG 35 -8.084 -15.361 -10.071
236 HH22 ARG 35 2HH2 ARG 35 -8.408 -16.840 -9.231
237 H ASP 36 H ASP 36 -7.514 -8.881 -7.791
238 HA ASP 36 HA ASP 36 -6.918 -6.761 -5.975
239 HB3 ASP 36 2HB ASP 36 -9.014 -5.900 -6.508
240 H ASP 37 H ASP 37 -8.191 -9.941 -5.644
241 HA ASP 37 HA ASP 37 -9.154 -9.360 -2.931
242 HB3 ASP 37 2HB ASP 37 -10.308 -11.494 -3.031
243 H SER 38 H SER 38 -6.302 -9.776 -3.992
244 HA SER 38 HA SER 38 -5.428 -12.186 -2.677
245 HB3 SER 38 2HB SER 38 -4.335 -11.179 -4.730
246 HG SER 38 HG SER 38 -3.907 -9.125 -4.432
247 H ARG 39 H ARG 39 -5.379 -12.296 -0.535
248 HA ARG 39 HA ARG 39 -5.281 -10.028 1.167
249 HB3 ARG 39 2HB ARG 39 -5.259 -11.586 2.984
250 HG3 ARG 39 2HG ARG 39 -6.720 -13.343 1.132
251 HD3 ARG 39 2HD ARG 39 -6.785 -12.819 3.810
252 HE ARG 39 HE ARG 39 -8.231 -10.721 2.902
253 HH11 ARG 39 1HH1 ARG 39 -9.053 -13.630 4.630
254 HH12 ARG 39 2HH1 ARG 39 -10.389 -12.910 5.467
255 HH21 ARG 39 1HH2 ARG 39 -9.986 -9.762 3.998
256 HH22 ARG 39 2HH2 ARG 39 -10.918 -10.711 5.106
257 H PHE 40 H PHE 40 -3.630 -9.533 2.743
258 HA PHE 40 HA PHE 40 -0.995 -9.612 1.568
259 HB3 PHE 40 2HB PHE 40 -0.358 -8.090 3.343
260 HD1 PHE 40 1HD PHE 40 -0.633 -7.091 0.966
261 HD2 PHE 40 2HD PHE 40 -3.675 -7.051 3.942
262 HE1 PHE 40 1HE PHE 40 -1.738 -5.223 -0.194
263 HE2 PHE 40 2HE PHE 40 -4.786 -5.185 2.786
264 HZ PHE 40 HZ PHE 40 -3.819 -4.268 0.715
265 H LEU 41 H LEU 41 -2.262 -12.093 2.638
266 HA LEU 41 HA LEU 41 0.067 -13.112 3.976
267 HB3 LEU 41 2HB LEU 41 -1.462 -14.060 5.850
268 HG LEU 41 HG LEU 41 -0.798 -11.124 6.038
269 HD11 LEU 41 1HD1 LEU 41 -0.395 -12.119 8.486
270 HD12 LEU 41 2HD1 LEU 41 -1.675 -13.204 7.945
271 HD13 LEU 41 3HD1 LEU 41 -1.944 -11.461 7.957
272 HD21 LEU 41 3HD2 LEU 41 1.334 -11.886 7.015
273 HD22 LEU 41 1HD2 LEU 41 1.165 -12.342 5.320
274 HD23 LEU 41 2HD2 LEU 41 0.917 -13.546 6.584
275 H ASP 42 H ASP 42 -3.306 -13.672 3.062
276 HA ASP 42 HA ASP 42 -3.213 -16.476 3.001
277 HB3 ASP 42 2HB ASP 42 -4.910 -14.970 1.051
278 H ASP 43 H ASP 43 -2.576 -14.068 0.481
279 HA ASP 43 HA ASP 43 -1.364 -16.212 -1.138
280 HB3 ASP 43 2HB ASP 43 -1.932 -14.107 -2.880
281 H LEU 44 H LEU 44 -1.314 -12.654 -0.832
282 HA LEU 44 HA LEU 44 1.204 -12.239 -1.923
283 HB3 LEU 44 2HB LEU 44 1.171 -10.086 -0.893
284 HG LEU 44 HG LEU 44 -1.632 -10.944 -1.574
285 HD11 LEU 44 1HD1 LEU 44 -1.803 -8.310 -1.794
286 HD12 LEU 44 2HD1 LEU 44 -0.622 -8.376 -0.486
287 HD13 LEU 44 3HD1 LEU 44 -2.194 -9.151 -0.294
288 HD21 LEU 44 3HD2 LEU 44 0.221 -10.837 -3.317
289 HD22 LEU 44 1HD2 LEU 44 0.198 -9.090 -3.068
290 HD23 LEU 44 2HD2 LEU 44 -1.247 -9.916 -3.650
291 H HIS 45 H HIS 45 0.310 -13.448 1.192
292 HA HIS 45 HA HIS 45 1.503 -14.069 3.034
293 HB3 HIS 45 2HB HIS 45 3.866 -14.979 2.389
294 HD1 HIS 45 1HD HIS 45 2.231 -16.651 -0.303
295 HD2 HIS 45 2HD HIS 45 1.850 -16.696 3.834
296 HE1 HIS 45 1HE HIS 45 1.029 -18.793 0.238
297 H MET 46 H MET 46 1.432 -11.655 3.503
298 HA MET 46 HA MET 46 4.191 -10.661 3.775
299 HB3 MET 46 2HB MET 46 3.452 -8.417 3.445
300 HG3 MET 46 2HG MET 46 1.772 -9.026 1.305
301 HE1 MET 46 3HE MET 46 2.085 -7.187 0.128
302 HE2 MET 46 1HE MET 46 3.563 -6.528 -0.575
303 HE3 MET 46 2HE MET 46 2.886 -8.032 -1.198
304 H SER 47 H SER 47 4.685 -11.051 5.848
305 HA SER 47 HA SER 47 2.919 -11.248 7.987
306 HB3 SER 47 2HB SER 47 4.874 -11.067 9.433
307 HG SER 47 HG SER 47 6.222 -12.328 7.480
308 H SER 48 H SER 48 2.643 -9.828 9.836
309 HA SER 48 HA SER 48 1.608 -7.364 9.248
310 HB3 SER 48 2HB SER 48 1.186 -8.460 11.379
311 HG SER 48 HG SER 48 3.226 -7.857 12.860
312 H ILE 49 H ILE 49 4.928 -8.144 10.148
313 HA ILE 49 HA ILE 49 5.799 -5.424 10.271
314 HB ILE 49 HB ILE 49 7.422 -7.954 9.969
315 HG13 ILE 49 2HG1 ILE 49 7.842 -7.624 12.410
316 HG21 ILE 49 1HG2 ILE 49 8.308 -5.197 10.808
317 HG22 ILE 49 2HG2 ILE 49 9.320 -6.636 10.687
318 HG23 ILE 49 3HG2 ILE 49 8.615 -5.929 9.234
319 HD11 ILE 49 3HD1 ILE 49 6.693 -5.143 12.073
320 HD12 ILE 49 1HD1 ILE 49 5.440 -6.080 12.887
321 HD13 ILE 49 2HD1 ILE 49 7.043 -5.938 13.608
322 H THR 50 H THR 50 5.838 -7.951 7.812
323 HA THR 50 HA THR 50 7.457 -6.594 5.938
324 HB THR 50 HB THR 50 5.346 -8.710 5.479
325 HG1 THR 50 1HG THR 50 6.860 -10.035 6.117
326 HG21 THR 50 3HG2 THR 50 6.004 -7.280 3.473
327 HG22 THR 50 1HG2 THR 50 6.208 -9.022 3.305
328 HG23 THR 50 2HG2 THR 50 7.608 -7.998 3.626
329 H VAL 51 H VAL 51 3.950 -6.717 6.414
330 HA VAL 51 HA VAL 51 3.167 -5.306 4.136
331 HB VAL 51 HB VAL 51 1.761 -5.024 6.781
332 HG11 VAL 51 1HG1 VAL 51 0.997 -4.877 3.896
333 HG12 VAL 51 2HG1 VAL 51 -0.210 -5.314 5.106
334 HG13 VAL 51 3HG1 VAL 51 0.625 -3.765 5.213
335 HG21 VAL 51 3HG2 VAL 51 0.652 -7.212 5.444
336 HG22 VAL 51 1HG2 VAL 51 2.396 -7.467 5.394
337 HG23 VAL 51 2HG2 VAL 51 1.583 -7.236 6.942
338 H GLY 52 H GLY 52 3.866 -4.090 7.412
339 HA2 GLY 52 2HA GLY 52 3.365 -1.388 6.933
340 HA3 GLY 52 3HA GLY 52 4.473 -2.004 8.150
341 H GLN 53 H GLN 53 6.124 -3.339 6.072
342 HA GLN 53 HA GLN 53 7.968 -1.242 5.646
343 HB3 GLN 53 2HB GLN 53 9.272 -2.868 4.405
344 HG3 GLN 53 2HG GLN 53 8.576 -4.954 6.086
345 HE21 GLN 53 1HE2 GLN 53 10.555 -5.637 6.422
346 HE22 GLN 53 2HE2 GLN 53 11.917 -4.662 6.843
347 H LEU 54 H LEU 54 5.719 -2.915 3.473
348 HA LEU 54 HA LEU 54 6.464 -1.275 1.220
349 HB3 LEU 54 2HB LEU 54 5.571 -3.728 1.275
350 HG LEU 54 HG LEU 54 3.271 -2.783 2.233
351 HD11 LEU 54 1HD1 LEU 54 3.103 -1.356 0.099
352 HD12 LEU 54 2HD1 LEU 54 1.678 -2.249 0.627
353 HD13 LEU 54 3HD1 LEU 54 2.663 -2.867 -0.698
354 HD21 LEU 54 3HD2 LEU 54 2.423 -4.770 0.465
355 HD22 LEU 54 1HD2 LEU 54 2.988 -4.983 2.122
356 HD23 LEU 54 2HD2 LEU 54 4.124 -5.119 0.780
357 H VAL 55 H VAL 55 3.923 -1.357 3.626
358 HA VAL 55 HA VAL 55 2.077 0.366 2.422
359 HB VAL 55 HB VAL 55 2.695 -0.242 5.298
360 HG11 VAL 55 1HG1 VAL 55 1.064 1.956 4.205
361 HG12 VAL 55 2HG1 VAL 55 0.306 0.991 5.473
362 HG13 VAL 55 3HG1 VAL 55 1.846 1.795 5.777
363 HG21 VAL 55 3HG2 VAL 55 0.489 -1.311 5.214
364 HG22 VAL 55 1HG2 VAL 55 0.325 -0.826 3.526
365 HG23 VAL 55 2HG2 VAL 55 1.579 -1.972 3.997
366 H ASN 56 H ASN 56 4.993 1.027 4.276
367 HA ASN 56 HA ASN 56 4.565 3.805 4.610
368 HB3 ASN 56 2HB ASN 56 7.245 3.642 4.718
369 HD21 ASN 56 1HD2 ASN 56 4.835 1.713 6.475
370 HD22 ASN 56 2HD2 ASN 56 5.035 2.531 7.984
371 H GLU 57 H GLU 57 5.934 1.873 2.036
372 HA GLU 57 HA GLU 57 7.163 4.010 0.624
373 HB3 GLU 57 2HB GLU 57 6.190 1.343 -0.417
374 HG3 GLU 57 2HG GLU 57 6.696 2.865 -2.241
375 H ALA 58 H ALA 58 3.953 2.595 0.610
376 HA ALA 58 HA ALA 58 3.027 3.874 -1.748
377 HB1 ALA 58 1HB ALA 58 1.733 2.463 0.537
378 HB2 ALA 58 2HB ALA 58 0.735 3.410 -0.567
379 HB3 ALA 58 3HB ALA 58 1.713 2.077 -1.184
380 H ALA 59 H ALA 59 2.547 4.621 1.704
381 HA ALA 59 HA ALA 59 1.019 6.903 1.460
382 HB1 ALA 59 1HB ALA 59 2.709 5.719 3.508
383 HB2 ALA 59 2HB ALA 59 2.652 7.480 3.602
384 HB3 ALA 59 3HB ALA 59 1.157 6.545 3.658
385 H ARG 60 H ARG 60 4.529 6.565 1.237
386 HA ARG 60 HA ARG 60 5.205 9.277 1.185
387 HB3 ARG 60 2HB ARG 60 6.559 6.959 -0.206
388 HG3 ARG 60 2HG ARG 60 7.178 9.648 -0.466
389 HD3 ARG 60 2HD ARG 60 8.157 8.927 2.005
390 HE ARG 60 HE ARG 60 9.971 7.757 0.364
391 HH11 ARG 60 1HH1 ARG 60 10.064 10.508 2.494
392 HH12 ARG 60 2HH1 ARG 60 11.750 10.335 2.858
393 HH21 ARG 60 1HH2 ARG 60 12.190 7.517 0.834
394 HH22 ARG 60 2HH2 ARG 60 12.959 8.634 1.912
395 H ALA 61 H ALA 61 4.363 7.067 -1.458
396 HA ALA 61 HA ALA 61 4.736 8.972 -3.532
397 HB1 ALA 61 1HB ALA 61 3.336 7.329 -4.867
398 HB2 ALA 61 2HB ALA 61 4.830 6.707 -4.165
399 HB3 ALA 61 3HB ALA 61 3.280 6.346 -3.404
400 H MET 62 H MET 62 1.923 7.917 -1.663
401 HA MET 62 HA MET 62 0.046 9.482 -3.134
402 HB3 MET 62 2HB MET 62 -1.521 8.923 -1.346
403 HG3 MET 62 2HG MET 62 -1.511 6.550 -1.434
404 HE1 MET 62 3HE MET 62 -2.809 8.467 -2.797
405 HE2 MET 62 1HE MET 62 -1.863 9.328 -4.011
406 HE3 MET 62 2HE MET 62 -3.074 8.147 -4.512
407 H GLY 63 H GLY 63 2.459 10.328 -0.988
408 HA2 GLY 63 2HA GLY 63 3.019 12.400 -0.138
409 HA3 GLY 63 3HA GLY 63 1.547 13.041 -0.853
410 H LEU 64 H LEU 64 2.042 10.492 1.575
411 HA LEU 64 HA LEU 64 0.234 11.981 3.355
412 HB3 LEU 64 2HB LEU 64 -0.499 9.965 4.258
413 HG LEU 64 HG LEU 64 0.076 9.016 1.460
414 HD11 LEU 64 1HD1 LEU 64 -2.258 8.497 3.292
415 HD12 LEU 64 2HD1 LEU 64 -0.881 7.414 3.100
416 HD13 LEU 64 3HD1 LEU 64 -1.938 7.746 1.728
417 HD21 LEU 64 3HD2 LEU 64 -2.476 10.135 1.536
418 HD22 LEU 64 1HD2 LEU 64 -1.064 10.757 0.683
419 HD23 LEU 64 2HD2 LEU 64 -1.428 11.322 2.314
420 H SER 65 H SER 65 0.783 10.587 5.708
421 HA SER 65 HA SER 65 3.605 10.723 6.273
422 HB3 SER 65 2HB SER 65 1.712 12.861 7.220
423 HG SER 65 HG SER 65 4.127 12.934 8.432
424 H ALA 66 H ALA 66 0.781 11.307 8.346
425 HA ALA 66 HA ALA 66 1.600 9.212 10.141
426 HB1 ALA 66 1HB ALA 66 -0.869 9.962 11.014
427 HB2 ALA 66 2HB ALA 66 0.646 10.737 11.476
428 HB3 ALA 66 3HB ALA 66 -0.327 11.413 10.171
429 H VAL 67 H VAL 67 -0.285 9.360 7.345
430 HA VAL 67 HA VAL 67 -2.333 7.522 7.873
431 HB VAL 67 HB VAL 67 -0.890 7.997 5.260
432 HG11 VAL 67 1HG1 VAL 67 -3.302 6.424 6.006
433 HG12 VAL 67 2HG1 VAL 67 -3.309 7.294 4.470
434 HG13 VAL 67 3HG1 VAL 67 -2.063 6.090 4.797
435 HG21 VAL 67 3HG2 VAL 67 -1.744 10.075 5.827
436 HG22 VAL 67 1HG2 VAL 67 -3.054 9.374 4.876
437 HG23 VAL 67 2HG2 VAL 67 -3.152 9.391 6.638
438 H ALA 68 H ALA 68 1.035 7.062 7.609
439 HA ALA 68 HA ALA 68 1.453 4.620 6.512
440 HB1 ALA 68 1HB ALA 68 2.688 5.087 9.179
441 HB2 ALA 68 2HB ALA 68 3.420 4.521 7.677
442 HB3 ALA 68 3HB ALA 68 3.026 6.228 7.876
443 H MET 69 H MET 69 0.129 2.914 6.660
444 HA MET 69 HA MET 69 -0.967 1.121 7.528
445 HB3 MET 69 2HB MET 69 -0.178 0.143 9.511
446 HG3 MET 69 2HG MET 69 2.238 1.806 9.128
447 HE1 MET 69 3HE MET 69 0.549 -1.346 8.284
448 HE2 MET 69 1HE MET 69 1.908 -2.466 8.190
449 HE3 MET 69 2HE MET 69 0.939 -2.378 9.662
450 HA PRO 70 HA PRO 70 -4.182 3.920 9.249
451 HB3 PRO 70 2HB PRO 70 -5.074 4.185 7.148
452 HG3 PRO 70 2HG PRO 70 -4.731 2.591 5.490
453 HD3 PRO 70 2HD PRO 70 -2.559 2.899 6.200
454 H THR 71 H THR 71 -4.351 0.448 8.545
455 HA THR 71 HA THR 71 -5.268 -0.111 11.213
456 HB THR 71 HB THR 71 -7.387 0.501 10.031
457 HG1 THR 71 1HG THR 71 -8.361 -0.976 11.219
458 HG21 THR 71 3HG2 THR 71 -6.315 -1.068 7.979
459 HG22 THR 71 1HG2 THR 71 -7.924 -0.348 8.038
460 HG23 THR 71 2HG2 THR 71 -7.673 -1.996 8.613
461 H ASN 72 H ASN 72 -5.888 -2.588 11.299
462 HA ASN 72 HA ASN 72 -3.620 -4.061 10.767
463 HB3 ASN 72 2HB ASN 72 -6.340 -5.347 10.797
464 HD21 ASN 72 1HD2 ASN 72 -6.255 -7.456 11.248
465 HD22 ASN 72 2HD2 ASN 72 -4.816 -8.328 11.637
466 H PHE 73 H PHE 73 -2.903 -5.354 9.131
467 HA PHE 73 HA PHE 73 -4.474 -5.306 6.638
468 HB3 PHE 73 2HB PHE 73 -2.123 -5.583 5.566
469 HD1 PHE 73 2HD PHE 73 -4.203 -4.079 4.679
470 HD2 PHE 73 1HD PHE 73 -1.046 -2.769 7.216
471 HE1 PHE 73 2HE PHE 73 -4.585 -1.760 3.951
472 HE2 PHE 73 1HE PHE 73 -1.424 -0.448 6.492
473 HZ PHE 73 HZ PHE 73 -3.195 0.059 4.857
474 H ALA 74 H ALA 74 -3.003 -7.227 9.015
475 HA ALA 74 HA ALA 74 -2.238 -9.513 7.625
476 HB1 ALA 74 1HB ALA 74 -3.571 -9.622 10.312
477 HB2 ALA 74 2HB ALA 74 -2.279 -10.642 9.677
478 HB3 ALA 74 3HB ALA 74 -1.949 -8.962 10.103
479 H THR 75 H THR 75 -5.355 -8.197 8.100
480 HA THR 75 HA THR 75 -6.562 -10.661 7.026
481 HB THR 75 HB THR 75 -7.261 -10.417 9.348
482 HG1 THR 75 1HG THR 75 -8.810 -11.166 7.804
483 HG21 THR 75 3HG2 THR 75 -7.162 -7.700 8.858
484 HG22 THR 75 1HG2 THR 75 -7.802 -8.468 10.310
485 HG23 THR 75 2HG2 THR 75 -8.889 -8.030 8.993
486 H ALA 76 H ALA 76 -5.631 -7.803 6.084
487 HA ALA 76 HA ALA 76 -8.117 -7.052 4.708
488 HB1 ALA 76 1HB ALA 76 -7.224 -4.891 4.407
489 HB2 ALA 76 2HB ALA 76 -6.825 -5.345 6.064
490 HB3 ALA 76 3HB ALA 76 -5.591 -5.425 4.807
491 H THR 77 H THR 77 -7.718 -6.127 2.444
492 HA THR 77 HA THR 77 -5.821 -7.866 1.006
493 HB THR 77 HB THR 77 -7.540 -7.589 -0.929
494 HG1 THR 77 1HG THR 77 -9.366 -7.392 1.226
495 HG21 THR 77 3HG2 THR 77 -7.553 -9.422 1.391
496 HG22 THR 77 1HG2 THR 77 -7.382 -9.772 -0.328
497 HG23 THR 77 2HG2 THR 77 -8.978 -9.461 0.355
498 H VAL 78 H VAL 78 -5.430 -7.010 -1.293
499 HA VAL 78 HA VAL 78 -4.108 -4.575 -1.168
500 HB VAL 78 HB VAL 78 -3.978 -4.644 -3.607
501 HG11 VAL 78 1HG1 VAL 78 -3.501 -7.386 -3.496
502 HG12 VAL 78 2HG1 VAL 78 -2.347 -6.092 -3.163
503 HG13 VAL 78 3HG1 VAL 78 -3.267 -6.816 -1.844
504 HG21 VAL 78 3HG2 VAL 78 -6.137 -5.253 -4.304
505 HG22 VAL 78 1HG2 VAL 78 -5.115 -6.619 -4.750
506 HG23 VAL 78 2HG2 VAL 78 -6.137 -6.714 -3.315
507 H ARG 79 H ARG 79 -7.405 -5.294 -2.183
508 HA ARG 79 HA ARG 79 -8.023 -2.760 -3.252
509 HB3 ARG 79 2HB ARG 79 -9.958 -4.658 -1.923
510 HG3 ARG 79 2HG ARG 79 -10.732 -2.357 -2.745
511 HD3 ARG 79 2HD ARG 79 -9.375 -2.788 -4.949
512 HE ARG 79 HE ARG 79 -11.201 -4.756 -5.352
513 HH11 ARG 79 1HH1 ARG 79 -10.492 -1.746 -6.950
514 HH12 ARG 79 2HH1 ARG 79 -11.003 -2.303 -8.509
515 HH21 ARG 79 1HH2 ARG 79 -11.876 -5.502 -7.399
516 HH22 ARG 79 2HH2 ARG 79 -11.791 -4.438 -8.763
517 H GLU 80 H GLU 80 -8.256 -4.087 0.010
518 HA GLU 80 HA GLU 80 -9.628 -1.876 1.140
519 HB3 GLU 80 2HB GLU 80 -8.582 -2.861 3.314
520 HG3 GLU 80 2HG GLU 80 -10.177 -4.936 1.914
521 H MET 81 H MET 81 -6.195 -2.809 1.106
522 HA MET 81 HA MET 81 -5.244 -0.605 2.565
523 HB3 MET 81 2HB MET 81 -3.849 -2.297 0.485
524 HG3 MET 81 2HG MET 81 -2.497 -0.776 2.681
525 HE1 MET 81 3HE MET 81 -1.038 -2.395 3.353
526 HE2 MET 81 1HE MET 81 -1.357 -3.816 2.358
527 HE3 MET 81 2HE MET 81 0.273 -3.146 2.441
528 H ALA 82 H ALA 82 -5.698 -1.101 -0.908
529 HA ALA 82 HA ALA 82 -4.546 1.364 -1.711
530 HB1 ALA 82 1HB ALA 82 -5.133 0.787 -3.852
531 HB2 ALA 82 2HB ALA 82 -5.124 -0.798 -3.079
532 HB3 ALA 82 3HB ALA 82 -6.651 0.039 -3.352
533 H GLU 83 H GLU 83 -7.872 0.341 -1.044
534 HA GLU 83 HA GLU 83 -9.109 2.760 -1.815
535 HB3 GLU 83 2HB GLU 83 -10.846 1.792 0.005
536 HG3 GLU 83 2HG GLU 83 -11.646 1.875 -2.157
537 H ALA 84 H ALA 84 -7.968 1.562 1.320
538 HA ALA 84 HA ALA 84 -8.868 3.701 2.893
539 HB1 ALA 84 1HB ALA 84 -8.145 2.239 4.403
540 HB2 ALA 84 2HB ALA 84 -7.125 1.420 3.220
541 HB3 ALA 84 3HB ALA 84 -6.513 2.829 4.086
542 H LEU 85 H LEU 85 -5.847 3.234 1.112
543 HA LEU 85 HA LEU 85 -4.604 5.612 2.051
544 HB3 LEU 85 2HB LEU 85 -3.260 5.204 -0.182
545 HG LEU 85 HG LEU 85 -3.088 3.201 2.069
546 HD11 LEU 85 1HD1 LEU 85 -1.793 2.208 0.478
547 HD12 LEU 85 2HD1 LEU 85 -0.610 3.324 1.162
548 HD13 LEU 85 3HD1 LEU 85 -1.437 3.727 -0.343
549 HD21 LEU 85 3HD2 LEU 85 -2.661 5.951 2.122
550 HD22 LEU 85 1HD2 LEU 85 -1.052 5.246 1.970
551 HD23 LEU 85 2HD2 LEU 85 -2.101 4.766 3.303
552 H GLU 86 H GLU 86 -6.395 4.796 -0.900
553 HA GLU 86 HA GLU 86 -6.097 7.301 -2.158
554 HB3 GLU 86 2HB GLU 86 -7.078 4.920 -2.950
555 HG3 GLU 86 2HG GLU 86 -9.237 5.532 -1.656
556 H ALA 87 H ALA 87 -8.351 6.099 0.228
557 HA ALA 87 HA ALA 87 -10.280 8.158 0.003
558 HB1 ALA 87 1HB ALA 87 -10.460 7.338 2.607
559 HB2 ALA 87 2HB ALA 87 -11.263 6.573 1.235
560 HB3 ALA 87 3HB ALA 87 -9.724 5.941 1.820
561 H ARG 88 H ARG 88 -7.471 7.734 2.135
562 HA ARG 88 HA ARG 88 -7.817 10.031 3.687
563 HB3 ARG 88 2HB ARG 88 -5.548 9.763 4.363
564 HG3 ARG 88 2HG ARG 88 -5.536 6.985 3.910
565 HD3 ARG 88 2HD ARG 88 -4.893 7.892 6.000
566 HE ARG 88 HE ARG 88 -6.021 9.772 6.641
567 HH11 ARG 88 1HH1 ARG 88 -8.328 7.275 5.884
568 HH12 ARG 88 2HH1 ARG 88 -9.691 8.186 6.442
569 HH21 ARG 88 1HH2 ARG 88 -7.810 10.980 7.378
570 HH22 ARG 88 2HH2 ARG 88 -9.396 10.294 7.291
571 H GLU 89 H GLU 89 -5.712 9.587 0.839
572 HA GLU 89 HA GLU 89 -4.897 12.256 0.630
573 HB3 GLU 89 2HB GLU 89 -3.698 10.550 -0.554
574 HG3 GLU 89 2HG GLU 89 -5.900 9.231 -1.053
575 H ARG 90 H ARG 90 -7.762 10.613 -0.531
576 HA ARG 90 HA ARG 90 -8.660 12.535 -2.365
577 HB3 ARG 90 2HB ARG 90 -10.147 10.531 -0.672
578 HG3 ARG 90 2HG ARG 90 -11.264 12.078 -2.998
579 HD3 ARG 90 2HD ARG 90 -12.098 9.699 -1.487
580 HE ARG 90 HE ARG 90 -13.785 11.929 -1.308
581 HH11 ARG 90 1HH1 ARG 90 -13.878 8.587 -2.281
582 HH12 ARG 90 2HH1 ARG 90 -15.554 8.386 -1.890
583 HH21 ARG 90 1HH2 ARG 90 -15.991 11.676 -0.790
584 HH22 ARG 90 2HH2 ARG 90 -16.755 10.143 -1.043
585 H GLU 91 H GLU 91 -8.764 12.422 1.111
586 HA GLU 91 HA GLU 91 -9.823 15.138 1.146
587 HB3 GLU 91 2HB GLU 91 -11.013 12.974 2.886
588 HG3 GLU 91 2HG GLU 91 -11.085 15.748 3.153
589 H ALA 92 H ALA 92 -7.295 14.846 1.559
590 HA ALA 92 HA ALA 92 -6.820 14.492 4.434
591 HB1 ALA 92 1HB ALA 92 -5.298 13.887 2.084
592 HB2 ALA 92 2HB ALA 92 -4.384 14.982 3.122
593 HB3 ALA 92 3HB ALA 92 -4.979 13.451 3.764
594 HA PRO 93 HA PRO 93 -6.235 18.766 5.232
595 HB3 PRO 93 2HB PRO 93 -5.723 18.195 7.397
596 HG3 PRO 93 2HG PRO 93 -4.471 16.293 7.872
597 HD3 PRO 93 2HD PRO 93 -6.050 15.385 6.460
598 H HIS 94 H HIS 94 -4.256 20.415 5.536
599 HA HIS 94 HA HIS 94 -2.763 20.250 3.028
600 HB3 HIS 94 2HB HIS 94 -4.055 22.285 3.381
601 HD1 HIS 94 1HD HIS 94 -1.349 23.679 5.472
602 HD2 HIS 94 2HD HIS 94 -5.293 22.464 5.950
603 HE1 HIS 94 1HE HIS 94 -2.078 24.620 7.688
604 H LEU 95 H LEU 95 -1.798 18.527 4.924
605 HA LEU 95 HA LEU 95 0.625 19.856 5.936
606 HB3 LEU 95 2HB LEU 95 -0.383 17.163 6.801
607 HG LEU 95 HG LEU 95 1.724 18.959 7.784
608 HD11 LEU 95 1HD1 LEU 95 -0.211 19.175 9.443
609 HD12 LEU 95 2HD1 LEU 95 1.364 18.696 10.074
610 HD13 LEU 95 3HD1 LEU 95 0.106 17.485 9.833
611 HD21 LEU 95 3HD2 LEU 95 1.658 16.424 6.950
612 HD22 LEU 95 1HD2 LEU 95 1.397 16.156 8.674
613 HD23 LEU 95 2HD2 LEU 95 2.837 17.014 8.124
614 H GLU 96 H GLU 96 2.643 18.720 5.760
615 HA GLU 96 HA GLU 96 2.830 16.416 4.040
616 HB3 GLU 96 2HB GLU 96 4.093 18.990 3.093
617 HG3 GLU 96 2HG GLU 96 3.994 16.211 2.031
618 H HIS 97 H HIS 97 5.056 15.650 3.815
619 HA HIS 97 HA HIS 97 7.175 16.843 5.295
620 HB3 HIS 97 2HB HIS 97 6.563 14.249 6.546
621 HD1 HIS 97 1HD HIS 97 6.319 17.607 8.213
622 HD2 HIS 97 2HD HIS 97 9.040 14.500 7.767
623 HE1 HIS 97 1HE HIS 97 8.175 18.101 9.837
624 H HIS 98 H HIS 98 9.118 15.437 5.348
625 HA HIS 98 HA HIS 98 9.117 13.638 3.021
626 HB3 HIS 98 2HB HIS 98 11.457 15.089 4.275
627 HD1 HIS 98 1HD HIS 98 11.065 14.529 0.624
628 HD2 HIS 98 2HD HIS 98 13.149 12.871 3.813
629 HE1 HIS 98 1HE HIS 98 12.795 13.026 -0.412
630 H HIS 99 H HIS 99 10.999 14.034 6.029
631 HA HIS 99 HA HIS 99 11.810 12.525 7.525
632 HB3 HIS 99 2HB HIS 99 9.550 10.772 6.539
633 HD1 HIS 99 1HD HIS 99 9.317 8.630 7.771
634 HD2 HIS 99 2HD HIS 99 11.885 11.267 9.698
635 HE1 HIS 99 1HE HIS 99 10.279 7.340 9.704
636 H HIS 100 H HIS 100 13.788 12.053 6.671
637 HA HIS 100 HA HIS 100 13.949 9.818 4.767
638 HB3 HIS 100 2HB HIS 100 14.995 11.943 4.048
639 HD1 HIS 100 1HD HIS 100 18.169 11.087 5.600
640 HD2 HIS 100 2HD HIS 100 15.093 13.785 6.329
641 HE1 HIS 100 1HE HIS 100 19.136 12.806 7.161
642 H HIS 101 H HIS 101 16.473 8.934 5.121
643 HA HIS 101 HA HIS 101 17.755 7.519 6.358
644 HB3 HIS 101 2HB HIS 101 16.745 9.057 8.756
645 HD1 HIS 101 1HD HIS 101 18.046 8.621 10.866
646 HD2 HIS 101 2HD HIS 101 19.651 6.685 7.559
647 HE1 HIS 101 1HE HIS 101 19.813 7.082 11.780
648 H HIS 102 H HIS 102 16.674 5.619 5.984
649 HA HIS 102 HA HIS 102 15.347 4.443 8.237
650 HB3 HIS 102 2HB HIS 102 13.479 5.681 7.176
651 HD1 HIS 102 1HD HIS 102 14.732 6.507 4.770
652 HD2 HIS 102 2HD HIS 102 12.352 3.103 4.753
653 HE1 HIS 102 1HE HIS 102 14.088 6.150 2.365
Start of MODEL 2
1 H1 MET 1 H MET 1 2.667 -13.386 -22.819
2 HA MET 1 HA MET 1 0.664 -12.178 -22.953
3 HB3 MET 1 2HB MET 1 -0.566 -12.108 -20.537
4 HG3 MET 1 2HG MET 1 -1.188 -13.142 -22.972
5 HE1 MET 1 3HE MET 1 -1.322 -15.962 -19.706
6 HE2 MET 1 1HE MET 1 -2.615 -14.831 -20.105
7 HE3 MET 1 2HE MET 1 -2.743 -16.521 -20.589
8 H ALA 2 H ALA 2 1.113 -10.084 -22.996
9 HA ALA 2 HA ALA 2 1.454 -8.497 -20.698
10 HB1 ALA 2 1HB ALA 2 3.621 -8.663 -20.260
11 HB2 ALA 2 2HB ALA 2 3.845 -9.757 -21.625
12 HB3 ALA 2 3HB ALA 2 3.973 -8.014 -21.862
13 H ARG 3 H ARG 3 1.980 -6.221 -21.243
14 HA ARG 3 HA ARG 3 2.208 -5.273 -23.867
15 HB3 ARG 3 2HB ARG 3 0.056 -6.064 -24.395
16 HG3 ARG 3 2HG ARG 3 -1.804 -4.964 -22.692
17 HD3 ARG 3 2HD ARG 3 -0.848 -7.587 -23.462
18 HE ARG 3 HE ARG 3 -1.088 -7.379 -20.722
19 HH11 ARG 3 1HH1 ARG 3 -2.623 -9.166 -23.285
20 HH12 ARG 3 2HH1 ARG 3 -3.003 -10.528 -22.285
21 HH21 ARG 3 1HH2 ARG 3 -1.583 -9.167 -19.394
22 HH22 ARG 3 2HH2 ARG 3 -2.412 -10.528 -20.072
23 H ALA 4 H ALA 4 1.236 -2.877 -23.939
24 HA ALA 4 HA ALA 4 2.541 -1.493 -21.803
25 HB1 ALA 4 1HB ALA 4 0.789 -0.047 -23.720
26 HB2 ALA 4 2HB ALA 4 2.385 0.379 -23.102
27 HB3 ALA 4 3HB ALA 4 2.223 -0.861 -24.346
28 H ASP 5 H ASP 5 -0.754 -2.314 -22.587
29 HA ASP 5 HA ASP 5 -1.823 -0.543 -20.536
30 HB3 ASP 5 2HB ASP 5 -3.160 -0.623 -22.497
31 H ASP 6 H ASP 6 -0.231 -3.292 -20.346
32 HA ASP 6 HA ASP 6 -0.191 -5.113 -18.970
33 HB3 ASP 6 2HB ASP 6 -0.168 -4.485 -16.795
34 H THR 7 H THR 7 -1.928 -6.073 -17.039
35 HA THR 7 HA THR 7 -3.696 -7.623 -18.486
36 HB THR 7 HB THR 7 -4.947 -7.670 -16.116
37 HG1 THR 7 1HG THR 7 -2.317 -6.958 -15.347
38 HG21 THR 7 3HG2 THR 7 -2.256 -8.903 -16.044
39 HG22 THR 7 1HG2 THR 7 -3.281 -9.321 -17.416
40 HG23 THR 7 2HG2 THR 7 -3.841 -9.627 -15.771
41 H ALA 8 H ALA 8 -5.145 -6.715 -19.839
42 HA ALA 8 HA ALA 8 -7.025 -5.648 -20.552
43 HB1 ALA 8 1HB ALA 8 -7.531 -6.102 -17.677
44 HB2 ALA 8 2HB ALA 8 -8.559 -4.914 -18.481
45 HB3 ALA 8 3HB ALA 8 -8.482 -6.569 -19.089
46 H LEU 9 H LEU 9 -7.057 -3.843 -17.548
47 HA LEU 9 HA LEU 9 -6.767 -1.369 -19.038
48 HB3 LEU 9 2HB LEU 9 -6.906 -0.868 -16.261
49 HG LEU 9 HG LEU 9 -8.234 0.101 -18.431
50 HD11 LEU 9 1HD1 LEU 9 -10.341 -0.637 -18.628
51 HD12 LEU 9 2HD1 LEU 9 -10.540 -0.847 -16.889
52 HD13 LEU 9 3HD1 LEU 9 -9.727 -2.090 -17.840
53 HD21 LEU 9 3HD2 LEU 9 -7.730 1.165 -16.211
54 HD22 LEU 9 1HD2 LEU 9 -9.201 0.408 -15.596
55 HD23 LEU 9 2HD2 LEU 9 -9.297 1.583 -16.908
56 HA PRO 10 HA PRO 10 -2.520 -0.690 -18.131
57 HB3 PRO 10 2HB PRO 10 -2.623 1.050 -19.629
58 HG3 PRO 10 2HG PRO 10 -4.530 2.367 -19.807
59 HD3 PRO 10 2HD PRO 10 -5.482 0.272 -19.940
60 H ALA 11 H ALA 11 -5.011 0.170 -16.018
61 HA ALA 11 HA ALA 11 -5.091 0.543 -13.773
62 HB1 ALA 11 1HB ALA 11 -3.415 -0.332 -12.417
63 HB2 ALA 11 2HB ALA 11 -3.279 -1.282 -13.898
64 HB3 ALA 11 3HB ALA 11 -2.145 0.032 -13.586
65 H ALA 12 H ALA 12 -4.984 2.787 -15.259
66 HA ALA 12 HA ALA 12 -2.882 4.539 -14.328
67 HB1 ALA 12 1HB ALA 12 -3.380 5.442 -16.302
68 HB2 ALA 12 2HB ALA 12 -4.932 4.608 -16.381
69 HB3 ALA 12 3HB ALA 12 -4.796 6.137 -15.513
70 H THR 13 H THR 13 -5.544 3.327 -12.883
71 HA THR 13 HA THR 13 -7.055 5.306 -11.802
72 HB THR 13 HB THR 13 -5.923 2.927 -10.318
73 HG1 THR 13 1HG THR 13 -8.264 3.353 -11.871
74 HG21 THR 13 3HG2 THR 13 -6.776 4.031 -8.533
75 HG22 THR 13 1HG2 THR 13 -8.305 3.405 -9.149
76 HG23 THR 13 2HG2 THR 13 -7.812 5.055 -9.527
77 H GLY 14 H GLY 14 -3.984 4.160 -10.380
78 HA2 GLY 14 2HA GLY 14 -2.373 5.950 -9.762
79 HA3 GLY 14 3HA GLY 14 -3.748 6.805 -9.080
80 H ALA 15 H ALA 15 -4.672 6.069 -7.133
81 HA ALA 15 HA ALA 15 -2.851 5.116 -5.229
82 HB1 ALA 15 1HB ALA 15 -5.241 6.360 -5.093
83 HB2 ALA 15 2HB ALA 15 -5.705 4.725 -4.620
84 HB3 ALA 15 3HB ALA 15 -4.455 5.582 -3.718
85 H LEU 16 H LEU 16 -5.261 3.457 -7.173
86 HA LEU 16 HA LEU 16 -5.116 0.979 -5.778
87 HB3 LEU 16 2HB LEU 16 -5.945 0.341 -8.315
88 HG LEU 16 HG LEU 16 -8.319 0.881 -7.506
89 HD11 LEU 16 1HD1 LEU 16 -7.469 -1.349 -7.428
90 HD12 LEU 16 2HD1 LEU 16 -8.245 -1.010 -5.881
91 HD13 LEU 16 3HD1 LEU 16 -6.487 -0.984 -6.009
92 HD21 LEU 16 3HD2 LEU 16 -6.850 1.317 -4.909
93 HD22 LEU 16 1HD2 LEU 16 -8.595 1.342 -5.168
94 HD23 LEU 16 2HD2 LEU 16 -7.582 2.604 -5.870
95 H GLU 17 H GLU 17 -3.638 2.198 -8.768
96 HA GLU 17 HA GLU 17 -2.212 -0.191 -9.340
97 HB3 GLU 17 2HB GLU 17 -2.802 1.742 -10.930
98 HG3 GLU 17 2HG GLU 17 -0.298 2.832 -9.679
99 H LEU 18 H LEU 18 -1.502 2.685 -7.472
100 HA LEU 18 HA LEU 18 1.282 2.258 -7.189
101 HB3 LEU 18 2HB LEU 18 -0.381 3.619 -5.107
102 HG LEU 18 HG LEU 18 2.344 4.160 -6.249
103 HD11 LEU 18 1HD1 LEU 18 0.439 6.126 -5.662
104 HD12 LEU 18 2HD1 LEU 18 2.172 6.343 -5.908
105 HD13 LEU 18 3HD1 LEU 18 1.538 6.086 -4.283
106 HD21 LEU 18 3HD2 LEU 18 1.305 2.996 -3.848
107 HD22 LEU 18 1HD2 LEU 18 2.213 4.456 -3.457
108 HD23 LEU 18 2HD2 LEU 18 2.981 3.160 -4.375
109 H VAL 19 H VAL 19 -1.437 1.578 -4.986
110 HA VAL 19 HA VAL 19 0.118 0.271 -3.027
111 HB VAL 19 HB VAL 19 -2.816 0.313 -3.643
112 HG11 VAL 19 1HG1 VAL 19 -3.147 -1.026 -1.551
113 HG12 VAL 19 2HG1 VAL 19 -2.496 -1.935 -2.917
114 HG13 VAL 19 3HG1 VAL 19 -1.430 -1.422 -1.609
115 HG21 VAL 19 3HG2 VAL 19 -2.591 1.088 -1.100
116 HG22 VAL 19 1HG2 VAL 19 -0.974 1.512 -1.659
117 HG23 VAL 19 2HG2 VAL 19 -2.390 2.201 -2.453
118 H ARG 20 H ARG 20 -1.818 -0.967 -5.732
119 HA ARG 20 HA ARG 20 -1.427 -3.700 -5.208
120 HB3 ARG 20 2HB ARG 20 -1.881 -3.890 -7.749
121 HG3 ARG 20 2HG ARG 20 -3.751 -2.770 -5.724
122 HD3 ARG 20 2HD ARG 20 -4.077 -2.033 -8.326
123 HE ARG 20 HE ARG 20 -6.019 -4.179 -8.223
124 HH11 ARG 20 1HH1 ARG 20 -2.988 -3.037 -9.499
125 HH12 ARG 20 2HH1 ARG 20 -3.001 -4.120 -10.851
126 HH21 ARG 20 1HH2 ARG 20 -6.048 -5.610 -9.999
127 HH22 ARG 20 2HH2 ARG 20 -4.742 -5.582 -11.136
128 H HIS 21 H HIS 21 0.437 -1.376 -7.103
129 HA HIS 21 HA HIS 21 2.233 -3.209 -8.262
130 HB3 HIS 21 2HB HIS 21 2.706 -0.303 -7.566
131 HD1 HIS 21 1HD HIS 21 4.108 -3.286 -9.325
132 HD2 HIS 21 2HD HIS 21 4.868 0.783 -8.974
133 HE1 HIS 21 1HE HIS 21 6.388 -2.939 -10.328
134 H LEU 22 H LEU 22 2.665 -1.080 -5.431
135 HA LEU 22 HA LEU 22 5.167 -2.031 -4.656
136 HB3 LEU 22 2HB LEU 22 4.601 -1.150 -2.417
137 HG LEU 22 HG LEU 22 3.664 0.722 -4.591
138 HD11 LEU 22 1HD1 LEU 22 2.992 1.770 -2.658
139 HD12 LEU 22 2HD1 LEU 22 4.639 2.376 -2.827
140 HD13 LEU 22 3HD1 LEU 22 4.293 1.069 -1.696
141 HD21 LEU 22 3HD2 LEU 22 6.294 1.234 -3.581
142 HD22 LEU 22 1HD2 LEU 22 5.778 0.909 -5.236
143 HD23 LEU 22 2HD2 LEU 22 6.194 -0.428 -4.164
144 H VAL 23 H VAL 23 1.944 -3.257 -3.977
145 HA VAL 23 HA VAL 23 2.760 -5.165 -2.022
146 HB VAL 23 HB VAL 23 0.261 -4.612 -3.531
147 HG11 VAL 23 1HG1 VAL 23 -0.652 -6.760 -2.369
148 HG12 VAL 23 2HG1 VAL 23 0.151 -6.881 -3.936
149 HG13 VAL 23 3HG1 VAL 23 1.027 -7.294 -2.462
150 HG21 VAL 23 3HG2 VAL 23 -0.373 -3.850 -1.540
151 HG22 VAL 23 1HG2 VAL 23 -0.029 -5.406 -0.786
152 HG23 VAL 23 2HG2 VAL 23 1.247 -4.199 -0.938
153 H ALA 24 H ALA 24 1.947 -5.404 -5.476
154 HA ALA 24 HA ALA 24 2.332 -8.155 -5.766
155 HB1 ALA 24 1HB ALA 24 2.823 -7.529 -8.198
156 HB2 ALA 24 2HB ALA 24 1.252 -7.078 -7.535
157 HB3 ALA 24 3HB ALA 24 2.524 -5.866 -7.694
158 H GLU 25 H GLU 25 4.625 -5.479 -6.258
159 HA GLU 25 HA GLU 25 6.813 -7.089 -7.005
160 HB3 GLU 25 2HB GLU 25 8.191 -5.103 -6.460
161 HG3 GLU 25 2HG GLU 25 6.066 -3.605 -7.670
162 H ARG 26 H ARG 26 5.472 -6.235 -3.915
163 HA ARG 26 HA ARG 26 7.779 -7.028 -2.393
164 HB3 ARG 26 2HB ARG 26 5.970 -6.975 -0.500
165 HG3 ARG 26 2HG ARG 26 5.867 -4.305 -0.985
166 HD3 ARG 26 2HD ARG 26 7.108 -5.939 0.779
167 HE ARG 26 HE ARG 26 9.440 -4.495 -0.165
168 HH11 ARG 26 1HH1 ARG 26 7.746 -7.529 0.030
169 HH12 ARG 26 2HH1 ARG 26 9.159 -8.487 -0.271
170 HH21 ARG 26 1HH2 ARG 26 11.307 -5.744 -0.562
171 HH22 ARG 26 2HH2 ARG 26 11.184 -7.470 -0.606
172 H ALA 27 H ALA 27 4.984 -8.583 -3.706
173 HA ALA 27 HA ALA 27 5.324 -10.947 -2.033
174 HB1 ALA 27 1HB ALA 27 3.378 -11.730 -3.613
175 HB2 ALA 27 2HB ALA 27 3.073 -10.604 -2.291
176 HB3 ALA 27 3HB ALA 27 3.241 -10.003 -3.940
177 H GLU 28 H GLU 28 7.153 -9.906 -4.318
178 HA GLU 28 HA GLU 28 8.517 -10.814 -5.894
179 HB3 GLU 28 2HB GLU 28 7.656 -13.561 -5.053
180 HG3 GLU 28 2HG GLU 28 9.665 -12.731 -6.684
181 H LEU 29 H LEU 29 5.951 -10.106 -6.738
182 HA LEU 29 HA LEU 29 5.692 -11.845 -9.057
183 HB3 LEU 29 2HB LEU 29 3.112 -11.601 -8.701
184 HG LEU 29 HG LEU 29 4.683 -13.614 -7.095
185 HD11 LEU 29 1HD1 LEU 29 2.470 -13.476 -6.186
186 HD12 LEU 29 2HD1 LEU 29 2.579 -14.930 -7.176
187 HD13 LEU 29 3HD1 LEU 29 1.756 -13.501 -7.799
188 HD21 LEU 29 3HD2 LEU 29 5.133 -13.714 -9.484
189 HD22 LEU 29 1HD2 LEU 29 3.403 -13.771 -9.822
190 HD23 LEU 29 2HD2 LEU 29 4.179 -15.106 -8.972
191 HA PRO 30 HA PRO 30 4.987 -8.103 -11.236
192 HB3 PRO 30 2HB PRO 30 4.942 -9.350 -13.166
193 HG3 PRO 30 2HG PRO 30 3.944 -11.450 -13.214
194 HD3 PRO 30 2HD PRO 30 5.283 -11.691 -11.353
195 H VAL 31 H VAL 31 3.486 -6.417 -11.650
196 HA VAL 31 HA VAL 31 1.322 -6.307 -9.765
197 HB VAL 31 HB VAL 31 2.685 -4.322 -10.205
198 HG11 VAL 31 1HG1 VAL 31 2.737 -5.009 -12.768
199 HG12 VAL 31 2HG1 VAL 31 1.397 -3.863 -12.839
200 HG13 VAL 31 3HG1 VAL 31 2.973 -3.343 -12.241
201 HG21 VAL 31 3HG2 VAL 31 0.951 -2.999 -9.719
202 HG22 VAL 31 1HG2 VAL 31 0.181 -3.300 -11.277
203 HG23 VAL 31 2HG2 VAL 31 -0.060 -4.428 -9.942
204 H GLU 32 H GLU 32 1.630 -7.341 -12.974
205 HA GLU 32 HA GLU 32 -1.059 -6.678 -13.795
206 HB3 GLU 32 2HB GLU 32 0.939 -6.866 -15.350
207 HG3 GLU 32 2HG GLU 32 1.103 -9.460 -14.306
208 H VAL 33 H VAL 33 0.502 -9.226 -12.116
209 HA VAL 33 HA VAL 33 -1.749 -11.053 -12.568
210 HB VAL 33 HB VAL 33 0.790 -11.721 -12.697
211 HG11 VAL 33 1HG1 VAL 33 0.272 -12.180 -9.767
212 HG12 VAL 33 2HG1 VAL 33 1.762 -12.470 -10.665
213 HG13 VAL 33 3HG1 VAL 33 1.208 -10.820 -10.382
214 HG21 VAL 33 3HG2 VAL 33 -0.831 -13.636 -11.099
215 HG22 VAL 33 1HG2 VAL 33 -1.449 -13.118 -12.668
216 HG23 VAL 33 2HG2 VAL 33 0.125 -13.906 -12.556
217 H LEU 34 H LEU 34 -0.915 -8.653 -10.491
218 HA LEU 34 HA LEU 34 -1.507 -9.804 -7.965
219 HB3 LEU 34 2HB LEU 34 -2.034 -6.925 -8.470
220 HG LEU 34 HG LEU 34 -0.496 -6.632 -6.501
221 HD11 LEU 34 1HD1 LEU 34 -2.204 -7.544 -4.867
222 HD12 LEU 34 2HD1 LEU 34 -3.068 -8.169 -6.272
223 HD13 LEU 34 3HD1 LEU 34 -2.806 -6.434 -6.098
224 HD21 LEU 34 3HD2 LEU 34 0.354 -8.390 -5.325
225 HD22 LEU 34 1HD2 LEU 34 0.374 -9.093 -6.943
226 HD23 LEU 34 2HD2 LEU 34 -0.930 -9.493 -5.825
227 H ARG 35 H ARG 35 -3.403 -10.459 -7.218
228 HA ARG 35 HA ARG 35 -5.837 -9.867 -8.637
229 HB3 ARG 35 2HB ARG 35 -6.897 -11.380 -7.050
230 HG3 ARG 35 2HG ARG 35 -4.623 -13.072 -7.188
231 HD3 ARG 35 2HD ARG 35 -7.049 -13.629 -7.502
232 HE ARG 35 HE ARG 35 -7.033 -11.819 -9.554
233 HH11 ARG 35 1HH1 ARG 35 -7.748 -15.213 -9.243
234 HH12 ARG 35 2HH1 ARG 35 -8.910 -15.219 -10.529
235 HH21 ARG 35 1HH2 ARG 35 -8.559 -11.815 -11.248
236 HH22 ARG 35 2HH2 ARG 35 -9.370 -13.285 -11.670
237 H ASP 36 H ASP 36 -7.629 -8.750 -7.863
238 HA ASP 36 HA ASP 36 -7.042 -6.514 -6.184
239 HB3 ASP 36 2HB ASP 36 -9.195 -5.721 -6.730
240 H ASP 37 H ASP 37 -8.485 -9.633 -5.712
241 HA ASP 37 HA ASP 37 -9.381 -8.878 -3.021
242 HB3 ASP 37 2HB ASP 37 -10.567 -11.051 -3.029
243 H SER 38 H SER 38 -6.561 -9.484 -4.052
244 HA SER 38 HA SER 38 -5.771 -11.901 -2.745
245 HB3 SER 38 2HB SER 38 -4.428 -9.713 -4.220
246 HG SER 38 HG SER 38 -2.526 -11.230 -3.127
247 H ARG 39 H ARG 39 -4.877 -12.206 -0.759
248 HA ARG 39 HA ARG 39 -5.170 -10.001 1.135
249 HB3 ARG 39 2HB ARG 39 -5.240 -11.617 2.846
250 HG3 ARG 39 2HG ARG 39 -6.390 -13.486 0.901
251 HD3 ARG 39 2HD ARG 39 -6.744 -13.121 3.498
252 HE ARG 39 HE ARG 39 -7.852 -11.125 3.782
253 HH11 ARG 39 1HH1 ARG 39 -9.326 -12.933 1.197
254 HH12 ARG 39 2HH1 ARG 39 -10.700 -11.885 1.073
255 HH21 ARG 39 1HH2 ARG 39 -9.656 -9.739 3.628
256 HH22 ARG 39 2HH2 ARG 39 -10.887 -10.068 2.456
257 H PHE 40 H PHE 40 -3.516 -9.566 2.720
258 HA PHE 40 HA PHE 40 -0.879 -9.594 1.535
259 HB3 PHE 40 2HB PHE 40 -0.253 -8.081 3.300
260 HD1 PHE 40 1HD PHE 40 -0.597 -6.981 1.005
261 HD2 PHE 40 2HD PHE 40 -3.614 -7.196 3.999
262 HE1 PHE 40 1HE PHE 40 -1.792 -5.117 -0.069
263 HE2 PHE 40 2HE PHE 40 -4.814 -5.334 2.930
264 HZ PHE 40 HZ PHE 40 -3.903 -4.291 0.892
265 H LEU 41 H LEU 41 -2.172 -12.088 2.592
266 HA LEU 41 HA LEU 41 0.168 -13.117 3.924
267 HB3 LEU 41 2HB LEU 41 -1.509 -14.147 5.697
268 HG LEU 41 HG LEU 41 -0.425 -11.348 6.010
269 HD11 LEU 41 1HD1 LEU 41 -0.499 -12.247 8.494
270 HD12 LEU 41 2HD1 LEU 41 -1.847 -13.189 7.855
271 HD13 LEU 41 3HD1 LEU 41 -1.880 -11.429 7.761
272 HD21 LEU 41 3HD2 LEU 41 1.556 -12.243 6.643
273 HD22 LEU 41 1HD2 LEU 41 1.037 -13.545 5.571
274 HD23 LEU 41 2HD2 LEU 41 0.813 -13.696 7.314
275 H ASP 42 H ASP 42 -3.163 -13.684 2.884
276 HA ASP 42 HA ASP 42 -3.106 -16.474 2.792
277 HB3 ASP 42 2HB ASP 42 -4.598 -14.844 0.755
278 H ASP 43 H ASP 43 -2.449 -14.139 0.183
279 HA ASP 43 HA ASP 43 -1.047 -16.292 -1.262
280 HB3 ASP 43 2HB ASP 43 -1.493 -14.217 -3.074
281 H LEU 44 H LEU 44 -1.010 -12.747 -0.866
282 HA LEU 44 HA LEU 44 1.562 -12.316 -1.847
283 HB3 LEU 44 2HB LEU 44 1.474 -10.175 -0.791
284 HG LEU 44 HG LEU 44 -1.331 -10.973 -1.561
285 HD11 LEU 44 1HD1 LEU 44 -1.603 -8.478 -1.869
286 HD12 LEU 44 2HD1 LEU 44 -0.148 -8.291 -0.891
287 HD13 LEU 44 3HD1 LEU 44 -1.579 -9.059 -0.205
288 HD21 LEU 44 3HD2 LEU 44 0.994 -10.617 -3.082
289 HD22 LEU 44 1HD2 LEU 44 0.033 -9.158 -3.323
290 HD23 LEU 44 2HD2 LEU 44 -0.666 -10.741 -3.667
291 H HIS 45 H HIS 45 0.496 -13.552 1.204
292 HA HIS 45 HA HIS 45 1.588 -14.164 3.115
293 HB3 HIS 45 2HB HIS 45 3.992 -14.689 1.388
294 HD1 HIS 45 1HD HIS 45 5.597 -15.375 3.165
295 HD2 HIS 45 2HD HIS 45 1.830 -17.038 3.722
296 HE1 HIS 45 1HE HIS 45 5.846 -16.977 5.087
297 H MET 46 H MET 46 1.588 -11.835 3.711
298 HA MET 46 HA MET 46 4.355 -10.899 4.059
299 HB3 MET 46 2HB MET 46 3.856 -8.724 3.458
300 HG3 MET 46 2HG MET 46 2.201 -10.546 1.781
301 HE1 MET 46 3HE MET 46 3.491 -6.930 0.283
302 HE2 MET 46 1HE MET 46 3.479 -8.530 -0.459
303 HE3 MET 46 2HE MET 46 2.289 -7.323 -0.946
304 H SER 47 H SER 47 4.799 -11.049 6.153
305 HA SER 47 HA SER 47 2.906 -11.263 8.206
306 HB3 SER 47 2HB SER 47 4.762 -11.093 9.739
307 HG SER 47 HG SER 47 5.758 -12.813 9.000
308 H SER 48 H SER 48 2.596 -9.785 10.034
309 HA SER 48 HA SER 48 1.531 -7.358 9.329
310 HB3 SER 48 2HB SER 48 2.793 -7.598 12.033
311 HG SER 48 HG SER 48 1.355 -6.099 12.288
312 H ILE 49 H ILE 49 4.842 -8.071 10.303
313 HA ILE 49 HA ILE 49 5.673 -5.335 10.378
314 HB ILE 49 HB ILE 49 7.342 -7.845 10.168
315 HG13 ILE 49 2HG1 ILE 49 7.697 -7.456 12.615
316 HG21 ILE 49 1HG2 ILE 49 8.163 -5.064 10.992
317 HG22 ILE 49 2HG2 ILE 49 9.201 -6.485 10.896
318 HG23 ILE 49 3HG2 ILE 49 8.507 -5.800 9.427
319 HD11 ILE 49 3HD1 ILE 49 5.233 -5.936 12.933
320 HD12 ILE 49 1HD1 ILE 49 6.768 -5.811 13.793
321 HD13 ILE 49 2HD1 ILE 49 6.560 -5.007 12.237
322 H THR 50 H THR 50 5.828 -7.936 7.996
323 HA THR 50 HA THR 50 7.460 -6.621 6.117
324 HB THR 50 HB THR 50 5.341 -8.724 5.628
325 HG1 THR 50 1HG THR 50 7.380 -9.040 7.052
326 HG21 THR 50 3HG2 THR 50 6.242 -7.311 3.652
327 HG22 THR 50 1HG2 THR 50 6.233 -9.068 3.506
328 HG23 THR 50 2HG2 THR 50 7.732 -8.223 3.891
329 H VAL 51 H VAL 51 3.969 -6.636 6.621
330 HA VAL 51 HA VAL 51 3.237 -5.293 4.258
331 HB VAL 51 HB VAL 51 1.767 -5.028 6.872
332 HG11 VAL 51 1HG1 VAL 51 1.072 -4.786 3.978
333 HG12 VAL 51 2HG1 VAL 51 -0.169 -5.254 5.141
334 HG13 VAL 51 3HG1 VAL 51 0.675 -3.715 5.321
335 HG21 VAL 51 3HG2 VAL 51 0.830 -7.201 5.226
336 HG22 VAL 51 1HG2 VAL 51 2.512 -7.447 5.695
337 HG23 VAL 51 2HG2 VAL 51 1.279 -7.199 6.932
338 H GLY 52 H GLY 52 3.860 -4.056 7.541
339 HA2 GLY 52 2HA GLY 52 3.352 -1.362 7.052
340 HA3 GLY 52 3HA GLY 52 4.459 -1.967 8.277
341 H GLN 53 H GLN 53 6.133 -3.292 6.214
342 HA GLN 53 HA GLN 53 7.952 -1.168 5.783
343 HB3 GLN 53 2HB GLN 53 9.324 -2.780 4.647
344 HG3 GLN 53 2HG GLN 53 8.459 -4.900 6.256
345 HE21 GLN 53 1HE2 GLN 53 10.584 -5.424 5.792
346 HE22 GLN 53 2HE2 GLN 53 11.920 -4.655 6.574
347 H LEU 54 H LEU 54 5.728 -2.894 3.632
348 HA LEU 54 HA LEU 54 6.482 -1.305 1.347
349 HB3 LEU 54 2HB LEU 54 5.559 -3.761 1.484
350 HG LEU 54 HG LEU 54 3.252 -2.750 2.333
351 HD11 LEU 54 1HD1 LEU 54 3.202 -1.378 0.141
352 HD12 LEU 54 2HD1 LEU 54 1.730 -2.185 0.682
353 HD13 LEU 54 3HD1 LEU 54 2.704 -2.898 -0.604
354 HD21 LEU 54 3HD2 LEU 54 2.495 -4.768 0.498
355 HD22 LEU 54 1HD2 LEU 54 2.811 -4.920 2.227
356 HD23 LEU 54 2HD2 LEU 54 4.121 -5.147 1.068
357 H VAL 55 H VAL 55 3.930 -1.333 3.744
358 HA VAL 55 HA VAL 55 2.084 0.356 2.503
359 HB VAL 55 HB VAL 55 2.721 -0.144 5.398
360 HG11 VAL 55 1HG1 VAL 55 1.061 1.989 4.226
361 HG12 VAL 55 2HG1 VAL 55 0.311 1.060 5.524
362 HG13 VAL 55 3HG1 VAL 55 1.840 1.893 5.805
363 HG21 VAL 55 3HG2 VAL 55 0.567 -1.279 5.378
364 HG22 VAL 55 1HG2 VAL 55 0.322 -0.813 3.695
365 HG23 VAL 55 2HG2 VAL 55 1.621 -1.928 4.121
366 H ASN 56 H ASN 56 5.021 1.075 4.293
367 HA ASN 56 HA ASN 56 4.593 3.859 4.565
368 HB3 ASN 56 2HB ASN 56 7.277 3.704 4.614
369 HD21 ASN 56 1HD2 ASN 56 6.902 1.484 6.917
370 HD22 ASN 56 2HD2 ASN 56 6.362 2.472 8.228
371 H GLU 57 H GLU 57 5.930 1.868 2.015
372 HA GLU 57 HA GLU 57 7.096 3.990 0.522
373 HB3 GLU 57 2HB GLU 57 6.128 1.392 -0.649
374 HG3 GLU 57 2HG GLU 57 7.167 3.100 -2.144
375 H ALA 58 H ALA 58 3.920 2.510 0.613
376 HA ALA 58 HA ALA 58 2.922 3.671 -1.774
377 HB1 ALA 58 1HB ALA 58 1.851 2.127 0.463
378 HB2 ALA 58 2HB ALA 58 0.702 3.274 -0.226
379 HB3 ALA 58 3HB ALA 58 1.459 2.059 -1.255
380 H ALA 59 H ALA 59 2.533 4.578 1.649
381 HA ALA 59 HA ALA 59 1.004 6.884 1.218
382 HB1 ALA 59 1HB ALA 59 2.281 5.599 3.430
383 HB2 ALA 59 2HB ALA 59 2.583 7.335 3.502
384 HB3 ALA 59 3HB ALA 59 0.928 6.730 3.429
385 H ARG 60 H ARG 60 4.484 6.367 1.211
386 HA ARG 60 HA ARG 60 5.323 9.034 1.269
387 HB3 ARG 60 2HB ARG 60 6.711 6.870 -0.300
388 HG3 ARG 60 2HG ARG 60 8.563 8.145 1.265
389 HD3 ARG 60 2HD ARG 60 8.302 7.558 -1.331
390 HE ARG 60 HE ARG 60 7.152 10.039 -1.356
391 HH11 ARG 60 1HH1 ARG 60 10.021 8.622 -2.727
392 HH12 ARG 60 2HH1 ARG 60 10.033 9.665 -4.110
393 HH21 ARG 60 1HH2 ARG 60 7.157 11.419 -3.173
394 HH22 ARG 60 2HH2 ARG 60 8.404 11.256 -4.362
395 H ALA 61 H ALA 61 4.498 6.940 -1.472
396 HA ALA 61 HA ALA 61 5.089 8.868 -3.472
397 HB1 ALA 61 1HB ALA 61 3.543 7.311 -4.859
398 HB2 ALA 61 2HB ALA 61 5.093 6.701 -4.277
399 HB3 ALA 61 3HB ALA 61 3.604 6.274 -3.433
400 H MET 62 H MET 62 2.161 7.995 -1.712
401 HA MET 62 HA MET 62 0.415 9.633 -3.257
402 HB3 MET 62 2HB MET 62 -1.192 9.256 -1.406
403 HG3 MET 62 2HG MET 62 -1.345 6.836 -1.509
404 HE1 MET 62 3HE MET 62 -3.017 8.309 -2.369
405 HE2 MET 62 1HE MET 62 -2.997 9.162 -3.913
406 HE3 MET 62 2HE MET 62 -3.654 7.529 -3.817
407 H GLY 63 H GLY 63 2.605 10.224 -0.665
408 HA2 GLY 63 2HA GLY 63 3.343 12.392 -0.077
409 HA3 GLY 63 3HA GLY 63 1.833 13.046 -0.693
410 H LEU 64 H LEU 64 1.534 10.289 1.304
411 HA LEU 64 HA LEU 64 0.105 11.787 3.285
412 HB3 LEU 64 2HB LEU 64 -0.451 9.715 4.250
413 HG LEU 64 HG LEU 64 -0.053 8.785 1.424
414 HD11 LEU 64 1HD1 LEU 64 -2.309 8.372 3.377
415 HD12 LEU 64 2HD1 LEU 64 -0.976 7.243 3.135
416 HD13 LEU 64 3HD1 LEU 64 -2.093 7.586 1.813
417 HD21 LEU 64 3HD2 LEU 64 -2.525 9.928 1.428
418 HD22 LEU 64 1HD2 LEU 64 -1.073 10.662 0.748
419 HD23 LEU 64 2HD2 LEU 64 -1.594 11.086 2.379
420 H SER 65 H SER 65 0.734 10.489 5.648
421 HA SER 65 HA SER 65 3.551 10.715 6.190
422 HB3 SER 65 2HB SER 65 1.626 12.862 7.027
423 HG SER 65 HG SER 65 3.944 13.077 8.340
424 H ALA 66 H ALA 66 0.745 11.329 8.274
425 HA ALA 66 HA ALA 66 1.613 9.296 10.121
426 HB1 ALA 66 1HB ALA 66 -0.003 10.116 11.590
427 HB2 ALA 66 2HB ALA 66 0.515 11.544 10.692
428 HB3 ALA 66 3HB ALA 66 -1.005 10.749 10.283
429 H VAL 67 H VAL 67 -0.315 9.344 7.354
430 HA VAL 67 HA VAL 67 -2.347 7.516 7.979
431 HB VAL 67 HB VAL 67 -0.956 7.942 5.330
432 HG11 VAL 67 1HG1 VAL 67 -3.286 6.300 6.153
433 HG12 VAL 67 2HG1 VAL 67 -3.388 7.161 4.615
434 HG13 VAL 67 3HG1 VAL 67 -2.082 6.010 4.899
435 HG21 VAL 67 3HG2 VAL 67 -1.860 10.011 5.875
436 HG22 VAL 67 1HG2 VAL 67 -3.148 9.257 4.936
437 HG23 VAL 67 2HG2 VAL 67 -3.249 9.299 6.697
438 H ALA 68 H ALA 68 1.015 7.064 7.689
439 HA ALA 68 HA ALA 68 1.468 4.617 6.646
440 HB1 ALA 68 1HB ALA 68 2.636 5.133 9.339
441 HB2 ALA 68 2HB ALA 68 3.405 4.524 7.872
442 HB3 ALA 68 3HB ALA 68 3.011 6.237 8.015
443 H MET 69 H MET 69 0.158 2.902 6.777
444 HA MET 69 HA MET 69 -0.951 1.109 7.631
445 HB3 MET 69 2HB MET 69 -0.197 0.145 9.636
446 HG3 MET 69 2HG MET 69 2.227 1.799 9.294
447 HE1 MET 69 3HE MET 69 0.545 -1.338 8.386
448 HE2 MET 69 1HE MET 69 1.902 -2.462 8.310
449 HE3 MET 69 2HE MET 69 0.903 -2.385 9.760
450 HA PRO 70 HA PRO 70 -4.196 3.918 9.294
451 HB3 PRO 70 2HB PRO 70 -5.031 4.222 7.175
452 HG3 PRO 70 2HG PRO 70 -4.652 2.653 5.501
453 HD3 PRO 70 2HD PRO 70 -2.498 2.936 6.274
454 H THR 71 H THR 71 -3.999 0.466 8.818
455 HA THR 71 HA THR 71 -5.066 -0.139 11.349
456 HB THR 71 HB THR 71 -7.199 0.520 10.245
457 HG1 THR 71 1HG THR 71 -7.216 -1.039 11.924
458 HG21 THR 71 3HG2 THR 71 -6.195 -0.858 8.071
459 HG22 THR 71 1HG2 THR 71 -7.849 -0.274 8.254
460 HG23 THR 71 2HG2 THR 71 -7.445 -1.933 8.696
461 H ASN 72 H ASN 72 -5.666 -2.595 11.443
462 HA ASN 72 HA ASN 72 -3.442 -4.086 10.815
463 HB3 ASN 72 2HB ASN 72 -6.234 -5.230 10.984
464 HD21 ASN 72 1HD2 ASN 72 -6.276 -7.331 11.900
465 HD22 ASN 72 2HD2 ASN 72 -4.908 -8.377 11.766
466 H PHE 73 H PHE 73 -2.783 -5.368 9.145
467 HA PHE 73 HA PHE 73 -4.424 -5.277 6.698
468 HB3 PHE 73 2HB PHE 73 -2.101 -5.541 5.556
469 HD1 PHE 73 2HD PHE 73 -4.208 -4.038 4.736
470 HD2 PHE 73 1HD PHE 73 -0.991 -2.736 7.201
471 HE1 PHE 73 2HE PHE 73 -4.618 -1.714 4.039
472 HE2 PHE 73 1HE PHE 73 -1.397 -0.410 6.508
473 HZ PHE 73 HZ PHE 73 -3.211 0.103 4.924
474 H ALA 74 H ALA 74 -2.770 -7.219 8.970
475 HA ALA 74 HA ALA 74 -2.100 -9.486 7.519
476 HB1 ALA 74 1HB ALA 74 -3.255 -9.536 10.298
477 HB2 ALA 74 2HB ALA 74 -2.120 -10.676 9.574
478 HB3 ALA 74 3HB ALA 74 -1.604 -9.029 9.939
479 H THR 75 H THR 75 -5.193 -8.197 8.199
480 HA THR 75 HA THR 75 -6.450 -10.665 7.188
481 HB THR 75 HB THR 75 -7.053 -10.388 9.530
482 HG1 THR 75 1HG THR 75 -9.004 -10.993 8.995
483 HG21 THR 75 3HG2 THR 75 -6.883 -7.700 9.076
484 HG22 THR 75 1HG2 THR 75 -7.611 -8.437 10.503
485 HG23 THR 75 2HG2 THR 75 -8.628 -7.942 9.149
486 H ALA 76 H ALA 76 -5.554 -7.827 6.158
487 HA ALA 76 HA ALA 76 -8.094 -7.105 4.866
488 HB1 ALA 76 1HB ALA 76 -7.251 -4.937 4.531
489 HB2 ALA 76 2HB ALA 76 -6.753 -5.378 6.165
490 HB3 ALA 76 3HB ALA 76 -5.591 -5.445 4.842
491 H THR 77 H THR 77 -7.725 -6.150 2.583
492 HA THR 77 HA THR 77 -5.913 -7.943 1.100
493 HB THR 77 HB THR 77 -7.654 -7.582 -0.801
494 HG1 THR 77 1HG THR 77 -9.271 -7.130 1.506
495 HG21 THR 77 3HG2 THR 77 -7.540 -9.474 1.417
496 HG22 THR 77 1HG2 THR 77 -7.723 -9.770 -0.311
497 HG23 THR 77 2HG2 THR 77 -9.135 -9.379 0.670
498 H VAL 78 H VAL 78 -5.444 -7.100 -1.157
499 HA VAL 78 HA VAL 78 -4.081 -4.690 -1.032
500 HB VAL 78 HB VAL 78 -3.762 -4.832 -3.389
501 HG11 VAL 78 1HG1 VAL 78 -2.485 -6.629 -3.131
502 HG12 VAL 78 2HG1 VAL 78 -3.390 -7.038 -1.673
503 HG13 VAL 78 3HG1 VAL 78 -3.896 -7.683 -3.235
504 HG21 VAL 78 3HG2 VAL 78 -6.014 -5.034 -4.167
505 HG22 VAL 78 1HG2 VAL 78 -5.109 -6.418 -4.777
506 HG23 VAL 78 2HG2 VAL 78 -6.196 -6.612 -3.402
507 H ARG 79 H ARG 79 -7.390 -5.347 -2.017
508 HA ARG 79 HA ARG 79 -7.940 -2.815 -3.146
509 HB3 ARG 79 2HB ARG 79 -9.946 -4.625 -1.806
510 HG3 ARG 79 2HG ARG 79 -10.839 -2.486 -2.593
511 HD3 ARG 79 2HD ARG 79 -9.160 -3.064 -4.859
512 HE ARG 79 HE ARG 79 -10.783 -3.434 -6.413
513 HH11 ARG 79 1HH1 ARG 79 -12.032 -1.241 -4.014
514 HH12 ARG 79 2HH1 ARG 79 -13.530 -0.981 -4.845
515 HH21 ARG 79 1HH2 ARG 79 -12.751 -3.099 -7.515
516 HH22 ARG 79 2HH2 ARG 79 -13.939 -2.038 -6.835
517 H GLU 80 H GLU 80 -8.214 -4.096 0.129
518 HA GLU 80 HA GLU 80 -9.567 -1.866 1.233
519 HB3 GLU 80 2HB GLU 80 -8.339 -2.865 3.389
520 HG3 GLU 80 2HG GLU 80 -10.276 -4.807 2.354
521 H MET 81 H MET 81 -6.133 -2.793 1.190
522 HA MET 81 HA MET 81 -5.180 -0.561 2.608
523 HB3 MET 81 2HB MET 81 -3.784 -2.280 0.551
524 HG3 MET 81 2HG MET 81 -2.447 -0.726 2.735
525 HE1 MET 81 3HE MET 81 -0.996 -2.345 3.454
526 HE2 MET 81 1HE MET 81 -1.324 -3.778 2.480
527 HE3 MET 81 2HE MET 81 0.312 -3.126 2.565
528 H ALA 82 H ALA 82 -5.585 -1.136 -0.865
529 HA ALA 82 HA ALA 82 -4.473 1.340 -1.692
530 HB1 ALA 82 1HB ALA 82 -5.000 0.707 -3.832
531 HB2 ALA 82 2HB ALA 82 -4.977 -0.863 -3.029
532 HB3 ALA 82 3HB ALA 82 -6.513 -0.059 -3.350
533 H GLU 83 H GLU 83 -7.790 0.254 -1.083
534 HA GLU 83 HA GLU 83 -9.047 2.652 -1.908
535 HB3 GLU 83 2HB GLU 83 -10.938 1.743 -0.390
536 HG3 GLU 83 2HG GLU 83 -11.295 -0.275 -1.931
537 H ALA 84 H ALA 84 -7.756 1.538 1.167
538 HA ALA 84 HA ALA 84 -8.840 3.570 2.794
539 HB1 ALA 84 1HB ALA 84 -8.030 2.051 4.219
540 HB2 ALA 84 2HB ALA 84 -6.833 1.467 3.061
541 HB3 ALA 84 3HB ALA 84 -6.494 2.899 4.034
542 H LEU 85 H LEU 85 -5.756 3.317 1.059
543 HA LEU 85 HA LEU 85 -4.734 5.802 1.986
544 HB3 LEU 85 2HB LEU 85 -3.139 5.536 0.058
545 HG LEU 85 HG LEU 85 -3.412 3.152 1.884
546 HD11 LEU 85 1HD1 LEU 85 -1.979 2.159 0.485
547 HD12 LEU 85 2HD1 LEU 85 -0.789 3.286 1.132
548 HD13 LEU 85 3HD1 LEU 85 -1.628 3.659 -0.373
549 HD21 LEU 85 3HD2 LEU 85 -2.778 5.729 2.505
550 HD22 LEU 85 1HD2 LEU 85 -1.189 5.030 2.197
551 HD23 LEU 85 2HD2 LEU 85 -2.249 4.310 3.409
552 H GLU 86 H GLU 86 -6.381 4.797 -0.990
553 HA GLU 86 HA GLU 86 -6.238 7.284 -2.302
554 HB3 GLU 86 2HB GLU 86 -7.015 4.839 -3.073
555 HG3 GLU 86 2HG GLU 86 -9.218 5.252 -1.773
556 H ALA 87 H ALA 87 -8.457 5.986 0.069
557 HA ALA 87 HA ALA 87 -10.512 7.905 -0.238
558 HB1 ALA 87 1HB ALA 87 -10.744 7.153 2.358
559 HB2 ALA 87 2HB ALA 87 -11.378 6.237 0.992
560 HB3 ALA 87 3HB ALA 87 -9.819 5.807 1.694
561 H ARG 88 H ARG 88 -7.643 7.764 1.830
562 HA ARG 88 HA ARG 88 -8.184 10.039 3.381
563 HB3 ARG 88 2HB ARG 88 -5.911 9.954 4.060
564 HG3 ARG 88 2HG ARG 88 -5.722 7.162 3.507
565 HD3 ARG 88 2HD ARG 88 -4.908 8.097 5.543
566 HE ARG 88 HE ARG 88 -6.105 9.824 6.422
567 HH11 ARG 88 1HH1 ARG 88 -8.305 7.251 5.614
568 HH12 ARG 88 2HH1 ARG 88 -9.687 8.043 6.298
569 HH21 ARG 88 1HH2 ARG 88 -7.916 10.877 7.325
570 HH22 ARG 88 2HH2 ARG 88 -9.465 10.105 7.270
571 H GLU 89 H GLU 89 -6.119 9.712 0.491
572 HA GLU 89 HA GLU 89 -5.540 12.456 0.249
573 HB3 GLU 89 2HB GLU 89 -5.031 11.810 -2.179
574 HG3 GLU 89 2HG GLU 89 -3.487 9.817 -0.810
575 H ARG 90 H ARG 90 -8.205 10.496 -0.891
576 HA ARG 90 HA ARG 90 -9.273 12.258 -2.793
577 HB3 ARG 90 2HB ARG 90 -10.645 10.226 -1.028
578 HG3 ARG 90 2HG ARG 90 -11.703 11.342 -3.609
579 HD3 ARG 90 2HD ARG 90 -12.420 9.167 -1.829
580 HE ARG 90 HE ARG 90 -14.344 10.092 -1.027
581 HH11 ARG 90 1HH1 ARG 90 -13.830 11.230 -4.278
582 HH12 ARG 90 2HH1 ARG 90 -15.349 12.059 -4.366
583 HH21 ARG 90 1HH2 ARG 90 -16.345 11.181 -1.132
584 HH22 ARG 90 2HH2 ARG 90 -16.778 12.031 -2.576
585 H GLU 91 H GLU 91 -9.331 12.300 0.669
586 HA GLU 91 HA GLU 91 -10.454 14.935 0.693
587 HB3 GLU 91 2HB GLU 91 -12.045 12.700 1.962
588 HG3 GLU 91 2HG GLU 91 -11.989 15.478 2.553
589 H ALA 92 H ALA 92 -8.182 14.878 1.576
590 HA ALA 92 HA ALA 92 -8.040 13.986 4.360
591 HB1 ALA 92 1HB ALA 92 -6.164 14.133 2.237
592 HB2 ALA 92 2HB ALA 92 -5.612 15.197 3.531
593 HB3 ALA 92 3HB ALA 92 -5.936 13.496 3.866
594 HA PRO 93 HA PRO 93 -8.403 17.980 6.140
595 HB3 PRO 93 2HB PRO 93 -8.062 16.995 8.188
596 HG3 PRO 93 2HG PRO 93 -6.530 15.265 8.445
597 HD3 PRO 93 2HD PRO 93 -7.715 14.479 6.630
598 H HIS 94 H HIS 94 -6.775 19.765 7.168
599 HA HIS 94 HA HIS 94 -5.017 20.480 4.940
600 HB3 HIS 94 2HB HIS 94 -6.635 22.172 5.487
601 HD1 HIS 94 1HD HIS 94 -4.562 22.714 8.594
602 HD2 HIS 94 2HD HIS 94 -8.503 21.990 7.497
603 HE1 HIS 94 1HE HIS 94 -5.911 23.016 10.695
604 H LEU 95 H LEU 95 -4.028 18.485 6.598
605 HA LEU 95 HA LEU 95 -2.097 19.808 8.356
606 HB3 LEU 95 2HB LEU 95 -1.770 16.978 8.311
607 HG LEU 95 HG LEU 95 -1.709 18.804 10.285
608 HD11 LEU 95 1HD1 LEU 95 -3.766 19.274 10.999
609 HD12 LEU 95 2HD1 LEU 95 -3.793 17.640 11.661
610 HD13 LEU 95 3HD1 LEU 95 -4.480 17.958 10.067
611 HD21 LEU 95 3HD2 LEU 95 -0.673 16.636 10.401
612 HD22 LEU 95 1HD2 LEU 95 -2.244 15.847 10.534
613 HD23 LEU 95 2HD2 LEU 95 -1.661 16.875 11.842
614 H GLU 96 H GLU 96 0.109 18.480 8.347
615 HA GLU 96 HA GLU 96 0.983 17.731 5.695
616 HB3 GLU 96 2HB GLU 96 2.548 19.945 6.952
617 HG3 GLU 96 2HG GLU 96 2.232 18.785 4.238
618 H HIS 97 H HIS 97 2.454 18.913 8.726
619 HA HIS 97 HA HIS 97 3.951 17.974 10.158
620 HB3 HIS 97 2HB HIS 97 3.824 15.206 9.513
621 HD1 HIS 97 1HD HIS 97 4.927 15.216 11.859
622 HD2 HIS 97 2HD HIS 97 1.027 16.644 11.800
623 HE1 HIS 97 1HE HIS 97 4.205 15.299 14.267
624 H HIS 98 H HIS 98 5.852 18.735 9.337
625 HA HIS 98 HA HIS 98 7.877 18.734 8.297
626 HB3 HIS 98 2HB HIS 98 8.108 15.899 7.753
627 HD1 HIS 98 1HD HIS 98 9.067 18.518 10.347
628 HD2 HIS 98 2HD HIS 98 10.758 15.484 8.067
629 HE1 HIS 98 1HE HIS 98 11.531 18.600 10.840
630 H HIS 99 H HIS 99 9.064 17.434 6.298
631 HA HIS 99 HA HIS 99 7.151 17.246 4.088
632 HB3 HIS 99 2HB HIS 99 9.571 18.633 3.273
633 HD1 HIS 99 1HD HIS 99 8.433 18.408 0.972
634 HD2 HIS 99 2HD HIS 99 6.208 20.546 3.755
635 HE1 HIS 99 1HE HIS 99 6.603 19.523 -0.344
636 H HIS 100 H HIS 100 7.470 15.342 3.164
637 HA HIS 100 HA HIS 100 10.034 14.001 3.391
638 HB3 HIS 100 2HB HIS 100 8.726 12.173 2.109
639 HD1 HIS 100 1HD HIS 100 8.761 13.902 5.356
640 HD2 HIS 100 2HD HIS 100 7.466 10.255 3.842
641 HE1 HIS 100 1HE HIS 100 8.373 12.439 7.365
642 H HIS 101 H HIS 101 11.243 13.227 1.618
643 HA HIS 101 HA HIS 101 10.584 13.846 -1.078
644 HB3 HIS 101 2HB HIS 101 11.132 16.111 -0.478
645 HD1 HIS 101 1HD HIS 101 14.593 14.621 -0.006
646 HD2 HIS 101 2HD HIS 101 11.923 17.178 1.891
647 HE1 HIS 101 1HE HIS 101 15.838 15.546 1.974
648 H HIS 102 H HIS 102 11.501 11.610 0.514
649 HA HIS 102 HA HIS 102 14.225 11.052 0.154
650 HB3 HIS 102 2HB HIS 102 12.026 8.985 0.143
651 HD1 HIS 102 1HD HIS 102 12.900 6.673 0.451
652 HD2 HIS 102 2HD HIS 102 15.782 9.559 1.240
653 HE1 HIS 102 1HE HIS 102 15.040 5.404 0.814
Start of MODEL 3
1 H1 MET 1 H MET 1 -12.207 -12.445 -14.598
2 HA MET 1 HA MET 1 -10.901 -10.024 -15.369
3 HB3 MET 1 2HB MET 1 -9.032 -11.054 -13.877
4 HG3 MET 1 2HG MET 1 -11.756 -10.298 -12.895
5 HE1 MET 1 3HE MET 1 -11.087 -8.726 -10.401
6 HE2 MET 1 1HE MET 1 -12.383 -9.921 -10.349
7 HE3 MET 1 2HE MET 1 -11.159 -9.892 -9.078
8 H ALA 2 H ALA 2 -10.295 -10.101 -17.503
9 HA ALA 2 HA ALA 2 -8.213 -12.078 -18.170
10 HB1 ALA 2 1HB ALA 2 -10.027 -12.730 -19.495
11 HB2 ALA 2 2HB ALA 2 -10.476 -11.062 -19.858
12 HB3 ALA 2 3HB ALA 2 -9.023 -11.761 -20.574
13 H ARG 3 H ARG 3 -9.502 -9.109 -19.665
14 HA ARG 3 HA ARG 3 -6.743 -8.170 -19.997
15 HB3 ARG 3 2HB ARG 3 -7.921 -6.452 -21.517
16 HG3 ARG 3 2HG ARG 3 -6.677 -8.550 -22.281
17 HD3 ARG 3 2HD ARG 3 -9.477 -9.507 -22.163
18 HE ARG 3 HE ARG 3 -8.006 -10.908 -24.171
19 HH11 ARG 3 1HH1 ARG 3 -10.132 -8.209 -23.608
20 HH12 ARG 3 2HH1 ARG 3 -10.754 -8.194 -25.224
21 HH21 ARG 3 1HH2 ARG 3 -8.818 -10.898 -26.302
22 HH22 ARG 3 2HH2 ARG 3 -10.005 -9.724 -26.756
23 H ALA 4 H ALA 4 -8.062 -8.034 -17.435
24 HA ALA 4 HA ALA 4 -8.789 -5.249 -17.063
25 HB1 ALA 4 1HB ALA 4 -10.113 -6.586 -15.730
26 HB2 ALA 4 2HB ALA 4 -8.787 -7.677 -15.323
27 HB3 ALA 4 3HB ALA 4 -8.866 -6.073 -14.594
28 H ASP 5 H ASP 5 -6.030 -7.309 -16.665
29 HA ASP 5 HA ASP 5 -4.584 -5.115 -15.331
30 HB3 ASP 5 2HB ASP 5 -4.268 -6.815 -13.834
31 H ASP 6 H ASP 6 -3.593 -7.942 -17.254
32 HA ASP 6 HA ASP 6 -2.205 -8.156 -19.044
33 HB3 ASP 6 2HB ASP 6 -2.937 -5.293 -19.678
34 H THR 7 H THR 7 -0.180 -7.262 -20.074
35 HA THR 7 HA THR 7 1.815 -6.866 -18.260
36 HB THR 7 HB THR 7 2.887 -5.503 -20.329
37 HG1 THR 7 1HG THR 7 1.473 -5.482 -21.904
38 HG21 THR 7 3HG2 THR 7 2.879 -8.164 -19.374
39 HG22 THR 7 1HG2 THR 7 4.098 -7.372 -20.372
40 HG23 THR 7 2HG2 THR 7 2.767 -8.244 -21.132
41 H ALA 8 H ALA 8 3.165 -4.997 -17.774
42 HA ALA 8 HA ALA 8 3.509 -2.886 -16.994
43 HB1 ALA 8 1HB ALA 8 1.358 -1.606 -18.524
44 HB2 ALA 8 2HB ALA 8 3.079 -1.226 -18.442
45 HB3 ALA 8 3HB ALA 8 2.511 -2.524 -19.492
46 H LEU 9 H LEU 9 1.699 -0.776 -16.555
47 HA LEU 9 HA LEU 9 0.541 -1.569 -14.110
48 HB3 LEU 9 2HB LEU 9 -0.671 0.720 -14.414
49 HG LEU 9 HG LEU 9 1.284 2.042 -13.840
50 HD11 LEU 9 1HD1 LEU 9 1.452 -0.672 -12.545
51 HD12 LEU 9 2HD1 LEU 9 0.236 0.544 -12.160
52 HD13 LEU 9 3HD1 LEU 9 1.941 0.874 -11.852
53 HD21 LEU 9 3HD2 LEU 9 2.720 0.732 -15.567
54 HD22 LEU 9 1HD2 LEU 9 3.045 -0.344 -14.207
55 HD23 LEU 9 2HD2 LEU 9 3.474 1.364 -14.103
56 HA PRO 10 HA PRO 10 -3.413 -3.107 -15.248
57 HB3 PRO 10 2HB PRO 10 -3.684 -3.673 -13.037
58 HG3 PRO 10 2HG PRO 10 -2.861 -2.312 -11.341
59 HD3 PRO 10 2HD PRO 10 -0.982 -2.475 -12.667
60 H ALA 11 H ALA 11 -3.248 0.248 -14.139
61 HA ALA 11 HA ALA 11 -4.694 1.256 -16.329
62 HB1 ALA 11 1HB ALA 11 -6.451 1.856 -14.111
63 HB2 ALA 11 2HB ALA 11 -6.833 1.238 -15.718
64 HB3 ALA 11 3HB ALA 11 -6.373 0.123 -14.431
65 H ALA 12 H ALA 12 -5.558 3.602 -15.703
66 HA ALA 12 HA ALA 12 -3.256 4.962 -14.607
67 HB1 ALA 12 1HB ALA 12 -3.892 6.272 -16.310
68 HB2 ALA 12 2HB ALA 12 -5.551 5.675 -16.280
69 HB3 ALA 12 3HB ALA 12 -5.047 6.937 -15.155
70 H THR 13 H THR 13 -5.839 3.559 -13.206
71 HA THR 13 HA THR 13 -7.217 5.096 -11.552
72 HB THR 13 HB THR 13 -7.541 2.941 -10.918
73 HG1 THR 13 1HG THR 13 -7.171 3.832 -8.928
74 HG21 THR 13 3HG2 THR 13 -5.386 1.471 -10.409
75 HG22 THR 13 1HG2 THR 13 -4.638 2.645 -11.492
76 HG23 THR 13 2HG2 THR 13 -6.005 1.677 -12.048
77 H GLY 14 H GLY 14 -3.938 4.075 -10.561
78 HA2 GLY 14 2HA GLY 14 -2.305 5.747 -9.880
79 HA3 GLY 14 3HA GLY 14 -3.639 6.704 -9.253
80 H ALA 15 H ALA 15 -4.705 5.995 -7.325
81 HA ALA 15 HA ALA 15 -2.943 5.093 -5.329
82 HB1 ALA 15 1HB ALA 15 -4.795 5.209 -3.833
83 HB2 ALA 15 2HB ALA 15 -4.955 6.539 -4.980
84 HB3 ALA 15 3HB ALA 15 -5.950 5.094 -5.161
85 H LEU 16 H LEU 16 -5.458 3.434 -7.174
86 HA LEU 16 HA LEU 16 -5.347 1.003 -5.719
87 HB3 LEU 16 2HB LEU 16 -6.095 0.893 -8.569
88 HG LEU 16 HG LEU 16 -8.117 -0.171 -7.817
89 HD11 LEU 16 1HD1 LEU 16 -5.638 -1.242 -7.615
90 HD12 LEU 16 2HD1 LEU 16 -7.136 -2.141 -7.376
91 HD13 LEU 16 3HD1 LEU 16 -6.256 -1.511 -5.984
92 HD21 LEU 16 3HD2 LEU 16 -7.185 0.601 -5.058
93 HD22 LEU 16 1HD2 LEU 16 -8.466 -0.569 -5.374
94 HD23 LEU 16 2HD2 LEU 16 -8.662 1.110 -5.878
95 H GLU 17 H GLU 17 -3.828 2.083 -8.740
96 HA GLU 17 HA GLU 17 -2.471 -0.370 -9.221
97 HB3 GLU 17 2HB GLU 17 -3.014 1.444 -10.920
98 HG3 GLU 17 2HG GLU 17 -0.555 2.678 -9.706
99 H LEU 18 H LEU 18 -1.680 2.572 -7.490
100 HA LEU 18 HA LEU 18 1.087 2.157 -7.208
101 HB3 LEU 18 2HB LEU 18 -0.733 3.522 -5.234
102 HG LEU 18 HG LEU 18 2.198 3.694 -5.723
103 HD11 LEU 18 1HD1 LEU 18 0.508 5.975 -5.821
104 HD12 LEU 18 2HD1 LEU 18 2.270 5.905 -5.832
105 HD13 LEU 18 3HD1 LEU 18 1.401 6.008 -4.301
106 HD21 LEU 18 3HD2 LEU 18 0.563 2.872 -3.641
107 HD22 LEU 18 1HD2 LEU 18 1.151 4.455 -3.133
108 HD23 LEU 18 2HD2 LEU 18 2.298 3.184 -3.558
109 H VAL 19 H VAL 19 -1.585 1.410 -4.970
110 HA VAL 19 HA VAL 19 0.001 0.132 -3.028
111 HB VAL 19 HB VAL 19 -2.913 0.180 -3.649
112 HG11 VAL 19 1HG1 VAL 19 -3.276 -1.383 -1.703
113 HG12 VAL 19 2HG1 VAL 19 -2.684 -2.135 -3.187
114 HG13 VAL 19 3HG1 VAL 19 -1.576 -1.827 -1.849
115 HG21 VAL 19 3HG2 VAL 19 -2.687 1.819 -2.150
116 HG22 VAL 19 1HG2 VAL 19 -2.492 0.546 -0.945
117 HG23 VAL 19 2HG2 VAL 19 -1.072 1.281 -1.689
118 H ARG 20 H ARG 20 -1.990 -1.230 -5.650
119 HA ARG 20 HA ARG 20 -1.422 -3.921 -5.173
120 HB3 ARG 20 2HB ARG 20 -1.824 -4.020 -7.790
121 HG3 ARG 20 2HG ARG 20 -3.927 -3.178 -5.809
122 HD3 ARG 20 2HD ARG 20 -4.515 -2.789 -8.241
123 HE ARG 20 HE ARG 20 -3.808 -5.562 -8.472
124 HH11 ARG 20 1HH1 ARG 20 -5.822 -3.014 -9.727
125 HH12 ARG 20 2HH1 ARG 20 -6.010 -3.752 -11.282
126 HH21 ARG 20 1HH2 ARG 20 -4.050 -6.544 -10.517
127 HH22 ARG 20 2HH2 ARG 20 -5.003 -5.760 -11.731
128 H HIS 21 H HIS 21 0.312 -1.506 -7.073
129 HA HIS 21 HA HIS 21 2.172 -3.249 -8.271
130 HB3 HIS 21 2HB HIS 21 2.542 -0.332 -7.551
131 HD1 HIS 21 1HD HIS 21 4.000 -3.240 -9.394
132 HD2 HIS 21 2HD HIS 21 4.630 0.847 -8.995
133 HE1 HIS 21 1HE HIS 21 6.239 -2.799 -10.451
134 H LEU 22 H LEU 22 2.523 -1.146 -5.411
135 HA LEU 22 HA LEU 22 5.080 -1.956 -4.674
136 HB3 LEU 22 2HB LEU 22 4.410 -1.225 -2.371
137 HG LEU 22 HG LEU 22 3.517 0.760 -4.459
138 HD11 LEU 22 1HD1 LEU 22 2.917 1.666 -2.418
139 HD12 LEU 22 2HD1 LEU 22 4.544 2.305 -2.652
140 HD13 LEU 22 3HD1 LEU 22 4.282 0.934 -1.573
141 HD21 LEU 22 3HD2 LEU 22 6.127 1.323 -3.644
142 HD22 LEU 22 1HD2 LEU 22 5.604 0.727 -5.221
143 HD23 LEU 22 2HD2 LEU 22 6.103 -0.411 -3.969
144 H VAL 23 H VAL 23 1.950 -3.406 -4.000
145 HA VAL 23 HA VAL 23 2.914 -5.313 -2.111
146 HB VAL 23 HB VAL 23 0.361 -4.826 -3.525
147 HG11 VAL 23 1HG1 VAL 23 -0.468 -7.080 -2.644
148 HG12 VAL 23 2HG1 VAL 23 0.476 -7.083 -4.135
149 HG13 VAL 23 3HG1 VAL 23 1.231 -7.549 -2.610
150 HG21 VAL 23 3HG2 VAL 23 1.280 -4.350 -1.028
151 HG22 VAL 23 1HG2 VAL 23 -0.429 -4.506 -1.438
152 HG23 VAL 23 2HG2 VAL 23 0.450 -5.887 -0.780
153 H ALA 24 H ALA 24 2.026 -5.524 -5.552
154 HA ALA 24 HA ALA 24 2.575 -8.226 -5.937
155 HB1 ALA 24 1HB ALA 24 3.010 -7.500 -8.352
156 HB2 ALA 24 2HB ALA 24 1.424 -7.149 -7.662
157 HB3 ALA 24 3HB ALA 24 2.632 -5.870 -7.793
158 H GLU 25 H GLU 25 4.721 -5.418 -6.355
159 HA GLU 25 HA GLU 25 6.983 -6.883 -7.175
160 HB3 GLU 25 2HB GLU 25 8.260 -4.849 -6.557
161 HG3 GLU 25 2HG GLU 25 6.015 -3.462 -7.716
162 H ARG 26 H ARG 26 5.596 -6.279 -4.058
163 HA ARG 26 HA ARG 26 7.959 -6.965 -2.568
164 HB3 ARG 26 2HB ARG 26 6.154 -7.131 -0.678
165 HG3 ARG 26 2HG ARG 26 5.853 -4.472 -0.983
166 HD3 ARG 26 2HD ARG 26 7.171 -5.953 0.717
167 HE ARG 26 HE ARG 26 9.114 -5.903 -1.205
168 HH11 ARG 26 1HH1 ARG 26 8.843 -4.761 2.073
169 HH12 ARG 26 2HH1 ARG 26 10.531 -4.950 2.416
170 HH21 ARG 26 1HH2 ARG 26 11.338 -6.156 -0.766
171 HH22 ARG 26 2HH2 ARG 26 11.949 -5.743 0.800
172 H ALA 27 H ALA 27 5.191 -8.636 -3.855
173 HA ALA 27 HA ALA 27 5.751 -11.053 -2.334
174 HB1 ALA 27 1HB ALA 27 3.834 -11.845 -4.013
175 HB2 ALA 27 2HB ALA 27 3.494 -10.958 -2.526
176 HB3 ALA 27 3HB ALA 27 3.548 -10.105 -4.069
177 H GLU 28 H GLU 28 7.367 -9.738 -4.699
178 HA GLU 28 HA GLU 28 8.777 -10.489 -6.318
179 HB3 GLU 28 2HB GLU 28 8.227 -13.349 -5.738
180 HG3 GLU 28 2HG GLU 28 10.228 -12.122 -7.046
181 H LEU 29 H LEU 29 5.869 -10.212 -6.787
182 HA LEU 29 HA LEU 29 5.711 -11.867 -9.215
183 HB3 LEU 29 2HB LEU 29 3.141 -11.616 -8.782
184 HG LEU 29 HG LEU 29 4.770 -13.585 -7.176
185 HD11 LEU 29 1HD1 LEU 29 2.519 -13.325 -6.260
186 HD12 LEU 29 2HD1 LEU 29 2.724 -14.894 -7.037
187 HD13 LEU 29 3HD1 LEU 29 1.833 -13.613 -7.859
188 HD21 LEU 29 3HD2 LEU 29 5.151 -13.748 -9.572
189 HD22 LEU 29 1HD2 LEU 29 3.411 -13.809 -9.860
190 HD23 LEU 29 2HD2 LEU 29 4.208 -15.126 -9.000
191 HA PRO 30 HA PRO 30 4.945 -8.178 -11.465
192 HB3 PRO 30 2HB PRO 30 4.898 -9.471 -13.364
193 HG3 PRO 30 2HG PRO 30 3.930 -11.586 -13.352
194 HD3 PRO 30 2HD PRO 30 5.295 -11.762 -11.502
195 H VAL 31 H VAL 31 3.540 -6.453 -11.643
196 HA VAL 31 HA VAL 31 1.343 -6.387 -9.832
197 HB VAL 31 HB VAL 31 2.696 -4.395 -10.248
198 HG11 VAL 31 1HG1 VAL 31 2.865 -5.018 -12.776
199 HG12 VAL 31 2HG1 VAL 31 1.416 -4.021 -12.919
200 HG13 VAL 31 3HG1 VAL 31 2.906 -3.327 -12.278
201 HG21 VAL 31 3HG2 VAL 31 0.962 -3.059 -9.783
202 HG22 VAL 31 1HG2 VAL 31 0.181 -3.391 -11.329
203 HG23 VAL 31 2HG2 VAL 31 -0.036 -4.500 -9.975
204 H GLU 32 H GLU 32 1.635 -7.405 -13.042
205 HA GLU 32 HA GLU 32 -1.050 -6.723 -13.858
206 HB3 GLU 32 2HB GLU 32 0.940 -6.916 -15.418
207 HG3 GLU 32 2HG GLU 32 1.089 -9.519 -14.380
208 H VAL 33 H VAL 33 0.489 -9.273 -12.172
209 HA VAL 33 HA VAL 33 -1.786 -11.078 -12.618
210 HB VAL 33 HB VAL 33 0.751 -11.769 -12.795
211 HG11 VAL 33 1HG1 VAL 33 0.304 -12.442 -9.911
212 HG12 VAL 33 2HG1 VAL 33 1.806 -12.446 -10.838
213 HG13 VAL 33 3HG1 VAL 33 1.057 -10.917 -10.377
214 HG21 VAL 33 3HG2 VAL 33 -0.887 -13.700 -11.232
215 HG22 VAL 33 1HG2 VAL 33 -1.507 -13.134 -12.783
216 HG23 VAL 33 2HG2 VAL 33 0.055 -13.948 -12.702
217 H LEU 34 H LEU 34 -0.826 -8.729 -10.514
218 HA LEU 34 HA LEU 34 -1.424 -9.910 -8.001
219 HB3 LEU 34 2HB LEU 34 -1.843 -7.004 -8.418
220 HG LEU 34 HG LEU 34 -0.274 -6.798 -6.488
221 HD11 LEU 34 1HD1 LEU 34 -1.893 -7.690 -4.817
222 HD12 LEU 34 2HD1 LEU 34 -2.772 -8.447 -6.147
223 HD13 LEU 34 3HD1 LEU 34 -2.625 -6.691 -6.073
224 HD21 LEU 34 3HD2 LEU 34 0.430 -8.682 -5.261
225 HD22 LEU 34 1HD2 LEU 34 0.798 -9.051 -6.946
226 HD23 LEU 34 2HD2 LEU 34 -0.616 -9.769 -6.176
227 H ARG 35 H ARG 35 -3.336 -10.519 -7.258
228 HA ARG 35 HA ARG 35 -5.764 -9.764 -8.611
229 HB3 ARG 35 2HB ARG 35 -6.045 -11.168 -6.054
230 HG3 ARG 35 2HG ARG 35 -7.656 -11.042 -8.092
231 HD3 ARG 35 2HD ARG 35 -7.283 -13.368 -9.291
232 HE ARG 35 HE ARG 35 -6.897 -10.788 -10.146
233 HH11 ARG 35 1HH1 ARG 35 -5.501 -13.899 -10.845
234 HH12 ARG 35 2HH1 ARG 35 -5.109 -13.500 -12.484
235 HH21 ARG 35 1HH2 ARG 35 -6.386 -10.250 -12.304
236 HH22 ARG 35 2HH2 ARG 35 -5.612 -11.425 -13.312
237 H ASP 36 H ASP 36 -7.465 -8.564 -7.793
238 HA ASP 36 HA ASP 36 -6.757 -6.453 -6.009
239 HB3 ASP 36 2HB ASP 36 -9.064 -5.678 -6.347
240 H ASP 37 H ASP 37 -8.333 -9.518 -5.664
241 HA ASP 37 HA ASP 37 -9.248 -8.842 -2.964
242 HB3 ASP 37 2HB ASP 37 -10.438 -11.006 -3.049
243 H SER 38 H SER 38 -6.406 -9.429 -3.967
244 HA SER 38 HA SER 38 -5.657 -11.862 -2.646
245 HB3 SER 38 2HB SER 38 -4.489 -10.336 -4.579
246 HG SER 38 HG SER 38 -2.875 -9.982 -2.280
247 H ARG 39 H ARG 39 -5.011 -12.163 -0.603
248 HA ARG 39 HA ARG 39 -5.198 -9.931 1.237
249 HB3 ARG 39 2HB ARG 39 -5.190 -11.552 2.978
250 HG3 ARG 39 2HG ARG 39 -6.508 -13.354 1.081
251 HD3 ARG 39 2HD ARG 39 -6.719 -12.786 3.736
252 HE ARG 39 HE ARG 39 -8.232 -10.772 2.655
253 HH11 ARG 39 1HH1 ARG 39 -8.840 -13.548 4.665
254 HH12 ARG 39 2HH1 ARG 39 -10.176 -12.818 5.493
255 HH21 ARG 39 1HH2 ARG 39 -9.989 -9.801 3.738
256 HH22 ARG 39 2HH2 ARG 39 -10.829 -10.687 4.965
257 H PHE 40 H PHE 40 -3.547 -9.541 2.874
258 HA PHE 40 HA PHE 40 -0.905 -9.543 1.679
259 HB3 PHE 40 2HB PHE 40 -0.290 -8.040 3.488
260 HD1 PHE 40 1HD PHE 40 -0.664 -7.214 0.962
261 HD2 PHE 40 2HD PHE 40 -3.452 -6.801 4.152
262 HE1 PHE 40 1HE PHE 40 -1.731 -5.336 -0.217
263 HE2 PHE 40 2HE PHE 40 -4.523 -4.924 2.978
264 HZ PHE 40 HZ PHE 40 -3.664 -4.190 0.790
265 H LEU 41 H LEU 41 -2.208 -12.022 2.776
266 HA LEU 41 HA LEU 41 0.131 -13.030 4.129
267 HB3 LEU 41 2HB LEU 41 -1.576 -14.040 5.898
268 HG LEU 41 HG LEU 41 -0.453 -11.255 6.211
269 HD11 LEU 41 1HD1 LEU 41 -0.542 -11.990 8.675
270 HD12 LEU 41 2HD1 LEU 41 -1.734 -13.168 8.129
271 HD13 LEU 41 3HD1 LEU 41 -2.034 -11.445 7.907
272 HD21 LEU 41 3HD2 LEU 41 1.532 -12.164 6.741
273 HD22 LEU 41 1HD2 LEU 41 0.953 -13.533 5.793
274 HD23 LEU 41 2HD2 LEU 41 0.801 -13.551 7.550
275 H ASP 42 H ASP 42 -3.200 -13.625 3.096
276 HA ASP 42 HA ASP 42 -3.095 -16.423 3.023
277 HB3 ASP 42 2HB ASP 42 -4.681 -14.694 1.122
278 H ASP 43 H ASP 43 -2.550 -14.072 0.403
279 HA ASP 43 HA ASP 43 -1.195 -16.203 -1.111
280 HB3 ASP 43 2HB ASP 43 -1.633 -14.044 -2.837
281 H LEU 44 H LEU 44 -1.066 -12.661 -0.688
282 HA LEU 44 HA LEU 44 1.516 -12.299 -1.672
283 HB3 LEU 44 2HB LEU 44 1.493 -10.160 -0.572
284 HG LEU 44 HG LEU 44 -1.275 -10.882 -1.520
285 HD11 LEU 44 1HD1 LEU 44 -1.561 -8.391 -1.711
286 HD12 LEU 44 2HD1 LEU 44 -0.141 -8.225 -0.679
287 HD13 LEU 44 3HD1 LEU 44 -1.584 -9.034 -0.068
288 HD21 LEU 44 3HD2 LEU 44 0.290 -11.008 -3.293
289 HD22 LEU 44 1HD2 LEU 44 1.102 -9.530 -2.777
290 HD23 LEU 44 2HD2 LEU 44 -0.523 -9.450 -3.458
291 H HIS 45 H HIS 45 0.426 -13.532 1.365
292 HA HIS 45 HA HIS 45 1.500 -14.177 3.275
293 HB3 HIS 45 2HB HIS 45 3.874 -14.712 1.497
294 HD1 HIS 45 1HD HIS 45 1.786 -16.923 3.759
295 HD2 HIS 45 2HD HIS 45 5.647 -15.422 3.441
296 HE1 HIS 45 1HE HIS 45 3.104 -18.067 5.571
297 H MET 46 H MET 46 1.498 -11.691 3.611
298 HA MET 46 HA MET 46 4.281 -10.845 4.088
299 HB3 MET 46 2HB MET 46 3.706 -8.590 3.630
300 HG3 MET 46 2HG MET 46 2.006 -9.289 1.468
301 HE1 MET 46 3HE MET 46 2.208 -7.600 0.084
302 HE2 MET 46 1HE MET 46 3.648 -6.832 -0.587
303 HE3 MET 46 2HE MET 46 3.191 -8.455 -1.107
304 H SER 47 H SER 47 4.620 -11.184 6.197
305 HA SER 47 HA SER 47 2.716 -11.271 8.216
306 HB3 SER 47 2HB SER 47 4.592 -11.052 9.786
307 HG SER 47 HG SER 47 4.456 -13.053 8.812
308 H SER 48 H SER 48 2.469 -9.784 10.064
309 HA SER 48 HA SER 48 1.455 -7.340 9.376
310 HB3 SER 48 2HB SER 48 2.781 -7.566 12.046
311 HG SER 48 HG SER 48 0.276 -7.067 12.311
312 H ILE 49 H ILE 49 4.772 -8.104 10.302
313 HA ILE 49 HA ILE 49 5.657 -5.384 10.304
314 HB ILE 49 HB ILE 49 7.229 -7.960 10.174
315 HG13 ILE 49 2HG1 ILE 49 7.702 -7.450 12.559
316 HG21 ILE 49 1HG2 ILE 49 8.744 -5.798 11.222
317 HG22 ILE 49 2HG2 ILE 49 9.055 -6.767 9.783
318 HG23 ILE 49 3HG2 ILE 49 8.077 -5.305 9.666
319 HD11 ILE 49 3HD1 ILE 49 6.934 -4.932 12.138
320 HD12 ILE 49 1HD1 ILE 49 5.414 -5.598 12.734
321 HD13 ILE 49 2HD1 ILE 49 6.871 -5.707 13.721
322 H THR 50 H THR 50 5.760 -8.048 7.984
323 HA THR 50 HA THR 50 7.375 -6.799 6.051
324 HB THR 50 HB THR 50 5.218 -8.882 5.651
325 HG1 THR 50 1HG THR 50 6.841 -10.341 5.957
326 HG21 THR 50 3HG2 THR 50 6.060 -7.532 3.617
327 HG22 THR 50 1HG2 THR 50 6.069 -9.292 3.516
328 HG23 THR 50 2HG2 THR 50 7.568 -8.420 3.843
329 H VAL 51 H VAL 51 3.888 -6.755 6.591
330 HA VAL 51 HA VAL 51 3.155 -5.440 4.212
331 HB VAL 51 HB VAL 51 1.693 -5.088 6.818
332 HG11 VAL 51 1HG1 VAL 51 0.987 -5.007 3.913
333 HG12 VAL 51 2HG1 VAL 51 -0.247 -5.383 5.117
334 HG13 VAL 51 3HG1 VAL 51 0.617 -3.847 5.188
335 HG21 VAL 51 3HG2 VAL 51 0.676 -7.317 5.371
336 HG22 VAL 51 1HG2 VAL 51 2.402 -7.564 5.636
337 HG23 VAL 51 2HG2 VAL 51 1.332 -7.271 7.007
338 H GLY 52 H GLY 52 3.806 -4.161 7.473
339 HA2 GLY 52 2HA GLY 52 3.339 -1.464 6.919
340 HA3 GLY 52 3HA GLY 52 4.407 -2.062 8.179
341 H GLN 53 H GLN 53 6.087 -3.467 6.161
342 HA GLN 53 HA GLN 53 7.990 -1.428 5.761
343 HB3 GLN 53 2HB GLN 53 9.255 -3.090 4.512
344 HG3 GLN 53 2HG GLN 53 8.476 -5.143 6.211
345 HE21 GLN 53 1HE2 GLN 53 10.603 -5.607 5.637
346 HE22 GLN 53 2HE2 GLN 53 11.946 -4.816 6.382
347 H LEU 54 H LEU 54 5.796 -3.068 3.496
348 HA LEU 54 HA LEU 54 6.597 -1.361 1.310
349 HB3 LEU 54 2HB LEU 54 5.768 -3.838 1.271
350 HG LEU 54 HG LEU 54 3.417 -3.018 2.169
351 HD11 LEU 54 1HD1 LEU 54 3.408 -1.535 -0.041
352 HD12 LEU 54 2HD1 LEU 54 1.936 -2.213 0.654
353 HD13 LEU 54 3HD1 LEU 54 2.718 -3.014 -0.708
354 HD21 LEU 54 3HD2 LEU 54 2.574 -4.893 0.362
355 HD22 LEU 54 1HD2 LEU 54 3.333 -5.238 1.916
356 HD23 LEU 54 2HD2 LEU 54 4.309 -5.203 0.447
357 H VAL 55 H VAL 55 3.978 -1.558 3.619
358 HA VAL 55 HA VAL 55 2.120 0.128 2.387
359 HB VAL 55 HB VAL 55 2.124 -1.257 4.704
360 HG11 VAL 55 1HG1 VAL 55 2.172 0.099 6.607
361 HG12 VAL 55 2HG1 VAL 55 3.569 0.632 5.667
362 HG13 VAL 55 3HG1 VAL 55 2.085 1.585 5.662
363 HG21 VAL 55 3HG2 VAL 55 -0.047 -0.204 5.169
364 HG22 VAL 55 1HG2 VAL 55 0.344 1.082 4.027
365 HG23 VAL 55 2HG2 VAL 55 0.152 -0.576 3.457
366 H ASN 56 H ASN 56 5.074 0.835 4.089
367 HA ASN 56 HA ASN 56 4.558 3.581 4.600
368 HB3 ASN 56 2HB ASN 56 7.295 3.401 4.433
369 HD21 ASN 56 1HD2 ASN 56 6.989 1.367 6.891
370 HD22 ASN 56 2HD2 ASN 56 6.557 2.454 8.163
371 H GLU 57 H GLU 57 6.156 1.850 1.960
372 HA GLU 57 HA GLU 57 7.088 4.095 0.556
373 HB3 GLU 57 2HB GLU 57 6.199 1.716 -0.988
374 HG3 GLU 57 2HG GLU 57 7.589 3.350 -2.093
375 H ALA 58 H ALA 58 3.981 2.459 0.568
376 HA ALA 58 HA ALA 58 2.856 3.656 -1.706
377 HB1 ALA 58 1HB ALA 58 1.836 2.235 0.670
378 HB2 ALA 58 2HB ALA 58 0.683 3.266 -0.178
379 HB3 ALA 58 3HB ALA 58 1.509 1.970 -1.043
380 H ALA 59 H ALA 59 2.609 4.598 1.723
381 HA ALA 59 HA ALA 59 1.066 6.899 1.340
382 HB1 ALA 59 1HB ALA 59 2.567 5.692 3.501
383 HB2 ALA 59 2HB ALA 59 2.656 7.453 3.542
384 HB3 ALA 59 3HB ALA 59 1.087 6.648 3.551
385 H ARG 60 H ARG 60 4.537 6.380 1.146
386 HA ARG 60 HA ARG 60 5.386 9.045 1.144
387 HB3 ARG 60 2HB ARG 60 6.779 7.088 -0.615
388 HG3 ARG 60 2HG ARG 60 7.564 9.448 0.393
389 HD3 ARG 60 2HD ARG 60 7.584 7.779 2.638
390 HE ARG 60 HE ARG 60 9.670 6.832 2.488
391 HH11 ARG 60 1HH1 ARG 60 9.840 10.177 1.535
392 HH12 ARG 60 2HH1 ARG 60 11.571 10.211 1.487
393 HH21 ARG 60 1HH2 ARG 60 11.950 6.864 2.428
394 HH22 ARG 60 2HH2 ARG 60 12.770 8.326 1.995
395 H ALA 61 H ALA 61 4.436 6.939 -1.551
396 HA ALA 61 HA ALA 61 4.890 8.883 -3.572
397 HB1 ALA 61 1HB ALA 61 3.295 7.294 -4.876
398 HB2 ALA 61 2HB ALA 61 4.897 6.730 -4.399
399 HB3 ALA 61 3HB ALA 61 3.479 6.253 -3.464
400 H MET 62 H MET 62 2.052 7.915 -1.705
401 HA MET 62 HA MET 62 0.207 9.530 -3.146
402 HB3 MET 62 2HB MET 62 -1.308 9.104 -1.237
403 HG3 MET 62 2HG MET 62 -1.393 6.680 -1.320
404 HE1 MET 62 3HE MET 62 -3.293 8.113 -2.351
405 HE2 MET 62 1HE MET 62 -3.704 7.852 -4.047
406 HE3 MET 62 2HE MET 62 -3.537 6.475 -2.960
407 H GLY 63 H GLY 63 2.520 10.170 -0.683
408 HA2 GLY 63 2HA GLY 63 3.234 12.296 -0.013
409 HA3 GLY 63 3HA GLY 63 1.775 12.982 -0.712
410 H LEU 64 H LEU 64 1.791 10.290 1.537
411 HA LEU 64 HA LEU 64 0.159 11.865 3.368
412 HB3 LEU 64 2HB LEU 64 -0.500 9.831 4.349
413 HG LEU 64 HG LEU 64 -0.081 8.833 1.551
414 HD11 LEU 64 1HD1 LEU 64 -2.529 8.612 3.262
415 HD12 LEU 64 2HD1 LEU 64 -1.176 7.499 3.456
416 HD13 LEU 64 3HD1 LEU 64 -2.021 7.599 1.912
417 HD21 LEU 64 3HD2 LEU 64 -2.478 10.092 1.427
418 HD22 LEU 64 1HD2 LEU 64 -0.963 10.769 0.829
419 HD23 LEU 64 2HD2 LEU 64 -1.558 11.217 2.428
420 H SER 65 H SER 65 0.679 10.588 5.763
421 HA SER 65 HA SER 65 3.497 10.727 6.359
422 HB3 SER 65 2HB SER 65 1.592 12.884 7.261
423 HG SER 65 HG SER 65 2.587 12.894 9.101
424 H ALA 66 H ALA 66 0.670 11.409 8.393
425 HA ALA 66 HA ALA 66 1.454 9.375 10.268
426 HB1 ALA 66 1HB ALA 66 -0.633 10.077 11.466
427 HB2 ALA 66 2HB ALA 66 0.526 11.374 11.169
428 HB3 ALA 66 3HB ALA 66 -0.915 11.230 10.161
429 H VAL 67 H VAL 67 -0.393 9.415 7.442
430 HA VAL 67 HA VAL 67 -2.437 7.583 8.026
431 HB VAL 67 HB VAL 67 -1.006 7.985 5.395
432 HG11 VAL 67 1HG1 VAL 67 -3.486 6.518 6.181
433 HG12 VAL 67 2HG1 VAL 67 -3.376 7.262 4.584
434 HG13 VAL 67 3HG1 VAL 67 -2.202 6.038 5.073
435 HG21 VAL 67 3HG2 VAL 67 -1.836 10.088 5.899
436 HG22 VAL 67 1HG2 VAL 67 -3.163 9.369 4.986
437 HG23 VAL 67 2HG2 VAL 67 -3.242 9.443 6.746
438 H ALA 68 H ALA 68 0.927 7.145 7.808
439 HA ALA 68 HA ALA 68 1.384 4.690 6.757
440 HB1 ALA 68 1HB ALA 68 2.614 5.080 9.409
441 HB2 ALA 68 2HB ALA 68 3.360 4.726 7.849
442 HB3 ALA 68 3HB ALA 68 2.863 6.374 8.236
443 H MET 69 H MET 69 0.103 2.957 6.920
444 HA MET 69 HA MET 69 -0.978 1.163 7.808
445 HB3 MET 69 2HB MET 69 -0.187 0.233 9.790
446 HG3 MET 69 2HG MET 69 2.150 2.011 9.641
447 HE1 MET 69 3HE MET 69 0.772 -1.122 8.275
448 HE2 MET 69 1HE MET 69 2.036 -2.326 8.531
449 HE3 MET 69 2HE MET 69 0.796 -2.074 9.760
450 HA PRO 70 HA PRO 70 -4.271 3.977 9.378
451 HB3 PRO 70 2HB PRO 70 -5.069 4.261 7.242
452 HG3 PRO 70 2HG PRO 70 -4.650 2.684 5.586
453 HD3 PRO 70 2HD PRO 70 -2.513 2.986 6.395
454 H THR 71 H THR 71 -4.176 0.509 8.809
455 HA THR 71 HA THR 71 -5.244 -0.089 11.367
456 HB THR 71 HB THR 71 -7.348 0.574 10.183
457 HG1 THR 71 1HG THR 71 -8.453 -1.082 11.114
458 HG21 THR 71 3HG2 THR 71 -6.297 -0.880 8.081
459 HG22 THR 71 1HG2 THR 71 -7.950 -0.281 8.203
460 HG23 THR 71 2HG2 THR 71 -7.570 -1.926 8.710
461 H ASN 72 H ASN 72 -5.885 -2.555 11.411
462 HA ASN 72 HA ASN 72 -3.640 -4.050 10.872
463 HB3 ASN 72 2HB ASN 72 -6.373 -5.305 10.817
464 HD21 ASN 72 1HD2 ASN 72 -6.297 -7.170 12.437
465 HD22 ASN 72 2HD2 ASN 72 -4.883 -8.160 12.375
466 H PHE 73 H PHE 73 -2.960 -5.403 9.243
467 HA PHE 73 HA PHE 73 -4.478 -5.262 6.721
468 HB3 PHE 73 2HB PHE 73 -2.114 -5.508 5.667
469 HD1 PHE 73 2HD PHE 73 -4.166 -3.996 4.763
470 HD2 PHE 73 1HD PHE 73 -1.087 -2.721 7.411
471 HE1 PHE 73 2HE PHE 73 -4.549 -1.664 4.080
472 HE2 PHE 73 1HE PHE 73 -1.466 -0.386 6.733
473 HZ PHE 73 HZ PHE 73 -3.198 0.145 5.064
474 H ALA 74 H ALA 74 -2.959 -7.215 9.061
475 HA ALA 74 HA ALA 74 -2.197 -9.473 7.634
476 HB1 ALA 74 1HB ALA 74 -3.488 -9.490 10.357
477 HB2 ALA 74 2HB ALA 74 -2.380 -10.689 9.687
478 HB3 ALA 74 3HB ALA 74 -1.802 -9.065 10.062
479 H THR 75 H THR 75 -5.326 -8.191 8.147
480 HA THR 75 HA THR 75 -6.520 -10.653 7.054
481 HB THR 75 HB THR 75 -7.249 -10.394 9.360
482 HG1 THR 75 1HG THR 75 -9.397 -10.615 8.919
483 HG21 THR 75 3HG2 THR 75 -7.040 -7.716 8.971
484 HG22 THR 75 1HG2 THR 75 -7.910 -8.457 10.313
485 HG23 THR 75 2HG2 THR 75 -8.787 -7.932 8.876
486 H ALA 76 H ALA 76 -5.576 -7.801 6.098
487 HA ALA 76 HA ALA 76 -8.042 -7.084 4.667
488 HB1 ALA 76 1HB ALA 76 -7.161 -4.907 4.370
489 HB2 ALA 76 2HB ALA 76 -6.852 -5.343 6.051
490 HB3 ALA 76 3HB ALA 76 -5.547 -5.415 4.867
491 H THR 77 H THR 77 -7.629 -6.186 2.412
492 HA THR 77 HA THR 77 -5.658 -7.888 1.029
493 HB THR 77 HB THR 77 -7.145 -8.116 -0.834
494 HG1 THR 77 1HG THR 77 -9.363 -7.137 -0.480
495 HG21 THR 77 3HG2 THR 77 -7.550 -9.387 1.449
496 HG22 THR 77 1HG2 THR 77 -8.639 -9.596 0.080
497 HG23 THR 77 2HG2 THR 77 -9.078 -8.509 1.397
498 H VAL 78 H VAL 78 -5.227 -7.016 -1.270
499 HA VAL 78 HA VAL 78 -3.890 -4.597 -1.104
500 HB VAL 78 HB VAL 78 -3.690 -4.646 -3.518
501 HG11 VAL 78 1HG1 VAL 78 -3.371 -7.402 -3.514
502 HG12 VAL 78 2HG1 VAL 78 -2.161 -6.200 -3.059
503 HG13 VAL 78 3HG1 VAL 78 -3.183 -6.938 -1.824
504 HG21 VAL 78 3HG2 VAL 78 -5.941 -5.108 -4.184
505 HG22 VAL 78 1HG2 VAL 78 -4.914 -6.392 -4.821
506 HG23 VAL 78 2HG2 VAL 78 -5.908 -6.685 -3.394
507 H ARG 79 H ARG 79 -7.192 -5.264 -2.127
508 HA ARG 79 HA ARG 79 -7.770 -2.701 -3.164
509 HB3 ARG 79 2HB ARG 79 -9.636 -4.756 -1.966
510 HG3 ARG 79 2HG ARG 79 -10.800 -2.657 -2.141
511 HD3 ARG 79 2HD ARG 79 -9.270 -2.447 -4.621
512 HE ARG 79 HE ARG 79 -11.745 -1.105 -5.037
513 HH11 ARG 79 1HH1 ARG 79 -10.124 -4.157 -5.449
514 HH12 ARG 79 2HH1 ARG 79 -11.106 -4.647 -6.789
515 HH21 ARG 79 1HH2 ARG 79 -13.045 -1.737 -6.801
516 HH22 ARG 79 2HH2 ARG 79 -12.767 -3.269 -7.559
517 H GLU 80 H GLU 80 -8.190 -4.126 0.052
518 HA GLU 80 HA GLU 80 -9.530 -1.952 1.229
519 HB3 GLU 80 2HB GLU 80 -8.347 -2.977 3.369
520 HG3 GLU 80 2HG GLU 80 -10.055 -5.069 2.333
521 H MET 81 H MET 81 -6.075 -2.797 1.179
522 HA MET 81 HA MET 81 -5.198 -0.571 2.666
523 HB3 MET 81 2HB MET 81 -3.723 -2.239 0.622
524 HG3 MET 81 2HG MET 81 -2.402 -0.776 2.860
525 HE1 MET 81 3HE MET 81 -0.972 -2.439 3.352
526 HE2 MET 81 1HE MET 81 -1.089 -3.776 2.208
527 HE3 MET 81 2HE MET 81 0.447 -2.938 2.430
528 H ALA 82 H ALA 82 -5.749 -1.064 -0.773
529 HA ALA 82 HA ALA 82 -4.546 1.356 -1.642
530 HB1 ALA 82 1HB ALA 82 -5.395 0.863 -3.766
531 HB2 ALA 82 2HB ALA 82 -5.113 -0.714 -3.030
532 HB3 ALA 82 3HB ALA 82 -6.748 -0.059 -3.109
533 H GLU 83 H GLU 83 -7.949 0.437 -1.122
534 HA GLU 83 HA GLU 83 -9.069 2.925 -1.740
535 HB3 GLU 83 2HB GLU 83 -10.386 0.860 -1.549
536 HG3 GLU 83 2HG GLU 83 -9.924 1.152 1.410
537 H ALA 84 H ALA 84 -7.716 1.669 1.249
538 HA ALA 84 HA ALA 84 -8.630 3.657 3.003
539 HB1 ALA 84 1HB ALA 84 -7.743 1.975 4.221
540 HB2 ALA 84 2HB ALA 84 -6.490 1.625 3.030
541 HB3 ALA 84 3HB ALA 84 -6.296 2.981 4.140
542 H LEU 85 H LEU 85 -5.614 3.443 1.131
543 HA LEU 85 HA LEU 85 -4.629 5.964 2.029
544 HB3 LEU 85 2HB LEU 85 -2.981 5.692 0.193
545 HG LEU 85 HG LEU 85 -3.376 3.313 1.988
546 HD11 LEU 85 1HD1 LEU 85 -2.173 2.196 0.433
547 HD12 LEU 85 2HD1 LEU 85 -0.834 3.039 1.211
548 HD13 LEU 85 3HD1 LEU 85 -1.522 3.669 -0.285
549 HD21 LEU 85 3HD2 LEU 85 -2.552 5.776 2.616
550 HD22 LEU 85 1HD2 LEU 85 -1.013 5.091 2.095
551 HD23 LEU 85 2HD2 LEU 85 -1.922 4.327 3.400
552 H GLU 86 H GLU 86 -6.235 4.855 -0.933
553 HA GLU 86 HA GLU 86 -6.137 7.296 -2.318
554 HB3 GLU 86 2HB GLU 86 -6.893 4.833 -3.014
555 HG3 GLU 86 2HG GLU 86 -9.508 6.292 -2.719
556 H ALA 87 H ALA 87 -8.424 6.014 0.026
557 HA ALA 87 HA ALA 87 -10.438 7.959 -0.304
558 HB1 ALA 87 1HB ALA 87 -10.881 7.269 2.202
559 HB2 ALA 87 2HB ALA 87 -11.215 6.159 0.871
560 HB3 ALA 87 3HB ALA 87 -9.732 5.990 1.810
561 H ARG 88 H ARG 88 -7.569 7.831 1.754
562 HA ARG 88 HA ARG 88 -8.105 10.098 3.314
563 HB3 ARG 88 2HB ARG 88 -5.784 10.064 3.911
564 HG3 ARG 88 2HG ARG 88 -5.580 7.277 3.585
565 HD3 ARG 88 2HD ARG 88 -4.942 8.296 5.614
566 HE ARG 88 HE ARG 88 -6.144 10.165 6.161
567 HH11 ARG 88 1HH1 ARG 88 -8.332 7.495 5.712
568 HH12 ARG 88 2HH1 ARG 88 -9.716 8.363 6.289
569 HH21 ARG 88 1HH2 ARG 88 -7.958 11.318 6.924
570 HH22 ARG 88 2HH2 ARG 88 -9.502 10.537 6.977
571 H GLU 89 H GLU 89 -6.061 9.800 0.405
572 HA GLU 89 HA GLU 89 -5.470 12.524 0.149
573 HB3 GLU 89 2HB GLU 89 -5.199 11.840 -2.360
574 HG3 GLU 89 2HG GLU 89 -3.494 10.114 -0.665
575 H ARG 90 H ARG 90 -8.239 10.650 -0.877
576 HA ARG 90 HA ARG 90 -9.355 12.458 -2.706
577 HB3 ARG 90 2HB ARG 90 -10.611 10.388 -0.907
578 HG3 ARG 90 2HG ARG 90 -11.958 11.783 -3.207
579 HD3 ARG 90 2HD ARG 90 -12.553 9.430 -1.537
580 HE ARG 90 HE ARG 90 -14.339 11.510 -1.282
581 HH11 ARG 90 1HH1 ARG 90 -14.390 8.273 -2.563
582 HH12 ARG 90 2HH1 ARG 90 -16.069 8.022 -2.214
583 HH21 ARG 90 1HH2 ARG 90 -16.549 11.192 -0.819
584 HH22 ARG 90 2HH2 ARG 90 -17.295 9.683 -1.223
585 H GLU 91 H GLU 91 -9.235 12.473 0.758
586 HA GLU 91 HA GLU 91 -10.658 15.032 0.762
587 HB3 GLU 91 2HB GLU 91 -11.179 12.919 2.852
588 HG3 GLU 91 2HG GLU 91 -12.294 15.618 2.282
589 H ALA 92 H ALA 92 -7.994 14.965 0.789
590 HA ALA 92 HA ALA 92 -7.173 15.179 3.604
591 HB1 ALA 92 1HB ALA 92 -5.878 14.173 1.248
592 HB2 ALA 92 2HB ALA 92 -4.921 15.472 1.961
593 HB3 ALA 92 3HB ALA 92 -5.370 14.071 2.934
594 HA PRO 93 HA PRO 93 -6.752 19.544 3.454
595 HB3 PRO 93 2HB PRO 93 -5.972 19.447 5.613
596 HG3 PRO 93 2HG PRO 93 -4.565 17.728 6.305
597 HD3 PRO 93 2HD PRO 93 -6.235 16.496 5.304
598 H HIS 94 H HIS 94 -4.814 21.275 3.212
599 HA HIS 94 HA HIS 94 -3.527 20.593 0.661
600 HB3 HIS 94 2HB HIS 94 -4.977 22.492 0.455
601 HD1 HIS 94 1HD HIS 94 -2.501 24.531 2.366
602 HD2 HIS 94 2HD HIS 94 -6.454 23.298 2.695
603 HE1 HIS 94 1HE HIS 94 -3.485 25.920 4.217
604 H LEU 95 H LEU 95 -2.235 19.541 2.793
605 HA LEU 95 HA LEU 95 -0.023 21.377 3.389
606 HB3 LEU 95 2HB LEU 95 0.224 18.880 4.746
607 HG LEU 95 HG LEU 95 -0.449 21.635 5.762
608 HD11 LEU 95 1HD1 LEU 95 -1.154 20.687 7.643
609 HD12 LEU 95 2HD1 LEU 95 0.494 20.107 7.880
610 HD13 LEU 95 3HD1 LEU 95 -0.697 19.078 7.084
611 HD21 LEU 95 3HD2 LEU 95 1.807 21.311 4.842
612 HD22 LEU 95 1HD2 LEU 95 2.056 19.965 5.955
613 HD23 LEU 95 2HD2 LEU 95 1.835 21.597 6.583
614 H GLU 96 H GLU 96 -0.816 18.325 1.875
615 HA GLU 96 HA GLU 96 1.625 18.362 0.374
616 HB3 GLU 96 2HB GLU 96 1.216 15.971 2.163
617 HG3 GLU 96 2HG GLU 96 3.202 16.752 0.149
618 H HIS 97 H HIS 97 1.533 17.069 -1.449
619 HA HIS 97 HA HIS 97 -0.679 15.207 -1.770
620 HB3 HIS 97 2HB HIS 97 -1.090 16.437 -4.077
621 HD1 HIS 97 1HD HIS 97 -2.638 19.104 -3.013
622 HD2 HIS 97 2HD HIS 97 -2.909 15.226 -1.548
623 HE1 HIS 97 1HE HIS 97 -4.864 18.979 -1.850
624 H HIS 98 H HIS 98 1.889 16.917 -3.558
625 HA HIS 98 HA HIS 98 2.593 14.350 -4.820
626 HB3 HIS 98 2HB HIS 98 3.636 15.697 -6.612
627 HD1 HIS 98 1HD HIS 98 0.370 17.266 -5.441
628 HD2 HIS 98 2HD HIS 98 1.869 14.863 -8.479
629 HE1 HIS 98 1HE HIS 98 -1.558 16.885 -7.011
630 H HIS 99 H HIS 99 4.537 13.488 -4.434
631 HA HIS 99 HA HIS 99 6.885 14.951 -3.900
632 HB3 HIS 99 2HB HIS 99 6.331 13.474 -1.428
633 HD1 HIS 99 1HD HIS 99 7.751 14.448 0.416
634 HD2 HIS 99 2HD HIS 99 7.570 16.887 -2.943
635 HE1 HIS 99 1HE HIS 99 9.459 16.253 0.802
636 H HIS 100 H HIS 100 8.504 13.698 -4.545
637 HA HIS 100 HA HIS 100 8.891 11.024 -3.759
638 HB3 HIS 100 2HB HIS 100 7.060 10.473 -5.228
639 HD1 HIS 100 1HD HIS 100 9.475 11.461 -7.966
640 HD2 HIS 100 2HD HIS 100 5.573 12.201 -6.745
641 HE1 HIS 100 1HE HIS 100 8.431 12.799 -9.823
642 H HIS 101 H HIS 101 10.923 10.286 -4.302
643 HA HIS 101 HA HIS 101 12.505 11.210 -6.417
644 HB3 HIS 101 2HB HIS 101 12.607 13.360 -5.421
645 HD1 HIS 101 1HD HIS 101 14.033 11.332 -2.527
646 HD2 HIS 101 2HD HIS 101 11.459 14.508 -3.267
647 HE1 HIS 101 1HE HIS 101 13.319 12.161 -0.262
648 H HIS 102 H HIS 102 14.840 10.604 -6.130
649 HA HIS 102 HA HIS 102 15.363 8.688 -4.005
650 HB3 HIS 102 2HB HIS 102 16.157 7.492 -6.512
651 HD1 HIS 102 1HD HIS 102 16.331 5.061 -6.048
652 HD2 HIS 102 2HD HIS 102 13.649 6.948 -3.497
653 HE1 HIS 102 1HE HIS 102 15.625 3.303 -4.394
Start of MODEL 4
1 H1 MET 1 H MET 1 6.944 1.766 -23.314
2 HA MET 1 HA MET 1 4.745 2.830 -21.666
3 HB3 MET 1 2HB MET 1 6.361 4.427 -20.744
4 HG3 MET 1 2HG MET 1 7.347 1.590 -20.596
5 HE1 MET 1 3HE MET 1 8.026 4.628 -17.291
6 HE2 MET 1 1HE MET 1 7.868 5.389 -18.874
7 HE3 MET 1 2HE MET 1 6.568 4.373 -18.250
8 H ALA 2 H ALA 2 3.494 4.273 -22.637
9 HA ALA 2 HA ALA 2 4.434 6.475 -24.104
10 HB1 ALA 2 1HB ALA 2 2.962 4.820 -26.039
11 HB2 ALA 2 2HB ALA 2 4.333 5.904 -26.278
12 HB3 ALA 2 3HB ALA 2 4.596 4.273 -25.660
13 H ARG 3 H ARG 3 1.770 4.222 -23.573
14 HA ARG 3 HA ARG 3 -0.173 6.380 -23.908
15 HB3 ARG 3 2HB ARG 3 -1.265 3.810 -23.104
16 HG3 ARG 3 2HG ARG 3 -1.817 5.900 -25.015
17 HD3 ARG 3 2HD ARG 3 -3.025 4.186 -26.540
18 HE ARG 3 HE ARG 3 -0.494 5.359 -26.822
19 HH11 ARG 3 1HH1 ARG 3 -2.393 2.754 -28.137
20 HH12 ARG 3 2HH1 ARG 3 -1.624 2.803 -29.689
21 HH21 ARG 3 1HH2 ARG 3 0.525 5.434 -28.862
22 HH22 ARG 3 2HH2 ARG 3 0.036 4.327 -30.100
23 H ALA 4 H ALA 4 -2.088 6.159 -22.256
24 HA ALA 4 HA ALA 4 -0.963 6.743 -19.674
25 HB1 ALA 4 1HB ALA 4 -2.727 8.090 -19.658
26 HB2 ALA 4 2HB ALA 4 -3.424 7.278 -21.060
27 HB3 ALA 4 3HB ALA 4 -3.749 6.671 -19.437
28 H ASP 5 H ASP 5 -2.471 4.030 -21.196
29 HA ASP 5 HA ASP 5 -3.558 2.645 -19.066
30 HB3 ASP 5 2HB ASP 5 -3.317 0.655 -20.376
31 H ASP 6 H ASP 6 -2.793 1.278 -17.500
32 HA ASP 6 HA ASP 6 0.016 1.591 -16.819
33 HB3 ASP 6 2HB ASP 6 -1.493 -0.110 -15.021
34 H THR 7 H THR 7 0.546 -0.708 -15.422
35 HA THR 7 HA THR 7 1.587 -2.420 -17.307
36 HB THR 7 HB THR 7 0.952 -4.022 -15.048
37 HG1 THR 7 1HG THR 7 0.438 -2.222 -13.847
38 HG21 THR 7 3HG2 THR 7 3.053 -4.473 -15.707
39 HG22 THR 7 1HG2 THR 7 3.511 -3.142 -14.644
40 HG23 THR 7 2HG2 THR 7 3.292 -2.856 -16.371
41 H ALA 8 H ALA 8 0.643 -3.665 -18.772
42 HA ALA 8 HA ALA 8 -0.774 -5.137 -19.777
43 HB1 ALA 8 1HB ALA 8 -0.884 -6.851 -18.355
44 HB2 ALA 8 2HB ALA 8 -0.965 -5.788 -16.950
45 HB3 ALA 8 3HB ALA 8 -2.434 -6.183 -17.843
46 H LEU 9 H LEU 9 -2.998 -4.317 -17.156
47 HA LEU 9 HA LEU 9 -4.940 -3.398 -19.109
48 HB3 LEU 9 2HB LEU 9 -6.227 -3.068 -16.802
49 HG LEU 9 HG LEU 9 -6.445 -4.980 -18.696
50 HD11 LEU 9 1HD1 LEU 9 -4.874 -6.514 -17.848
51 HD12 LEU 9 2HD1 LEU 9 -6.453 -7.152 -17.393
52 HD13 LEU 9 3HD1 LEU 9 -5.458 -6.323 -16.195
53 HD21 LEU 9 3HD2 LEU 9 -7.774 -4.840 -15.995
54 HD22 LEU 9 1HD2 LEU 9 -8.347 -5.841 -17.328
55 HD23 LEU 9 2HD2 LEU 9 -8.310 -4.086 -17.497
56 HA PRO 10 HA PRO 10 -4.404 0.919 -18.530
57 HB3 PRO 10 2HB PRO 10 -6.039 1.220 -20.115
58 HG3 PRO 10 2HG PRO 10 -7.884 -0.191 -20.219
59 HD3 PRO 10 2HD PRO 10 -6.193 -1.754 -20.150
60 H ALA 11 H ALA 11 -3.958 0.055 -16.143
61 HA ALA 11 HA ALA 11 -5.957 0.774 -14.205
62 HB1 ALA 11 1HB ALA 11 -3.701 0.536 -12.741
63 HB2 ALA 11 2HB ALA 11 -4.709 -0.827 -13.231
64 HB3 ALA 11 3HB ALA 11 -3.267 -0.417 -14.161
65 H ALA 12 H ALA 12 -6.173 2.997 -15.157
66 HA ALA 12 HA ALA 12 -4.051 4.871 -14.580
67 HB1 ALA 12 1HB ALA 12 -5.085 6.182 -16.051
68 HB2 ALA 12 2HB ALA 12 -6.177 4.830 -16.355
69 HB3 ALA 12 3HB ALA 12 -6.616 6.073 -15.182
70 H THR 13 H THR 13 -6.267 3.353 -12.699
71 HA THR 13 HA THR 13 -7.530 5.234 -11.145
72 HB THR 13 HB THR 13 -8.014 2.954 -10.712
73 HG1 THR 13 1HG THR 13 -8.169 4.131 -8.818
74 HG21 THR 13 3HG2 THR 13 -6.348 1.383 -9.795
75 HG22 THR 13 1HG2 THR 13 -5.105 2.621 -9.968
76 HG23 THR 13 2HG2 THR 13 -5.902 1.965 -11.398
77 H GLY 14 H GLY 14 -4.165 4.179 -10.987
78 HA2 GLY 14 2HA GLY 14 -2.341 5.336 -10.146
79 HA3 GLY 14 3HA GLY 14 -3.431 6.615 -9.634
80 H ALA 15 H ALA 15 -4.923 5.921 -7.759
81 HA ALA 15 HA ALA 15 -3.330 5.391 -5.521
82 HB1 ALA 15 1HB ALA 15 -5.944 6.224 -5.979
83 HB2 ALA 15 2HB ALA 15 -6.102 4.734 -5.047
84 HB3 ALA 15 3HB ALA 15 -5.137 6.070 -4.418
85 H LEU 16 H LEU 16 -5.691 3.288 -7.165
86 HA LEU 16 HA LEU 16 -5.167 1.028 -5.530
87 HB3 LEU 16 2HB LEU 16 -6.142 0.042 -7.920
88 HG LEU 16 HG LEU 16 -8.441 0.249 -6.922
89 HD11 LEU 16 1HD1 LEU 16 -7.706 -1.771 -6.302
90 HD12 LEU 16 2HD1 LEU 16 -7.478 -1.028 -4.718
91 HD13 LEU 16 3HD1 LEU 16 -6.119 -1.160 -5.835
92 HD21 LEU 16 3HD2 LEU 16 -6.894 1.532 -4.672
93 HD22 LEU 16 1HD2 LEU 16 -8.570 0.988 -4.582
94 HD23 LEU 16 2HD2 LEU 16 -8.127 2.303 -5.671
95 H GLU 17 H GLU 17 -3.837 2.209 -8.553
96 HA GLU 17 HA GLU 17 -2.409 -0.156 -9.221
97 HB3 GLU 17 2HB GLU 17 -2.853 2.392 -10.377
98 HG3 GLU 17 2HG GLU 17 -0.559 2.922 -9.463
99 H LEU 18 H LEU 18 -1.679 2.683 -7.297
100 HA LEU 18 HA LEU 18 1.107 2.241 -7.052
101 HB3 LEU 18 2HB LEU 18 -0.510 3.571 -4.919
102 HG LEU 18 HG LEU 18 2.190 4.100 -6.111
103 HD11 LEU 18 1HD1 LEU 18 0.323 6.103 -5.592
104 HD12 LEU 18 2HD1 LEU 18 2.062 6.293 -5.801
105 HD13 LEU 18 3HD1 LEU 18 1.388 6.084 -4.186
106 HD21 LEU 18 3HD2 LEU 18 1.185 2.973 -3.695
107 HD22 LEU 18 1HD2 LEU 18 2.040 4.468 -3.312
108 HD23 LEU 18 2HD2 LEU 18 2.861 3.187 -4.205
109 H VAL 19 H VAL 19 -1.589 1.542 -4.829
110 HA VAL 19 HA VAL 19 -0.037 0.213 -2.891
111 HB VAL 19 HB VAL 19 -2.963 0.251 -3.528
112 HG11 VAL 19 1HG1 VAL 19 -3.302 -1.173 -1.484
113 HG12 VAL 19 2HG1 VAL 19 -2.669 -2.023 -2.895
114 HG13 VAL 19 3HG1 VAL 19 -1.589 -1.580 -1.571
115 HG21 VAL 19 3HG2 VAL 19 -2.829 1.966 -2.116
116 HG22 VAL 19 1HG2 VAL 19 -2.464 0.807 -0.838
117 HG23 VAL 19 2HG2 VAL 19 -1.154 1.587 -1.724
118 H ARG 20 H ARG 20 -2.045 -1.069 -5.537
119 HA ARG 20 HA ARG 20 -1.562 -3.782 -5.074
120 HB3 ARG 20 2HB ARG 20 -2.025 -3.946 -7.622
121 HG3 ARG 20 2HG ARG 20 -3.923 -2.889 -5.579
122 HD3 ARG 20 2HD ARG 20 -4.382 -2.047 -8.018
123 HE ARG 20 HE ARG 20 -4.707 -4.859 -8.383
124 HH11 ARG 20 1HH1 ARG 20 -5.965 -1.742 -9.293
125 HH12 ARG 20 2HH1 ARG 20 -6.599 -2.296 -10.808
126 HH21 ARG 20 1HH2 ARG 20 -5.537 -5.598 -10.375
127 HH22 ARG 20 2HH2 ARG 20 -6.356 -4.490 -11.422
128 H HIS 21 H HIS 21 0.244 -1.408 -6.963
129 HA HIS 21 HA HIS 21 2.064 -3.202 -8.149
130 HB3 HIS 21 2HB HIS 21 2.471 -0.285 -7.448
131 HD1 HIS 21 1HD HIS 21 3.966 -3.234 -9.185
132 HD2 HIS 21 2HD HIS 21 4.600 0.860 -8.867
133 HE1 HIS 21 1HE HIS 21 6.237 -2.826 -10.186
134 H LEU 22 H LEU 22 2.385 -1.155 -5.251
135 HA LEU 22 HA LEU 22 4.944 -1.973 -4.507
136 HB3 LEU 22 2HB LEU 22 4.237 -1.287 -2.195
137 HG LEU 22 HG LEU 22 3.401 0.761 -4.243
138 HD11 LEU 22 1HD1 LEU 22 2.877 1.767 -2.279
139 HD12 LEU 22 2HD1 LEU 22 4.598 2.143 -2.310
140 HD13 LEU 22 3HD1 LEU 22 4.011 0.790 -1.344
141 HD21 LEU 22 3HD2 LEU 22 6.006 1.292 -3.480
142 HD22 LEU 22 1HD2 LEU 22 5.481 0.630 -5.029
143 HD23 LEU 22 2HD2 LEU 22 5.985 -0.455 -3.733
144 H VAL 23 H VAL 23 1.803 -3.426 -3.891
145 HA VAL 23 HA VAL 23 2.744 -5.367 -2.025
146 HB VAL 23 HB VAL 23 0.208 -4.735 -3.335
147 HG11 VAL 23 1HG1 VAL 23 -0.717 -7.041 -2.932
148 HG12 VAL 23 2HG1 VAL 23 0.357 -6.889 -4.325
149 HG13 VAL 23 3HG1 VAL 23 0.949 -7.608 -2.828
150 HG21 VAL 23 3HG2 VAL 23 0.134 -4.255 -1.113
151 HG22 VAL 23 1HG2 VAL 23 -0.462 -5.913 -1.042
152 HG23 VAL 23 2HG2 VAL 23 1.229 -5.568 -0.679
153 H ALA 24 H ALA 24 2.018 -5.437 -5.498
154 HA ALA 24 HA ALA 24 2.502 -8.158 -5.935
155 HB1 ALA 24 1HB ALA 24 2.913 -7.470 -8.306
156 HB2 ALA 24 2HB ALA 24 1.397 -6.884 -7.619
157 HB3 ALA 24 3HB ALA 24 2.774 -5.792 -7.778
158 H GLU 25 H GLU 25 4.699 -5.373 -6.208
159 HA GLU 25 HA GLU 25 6.964 -6.859 -6.994
160 HB3 GLU 25 2HB GLU 25 8.250 -4.854 -6.318
161 HG3 GLU 25 2HG GLU 25 6.000 -3.466 -7.515
162 H ARG 26 H ARG 26 5.525 -6.211 -3.896
163 HA ARG 26 HA ARG 26 7.831 -7.013 -2.372
164 HB3 ARG 26 2HB ARG 26 5.970 -7.084 -0.515
165 HG3 ARG 26 2HG ARG 26 5.887 -4.386 -0.870
166 HD3 ARG 26 2HD ARG 26 6.967 -6.048 0.914
167 HE ARG 26 HE ARG 26 9.187 -5.466 -0.791
168 HH11 ARG 26 1HH1 ARG 26 8.224 -5.971 2.517
169 HH12 ARG 26 2HH1 ARG 26 9.793 -6.497 3.030
170 HH21 ARG 26 1HH2 ARG 26 11.258 -6.156 -0.127
171 HH22 ARG 26 2HH2 ARG 26 11.518 -6.600 1.526
172 H ALA 27 H ALA 27 5.269 -8.602 -3.961
173 HA ALA 27 HA ALA 27 5.596 -11.028 -2.343
174 HB1 ALA 27 1HB ALA 27 3.642 -11.802 -3.855
175 HB2 ALA 27 2HB ALA 27 3.324 -10.636 -2.570
176 HB3 ALA 27 3HB ALA 27 3.481 -10.088 -4.239
177 H GLU 28 H GLU 28 7.336 -9.787 -4.618
178 HA GLU 28 HA GLU 28 8.646 -10.536 -6.324
179 HB3 GLU 28 2HB GLU 28 8.196 -13.385 -5.640
180 HG3 GLU 28 2HG GLU 28 10.160 -12.096 -6.967
181 H LEU 29 H LEU 29 6.102 -10.000 -7.134
182 HA LEU 29 HA LEU 29 5.807 -11.863 -9.350
183 HB3 LEU 29 2HB LEU 29 4.286 -12.751 -7.686
184 HG LEU 29 HG LEU 29 3.810 -10.311 -6.696
185 HD11 LEU 29 1HD1 LEU 29 1.873 -9.313 -7.410
186 HD12 LEU 29 2HD1 LEU 29 1.237 -10.798 -8.117
187 HD13 LEU 29 3HD1 LEU 29 2.519 -9.910 -8.938
188 HD21 LEU 29 3HD2 LEU 29 1.721 -12.480 -6.659
189 HD22 LEU 29 1HD2 LEU 29 2.077 -11.296 -5.401
190 HD23 LEU 29 2HD2 LEU 29 3.239 -12.572 -5.764
191 HA PRO 30 HA PRO 30 4.978 -8.236 -11.678
192 HB3 PRO 30 2HB PRO 30 4.984 -9.567 -13.550
193 HG3 PRO 30 2HG PRO 30 4.073 -11.706 -13.504
194 HD3 PRO 30 2HD PRO 30 5.422 -11.810 -11.640
195 H VAL 31 H VAL 31 3.683 -6.507 -11.487
196 HA VAL 31 HA VAL 31 1.403 -6.525 -9.854
197 HB VAL 31 HB VAL 31 2.728 -4.508 -10.161
198 HG11 VAL 31 1HG1 VAL 31 3.042 -5.050 -12.682
199 HG12 VAL 31 2HG1 VAL 31 1.567 -4.104 -12.887
200 HG13 VAL 31 3HG1 VAL 31 2.993 -3.368 -12.156
201 HG21 VAL 31 3HG2 VAL 31 0.965 -3.184 -9.760
202 HG22 VAL 31 1HG2 VAL 31 0.242 -3.515 -11.334
203 HG23 VAL 31 2HG2 VAL 31 -0.004 -4.638 -9.996
204 H GLU 32 H GLU 32 1.776 -7.341 -13.137
205 HA GLU 32 HA GLU 32 -0.878 -6.668 -13.994
206 HB3 GLU 32 2HB GLU 32 1.155 -6.899 -15.493
207 HG3 GLU 32 2HG GLU 32 1.210 -9.510 -14.466
208 H VAL 33 H VAL 33 0.547 -9.258 -12.271
209 HA VAL 33 HA VAL 33 -1.761 -11.001 -12.790
210 HB VAL 33 HB VAL 33 0.726 -11.790 -12.963
211 HG11 VAL 33 1HG1 VAL 33 0.900 -10.912 -10.437
212 HG12 VAL 33 2HG1 VAL 33 0.445 -12.589 -10.132
213 HG13 VAL 33 3HG1 VAL 33 1.892 -12.224 -11.074
214 HG21 VAL 33 3HG2 VAL 33 -0.796 -13.709 -11.327
215 HG22 VAL 33 1HG2 VAL 33 -1.640 -13.068 -12.737
216 HG23 VAL 33 2HG2 VAL 33 -0.093 -13.893 -12.934
217 H LEU 34 H LEU 34 -0.857 -8.673 -10.678
218 HA LEU 34 HA LEU 34 -1.461 -9.847 -8.165
219 HB3 LEU 34 2HB LEU 34 -1.854 -6.940 -8.739
220 HG LEU 34 HG LEU 34 -0.431 -6.744 -6.620
221 HD11 LEU 34 1HD1 LEU 34 -2.596 -7.594 -5.279
222 HD12 LEU 34 2HD1 LEU 34 -3.265 -7.502 -6.907
223 HD13 LEU 34 3HD1 LEU 34 -2.537 -6.074 -6.173
224 HD21 LEU 34 3HD2 LEU 34 0.025 -8.550 -5.340
225 HD22 LEU 34 1HD2 LEU 34 -0.047 -9.386 -6.891
226 HD23 LEU 34 2HD2 LEU 34 -1.447 -9.398 -5.818
227 H ARG 35 H ARG 35 -3.369 -10.487 -7.434
228 HA ARG 35 HA ARG 35 -5.796 -9.784 -8.819
229 HB3 ARG 35 2HB ARG 35 -6.674 -11.166 -6.680
230 HG3 ARG 35 2HG ARG 35 -6.334 -13.259 -7.948
231 HD3 ARG 35 2HD ARG 35 -7.225 -12.061 -10.222
232 HE ARG 35 HE ARG 35 -8.485 -13.220 -7.996
233 HH11 ARG 35 1HH1 ARG 35 -9.161 -11.048 -10.632
234 HH12 ARG 35 2HH1 ARG 35 -10.845 -11.449 -10.702
235 HH21 ARG 35 1HH2 ARG 35 -10.701 -13.756 -8.079
236 HH22 ARG 35 2HH2 ARG 35 -11.720 -12.989 -9.249
237 H ASP 36 H ASP 36 -7.609 -8.748 -7.908
238 HA ASP 36 HA ASP 36 -6.961 -6.540 -6.215
239 HB3 ASP 36 2HB ASP 36 -9.087 -5.722 -6.701
240 H ASP 37 H ASP 37 -8.283 -9.699 -5.724
241 HA ASP 37 HA ASP 37 -9.122 -9.016 -2.999
242 HB3 ASP 37 2HB ASP 37 -10.163 -11.261 -2.982
243 H SER 38 H SER 38 -6.300 -9.429 -4.112
244 HA SER 38 HA SER 38 -5.305 -11.793 -2.860
245 HB3 SER 38 2HB SER 38 -4.126 -10.815 -4.756
246 HG SER 38 HG SER 38 -4.556 -8.612 -4.325
247 H ARG 39 H ARG 39 -4.923 -12.112 -0.778
248 HA ARG 39 HA ARG 39 -5.067 -9.899 1.082
249 HB3 ARG 39 2HB ARG 39 -5.261 -11.510 2.783
250 HG3 ARG 39 2HG ARG 39 -6.358 -13.336 0.754
251 HD3 ARG 39 2HD ARG 39 -6.809 -13.221 3.292
252 HE ARG 39 HE ARG 39 -7.617 -10.696 2.872
253 HH11 ARG 39 1HH1 ARG 39 -9.348 -13.590 3.733
254 HH12 ARG 39 2HH1 ARG 39 -10.567 -12.749 4.632
255 HH21 ARG 39 1HH2 ARG 39 -9.215 -9.576 4.053
256 HH22 ARG 39 2HH2 ARG 39 -10.492 -10.466 4.813
257 H PHE 40 H PHE 40 -3.453 -9.402 2.638
258 HA PHE 40 HA PHE 40 -0.783 -9.551 1.574
259 HB3 PHE 40 2HB PHE 40 -0.179 -8.011 3.288
260 HD1 PHE 40 1HD PHE 40 -0.596 -6.897 1.018
261 HD2 PHE 40 2HD PHE 40 -3.535 -7.173 4.084
262 HE1 PHE 40 1HE PHE 40 -1.842 -5.043 -0.014
263 HE2 PHE 40 2HE PHE 40 -4.786 -5.320 3.057
264 HZ PHE 40 HZ PHE 40 -3.940 -4.252 1.005
265 H LEU 41 H LEU 41 -2.134 -12.021 2.549
266 HA LEU 41 HA LEU 41 0.119 -13.101 3.971
267 HB3 LEU 41 2HB LEU 41 -1.654 -14.081 5.690
268 HG LEU 41 HG LEU 41 -0.494 -11.322 6.077
269 HD11 LEU 41 1HD1 LEU 41 -0.585 -12.318 8.526
270 HD12 LEU 41 2HD1 LEU 41 -1.947 -13.208 7.848
271 HD13 LEU 41 3HD1 LEU 41 -1.946 -11.445 7.825
272 HD21 LEU 41 3HD2 LEU 41 1.491 -12.253 6.525
273 HD22 LEU 41 1HD2 LEU 41 0.879 -13.643 5.628
274 HD23 LEU 41 2HD2 LEU 41 0.766 -13.610 7.388
275 H ASP 42 H ASP 42 -3.216 -13.604 2.892
276 HA ASP 42 HA ASP 42 -3.216 -16.388 2.791
277 HB3 ASP 42 2HB ASP 42 -4.628 -14.633 0.784
278 H ASP 43 H ASP 43 -2.557 -14.110 0.125
279 HA ASP 43 HA ASP 43 -1.109 -16.280 -1.242
280 HB3 ASP 43 2HB ASP 43 -1.542 -14.288 -3.127
281 H LEU 44 H LEU 44 -1.104 -12.724 -0.944
282 HA LEU 44 HA LEU 44 1.459 -12.278 -1.921
283 HB3 LEU 44 2HB LEU 44 1.352 -10.130 -0.898
284 HG LEU 44 HG LEU 44 -1.482 -10.942 -1.536
285 HD11 LEU 44 1HD1 LEU 44 -1.778 -8.490 -1.927
286 HD12 LEU 44 2HD1 LEU 44 -0.227 -8.237 -1.129
287 HD13 LEU 44 3HD1 LEU 44 -1.571 -8.950 -0.237
288 HD21 LEU 44 3HD2 LEU 44 0.844 -10.514 -3.157
289 HD22 LEU 44 1HD2 LEU 44 -0.373 -9.286 -3.510
290 HD23 LEU 44 2HD2 LEU 44 -0.782 -10.997 -3.642
291 H HIS 45 H HIS 45 0.425 -13.510 1.143
292 HA HIS 45 HA HIS 45 1.536 -14.096 3.052
293 HB3 HIS 45 2HB HIS 45 3.914 -14.621 1.283
294 HD1 HIS 45 1HD HIS 45 2.423 -17.563 2.728
295 HD2 HIS 45 2HD HIS 45 5.039 -14.611 4.035
296 HE1 HIS 45 1HE HIS 45 3.562 -18.523 4.754
297 H MET 46 H MET 46 1.567 -11.873 3.798
298 HA MET 46 HA MET 46 4.317 -10.882 4.055
299 HB3 MET 46 2HB MET 46 3.778 -8.683 3.518
300 HG3 MET 46 2HG MET 46 2.294 -10.553 1.745
301 HE1 MET 46 3HE MET 46 3.392 -6.923 0.257
302 HE2 MET 46 1HE MET 46 3.378 -8.510 -0.516
303 HE3 MET 46 2HE MET 46 2.160 -7.309 -0.946
304 H SER 47 H SER 47 4.748 -11.139 6.148
305 HA SER 47 HA SER 47 2.882 -11.331 8.213
306 HB3 SER 47 2HB SER 47 4.753 -11.178 9.733
307 HG SER 47 HG SER 47 4.775 -13.065 8.506
308 H SER 48 H SER 48 2.569 -9.873 10.045
309 HA SER 48 HA SER 48 1.516 -7.434 9.372
310 HB3 SER 48 2HB SER 48 0.865 -8.074 11.484
311 HG SER 48 HG SER 48 2.052 -9.581 12.329
312 H ILE 49 H ILE 49 4.827 -8.173 10.315
313 HA ILE 49 HA ILE 49 5.670 -5.440 10.425
314 HB ILE 49 HB ILE 49 7.339 -7.944 10.163
315 HG13 ILE 49 2HG1 ILE 49 6.058 -6.559 12.460
316 HG21 ILE 49 1HG2 ILE 49 8.528 -5.634 11.475
317 HG22 ILE 49 2HG2 ILE 49 9.180 -6.683 10.217
318 HG23 ILE 49 3HG2 ILE 49 8.126 -5.337 9.784
319 HD11 ILE 49 3HD1 ILE 49 6.373 -9.271 11.497
320 HD12 ILE 49 1HD1 ILE 49 6.771 -9.111 13.207
321 HD13 ILE 49 2HD1 ILE 49 5.192 -8.594 12.618
322 H THR 50 H THR 50 5.836 -8.019 8.015
323 HA THR 50 HA THR 50 7.452 -6.678 6.144
324 HB THR 50 HB THR 50 5.329 -8.770 5.629
325 HG1 THR 50 1HG THR 50 6.812 -10.192 6.206
326 HG21 THR 50 3HG2 THR 50 6.260 -7.335 3.677
327 HG22 THR 50 1HG2 THR 50 6.223 -9.089 3.506
328 HG23 THR 50 2HG2 THR 50 7.734 -8.273 3.911
329 H VAL 51 H VAL 51 3.968 -6.683 6.676
330 HA VAL 51 HA VAL 51 3.228 -5.315 4.326
331 HB VAL 51 HB VAL 51 1.763 -5.092 6.947
332 HG11 VAL 51 1HG1 VAL 51 1.056 -4.809 4.057
333 HG12 VAL 51 2HG1 VAL 51 -0.179 -5.282 5.226
334 HG13 VAL 51 3HG1 VAL 51 0.675 -3.750 5.414
335 HG21 VAL 51 3HG2 VAL 51 0.834 -7.239 5.255
336 HG22 VAL 51 1HG2 VAL 51 2.510 -7.491 5.744
337 HG23 VAL 51 2HG2 VAL 51 1.259 -7.261 6.967
338 H GLY 52 H GLY 52 3.849 -4.125 7.626
339 HA2 GLY 52 2HA GLY 52 3.342 -1.423 7.174
340 HA3 GLY 52 3HA GLY 52 4.445 -2.045 8.392
341 H GLN 53 H GLN 53 6.120 -3.343 6.308
342 HA GLN 53 HA GLN 53 7.941 -1.213 5.915
343 HB3 GLN 53 2HB GLN 53 9.319 -2.809 4.767
344 HG3 GLN 53 2HG GLN 53 8.430 -4.953 6.337
345 HE21 GLN 53 1HE2 GLN 53 10.503 -5.608 6.069
346 HE22 GLN 53 2HE2 GLN 53 11.863 -4.822 6.787
347 H LEU 54 H LEU 54 5.739 -2.924 3.725
348 HA LEU 54 HA LEU 54 6.491 -1.294 1.470
349 HB3 LEU 54 2HB LEU 54 5.584 -3.760 1.569
350 HG LEU 54 HG LEU 54 3.264 -2.780 2.408
351 HD11 LEU 54 1HD1 LEU 54 3.286 -1.403 0.173
352 HD12 LEU 54 2HD1 LEU 54 1.790 -2.098 0.797
353 HD13 LEU 54 3HD1 LEU 54 2.661 -2.907 -0.504
354 HD21 LEU 54 3HD2 LEU 54 2.529 -4.758 0.526
355 HD22 LEU 54 1HD2 LEU 54 2.839 -4.951 2.252
356 HD23 LEU 54 2HD2 LEU 54 4.154 -5.144 1.093
357 H VAL 55 H VAL 55 3.938 -1.370 3.860
358 HA VAL 55 HA VAL 55 2.070 0.305 2.640
359 HB VAL 55 HB VAL 55 2.733 -0.215 5.523
360 HG11 VAL 55 1HG1 VAL 55 1.063 1.940 4.397
361 HG12 VAL 55 2HG1 VAL 55 0.347 1.010 5.715
362 HG13 VAL 55 3HG1 VAL 55 1.887 1.836 5.953
363 HG21 VAL 55 3HG2 VAL 55 0.555 -1.317 5.511
364 HG22 VAL 55 1HG2 VAL 55 0.318 -0.844 3.828
365 HG23 VAL 55 2HG2 VAL 55 1.601 -1.976 4.254
366 H ASN 56 H ASN 56 5.018 1.054 4.398
367 HA ASN 56 HA ASN 56 4.564 3.831 4.688
368 HB3 ASN 56 2HB ASN 56 7.296 3.599 4.609
369 HD21 ASN 56 1HD2 ASN 56 7.132 1.797 7.161
370 HD22 ASN 56 2HD2 ASN 56 6.593 2.914 8.364
371 H GLU 57 H GLU 57 5.828 1.865 2.093
372 HA GLU 57 HA GLU 57 6.985 3.989 0.595
373 HB3 GLU 57 2HB GLU 57 5.957 1.408 -0.567
374 HG3 GLU 57 2HG GLU 57 6.876 2.915 -2.202
375 H ALA 58 H ALA 58 3.794 2.547 0.748
376 HA ALA 58 HA ALA 58 2.749 3.740 -1.600
377 HB1 ALA 58 1HB ALA 58 1.739 2.158 0.620
378 HB2 ALA 58 2HB ALA 58 0.583 3.369 0.063
379 HB3 ALA 58 3HB ALA 58 1.238 2.188 -1.072
380 H ALA 59 H ALA 59 2.423 4.621 1.840
381 HA ALA 59 HA ALA 59 0.926 6.948 1.473
382 HB1 ALA 59 1HB ALA 59 2.275 5.645 3.631
383 HB2 ALA 59 2HB ALA 59 2.594 7.378 3.698
384 HB3 ALA 59 3HB ALA 59 0.933 6.787 3.685
385 H ARG 60 H ARG 60 4.413 6.423 1.401
386 HA ARG 60 HA ARG 60 5.238 9.097 1.389
387 HB3 ARG 60 2HB ARG 60 6.707 7.056 -0.226
388 HG3 ARG 60 2HG ARG 60 7.458 9.495 0.570
389 HD3 ARG 60 2HD ARG 60 7.385 8.100 2.979
390 HE ARG 60 HE ARG 60 9.941 7.667 1.873
391 HH11 ARG 60 1HH1 ARG 60 8.399 8.727 4.808
392 HH12 ARG 60 2HH1 ARG 60 9.692 8.201 5.833
393 HH21 ARG 60 1HH2 ARG 60 11.651 6.968 3.211
394 HH22 ARG 60 2HH2 ARG 60 11.543 7.201 4.923
395 H ALA 61 H ALA 61 4.319 6.945 -1.264
396 HA ALA 61 HA ALA 61 4.933 8.774 -3.347
397 HB1 ALA 61 1HB ALA 61 3.418 7.257 -4.705
398 HB2 ALA 61 2HB ALA 61 4.818 6.499 -3.947
399 HB3 ALA 61 3HB ALA 61 3.218 6.308 -3.232
400 H MET 62 H MET 62 1.969 8.020 -1.566
401 HA MET 62 HA MET 62 0.300 9.738 -3.105
402 HB3 MET 62 2HB MET 62 -1.356 9.381 -1.338
403 HG3 MET 62 2HG MET 62 -1.559 6.992 -1.366
404 HE1 MET 62 3HE MET 62 -3.346 7.420 -2.670
405 HE2 MET 62 1HE MET 62 -3.436 7.479 -4.431
406 HE3 MET 62 2HE MET 62 -3.004 5.974 -3.620
407 H GLY 63 H GLY 63 2.523 10.238 -0.531
408 HA2 GLY 63 2HA GLY 63 3.331 12.423 -0.016
409 HA3 GLY 63 3HA GLY 63 1.766 13.077 -0.479
410 H LEU 64 H LEU 64 1.182 10.374 1.321
411 HA LEU 64 HA LEU 64 0.161 11.834 3.518
412 HB3 LEU 64 2HB LEU 64 -0.465 9.745 4.438
413 HG LEU 64 HG LEU 64 -0.513 9.436 1.439
414 HD11 LEU 64 1HD1 LEU 64 -2.071 7.893 3.505
415 HD12 LEU 64 2HD1 LEU 64 -0.684 7.266 2.615
416 HD13 LEU 64 3HD1 LEU 64 -2.158 7.710 1.753
417 HD21 LEU 64 3HD2 LEU 64 -2.557 10.470 1.460
418 HD22 LEU 64 1HD2 LEU 64 -1.748 11.339 2.764
419 HD23 LEU 64 2HD2 LEU 64 -2.880 10.041 3.141
420 H SER 65 H SER 65 0.859 10.287 5.738
421 HA SER 65 HA SER 65 3.682 10.171 6.109
422 HB3 SER 65 2HB SER 65 3.592 12.566 6.173
423 HG SER 65 HG SER 65 2.125 13.666 7.456
424 H ALA 66 H ALA 66 1.148 11.236 8.357
425 HA ALA 66 HA ALA 66 1.837 9.254 10.280
426 HB1 ALA 66 1HB ALA 66 -0.512 10.086 11.204
427 HB2 ALA 66 2HB ALA 66 0.954 11.057 11.345
428 HB3 ALA 66 3HB ALA 66 -0.206 11.392 10.059
429 H VAL 67 H VAL 67 -0.043 9.154 7.478
430 HA VAL 67 HA VAL 67 -2.108 7.393 8.206
431 HB VAL 67 HB VAL 67 -0.722 7.702 5.539
432 HG11 VAL 67 1HG1 VAL 67 -3.058 6.083 6.419
433 HG12 VAL 67 2HG1 VAL 67 -3.111 6.841 4.827
434 HG13 VAL 67 3HG1 VAL 67 -1.813 5.716 5.226
435 HG21 VAL 67 3HG2 VAL 67 -1.797 9.746 6.475
436 HG22 VAL 67 1HG2 VAL 67 -2.512 9.190 4.961
437 HG23 VAL 67 2HG2 VAL 67 -3.332 8.876 6.491
438 H ALA 68 H ALA 68 1.240 6.895 7.974
439 HA ALA 68 HA ALA 68 1.742 4.437 7.033
440 HB1 ALA 68 1HB ALA 68 2.733 4.960 9.792
441 HB2 ALA 68 2HB ALA 68 3.594 4.350 8.380
442 HB3 ALA 68 3HB ALA 68 3.194 6.064 8.495
443 H MET 69 H MET 69 0.373 2.756 7.082
444 HA MET 69 HA MET 69 -0.840 1.000 7.866
445 HB3 MET 69 2HB MET 69 -0.147 -0.047 9.842
446 HG3 MET 69 2HG MET 69 2.315 1.571 9.648
447 HE1 MET 69 3HE MET 69 0.609 -1.487 8.541
448 HE2 MET 69 1HE MET 69 1.942 -2.641 8.472
449 HE3 MET 69 2HE MET 69 0.890 -2.595 9.886
450 HA PRO 70 HA PRO 70 -4.014 3.889 9.539
451 HB3 PRO 70 2HB PRO 70 -4.779 4.300 7.412
452 HG3 PRO 70 2HG PRO 70 -4.419 2.777 5.691
453 HD3 PRO 70 2HD PRO 70 -2.278 2.946 6.528
454 H THR 71 H THR 71 -3.884 0.455 8.999
455 HA THR 71 HA THR 71 -5.082 -0.180 11.461
456 HB THR 71 HB THR 71 -7.160 0.538 10.348
457 HG1 THR 71 1HG THR 71 -8.261 -1.562 10.659
458 HG21 THR 71 3HG2 THR 71 -6.102 -0.592 8.089
459 HG22 THR 71 1HG2 THR 71 -7.785 -0.110 8.288
460 HG23 THR 71 2HG2 THR 71 -7.309 -1.783 8.570
461 H ASN 72 H ASN 72 -5.648 -2.600 11.556
462 HA ASN 72 HA ASN 72 -3.454 -4.121 10.922
463 HB3 ASN 72 2HB ASN 72 -6.065 -5.538 10.890
464 HD21 ASN 72 1HD2 ASN 72 -5.781 -7.572 11.505
465 HD22 ASN 72 2HD2 ASN 72 -4.343 -8.211 12.217
466 H PHE 73 H PHE 73 -2.794 -5.382 9.243
467 HA PHE 73 HA PHE 73 -4.432 -5.281 6.795
468 HB3 PHE 73 2HB PHE 73 -2.118 -5.530 5.645
469 HD1 PHE 73 2HD PHE 73 -4.246 -3.994 4.896
470 HD2 PHE 73 1HD PHE 73 -0.952 -2.765 7.296
471 HE1 PHE 73 2HE PHE 73 -4.644 -1.656 4.240
472 HE2 PHE 73 1HE PHE 73 -1.345 -0.425 6.645
473 HZ PHE 73 HZ PHE 73 -3.192 0.131 5.114
474 H ALA 74 H ALA 74 -2.747 -7.230 9.048
475 HA ALA 74 HA ALA 74 -2.090 -9.490 7.587
476 HB1 ALA 74 1HB ALA 74 -3.217 -9.520 10.380
477 HB2 ALA 74 2HB ALA 74 -2.129 -10.698 9.646
478 HB3 ALA 74 3HB ALA 74 -1.557 -9.066 9.992
479 H THR 75 H THR 75 -5.184 -8.216 8.311
480 HA THR 75 HA THR 75 -6.442 -10.683 7.299
481 HB THR 75 HB THR 75 -7.033 -10.394 9.643
482 HG1 THR 75 1HG THR 75 -8.716 -11.224 8.480
483 HG21 THR 75 3HG2 THR 75 -6.849 -7.722 9.208
484 HG22 THR 75 1HG2 THR 75 -7.642 -8.445 10.607
485 HG23 THR 75 2HG2 THR 75 -8.599 -7.938 9.215
486 H ALA 76 H ALA 76 -5.552 -7.843 6.258
487 HA ALA 76 HA ALA 76 -8.094 -7.155 4.950
488 HB1 ALA 76 1HB ALA 76 -7.305 -4.964 4.654
489 HB2 ALA 76 2HB ALA 76 -6.810 -5.410 6.289
490 HB3 ALA 76 3HB ALA 76 -5.634 -5.432 4.975
491 H THR 77 H THR 77 -7.682 -6.140 2.685
492 HA THR 77 HA THR 77 -5.788 -7.858 1.218
493 HB THR 77 HB THR 77 -7.508 -7.628 -0.702
494 HG1 THR 77 1HG THR 77 -9.226 -6.534 -0.146
495 HG21 THR 77 3HG2 THR 77 -7.180 -9.514 1.394
496 HG22 THR 77 1HG2 THR 77 -7.778 -9.791 -0.242
497 HG23 THR 77 2HG2 THR 77 -8.905 -9.384 1.052
498 H VAL 78 H VAL 78 -5.374 -6.984 -1.050
499 HA VAL 78 HA VAL 78 -4.104 -4.534 -0.926
500 HB VAL 78 HB VAL 78 -4.034 -4.569 -3.383
501 HG11 VAL 78 1HG1 VAL 78 -2.763 -6.557 -3.619
502 HG12 VAL 78 2HG1 VAL 78 -2.561 -6.027 -1.948
503 HG13 VAL 78 3HG1 VAL 78 -3.651 -7.360 -2.325
504 HG21 VAL 78 3HG2 VAL 78 -6.141 -5.264 -4.090
505 HG22 VAL 78 1HG2 VAL 78 -5.113 -6.648 -4.456
506 HG23 VAL 78 2HG2 VAL 78 -6.143 -6.669 -3.025
507 H ARG 79 H ARG 79 -7.408 -5.275 -1.897
508 HA ARG 79 HA ARG 79 -8.066 -2.737 -2.935
509 HB3 ARG 79 2HB ARG 79 -10.067 -4.508 -1.568
510 HG3 ARG 79 2HG ARG 79 -10.829 -2.414 -2.663
511 HD3 ARG 79 2HD ARG 79 -9.076 -3.184 -4.681
512 HE ARG 79 HE ARG 79 -11.370 -4.401 -5.429
513 HH11 ARG 79 1HH1 ARG 79 -9.649 -1.617 -6.611
514 HH12 ARG 79 2HH1 ARG 79 -10.176 -1.823 -8.249
515 HH21 ARG 79 1HH2 ARG 79 -12.072 -4.685 -7.581
516 HH22 ARG 79 2HH2 ARG 79 -11.555 -3.568 -8.799
517 H GLU 80 H GLU 80 -8.222 -4.094 0.317
518 HA GLU 80 HA GLU 80 -9.610 -1.918 1.493
519 HB3 GLU 80 2HB GLU 80 -8.494 -2.901 3.637
520 HG3 GLU 80 2HG GLU 80 -10.128 -4.929 2.181
521 H MET 81 H MET 81 -6.162 -2.779 1.367
522 HA MET 81 HA MET 81 -5.226 -0.565 2.827
523 HB3 MET 81 2HB MET 81 -3.836 -2.216 0.710
524 HG3 MET 81 2HG MET 81 -2.493 -0.662 2.892
525 HE1 MET 81 3HE MET 81 -1.010 -2.328 3.569
526 HE2 MET 81 1HE MET 81 -1.423 -3.713 2.558
527 HE3 MET 81 2HE MET 81 0.242 -3.136 2.622
528 H ALA 82 H ALA 82 -5.684 -1.063 -0.650
529 HA ALA 82 HA ALA 82 -4.629 1.452 -1.435
530 HB1 ALA 82 1HB ALA 82 -5.082 0.808 -3.561
531 HB2 ALA 82 2HB ALA 82 -5.208 -0.773 -2.788
532 HB3 ALA 82 3HB ALA 82 -6.666 0.152 -3.144
533 H GLU 83 H GLU 83 -7.924 0.283 -0.839
534 HA GLU 83 HA GLU 83 -9.296 2.593 -1.617
535 HB3 GLU 83 2HB GLU 83 -10.998 1.702 0.177
536 HG3 GLU 83 2HG GLU 83 -11.534 -0.293 -1.325
537 H ALA 84 H ALA 84 -7.875 1.679 1.486
538 HA ALA 84 HA ALA 84 -8.875 3.793 3.028
539 HB1 ALA 84 1HB ALA 84 -7.871 2.547 4.565
540 HB2 ALA 84 2HB ALA 84 -6.935 1.699 3.334
541 HB3 ALA 84 3HB ALA 84 -6.326 3.203 4.024
542 H LEU 85 H LEU 85 -5.820 3.514 1.225
543 HA LEU 85 HA LEU 85 -4.950 6.149 1.876
544 HB3 LEU 85 2HB LEU 85 -3.203 5.773 0.234
545 HG LEU 85 HG LEU 85 -3.728 3.287 1.855
546 HD11 LEU 85 1HD1 LEU 85 -2.208 2.323 0.528
547 HD12 LEU 85 2HD1 LEU 85 -1.043 3.349 1.367
548 HD13 LEU 85 3HD1 LEU 85 -1.713 3.860 -0.183
549 HD21 LEU 85 3HD2 LEU 85 -2.930 5.859 2.591
550 HD22 LEU 85 1HD2 LEU 85 -1.455 4.892 2.591
551 HD23 LEU 85 2HD2 LEU 85 -2.838 4.391 3.565
552 H GLU 86 H GLU 86 -6.819 4.736 -0.719
553 HA GLU 86 HA GLU 86 -6.653 6.820 -2.585
554 HB3 GLU 86 2HB GLU 86 -9.148 5.192 -2.195
555 HG3 GLU 86 2HG GLU 86 -9.616 5.646 -4.318
556 H ALA 87 H ALA 87 -8.992 6.243 0.024
557 HA ALA 87 HA ALA 87 -10.661 8.426 -0.449
558 HB1 ALA 87 1HB ALA 87 -10.824 8.191 2.236
559 HB2 ALA 87 2HB ALA 87 -11.651 7.125 1.099
560 HB3 ALA 87 3HB ALA 87 -10.119 6.630 1.816
561 H ARG 88 H ARG 88 -7.678 8.191 1.435
562 HA ARG 88 HA ARG 88 -7.742 10.732 2.607
563 HB3 ARG 88 2HB ARG 88 -5.436 10.426 3.089
564 HG3 ARG 88 2HG ARG 88 -5.993 7.545 2.871
565 HD3 ARG 88 2HD ARG 88 -4.212 8.377 4.287
566 HE ARG 88 HE ARG 88 -4.681 10.410 5.247
567 HH11 ARG 88 1HH1 ARG 88 -7.216 8.150 6.007
568 HH12 ARG 88 2HH1 ARG 88 -7.976 9.192 7.164
569 HH21 ARG 88 1HH2 ARG 88 -5.672 11.792 6.767
570 HH22 ARG 88 2HH2 ARG 88 -7.098 11.263 7.595
571 H GLU 89 H GLU 89 -6.059 9.672 -0.355
572 HA GLU 89 HA GLU 89 -5.152 12.228 -1.099
573 HB3 GLU 89 2HB GLU 89 -5.132 11.095 -3.457
574 HG3 GLU 89 2HG GLU 89 -3.492 9.447 -1.660
575 H ARG 90 H ARG 90 -8.169 10.545 -1.661
576 HA ARG 90 HA ARG 90 -9.196 12.151 -3.718
577 HB3 ARG 90 2HB ARG 90 -10.625 10.629 -1.534
578 HG3 ARG 90 2HG ARG 90 -11.802 11.489 -4.160
579 HD3 ARG 90 2HD ARG 90 -12.604 9.748 -1.983
580 HE ARG 90 HE ARG 90 -14.902 11.297 -2.714
581 HH11 ARG 90 1HH1 ARG 90 -12.294 10.985 -0.428
582 HH12 ARG 90 2HH1 ARG 90 -13.134 11.813 0.841
583 HH21 ARG 90 1HH2 ARG 90 -16.018 12.388 -1.050
584 HH22 ARG 90 2HH2 ARG 90 -15.253 12.610 0.486
585 H GLU 91 H GLU 91 -8.937 12.665 -0.288
586 HA GLU 91 HA GLU 91 -10.220 15.293 -0.633
587 HB3 GLU 91 2HB GLU 91 -11.701 13.803 0.640
588 HG3 GLU 91 2HG GLU 91 -9.316 12.965 1.915
589 H ALA 92 H ALA 92 -7.446 14.686 -0.889
590 HA ALA 92 HA ALA 92 -6.048 15.303 1.515
591 HB1 ALA 92 1HB ALA 92 -5.379 14.511 -1.120
592 HB2 ALA 92 2HB ALA 92 -4.480 15.985 -0.757
593 HB3 ALA 92 3HB ALA 92 -4.338 14.581 0.302
594 HA PRO 93 HA PRO 93 -6.163 19.686 1.663
595 HB3 PRO 93 2HB PRO 93 -4.790 19.565 3.502
596 HG3 PRO 93 2HG PRO 93 -3.068 18.007 3.612
597 HD3 PRO 93 2HD PRO 93 -4.811 16.628 3.003
598 H HIS 94 H HIS 94 -6.508 20.078 -0.589
599 HA HIS 94 HA HIS 94 -4.090 20.979 -2.012
600 HB3 HIS 94 2HB HIS 94 -4.901 19.135 -3.250
601 HD1 HIS 94 1HD HIS 94 -8.026 21.260 -2.762
602 HD2 HIS 94 2HD HIS 94 -6.889 17.319 -3.421
603 HE1 HIS 94 1HE HIS 94 -10.158 19.928 -2.709
604 H LEU 95 H LEU 95 -4.840 22.547 -3.890
605 HA LEU 95 HA LEU 95 -5.716 24.907 -2.671
606 HB3 LEU 95 2HB LEU 95 -6.231 25.197 -5.397
607 HG LEU 95 HG LEU 95 -3.799 25.808 -3.758
608 HD11 LEU 95 1HD1 LEU 95 -2.484 26.132 -5.517
609 HD12 LEU 95 2HD1 LEU 95 -3.746 27.006 -6.383
610 HD13 LEU 95 3HD1 LEU 95 -3.669 25.247 -6.477
611 HD21 LEU 95 3HD2 LEU 95 -6.176 27.216 -4.751
612 HD22 LEU 95 1HD2 LEU 95 -4.660 28.102 -4.923
613 HD23 LEU 95 2HD2 LEU 95 -5.173 27.533 -3.335
614 H GLU 96 H GLU 96 -7.462 22.396 -4.367
615 HA GLU 96 HA GLU 96 -9.885 23.861 -4.691
616 HB3 GLU 96 2HB GLU 96 -10.440 21.079 -4.574
617 HG3 GLU 96 2HG GLU 96 -9.904 21.876 -7.248
618 H HIS 97 H HIS 97 -11.966 22.731 -3.721
619 HA HIS 97 HA HIS 97 -11.698 21.824 -1.006
620 HB3 HIS 97 2HB HIS 97 -13.358 23.916 -0.459
621 HD1 HIS 97 1HD HIS 97 -11.958 22.535 1.543
622 HD2 HIS 97 2HD HIS 97 -10.065 25.679 -0.404
623 HE1 HIS 97 1HE HIS 97 -10.084 23.238 3.066
624 H HIS 98 H HIS 98 -14.231 23.686 -2.675
625 HA HIS 98 HA HIS 98 -16.222 21.740 -1.976
626 HB3 HIS 98 2HB HIS 98 -17.775 23.211 -3.183
627 HD1 HIS 98 1HD HIS 98 -14.899 25.287 -1.808
628 HD2 HIS 98 2HD HIS 98 -18.803 24.206 -0.884
629 HE1 HIS 98 1HE HIS 98 -15.484 26.587 0.263
630 H HIS 99 H HIS 99 -17.116 20.177 -3.210
631 HA HIS 99 HA HIS 99 -16.975 20.086 -6.038
632 HB3 HIS 99 2HB HIS 99 -15.448 17.768 -5.116
633 HD1 HIS 99 1HD HIS 99 -14.618 16.776 -7.213
634 HD2 HIS 99 2HD HIS 99 -14.985 20.904 -7.509
635 HE1 HIS 99 1HE HIS 99 -13.972 17.341 -9.577
636 H HIS 100 H HIS 100 -17.211 18.177 -3.065
637 HA HIS 100 HA HIS 100 -19.822 17.264 -3.694
638 HB3 HIS 100 2HB HIS 100 -18.767 15.753 -5.222
639 HD1 HIS 100 1HD HIS 100 -16.327 15.767 -5.840
640 HD2 HIS 100 2HD HIS 100 -17.029 14.087 -2.106
641 HE1 HIS 100 1HE HIS 100 -14.135 14.758 -5.134
642 H HIS 101 H HIS 101 -20.718 15.882 -2.016
643 HA HIS 101 HA HIS 101 -19.378 16.353 0.546
644 HB3 HIS 101 2HB HIS 101 -22.216 15.415 0.116
645 HD1 HIS 101 1HD HIS 101 -23.723 16.109 2.220
646 HD2 HIS 101 2HD HIS 101 -19.611 16.200 2.810
647 HE1 HIS 101 1HE HIS 101 -23.402 16.146 4.714
648 H HIS 102 H HIS 102 -20.500 13.810 -1.554
649 HA HIS 102 HA HIS 102 -19.345 11.839 0.300
650 HB3 HIS 102 2HB HIS 102 -21.735 11.269 -1.453
651 HD1 HIS 102 1HD HIS 102 -21.728 10.076 2.005
652 HD2 HIS 102 2HD HIS 102 -20.447 8.678 -1.693
653 HE1 HIS 102 1HE HIS 102 -21.363 7.606 2.309
Start of MODEL 5
1 H1 MET 1 H MET 1 11.730 -6.389 -12.431
2 HA MET 1 HA MET 1 11.893 -5.144 -14.592
3 HB3 MET 1 2HB MET 1 13.181 -6.701 -15.833
4 HG3 MET 1 2HG MET 1 11.777 -8.869 -16.559
5 HE1 MET 1 3HE MET 1 13.040 -10.411 -12.963
6 HE2 MET 1 1HE MET 1 11.765 -10.622 -14.163
7 HE3 MET 1 2HE MET 1 13.284 -11.503 -14.327
8 H ALA 2 H ALA 2 9.952 -4.940 -13.019
9 HA ALA 2 HA ALA 2 7.570 -5.707 -14.538
10 HB1 ALA 2 1HB ALA 2 7.210 -7.337 -13.020
11 HB2 ALA 2 2HB ALA 2 8.223 -6.572 -11.795
12 HB3 ALA 2 3HB ALA 2 6.575 -6.001 -12.059
13 H ARG 3 H ARG 3 6.560 -3.881 -15.020
14 HA ARG 3 HA ARG 3 6.026 -1.924 -12.945
15 HB3 ARG 3 2HB ARG 3 6.792 -0.055 -14.494
16 HG3 ARG 3 2HG ARG 3 8.911 -1.884 -13.385
17 HD3 ARG 3 2HD ARG 3 9.229 1.063 -13.693
18 HE ARG 3 HE ARG 3 10.909 -0.804 -12.728
19 HH11 ARG 3 1HH1 ARG 3 10.991 1.186 -15.584
20 HH12 ARG 3 2HH1 ARG 3 12.721 1.258 -15.643
21 HH21 ARG 3 1HH2 ARG 3 13.188 -0.717 -12.795
22 HH22 ARG 3 2HH2 ARG 3 13.970 0.175 -14.056
23 H ALA 4 H ALA 4 4.496 -0.236 -13.703
24 HA ALA 4 HA ALA 4 2.380 -1.441 -15.200
25 HB1 ALA 4 1HB ALA 4 2.413 0.377 -13.229
26 HB2 ALA 4 2HB ALA 4 2.251 1.451 -14.619
27 HB3 ALA 4 3HB ALA 4 1.060 0.181 -14.343
28 H ASP 5 H ASP 5 4.701 1.157 -15.798
29 HA ASP 5 HA ASP 5 3.606 1.973 -18.283
30 HB3 ASP 5 2HB ASP 5 5.156 3.346 -16.876
31 H ASP 6 H ASP 6 5.344 -0.777 -17.363
32 HA ASP 6 HA ASP 6 6.310 -1.258 -20.093
33 HB3 ASP 6 2HB ASP 6 6.896 -2.973 -17.685
34 H THR 7 H THR 7 4.527 -2.890 -17.480
35 HA THR 7 HA THR 7 3.781 -5.194 -18.790
36 HB THR 7 HB THR 7 1.697 -5.128 -17.338
37 HG1 THR 7 1HG THR 7 1.287 -3.367 -16.205
38 HG21 THR 7 3HG2 THR 7 3.129 -6.278 -16.065
39 HG22 THR 7 1HG2 THR 7 3.461 -4.765 -15.223
40 HG23 THR 7 2HG2 THR 7 4.488 -5.271 -16.565
41 H ALA 8 H ALA 8 1.427 -2.574 -18.313
42 HA ALA 8 HA ALA 8 0.713 -2.645 -21.134
43 HB1 ALA 8 1HB ALA 8 -1.118 -3.528 -18.928
44 HB2 ALA 8 2HB ALA 8 -1.742 -2.889 -20.449
45 HB3 ALA 8 3HB ALA 8 -0.741 -4.340 -20.448
46 H LEU 9 H LEU 9 -1.124 -1.525 -18.317
47 HA LEU 9 HA LEU 9 -1.243 1.138 -19.470
48 HB3 LEU 9 2HB LEU 9 -2.627 1.443 -17.236
49 HG LEU 9 HG LEU 9 -4.682 0.519 -18.273
50 HD11 LEU 9 1HD1 LEU 9 -3.060 2.641 -19.138
51 HD12 LEU 9 2HD1 LEU 9 -4.799 2.451 -19.350
52 HD13 LEU 9 3HD1 LEU 9 -3.692 1.871 -20.593
53 HD21 LEU 9 3HD2 LEU 9 -3.399 -1.390 -19.381
54 HD22 LEU 9 1HD2 LEU 9 -2.970 -0.217 -20.626
55 HD23 LEU 9 2HD2 LEU 9 -4.665 -0.606 -20.328
56 HA PRO 10 HA PRO 10 2.191 2.514 -16.998
57 HB3 PRO 10 2HB PRO 10 2.730 3.861 -18.780
58 HG3 PRO 10 2HG PRO 10 1.082 4.702 -20.188
59 HD3 PRO 10 2HD PRO 10 0.491 2.475 -20.172
60 H ALA 11 H ALA 11 0.355 1.994 -15.265
61 HA ALA 11 HA ALA 11 -0.751 2.617 -13.371
62 HB1 ALA 11 1HB ALA 11 1.327 4.789 -13.545
63 HB2 ALA 11 2HB ALA 11 0.285 4.540 -12.143
64 HB3 ALA 11 3HB ALA 11 1.416 3.280 -12.637
65 H ALA 12 H ALA 12 -2.542 3.075 -15.024
66 HA ALA 12 HA ALA 12 -3.194 5.862 -15.422
67 HB1 ALA 12 1HB ALA 12 -4.944 5.136 -16.778
68 HB2 ALA 12 2HB ALA 12 -3.689 3.922 -17.028
69 HB3 ALA 12 3HB ALA 12 -5.053 3.574 -15.965
70 H THR 13 H THR 13 -4.353 3.173 -13.444
71 HA THR 13 HA THR 13 -6.618 4.383 -12.351
72 HB THR 13 HB THR 13 -4.843 2.511 -10.792
73 HG1 THR 13 1HG THR 13 -6.851 1.582 -12.539
74 HG21 THR 13 3HG2 THR 13 -6.632 3.128 -9.444
75 HG22 THR 13 1HG2 THR 13 -7.223 1.651 -10.204
76 HG23 THR 13 2HG2 THR 13 -7.754 3.222 -10.802
77 H GLY 14 H GLY 14 -3.462 4.008 -10.714
78 HA2 GLY 14 2HA GLY 14 -2.437 6.121 -9.870
79 HA3 GLY 14 3HA GLY 14 -4.045 6.533 -9.293
80 H ALA 15 H ALA 15 -4.489 6.087 -7.239
81 HA ALA 15 HA ALA 15 -2.603 5.013 -5.479
82 HB1 ALA 15 1HB ALA 15 -4.099 5.460 -3.818
83 HB2 ALA 15 2HB ALA 15 -4.783 6.460 -5.101
84 HB3 ALA 15 3HB ALA 15 -5.479 4.878 -4.749
85 H LEU 16 H LEU 16 -5.434 3.522 -7.003
86 HA LEU 16 HA LEU 16 -5.378 1.070 -5.674
87 HB3 LEU 16 2HB LEU 16 -6.078 0.931 -8.518
88 HG LEU 16 HG LEU 16 -8.291 0.231 -7.692
89 HD11 LEU 16 1HD1 LEU 16 -6.179 -1.274 -7.911
90 HD12 LEU 16 2HD1 LEU 16 -7.630 -1.903 -7.129
91 HD13 LEU 16 3HD1 LEU 16 -6.275 -1.342 -6.151
92 HD21 LEU 16 3HD2 LEU 16 -7.203 0.195 -4.911
93 HD22 LEU 16 1HD2 LEU 16 -8.877 0.154 -5.463
94 HD23 LEU 16 2HD2 LEU 16 -7.959 1.658 -5.541
95 H GLU 17 H GLU 17 -3.778 2.048 -8.693
96 HA GLU 17 HA GLU 17 -2.517 -0.474 -9.103
97 HB3 GLU 17 2HB GLU 17 -2.868 1.866 -10.586
98 HG3 GLU 17 2HG GLU 17 -0.640 2.583 -9.588
99 H LEU 18 H LEU 18 -1.637 2.485 -7.453
100 HA LEU 18 HA LEU 18 1.116 2.054 -7.180
101 HB3 LEU 18 2HB LEU 18 -0.445 3.315 -4.976
102 HG LEU 18 HG LEU 18 2.185 3.843 -6.265
103 HD11 LEU 18 1HD1 LEU 18 0.324 5.886 -6.078
104 HD12 LEU 18 2HD1 LEU 18 2.072 6.063 -6.218
105 HD13 LEU 18 3HD1 LEU 18 1.310 6.062 -4.628
106 HD21 LEU 18 3HD2 LEU 18 1.418 2.799 -3.877
107 HD22 LEU 18 1HD2 LEU 18 1.671 4.492 -3.452
108 HD23 LEU 18 2HD2 LEU 18 2.979 3.563 -4.186
109 H VAL 19 H VAL 19 -1.518 1.286 -4.903
110 HA VAL 19 HA VAL 19 0.075 -0.008 -2.993
111 HB VAL 19 HB VAL 19 -2.847 -0.118 -3.647
112 HG11 VAL 19 1HG1 VAL 19 -3.130 -1.554 -1.610
113 HG12 VAL 19 2HG1 VAL 19 -2.417 -2.372 -3.002
114 HG13 VAL 19 3HG1 VAL 19 -1.393 -1.856 -1.662
115 HG21 VAL 19 3HG2 VAL 19 -2.699 1.675 -2.311
116 HG22 VAL 19 1HG2 VAL 19 -2.534 0.507 -0.999
117 HG23 VAL 19 2HG2 VAL 19 -1.098 1.224 -1.729
118 H ARG 20 H ARG 20 -1.940 -1.413 -5.578
119 HA ARG 20 HA ARG 20 -1.279 -4.083 -5.148
120 HB3 ARG 20 2HB ARG 20 -1.760 -4.238 -7.713
121 HG3 ARG 20 2HG ARG 20 -3.662 -3.484 -5.558
122 HD3 ARG 20 2HD ARG 20 -4.518 -2.316 -7.542
123 HE ARG 20 HE ARG 20 -4.025 -3.403 -9.504
124 HH11 ARG 20 1HH1 ARG 20 -5.603 -5.601 -7.314
125 HH12 ARG 20 2HH1 ARG 20 -5.815 -6.842 -8.504
126 HH21 ARG 20 1HH2 ARG 20 -4.298 -5.028 -11.081
127 HH22 ARG 20 2HH2 ARG 20 -5.072 -6.515 -10.647
128 H HIS 21 H HIS 21 0.374 -1.598 -7.024
129 HA HIS 21 HA HIS 21 2.272 -3.314 -8.239
130 HB3 HIS 21 2HB HIS 21 2.541 -0.364 -7.625
131 HD1 HIS 21 1HD HIS 21 3.995 -3.264 -9.504
132 HD2 HIS 21 2HD HIS 21 4.579 0.829 -9.099
133 HE1 HIS 21 1HE HIS 21 6.191 -2.784 -10.631
134 H LEU 22 H LEU 22 2.563 -1.102 -5.456
135 HA LEU 22 HA LEU 22 5.168 -1.777 -4.736
136 HB3 LEU 22 2HB LEU 22 4.500 -0.985 -2.450
137 HG LEU 22 HG LEU 22 3.532 0.879 -4.616
138 HD11 LEU 22 1HD1 LEU 22 2.880 1.864 -2.637
139 HD12 LEU 22 2HD1 LEU 22 4.497 2.532 -2.857
140 HD13 LEU 22 3HD1 LEU 22 4.239 1.198 -1.732
141 HD21 LEU 22 3HD2 LEU 22 6.124 1.549 -3.768
142 HD22 LEU 22 1HD2 LEU 22 5.625 0.950 -5.350
143 HD23 LEU 22 2HD2 LEU 22 6.145 -0.183 -4.103
144 H VAL 23 H VAL 23 2.093 -3.252 -3.818
145 HA VAL 23 HA VAL 23 3.226 -5.087 -1.954
146 HB VAL 23 HB VAL 23 0.578 -5.222 -3.402
147 HG11 VAL 23 1HG1 VAL 23 1.599 -6.710 -0.987
148 HG12 VAL 23 2HG1 VAL 23 -0.080 -6.710 -1.532
149 HG13 VAL 23 3HG1 VAL 23 1.182 -7.394 -2.557
150 HG21 VAL 23 3HG2 VAL 23 -0.372 -3.980 -1.721
151 HG22 VAL 23 1HG2 VAL 23 0.874 -4.414 -0.550
152 HG23 VAL 23 2HG2 VAL 23 1.222 -3.230 -1.811
153 H ALA 24 H ALA 24 2.085 -5.404 -5.308
154 HA ALA 24 HA ALA 24 2.583 -8.113 -5.664
155 HB1 ALA 24 1HB ALA 24 2.808 -7.532 -8.097
156 HB2 ALA 24 2HB ALA 24 1.342 -6.939 -7.315
157 HB3 ALA 24 3HB ALA 24 2.682 -5.836 -7.630
158 H GLU 25 H GLU 25 4.749 -5.357 -6.272
159 HA GLU 25 HA GLU 25 6.939 -6.891 -7.167
160 HB3 GLU 25 2HB GLU 25 8.279 -4.863 -6.716
161 HG3 GLU 25 2HG GLU 25 6.001 -3.449 -7.756
162 H ARG 26 H ARG 26 5.717 -6.185 -4.011
163 HA ARG 26 HA ARG 26 8.142 -6.799 -2.602
164 HB3 ARG 26 2HB ARG 26 6.382 -6.992 -0.654
165 HG3 ARG 26 2HG ARG 26 6.078 -4.324 -0.988
166 HD3 ARG 26 2HD ARG 26 7.399 -5.836 0.718
167 HE ARG 26 HE ARG 26 9.428 -5.327 -1.210
168 HH11 ARG 26 1HH1 ARG 26 8.829 -5.541 2.212
169 HH12 ARG 26 2HH1 ARG 26 10.461 -5.972 2.603
170 HH21 ARG 26 1HH2 ARG 26 11.580 -5.895 -0.708
171 HH22 ARG 26 2HH2 ARG 26 12.025 -6.172 0.941
172 H ALA 27 H ALA 27 5.454 -8.585 -3.847
173 HA ALA 27 HA ALA 27 6.083 -10.947 -2.260
174 HB1 ALA 27 1HB ALA 27 4.176 -11.741 -4.048
175 HB2 ALA 27 2HB ALA 27 3.857 -11.092 -2.439
176 HB3 ALA 27 3HB ALA 27 3.805 -10.029 -3.845
177 H GLU 28 H GLU 28 7.639 -9.633 -4.664
178 HA GLU 28 HA GLU 28 9.077 -10.383 -6.261
179 HB3 GLU 28 2HB GLU 28 8.532 -13.241 -5.623
180 HG3 GLU 28 2HG GLU 28 10.559 -11.907 -6.940
181 H LEU 29 H LEU 29 6.406 -9.892 -6.980
182 HA LEU 29 HA LEU 29 6.242 -11.539 -9.374
183 HB3 LEU 29 2HB LEU 29 3.654 -11.546 -8.909
184 HG LEU 29 HG LEU 29 5.686 -13.515 -8.189
185 HD11 LEU 29 1HD1 LEU 29 4.162 -13.098 -6.082
186 HD12 LEU 29 2HD1 LEU 29 4.602 -14.729 -6.587
187 HD13 LEU 29 3HD1 LEU 29 3.018 -14.075 -7.002
188 HD21 LEU 29 3HD2 LEU 29 4.530 -13.710 -10.254
189 HD22 LEU 29 1HD2 LEU 29 2.959 -13.565 -9.465
190 HD23 LEU 29 2HD2 LEU 29 3.942 -15.008 -9.216
191 HA PRO 30 HA PRO 30 5.091 -7.793 -11.348
192 HB3 PRO 30 2HB PRO 30 5.099 -8.952 -13.332
193 HG3 PRO 30 2HG PRO 30 4.309 -11.136 -13.449
194 HD3 PRO 30 2HD PRO 30 5.733 -11.325 -11.646
195 H VAL 31 H VAL 31 3.430 -6.241 -11.609
196 HA VAL 31 HA VAL 31 1.354 -6.405 -9.647
197 HB VAL 31 HB VAL 31 2.496 -4.282 -10.155
198 HG11 VAL 31 1HG1 VAL 31 2.193 -4.972 -12.776
199 HG12 VAL 31 2HG1 VAL 31 0.946 -3.739 -12.578
200 HG13 VAL 31 3HG1 VAL 31 2.627 -3.363 -12.196
201 HG21 VAL 31 3HG2 VAL 31 0.691 -3.165 -9.463
202 HG22 VAL 31 1HG2 VAL 31 -0.189 -3.508 -10.953
203 HG23 VAL 31 2HG2 VAL 31 -0.186 -4.685 -9.639
204 H GLU 32 H GLU 32 1.582 -7.584 -12.744
205 HA GLU 32 HA GLU 32 -1.129 -7.067 -13.585
206 HB3 GLU 32 2HB GLU 32 0.590 -7.279 -15.277
207 HG3 GLU 32 2HG GLU 32 1.551 -9.414 -13.739
208 H VAL 33 H VAL 33 0.547 -9.477 -11.770
209 HA VAL 33 HA VAL 33 -1.628 -11.406 -12.020
210 HB VAL 33 HB VAL 33 -0.244 -12.907 -10.703
211 HG11 VAL 33 1HG1 VAL 33 0.314 -13.162 -12.919
212 HG12 VAL 33 2HG1 VAL 33 0.954 -11.523 -13.060
213 HG13 VAL 33 3HG1 VAL 33 1.884 -12.767 -12.222
214 HG21 VAL 33 3HG2 VAL 33 0.898 -10.543 -9.725
215 HG22 VAL 33 1HG2 VAL 33 1.325 -12.200 -9.297
216 HG23 VAL 33 2HG2 VAL 33 2.186 -11.375 -10.596
217 H LEU 34 H LEU 34 -0.769 -8.802 -10.060
218 HA LEU 34 HA LEU 34 -1.721 -9.729 -7.549
219 HB3 LEU 34 2HB LEU 34 -1.972 -6.860 -8.048
220 HG LEU 34 HG LEU 34 -0.294 -6.672 -6.215
221 HD11 LEU 34 1HD1 LEU 34 -1.862 -7.846 -4.498
222 HD12 LEU 34 2HD1 LEU 34 -2.887 -8.115 -5.907
223 HD13 LEU 34 3HD1 LEU 34 -2.450 -6.473 -5.436
224 HD21 LEU 34 3HD2 LEU 34 0.613 -8.497 -5.142
225 HD22 LEU 34 1HD2 LEU 34 0.618 -9.040 -6.820
226 HD23 LEU 34 2HD2 LEU 34 -0.642 -9.596 -5.717
227 H ARG 35 H ARG 35 -3.743 -10.115 -6.957
228 HA ARG 35 HA ARG 35 -5.928 -9.011 -8.568
229 HB3 ARG 35 2HB ARG 35 -6.785 -10.875 -6.544
230 HG3 ARG 35 2HG ARG 35 -7.722 -10.293 -8.919
231 HD3 ARG 35 2HD ARG 35 -5.548 -11.230 -9.941
232 HE ARG 35 HE ARG 35 -6.350 -13.580 -8.715
233 HH11 ARG 35 1HH1 ARG 35 -5.514 -12.501 -11.917
234 HH12 ARG 35 2HH1 ARG 35 -4.909 -14.044 -12.421
235 HH21 ARG 35 1HH2 ARG 35 -5.557 -15.617 -9.366
236 HH22 ARG 35 2HH2 ARG 35 -4.935 -15.816 -10.969
237 H ASP 36 H ASP 36 -7.845 -8.202 -7.499
238 HA ASP 36 HA ASP 36 -7.207 -6.386 -5.394
239 HB3 ASP 36 2HB ASP 36 -9.565 -5.712 -5.545
240 H ASP 37 H ASP 37 -8.220 -9.619 -5.454
241 HA ASP 37 HA ASP 37 -9.226 -9.454 -2.694
242 HB3 ASP 37 2HB ASP 37 -10.390 -11.505 -3.064
243 H SER 38 H SER 38 -6.384 -9.610 -3.845
244 HA SER 38 HA SER 38 -5.430 -12.143 -2.813
245 HB3 SER 38 2HB SER 38 -3.403 -11.651 -3.819
246 HG SER 38 HG SER 38 -4.473 -11.521 -5.640
247 H ARG 39 H ARG 39 -5.787 -12.142 -0.620
248 HA ARG 39 HA ARG 39 -5.446 -10.088 1.182
249 HB3 ARG 39 2HB ARG 39 -5.220 -11.786 2.902
250 HG3 ARG 39 2HG ARG 39 -6.924 -13.353 1.103
251 HD3 ARG 39 2HD ARG 39 -6.721 -12.869 3.815
252 HE ARG 39 HE ARG 39 -8.386 -10.865 2.973
253 HH11 ARG 39 1HH1 ARG 39 -8.712 -13.700 4.968
254 HH12 ARG 39 2HH1 ARG 39 -9.954 -13.017 5.963
255 HH21 ARG 39 1HH2 ARG 39 -10.022 -9.954 4.277
256 HH22 ARG 39 2HH2 ARG 39 -10.699 -10.886 5.569
257 H PHE 40 H PHE 40 -3.740 -9.743 2.792
258 HA PHE 40 HA PHE 40 -1.159 -9.601 1.499
259 HB3 PHE 40 2HB PHE 40 -0.488 -8.296 3.473
260 HD1 PHE 40 1HD PHE 40 -0.742 -7.196 1.072
261 HD2 PHE 40 2HD PHE 40 -3.703 -7.124 4.131
262 HE1 PHE 40 1HE PHE 40 -1.759 -5.208 0.037
263 HE2 PHE 40 2HE PHE 40 -4.723 -5.137 3.100
264 HZ PHE 40 HZ PHE 40 -3.752 -4.177 1.050
265 H LEU 41 H LEU 41 -2.431 -12.176 2.556
266 HA LEU 41 HA LEU 41 0.027 -13.251 3.649
267 HB3 LEU 41 2HB LEU 41 -0.850 -14.099 5.651
268 HG LEU 41 HG LEU 41 -0.654 -11.469 5.560
269 HD11 LEU 41 1HD1 LEU 41 -3.586 -11.903 6.110
270 HD12 LEU 41 2HD1 LEU 41 -2.907 -11.110 4.689
271 HD13 LEU 41 3HD1 LEU 41 -2.711 -10.382 6.283
272 HD21 LEU 41 3HD2 LEU 41 -0.274 -11.904 7.700
273 HD22 LEU 41 1HD2 LEU 41 -1.173 -13.416 7.579
274 HD23 LEU 41 2HD2 LEU 41 -2.014 -11.922 7.992
275 H ASP 42 H ASP 42 -3.228 -13.701 2.453
276 HA ASP 42 HA ASP 42 -3.048 -16.544 2.196
277 HB3 ASP 42 2HB ASP 42 -4.918 -14.822 0.591
278 H ASP 43 H ASP 43 -3.204 -13.980 -0.283
279 HA ASP 43 HA ASP 43 -1.785 -15.778 -2.121
280 HB3 ASP 43 2HB ASP 43 -2.627 -13.483 -3.516
281 H LEU 44 H LEU 44 -1.052 -13.448 0.020
282 HA LEU 44 HA LEU 44 1.168 -12.420 -1.624
283 HB3 LEU 44 2HB LEU 44 1.137 -10.433 -0.103
284 HG LEU 44 HG LEU 44 -1.423 -10.839 -1.647
285 HD11 LEU 44 1HD1 LEU 44 -1.284 -8.270 -1.684
286 HD12 LEU 44 2HD1 LEU 44 -0.242 -8.455 -0.273
287 HD13 LEU 44 3HD1 LEU 44 -1.897 -9.059 -0.232
288 HD21 LEU 44 3HD2 LEU 44 0.706 -11.020 -2.936
289 HD22 LEU 44 1HD2 LEU 44 1.091 -9.375 -2.434
290 HD23 LEU 44 2HD2 LEU 44 -0.330 -9.682 -3.432
291 H HIS 45 H HIS 45 0.161 -13.909 1.326
292 HA HIS 45 HA HIS 45 1.285 -14.653 3.172
293 HB3 HIS 45 2HB HIS 45 3.571 -15.069 1.245
294 HD1 HIS 45 1HD HIS 45 5.373 -16.449 2.236
295 HD2 HIS 45 2HD HIS 45 1.834 -16.730 4.395
296 HE1 HIS 45 1HE HIS 45 5.925 -17.847 4.251
297 H MET 46 H MET 46 1.322 -11.981 3.240
298 HA MET 46 HA MET 46 4.104 -11.225 3.825
299 HB3 MET 46 2HB MET 46 3.492 -8.954 3.504
300 HG3 MET 46 2HG MET 46 2.045 -9.056 1.328
301 HE1 MET 46 3HE MET 46 3.197 -7.543 0.531
302 HE2 MET 46 1HE MET 46 4.936 -7.296 0.693
303 HE3 MET 46 2HE MET 46 4.279 -7.990 -0.789
304 H SER 47 H SER 47 4.713 -10.931 5.869
305 HA SER 47 HA SER 47 2.896 -11.426 8.011
306 HB3 SER 47 2HB SER 47 4.807 -11.164 9.464
307 HG SER 47 HG SER 47 6.038 -12.735 8.611
308 H SER 48 H SER 48 2.399 -10.004 9.765
309 HA SER 48 HA SER 48 1.300 -7.591 9.093
310 HB3 SER 48 2HB SER 48 0.613 -8.373 11.168
311 HG SER 48 HG SER 48 2.099 -9.823 11.780
312 H ILE 49 H ILE 49 4.590 -8.222 10.190
313 HA ILE 49 HA ILE 49 5.328 -5.465 10.360
314 HB ILE 49 HB ILE 49 7.066 -7.929 10.181
315 HG13 ILE 49 2HG1 ILE 49 7.339 -7.547 12.635
316 HG21 ILE 49 1HG2 ILE 49 7.799 -5.122 11.004
317 HG22 ILE 49 2HG2 ILE 49 8.870 -6.522 10.992
318 HG23 ILE 49 3HG2 ILE 49 8.234 -5.886 9.475
319 HD11 ILE 49 3HD1 ILE 49 6.561 -5.137 12.564
320 HD12 ILE 49 1HD1 ILE 49 4.922 -5.783 12.473
321 HD13 ILE 49 2HD1 ILE 49 5.935 -6.142 13.872
322 H THR 50 H THR 50 5.747 -8.019 7.947
323 HA THR 50 HA THR 50 7.388 -6.611 6.165
324 HB THR 50 HB THR 50 5.359 -8.777 5.586
325 HG1 THR 50 1HG THR 50 7.047 -9.456 6.949
326 HG21 THR 50 3HG2 THR 50 5.992 -7.402 3.591
327 HG22 THR 50 1HG2 THR 50 6.448 -9.101 3.475
328 HG23 THR 50 2HG2 THR 50 7.666 -7.885 3.858
329 H VAL 51 H VAL 51 3.887 -6.685 6.545
330 HA VAL 51 HA VAL 51 3.190 -5.345 4.178
331 HB VAL 51 HB VAL 51 1.673 -5.036 6.757
332 HG11 VAL 51 1HG1 VAL 51 1.036 -4.903 3.843
333 HG12 VAL 51 2HG1 VAL 51 -0.223 -5.353 4.994
334 HG13 VAL 51 3HG1 VAL 51 0.593 -3.796 5.142
335 HG21 VAL 51 3HG2 VAL 51 0.615 -7.235 5.406
336 HG22 VAL 51 1HG2 VAL 51 2.360 -7.490 5.406
337 HG23 VAL 51 2HG2 VAL 51 1.504 -7.250 6.930
338 H GLY 52 H GLY 52 3.740 -4.079 7.464
339 HA2 GLY 52 2HA GLY 52 3.260 -1.383 6.905
340 HA3 GLY 52 3HA GLY 52 4.288 -1.976 8.201
341 H GLN 53 H GLN 53 6.039 -3.358 6.213
342 HA GLN 53 HA GLN 53 7.932 -1.286 5.889
343 HB3 GLN 53 2HB GLN 53 9.220 -2.961 4.594
344 HG3 GLN 53 2HG GLN 53 9.791 -4.266 6.352
345 HE21 GLN 53 1HE2 GLN 53 7.648 -3.835 8.717
346 HE22 GLN 53 2HE2 GLN 53 8.216 -2.353 9.399
347 H LEU 54 H LEU 54 5.834 -2.968 3.569
348 HA LEU 54 HA LEU 54 6.696 -1.277 1.392
349 HB3 LEU 54 2HB LEU 54 5.923 -3.753 1.319
350 HG LEU 54 HG LEU 54 3.543 -3.010 2.215
351 HD11 LEU 54 1HD1 LEU 54 3.495 -1.538 -0.009
352 HD12 LEU 54 2HD1 LEU 54 2.043 -2.246 0.700
353 HD13 LEU 54 3HD1 LEU 54 2.840 -3.041 -0.657
354 HD21 LEU 54 3HD2 LEU 54 2.750 -4.917 0.441
355 HD22 LEU 54 1HD2 LEU 54 3.571 -5.236 1.968
356 HD23 LEU 54 2HD2 LEU 54 4.497 -5.160 0.470
357 H VAL 55 H VAL 55 4.005 -1.474 3.616
358 HA VAL 55 HA VAL 55 2.161 0.165 2.313
359 HB VAL 55 HB VAL 55 2.109 -1.170 4.644
360 HG11 VAL 55 1HG1 VAL 55 2.170 0.186 6.537
361 HG12 VAL 55 2HG1 VAL 55 3.564 0.728 5.599
362 HG13 VAL 55 3HG1 VAL 55 2.073 1.673 5.593
363 HG21 VAL 55 3HG2 VAL 55 -0.059 -0.128 5.056
364 HG22 VAL 55 1HG2 VAL 55 0.363 1.197 3.970
365 HG23 VAL 55 2HG2 VAL 55 0.173 -0.437 3.335
366 H ASN 56 H ASN 56 5.071 0.953 4.053
367 HA ASN 56 HA ASN 56 4.507 3.704 4.480
368 HB3 ASN 56 2HB ASN 56 7.266 3.510 4.362
369 HD21 ASN 56 1HD2 ASN 56 5.518 1.664 6.766
370 HD22 ASN 56 2HD2 ASN 56 5.603 2.853 8.018
371 H GLU 57 H GLU 57 6.100 1.901 1.900
372 HA GLU 57 HA GLU 57 7.123 4.083 0.463
373 HB3 GLU 57 2HB GLU 57 6.118 1.603 -0.895
374 HG3 GLU 57 2HG GLU 57 7.323 3.416 -2.161
375 H ALA 58 H ALA 58 3.945 2.596 0.511
376 HA ALA 58 HA ALA 58 2.900 3.862 -1.787
377 HB1 ALA 58 1HB ALA 58 1.679 2.550 0.607
378 HB2 ALA 58 2HB ALA 58 0.666 3.405 -0.556
379 HB3 ALA 58 3HB ALA 58 1.656 2.042 -1.081
380 H ALA 59 H ALA 59 2.566 4.668 1.670
381 HA ALA 59 HA ALA 59 1.041 6.958 1.440
382 HB1 ALA 59 1HB ALA 59 2.585 5.694 3.468
383 HB2 ALA 59 2HB ALA 59 2.929 7.425 3.498
384 HB3 ALA 59 3HB ALA 59 1.266 6.853 3.643
385 H ARG 60 H ARG 60 4.535 6.579 1.086
386 HA ARG 60 HA ARG 60 5.235 9.286 0.983
387 HB3 ARG 60 2HB ARG 60 6.625 7.207 -0.679
388 HG3 ARG 60 2HG ARG 60 7.321 9.761 -0.181
389 HD3 ARG 60 2HD ARG 60 7.613 8.696 2.302
390 HE ARG 60 HE ARG 60 9.731 7.535 1.108
391 HH11 ARG 60 1HH1 ARG 60 9.444 10.121 3.422
392 HH12 ARG 60 2HH1 ARG 60 10.966 9.786 4.179
393 HH21 ARG 60 1HH2 ARG 60 11.736 7.084 2.098
394 HH22 ARG 60 2HH2 ARG 60 12.269 8.059 3.426
395 H ALA 61 H ALA 61 4.287 7.050 -1.603
396 HA ALA 61 HA ALA 61 4.602 8.927 -3.711
397 HB1 ALA 61 1HB ALA 61 3.162 7.281 -4.985
398 HB2 ALA 61 2HB ALA 61 4.658 6.644 -4.303
399 HB3 ALA 61 3HB ALA 61 3.118 6.320 -3.507
400 H MET 62 H MET 62 1.825 7.881 -1.776
401 HA MET 62 HA MET 62 -0.072 9.469 -3.190
402 HB3 MET 62 2HB MET 62 -1.609 8.900 -1.394
403 HG3 MET 62 2HG MET 62 -1.586 6.531 -1.450
404 HE1 MET 62 3HE MET 62 -2.912 8.325 -2.782
405 HE2 MET 62 1HE MET 62 -2.256 9.085 -4.233
406 HE3 MET 62 2HE MET 62 -3.346 7.707 -4.376
407 H GLY 63 H GLY 63 2.390 10.281 -1.078
408 HA2 GLY 63 2HA GLY 63 2.983 12.315 -0.175
409 HA3 GLY 63 3HA GLY 63 1.572 13.010 -0.957
410 H LEU 64 H LEU 64 1.969 10.525 1.565
411 HA LEU 64 HA LEU 64 0.068 12.048 3.214
412 HB3 LEU 64 2HB LEU 64 -0.636 10.040 4.196
413 HG LEU 64 HG LEU 64 -0.054 9.052 1.413
414 HD11 LEU 64 1HD1 LEU 64 -2.417 8.554 3.210
415 HD12 LEU 64 2HD1 LEU 64 -1.009 7.495 3.131
416 HD13 LEU 64 3HD1 LEU 64 -2.014 7.735 1.701
417 HD21 LEU 64 3HD2 LEU 64 -2.611 10.144 1.454
418 HD22 LEU 64 1HD2 LEU 64 -1.197 10.785 0.618
419 HD23 LEU 64 2HD2 LEU 64 -1.594 11.353 2.240
420 H SER 65 H SER 65 0.540 10.770 5.641
421 HA SER 65 HA SER 65 3.337 10.968 6.309
422 HB3 SER 65 2HB SER 65 1.373 13.040 7.311
423 HG SER 65 HG SER 65 2.991 13.703 8.677
424 H ALA 66 H ALA 66 0.414 11.578 8.233
425 HA ALA 66 HA ALA 66 1.196 9.580 10.153
426 HB1 ALA 66 1HB ALA 66 -1.489 10.507 10.544
427 HB2 ALA 66 2HB ALA 66 -0.053 10.795 11.527
428 HB3 ALA 66 3HB ALA 66 -0.428 11.868 10.178
429 H VAL 67 H VAL 67 -0.581 9.573 7.275
430 HA VAL 67 HA VAL 67 -2.583 7.681 7.811
431 HB VAL 67 HB VAL 67 -1.107 8.154 5.217
432 HG11 VAL 67 1HG1 VAL 67 -3.484 6.515 5.945
433 HG12 VAL 67 2HG1 VAL 67 -3.465 7.335 4.382
434 HG13 VAL 67 3HG1 VAL 67 -2.194 6.182 4.790
435 HG21 VAL 67 3HG2 VAL 67 -2.057 10.209 5.743
436 HG22 VAL 67 1HG2 VAL 67 -3.297 9.445 4.749
437 HG23 VAL 67 2HG2 VAL 67 -3.468 9.475 6.505
438 H ALA 68 H ALA 68 0.800 7.344 7.644
439 HA ALA 68 HA ALA 68 1.325 4.889 6.605
440 HB1 ALA 68 1HB ALA 68 2.607 5.205 9.203
441 HB2 ALA 68 2HB ALA 68 3.316 5.120 7.589
442 HB3 ALA 68 3HB ALA 68 2.696 6.654 8.201
443 H MET 69 H MET 69 0.072 3.137 6.793
444 HA MET 69 HA MET 69 -0.948 1.320 7.709
445 HB3 MET 69 2HB MET 69 -0.153 0.454 9.733
446 HG3 MET 69 2HG MET 69 2.190 2.205 9.469
447 HE1 MET 69 3HE MET 69 0.831 -0.982 8.155
448 HE2 MET 69 1HE MET 69 1.999 -2.223 8.606
449 HE3 MET 69 2HE MET 69 0.716 -1.772 9.728
450 HA PRO 70 HA PRO 70 -4.317 4.054 9.250
451 HB3 PRO 70 2HB PRO 70 -5.141 4.261 7.116
452 HG3 PRO 70 2HG PRO 70 -4.684 2.660 5.493
453 HD3 PRO 70 2HD PRO 70 -2.552 3.051 6.277
454 H THR 71 H THR 71 -4.167 0.573 8.720
455 HA THR 71 HA THR 71 -5.181 0.004 11.316
456 HB THR 71 HB THR 71 -7.309 0.571 10.128
457 HG1 THR 71 1HG THR 71 -8.328 -1.478 10.776
458 HG21 THR 71 3HG2 THR 71 -6.215 -0.919 8.061
459 HG22 THR 71 1HG2 THR 71 -7.873 -0.328 8.160
460 HG23 THR 71 2HG2 THR 71 -7.482 -1.957 8.710
461 H ASN 72 H ASN 72 -5.690 -2.464 11.468
462 HA ASN 72 HA ASN 72 -3.409 -3.893 10.908
463 HB3 ASN 72 2HB ASN 72 -6.088 -5.257 10.985
464 HD21 ASN 72 1HD2 ASN 72 -5.617 -6.748 13.187
465 HD22 ASN 72 2HD2 ASN 72 -4.270 -7.798 12.925
466 H PHE 73 H PHE 73 -2.734 -5.291 9.312
467 HA PHE 73 HA PHE 73 -4.329 -5.297 6.834
468 HB3 PHE 73 2HB PHE 73 -2.019 -5.475 5.694
469 HD1 PHE 73 2HD PHE 73 -4.093 -4.011 4.832
470 HD2 PHE 73 1HD PHE 73 -1.000 -2.654 7.423
471 HE1 PHE 73 2HE PHE 73 -4.548 -1.689 4.155
472 HE2 PHE 73 1HE PHE 73 -1.451 -0.331 6.751
473 HZ PHE 73 HZ PHE 73 -3.227 0.154 5.113
474 H ALA 74 H ALA 74 -3.054 -7.146 9.272
475 HA ALA 74 HA ALA 74 -2.152 -9.433 7.859
476 HB1 ALA 74 1HB ALA 74 -3.313 -9.474 10.631
477 HB2 ALA 74 2HB ALA 74 -2.071 -10.522 9.942
478 HB3 ALA 74 3HB ALA 74 -1.705 -8.832 10.289
479 H THR 75 H THR 75 -5.183 -8.106 8.063
480 HA THR 75 HA THR 75 -6.420 -10.649 7.284
481 HB THR 75 HB THR 75 -7.056 -10.333 9.611
482 HG1 THR 75 1HG THR 75 -8.931 -11.059 8.979
483 HG21 THR 75 3HG2 THR 75 -6.943 -7.647 9.084
484 HG22 THR 75 1HG2 THR 75 -7.641 -8.369 10.534
485 HG23 THR 75 2HG2 THR 75 -8.681 -7.936 9.175
486 H ALA 76 H ALA 76 -5.570 -7.797 6.224
487 HA ALA 76 HA ALA 76 -8.101 -7.174 4.864
488 HB1 ALA 76 1HB ALA 76 -7.308 -4.983 4.507
489 HB2 ALA 76 2HB ALA 76 -6.881 -5.380 6.172
490 HB3 ALA 76 3HB ALA 76 -5.651 -5.434 4.910
491 H THR 77 H THR 77 -7.676 -6.201 2.583
492 HA THR 77 HA THR 77 -5.799 -7.981 1.167
493 HB THR 77 HB THR 77 -7.492 -7.585 -0.795
494 HG1 THR 77 1HG THR 77 -9.506 -7.038 -0.189
495 HG21 THR 77 3HG2 THR 77 -7.755 -9.473 1.517
496 HG22 THR 77 1HG2 THR 77 -7.189 -9.790 -0.123
497 HG23 THR 77 2HG2 THR 77 -8.906 -9.530 0.182
498 H VAL 78 H VAL 78 -5.252 -7.137 -1.072
499 HA VAL 78 HA VAL 78 -3.887 -4.737 -0.907
500 HB VAL 78 HB VAL 78 -3.510 -4.868 -3.253
501 HG11 VAL 78 1HG1 VAL 78 -3.662 -7.702 -3.180
502 HG12 VAL 78 2HG1 VAL 78 -2.254 -6.669 -2.929
503 HG13 VAL 78 3HG1 VAL 78 -3.265 -7.132 -1.560
504 HG21 VAL 78 3HG2 VAL 78 -5.799 -5.034 -4.022
505 HG22 VAL 78 1HG2 VAL 78 -4.838 -6.334 -4.727
506 HG23 VAL 78 2HG2 VAL 78 -5.924 -6.673 -3.381
507 H ARG 79 H ARG 79 -7.173 -5.361 -1.994
508 HA ARG 79 HA ARG 79 -7.668 -2.798 -3.087
509 HB3 ARG 79 2HB ARG 79 -9.537 -4.909 -2.007
510 HG3 ARG 79 2HG ARG 79 -11.057 -3.563 -3.760
511 HD3 ARG 79 2HD ARG 79 -10.749 -3.034 -0.809
512 HE ARG 79 HE ARG 79 -12.524 -1.751 -2.605
513 HH11 ARG 79 1HH1 ARG 79 -12.396 -3.253 0.532
514 HH12 ARG 79 2HH1 ARG 79 -13.709 -2.323 1.175
515 HH21 ARG 79 1HH2 ARG 79 -14.254 -0.520 -1.771
516 HH22 ARG 79 2HH2 ARG 79 -14.766 -0.770 -0.136
517 H GLU 80 H GLU 80 -8.094 -4.174 0.134
518 HA GLU 80 HA GLU 80 -9.511 -2.015 1.262
519 HB3 GLU 80 2HB GLU 80 -8.616 -2.946 3.451
520 HG3 GLU 80 2HG GLU 80 -9.963 -4.820 1.525
521 H MET 81 H MET 81 -6.041 -2.796 1.262
522 HA MET 81 HA MET 81 -5.213 -0.547 2.738
523 HB3 MET 81 2HB MET 81 -3.711 -2.204 0.704
524 HG3 MET 81 2HG MET 81 -2.382 -0.695 2.901
525 HE1 MET 81 3HE MET 81 -0.922 -2.362 3.329
526 HE2 MET 81 1HE MET 81 -1.032 -3.674 2.154
527 HE3 MET 81 2HE MET 81 0.489 -2.808 2.369
528 H ALA 82 H ALA 82 -5.614 -1.079 -0.732
529 HA ALA 82 HA ALA 82 -4.530 1.418 -1.541
530 HB1 ALA 82 1HB ALA 82 -5.332 0.901 -3.713
531 HB2 ALA 82 2HB ALA 82 -4.811 -0.621 -2.989
532 HB3 ALA 82 3HB ALA 82 -6.528 -0.230 -3.076
533 H GLU 83 H GLU 83 -7.879 0.274 -1.138
534 HA GLU 83 HA GLU 83 -9.155 2.655 -1.857
535 HB3 GLU 83 2HB GLU 83 -10.933 1.655 -0.128
536 HG3 GLU 83 2HG GLU 83 -11.757 0.130 -1.848
537 H ALA 84 H ALA 84 -7.805 1.588 1.206
538 HA ALA 84 HA ALA 84 -8.892 3.698 2.775
539 HB1 ALA 84 1HB ALA 84 -8.220 2.243 4.318
540 HB2 ALA 84 2HB ALA 84 -7.138 1.434 3.184
541 HB3 ALA 84 3HB ALA 84 -6.586 2.858 4.065
542 H LEU 85 H LEU 85 -5.826 3.225 1.080
543 HA LEU 85 HA LEU 85 -4.622 5.623 2.034
544 HB3 LEU 85 2HB LEU 85 -3.194 5.186 -0.139
545 HG LEU 85 HG LEU 85 -3.106 3.227 2.156
546 HD11 LEU 85 1HD1 LEU 85 -1.835 2.221 0.499
547 HD12 LEU 85 2HD1 LEU 85 -0.644 3.170 1.389
548 HD13 LEU 85 3HD1 LEU 85 -1.273 3.763 -0.148
549 HD21 LEU 85 3HD2 LEU 85 -2.704 5.950 2.214
550 HD22 LEU 85 1HD2 LEU 85 -1.075 5.305 2.010
551 HD23 LEU 85 2HD2 LEU 85 -2.066 4.782 3.372
552 H GLU 86 H GLU 86 -6.300 4.748 -0.967
553 HA GLU 86 HA GLU 86 -5.970 7.229 -2.259
554 HB3 GLU 86 2HB GLU 86 -6.770 4.936 -3.192
555 HG3 GLU 86 2HG GLU 86 -9.412 6.201 -2.501
556 H ALA 87 H ALA 87 -8.335 6.049 0.041
557 HA ALA 87 HA ALA 87 -10.243 8.107 -0.278
558 HB1 ALA 87 1HB ALA 87 -10.673 7.380 2.254
559 HB2 ALA 87 2HB ALA 87 -11.182 6.399 0.879
560 HB3 ALA 87 3HB ALA 87 -9.690 6.011 1.735
561 H ARG 88 H ARG 88 -7.558 7.707 2.021
562 HA ARG 88 HA ARG 88 -7.955 10.038 3.494
563 HB3 ARG 88 2HB ARG 88 -5.719 9.777 4.278
564 HG3 ARG 88 2HG ARG 88 -5.731 6.980 3.852
565 HD3 ARG 88 2HD ARG 88 -5.082 7.946 5.933
566 HE ARG 88 HE ARG 88 -7.438 9.522 5.744
567 HH11 ARG 88 1HH1 ARG 88 -5.284 8.012 8.025
568 HH12 ARG 88 2HH1 ARG 88 -5.627 9.141 9.294
569 HH21 ARG 88 1HH2 ARG 88 -7.896 11.015 7.407
570 HH22 ARG 88 2HH2 ARG 88 -7.113 10.847 8.942
571 H GLU 89 H GLU 89 -5.557 9.571 0.889
572 HA GLU 89 HA GLU 89 -4.803 12.231 0.637
573 HB3 GLU 89 2HB GLU 89 -3.451 10.639 -0.447
574 HG3 GLU 89 2HG GLU 89 -5.834 9.310 -1.071
575 H ARG 90 H ARG 90 -7.562 10.535 -0.690
576 HA ARG 90 HA ARG 90 -8.335 12.443 -2.610
577 HB3 ARG 90 2HB ARG 90 -9.874 10.353 -1.080
578 HG3 ARG 90 2HG ARG 90 -11.342 10.934 -3.350
579 HD3 ARG 90 2HD ARG 90 -11.847 10.453 -0.754
580 HE ARG 90 HE ARG 90 -11.801 13.266 -0.822
581 HH11 ARG 90 1HH1 ARG 90 -13.794 10.625 0.267
582 HH12 ARG 90 2HH1 ARG 90 -14.511 11.528 1.560
583 HH21 ARG 90 1HH2 ARG 90 -12.739 14.464 0.877
584 HH22 ARG 90 2HH2 ARG 90 -13.910 13.712 1.905
585 H GLU 91 H GLU 91 -8.846 12.227 0.844
586 HA GLU 91 HA GLU 91 -10.651 14.524 0.799
587 HB3 GLU 91 2HB GLU 91 -9.737 12.839 3.137
588 HG3 GLU 91 2HG GLU 91 -11.694 15.063 2.879
589 H ALA 92 H ALA 92 -7.363 13.749 1.325
590 HA ALA 92 HA ALA 92 -6.852 16.211 2.817
591 HB1 ALA 92 1HB ALA 92 -5.486 14.747 3.834
592 HB2 ALA 92 2HB ALA 92 -5.434 13.666 2.441
593 HB3 ALA 92 3HB ALA 92 -4.407 15.099 2.484
594 HA PRO 93 HA PRO 93 -5.325 18.530 -0.581
595 HB3 PRO 93 2HB PRO 93 -4.828 20.210 0.906
596 HG3 PRO 93 2HG PRO 93 -3.981 19.730 3.018
597 HD3 PRO 93 2HD PRO 93 -5.791 18.303 2.983
598 H HIS 94 H HIS 94 -4.652 16.962 -2.057
599 HA HIS 94 HA HIS 94 -2.292 15.458 -1.884
600 HB3 HIS 94 2HB HIS 94 -3.327 16.289 -4.558
601 HD1 HIS 94 1HD HIS 94 -2.087 14.877 -6.144
602 HD2 HIS 94 2HD HIS 94 -2.728 12.924 -2.533
603 HE1 HIS 94 1HE HIS 94 -1.036 12.608 -6.411
604 H LEU 95 H LEU 95 -0.498 15.657 -3.586
605 HA LEU 95 HA LEU 95 0.846 18.129 -3.138
606 HB3 LEU 95 2HB LEU 95 2.013 15.977 -3.293
607 HG LEU 95 HG LEU 95 0.729 15.719 -5.852
608 HD11 LEU 95 1HD1 LEU 95 2.745 16.728 -6.762
609 HD12 LEU 95 2HD1 LEU 95 2.676 15.010 -7.156
610 HD13 LEU 95 3HD1 LEU 95 3.741 15.576 -5.870
611 HD21 LEU 95 3HD2 LEU 95 0.926 14.030 -4.027
612 HD22 LEU 95 1HD2 LEU 95 2.634 13.865 -4.434
613 HD23 LEU 95 2HD2 LEU 95 1.399 13.437 -5.619
614 H GLU 96 H GLU 96 2.140 18.838 -5.367
615 HA GLU 96 HA GLU 96 0.208 20.338 -6.794
616 HB3 GLU 96 2HB GLU 96 2.967 19.896 -7.866
617 HG3 GLU 96 2HG GLU 96 0.965 21.739 -8.406
618 H HIS 97 H HIS 97 -1.253 18.957 -7.780
619 HA HIS 97 HA HIS 97 -0.630 18.100 -10.388
620 HB3 HIS 97 2HB HIS 97 -1.279 15.725 -8.692
621 HD1 HIS 97 1HD HIS 97 -1.493 13.790 -10.205
622 HD2 HIS 97 2HD HIS 97 0.916 16.755 -11.836
623 HE1 HIS 97 1HE HIS 97 -0.869 12.964 -12.497
624 H HIS 98 H HIS 98 -2.483 16.950 -11.421
625 HA HIS 98 HA HIS 98 -5.010 17.166 -9.983
626 HB3 HIS 98 2HB HIS 98 -4.584 18.541 -12.643
627 HD1 HIS 98 1HD HIS 98 -6.949 19.214 -9.760
628 HD2 HIS 98 2HD HIS 98 -7.035 18.178 -13.782
629 HE1 HIS 98 1HE HIS 98 -9.374 19.296 -10.424
630 H HIS 99 H HIS 99 -6.353 15.545 -10.478
631 HA HIS 99 HA HIS 99 -6.510 14.360 -13.063
632 HB3 HIS 99 2HB HIS 99 -5.775 12.173 -11.315
633 HD1 HIS 99 1HD HIS 99 -2.862 12.290 -12.994
634 HD2 HIS 99 2HD HIS 99 -6.768 12.106 -14.398
635 HE1 HIS 99 1HE HIS 99 -2.698 11.336 -15.315
636 H HIS 100 H HIS 100 -8.624 14.047 -13.213
637 HA HIS 100 HA HIS 100 -10.761 13.426 -12.745
638 HB3 HIS 100 2HB HIS 100 -11.123 11.500 -11.329
639 HD1 HIS 100 1HD HIS 100 -10.891 11.096 -14.087
640 HD2 HIS 100 2HD HIS 100 -7.668 10.103 -11.662
641 HE1 HIS 100 1HE HIS 100 -9.496 9.504 -15.444
642 H HIS 101 H HIS 101 -12.429 13.332 -10.894
643 HA HIS 101 HA HIS 101 -11.979 15.691 -9.247
644 HB3 HIS 101 2HB HIS 101 -14.492 15.170 -8.678
645 HD1 HIS 101 1HD HIS 101 -15.612 17.262 -9.347
646 HD2 HIS 101 2HD HIS 101 -12.968 15.933 -12.264
647 HE1 HIS 101 1HE HIS 101 -15.664 19.014 -11.150
648 H HIS 102 H HIS 102 -13.193 15.531 -7.012
649 HA HIS 102 HA HIS 102 -13.021 14.790 -4.866
650 HB3 HIS 102 2HB HIS 102 -13.115 12.011 -5.044
651 HD1 HIS 102 1HD HIS 102 -14.544 11.760 -3.051
652 HD2 HIS 102 2HD HIS 102 -16.043 14.619 -5.665
653 HE1 HIS 102 1HE HIS 102 -16.706 12.538 -2.029
Start of MODEL 6
1 H1 MET 1 H MET 1 2.521 -10.400 -23.994
2 HA MET 1 HA MET 1 1.108 -7.961 -24.589
3 HB3 MET 1 2HB MET 1 -0.504 -8.931 -22.826
4 HG3 MET 1 2HG MET 1 -0.528 -9.259 -25.428
5 HE1 MET 1 3HE MET 1 -2.061 -11.747 -26.300
6 HE2 MET 1 1HE MET 1 -1.176 -13.271 -26.356
7 HE3 MET 1 2HE MET 1 -1.927 -12.742 -24.850
8 H ALA 2 H ALA 2 1.845 -6.140 -23.688
9 HA ALA 2 HA ALA 2 1.856 -5.909 -20.811
10 HB1 ALA 2 1HB ALA 2 4.391 -5.608 -22.402
11 HB2 ALA 2 2HB ALA 2 4.170 -4.887 -20.807
12 HB3 ALA 2 3HB ALA 2 4.094 -6.639 -21.001
13 H ARG 3 H ARG 3 0.429 -4.270 -20.759
14 HA ARG 3 HA ARG 3 1.184 -1.787 -22.141
15 HB3 ARG 3 2HB ARG 3 -1.185 -1.334 -22.609
16 HG3 ARG 3 2HG ARG 3 0.123 -3.730 -23.747
17 HD3 ARG 3 2HD ARG 3 -2.536 -3.038 -24.851
18 HE ARG 3 HE ARG 3 -0.733 -5.230 -25.065
19 HH11 ARG 3 1HH1 ARG 3 -4.102 -4.365 -25.199
20 HH12 ARG 3 2HH1 ARG 3 -4.533 -5.681 -26.239
21 HH21 ARG 3 1HH2 ARG 3 -1.288 -6.968 -26.434
22 HH22 ARG 3 2HH2 ARG 3 -2.932 -7.162 -26.940
23 H ALA 4 H ALA 4 -0.162 0.104 -21.222
24 HA ALA 4 HA ALA 4 0.473 0.435 -18.529
25 HB1 ALA 4 1HB ALA 4 -0.130 2.554 -18.883
26 HB2 ALA 4 2HB ALA 4 -0.423 2.066 -20.552
27 HB3 ALA 4 3HB ALA 4 -1.755 2.097 -19.395
28 H ASP 5 H ASP 5 -2.378 -0.869 -20.042
29 HA ASP 5 HA ASP 5 -4.010 -0.730 -17.676
30 HB3 ASP 5 2HB ASP 5 -5.042 -0.673 -19.894
31 H ASP 6 H ASP 6 -4.565 -2.388 -16.290
32 HA ASP 6 HA ASP 6 -2.671 -4.619 -16.226
33 HB3 ASP 6 2HB ASP 6 -2.965 -3.175 -14.205
34 H THR 7 H THR 7 -4.038 -6.475 -14.762
35 HA THR 7 HA THR 7 -5.379 -7.973 -16.646
36 HB THR 7 HB THR 7 -6.546 -8.847 -14.319
37 HG1 THR 7 1HG THR 7 -5.503 -7.395 -12.990
38 HG21 THR 7 3HG2 THR 7 -3.878 -9.466 -15.565
39 HG22 THR 7 1HG2 THR 7 -5.395 -10.346 -15.738
40 HG23 THR 7 2HG2 THR 7 -4.522 -10.387 -14.207
41 H ALA 8 H ALA 8 -7.302 -7.826 -17.585
42 HA ALA 8 HA ALA 8 -9.477 -7.300 -18.008
43 HB1 ALA 8 1HB ALA 8 -9.373 -7.609 -15.107
44 HB2 ALA 8 2HB ALA 8 -10.678 -6.561 -15.660
45 HB3 ALA 8 3HB ALA 8 -10.553 -8.210 -16.271
46 H LEU 9 H LEU 9 -9.238 -5.147 -15.224
47 HA LEU 9 HA LEU 9 -9.896 -2.890 -16.923
48 HB3 LEU 9 2HB LEU 9 -9.511 -1.914 -14.370
49 HG LEU 9 HG LEU 9 -11.552 -1.603 -15.862
50 HD11 LEU 9 1HD1 LEU 9 -12.373 -4.132 -14.443
51 HD12 LEU 9 2HD1 LEU 9 -12.136 -3.928 -16.178
52 HD13 LEU 9 3HD1 LEU 9 -13.452 -3.083 -15.362
53 HD21 LEU 9 3HD2 LEU 9 -13.063 -1.548 -13.704
54 HD22 LEU 9 1HD2 LEU 9 -11.717 -0.427 -13.908
55 HD23 LEU 9 2HD2 LEU 9 -11.525 -1.859 -12.897
56 HA PRO 10 HA PRO 10 -5.916 -1.067 -17.208
57 HB3 PRO 10 2HB PRO 10 -6.897 0.677 -18.336
58 HG3 PRO 10 2HG PRO 10 -8.983 1.490 -17.707
59 HD3 PRO 10 2HD PRO 10 -9.452 -0.763 -17.818
60 H ALA 11 H ALA 11 -4.315 0.332 -16.081
61 HA ALA 11 HA ALA 11 -4.733 0.278 -13.162
62 HB1 ALA 11 1HB ALA 11 -3.104 -1.309 -13.389
63 HB2 ALA 11 2HB ALA 11 -2.411 -0.553 -14.825
64 HB3 ALA 11 3HB ALA 11 -2.104 0.136 -13.231
65 H ALA 12 H ALA 12 -5.150 2.441 -15.211
66 HA ALA 12 HA ALA 12 -3.088 4.385 -14.638
67 HB1 ALA 12 1HB ALA 12 -3.814 4.913 -16.699
68 HB2 ALA 12 2HB ALA 12 -5.407 4.202 -16.434
69 HB3 ALA 12 3HB ALA 12 -5.050 5.820 -15.828
70 H THR 13 H THR 13 -5.614 3.215 -12.898
71 HA THR 13 HA THR 13 -7.027 5.355 -11.896
72 HB THR 13 HB THR 13 -7.624 3.125 -11.232
73 HG1 THR 13 1HG THR 13 -8.124 3.626 -9.179
74 HG21 THR 13 3HG2 THR 13 -4.987 2.597 -11.039
75 HG22 THR 13 1HG2 THR 13 -6.238 1.584 -10.319
76 HG23 THR 13 2HG2 THR 13 -5.391 2.775 -9.331
77 H GLY 14 H GLY 14 -3.851 4.159 -10.849
78 HA2 GLY 14 2HA GLY 14 -2.143 5.719 -10.178
79 HA3 GLY 14 3HA GLY 14 -3.408 6.773 -9.565
80 H ALA 15 H ALA 15 -4.572 6.077 -7.642
81 HA ALA 15 HA ALA 15 -2.853 5.268 -5.583
82 HB1 ALA 15 1HB ALA 15 -4.659 5.507 -4.142
83 HB2 ALA 15 2HB ALA 15 -5.063 6.593 -5.471
84 HB3 ALA 15 3HB ALA 15 -5.828 5.009 -5.365
85 H LEU 16 H LEU 16 -5.529 3.482 -7.122
86 HA LEU 16 HA LEU 16 -5.232 1.097 -5.716
87 HB3 LEU 16 2HB LEU 16 -5.999 0.488 -8.380
88 HG LEU 16 HG LEU 16 -8.325 0.374 -7.461
89 HD11 LEU 16 1HD1 LEU 16 -6.516 -1.453 -7.363
90 HD12 LEU 16 2HD1 LEU 16 -7.946 -1.629 -6.347
91 HD13 LEU 16 3HD1 LEU 16 -6.429 -1.067 -5.644
92 HD21 LEU 16 3HD2 LEU 16 -7.007 1.027 -4.831
93 HD22 LEU 16 1HD2 LEU 16 -8.716 0.714 -5.134
94 HD23 LEU 16 2HD2 LEU 16 -7.963 2.180 -5.765
95 H GLU 17 H GLU 17 -3.663 2.208 -8.682
96 HA GLU 17 HA GLU 17 -2.282 -0.233 -9.178
97 HB3 GLU 17 2HB GLU 17 -2.656 2.213 -10.517
98 HG3 GLU 17 2HG GLU 17 -0.433 2.853 -9.484
99 H LEU 18 H LEU 18 -1.555 2.688 -7.382
100 HA LEU 18 HA LEU 18 1.200 2.321 -7.034
101 HB3 LEU 18 2HB LEU 18 -0.453 3.476 -4.842
102 HG LEU 18 HG LEU 18 2.178 4.146 -6.075
103 HD11 LEU 18 1HD1 LEU 18 0.233 6.102 -5.778
104 HD12 LEU 18 2HD1 LEU 18 1.973 6.352 -5.912
105 HD13 LEU 18 3HD1 LEU 18 1.221 6.236 -4.322
106 HD21 LEU 18 3HD2 LEU 18 1.451 2.932 -3.762
107 HD22 LEU 18 1HD2 LEU 18 1.611 4.607 -3.231
108 HD23 LEU 18 2HD2 LEU 18 2.972 3.793 -4.004
109 H VAL 19 H VAL 19 -1.482 1.433 -4.859
110 HA VAL 19 HA VAL 19 0.132 0.074 -2.984
111 HB VAL 19 HB VAL 19 -2.809 0.062 -3.568
112 HG11 VAL 19 1HG1 VAL 19 -3.071 -1.391 -1.537
113 HG12 VAL 19 2HG1 VAL 19 -2.427 -2.209 -2.962
114 HG13 VAL 19 3HG1 VAL 19 -1.347 -1.740 -1.649
115 HG21 VAL 19 3HG2 VAL 19 -2.619 1.816 -2.196
116 HG22 VAL 19 1HG2 VAL 19 -2.374 0.634 -0.910
117 HG23 VAL 19 2HG2 VAL 19 -0.983 1.365 -1.711
118 H ARG 20 H ARG 20 -1.951 -1.161 -5.599
119 HA ARG 20 HA ARG 20 -1.442 -3.870 -5.263
120 HB3 ARG 20 2HB ARG 20 -1.801 -3.817 -7.899
121 HG3 ARG 20 2HG ARG 20 -3.802 -3.292 -5.746
122 HD3 ARG 20 2HD ARG 20 -4.530 -2.141 -7.863
123 HE ARG 20 HE ARG 20 -3.690 -4.312 -9.217
124 HH11 ARG 20 1HH1 ARG 20 -6.838 -2.912 -8.720
125 HH12 ARG 20 2HH1 ARG 20 -7.462 -3.452 -10.243
126 HH21 ARG 20 1HH2 ARG 20 -4.499 -5.029 -11.225
127 HH22 ARG 20 2HH2 ARG 20 -6.132 -4.657 -11.667
128 H HIS 21 H HIS 21 0.401 -1.422 -7.003
129 HA HIS 21 HA HIS 21 2.223 -3.184 -8.253
130 HB3 HIS 21 2HB HIS 21 2.670 -0.301 -7.453
131 HD1 HIS 21 1HD HIS 21 4.026 -3.197 -9.387
132 HD2 HIS 21 2HD HIS 21 4.787 0.855 -8.873
133 HE1 HIS 21 1HE HIS 21 6.273 -2.795 -10.444
134 H LEU 22 H LEU 22 2.705 -1.072 -5.415
135 HA LEU 22 HA LEU 22 5.191 -2.079 -4.667
136 HB3 LEU 22 2HB LEU 22 4.725 -1.140 -2.454
137 HG LEU 22 HG LEU 22 3.669 0.662 -4.633
138 HD11 LEU 22 1HD1 LEU 22 4.187 2.489 -3.112
139 HD12 LEU 22 2HD1 LEU 22 4.655 1.335 -1.864
140 HD13 LEU 22 3HD1 LEU 22 2.980 1.412 -2.412
141 HD21 LEU 22 3HD2 LEU 22 6.337 1.101 -3.507
142 HD22 LEU 22 1HD2 LEU 22 5.788 1.142 -5.183
143 HD23 LEU 22 2HD2 LEU 22 6.167 -0.401 -4.417
144 H VAL 23 H VAL 23 1.949 -3.216 -3.916
145 HA VAL 23 HA VAL 23 2.752 -5.136 -1.970
146 HB VAL 23 HB VAL 23 0.244 -4.477 -3.398
147 HG11 VAL 23 1HG1 VAL 23 -0.762 -6.626 -2.412
148 HG12 VAL 23 2HG1 VAL 23 0.133 -6.747 -3.927
149 HG13 VAL 23 3HG1 VAL 23 0.893 -7.233 -2.411
150 HG21 VAL 23 3HG2 VAL 23 1.244 -4.064 -0.887
151 HG22 VAL 23 1HG2 VAL 23 -0.457 -3.949 -1.337
152 HG23 VAL 23 2HG2 VAL 23 0.171 -5.441 -0.637
153 H ALA 24 H ALA 24 1.852 -5.381 -5.404
154 HA ALA 24 HA ALA 24 2.206 -8.149 -5.659
155 HB1 ALA 24 1HB ALA 24 2.635 -7.492 -8.137
156 HB2 ALA 24 2HB ALA 24 1.051 -7.200 -7.418
157 HB3 ALA 24 3HB ALA 24 2.197 -5.873 -7.592
158 H GLU 25 H GLU 25 4.462 -5.470 -6.262
159 HA GLU 25 HA GLU 25 6.615 -7.067 -7.131
160 HB3 GLU 25 2HB GLU 25 8.011 -5.087 -6.661
161 HG3 GLU 25 2HG GLU 25 6.083 -3.416 -7.730
162 H ARG 26 H ARG 26 5.381 -6.323 -3.985
163 HA ARG 26 HA ARG 26 7.768 -7.050 -2.559
164 HB3 ARG 26 2HB ARG 26 5.991 -7.140 -0.619
165 HG3 ARG 26 2HG ARG 26 5.831 -4.477 -0.908
166 HD3 ARG 26 2HD ARG 26 7.135 -6.022 0.739
167 HE ARG 26 HE ARG 26 9.123 -6.677 -0.188
168 HH11 ARG 26 1HH1 ARG 26 8.593 -3.307 -0.883
169 HH12 ARG 26 2HH1 ARG 26 10.173 -3.062 -1.551
170 HH21 ARG 26 1HH2 ARG 26 11.205 -6.367 -1.065
171 HH22 ARG 26 2HH2 ARG 26 11.657 -4.804 -1.656
172 H ALA 27 H ALA 27 4.925 -8.676 -3.729
173 HA ALA 27 HA ALA 27 5.440 -11.065 -2.158
174 HB1 ALA 27 1HB ALA 27 3.466 -11.960 -3.454
175 HB2 ALA 27 2HB ALA 27 3.145 -10.563 -2.424
176 HB3 ALA 27 3HB ALA 27 3.318 -10.353 -4.167
177 H GLU 28 H GLU 28 7.031 -9.840 -4.613
178 HA GLU 28 HA GLU 28 8.415 -10.674 -6.214
179 HB3 GLU 28 2HB GLU 28 7.739 -13.462 -5.318
180 HG3 GLU 28 2HG GLU 28 9.442 -12.837 -7.187
181 H LEU 29 H LEU 29 5.873 -10.049 -7.023
182 HA LEU 29 HA LEU 29 5.553 -11.856 -9.281
183 HB3 LEU 29 2HB LEU 29 3.934 -12.880 -8.010
184 HG LEU 29 HG LEU 29 3.968 -10.751 -6.285
185 HD11 LEU 29 1HD1 LEU 29 2.399 -9.482 -7.621
186 HD12 LEU 29 2HD1 LEU 29 1.635 -9.997 -6.117
187 HD13 LEU 29 3HD1 LEU 29 1.269 -10.836 -7.624
188 HD21 LEU 29 3HD2 LEU 29 2.203 -13.168 -6.514
189 HD22 LEU 29 1HD2 LEU 29 2.094 -12.067 -5.141
190 HD23 LEU 29 2HD2 LEU 29 3.606 -12.914 -5.473
191 HA PRO 30 HA PRO 30 4.758 -8.182 -11.545
192 HB3 PRO 30 2HB PRO 30 4.647 -9.486 -13.434
193 HG3 PRO 30 2HG PRO 30 3.650 -11.586 -13.386
194 HD3 PRO 30 2HD PRO 30 5.055 -11.772 -11.567
195 H VAL 31 H VAL 31 3.445 -6.415 -11.544
196 HA VAL 31 HA VAL 31 1.246 -6.350 -9.750
197 HB VAL 31 HB VAL 31 2.680 -4.392 -10.134
198 HG11 VAL 31 1HG1 VAL 31 2.790 -4.881 -12.663
199 HG12 VAL 31 2HG1 VAL 31 1.299 -3.941 -12.754
200 HG13 VAL 31 3HG1 VAL 31 2.773 -3.200 -12.129
201 HG21 VAL 31 3HG2 VAL 31 1.017 -2.860 -9.775
202 HG22 VAL 31 1HG2 VAL 31 -0.006 -3.506 -11.059
203 HG23 VAL 31 2HG2 VAL 31 0.116 -4.354 -9.517
204 H GLU 32 H GLU 32 1.483 -7.311 -12.969
205 HA GLU 32 HA GLU 32 -1.159 -6.489 -13.787
206 HB3 GLU 32 2HB GLU 32 0.829 -6.798 -15.337
207 HG3 GLU 32 2HG GLU 32 0.816 -9.404 -14.307
208 H VAL 33 H VAL 33 0.241 -9.144 -12.127
209 HA VAL 33 HA VAL 33 -2.122 -10.823 -12.589
210 HB VAL 33 HB VAL 33 0.325 -11.686 -12.755
211 HG11 VAL 33 1HG1 VAL 33 0.109 -12.370 -9.893
212 HG12 VAL 33 2HG1 VAL 33 1.535 -12.043 -10.880
213 HG13 VAL 33 3HG1 VAL 33 0.562 -10.707 -10.264
214 HG21 VAL 33 3HG2 VAL 33 -1.116 -13.544 -11.014
215 HG22 VAL 33 1HG2 VAL 33 -2.090 -12.892 -12.332
216 HG23 VAL 33 2HG2 VAL 33 -0.581 -13.736 -12.684
217 H LEU 34 H LEU 34 -1.113 -8.502 -10.484
218 HA LEU 34 HA LEU 34 -1.807 -9.628 -7.973
219 HB3 LEU 34 2HB LEU 34 -2.057 -6.707 -8.540
220 HG LEU 34 HG LEU 34 -0.700 -6.499 -6.442
221 HD11 LEU 34 1HD1 LEU 34 -2.591 -6.367 -5.235
222 HD12 LEU 34 2HD1 LEU 34 -3.076 -8.019 -5.613
223 HD13 LEU 34 3HD1 LEU 34 -3.368 -6.726 -6.777
224 HD21 LEU 34 3HD2 LEU 34 0.110 -8.269 -5.356
225 HD22 LEU 34 1HD2 LEU 34 -0.256 -9.199 -6.808
226 HD23 LEU 34 2HD2 LEU 34 -1.417 -9.144 -5.481
227 H ARG 35 H ARG 35 -3.758 -10.210 -7.314
228 HA ARG 35 HA ARG 35 -6.119 -9.152 -8.651
229 HB3 ARG 35 2HB ARG 35 -7.306 -10.969 -7.745
230 HG3 ARG 35 2HG ARG 35 -4.680 -12.354 -7.796
231 HD3 ARG 35 2HD ARG 35 -6.978 -13.457 -7.708
232 HE ARG 35 HE ARG 35 -8.370 -12.724 -9.365
233 HH11 ARG 35 1HH1 ARG 35 -5.198 -13.248 -10.701
234 HH12 ARG 35 2HH1 ARG 35 -5.702 -12.984 -12.338
235 HH21 ARG 35 1HH2 ARG 35 -9.045 -12.375 -11.516
236 HH22 ARG 35 2HH2 ARG 35 -7.890 -12.486 -12.800
237 H ASP 36 H ASP 36 -7.966 -8.399 -7.429
238 HA ASP 36 HA ASP 36 -7.200 -6.541 -5.387
239 HB3 ASP 36 2HB ASP 36 -9.430 -5.720 -5.510
240 H ASP 37 H ASP 37 -8.184 -9.778 -5.387
241 HA ASP 37 HA ASP 37 -9.236 -9.649 -2.659
242 HB3 ASP 37 2HB ASP 37 -9.860 -12.004 -3.000
243 H SER 38 H SER 38 -6.316 -10.019 -4.194
244 HA SER 38 HA SER 38 -5.091 -12.103 -2.759
245 HB3 SER 38 2HB SER 38 -3.141 -11.459 -3.790
246 HG SER 38 HG SER 38 -4.211 -9.711 -5.499
247 H ARG 39 H ARG 39 -5.081 -12.192 -0.606
248 HA ARG 39 HA ARG 39 -5.072 -9.867 1.055
249 HB3 ARG 39 2HB ARG 39 -5.211 -11.345 2.883
250 HG3 ARG 39 2HG ARG 39 -6.351 -13.306 1.004
251 HD3 ARG 39 2HD ARG 39 -6.709 -12.911 3.585
252 HE ARG 39 HE ARG 39 -7.804 -10.579 2.823
253 HH11 ARG 39 1HH1 ARG 39 -9.180 -13.504 4.116
254 HH12 ARG 39 2HH1 ARG 39 -10.490 -12.693 4.908
255 HH21 ARG 39 1HH2 ARG 39 -9.524 -9.499 3.863
256 HH22 ARG 39 2HH2 ARG 39 -10.685 -10.415 4.763
257 H PHE 40 H PHE 40 -3.447 -9.494 2.763
258 HA PHE 40 HA PHE 40 -0.793 -9.526 1.608
259 HB3 PHE 40 2HB PHE 40 -0.180 -8.031 3.401
260 HD1 PHE 40 1HD PHE 40 -0.644 -7.161 0.907
261 HD2 PHE 40 2HD PHE 40 -3.340 -6.855 4.187
262 HE1 PHE 40 1HE PHE 40 -1.773 -5.278 -0.202
263 HE2 PHE 40 2HE PHE 40 -4.474 -4.971 3.083
264 HZ PHE 40 HZ PHE 40 -3.692 -4.181 0.886
265 H LEU 41 H LEU 41 -2.106 -12.018 2.623
266 HA LEU 41 HA LEU 41 0.201 -13.062 3.997
267 HB3 LEU 41 2HB LEU 41 -1.547 -14.092 5.722
268 HG LEU 41 HG LEU 41 -0.377 -11.338 6.113
269 HD11 LEU 41 1HD1 LEU 41 -0.497 -12.208 8.564
270 HD12 LEU 41 2HD1 LEU 41 -1.780 -13.242 7.934
271 HD13 LEU 41 3HD1 LEU 41 -1.922 -11.488 7.814
272 HD21 LEU 41 3HD2 LEU 41 1.587 -12.293 6.630
273 HD22 LEU 41 1HD2 LEU 41 0.988 -13.639 5.661
274 HD23 LEU 41 2HD2 LEU 41 0.825 -13.676 7.418
275 H ASP 42 H ASP 42 -3.091 -13.586 2.838
276 HA ASP 42 HA ASP 42 -3.018 -16.395 2.740
277 HB3 ASP 42 2HB ASP 42 -4.869 -16.152 1.071
278 H ASP 43 H ASP 43 -2.565 -14.049 0.090
279 HA ASP 43 HA ASP 43 -1.151 -16.143 -1.413
280 HB3 ASP 43 2HB ASP 43 -1.561 -13.953 -3.108
281 H LEU 44 H LEU 44 -0.999 -12.616 -0.896
282 HA LEU 44 HA LEU 44 1.594 -12.255 -1.864
283 HB3 LEU 44 2HB LEU 44 1.565 -10.126 -0.793
284 HG LEU 44 HG LEU 44 -1.258 -10.838 -1.577
285 HD11 LEU 44 1HD1 LEU 44 -1.523 -8.353 -1.804
286 HD12 LEU 44 2HD1 LEU 44 -0.030 -8.180 -0.882
287 HD13 LEU 44 3HD1 LEU 44 -1.435 -8.952 -0.146
288 HD21 LEU 44 3HD2 LEU 44 0.878 -10.775 -3.175
289 HD22 LEU 44 1HD2 LEU 44 0.487 -9.054 -3.170
290 HD23 LEU 44 2HD2 LEU 44 -0.719 -10.231 -3.695
291 H HIS 45 H HIS 45 0.451 -13.447 1.188
292 HA HIS 45 HA HIS 45 1.506 -14.128 3.094
293 HB3 HIS 45 2HB HIS 45 3.870 -14.735 1.328
294 HD1 HIS 45 1HD HIS 45 3.871 -17.725 2.054
295 HD2 HIS 45 2HD HIS 45 3.430 -14.650 4.814
296 HE1 HIS 45 1HE HIS 45 4.592 -18.693 4.262
297 H MET 46 H MET 46 1.596 -11.825 3.739
298 HA MET 46 HA MET 46 4.392 -10.995 4.105
299 HB3 MET 46 2HB MET 46 4.009 -8.819 3.471
300 HG3 MET 46 2HG MET 46 2.265 -10.579 1.844
301 HE1 MET 46 3HE MET 46 3.489 -7.160 0.207
302 HE2 MET 46 1HE MET 46 3.094 -8.662 -0.629
303 HE3 MET 46 2HE MET 46 2.050 -7.252 -0.809
304 H SER 47 H SER 47 4.822 -11.139 6.201
305 HA SER 47 HA SER 47 2.930 -11.341 8.244
306 HB3 SER 47 2HB SER 47 4.797 -11.083 9.790
307 HG SER 47 HG SER 47 6.315 -12.551 8.657
308 H SER 48 H SER 48 2.587 -9.864 10.062
309 HA SER 48 HA SER 48 1.503 -7.451 9.352
310 HB3 SER 48 2HB SER 48 0.870 -8.138 11.471
311 HG SER 48 HG SER 48 2.368 -9.638 12.004
312 H ILE 49 H ILE 49 4.815 -8.111 10.371
313 HA ILE 49 HA ILE 49 5.607 -5.362 10.403
314 HB ILE 49 HB ILE 49 7.308 -7.857 10.291
315 HG13 ILE 49 2HG1 ILE 49 7.620 -7.398 12.727
316 HG21 ILE 49 1HG2 ILE 49 8.075 -5.030 11.008
317 HG22 ILE 49 2HG2 ILE 49 9.134 -6.440 11.036
318 HG23 ILE 49 3HG2 ILE 49 8.488 -5.854 9.504
319 HD11 ILE 49 3HD1 ILE 49 6.402 -4.972 12.217
320 HD12 ILE 49 1HD1 ILE 49 5.165 -5.910 13.053
321 HD13 ILE 49 2HD1 ILE 49 6.745 -5.669 13.799
322 H THR 50 H THR 50 5.789 -8.000 8.075
323 HA THR 50 HA THR 50 7.460 -6.719 6.198
324 HB THR 50 HB THR 50 5.356 -8.837 5.706
325 HG1 THR 50 1HG THR 50 6.825 -10.229 6.376
326 HG21 THR 50 3HG2 THR 50 6.266 -7.498 3.714
327 HG22 THR 50 1HG2 THR 50 6.359 -9.256 3.628
328 HG23 THR 50 2HG2 THR 50 7.795 -8.315 4.032
329 H VAL 51 H VAL 51 3.961 -6.747 6.643
330 HA VAL 51 HA VAL 51 3.263 -5.451 4.243
331 HB VAL 51 HB VAL 51 1.742 -5.161 6.825
332 HG11 VAL 51 1HG1 VAL 51 1.079 -4.996 3.911
333 HG12 VAL 51 2HG1 VAL 51 -0.169 -5.393 5.093
334 HG13 VAL 51 3HG1 VAL 51 0.702 -3.863 5.208
335 HG21 VAL 51 3HG2 VAL 51 0.851 -7.360 5.188
336 HG22 VAL 51 1HG2 VAL 51 2.525 -7.588 5.692
337 HG23 VAL 51 2HG2 VAL 51 1.266 -7.334 6.901
338 H GLY 52 H GLY 52 3.852 -4.164 7.509
339 HA2 GLY 52 2HA GLY 52 3.328 -1.473 6.945
340 HA3 GLY 52 3HA GLY 52 4.380 -2.051 8.228
341 H GLN 53 H GLN 53 6.133 -3.422 6.254
342 HA GLN 53 HA GLN 53 8.008 -1.354 5.895
343 HB3 GLN 53 2HB GLN 53 9.319 -2.989 4.655
344 HG3 GLN 53 2HG GLN 53 8.548 -5.060 6.335
345 HE21 GLN 53 1HE2 GLN 53 10.775 -4.525 5.018
346 HE22 GLN 53 2HE2 GLN 53 12.061 -4.088 6.086
347 H LEU 54 H LEU 54 5.878 -3.008 3.581
348 HA LEU 54 HA LEU 54 6.699 -1.281 1.418
349 HB3 LEU 54 2HB LEU 54 5.901 -3.762 1.343
350 HG LEU 54 HG LEU 54 3.530 -2.985 2.231
351 HD11 LEU 54 1HD1 LEU 54 3.507 -1.482 0.042
352 HD12 LEU 54 2HD1 LEU 54 2.042 -2.207 0.703
353 HD13 LEU 54 3HD1 LEU 54 2.866 -2.969 -0.657
354 HD21 LEU 54 3HD2 LEU 54 2.676 -4.867 0.499
355 HD22 LEU 54 1HD2 LEU 54 3.593 -5.222 1.964
356 HD23 LEU 54 2HD2 LEU 54 4.420 -5.123 0.408
357 H VAL 55 H VAL 55 4.041 -1.513 3.680
358 HA VAL 55 HA VAL 55 2.187 0.158 2.429
359 HB VAL 55 HB VAL 55 2.171 -1.230 4.741
360 HG11 VAL 55 1HG1 VAL 55 2.190 0.117 6.648
361 HG12 VAL 55 2HG1 VAL 55 3.587 0.673 5.724
362 HG13 VAL 55 3HG1 VAL 55 2.091 1.607 5.710
363 HG21 VAL 55 3HG2 VAL 55 -0.014 -0.191 5.182
364 HG22 VAL 55 1HG2 VAL 55 0.383 1.097 4.043
365 HG23 VAL 55 2HG2 VAL 55 0.210 -0.564 3.472
366 H ASN 56 H ASN 56 5.109 0.893 4.171
367 HA ASN 56 HA ASN 56 4.557 3.635 4.669
368 HB3 ASN 56 2HB ASN 56 7.359 3.264 4.433
369 HD21 ASN 56 1HD2 ASN 56 6.620 1.820 7.269
370 HD22 ASN 56 2HD2 ASN 56 6.439 3.213 8.273
371 H GLU 57 H GLU 57 6.179 1.900 2.053
372 HA GLU 57 HA GLU 57 7.164 4.130 0.665
373 HB3 GLU 57 2HB GLU 57 6.230 1.577 -0.638
374 HG3 GLU 57 2HG GLU 57 7.198 3.537 -1.988
375 H ALA 58 H ALA 58 4.025 2.552 0.634
376 HA ALA 58 HA ALA 58 2.968 3.850 -1.636
377 HB1 ALA 58 1HB ALA 58 1.865 2.316 0.642
378 HB2 ALA 58 2HB ALA 58 0.747 3.350 -0.248
379 HB3 ALA 58 3HB ALA 58 1.646 2.088 -1.093
380 H ALA 59 H ALA 59 2.625 4.583 1.834
381 HA ALA 59 HA ALA 59 1.040 6.847 1.624
382 HB1 ALA 59 1HB ALA 59 2.664 5.603 3.652
383 HB2 ALA 59 2HB ALA 59 2.770 7.361 3.752
384 HB3 ALA 59 3HB ALA 59 1.197 6.566 3.822
385 H ARG 60 H ARG 60 4.539 6.519 1.318
386 HA ARG 60 HA ARG 60 5.219 9.233 1.320
387 HB3 ARG 60 2HB ARG 60 6.528 6.925 -0.128
388 HG3 ARG 60 2HG ARG 60 8.540 8.627 0.525
389 HD3 ARG 60 2HD ARG 60 7.811 9.361 -2.070
390 HE ARG 60 HE ARG 60 9.910 8.038 -0.973
391 HH11 ARG 60 1HH1 ARG 60 7.878 7.477 -3.744
392 HH12 ARG 60 2HH1 ARG 60 9.116 6.676 -4.653
393 HH21 ARG 60 1HH2 ARG 60 11.549 6.985 -2.161
394 HH22 ARG 60 2HH2 ARG 60 11.204 6.397 -3.751
395 H ALA 61 H ALA 61 4.294 7.091 -1.348
396 HA ALA 61 HA ALA 61 4.630 9.036 -3.390
397 HB1 ALA 61 1HB ALA 61 3.144 7.430 -4.704
398 HB2 ALA 61 2HB ALA 61 4.679 6.804 -4.101
399 HB3 ALA 61 3HB ALA 61 3.177 6.412 -3.264
400 H MET 62 H MET 62 1.848 7.960 -1.484
401 HA MET 62 HA MET 62 -0.042 9.589 -2.863
402 HB3 MET 62 2HB MET 62 -1.576 8.995 -1.062
403 HG3 MET 62 2HG MET 62 -1.557 6.607 -1.179
404 HE1 MET 62 3HE MET 62 -3.292 8.210 -2.667
405 HE2 MET 62 1HE MET 62 -3.491 7.534 -4.284
406 HE3 MET 62 2HE MET 62 -3.460 6.467 -2.880
407 H GLY 63 H GLY 63 2.433 10.349 -0.758
408 HA2 GLY 63 2HA GLY 63 3.034 12.362 0.185
409 HA3 GLY 63 3HA GLY 63 1.603 13.071 -0.548
410 H LEU 64 H LEU 64 1.996 10.480 1.860
411 HA LEU 64 HA LEU 64 0.148 11.963 3.604
412 HB3 LEU 64 2HB LEU 64 -0.565 9.933 4.509
413 HG LEU 64 HG LEU 64 0.039 9.042 1.696
414 HD11 LEU 64 1HD1 LEU 64 -2.365 8.404 3.371
415 HD12 LEU 64 2HD1 LEU 64 -0.890 7.443 3.462
416 HD13 LEU 64 3HD1 LEU 64 -1.762 7.575 1.935
417 HD21 LEU 64 3HD2 LEU 64 -2.565 10.063 1.853
418 HD22 LEU 64 1HD2 LEU 64 -1.202 10.724 0.950
419 HD23 LEU 64 2HD2 LEU 64 -1.523 11.277 2.595
420 H SER 65 H SER 65 0.660 10.597 5.975
421 HA SER 65 HA SER 65 3.464 10.749 6.607
422 HB3 SER 65 2HB SER 65 1.543 12.866 7.580
423 HG SER 65 HG SER 65 3.897 13.237 8.663
424 H ALA 66 H ALA 66 0.577 11.355 8.587
425 HA ALA 66 HA ALA 66 1.357 9.311 10.455
426 HB1 ALA 66 1HB ALA 66 0.208 10.613 11.830
427 HB2 ALA 66 2HB ALA 66 -0.363 11.582 10.471
428 HB3 ALA 66 3HB ALA 66 -1.280 10.170 10.994
429 H VAL 67 H VAL 67 -0.429 9.364 7.589
430 HA VAL 67 HA VAL 67 -2.458 7.498 8.089
431 HB VAL 67 HB VAL 67 -0.942 7.974 5.517
432 HG11 VAL 67 1HG1 VAL 67 -3.342 6.342 6.191
433 HG12 VAL 67 2HG1 VAL 67 -3.276 7.160 4.629
434 HG13 VAL 67 3HG1 VAL 67 -2.024 6.000 5.071
435 HG21 VAL 67 3HG2 VAL 67 -1.904 10.026 6.091
436 HG22 VAL 67 1HG2 VAL 67 -3.087 9.290 5.008
437 HG23 VAL 67 2HG2 VAL 67 -3.353 9.266 6.751
438 H ALA 68 H ALA 68 0.924 7.102 7.944
439 HA ALA 68 HA ALA 68 1.434 4.655 6.903
440 HB1 ALA 68 1HB ALA 68 2.568 5.130 9.603
441 HB2 ALA 68 2HB ALA 68 3.366 4.650 8.106
442 HB3 ALA 68 3HB ALA 68 2.894 6.331 8.354
443 H MET 69 H MET 69 0.153 2.918 7.024
444 HA MET 69 HA MET 69 -0.940 1.114 7.874
445 HB3 MET 69 2HB MET 69 -0.179 0.163 9.861
446 HG3 MET 69 2HG MET 69 2.166 1.932 9.750
447 HE1 MET 69 3HE MET 69 0.781 -1.179 8.340
448 HE2 MET 69 1HE MET 69 2.043 -2.387 8.580
449 HE3 MET 69 2HE MET 69 0.799 -2.155 9.809
450 HA PRO 70 HA PRO 70 -4.256 3.906 9.443
451 HB3 PRO 70 2HB PRO 70 -5.020 4.234 7.300
452 HG3 PRO 70 2HG PRO 70 -4.576 2.691 5.619
453 HD3 PRO 70 2HD PRO 70 -2.452 2.975 6.468
454 H THR 71 H THR 71 -4.043 0.459 8.908
455 HA THR 71 HA THR 71 -5.184 -0.189 11.399
456 HB THR 71 HB THR 71 -7.285 0.480 10.251
457 HG1 THR 71 1HG THR 71 -8.213 -1.041 11.391
458 HG21 THR 71 3HG2 THR 71 -6.217 -0.777 8.057
459 HG22 THR 71 1HG2 THR 71 -7.902 -0.287 8.233
460 HG23 THR 71 2HG2 THR 71 -7.420 -1.940 8.615
461 H ASN 72 H ASN 72 -5.739 -2.636 11.470
462 HA ASN 72 HA ASN 72 -3.502 -4.108 10.867
463 HB3 ASN 72 2HB ASN 72 -6.116 -5.538 10.804
464 HD21 ASN 72 1HD2 ASN 72 -5.374 -7.529 10.617
465 HD22 ASN 72 2HD2 ASN 72 -4.108 -8.229 11.563
466 H PHE 73 H PHE 73 -2.825 -5.416 9.212
467 HA PHE 73 HA PHE 73 -4.411 -5.302 6.730
468 HB3 PHE 73 2HB PHE 73 -2.082 -5.523 5.614
469 HD1 PHE 73 2HD PHE 73 -4.135 -3.995 4.771
470 HD2 PHE 73 1HD PHE 73 -1.017 -2.761 7.393
471 HE1 PHE 73 2HE PHE 73 -4.532 -1.652 4.135
472 HE2 PHE 73 1HE PHE 73 -1.410 -0.416 6.761
473 HZ PHE 73 HZ PHE 73 -3.168 0.141 5.129
474 H ALA 74 H ALA 74 -2.754 -7.243 9.009
475 HA ALA 74 HA ALA 74 -2.051 -9.494 7.553
476 HB1 ALA 74 1HB ALA 74 -3.221 -9.536 10.328
477 HB2 ALA 74 2HB ALA 74 -2.116 -10.708 9.608
478 HB3 ALA 74 3HB ALA 74 -1.558 -9.074 9.965
479 H THR 75 H THR 75 -5.167 -8.245 8.228
480 HA THR 75 HA THR 75 -6.390 -10.724 7.201
481 HB THR 75 HB THR 75 -7.028 -10.429 9.530
482 HG1 THR 75 1HG THR 75 -8.618 -11.014 7.764
483 HG21 THR 75 3HG2 THR 75 -6.846 -7.757 9.088
484 HG22 THR 75 1HG2 THR 75 -7.657 -8.478 10.476
485 HG23 THR 75 2HG2 THR 75 -8.594 -7.980 9.068
486 H ALA 76 H ALA 76 -5.499 -7.880 6.167
487 HA ALA 76 HA ALA 76 -8.022 -7.193 4.824
488 HB1 ALA 76 1HB ALA 76 -7.201 -5.019 4.498
489 HB2 ALA 76 2HB ALA 76 -6.709 -5.447 6.137
490 HB3 ALA 76 3HB ALA 76 -5.537 -5.508 4.820
491 H THR 77 H THR 77 -7.518 -6.156 2.551
492 HA THR 77 HA THR 77 -5.696 -7.970 1.111
493 HB THR 77 HB THR 77 -7.336 -7.790 -0.820
494 HG1 THR 77 1HG THR 77 -9.287 -6.935 -0.455
495 HG21 THR 77 3HG2 THR 77 -7.188 -9.573 1.275
496 HG22 THR 77 1HG2 THR 77 -8.100 -9.810 -0.216
497 HG23 THR 77 2HG2 THR 77 -8.903 -9.168 1.217
498 H VAL 78 H VAL 78 -5.233 -7.123 -1.163
499 HA VAL 78 HA VAL 78 -3.866 -4.720 -1.029
500 HB VAL 78 HB VAL 78 -3.508 -4.868 -3.355
501 HG11 VAL 78 1HG1 VAL 78 -3.957 -7.747 -3.092
502 HG12 VAL 78 2HG1 VAL 78 -2.460 -6.850 -3.355
503 HG13 VAL 78 3HG1 VAL 78 -3.110 -7.024 -1.725
504 HG21 VAL 78 3HG2 VAL 78 -5.756 -4.882 -4.170
505 HG22 VAL 78 1HG2 VAL 78 -4.937 -6.301 -4.823
506 HG23 VAL 78 2HG2 VAL 78 -6.057 -6.473 -3.472
507 H ARG 79 H ARG 79 -7.178 -5.352 -2.044
508 HA ARG 79 HA ARG 79 -7.707 -2.778 -3.096
509 HB3 ARG 79 2HB ARG 79 -9.553 -4.899 -1.993
510 HG3 ARG 79 2HG ARG 79 -11.101 -3.564 -3.722
511 HD3 ARG 79 2HD ARG 79 -10.735 -3.015 -0.782
512 HE ARG 79 HE ARG 79 -12.352 -1.530 -2.415
513 HH11 ARG 79 1HH1 ARG 79 -12.850 -3.742 0.227
514 HH12 ARG 79 2HH1 ARG 79 -14.302 -2.970 0.771
515 HH21 ARG 79 1HH2 ARG 79 -14.264 -0.505 -1.709
516 HH22 ARG 79 2HH2 ARG 79 -15.105 -1.128 -0.331
517 H GLU 80 H GLU 80 -8.027 -4.187 0.121
518 HA GLU 80 HA GLU 80 -9.440 -2.050 1.304
519 HB3 GLU 80 2HB GLU 80 -8.466 -3.004 3.461
520 HG3 GLU 80 2HG GLU 80 -9.928 -4.812 1.558
521 H MET 81 H MET 81 -5.967 -2.815 1.220
522 HA MET 81 HA MET 81 -5.140 -0.548 2.686
523 HB3 MET 81 2HB MET 81 -3.619 -2.216 0.674
524 HG3 MET 81 2HG MET 81 -2.337 -0.724 2.913
525 HE1 MET 81 3HE MET 81 -0.874 -2.432 3.367
526 HE2 MET 81 1HE MET 81 -1.087 -3.719 2.179
527 HE3 MET 81 2HE MET 81 0.494 -2.968 2.391
528 H ALA 82 H ALA 82 -5.561 -1.141 -0.769
529 HA ALA 82 HA ALA 82 -4.460 1.331 -1.633
530 HB1 ALA 82 1HB ALA 82 -5.207 0.759 -3.786
531 HB2 ALA 82 2HB ALA 82 -4.809 -0.776 -3.013
532 HB3 ALA 82 3HB ALA 82 -6.493 -0.272 -3.156
533 H GLU 83 H GLU 83 -7.814 0.218 -1.193
534 HA GLU 83 HA GLU 83 -9.073 2.598 -1.949
535 HB3 GLU 83 2HB GLU 83 -10.911 1.684 -0.316
536 HG3 GLU 83 2HG GLU 83 -10.738 -0.469 -2.138
537 H ALA 84 H ALA 84 -7.747 1.556 1.137
538 HA ALA 84 HA ALA 84 -8.821 3.644 2.712
539 HB1 ALA 84 1HB ALA 84 -8.030 2.215 4.225
540 HB2 ALA 84 2HB ALA 84 -6.934 1.472 3.060
541 HB3 ALA 84 3HB ALA 84 -6.442 2.924 3.930
542 H LEU 85 H LEU 85 -5.735 3.284 1.002
543 HA LEU 85 HA LEU 85 -4.691 5.791 1.867
544 HB3 LEU 85 2HB LEU 85 -3.094 5.404 -0.087
545 HG LEU 85 HG LEU 85 -3.296 3.251 2.014
546 HD11 LEU 85 1HD1 LEU 85 -1.982 2.204 0.446
547 HD12 LEU 85 2HD1 LEU 85 -0.771 3.085 1.377
548 HD13 LEU 85 3HD1 LEU 85 -1.323 3.718 -0.174
549 HD21 LEU 85 3HD2 LEU 85 -2.710 5.904 2.304
550 HD22 LEU 85 1HD2 LEU 85 -1.111 5.191 2.088
551 HD23 LEU 85 2HD2 LEU 85 -2.164 4.616 3.380
552 H GLU 86 H GLU 86 -6.339 4.679 -1.062
553 HA GLU 86 HA GLU 86 -6.092 7.040 -2.554
554 HB3 GLU 86 2HB GLU 86 -7.070 4.600 -3.093
555 HG3 GLU 86 2HG GLU 86 -9.207 5.315 -1.801
556 H ALA 87 H ALA 87 -8.294 6.119 -0.007
557 HA ALA 87 HA ALA 87 -10.264 8.092 -0.416
558 HB1 ALA 87 1HB ALA 87 -10.653 7.716 2.109
559 HB2 ALA 87 2HB ALA 87 -10.916 6.371 0.998
560 HB3 ALA 87 3HB ALA 87 -9.432 6.454 1.946
561 H ARG 88 H ARG 88 -7.205 8.113 1.325
562 HA ARG 88 HA ARG 88 -7.530 10.517 2.726
563 HB3 ARG 88 2HB ARG 88 -5.238 10.425 3.165
564 HG3 ARG 88 2HG ARG 88 -4.631 8.175 3.593
565 HD3 ARG 88 2HD ARG 88 -6.483 7.378 4.777
566 HE ARG 88 HE ARG 88 -6.055 10.029 4.973
567 HH11 ARG 88 1HH1 ARG 88 -8.948 8.095 5.053
568 HH12 ARG 88 2HH1 ARG 88 -9.800 9.179 6.103
569 HH21 ARG 88 1HH2 ARG 88 -7.164 11.463 6.356
570 HH22 ARG 88 2HH2 ARG 88 -8.785 11.094 6.843
571 H GLU 89 H GLU 89 -5.737 9.990 -0.318
572 HA GLU 89 HA GLU 89 -5.375 12.726 -0.872
573 HB3 GLU 89 2HB GLU 89 -4.858 11.947 -3.192
574 HG3 GLU 89 2HG GLU 89 -3.490 9.953 -1.495
575 H ARG 90 H ARG 90 -7.958 10.483 -1.617
576 HA ARG 90 HA ARG 90 -9.275 11.981 -3.593
577 HB3 ARG 90 2HB ARG 90 -10.370 10.018 -1.573
578 HG3 ARG 90 2HG ARG 90 -11.928 9.898 -3.863
579 HD3 ARG 90 2HD ARG 90 -12.338 9.877 -1.211
580 HE ARG 90 HE ARG 90 -12.890 12.606 -1.951
581 HH11 ARG 90 1HH1 ARG 90 -13.689 9.984 0.195
582 HH12 ARG 90 2HH1 ARG 90 -14.313 11.019 1.437
583 HH21 ARG 90 1HH2 ARG 90 -13.709 13.978 -0.323
584 HH22 ARG 90 2HH2 ARG 90 -14.325 13.290 1.141
585 H GLU 91 H GLU 91 -9.076 12.367 -0.169
586 HA GLU 91 HA GLU 91 -11.307 14.268 -0.161
587 HB3 GLU 91 2HB GLU 91 -9.749 12.969 2.072
588 HG3 GLU 91 2HG GLU 91 -11.771 15.168 2.183
589 H ALA 92 H ALA 92 -7.842 14.043 0.254
590 HA ALA 92 HA ALA 92 -7.237 16.473 1.411
591 HB1 ALA 92 1HB ALA 92 -5.336 15.278 1.165
592 HB2 ALA 92 2HB ALA 92 -5.824 14.615 -0.395
593 HB3 ALA 92 3HB ALA 92 -5.181 16.254 -0.296
594 HA PRO 93 HA PRO 93 -8.202 19.679 -1.423
595 HB3 PRO 93 2HB PRO 93 -7.308 21.158 0.091
596 HG3 PRO 93 2HG PRO 93 -5.401 20.621 1.310
597 HD3 PRO 93 2HD PRO 93 -6.661 18.729 1.690
598 H HIS 94 H HIS 94 -5.506 17.685 -1.929
599 HA HIS 94 HA HIS 94 -4.326 17.096 -3.783
600 HB3 HIS 94 2HB HIS 94 -5.326 17.384 -5.933
601 HD1 HIS 94 1HD HIS 94 -8.612 18.251 -4.764
602 HD2 HIS 94 2HD HIS 94 -6.186 14.886 -4.552
603 HE1 HIS 94 1HE HIS 94 -10.156 16.343 -4.214
604 H LEU 95 H LEU 95 -2.371 18.019 -3.665
605 HA LEU 95 HA LEU 95 -2.088 20.858 -4.333
606 HB3 LEU 95 2HB LEU 95 0.323 19.441 -3.517
607 HG LEU 95 HG LEU 95 -0.057 21.966 -3.424
608 HD11 LEU 95 1HD1 LEU 95 -0.961 22.013 -0.735
609 HD12 LEU 95 2HD1 LEU 95 -2.139 21.120 -1.696
610 HD13 LEU 95 3HD1 LEU 95 -1.689 22.762 -2.156
611 HD21 LEU 95 3HD2 LEU 95 1.248 20.195 -1.470
612 HD22 LEU 95 1HD2 LEU 95 1.029 21.867 -0.953
613 HD23 LEU 95 2HD2 LEU 95 1.914 21.513 -2.437
614 H GLU 96 H GLU 96 0.300 21.189 -5.333
615 HA GLU 96 HA GLU 96 0.105 20.173 -7.985
616 HB3 GLU 96 2HB GLU 96 2.613 21.251 -7.856
617 HG3 GLU 96 2HG GLU 96 0.155 22.972 -7.982
618 H HIS 97 H HIS 97 1.117 18.510 -8.949
619 HA HIS 97 HA HIS 97 2.235 16.537 -9.162
620 HB3 HIS 97 2HB HIS 97 4.588 16.538 -8.343
621 HD1 HIS 97 1HD HIS 97 6.383 18.639 -9.227
622 HD2 HIS 97 2HD HIS 97 2.563 18.308 -10.829
623 HE1 HIS 97 1HE HIS 97 6.474 19.836 -11.437
624 H HIS 98 H HIS 98 0.703 15.332 -7.962
625 HA HIS 98 HA HIS 98 1.575 14.633 -5.236
626 HB3 HIS 98 2HB HIS 98 -0.633 15.686 -5.260
627 HD1 HIS 98 1HD HIS 98 -2.303 12.547 -6.106
628 HD2 HIS 98 2HD HIS 98 -1.507 16.162 -7.991
629 HE1 HIS 98 1HE HIS 98 -3.851 12.628 -8.085
630 H HIS 99 H HIS 99 0.609 13.446 -8.373
631 HA HIS 99 HA HIS 99 0.988 10.675 -7.485
632 HB3 HIS 99 2HB HIS 99 -1.093 11.280 -8.745
633 HD1 HIS 99 1HD HIS 99 -0.758 13.718 -9.876
634 HD2 HIS 99 2HD HIS 99 0.520 10.443 -12.090
635 HE1 HIS 99 1HE HIS 99 -0.540 14.547 -12.241
636 H HIS 100 H HIS 100 2.365 9.257 -8.643
637 HA HIS 100 HA HIS 100 4.685 10.611 -9.773
638 HB3 HIS 100 2HB HIS 100 5.465 8.056 -9.740
639 HD1 HIS 100 1HD HIS 100 4.737 10.855 -7.346
640 HD2 HIS 100 2HD HIS 100 7.499 7.795 -7.869
641 HE1 HIS 100 1HE HIS 100 6.580 11.325 -5.701
642 H HIS 101 H HIS 101 2.864 7.653 -10.597
643 HA HIS 101 HA HIS 101 3.407 8.229 -13.434
644 HB3 HIS 101 2HB HIS 101 2.500 5.526 -12.571
645 HD1 HIS 101 1HD HIS 101 5.485 7.028 -14.407
646 HD2 HIS 101 2HD HIS 101 2.392 4.312 -14.975
647 HE1 HIS 101 1HE HIS 101 5.837 6.080 -16.710
648 H HIS 102 H HIS 102 1.699 7.334 -14.942
649 HA HIS 102 HA HIS 102 -0.997 7.591 -13.799
650 HB3 HIS 102 2HB HIS 102 -0.462 9.745 -14.793
651 HD1 HIS 102 1HD HIS 102 -1.053 8.299 -18.158
652 HD2 HIS 102 2HD HIS 102 2.087 9.970 -16.012
653 HE1 HIS 102 1HE HIS 102 0.739 8.782 -19.855
Start of MODEL 7
1 H1 MET 1 H MET 1 -8.950 -7.451 -26.651
2 HA MET 1 HA MET 1 -6.737 -8.698 -25.711
3 HB3 MET 1 2HB MET 1 -5.788 -9.651 -27.933
4 HG3 MET 1 2HG MET 1 -7.273 -10.878 -25.846
5 HE1 MET 1 3HE MET 1 -6.235 -13.545 -27.246
6 HE2 MET 1 1HE MET 1 -7.745 -14.411 -26.958
7 HE3 MET 1 2HE MET 1 -7.191 -14.131 -28.609
8 H ALA 2 H ALA 2 -5.174 -7.217 -25.761
9 HA ALA 2 HA ALA 2 -4.639 -5.639 -28.109
10 HB1 ALA 2 1HB ALA 2 -5.474 -4.136 -25.642
11 HB2 ALA 2 2HB ALA 2 -5.144 -3.494 -27.251
12 HB3 ALA 2 3HB ALA 2 -6.576 -4.485 -26.974
13 H ARG 3 H ARG 3 -2.928 -3.871 -27.476
14 HA ARG 3 HA ARG 3 -0.975 -5.199 -25.720
15 HB3 ARG 3 2HB ARG 3 -0.043 -3.114 -27.595
16 HG3 ARG 3 2HG ARG 3 0.903 -5.850 -26.802
17 HD3 ARG 3 2HD ARG 3 1.229 -4.971 -29.316
18 HE ARG 3 HE ARG 3 3.115 -3.397 -27.812
19 HH11 ARG 3 1HH1 ARG 3 2.436 -4.949 -30.854
20 HH12 ARG 3 2HH1 ARG 3 3.499 -3.925 -31.761
21 HH21 ARG 3 1HH2 ARG 3 4.516 -2.042 -28.997
22 HH22 ARG 3 2HH2 ARG 3 4.682 -2.273 -30.704
23 H ALA 4 H ALA 4 -3.114 -3.259 -24.968
24 HA ALA 4 HA ALA 4 -1.633 -0.874 -24.216
25 HB1 ALA 4 1HB ALA 4 -4.493 -1.699 -24.130
26 HB2 ALA 4 2HB ALA 4 -3.944 -0.409 -23.060
27 HB3 ALA 4 3HB ALA 4 -3.757 -0.246 -24.806
28 H ASP 5 H ASP 5 -2.646 -3.880 -22.837
29 HA ASP 5 HA ASP 5 -2.200 -2.987 -20.106
30 HB3 ASP 5 2HB ASP 5 -4.010 -4.508 -20.329
31 H ASP 6 H ASP 6 0.088 -2.445 -20.972
32 HA ASP 6 HA ASP 6 1.968 -4.468 -21.454
33 HB3 ASP 6 2HB ASP 6 3.627 -2.812 -21.196
34 H THR 7 H THR 7 4.031 -4.192 -19.698
35 HA THR 7 HA THR 7 3.525 -6.056 -17.739
36 HB THR 7 HB THR 7 5.531 -4.375 -16.671
37 HG1 THR 7 1HG THR 7 6.530 -3.540 -18.354
38 HG21 THR 7 3HG2 THR 7 5.333 -6.934 -16.936
39 HG22 THR 7 1HG2 THR 7 6.932 -6.203 -17.059
40 HG23 THR 7 2HG2 THR 7 6.065 -6.679 -18.519
41 H ALA 8 H ALA 8 4.163 -2.638 -16.954
42 HA ALA 8 HA ALA 8 3.242 -2.679 -14.357
43 HB1 ALA 8 1HB ALA 8 4.166 -0.738 -16.130
44 HB2 ALA 8 2HB ALA 8 2.584 -0.163 -15.601
45 HB3 ALA 8 3HB ALA 8 3.830 -0.538 -14.411
46 H LEU 9 H LEU 9 1.281 -1.572 -13.478
47 HA LEU 9 HA LEU 9 -1.058 -2.843 -14.427
48 HB3 LEU 9 2HB LEU 9 -1.212 -0.459 -12.648
49 HG LEU 9 HG LEU 9 -3.264 -1.766 -12.959
50 HD11 LEU 9 1HD1 LEU 9 -1.434 -3.979 -12.471
51 HD12 LEU 9 2HD1 LEU 9 -3.006 -3.960 -13.267
52 HD13 LEU 9 3HD1 LEU 9 -2.909 -4.068 -11.509
53 HD21 LEU 9 3HD2 LEU 9 -1.918 -1.552 -10.318
54 HD22 LEU 9 1HD2 LEU 9 -3.441 -2.438 -10.410
55 HD23 LEU 9 2HD2 LEU 9 -3.370 -0.750 -10.919
56 HA PRO 10 HA PRO 10 -2.120 0.085 -17.600
57 HB3 PRO 10 2HB PRO 10 -2.945 -1.716 -18.764
58 HG3 PRO 10 2HG PRO 10 -3.833 -3.557 -17.654
59 HD3 PRO 10 2HD PRO 10 -1.833 -3.342 -16.529
60 H ALA 11 H ALA 11 -3.641 -0.406 -14.613
61 HA ALA 11 HA ALA 11 -5.925 1.258 -14.960
62 HB1 ALA 11 1HB ALA 11 -4.549 0.668 -12.350
63 HB2 ALA 11 2HB ALA 11 -6.247 1.060 -12.624
64 HB3 ALA 11 3HB ALA 11 -5.602 -0.488 -13.168
65 H ALA 12 H ALA 12 -5.976 3.392 -15.155
66 HA ALA 12 HA ALA 12 -3.612 4.974 -14.643
67 HB1 ALA 12 1HB ALA 12 -4.516 5.906 -16.474
68 HB2 ALA 12 2HB ALA 12 -6.138 5.325 -16.095
69 HB3 ALA 12 3HB ALA 12 -5.519 6.783 -15.320
70 H THR 13 H THR 13 -5.988 3.842 -12.699
71 HA THR 13 HA THR 13 -7.020 5.903 -11.225
72 HB THR 13 HB THR 13 -7.702 3.704 -10.658
73 HG1 THR 13 1HG THR 13 -7.599 5.126 -8.855
74 HG21 THR 13 3HG2 THR 13 -6.194 2.021 -9.716
75 HG22 THR 13 1HG2 THR 13 -4.837 3.133 -9.890
76 HG23 THR 13 2HG2 THR 13 -5.664 2.519 -11.322
77 H GLY 14 H GLY 14 -3.777 4.506 -10.987
78 HA2 GLY 14 2HA GLY 14 -1.839 5.603 -10.291
79 HA3 GLY 14 3HA GLY 14 -2.826 6.951 -9.745
80 H ALA 15 H ALA 15 -4.189 6.487 -7.774
81 HA ALA 15 HA ALA 15 -2.542 5.753 -5.635
82 HB1 ALA 15 1HB ALA 15 -4.191 6.562 -4.357
83 HB2 ALA 15 2HB ALA 15 -4.942 7.031 -5.882
84 HB3 ALA 15 3HB ALA 15 -5.407 5.521 -5.098
85 H LEU 16 H LEU 16 -5.354 4.010 -6.974
86 HA LEU 16 HA LEU 16 -5.112 1.726 -5.379
87 HB3 LEU 16 2HB LEU 16 -6.090 1.002 -7.960
88 HG LEU 16 HG LEU 16 -8.335 1.003 -6.868
89 HD11 LEU 16 1HD1 LEU 16 -7.498 -0.673 -5.005
90 HD12 LEU 16 2HD1 LEU 16 -5.970 -0.488 -5.866
91 HD13 LEU 16 3HD1 LEU 16 -7.399 -1.068 -6.721
92 HD21 LEU 16 3HD2 LEU 16 -6.823 1.737 -4.370
93 HD22 LEU 16 1HD2 LEU 16 -8.559 1.482 -4.548
94 HD23 LEU 16 2HD2 LEU 16 -7.792 2.882 -5.299
95 H GLU 17 H GLU 17 -3.644 2.547 -8.480
96 HA GLU 17 HA GLU 17 -2.480 -0.008 -8.931
97 HB3 GLU 17 2HB GLU 17 -2.730 2.390 -10.359
98 HG3 GLU 17 2HG GLU 17 -0.441 2.937 -9.402
99 H LEU 18 H LEU 18 -1.461 2.881 -7.241
100 HA LEU 18 HA LEU 18 1.276 2.310 -7.002
101 HB3 LEU 18 2HB LEU 18 -0.236 3.664 -4.810
102 HG LEU 18 HG LEU 18 2.433 4.124 -6.094
103 HD11 LEU 18 1HD1 LEU 18 0.646 6.185 -5.548
104 HD12 LEU 18 2HD1 LEU 18 2.388 6.321 -5.781
105 HD13 LEU 18 3HD1 LEU 18 1.728 6.140 -4.156
106 HD21 LEU 18 3HD2 LEU 18 1.498 3.003 -3.667
107 HD22 LEU 18 1HD2 LEU 18 2.332 4.508 -3.278
108 HD23 LEU 18 2HD2 LEU 18 3.164 3.250 -4.192
109 H VAL 19 H VAL 19 -1.383 1.683 -4.709
110 HA VAL 19 HA VAL 19 0.166 0.291 -2.821
111 HB VAL 19 HB VAL 19 -2.762 0.449 -3.396
112 HG11 VAL 19 1HG1 VAL 19 -3.091 -1.035 -1.362
113 HG12 VAL 19 2HG1 VAL 19 -2.628 -1.842 -2.860
114 HG13 VAL 19 3HG1 VAL 19 -1.426 -1.559 -1.602
115 HG21 VAL 19 3HG2 VAL 19 -2.588 2.055 -1.869
116 HG22 VAL 19 1HG2 VAL 19 -2.114 0.842 -0.680
117 HG23 VAL 19 2HG2 VAL 19 -0.882 1.677 -1.625
118 H ARG 20 H ARG 20 -2.011 -0.963 -5.353
119 HA ARG 20 HA ARG 20 -1.555 -3.671 -4.944
120 HB3 ARG 20 2HB ARG 20 -1.979 -3.659 -7.590
121 HG3 ARG 20 2HG ARG 20 -3.858 -3.250 -5.329
122 HD3 ARG 20 2HD ARG 20 -4.563 -1.944 -7.500
123 HE ARG 20 HE ARG 20 -4.740 -4.658 -8.416
124 HH11 ARG 20 1HH1 ARG 20 -6.114 -1.468 -8.658
125 HH12 ARG 20 2HH1 ARG 20 -6.771 -1.729 -10.240
126 HH21 ARG 20 1HH2 ARG 20 -5.600 -5.013 -10.499
127 HH22 ARG 20 2HH2 ARG 20 -6.478 -3.746 -11.286
128 H HIS 21 H HIS 21 0.273 -1.335 -6.854
129 HA HIS 21 HA HIS 21 2.012 -3.174 -8.098
130 HB3 HIS 21 2HB HIS 21 2.545 -0.280 -7.391
131 HD1 HIS 21 1HD HIS 21 3.793 -3.254 -9.292
132 HD2 HIS 21 2HD HIS 21 4.673 0.784 -8.854
133 HE1 HIS 21 1HE HIS 21 6.031 -2.930 -10.393
134 H LEU 22 H LEU 22 2.431 -1.172 -5.184
135 HA LEU 22 HA LEU 22 4.995 -2.024 -4.505
136 HB3 LEU 22 2HB LEU 22 4.311 -1.407 -2.154
137 HG LEU 22 HG LEU 22 3.523 0.723 -4.135
138 HD11 LEU 22 1HD1 LEU 22 4.050 2.269 -2.448
139 HD12 LEU 22 2HD1 LEU 22 4.840 1.044 -1.455
140 HD13 LEU 22 3HD1 LEU 22 3.087 1.025 -1.649
141 HD21 LEU 22 3HD2 LEU 22 6.136 1.184 -3.413
142 HD22 LEU 22 1HD2 LEU 22 5.589 0.517 -4.952
143 HD23 LEU 22 2HD2 LEU 22 6.090 -0.564 -3.651
144 H VAL 23 H VAL 23 1.843 -3.407 -3.695
145 HA VAL 23 HA VAL 23 2.814 -5.412 -1.948
146 HB VAL 23 HB VAL 23 0.265 -5.272 -3.559
147 HG11 VAL 23 1HG1 VAL 23 0.174 -6.995 -1.242
148 HG12 VAL 23 2HG1 VAL 23 -0.296 -7.327 -2.911
149 HG13 VAL 23 3HG1 VAL 23 1.381 -7.545 -2.405
150 HG21 VAL 23 3HG2 VAL 23 1.024 -3.757 -1.431
151 HG22 VAL 23 1HG2 VAL 23 -0.647 -4.136 -1.850
152 HG23 VAL 23 2HG2 VAL 23 0.195 -5.093 -0.631
153 H ALA 24 H ALA 24 1.897 -5.499 -5.385
154 HA ALA 24 HA ALA 24 2.410 -8.194 -5.864
155 HB1 ALA 24 1HB ALA 24 2.799 -7.430 -8.253
156 HB2 ALA 24 2HB ALA 24 1.251 -6.997 -7.527
157 HB3 ALA 24 3HB ALA 24 2.530 -5.790 -7.664
158 H GLU 25 H GLU 25 4.587 -5.401 -6.232
159 HA GLU 25 HA GLU 25 6.825 -6.888 -7.089
160 HB3 GLU 25 2HB GLU 25 8.130 -4.868 -6.451
161 HG3 GLU 25 2HG GLU 25 5.865 -3.512 -7.651
162 H ARG 26 H ARG 26 5.498 -6.225 -3.947
163 HA ARG 26 HA ARG 26 7.862 -6.987 -2.497
164 HB3 ARG 26 2HB ARG 26 6.128 -7.053 -0.560
165 HG3 ARG 26 2HG ARG 26 5.819 -4.401 -0.944
166 HD3 ARG 26 2HD ARG 26 7.173 -5.818 0.773
167 HE ARG 26 HE ARG 26 9.194 -6.431 -0.109
168 HH11 ARG 26 1HH1 ARG 26 8.534 -3.120 -0.960
169 HH12 ARG 26 2HH1 ARG 26 10.107 -2.842 -1.630
170 HH21 ARG 26 1HH2 ARG 26 11.269 -6.078 -0.989
171 HH22 ARG 26 2HH2 ARG 26 11.661 -4.526 -1.647
172 H ALA 27 H ALA 27 5.326 -8.640 -4.035
173 HA ALA 27 HA ALA 27 5.693 -11.041 -2.393
174 HB1 ALA 27 1HB ALA 27 3.796 -11.750 -4.180
175 HB2 ALA 27 2HB ALA 27 3.454 -10.985 -2.628
176 HB3 ALA 27 3HB ALA 27 3.527 -10.009 -4.096
177 H GLU 28 H GLU 28 7.357 -9.749 -4.751
178 HA GLU 28 HA GLU 28 8.803 -10.540 -6.320
179 HB3 GLU 28 2HB GLU 28 8.061 -13.362 -5.632
180 HG3 GLU 28 2HG GLU 28 9.974 -12.467 -7.261
181 H LEU 29 H LEU 29 6.126 -9.954 -7.049
182 HA LEU 29 HA LEU 29 5.974 -11.500 -9.509
183 HB3 LEU 29 2HB LEU 29 3.377 -11.495 -9.070
184 HG LEU 29 HG LEU 29 5.382 -13.524 -8.428
185 HD11 LEU 29 1HD1 LEU 29 3.793 -13.197 -6.342
186 HD12 LEU 29 2HD1 LEU 29 4.263 -14.798 -6.907
187 HD13 LEU 29 3HD1 LEU 29 2.688 -14.138 -7.342
188 HD21 LEU 29 3HD2 LEU 29 4.333 -13.694 -10.509
189 HD22 LEU 29 1HD2 LEU 29 2.735 -13.380 -9.833
190 HD23 LEU 29 2HD2 LEU 29 3.534 -14.922 -9.525
191 HA PRO 30 HA PRO 30 4.871 -7.667 -11.338
192 HB3 PRO 30 2HB PRO 30 4.880 -8.743 -13.368
193 HG3 PRO 30 2HG PRO 30 4.067 -10.912 -13.578
194 HD3 PRO 30 2HD PRO 30 5.477 -11.190 -11.777
195 H VAL 31 H VAL 31 3.217 -6.094 -11.572
196 HA VAL 31 HA VAL 31 1.132 -6.308 -9.621
197 HB VAL 31 HB VAL 31 2.310 -4.179 -10.066
198 HG11 VAL 31 1HG1 VAL 31 1.939 -4.767 -12.706
199 HG12 VAL 31 2HG1 VAL 31 0.721 -3.520 -12.432
200 HG13 VAL 31 3HG1 VAL 31 2.417 -3.192 -12.075
201 HG21 VAL 31 3HG2 VAL 31 0.527 -3.011 -9.365
202 HG22 VAL 31 1HG2 VAL 31 -0.428 -3.431 -10.787
203 HG23 VAL 31 2HG2 VAL 31 -0.316 -4.559 -9.435
204 H GLU 32 H GLU 32 1.362 -7.395 -12.743
205 HA GLU 32 HA GLU 32 -1.344 -6.822 -13.574
206 HB3 GLU 32 2HB GLU 32 0.362 -6.957 -15.279
207 HG3 GLU 32 2HG GLU 32 1.354 -9.138 -13.827
208 H VAL 33 H VAL 33 0.346 -9.336 -11.903
209 HA VAL 33 HA VAL 33 -1.849 -11.231 -12.219
210 HB VAL 33 HB VAL 33 -0.460 -12.818 -11.025
211 HG11 VAL 33 1HG1 VAL 33 0.070 -12.905 -13.269
212 HG12 VAL 33 2HG1 VAL 33 0.763 -11.282 -13.278
213 HG13 VAL 33 3HG1 VAL 33 1.650 -12.617 -12.541
214 HG21 VAL 33 3HG2 VAL 33 0.724 -10.507 -9.931
215 HG22 VAL 33 1HG2 VAL 33 1.086 -12.193 -9.560
216 HG23 VAL 33 2HG2 VAL 33 1.991 -11.354 -10.820
217 H LEU 34 H LEU 34 -1.049 -8.698 -10.199
218 HA LEU 34 HA LEU 34 -1.873 -9.732 -7.684
219 HB3 LEU 34 2HB LEU 34 -2.319 -6.884 -8.028
220 HG LEU 34 HG LEU 34 -0.431 -6.686 -6.377
221 HD11 LEU 34 1HD1 LEU 34 -1.789 -7.897 -4.547
222 HD12 LEU 34 2HD1 LEU 34 -2.930 -8.244 -5.846
223 HD13 LEU 34 3HD1 LEU 34 -2.545 -6.573 -5.434
224 HD21 LEU 34 3HD2 LEU 34 0.523 -8.579 -5.386
225 HD22 LEU 34 1HD2 LEU 34 0.550 -8.932 -7.114
226 HD23 LEU 34 2HD2 LEU 34 -0.681 -9.663 -6.084
227 H ARG 35 H ARG 35 -3.847 -10.089 -6.911
228 HA ARG 35 HA ARG 35 -6.142 -9.145 -8.481
229 HB3 ARG 35 2HB ARG 35 -6.855 -11.026 -6.427
230 HG3 ARG 35 2HG ARG 35 -8.037 -10.618 -8.603
231 HD3 ARG 35 2HD ARG 35 -5.670 -10.995 -9.794
232 HE ARG 35 HE ARG 35 -5.235 -13.225 -9.946
233 HH11 ARG 35 1HH1 ARG 35 -8.679 -12.758 -10.152
234 HH12 ARG 35 2HH1 ARG 35 -9.019 -14.429 -10.452
235 HH21 ARG 35 1HH2 ARG 35 -5.670 -15.428 -10.341
236 HH22 ARG 35 2HH2 ARG 35 -7.307 -15.948 -10.557
237 H ASP 36 H ASP 36 -8.029 -8.365 -7.376
238 HA ASP 36 HA ASP 36 -7.387 -6.556 -5.261
239 HB3 ASP 36 2HB ASP 36 -9.709 -5.852 -5.411
240 H ASP 37 H ASP 37 -8.349 -9.800 -5.348
241 HA ASP 37 HA ASP 37 -9.490 -9.701 -2.649
242 HB3 ASP 37 2HB ASP 37 -10.175 -12.027 -3.058
243 H SER 38 H SER 38 -6.550 -10.114 -4.131
244 HA SER 38 HA SER 38 -5.429 -12.262 -2.682
245 HB3 SER 38 2HB SER 38 -3.471 -11.742 -3.744
246 HG SER 38 HG SER 38 -4.377 -11.517 -5.621
247 H ARG 39 H ARG 39 -5.275 -12.359 -0.546
248 HA ARG 39 HA ARG 39 -5.231 -10.003 1.095
249 HB3 ARG 39 2HB ARG 39 -5.424 -11.449 2.937
250 HG3 ARG 39 2HG ARG 39 -6.598 -13.419 1.089
251 HD3 ARG 39 2HD ARG 39 -6.965 -13.017 3.647
252 HE ARG 39 HE ARG 39 -7.915 -10.614 2.915
253 HH11 ARG 39 1HH1 ARG 39 -9.476 -13.463 4.166
254 HH12 ARG 39 2HH1 ARG 39 -10.735 -12.582 4.965
255 HH21 ARG 39 1HH2 ARG 39 -9.568 -9.442 3.963
256 HH22 ARG 39 2HH2 ARG 39 -10.787 -10.294 4.848
257 H PHE 40 H PHE 40 -3.579 -9.541 2.691
258 HA PHE 40 HA PHE 40 -0.945 -9.698 1.547
259 HB3 PHE 40 2HB PHE 40 -0.270 -8.222 3.330
260 HD1 PHE 40 1HD PHE 40 -0.566 -7.108 1.029
261 HD2 PHE 40 2HD PHE 40 -3.596 -7.210 4.017
262 HE1 PHE 40 1HE PHE 40 -1.685 -5.197 -0.043
263 HE2 PHE 40 2HE PHE 40 -4.720 -5.299 2.949
264 HZ PHE 40 HZ PHE 40 -3.764 -4.290 0.916
265 H LEU 41 H LEU 41 -2.342 -12.147 2.620
266 HA LEU 41 HA LEU 41 -0.028 -13.288 3.894
267 HB3 LEU 41 2HB LEU 41 -1.698 -14.203 5.739
268 HG LEU 41 HG LEU 41 -0.436 -11.474 5.988
269 HD11 LEU 41 1HD1 LEU 41 -0.458 -12.334 8.475
270 HD12 LEU 41 2HD1 LEU 41 -1.863 -13.237 7.910
271 HD13 LEU 41 3HD1 LEU 41 -1.839 -11.478 7.789
272 HD21 LEU 41 3HD2 LEU 41 1.510 -12.485 6.590
273 HD22 LEU 41 1HD2 LEU 41 0.900 -13.716 5.483
274 HD23 LEU 41 2HD2 LEU 41 0.701 -13.918 7.224
275 H ASP 42 H ASP 42 -3.410 -13.661 2.948
276 HA ASP 42 HA ASP 42 -3.551 -16.446 2.912
277 HB3 ASP 42 2HB ASP 42 -4.935 -14.674 0.902
278 H ASP 43 H ASP 43 -2.790 -14.235 0.220
279 HA ASP 43 HA ASP 43 -1.486 -16.501 -1.141
280 HB3 ASP 43 2HB ASP 43 -1.920 -14.614 -3.104
281 H LEU 44 H LEU 44 -1.377 -12.957 -0.808
282 HA LEU 44 HA LEU 44 1.159 -12.590 -1.934
283 HB3 LEU 44 2HB LEU 44 1.135 -10.417 -0.962
284 HG LEU 44 HG LEU 44 -1.669 -11.270 -1.641
285 HD11 LEU 44 1HD1 LEU 44 -2.452 -9.424 -0.696
286 HD12 LEU 44 2HD1 LEU 44 -1.488 -8.490 -1.839
287 HD13 LEU 44 3HD1 LEU 44 -0.828 -8.895 -0.255
288 HD21 LEU 44 3HD2 LEU 44 0.565 -10.762 -3.192
289 HD22 LEU 44 1HD2 LEU 44 -0.362 -9.263 -3.276
290 HD23 LEU 44 2HD2 LEU 44 -1.111 -10.791 -3.743
291 H HIS 45 H HIS 45 0.192 -13.736 1.182
292 HA HIS 45 HA HIS 45 1.344 -14.298 3.074
293 HB3 HIS 45 2HB HIS 45 3.453 -14.980 1.014
294 HD1 HIS 45 1HD HIS 45 4.974 -17.027 1.822
295 HD2 HIS 45 2HD HIS 45 2.916 -14.996 4.805
296 HE1 HIS 45 1HE HIS 45 6.090 -17.687 3.977
297 H MET 46 H MET 46 1.483 -12.115 3.843
298 HA MET 46 HA MET 46 4.256 -11.171 3.955
299 HB3 MET 46 2HB MET 46 3.702 -8.925 3.490
300 HG3 MET 46 2HG MET 46 2.457 -10.858 1.628
301 HE1 MET 46 3HE MET 46 3.324 -7.276 0.165
302 HE2 MET 46 1HE MET 46 1.970 -6.358 0.825
303 HE3 MET 46 2HE MET 46 3.149 -7.093 1.911
304 H SER 47 H SER 47 4.839 -11.151 6.015
305 HA SER 47 HA SER 47 3.068 -11.395 8.176
306 HB3 SER 47 2HB SER 47 4.982 -11.175 9.592
307 HG SER 47 HG SER 47 6.424 -12.572 8.582
308 H SER 48 H SER 48 2.644 -9.905 9.908
309 HA SER 48 HA SER 48 1.551 -7.504 9.161
310 HB3 SER 48 2HB SER 48 2.229 -6.988 11.764
311 HG SER 48 HG SER 48 0.109 -7.101 11.054
312 H ILE 49 H ILE 49 4.847 -8.153 10.208
313 HA ILE 49 HA ILE 49 5.630 -5.405 10.317
314 HB ILE 49 HB ILE 49 7.282 -7.928 10.178
315 HG13 ILE 49 2HG1 ILE 49 7.693 -7.439 12.573
316 HG21 ILE 49 1HG2 ILE 49 8.766 -5.797 11.273
317 HG22 ILE 49 2HG2 ILE 49 9.061 -6.671 9.770
318 HG23 ILE 49 3HG2 ILE 49 8.065 -5.215 9.762
319 HD11 ILE 49 3HD1 ILE 49 5.399 -5.549 12.604
320 HD12 ILE 49 1HD1 ILE 49 6.700 -5.768 13.774
321 HD13 ILE 49 2HD1 ILE 49 7.014 -4.937 12.250
322 H THR 50 H THR 50 5.923 -7.991 7.923
323 HA THR 50 HA THR 50 7.544 -6.627 6.081
324 HB THR 50 HB THR 50 5.465 -8.756 5.541
325 HG1 THR 50 1HG THR 50 6.929 -10.093 6.275
326 HG21 THR 50 3HG2 THR 50 6.296 -7.345 3.572
327 HG22 THR 50 1HG2 THR 50 6.449 -9.096 3.434
328 HG23 THR 50 2HG2 THR 50 7.858 -8.116 3.838
329 H VAL 51 H VAL 51 4.069 -6.617 6.599
330 HA VAL 51 HA VAL 51 3.342 -5.287 4.214
331 HB VAL 51 HB VAL 51 1.839 -5.032 6.808
332 HG11 VAL 51 1HG1 VAL 51 1.175 -4.844 3.901
333 HG12 VAL 51 2HG1 VAL 51 -0.073 -5.296 5.064
334 HG13 VAL 51 3HG1 VAL 51 0.760 -3.748 5.219
335 HG21 VAL 51 3HG2 VAL 51 0.913 -7.228 5.218
336 HG22 VAL 51 1HG2 VAL 51 2.616 -7.455 5.612
337 HG23 VAL 51 2HG2 VAL 51 1.437 -7.216 6.901
338 H GLY 52 H GLY 52 3.866 -4.059 7.521
339 HA2 GLY 52 2HA GLY 52 3.383 -1.362 7.001
340 HA3 GLY 52 3HA GLY 52 4.420 -1.968 8.283
341 H GLN 53 H GLN 53 6.189 -3.305 6.302
342 HA GLN 53 HA GLN 53 8.080 -1.246 6.007
343 HB3 GLN 53 2HB GLN 53 9.382 -2.856 4.723
344 HG3 GLN 53 2HG GLN 53 8.624 -4.975 6.322
345 HE21 GLN 53 1HE2 GLN 53 10.813 -5.223 5.691
346 HE22 GLN 53 2HE2 GLN 53 12.081 -4.451 6.573
347 H LEU 54 H LEU 54 5.936 -2.798 3.638
348 HA LEU 54 HA LEU 54 6.791 -1.018 1.530
349 HB3 LEU 54 2HB LEU 54 5.939 -3.494 1.403
350 HG LEU 54 HG LEU 54 3.559 -2.624 2.216
351 HD11 LEU 54 1HD1 LEU 54 3.752 -1.263 -0.148
352 HD12 LEU 54 2HD1 LEU 54 2.250 -1.653 0.688
353 HD13 LEU 54 3HD1 LEU 54 2.832 -2.694 -0.611
354 HD21 LEU 54 3HD2 LEU 54 2.712 -4.506 0.488
355 HD22 LEU 54 1HD2 LEU 54 3.575 -4.867 1.983
356 HD23 LEU 54 2HD2 LEU 54 4.449 -4.812 0.451
357 H VAL 55 H VAL 55 4.128 -1.282 3.779
358 HA VAL 55 HA VAL 55 2.272 0.414 2.589
359 HB VAL 55 HB VAL 55 2.866 -0.219 5.463
360 HG11 VAL 55 1HG1 VAL 55 1.175 1.953 4.390
361 HG12 VAL 55 2HG1 VAL 55 0.473 0.965 5.672
362 HG13 VAL 55 3HG1 VAL 55 1.995 1.815 5.944
363 HG21 VAL 55 3HG2 VAL 55 0.714 -1.354 5.347
364 HG22 VAL 55 1HG2 VAL 55 0.494 -0.792 3.689
365 HG23 VAL 55 2HG2 VAL 55 1.788 -1.928 4.072
366 H ASN 56 H ASN 56 5.170 1.151 4.421
367 HA ASN 56 HA ASN 56 4.644 3.904 4.827
368 HB3 ASN 56 2HB ASN 56 7.348 3.806 4.857
369 HD21 ASN 56 1HD2 ASN 56 6.622 1.452 7.087
370 HD22 ASN 56 2HD2 ASN 56 6.215 2.465 8.425
371 H GLU 57 H GLU 57 6.110 2.081 2.212
372 HA GLU 57 HA GLU 57 7.162 4.335 0.823
373 HB3 GLU 57 2HB GLU 57 6.524 1.527 -0.084
374 HG3 GLU 57 2HG GLU 57 6.536 3.071 -2.010
375 H ALA 58 H ALA 58 4.099 2.632 0.795
376 HA ALA 58 HA ALA 58 3.048 3.735 -1.576
377 HB1 ALA 58 1HB ALA 58 2.091 2.113 0.615
378 HB2 ALA 58 2HB ALA 58 0.876 3.283 0.098
379 HB3 ALA 58 3HB ALA 58 1.568 2.156 -1.069
380 H ALA 59 H ALA 59 2.612 4.697 1.827
381 HA ALA 59 HA ALA 59 1.001 6.941 1.322
382 HB1 ALA 59 1HB ALA 59 2.329 5.757 3.591
383 HB2 ALA 59 2HB ALA 59 2.442 7.517 3.638
384 HB3 ALA 59 3HB ALA 59 0.864 6.739 3.531
385 H ARG 60 H ARG 60 4.495 6.536 1.417
386 HA ARG 60 HA ARG 60 5.244 9.231 1.452
387 HB3 ARG 60 2HB ARG 60 6.847 7.282 -0.136
388 HG3 ARG 60 2HG ARG 60 8.545 8.190 1.668
389 HD3 ARG 60 2HD ARG 60 7.990 8.750 -0.985
390 HE ARG 60 HE ARG 60 7.352 10.938 -1.003
391 HH11 ARG 60 1HH1 ARG 60 9.662 10.476 1.560
392 HH12 ARG 60 2HH1 ARG 60 9.752 12.159 1.960
393 HH21 ARG 60 1HH2 ARG 60 7.461 13.157 -0.486
394 HH22 ARG 60 2HH2 ARG 60 8.498 13.683 0.796
395 H ALA 61 H ALA 61 4.527 7.069 -1.261
396 HA ALA 61 HA ALA 61 5.142 8.955 -3.292
397 HB1 ALA 61 1HB ALA 61 3.682 7.364 -4.696
398 HB2 ALA 61 2HB ALA 61 5.180 6.743 -4.004
399 HB3 ALA 61 3HB ALA 61 3.636 6.366 -3.242
400 H MET 62 H MET 62 2.171 8.075 -1.598
401 HA MET 62 HA MET 62 0.456 9.678 -3.211
402 HB3 MET 62 2HB MET 62 -1.204 9.302 -1.415
403 HG3 MET 62 2HG MET 62 -1.306 6.875 -1.460
404 HE1 MET 62 3HE MET 62 -3.152 8.168 -2.595
405 HE2 MET 62 1HE MET 62 -2.392 9.530 -3.418
406 HE3 MET 62 2HE MET 62 -3.324 8.352 -4.342
407 H GLY 63 H GLY 63 2.564 10.323 -0.561
408 HA2 GLY 63 2HA GLY 63 3.264 12.525 -0.019
409 HA3 GLY 63 3HA GLY 63 1.733 13.134 -0.631
410 H LEU 64 H LEU 64 1.427 10.389 1.350
411 HA LEU 64 HA LEU 64 0.028 11.883 3.351
412 HB3 LEU 64 2HB LEU 64 -0.559 9.815 4.290
413 HG LEU 64 HG LEU 64 -0.132 8.875 1.471
414 HD11 LEU 64 1HD1 LEU 64 -2.501 8.520 3.287
415 HD12 LEU 64 2HD1 LEU 64 -1.125 7.416 3.289
416 HD13 LEU 64 3HD1 LEU 64 -2.091 7.618 1.827
417 HD21 LEU 64 3HD2 LEU 64 -2.582 10.044 1.411
418 HD22 LEU 64 1HD2 LEU 64 -1.105 10.779 0.786
419 HD23 LEU 64 2HD2 LEU 64 -1.679 11.190 2.403
420 H SER 65 H SER 65 0.654 10.558 5.699
421 HA SER 65 HA SER 65 3.476 10.767 6.231
422 HB3 SER 65 2HB SER 65 3.020 13.108 6.359
423 HG SER 65 HG SER 65 1.313 13.816 7.838
424 H ALA 66 H ALA 66 0.694 11.351 8.352
425 HA ALA 66 HA ALA 66 1.569 9.291 10.160
426 HB1 ALA 66 1HB ALA 66 -0.053 10.077 11.641
427 HB2 ALA 66 2HB ALA 66 0.455 11.522 10.764
428 HB3 ALA 66 3HB ALA 66 -1.059 10.722 10.343
429 H VAL 67 H VAL 67 -0.363 9.363 7.395
430 HA VAL 67 HA VAL 67 -2.380 7.515 7.992
431 HB VAL 67 HB VAL 67 -0.986 7.975 5.351
432 HG11 VAL 67 1HG1 VAL 67 -3.445 6.444 6.110
433 HG12 VAL 67 2HG1 VAL 67 -3.282 7.157 4.504
434 HG13 VAL 67 3HG1 VAL 67 -2.112 5.962 5.063
435 HG21 VAL 67 3HG2 VAL 67 -1.894 10.036 5.908
436 HG22 VAL 67 1HG2 VAL 67 -3.187 9.286 4.972
437 HG23 VAL 67 2HG2 VAL 67 -3.278 9.317 6.733
438 H ALA 68 H ALA 68 0.986 7.088 7.688
439 HA ALA 68 HA ALA 68 1.448 4.652 6.624
440 HB1 ALA 68 1HB ALA 68 2.632 5.157 9.312
441 HB2 ALA 68 2HB ALA 68 3.394 4.560 7.836
442 HB3 ALA 68 3HB ALA 68 2.992 6.270 7.991
443 H MET 69 H MET 69 0.169 2.914 6.753
444 HA MET 69 HA MET 69 -0.915 1.105 7.605
445 HB3 MET 69 2HB MET 69 -0.165 0.160 9.625
446 HG3 MET 69 2HG MET 69 2.252 1.821 9.262
447 HE1 MET 69 3HE MET 69 0.577 -1.332 8.397
448 HE2 MET 69 1HE MET 69 1.936 -2.454 8.331
449 HE3 MET 69 2HE MET 69 0.942 -2.358 9.785
450 HA PRO 70 HA PRO 70 -4.206 3.871 9.252
451 HB3 PRO 70 2HB PRO 70 -5.034 4.164 7.128
452 HG3 PRO 70 2HG PRO 70 -4.625 2.601 5.456
453 HD3 PRO 70 2HD PRO 70 -2.480 2.913 6.238
454 H THR 71 H THR 71 -3.957 0.422 8.777
455 HA THR 71 HA THR 71 -5.026 -0.201 11.303
456 HB THR 71 HB THR 71 -7.168 0.432 10.222
457 HG1 THR 71 1HG THR 71 -7.864 -1.031 11.573
458 HG21 THR 71 3HG2 THR 71 -6.155 -0.829 8.000
459 HG22 THR 71 1HG2 THR 71 -7.835 -0.344 8.224
460 HG23 THR 71 2HG2 THR 71 -7.337 -1.993 8.599
461 H ASN 72 H ASN 72 -5.547 -2.649 11.434
462 HA ASN 72 HA ASN 72 -3.317 -4.109 10.769
463 HB3 ASN 72 2HB ASN 72 -6.071 -5.328 10.983
464 HD21 ASN 72 1HD2 ASN 72 -3.734 -6.033 13.313
465 HD22 ASN 72 2HD2 ASN 72 -3.215 -7.558 12.688
466 H PHE 73 H PHE 73 -2.670 -5.391 9.095
467 HA PHE 73 HA PHE 73 -4.360 -5.346 6.680
468 HB3 PHE 73 2HB PHE 73 -2.074 -5.582 5.483
469 HD1 PHE 73 2HD PHE 73 -4.155 -4.069 4.691
470 HD2 PHE 73 1HD PHE 73 -0.948 -2.793 7.183
471 HE1 PHE 73 2HE PHE 73 -4.577 -1.736 4.035
472 HE2 PHE 73 1HE PHE 73 -1.366 -0.458 6.532
473 HZ PHE 73 HZ PHE 73 -3.181 0.074 4.954
474 H ALA 74 H ALA 74 -2.685 -7.256 8.952
475 HA ALA 74 HA ALA 74 -1.995 -9.528 7.517
476 HB1 ALA 74 1HB ALA 74 -3.135 -9.540 10.304
477 HB2 ALA 74 2HB ALA 74 -2.024 -10.709 9.587
478 HB3 ALA 74 3HB ALA 74 -1.480 -9.065 9.922
479 H THR 75 H THR 75 -5.096 -8.256 8.182
480 HA THR 75 HA THR 75 -6.334 -10.743 7.196
481 HB THR 75 HB THR 75 -6.932 -10.456 9.537
482 HG1 THR 75 1HG THR 75 -9.038 -10.822 9.187
483 HG21 THR 75 3HG2 THR 75 -6.776 -7.778 9.085
484 HG22 THR 75 1HG2 THR 75 -7.530 -8.508 10.501
485 HG23 THR 75 2HG2 THR 75 -8.522 -8.019 9.127
486 H ALA 76 H ALA 76 -5.464 -7.906 6.141
487 HA ALA 76 HA ALA 76 -8.014 -7.228 4.842
488 HB1 ALA 76 1HB ALA 76 -7.266 -5.041 4.576
489 HB2 ALA 76 2HB ALA 76 -6.651 -5.492 6.166
490 HB3 ALA 76 3HB ALA 76 -5.572 -5.494 4.771
491 H THR 77 H THR 77 -7.664 -6.280 2.562
492 HA THR 77 HA THR 77 -5.813 -8.044 1.093
493 HB THR 77 HB THR 77 -7.421 -7.951 -0.799
494 HG1 THR 77 1HG THR 77 -9.146 -6.723 -0.667
495 HG21 THR 77 3HG2 THR 77 -7.452 -9.611 1.315
496 HG22 THR 77 1HG2 THR 77 -8.564 -9.761 -0.045
497 HG23 THR 77 2HG2 THR 77 -9.083 -8.952 1.435
498 H VAL 78 H VAL 78 -5.307 -7.187 -1.148
499 HA VAL 78 HA VAL 78 -3.937 -4.785 -0.991
500 HB VAL 78 HB VAL 78 -3.603 -4.903 -3.351
501 HG11 VAL 78 1HG1 VAL 78 -3.711 -7.747 -3.237
502 HG12 VAL 78 2HG1 VAL 78 -2.312 -6.686 -3.064
503 HG13 VAL 78 3HG1 VAL 78 -3.261 -7.135 -1.645
504 HG21 VAL 78 3HG2 VAL 78 -5.907 -5.125 -4.071
505 HG22 VAL 78 1HG2 VAL 78 -4.928 -6.400 -4.795
506 HG23 VAL 78 2HG2 VAL 78 -5.978 -6.765 -3.426
507 H ARG 79 H ARG 79 -7.238 -5.415 -2.024
508 HA ARG 79 HA ARG 79 -7.764 -2.872 -3.134
509 HB3 ARG 79 2HB ARG 79 -9.662 -4.874 -1.899
510 HG3 ARG 79 2HG ARG 79 -11.129 -3.703 -3.794
511 HD3 ARG 79 2HD ARG 79 -10.816 -2.589 -1.009
512 HE ARG 79 HE ARG 79 -12.544 -1.691 -2.875
513 HH11 ARG 79 1HH1 ARG 79 -12.959 -3.546 0.042
514 HH12 ARG 79 2HH1 ARG 79 -14.549 -2.935 0.359
515 HH21 ARG 79 1HH2 ARG 79 -14.637 -0.879 -2.468
516 HH22 ARG 79 2HH2 ARG 79 -15.503 -1.419 -1.070
517 H GLU 80 H GLU 80 -8.099 -4.180 0.127
518 HA GLU 80 HA GLU 80 -9.457 -1.974 1.245
519 HB3 GLU 80 2HB GLU 80 -8.545 -2.888 3.431
520 HG3 GLU 80 2HG GLU 80 -9.977 -4.734 1.543
521 H MET 81 H MET 81 -6.007 -2.828 1.166
522 HA MET 81 HA MET 81 -5.105 -0.564 2.585
523 HB3 MET 81 2HB MET 81 -3.654 -2.292 0.572
524 HG3 MET 81 2HG MET 81 -2.361 -0.712 2.761
525 HE1 MET 81 3HE MET 81 -0.882 -2.330 3.464
526 HE2 MET 81 1HE MET 81 -1.215 -3.747 2.468
527 HE3 MET 81 2HE MET 81 0.423 -3.099 2.559
528 H ALA 82 H ALA 82 -5.514 -1.199 -0.872
529 HA ALA 82 HA ALA 82 -4.400 1.254 -1.758
530 HB1 ALA 82 1HB ALA 82 -4.886 0.546 -3.861
531 HB2 ALA 82 2HB ALA 82 -5.011 -1.002 -3.023
532 HB3 ALA 82 3HB ALA 82 -6.469 -0.084 -3.404
533 H GLU 83 H GLU 83 -7.773 0.181 -1.351
534 HA GLU 83 HA GLU 83 -8.977 2.599 -2.107
535 HB3 GLU 83 2HB GLU 83 -10.902 1.704 -0.625
536 HG3 GLU 83 2HG GLU 83 -10.674 -0.528 -2.306
537 H ALA 84 H ALA 84 -7.729 1.473 0.979
538 HA ALA 84 HA ALA 84 -8.832 3.469 2.621
539 HB1 ALA 84 1HB ALA 84 -7.978 1.883 3.970
540 HB2 ALA 84 2HB ALA 84 -6.682 1.475 2.847
541 HB3 ALA 84 3HB ALA 84 -6.526 2.882 3.900
542 H LEU 85 H LEU 85 -5.708 3.303 0.935
543 HA LEU 85 HA LEU 85 -4.816 5.849 1.844
544 HB3 LEU 85 2HB LEU 85 -3.111 5.606 0.045
545 HG LEU 85 HG LEU 85 -3.408 3.078 1.665
546 HD11 LEU 85 1HD1 LEU 85 -1.522 2.379 0.737
547 HD12 LEU 85 2HD1 LEU 85 -0.719 3.898 1.130
548 HD13 LEU 85 3HD1 LEU 85 -1.606 3.737 -0.386
549 HD21 LEU 85 3HD2 LEU 85 -2.744 5.804 2.397
550 HD22 LEU 85 1HD2 LEU 85 -1.445 4.675 2.786
551 HD23 LEU 85 2HD2 LEU 85 -3.069 4.405 3.422
552 H GLU 86 H GLU 86 -6.274 4.705 -1.183
553 HA GLU 86 HA GLU 86 -6.182 7.143 -2.566
554 HB3 GLU 86 2HB GLU 86 -6.895 4.650 -3.255
555 HG3 GLU 86 2HG GLU 86 -9.503 6.140 -3.058
556 H ALA 87 H ALA 87 -8.464 5.867 -0.232
557 HA ALA 87 HA ALA 87 -10.533 7.746 -0.655
558 HB1 ALA 87 1HB ALA 87 -10.945 7.088 1.895
559 HB2 ALA 87 2HB ALA 87 -11.338 6.005 0.559
560 HB3 ALA 87 3HB ALA 87 -9.834 5.790 1.455
561 H ARG 88 H ARG 88 -7.666 7.754 1.395
562 HA ARG 88 HA ARG 88 -8.305 10.044 2.909
563 HB3 ARG 88 2HB ARG 88 -6.061 10.016 3.649
564 HG3 ARG 88 2HG ARG 88 -5.808 7.215 3.047
565 HD3 ARG 88 2HD ARG 88 -4.909 8.165 5.052
566 HE ARG 88 HE ARG 88 -6.121 9.846 6.000
567 HH11 ARG 88 1HH1 ARG 88 -8.257 7.183 5.314
568 HH12 ARG 88 2HH1 ARG 88 -9.625 7.909 6.091
569 HH21 ARG 88 1HH2 ARG 88 -7.915 10.814 7.026
570 HH22 ARG 88 2HH2 ARG 88 -9.429 9.975 7.064
571 H GLU 89 H GLU 89 -6.180 9.691 0.066
572 HA GLU 89 HA GLU 89 -5.719 12.465 -0.239
573 HB3 GLU 89 2HB GLU 89 -4.892 11.842 -2.504
574 HG3 GLU 89 2HG GLU 89 -3.513 9.713 -1.377
575 H ARG 90 H ARG 90 -8.192 10.297 -1.435
576 HA ARG 90 HA ARG 90 -9.251 11.909 -3.470
577 HB3 ARG 90 2HB ARG 90 -10.519 9.817 -1.706
578 HG3 ARG 90 2HG ARG 90 -11.693 11.012 -4.208
579 HD3 ARG 90 2HD ARG 90 -12.345 8.670 -2.497
580 HE ARG 90 HE ARG 90 -14.356 10.557 -3.298
581 HH11 ARG 90 1HH1 ARG 90 -13.658 7.196 -2.718
582 HH12 ARG 90 2HH1 ARG 90 -15.309 6.773 -2.403
583 HH21 ARG 90 1HH2 ARG 90 -16.533 10.013 -2.887
584 HH22 ARG 90 2HH2 ARG 90 -16.942 8.375 -2.501
585 H GLU 91 H GLU 91 -9.439 12.153 -0.038
586 HA GLU 91 HA GLU 91 -11.627 14.101 -0.218
587 HB3 GLU 91 2HB GLU 91 -10.418 13.023 2.321
588 HG3 GLU 91 2HG GLU 91 -12.849 14.549 1.625
589 H ALA 92 H ALA 92 -8.247 13.762 0.497
590 HA ALA 92 HA ALA 92 -7.696 16.039 1.956
591 HB1 ALA 92 1HB ALA 92 -5.826 14.771 1.712
592 HB2 ALA 92 2HB ALA 92 -6.163 14.395 0.022
593 HB3 ALA 92 3HB ALA 92 -5.503 15.970 0.460
594 HA PRO 93 HA PRO 93 -8.385 19.551 -0.583
595 HB3 PRO 93 2HB PRO 93 -7.589 20.839 1.144
596 HG3 PRO 93 2HG PRO 93 -5.793 20.131 2.440
597 HD3 PRO 93 2HD PRO 93 -7.109 18.239 2.518
598 H HIS 94 H HIS 94 -8.189 18.790 -2.691
599 HA HIS 94 HA HIS 94 -5.901 19.733 -4.139
600 HB3 HIS 94 2HB HIS 94 -5.166 17.476 -3.288
601 HD1 HIS 94 1HD HIS 94 -8.313 16.929 -3.189
602 HD2 HIS 94 2HD HIS 94 -5.526 14.966 -5.565
603 HE1 HIS 94 1HE HIS 94 -9.343 14.700 -3.730
604 H LEU 95 H LEU 95 -6.145 19.225 -6.532
605 HA LEU 95 HA LEU 95 -8.599 20.133 -7.455
606 HB3 LEU 95 2HB LEU 95 -7.333 18.499 -9.448
607 HG LEU 95 HG LEU 95 -6.840 20.560 -10.609
608 HD11 LEU 95 1HD1 LEU 95 -9.173 19.659 -10.556
609 HD12 LEU 95 2HD1 LEU 95 -9.055 21.385 -10.894
610 HD13 LEU 95 3HD1 LEU 95 -9.533 20.832 -9.288
611 HD21 LEU 95 3HD2 LEU 95 -7.984 22.285 -8.503
612 HD22 LEU 95 1HD2 LEU 95 -6.697 22.607 -9.665
613 HD23 LEU 95 2HD2 LEU 95 -6.358 21.667 -8.213
614 H GLU 96 H GLU 96 -10.499 19.156 -7.240
615 HA GLU 96 HA GLU 96 -10.752 16.376 -8.117
616 HB3 GLU 96 2HB GLU 96 -10.527 16.295 -5.670
617 HG3 GLU 96 2HG GLU 96 -12.815 18.219 -5.738
618 H HIS 97 H HIS 97 -13.288 15.837 -7.914
619 HA HIS 97 HA HIS 97 -14.561 17.798 -9.631
620 HB3 HIS 97 2HB HIS 97 -16.329 16.080 -9.879
621 HD1 HIS 97 1HD HIS 97 -14.935 16.544 -12.144
622 HD2 HIS 97 2HD HIS 97 -13.575 13.445 -9.735
623 HE1 HIS 97 1HE HIS 97 -13.433 15.161 -13.612
624 H HIS 98 H HIS 98 -17.085 17.938 -9.205
625 HA HIS 98 HA HIS 98 -17.448 18.652 -6.369
626 HB3 HIS 98 2HB HIS 98 -19.212 20.184 -7.996
627 HD1 HIS 98 1HD HIS 98 -15.912 21.735 -7.432
628 HD2 HIS 98 2HD HIS 98 -19.448 21.178 -5.323
629 HE1 HIS 98 1HE HIS 98 -15.783 23.309 -5.474
630 H HIS 99 H HIS 99 -19.994 19.107 -6.081
631 HA HIS 99 HA HIS 99 -21.319 16.654 -7.030
632 HB3 HIS 99 2HB HIS 99 -22.261 18.187 -4.634
633 HD1 HIS 99 1HD HIS 99 -21.414 14.840 -3.781
634 HD2 HIS 99 2HD HIS 99 -24.567 16.623 -5.816
635 HE1 HIS 99 1HE HIS 99 -23.281 13.155 -3.738
636 H HIS 100 H HIS 100 -23.146 16.809 -8.180
637 HA HIS 100 HA HIS 100 -24.560 19.385 -8.238
638 HB3 HIS 100 2HB HIS 100 -24.856 18.335 -10.803
639 HD1 HIS 100 1HD HIS 100 -25.561 20.673 -11.401
640 HD2 HIS 100 2HD HIS 100 -21.714 20.507 -9.841
641 HE1 HIS 100 1HE HIS 100 -24.601 22.973 -11.734
642 H HIS 101 H HIS 101 -26.775 19.282 -8.498
643 HA HIS 101 HA HIS 101 -28.870 18.405 -8.363
644 HB3 HIS 101 2HB HIS 101 -27.711 15.904 -9.600
645 HD1 HIS 101 1HD HIS 101 -30.302 17.068 -11.643
646 HD2 HIS 101 2HD HIS 101 -30.220 15.160 -7.954
647 HE1 HIS 101 1HE HIS 101 -32.580 16.041 -11.367
648 H HIS 102 H HIS 102 -29.275 18.195 -6.232
649 HA HIS 102 HA HIS 102 -28.256 15.832 -4.825
650 HB3 HIS 102 2HB HIS 102 -29.716 18.150 -3.566
651 HD1 HIS 102 1HD HIS 102 -28.785 18.453 -1.031
652 HD2 HIS 102 2HD HIS 102 -28.109 14.780 -2.851
653 HE1 HIS 102 1HE HIS 102 -28.251 16.862 0.843
Start of MODEL 8
1 H1 MET 1 H MET 1 -8.491 -15.928 -12.706
2 HA MET 1 HA MET 1 -10.547 -14.596 -13.086
3 HB3 MET 1 2HB MET 1 -10.409 -13.293 -10.826
4 HG3 MET 1 2HG MET 1 -9.900 -16.238 -10.615
5 HE1 MET 1 3HE MET 1 -13.313 -15.286 -9.889
6 HE2 MET 1 1HE MET 1 -12.851 -16.829 -9.170
7 HE3 MET 1 2HE MET 1 -13.391 -15.503 -8.140
8 H ALA 2 H ALA 2 -10.758 -13.086 -14.644
9 HA ALA 2 HA ALA 2 -10.783 -11.042 -15.645
10 HB1 ALA 2 1HB ALA 2 -10.938 -9.171 -14.311
11 HB2 ALA 2 2HB ALA 2 -11.328 -10.453 -13.164
12 HB3 ALA 2 3HB ALA 2 -9.714 -9.744 -13.178
13 H ARG 3 H ARG 3 -9.095 -11.602 -17.067
14 HA ARG 3 HA ARG 3 -6.362 -10.970 -16.322
15 HB3 ARG 3 2HB ARG 3 -5.846 -11.747 -18.644
16 HG3 ARG 3 2HG ARG 3 -7.598 -13.869 -17.542
17 HD3 ARG 3 2HD ARG 3 -4.734 -14.322 -17.831
18 HE ARG 3 HE ARG 3 -7.143 -15.747 -18.411
19 HH11 ARG 3 1HH1 ARG 3 -3.748 -15.529 -19.151
20 HH12 ARG 3 2HH1 ARG 3 -3.609 -17.192 -19.617
21 HH21 ARG 3 1HH2 ARG 3 -6.974 -17.938 -19.022
22 HH22 ARG 3 2HH2 ARG 3 -5.445 -18.562 -19.544
23 H ALA 4 H ALA 4 -7.551 -8.672 -16.046
24 HA ALA 4 HA ALA 4 -7.601 -7.152 -18.511
25 HB1 ALA 4 1HB ALA 4 -9.069 -5.980 -17.329
26 HB2 ALA 4 2HB ALA 4 -8.624 -6.825 -15.847
27 HB3 ALA 4 3HB ALA 4 -7.734 -5.386 -16.342
28 H ASP 5 H ASP 5 -5.408 -7.791 -15.901
29 HA ASP 5 HA ASP 5 -3.732 -5.594 -15.966
30 HB3 ASP 5 2HB ASP 5 -1.945 -7.144 -15.199
31 H ASP 6 H ASP 6 -2.786 -8.647 -17.520
32 HA ASP 6 HA ASP 6 -1.502 -9.062 -19.358
33 HB3 ASP 6 2HB ASP 6 -3.133 -6.751 -20.429
34 H THR 7 H THR 7 0.248 -8.136 -17.876
35 HA THR 7 HA THR 7 2.161 -6.930 -17.607
36 HB THR 7 HB THR 7 2.433 -5.791 -20.239
37 HG1 THR 7 1HG THR 7 1.723 -8.551 -20.115
38 HG21 THR 7 3HG2 THR 7 3.833 -7.739 -18.487
39 HG22 THR 7 1HG2 THR 7 4.440 -6.278 -19.265
40 HG23 THR 7 2HG2 THR 7 4.225 -7.755 -20.206
41 H ALA 8 H ALA 8 3.190 -4.646 -18.263
42 HA ALA 8 HA ALA 8 3.082 -2.416 -17.789
43 HB1 ALA 8 1HB ALA 8 0.501 -2.050 -19.149
44 HB2 ALA 8 2HB ALA 8 2.055 -1.263 -19.425
45 HB3 ALA 8 3HB ALA 8 1.747 -2.865 -20.096
46 H LEU 9 H LEU 9 1.051 -0.636 -17.349
47 HA LEU 9 HA LEU 9 0.333 -1.200 -14.676
48 HB3 LEU 9 2HB LEU 9 -1.237 0.853 -15.137
49 HG LEU 9 HG LEU 9 0.804 1.131 -13.832
50 HD11 LEU 9 1HD1 LEU 9 2.842 1.925 -15.236
51 HD12 LEU 9 2HD1 LEU 9 2.083 0.992 -16.527
52 HD13 LEU 9 3HD1 LEU 9 2.545 0.199 -15.022
53 HD21 LEU 9 3HD2 LEU 9 0.491 3.225 -15.980
54 HD22 LEU 9 1HD2 LEU 9 1.275 3.454 -14.418
55 HD23 LEU 9 2HD2 LEU 9 -0.454 3.114 -14.494
56 HA PRO 10 HA PRO 10 -3.295 -3.639 -15.493
57 HB3 PRO 10 2HB PRO 10 -2.738 -4.813 -13.599
58 HG3 PRO 10 2HG PRO 10 -1.632 -3.784 -11.832
59 HD3 PRO 10 2HD PRO 10 -0.287 -3.119 -13.582
60 H ALA 11 H ALA 11 -3.298 -0.745 -13.464
61 HA ALA 11 HA ALA 11 -5.852 0.040 -14.620
62 HB1 ALA 11 1HB ALA 11 -6.376 0.727 -12.061
63 HB2 ALA 11 2HB ALA 11 -6.949 -0.758 -12.824
64 HB3 ALA 11 3HB ALA 11 -5.500 -0.785 -11.819
65 H ALA 12 H ALA 12 -6.005 2.194 -14.930
66 HA ALA 12 HA ALA 12 -3.688 3.810 -14.310
67 HB1 ALA 12 1HB ALA 12 -4.257 4.772 -16.224
68 HB2 ALA 12 2HB ALA 12 -5.754 3.839 -16.276
69 HB3 ALA 12 3HB ALA 12 -5.718 5.401 -15.460
70 H THR 13 H THR 13 -6.296 2.953 -12.554
71 HA THR 13 HA THR 13 -7.540 5.133 -11.520
72 HB THR 13 HB THR 13 -6.457 2.830 -9.884
73 HG1 THR 13 1HG THR 13 -8.452 1.874 -10.342
74 HG21 THR 13 3HG2 THR 13 -7.147 4.410 -8.312
75 HG22 THR 13 1HG2 THR 13 -8.580 3.405 -8.526
76 HG23 THR 13 2HG2 THR 13 -8.477 4.975 -9.322
77 H GLY 14 H GLY 14 -4.254 4.058 -10.801
78 HA2 GLY 14 2HA GLY 14 -2.500 5.543 -10.234
79 HA3 GLY 14 3HA GLY 14 -3.697 6.714 -9.701
80 H ALA 15 H ALA 15 -4.852 6.240 -7.685
81 HA ALA 15 HA ALA 15 -3.061 5.553 -5.615
82 HB1 ALA 15 1HB ALA 15 -4.641 6.345 -4.208
83 HB2 ALA 15 2HB ALA 15 -5.329 6.983 -5.702
84 HB3 ALA 15 3HB ALA 15 -5.950 5.482 -5.016
85 H LEU 16 H LEU 16 -5.692 3.789 -7.177
86 HA LEU 16 HA LEU 16 -5.632 1.563 -5.410
87 HB3 LEU 16 2HB LEU 16 -6.537 1.311 -8.240
88 HG LEU 16 HG LEU 16 -8.432 0.125 -7.361
89 HD11 LEU 16 1HD1 LEU 16 -5.990 -0.883 -7.472
90 HD12 LEU 16 2HD1 LEU 16 -7.356 -1.820 -6.870
91 HD13 LEU 16 3HD1 LEU 16 -6.245 -1.053 -5.736
92 HD21 LEU 16 3HD2 LEU 16 -7.374 1.030 -4.700
93 HD22 LEU 16 1HD2 LEU 16 -8.459 -0.352 -4.853
94 HD23 LEU 16 2HD2 LEU 16 -8.989 1.245 -5.380
95 H GLU 17 H GLU 17 -4.189 2.200 -8.585
96 HA GLU 17 HA GLU 17 -2.983 -0.367 -8.828
97 HB3 GLU 17 2HB GLU 17 -3.503 1.310 -10.693
98 HG3 GLU 17 2HG GLU 17 -0.881 2.432 -9.742
99 H LEU 18 H LEU 18 -1.975 2.703 -7.474
100 HA LEU 18 HA LEU 18 0.768 2.273 -7.266
101 HB3 LEU 18 2HB LEU 18 -1.046 3.737 -5.354
102 HG LEU 18 HG LEU 18 1.917 3.695 -5.565
103 HD11 LEU 18 1HD1 LEU 18 0.487 6.077 -6.013
104 HD12 LEU 18 2HD1 LEU 18 2.212 5.886 -5.695
105 HD13 LEU 18 3HD1 LEU 18 1.093 6.150 -4.358
106 HD21 LEU 18 3HD2 LEU 18 0.122 3.013 -3.638
107 HD22 LEU 18 1HD2 LEU 18 0.549 4.655 -3.156
108 HD23 LEU 18 2HD2 LEU 18 1.809 3.434 -3.340
109 H VAL 19 H VAL 19 -1.778 1.563 -4.878
110 HA VAL 19 HA VAL 19 -0.086 0.372 -2.972
111 HB VAL 19 HB VAL 19 -3.028 0.339 -3.466
112 HG11 VAL 19 1HG1 VAL 19 -3.269 -1.151 -1.450
113 HG12 VAL 19 2HG1 VAL 19 -2.711 -1.950 -2.920
114 HG13 VAL 19 3HG1 VAL 19 -1.563 -1.555 -1.640
115 HG21 VAL 19 3HG2 VAL 19 -2.799 2.032 -2.033
116 HG22 VAL 19 1HG2 VAL 19 -2.470 0.822 -0.794
117 HG23 VAL 19 2HG2 VAL 19 -1.135 1.585 -1.658
118 H ARG 20 H ARG 20 -2.264 -1.161 -5.348
119 HA ARG 20 HA ARG 20 -1.567 -3.802 -4.844
120 HB3 ARG 20 2HB ARG 20 -2.112 -3.927 -7.477
121 HG3 ARG 20 2HG ARG 20 -3.956 -3.563 -5.159
122 HD3 ARG 20 2HD ARG 20 -4.733 -2.770 -7.660
123 HE ARG 20 HE ARG 20 -6.063 -5.337 -7.540
124 HH11 ARG 20 1HH1 ARG 20 -3.548 -3.419 -8.995
125 HH12 ARG 20 2HH1 ARG 20 -3.438 -4.405 -10.415
126 HH21 ARG 20 1HH2 ARG 20 -5.928 -6.642 -9.406
127 HH22 ARG 20 2HH2 ARG 20 -4.793 -6.238 -10.649
128 H HIS 21 H HIS 21 -0.031 -1.418 -6.942
129 HA HIS 21 HA HIS 21 1.771 -3.140 -8.237
130 HB3 HIS 21 2HB HIS 21 2.261 -0.237 -7.549
131 HD1 HIS 21 1HD HIS 21 3.032 -3.008 -10.020
132 HD2 HIS 21 2HD HIS 21 4.415 0.746 -8.898
133 HE1 HIS 21 1HE HIS 21 5.164 -2.664 -11.309
134 H LEU 22 H LEU 22 2.387 -0.944 -5.489
135 HA LEU 22 HA LEU 22 4.965 -1.805 -4.919
136 HB3 LEU 22 2HB LEU 22 4.594 -0.895 -2.665
137 HG LEU 22 HG LEU 22 3.376 0.834 -4.815
138 HD11 LEU 22 1HD1 LEU 22 3.662 2.696 -3.352
139 HD12 LEU 22 2HD1 LEU 22 4.426 1.686 -2.125
140 HD13 LEU 22 3HD1 LEU 22 2.715 1.479 -2.496
141 HD21 LEU 22 3HD2 LEU 22 6.113 1.069 -3.613
142 HD22 LEU 22 1HD2 LEU 22 5.503 1.739 -5.127
143 HD23 LEU 22 2HD2 LEU 22 5.799 0.005 -4.986
144 H VAL 23 H VAL 23 1.864 -3.032 -3.735
145 HA VAL 23 HA VAL 23 2.870 -4.883 -1.881
146 HB VAL 23 HB VAL 23 0.315 -4.995 -3.490
147 HG11 VAL 23 1HG1 VAL 23 0.546 -6.365 -0.878
148 HG12 VAL 23 2HG1 VAL 23 -0.372 -6.810 -2.319
149 HG13 VAL 23 3HG1 VAL 23 1.363 -7.119 -2.247
150 HG21 VAL 23 3HG2 VAL 23 -0.715 -3.795 -1.822
151 HG22 VAL 23 1HG2 VAL 23 0.469 -4.269 -0.602
152 HG23 VAL 23 2HG2 VAL 23 0.887 -3.057 -1.813
153 H ALA 24 H ALA 24 2.056 -5.243 -5.316
154 HA ALA 24 HA ALA 24 2.590 -7.998 -5.508
155 HB1 ALA 24 1HB ALA 24 2.945 -7.414 -7.987
156 HB2 ALA 24 2HB ALA 24 1.362 -7.106 -7.274
157 HB3 ALA 24 3HB ALA 24 2.493 -5.776 -7.516
158 H GLU 25 H GLU 25 4.642 -5.179 -6.225
159 HA GLU 25 HA GLU 25 6.909 -6.577 -7.060
160 HB3 GLU 25 2HB GLU 25 8.151 -4.537 -6.613
161 HG3 GLU 25 2HG GLU 25 5.404 -4.185 -7.727
162 H ARG 26 H ARG 26 5.626 -6.020 -3.889
163 HA ARG 26 HA ARG 26 8.056 -6.656 -2.490
164 HB3 ARG 26 2HB ARG 26 6.350 -6.870 -0.531
165 HG3 ARG 26 2HG ARG 26 5.898 -4.201 -0.970
166 HD3 ARG 26 2HD ARG 26 7.226 -5.674 0.830
167 HE ARG 26 HE ARG 26 9.410 -5.825 0.187
168 HH11 ARG 26 1HH1 ARG 26 8.204 -2.680 -0.688
169 HH12 ARG 26 2HH1 ARG 26 9.747 -2.089 -1.210
170 HH21 ARG 26 1HH2 ARG 26 11.448 -5.060 -0.495
171 HH22 ARG 26 2HH2 ARG 26 11.591 -3.444 -1.100
172 H ALA 27 H ALA 27 5.544 -8.434 -3.964
173 HA ALA 27 HA ALA 27 6.153 -10.841 -2.402
174 HB1 ALA 27 1HB ALA 27 4.190 -11.626 -4.084
175 HB2 ALA 27 2HB ALA 27 3.905 -10.918 -2.493
176 HB3 ALA 27 3HB ALA 27 3.823 -9.908 -3.936
177 H GLU 28 H GLU 28 7.472 -9.364 -4.925
178 HA GLU 28 HA GLU 28 8.815 -10.013 -6.643
179 HB3 GLU 28 2HB GLU 28 8.538 -12.868 -5.755
180 HG3 GLU 28 2HG GLU 28 10.051 -11.921 -7.707
181 H LEU 29 H LEU 29 6.627 -9.463 -7.717
182 HA LEU 29 HA LEU 29 6.049 -11.632 -9.583
183 HB3 LEU 29 2HB LEU 29 3.571 -10.899 -9.403
184 HG LEU 29 HG LEU 29 4.795 -12.566 -7.208
185 HD11 LEU 29 1HD1 LEU 29 2.815 -12.414 -6.200
186 HD12 LEU 29 2HD1 LEU 29 2.179 -13.363 -7.543
187 HD13 LEU 29 3HD1 LEU 29 2.081 -11.603 -7.584
188 HD21 LEU 29 3HD2 LEU 29 4.725 -13.106 -9.849
189 HD22 LEU 29 1HD2 LEU 29 3.162 -13.754 -9.350
190 HD23 LEU 29 2HD2 LEU 29 4.642 -14.339 -8.589
191 HA PRO 30 HA PRO 30 6.024 -8.476 -12.631
192 HB3 PRO 30 2HB PRO 30 5.698 -10.124 -14.198
193 HG3 PRO 30 2HG PRO 30 4.309 -11.938 -13.758
194 HD3 PRO 30 2HD PRO 30 5.617 -11.971 -11.860
195 H VAL 31 H VAL 31 3.576 -8.760 -10.454
196 HA VAL 31 HA VAL 31 2.052 -7.224 -9.702
197 HB VAL 31 HB VAL 31 2.774 -5.619 -12.158
198 HG11 VAL 31 1HG1 VAL 31 0.536 -5.158 -11.093
199 HG12 VAL 31 2HG1 VAL 31 1.419 -4.657 -9.649
200 HG13 VAL 31 3HG1 VAL 31 1.642 -3.787 -11.167
201 HG21 VAL 31 3HG2 VAL 31 3.648 -4.735 -9.491
202 HG22 VAL 31 1HG2 VAL 31 4.439 -6.187 -10.107
203 HG23 VAL 31 2HG2 VAL 31 4.495 -4.690 -11.037
204 H GLU 32 H GLU 32 1.996 -7.827 -13.194
205 HA GLU 32 HA GLU 32 -0.720 -7.373 -13.644
206 HB3 GLU 32 2HB GLU 32 1.033 -7.718 -15.400
207 HG3 GLU 32 2HG GLU 32 1.435 -10.175 -14.170
208 H VAL 33 H VAL 33 0.834 -9.889 -11.934
209 HA VAL 33 HA VAL 33 -1.414 -11.728 -12.186
210 HB VAL 33 HB VAL 33 -0.109 -13.325 -11.001
211 HG11 VAL 33 1HG1 VAL 33 0.952 -13.631 -12.931
212 HG12 VAL 33 2HG1 VAL 33 0.992 -11.896 -13.258
213 HG13 VAL 33 3HG1 VAL 33 2.262 -12.643 -12.287
214 HG21 VAL 33 3HG2 VAL 33 1.222 -10.945 -9.942
215 HG22 VAL 33 1HG2 VAL 33 1.001 -12.539 -9.219
216 HG23 VAL 33 2HG2 VAL 33 2.325 -12.260 -10.351
217 H LEU 34 H LEU 34 -0.519 -9.132 -10.256
218 HA LEU 34 HA LEU 34 -1.448 -9.993 -7.722
219 HB3 LEU 34 2HB LEU 34 -1.607 -7.138 -8.567
220 HG LEU 34 HG LEU 34 -0.482 -6.687 -6.428
221 HD11 LEU 34 1HD1 LEU 34 -2.364 -7.076 -5.032
222 HD12 LEU 34 2HD1 LEU 34 -2.893 -8.440 -6.016
223 HD13 LEU 34 3HD1 LEU 34 -2.976 -6.802 -6.664
224 HD21 LEU 34 3HD2 LEU 34 0.311 -8.274 -5.029
225 HD22 LEU 34 1HD2 LEU 34 0.434 -9.206 -6.521
226 HD23 LEU 34 2HD2 LEU 34 -0.950 -9.434 -5.451
227 H ARG 35 H ARG 35 -3.455 -10.406 -7.100
228 HA ARG 35 HA ARG 35 -5.684 -9.520 -8.755
229 HB3 ARG 35 2HB ARG 35 -6.414 -11.059 -6.407
230 HG3 ARG 35 2HG ARG 35 -7.202 -10.871 -9.082
231 HD3 ARG 35 2HD ARG 35 -7.324 -13.549 -9.261
232 HE ARG 35 HE ARG 35 -5.647 -11.611 -10.550
233 HH11 ARG 35 1HH1 ARG 35 -6.445 -14.991 -10.324
234 HH12 ARG 35 2HH1 ARG 35 -5.884 -15.364 -11.921
235 HH21 ARG 35 1HH2 ARG 35 -4.904 -12.088 -12.653
236 HH22 ARG 35 2HH2 ARG 35 -5.007 -13.712 -13.244
237 H ASP 36 H ASP 36 -7.587 -8.559 -7.812
238 HA ASP 36 HA ASP 36 -6.933 -6.452 -5.986
239 HB3 ASP 36 2HB ASP 36 -9.167 -5.656 -6.364
240 H ASP 37 H ASP 37 -8.018 -9.641 -5.624
241 HA ASP 37 HA ASP 37 -9.055 -9.072 -2.927
242 HB3 ASP 37 2HB ASP 37 -10.201 -11.227 -3.048
243 H SER 38 H SER 38 -6.216 -9.476 -3.987
244 HA SER 38 HA SER 38 -5.340 -11.927 -2.762
245 HB3 SER 38 2HB SER 38 -3.218 -11.422 -3.588
246 HG SER 38 HG SER 38 -4.080 -11.430 -5.510
247 H ARG 39 H ARG 39 -5.389 -12.112 -0.619
248 HA ARG 39 HA ARG 39 -5.315 -9.941 1.186
249 HB3 ARG 39 2HB ARG 39 -5.252 -11.596 2.930
250 HG3 ARG 39 2HG ARG 39 -6.734 -13.278 1.047
251 HD3 ARG 39 2HD ARG 39 -6.812 -12.764 3.720
252 HE ARG 39 HE ARG 39 -8.229 -10.637 2.784
253 HH11 ARG 39 1HH1 ARG 39 -9.029 -13.490 4.613
254 HH12 ARG 39 2HH1 ARG 39 -10.326 -12.731 5.476
255 HH21 ARG 39 1HH2 ARG 39 -9.934 -9.627 3.913
256 HH22 ARG 39 2HH2 ARG 39 -10.840 -10.534 5.077
257 H PHE 40 H PHE 40 -3.691 -9.483 2.799
258 HA PHE 40 HA PHE 40 -1.037 -9.481 1.658
259 HB3 PHE 40 2HB PHE 40 -0.452 -8.000 3.489
260 HD1 PHE 40 1HD PHE 40 -0.696 -6.967 1.112
261 HD2 PHE 40 2HD PHE 40 -3.778 -6.987 4.047
262 HE1 PHE 40 1HE PHE 40 -1.791 -5.082 -0.030
263 HE2 PHE 40 2HE PHE 40 -4.879 -5.104 2.910
264 HZ PHE 40 HZ PHE 40 -3.887 -4.149 0.868
265 H LEU 41 H LEU 41 -2.313 -11.997 2.678
266 HA LEU 41 HA LEU 41 0.017 -12.998 4.053
267 HB3 LEU 41 2HB LEU 41 -1.699 -14.081 5.764
268 HG LEU 41 HG LEU 41 -0.646 -11.279 6.153
269 HD11 LEU 41 1HD1 LEU 41 -0.773 -12.233 8.616
270 HD12 LEU 41 2HD1 LEU 41 -2.099 -13.165 7.924
271 HD13 LEU 41 3HD1 LEU 41 -2.137 -11.404 7.868
272 HD21 LEU 41 3HD2 LEU 41 1.342 -12.162 6.704
273 HD22 LEU 41 1HD2 LEU 41 0.800 -13.547 5.755
274 HD23 LEU 41 2HD2 LEU 41 0.615 -13.553 7.510
275 H ASP 42 H ASP 42 -3.249 -13.594 2.859
276 HA ASP 42 HA ASP 42 -3.049 -16.410 2.722
277 HB3 ASP 42 2HB ASP 42 -4.748 -14.901 0.781
278 H ASP 43 H ASP 43 -2.829 -13.972 0.126
279 HA ASP 43 HA ASP 43 -1.424 -15.951 -1.525
280 HB3 ASP 43 2HB ASP 43 -1.882 -13.666 -3.071
281 H LEU 44 H LEU 44 -1.243 -12.472 -0.753
282 HA LEU 44 HA LEU 44 1.340 -12.082 -1.784
283 HB3 LEU 44 2HB LEU 44 1.326 -9.984 -0.659
284 HG LEU 44 HG LEU 44 -1.477 -10.706 -1.486
285 HD11 LEU 44 1HD1 LEU 44 -1.673 -8.119 -1.560
286 HD12 LEU 44 2HD1 LEU 44 -0.395 -8.165 -0.345
287 HD13 LEU 44 3HD1 LEU 44 -1.934 -8.968 -0.037
288 HD21 LEU 44 3HD2 LEU 44 0.319 -10.629 -3.207
289 HD22 LEU 44 1HD2 LEU 44 0.587 -8.936 -2.788
290 HD23 LEU 44 2HD2 LEU 44 -0.964 -9.443 -3.458
291 H HIS 45 H HIS 45 0.219 -13.377 1.229
292 HA HIS 45 HA HIS 45 1.286 -14.110 3.111
293 HB3 HIS 45 2HB HIS 45 3.637 -14.679 1.316
294 HD1 HIS 45 1HD HIS 45 2.292 -17.713 2.478
295 HD2 HIS 45 2HD HIS 45 4.520 -14.692 4.259
296 HE1 HIS 45 1HE HIS 45 3.338 -18.759 4.512
297 H MET 46 H MET 46 1.373 -11.694 3.614
298 HA MET 46 HA MET 46 4.181 -10.959 4.101
299 HB3 MET 46 2HB MET 46 3.758 -8.681 3.623
300 HG3 MET 46 2HG MET 46 2.070 -9.200 1.430
301 HE1 MET 46 3HE MET 46 2.451 -7.620 0.124
302 HE2 MET 46 1HE MET 46 3.934 -6.744 -0.254
303 HE3 MET 46 2HE MET 46 3.540 -8.226 -1.124
304 H SER 47 H SER 47 4.446 -11.311 6.216
305 HA SER 47 HA SER 47 2.478 -11.310 8.178
306 HB3 SER 47 2HB SER 47 5.304 -11.629 8.074
307 HG SER 47 HG SER 47 5.654 -10.661 10.242
308 H SER 48 H SER 48 2.268 -9.817 10.033
309 HA SER 48 HA SER 48 1.393 -7.323 9.325
310 HB3 SER 48 2HB SER 48 1.022 -8.502 11.531
311 HG SER 48 HG SER 48 2.545 -8.395 13.062
312 H ILE 49 H ILE 49 4.654 -8.315 10.115
313 HA ILE 49 HA ILE 49 5.706 -5.656 10.301
314 HB ILE 49 HB ILE 49 7.270 -8.182 9.783
315 HG13 ILE 49 2HG1 ILE 49 7.454 -8.483 12.167
316 HG21 ILE 49 1HG2 ILE 49 8.030 -5.569 11.082
317 HG22 ILE 49 2HG2 ILE 49 9.082 -6.969 10.889
318 HG23 ILE 49 3HG2 ILE 49 8.502 -6.101 9.469
319 HD11 ILE 49 3HD1 ILE 49 6.168 -5.824 12.310
320 HD12 ILE 49 1HD1 ILE 49 5.728 -7.011 13.537
321 HD13 ILE 49 2HD1 ILE 49 7.416 -6.542 13.328
322 H THR 50 H THR 50 5.762 -8.202 7.827
323 HA THR 50 HA THR 50 7.321 -6.841 5.937
324 HB THR 50 HB THR 50 5.148 -8.886 5.441
325 HG1 THR 50 1HG THR 50 7.130 -10.246 5.280
326 HG21 THR 50 3HG2 THR 50 6.011 -7.432 3.485
327 HG22 THR 50 1HG2 THR 50 5.990 -9.183 3.285
328 HG23 THR 50 2HG2 THR 50 7.502 -8.356 3.659
329 H VAL 51 H VAL 51 3.858 -6.784 6.577
330 HA VAL 51 HA VAL 51 3.065 -5.364 4.276
331 HB VAL 51 HB VAL 51 1.698 -5.121 6.945
332 HG11 VAL 51 1HG1 VAL 51 0.926 -4.804 4.084
333 HG12 VAL 51 2HG1 VAL 51 -0.293 -5.321 5.250
334 HG13 VAL 51 3HG1 VAL 51 0.547 -3.785 5.473
335 HG21 VAL 51 3HG2 VAL 51 0.650 -7.258 5.331
336 HG22 VAL 51 1HG2 VAL 51 2.353 -7.539 5.696
337 HG23 VAL 51 2HG2 VAL 51 1.201 -7.288 7.007
338 H GLY 52 H GLY 52 3.807 -4.226 7.571
339 HA2 GLY 52 2HA GLY 52 3.367 -1.506 7.143
340 HA3 GLY 52 3HA GLY 52 4.466 -2.168 8.344
341 H GLN 53 H GLN 53 6.067 -3.503 6.219
342 HA GLN 53 HA GLN 53 7.953 -1.430 5.822
343 HB3 GLN 53 2HB GLN 53 9.255 -3.061 4.623
344 HG3 GLN 53 2HG GLN 53 8.388 -5.186 6.203
345 HE21 GLN 53 1HE2 GLN 53 9.601 -3.978 8.658
346 HE22 GLN 53 2HE2 GLN 53 11.292 -3.899 8.317
347 H LEU 54 H LEU 54 5.685 -3.062 3.635
348 HA LEU 54 HA LEU 54 6.451 -1.417 1.395
349 HB3 LEU 54 2HB LEU 54 5.506 -3.862 1.456
350 HG LEU 54 HG LEU 54 3.217 -2.865 2.368
351 HD11 LEU 54 1HD1 LEU 54 3.150 -1.420 0.224
352 HD12 LEU 54 2HD1 LEU 54 1.679 -2.234 0.758
353 HD13 LEU 54 3HD1 LEU 54 2.630 -2.910 -0.564
354 HD21 LEU 54 3HD2 LEU 54 2.434 -4.816 0.466
355 HD22 LEU 54 1HD2 LEU 54 2.745 -5.023 2.190
356 HD23 LEU 54 2HD2 LEU 54 4.056 -5.226 1.029
357 H VAL 55 H VAL 55 3.920 -1.469 3.809
358 HA VAL 55 HA VAL 55 2.079 0.264 2.627
359 HB VAL 55 HB VAL 55 2.749 -0.327 5.494
360 HG11 VAL 55 1HG1 VAL 55 1.107 1.887 4.425
361 HG12 VAL 55 2HG1 VAL 55 0.424 0.966 5.766
362 HG13 VAL 55 3HG1 VAL 55 1.988 1.759 5.946
363 HG21 VAL 55 3HG2 VAL 55 0.532 -1.355 5.476
364 HG22 VAL 55 1HG2 VAL 55 0.303 -0.844 3.804
365 HG23 VAL 55 2HG2 VAL 55 1.552 -2.025 4.203
366 H ASN 56 H ASN 56 5.090 0.908 4.295
367 HA ASN 56 HA ASN 56 4.708 3.682 4.700
368 HB3 ASN 56 2HB ASN 56 7.457 3.284 4.396
369 HD21 ASN 56 1HD2 ASN 56 6.849 1.600 7.129
370 HD22 ASN 56 2HD2 ASN 56 6.678 2.904 8.249
371 H GLU 57 H GLU 57 5.882 1.786 1.997
372 HA GLU 57 HA GLU 57 6.942 3.976 0.517
373 HB3 GLU 57 2HB GLU 57 5.944 1.413 -0.702
374 HG3 GLU 57 2HG GLU 57 6.871 3.101 -2.225
375 H ALA 58 H ALA 58 3.802 2.417 0.705
376 HA ALA 58 HA ALA 58 2.662 3.679 -1.567
377 HB1 ALA 58 1HB ALA 58 1.787 1.900 0.539
378 HB2 ALA 58 2HB ALA 58 0.564 3.115 0.160
379 HB3 ALA 58 3HB ALA 58 1.194 2.071 -1.113
380 H ALA 59 H ALA 59 2.360 4.353 1.921
381 HA ALA 59 HA ALA 59 0.738 6.597 1.758
382 HB1 ALA 59 1HB ALA 59 2.322 5.307 3.761
383 HB2 ALA 59 2HB ALA 59 2.525 7.054 3.883
384 HB3 ALA 59 3HB ALA 59 0.912 6.348 3.955
385 H ARG 60 H ARG 60 4.286 6.406 1.702
386 HA ARG 60 HA ARG 60 4.820 9.143 1.608
387 HB3 ARG 60 2HB ARG 60 6.549 7.303 0.034
388 HG3 ARG 60 2HG ARG 60 6.914 9.778 1.204
389 HD3 ARG 60 2HD ARG 60 7.224 8.076 3.290
390 HE ARG 60 HE ARG 60 9.508 7.541 1.861
391 HH11 ARG 60 1HH1 ARG 60 8.754 8.894 4.979
392 HH12 ARG 60 2HH1 ARG 60 10.217 8.336 5.720
393 HH21 ARG 60 1HH2 ARG 60 11.438 6.800 2.826
394 HH22 ARG 60 2HH2 ARG 60 11.743 7.145 4.494
395 H ALA 61 H ALA 61 3.998 6.874 -0.951
396 HA ALA 61 HA ALA 61 4.542 8.625 -3.120
397 HB1 ALA 61 1HB ALA 61 3.317 7.027 -4.479
398 HB2 ALA 61 2HB ALA 61 4.415 6.190 -3.380
399 HB3 ALA 61 3HB ALA 61 2.688 6.247 -3.027
400 H MET 62 H MET 62 1.602 7.841 -1.301
401 HA MET 62 HA MET 62 -0.110 9.481 -2.879
402 HB3 MET 62 2HB MET 62 -1.764 9.106 -1.125
403 HG3 MET 62 2HG MET 62 -1.883 6.718 -1.072
404 HE1 MET 62 3HE MET 62 -3.586 7.860 -2.552
405 HE2 MET 62 1HE MET 62 -2.702 9.185 -3.310
406 HE3 MET 62 2HE MET 62 -3.497 7.971 -4.311
407 H GLY 63 H GLY 63 2.251 10.198 -0.586
408 HA2 GLY 63 2HA GLY 63 2.928 12.423 -0.122
409 HA3 GLY 63 3HA GLY 63 1.287 12.962 -0.444
410 H LEU 64 H LEU 64 1.410 10.189 1.496
411 HA LEU 64 HA LEU 64 0.400 11.642 3.760
412 HB3 LEU 64 2HB LEU 64 0.072 9.489 4.776
413 HG LEU 64 HG LEU 64 -0.497 8.823 1.913
414 HD11 LEU 64 1HD1 LEU 64 -2.382 8.551 4.203
415 HD12 LEU 64 2HD1 LEU 64 -1.039 7.417 4.056
416 HD13 LEU 64 3HD1 LEU 64 -2.216 7.563 2.751
417 HD21 LEU 64 3HD2 LEU 64 -2.534 10.196 2.061
418 HD22 LEU 64 1HD2 LEU 64 -1.065 11.171 2.108
419 HD23 LEU 64 2HD2 LEU 64 -1.962 10.856 3.594
420 H SER 65 H SER 65 1.370 10.288 5.931
421 HA SER 65 HA SER 65 4.239 10.274 5.974
422 HB3 SER 65 2HB SER 65 4.018 12.656 6.063
423 HG SER 65 HG SER 65 2.538 13.677 7.268
424 H ALA 66 H ALA 66 1.872 11.162 8.471
425 HA ALA 66 HA ALA 66 2.868 9.080 10.205
426 HB1 ALA 66 1HB ALA 66 0.952 10.001 11.691
427 HB2 ALA 66 2HB ALA 66 2.376 11.000 11.396
428 HB3 ALA 66 3HB ALA 66 0.888 11.299 10.500
429 H VAL 67 H VAL 67 0.522 9.276 7.800
430 HA VAL 67 HA VAL 67 -1.540 7.667 8.830
431 HB VAL 67 HB VAL 67 -0.646 7.878 5.951
432 HG11 VAL 67 1HG1 VAL 67 -2.773 6.427 7.264
433 HG12 VAL 67 2HG1 VAL 67 -3.407 7.573 6.080
434 HG13 VAL 67 3HG1 VAL 67 -2.229 6.356 5.588
435 HG21 VAL 67 3HG2 VAL 67 -1.086 10.075 6.457
436 HG22 VAL 67 1HG2 VAL 67 -2.695 9.520 5.995
437 HG23 VAL 67 2HG2 VAL 67 -2.269 9.667 7.700
438 H ALA 68 H ALA 68 1.655 6.895 8.044
439 HA ALA 68 HA ALA 68 1.840 4.494 6.916
440 HB1 ALA 68 1HB ALA 68 3.121 4.679 9.598
441 HB2 ALA 68 2HB ALA 68 3.792 4.135 8.061
442 HB3 ALA 68 3HB ALA 68 3.560 5.857 8.362
443 H MET 69 H MET 69 0.423 2.868 6.966
444 HA MET 69 HA MET 69 -0.787 1.099 7.731
445 HB3 MET 69 2HB MET 69 -0.136 0.012 9.705
446 HG3 MET 69 2HG MET 69 2.380 1.552 9.481
447 HE1 MET 69 3HE MET 69 0.569 -1.480 8.465
448 HE2 MET 69 1HE MET 69 1.889 -2.646 8.362
449 HE3 MET 69 2HE MET 69 0.869 -2.594 9.800
450 HA PRO 70 HA PRO 70 -3.906 4.025 9.415
451 HB3 PRO 70 2HB PRO 70 -4.693 4.406 7.290
452 HG3 PRO 70 2HG PRO 70 -4.373 2.847 5.596
453 HD3 PRO 70 2HD PRO 70 -2.219 3.006 6.400
454 H THR 71 H THR 71 -3.855 0.578 8.907
455 HA THR 71 HA THR 71 -5.009 -0.004 11.406
456 HB THR 71 HB THR 71 -7.089 0.750 10.285
457 HG1 THR 71 1HG THR 71 -7.648 -0.694 11.771
458 HG21 THR 71 3HG2 THR 71 -6.111 -0.493 8.064
459 HG22 THR 71 1HG2 THR 71 -7.791 -0.008 8.284
460 HG23 THR 71 2HG2 THR 71 -7.299 -1.666 8.631
461 H ASN 72 H ASN 72 -5.657 -2.419 11.511
462 HA ASN 72 HA ASN 72 -3.494 -3.992 10.878
463 HB3 ASN 72 2HB ASN 72 -6.175 -5.300 10.895
464 HD21 ASN 72 1HD2 ASN 72 -5.601 -7.342 10.773
465 HD22 ASN 72 2HD2 ASN 72 -4.319 -8.093 11.655
466 H PHE 73 H PHE 73 -2.899 -5.322 9.216
467 HA PHE 73 HA PHE 73 -4.546 -5.191 6.776
468 HB3 PHE 73 2HB PHE 73 -2.251 -5.488 5.605
469 HD1 PHE 73 2HD PHE 73 -4.328 -3.919 4.837
470 HD2 PHE 73 1HD PHE 73 -1.039 -2.734 7.263
471 HE1 PHE 73 2HE PHE 73 -4.686 -1.577 4.171
472 HE2 PHE 73 1HE PHE 73 -1.392 -0.389 6.602
473 HZ PHE 73 HZ PHE 73 -3.217 0.191 5.053
474 H ALA 74 H ALA 74 -2.927 -7.153 9.049
475 HA ALA 74 HA ALA 74 -2.291 -9.437 7.612
476 HB1 ALA 74 1HB ALA 74 -3.473 -9.473 10.379
477 HB2 ALA 74 2HB ALA 74 -2.331 -10.614 9.668
478 HB3 ALA 74 3HB ALA 74 -1.816 -8.969 10.043
479 H THR 75 H THR 75 -5.372 -8.104 8.308
480 HA THR 75 HA THR 75 -6.665 -10.553 7.297
481 HB THR 75 HB THR 75 -7.285 -10.218 9.628
482 HG1 THR 75 1HG THR 75 -8.949 -11.019 8.377
483 HG21 THR 75 3HG2 THR 75 -7.059 -7.544 9.125
484 HG22 THR 75 1HG2 THR 75 -7.823 -8.238 10.554
485 HG23 THR 75 2HG2 THR 75 -8.810 -7.751 9.176
486 H ALA 76 H ALA 76 -5.701 -7.744 6.235
487 HA ALA 76 HA ALA 76 -8.209 -7.027 4.872
488 HB1 ALA 76 1HB ALA 76 -7.376 -4.854 4.565
489 HB2 ALA 76 2HB ALA 76 -6.916 -5.287 6.213
490 HB3 ALA 76 3HB ALA 76 -5.720 -5.347 4.917
491 H THR 77 H THR 77 -7.817 -6.126 2.596
492 HA THR 77 HA THR 77 -5.902 -7.870 1.187
493 HB THR 77 HB THR 77 -7.562 -7.705 -0.756
494 HG1 THR 77 1HG THR 77 -9.029 -6.214 -0.147
495 HG21 THR 77 3HG2 THR 77 -7.404 -9.464 1.456
496 HG22 THR 77 1HG2 THR 77 -7.988 -9.811 -0.171
497 HG23 THR 77 2HG2 THR 77 -9.112 -9.258 1.070
498 H VAL 78 H VAL 78 -5.510 -7.033 -1.126
499 HA VAL 78 HA VAL 78 -4.159 -4.622 -1.029
500 HB VAL 78 HB VAL 78 -3.996 -4.708 -3.431
501 HG11 VAL 78 1HG1 VAL 78 -3.878 -7.530 -3.322
502 HG12 VAL 78 2HG1 VAL 78 -2.557 -6.373 -3.146
503 HG13 VAL 78 3HG1 VAL 78 -3.446 -6.923 -1.724
504 HG21 VAL 78 3HG2 VAL 78 -6.295 -5.076 -4.031
505 HG22 VAL 78 1HG2 VAL 78 -5.315 -6.363 -4.734
506 HG23 VAL 78 2HG2 VAL 78 -6.276 -6.676 -3.289
507 H ARG 79 H ARG 79 -7.500 -5.269 -1.920
508 HA ARG 79 HA ARG 79 -8.085 -2.711 -2.976
509 HB3 ARG 79 2HB ARG 79 -9.993 -4.651 -1.660
510 HG3 ARG 79 2HG ARG 79 -10.721 -2.237 -2.355
511 HD3 ARG 79 2HD ARG 79 -9.683 -2.656 -4.679
512 HE ARG 79 HE ARG 79 -10.644 -4.430 -5.746
513 HH11 ARG 79 1HH1 ARG 79 -13.129 -2.632 -4.100
514 HH12 ARG 79 2HH1 ARG 79 -14.428 -3.560 -4.773
515 HH21 ARG 79 1HH2 ARG 79 -12.346 -5.659 -6.638
516 HH22 ARG 79 2HH2 ARG 79 -13.981 -5.283 -6.215
517 H GLU 80 H GLU 80 -8.265 -4.074 0.272
518 HA GLU 80 HA GLU 80 -9.609 -1.898 1.477
519 HB3 GLU 80 2HB GLU 80 -8.369 -2.884 3.584
520 HG3 GLU 80 2HG GLU 80 -10.111 -4.947 2.395
521 H MET 81 H MET 81 -6.157 -2.742 1.300
522 HA MET 81 HA MET 81 -5.232 -0.480 2.707
523 HB3 MET 81 2HB MET 81 -3.813 -2.185 0.653
524 HG3 MET 81 2HG MET 81 -2.500 -0.630 2.849
525 HE1 MET 81 3HE MET 81 -1.020 -2.320 3.514
526 HE2 MET 81 1HE MET 81 -1.451 -3.682 2.478
527 HE3 MET 81 2HE MET 81 0.223 -3.130 2.558
528 H ALA 82 H ALA 82 -5.705 -1.105 -0.744
529 HA ALA 82 HA ALA 82 -4.622 1.362 -1.636
530 HB1 ALA 82 1HB ALA 82 -5.200 0.695 -3.751
531 HB2 ALA 82 2HB ALA 82 -5.155 -0.863 -2.925
532 HB3 ALA 82 3HB ALA 82 -6.700 -0.067 -3.221
533 H GLU 83 H GLU 83 -7.938 0.264 -1.000
534 HA GLU 83 HA GLU 83 -9.258 2.591 -1.829
535 HB3 GLU 83 2HB GLU 83 -11.016 1.767 -0.087
536 HG3 GLU 83 2HG GLU 83 -11.365 -0.394 -1.536
537 H ALA 84 H ALA 84 -7.925 1.673 1.316
538 HA ALA 84 HA ALA 84 -8.881 3.861 2.789
539 HB1 ALA 84 1HB ALA 84 -8.019 2.548 4.362
540 HB2 ALA 84 2HB ALA 84 -7.017 1.693 3.189
541 HB3 ALA 84 3HB ALA 84 -6.434 3.185 3.926
542 H LEU 85 H LEU 85 -5.882 3.414 0.956
543 HA LEU 85 HA LEU 85 -4.779 5.943 1.660
544 HB3 LEU 85 2HB LEU 85 -3.455 5.375 -0.578
545 HG LEU 85 HG LEU 85 -3.093 4.243 2.142
546 HD11 LEU 85 1HD1 LEU 85 -2.654 2.370 0.529
547 HD12 LEU 85 2HD1 LEU 85 -1.278 2.847 1.522
548 HD13 LEU 85 3HD1 LEU 85 -1.369 3.361 -0.162
549 HD21 LEU 85 3HD2 LEU 85 -2.285 6.514 1.092
550 HD22 LEU 85 1HD2 LEU 85 -0.981 5.505 0.465
551 HD23 LEU 85 2HD2 LEU 85 -1.256 5.611 2.204
552 H GLU 86 H GLU 86 -6.535 4.731 -1.173
553 HA GLU 86 HA GLU 86 -6.387 7.076 -2.711
554 HB3 GLU 86 2HB GLU 86 -7.322 4.591 -3.171
555 HG3 GLU 86 2HG GLU 86 -9.450 5.288 -1.879
556 H ALA 87 H ALA 87 -8.539 6.103 -0.128
557 HA ALA 87 HA ALA 87 -10.523 8.081 -0.523
558 HB1 ALA 87 1HB ALA 87 -10.828 7.610 2.059
559 HB2 ALA 87 2HB ALA 87 -11.301 6.425 0.841
560 HB3 ALA 87 3HB ALA 87 -9.767 6.250 1.692
561 H ARG 88 H ARG 88 -7.509 8.022 1.302
562 HA ARG 88 HA ARG 88 -7.857 10.389 2.759
563 HB3 ARG 88 2HB ARG 88 -5.547 10.298 3.217
564 HG3 ARG 88 2HG ARG 88 -5.380 7.499 2.658
565 HD3 ARG 88 2HD ARG 88 -4.338 8.435 4.579
566 HE ARG 88 HE ARG 88 -5.415 10.197 5.548
567 HH11 ARG 88 1HH1 ARG 88 -7.693 7.600 5.112
568 HH12 ARG 88 2HH1 ARG 88 -8.972 8.406 5.959
569 HH21 ARG 88 1HH2 ARG 88 -7.091 11.268 6.665
570 HH22 ARG 88 2HH2 ARG 88 -8.629 10.493 6.841
571 H GLU 89 H GLU 89 -6.084 9.897 -0.299
572 HA GLU 89 HA GLU 89 -5.648 12.660 -0.748
573 HB3 GLU 89 2HB GLU 89 -5.257 11.799 -3.171
574 HG3 GLU 89 2HG GLU 89 -3.354 10.231 -1.742
575 H ARG 90 H ARG 90 -8.211 10.445 -1.626
576 HA ARG 90 HA ARG 90 -9.465 11.982 -3.609
577 HB3 ARG 90 2HB ARG 90 -10.582 9.970 -1.656
578 HG3 ARG 90 2HG ARG 90 -11.911 11.100 -4.110
579 HD3 ARG 90 2HD ARG 90 -12.534 8.782 -2.314
580 HE ARG 90 HE ARG 90 -14.689 9.575 -2.351
581 HH11 ARG 90 1HH1 ARG 90 -13.260 9.929 -5.505
582 HH12 ARG 90 2HH1 ARG 90 -14.751 10.355 -6.277
583 HH21 ARG 90 1HH2 ARG 90 -16.659 10.135 -3.355
584 HH22 ARG 90 2HH2 ARG 90 -16.684 10.474 -5.052
585 H GLU 91 H GLU 91 -9.556 12.157 -0.119
586 HA GLU 91 HA GLU 91 -11.393 14.453 -0.330
587 HB3 GLU 91 2HB GLU 91 -11.060 12.749 2.133
588 HG3 GLU 91 2HG GLU 91 -12.329 15.137 1.841
589 H ALA 92 H ALA 92 -8.468 14.415 -0.527
590 HA ALA 92 HA ALA 92 -7.375 15.386 1.926
591 HB1 ALA 92 1HB ALA 92 -6.386 14.626 -0.616
592 HB2 ALA 92 2HB ALA 92 -5.822 16.265 -0.289
593 HB3 ALA 92 3HB ALA 92 -5.478 14.969 0.857
594 HA PRO 93 HA PRO 93 -8.361 19.659 1.815
595 HB3 PRO 93 2HB PRO 93 -7.118 19.900 3.732
596 HG3 PRO 93 2HG PRO 93 -5.134 18.724 4.030
597 HD3 PRO 93 2HD PRO 93 -6.527 16.998 3.403
598 H HIS 94 H HIS 94 -7.942 21.701 0.778
599 HA HIS 94 HA HIS 94 -7.456 22.999 -1.025
600 HB3 HIS 94 2HB HIS 94 -5.178 23.091 -1.760
601 HD1 HIS 94 1HD HIS 94 -3.487 21.462 0.832
602 HD2 HIS 94 2HD HIS 94 -6.069 24.715 0.718
603 HE1 HIS 94 1HE HIS 94 -3.048 22.744 2.950
604 H LEU 95 H LEU 95 -9.207 21.696 -2.046
605 HA LEU 95 HA LEU 95 -8.234 19.902 -4.153
606 HB3 LEU 95 2HB LEU 95 -10.485 19.121 -4.365
607 HG LEU 95 HG LEU 95 -9.292 19.090 -1.710
608 HD11 LEU 95 1HD1 LEU 95 -11.122 19.590 -0.531
609 HD12 LEU 95 2HD1 LEU 95 -11.728 18.020 -1.060
610 HD13 LEU 95 3HD1 LEU 95 -12.174 19.480 -1.942
611 HD21 LEU 95 3HD2 LEU 95 -10.937 16.837 -2.512
612 HD22 LEU 95 1HD2 LEU 95 -9.208 16.912 -2.174
613 HD23 LEU 95 2HD2 LEU 95 -9.812 17.330 -3.777
614 H GLU 96 H GLU 96 -9.851 20.059 -6.164
615 HA GLU 96 HA GLU 96 -9.767 22.878 -7.011
616 HB3 GLU 96 2HB GLU 96 -10.052 20.902 -9.140
617 HG3 GLU 96 2HG GLU 96 -7.664 22.637 -8.849
618 H HIS 97 H HIS 97 -11.785 23.591 -6.484
619 HA HIS 97 HA HIS 97 -14.006 22.352 -7.951
620 HB3 HIS 97 2HB HIS 97 -14.326 21.567 -5.716
621 HD1 HIS 97 1HD HIS 97 -13.366 21.691 -3.455
622 HD2 HIS 97 2HD HIS 97 -14.108 25.471 -5.010
623 HE1 HIS 97 1HE HIS 97 -12.621 23.307 -1.678
624 H HIS 98 H HIS 98 -16.032 23.984 -7.480
625 HA HIS 98 HA HIS 98 -15.073 26.725 -7.913
626 HB3 HIS 98 2HB HIS 98 -17.384 25.770 -9.540
627 HD1 HIS 98 1HD HIS 98 -14.724 26.856 -11.637
628 HD2 HIS 98 2HD HIS 98 -17.465 28.773 -9.173
629 HE1 HIS 98 1HE HIS 98 -14.780 29.243 -12.423
630 H HIS 99 H HIS 99 -15.761 27.273 -5.832
631 HA HIS 99 HA HIS 99 -18.580 27.872 -5.635
632 HB3 HIS 99 2HB HIS 99 -18.129 26.778 -3.118
633 HD1 HIS 99 1HD HIS 99 -19.081 23.786 -4.355
634 HD2 HIS 99 2HD HIS 99 -20.831 27.537 -4.715
635 HE1 HIS 99 1HE HIS 99 -21.501 23.351 -4.881
636 H HIS 100 H HIS 100 -19.071 29.303 -3.835
637 HA HIS 100 HA HIS 100 -16.744 30.945 -3.141
638 HB3 HIS 100 2HB HIS 100 -19.555 31.809 -2.601
639 HD1 HIS 100 1HD HIS 100 -19.492 34.158 -1.843
640 HD2 HIS 100 2HD HIS 100 -16.114 33.157 -4.046
641 HE1 HIS 100 1HE HIS 100 -18.020 36.196 -1.780
642 H HIS 101 H HIS 101 -17.443 28.432 -1.772
643 HA HIS 101 HA HIS 101 -17.878 29.516 0.935
644 HB3 HIS 101 2HB HIS 101 -18.477 26.855 1.180
645 HD1 HIS 101 1HD HIS 101 -21.311 28.295 -0.585
646 HD2 HIS 101 2HD HIS 101 -19.664 28.594 3.218
647 HE1 HIS 101 1HE HIS 101 -23.114 29.300 0.851
648 H HIS 102 H HIS 102 -16.996 27.872 2.630
649 HA HIS 102 HA HIS 102 -15.132 27.030 3.630
650 HB3 HIS 102 2HB HIS 102 -13.995 25.232 2.488
651 HD1 HIS 102 1HD HIS 102 -16.019 24.441 4.167
652 HD2 HIS 102 2HD HIS 102 -16.859 24.603 0.101
653 HE1 HIS 102 1HE HIS 102 -18.075 23.028 3.848
Start of MODEL 9
1 H1 MET 1 H MET 1 -8.446 -11.199 -15.512
2 HA MET 1 HA MET 1 -8.405 -12.336 -17.525
3 HB3 MET 1 2HB MET 1 -10.730 -12.653 -18.685
4 HG3 MET 1 2HG MET 1 -9.608 -14.110 -16.371
5 HE1 MET 1 3HE MET 1 -10.203 -16.363 -15.792
6 HE2 MET 1 1HE MET 1 -11.223 -15.738 -14.496
7 HE3 MET 1 2HE MET 1 -11.834 -16.997 -15.568
8 H ALA 2 H ALA 2 -7.313 -10.513 -18.309
9 HA ALA 2 HA ALA 2 -8.600 -9.174 -20.459
10 HB1 ALA 2 1HB ALA 2 -8.831 -7.007 -19.703
11 HB2 ALA 2 2HB ALA 2 -9.343 -7.937 -18.295
12 HB3 ALA 2 3HB ALA 2 -7.721 -7.247 -18.353
13 H ARG 3 H ARG 3 -6.989 -7.030 -20.874
14 HA ARG 3 HA ARG 3 -4.225 -7.915 -20.557
15 HB3 ARG 3 2HB ARG 3 -4.670 -8.927 -22.633
16 HG3 ARG 3 2HG ARG 3 -6.224 -6.455 -23.301
17 HD3 ARG 3 2HD ARG 3 -4.474 -7.647 -25.072
18 HE ARG 3 HE ARG 3 -5.615 -9.501 -25.792
19 HH11 ARG 3 1HH1 ARG 3 -7.833 -6.841 -25.448
20 HH12 ARG 3 2HH1 ARG 3 -9.152 -7.672 -26.204
21 HH21 ARG 3 1HH2 ARG 3 -7.344 -10.606 -26.790
22 HH22 ARG 3 2HH2 ARG 3 -8.872 -9.814 -26.966
23 H ALA 4 H ALA 4 -5.973 -5.680 -19.622
24 HA ALA 4 HA ALA 4 -4.847 -3.344 -20.935
25 HB1 ALA 4 1HB ALA 4 -7.025 -2.881 -20.400
26 HB2 ALA 4 2HB ALA 4 -6.970 -3.808 -18.900
27 HB3 ALA 4 3HB ALA 4 -6.204 -2.221 -18.985
28 H ASP 5 H ASP 5 -4.350 -5.259 -18.085
29 HA ASP 5 HA ASP 5 -2.478 -3.268 -17.011
30 HB3 ASP 5 2HB ASP 5 -4.159 -4.082 -15.431
31 H ASP 6 H ASP 6 -2.192 -5.372 -19.269
32 HA ASP 6 HA ASP 6 -0.269 -7.259 -18.426
33 HB3 ASP 6 2HB ASP 6 -0.197 -6.239 -21.223
34 H THR 7 H THR 7 1.324 -6.269 -17.209
35 HA THR 7 HA THR 7 3.264 -5.160 -16.771
36 HB THR 7 HB THR 7 4.287 -4.737 -19.414
37 HG1 THR 7 1HG THR 7 3.947 -6.692 -20.347
38 HG21 THR 7 3HG2 THR 7 4.916 -6.687 -17.202
39 HG22 THR 7 1HG2 THR 7 5.726 -5.161 -17.554
40 HG23 THR 7 2HG2 THR 7 5.889 -6.522 -18.664
41 H ALA 8 H ALA 8 4.671 -3.181 -17.606
42 HA ALA 8 HA ALA 8 4.720 -0.900 -17.687
43 HB1 ALA 8 1HB ALA 8 4.080 -1.802 -20.116
44 HB2 ALA 8 2HB ALA 8 2.646 -0.824 -19.796
45 HB3 ALA 8 3HB ALA 8 4.247 -0.085 -19.748
46 H LEU 9 H LEU 9 2.855 1.032 -18.294
47 HA LEU 9 HA LEU 9 1.416 1.233 -15.873
48 HB3 LEU 9 2HB LEU 9 2.236 3.163 -17.159
49 HG LEU 9 HG LEU 9 1.019 2.121 -19.391
50 HD11 LEU 9 1HD1 LEU 9 -1.034 3.382 -18.041
51 HD12 LEU 9 2HD1 LEU 9 -1.002 2.978 -19.757
52 HD13 LEU 9 3HD1 LEU 9 -0.504 4.582 -19.220
53 HD21 LEU 9 3HD2 LEU 9 2.906 3.791 -19.122
54 HD22 LEU 9 1HD2 LEU 9 1.661 5.038 -19.035
55 HD23 LEU 9 2HD2 LEU 9 1.820 4.050 -20.488
56 HA PRO 10 HA PRO 10 -2.114 -1.214 -17.034
57 HB3 PRO 10 2HB PRO 10 -2.173 -1.885 -14.838
58 HG3 PRO 10 2HG PRO 10 -1.446 -0.480 -13.134
59 HD3 PRO 10 2HD PRO 10 0.355 -0.333 -14.565
60 H ALA 11 H ALA 11 -2.653 1.937 -15.445
61 HA ALA 11 HA ALA 11 -4.040 3.100 -17.571
62 HB1 ALA 11 1HB ALA 11 -6.195 2.542 -17.369
63 HB2 ALA 11 2HB ALA 11 -5.612 1.170 -16.428
64 HB3 ALA 11 3HB ALA 11 -6.150 2.636 -15.609
65 H ALA 12 H ALA 12 -5.918 4.662 -16.187
66 HA ALA 12 HA ALA 12 -4.167 6.534 -14.908
67 HB1 ALA 12 1HB ALA 12 -5.719 7.802 -15.907
68 HB2 ALA 12 2HB ALA 12 -6.923 6.512 -15.891
69 HB3 ALA 12 3HB ALA 12 -6.674 7.504 -14.454
70 H THR 13 H THR 13 -5.515 3.779 -13.782
71 HA THR 13 HA THR 13 -6.845 3.920 -11.539
72 HB THR 13 HB THR 13 -4.557 2.619 -10.569
73 HG1 THR 13 1HG THR 13 -4.906 1.747 -13.221
74 HG21 THR 13 3HG2 THR 13 -5.876 0.717 -10.680
75 HG22 THR 13 1HG2 THR 13 -6.626 1.200 -12.200
76 HG23 THR 13 2HG2 THR 13 -7.087 1.998 -10.697
77 H GLY 14 H GLY 14 -3.329 4.429 -11.203
78 HA2 GLY 14 2HA GLY 14 -2.234 6.171 -10.089
79 HA3 GLY 14 3HA GLY 14 -3.794 6.789 -9.568
80 H ALA 15 H ALA 15 -4.572 6.247 -7.588
81 HA ALA 15 HA ALA 15 -2.784 5.310 -5.633
82 HB1 ALA 15 1HB ALA 15 -5.142 6.653 -5.579
83 HB2 ALA 15 2HB ALA 15 -5.634 5.068 -4.981
84 HB3 ALA 15 3HB ALA 15 -4.352 5.959 -4.162
85 H LEU 16 H LEU 16 -5.449 3.711 -7.333
86 HA LEU 16 HA LEU 16 -5.419 1.303 -5.895
87 HB3 LEU 16 2HB LEU 16 -6.028 1.040 -8.742
88 HG LEU 16 HG LEU 16 -8.266 0.375 -7.966
89 HD11 LEU 16 1HD1 LEU 16 -5.796 -0.949 -7.483
90 HD12 LEU 16 2HD1 LEU 16 -7.373 -1.647 -7.850
91 HD13 LEU 16 3HD1 LEU 16 -6.912 -1.346 -6.175
92 HD21 LEU 16 3HD2 LEU 16 -7.192 0.723 -5.174
93 HD22 LEU 16 1HD2 LEU 16 -8.822 0.251 -5.657
94 HD23 LEU 16 2HD2 LEU 16 -8.252 1.891 -5.966
95 H GLU 17 H GLU 17 -3.740 2.236 -8.883
96 HA GLU 17 HA GLU 17 -2.424 -0.270 -9.197
97 HB3 GLU 17 2HB GLU 17 -2.867 1.453 -11.010
98 HG3 GLU 17 2HG GLU 17 -0.489 2.749 -9.712
99 H LEU 18 H LEU 18 -1.649 2.728 -7.566
100 HA LEU 18 HA LEU 18 1.094 2.377 -7.189
101 HB3 LEU 18 2HB LEU 18 -0.732 3.594 -5.138
102 HG LEU 18 HG LEU 18 2.124 4.019 -5.860
103 HD11 LEU 18 1HD1 LEU 18 0.293 6.149 -5.886
104 HD12 LEU 18 2HD1 LEU 18 2.054 6.233 -5.869
105 HD13 LEU 18 3HD1 LEU 18 1.157 6.249 -4.352
106 HD21 LEU 18 3HD2 LEU 18 0.927 2.912 -3.733
107 HD22 LEU 18 1HD2 LEU 18 0.999 4.588 -3.189
108 HD23 LEU 18 2HD2 LEU 18 2.480 3.745 -3.644
109 H VAL 19 H VAL 19 -1.591 1.470 -5.027
110 HA VAL 19 HA VAL 19 0.034 0.182 -3.107
111 HB VAL 19 HB VAL 19 -2.886 0.233 -3.696
112 HG11 VAL 19 1HG1 VAL 19 -3.216 -1.393 -1.790
113 HG12 VAL 19 2HG1 VAL 19 -2.662 -2.092 -3.313
114 HG13 VAL 19 3HG1 VAL 19 -1.522 -1.837 -1.992
115 HG21 VAL 19 3HG2 VAL 19 -2.638 1.826 -2.149
116 HG22 VAL 19 1HG2 VAL 19 -2.451 0.513 -0.988
117 HG23 VAL 19 2HG2 VAL 19 -1.026 1.262 -1.708
118 H ARG 20 H ARG 20 -2.027 -1.161 -5.689
119 HA ARG 20 HA ARG 20 -1.444 -3.844 -5.309
120 HB3 ARG 20 2HB ARG 20 -1.849 -3.932 -7.896
121 HG3 ARG 20 2HG ARG 20 -3.858 -3.046 -5.859
122 HD3 ARG 20 2HD ARG 20 -4.439 -2.253 -8.208
123 HE ARG 20 HE ARG 20 -4.128 -5.040 -8.806
124 HH11 ARG 20 1HH1 ARG 20 -5.844 -2.126 -9.633
125 HH12 ARG 20 2HH1 ARG 20 -6.196 -2.636 -11.251
126 HH21 ARG 20 1HH2 ARG 20 -4.585 -5.724 -10.933
127 HH22 ARG 20 2HH2 ARG 20 -5.480 -4.684 -11.989
128 H HIS 21 H HIS 21 0.336 -1.391 -7.112
129 HA HIS 21 HA HIS 21 2.209 -3.141 -8.304
130 HB3 HIS 21 2HB HIS 21 2.576 -0.222 -7.604
131 HD1 HIS 21 1HD HIS 21 3.947 -3.123 -9.549
132 HD2 HIS 21 2HD HIS 21 4.704 0.923 -8.980
133 HE1 HIS 21 1HE HIS 21 6.189 -2.702 -10.609
134 H LEU 22 H LEU 22 2.443 -1.070 -5.415
135 HA LEU 22 HA LEU 22 5.023 -1.863 -4.657
136 HB3 LEU 22 2HB LEU 22 4.324 -1.076 -2.375
137 HG LEU 22 HG LEU 22 3.543 0.879 -4.536
138 HD11 LEU 22 1HD1 LEU 22 2.976 2.065 -2.715
139 HD12 LEU 22 2HD1 LEU 22 4.716 2.302 -2.560
140 HD13 LEU 22 3HD1 LEU 22 3.911 1.042 -1.625
141 HD21 LEU 22 3HD2 LEU 22 6.140 1.381 -3.598
142 HD22 LEU 22 1HD2 LEU 22 5.659 0.828 -5.202
143 HD23 LEU 22 2HD2 LEU 22 6.071 -0.346 -3.952
144 H VAL 23 H VAL 23 1.847 -3.192 -3.872
145 HA VAL 23 HA VAL 23 2.795 -5.099 -1.984
146 HB VAL 23 HB VAL 23 0.236 -5.104 -3.590
147 HG11 VAL 23 1HG1 VAL 23 0.721 -6.538 -0.997
148 HG12 VAL 23 2HG1 VAL 23 -0.596 -6.757 -2.151
149 HG13 VAL 23 3HG1 VAL 23 1.032 -7.301 -2.557
150 HG21 VAL 23 3HG2 VAL 23 -0.779 -3.908 -1.889
151 HG22 VAL 23 1HG2 VAL 23 0.461 -4.334 -0.710
152 HG23 VAL 23 2HG2 VAL 23 0.812 -3.153 -1.971
153 H ALA 24 H ALA 24 1.844 -5.341 -5.403
154 HA ALA 24 HA ALA 24 2.316 -8.078 -5.724
155 HB1 ALA 24 1HB ALA 24 2.676 -7.405 -8.179
156 HB2 ALA 24 2HB ALA 24 1.110 -7.069 -7.440
157 HB3 ALA 24 3HB ALA 24 2.288 -5.771 -7.636
158 H GLU 25 H GLU 25 4.474 -5.309 -6.290
159 HA GLU 25 HA GLU 25 6.683 -6.829 -7.165
160 HB3 GLU 25 2HB GLU 25 8.006 -4.794 -6.700
161 HG3 GLU 25 2HG GLU 25 6.035 -3.200 -7.794
162 H ARG 26 H ARG 26 5.461 -6.042 -4.010
163 HA ARG 26 HA ARG 26 7.872 -6.740 -2.607
164 HB3 ARG 26 2HB ARG 26 6.121 -6.780 -0.638
165 HG3 ARG 26 2HG ARG 26 5.984 -4.091 -1.109
166 HD3 ARG 26 2HD ARG 26 7.169 -5.706 0.688
167 HE ARG 26 HE ARG 26 9.235 -5.485 -1.043
168 HH11 ARG 26 1HH1 ARG 26 8.653 -4.243 2.157
169 HH12 ARG 26 2HH1 ARG 26 10.328 -4.244 2.603
170 HH21 ARG 26 1HH2 ARG 26 11.442 -5.491 -0.468
171 HH22 ARG 26 2HH2 ARG 26 11.913 -4.954 1.109
172 H ALA 27 H ALA 27 5.071 -8.401 -3.773
173 HA ALA 27 HA ALA 27 5.549 -10.743 -2.114
174 HB1 ALA 27 1HB ALA 27 3.608 -11.671 -3.463
175 HB2 ALA 27 2HB ALA 27 3.261 -10.286 -2.426
176 HB3 ALA 27 3HB ALA 27 3.460 -10.060 -4.164
177 H GLU 28 H GLU 28 7.208 -9.592 -4.549
178 HA GLU 28 HA GLU 28 8.623 -10.467 -6.100
179 HB3 GLU 28 2HB GLU 28 7.988 -13.271 -5.320
180 HG3 GLU 28 2HG GLU 28 9.901 -12.534 -6.849
181 H LEU 29 H LEU 29 6.038 -9.893 -6.928
182 HA LEU 29 HA LEU 29 5.804 -11.711 -9.188
183 HB3 LEU 29 2HB LEU 29 4.218 -12.766 -7.866
184 HG LEU 29 HG LEU 29 4.077 -10.568 -6.259
185 HD11 LEU 29 1HD1 LEU 29 2.568 -9.373 -7.695
186 HD12 LEU 29 2HD1 LEU 29 1.693 -9.901 -6.258
187 HD13 LEU 29 3HD1 LEU 29 1.485 -10.762 -7.783
188 HD21 LEU 29 3HD2 LEU 29 2.340 -13.012 -6.463
189 HD22 LEU 29 1HD2 LEU 29 2.203 -11.863 -5.131
190 HD23 LEU 29 2HD2 LEU 29 3.717 -12.727 -5.397
191 HA PRO 30 HA PRO 30 4.950 -8.055 -11.461
192 HB3 PRO 30 2HB PRO 30 4.954 -9.356 -13.355
193 HG3 PRO 30 2HG PRO 30 4.045 -11.495 -13.344
194 HD3 PRO 30 2HD PRO 30 5.397 -11.629 -11.482
195 H VAL 31 H VAL 31 3.533 -6.356 -11.578
196 HA VAL 31 HA VAL 31 1.299 -6.367 -9.822
197 HB VAL 31 HB VAL 31 2.641 -4.346 -10.202
198 HG11 VAL 31 1HG1 VAL 31 2.825 -4.887 -12.728
199 HG12 VAL 31 2HG1 VAL 31 1.315 -3.982 -12.860
200 HG13 VAL 31 3HG1 VAL 31 2.759 -3.201 -12.213
201 HG21 VAL 31 3HG2 VAL 31 0.898 -2.973 -9.786
202 HG22 VAL 31 1HG2 VAL 31 0.020 -3.477 -11.231
203 HG23 VAL 31 2HG2 VAL 31 -0.021 -4.478 -9.780
204 H GLU 32 H GLU 32 1.660 -7.365 -13.018
205 HA GLU 32 HA GLU 32 -0.994 -6.685 -13.918
206 HB3 GLU 32 2HB GLU 32 1.049 -6.944 -15.407
207 HG3 GLU 32 2HG GLU 32 1.139 -9.511 -14.316
208 H VAL 33 H VAL 33 0.477 -9.243 -12.166
209 HA VAL 33 HA VAL 33 -1.819 -11.014 -12.630
210 HB VAL 33 HB VAL 33 0.644 -11.807 -12.796
211 HG11 VAL 33 1HG1 VAL 33 0.487 -12.448 -9.923
212 HG12 VAL 33 2HG1 VAL 33 1.888 -12.081 -10.931
213 HG13 VAL 33 3HG1 VAL 33 0.872 -10.774 -10.322
214 HG21 VAL 33 3HG2 VAL 33 -0.648 -13.712 -11.023
215 HG22 VAL 33 1HG2 VAL 33 -1.746 -13.074 -12.246
216 HG23 VAL 33 2HG2 VAL 33 -0.242 -13.856 -12.733
217 H LEU 34 H LEU 34 -0.943 -8.622 -10.572
218 HA LEU 34 HA LEU 34 -1.555 -9.735 -8.034
219 HB3 LEU 34 2HB LEU 34 -1.961 -6.847 -8.704
220 HG LEU 34 HG LEU 34 -0.613 -6.551 -6.561
221 HD11 LEU 34 1HD1 LEU 34 -2.562 -6.206 -5.519
222 HD12 LEU 34 2HD1 LEU 34 -3.081 -7.878 -5.726
223 HD13 LEU 34 3HD1 LEU 34 -3.294 -6.720 -7.039
224 HD21 LEU 34 3HD2 LEU 34 -0.144 -8.299 -5.198
225 HD22 LEU 34 1HD2 LEU 34 -0.105 -9.168 -6.731
226 HD23 LEU 34 2HD2 LEU 34 -1.549 -9.229 -5.720
227 H ARG 35 H ARG 35 -3.462 -10.440 -7.371
228 HA ARG 35 HA ARG 35 -5.890 -9.605 -8.726
229 HB3 ARG 35 2HB ARG 35 -6.976 -11.390 -7.554
230 HG3 ARG 35 2HG ARG 35 -4.306 -12.644 -7.941
231 HD3 ARG 35 2HD ARG 35 -6.543 -13.682 -9.439
232 HE ARG 35 HE ARG 35 -4.400 -14.765 -8.138
233 HH11 ARG 35 1HH1 ARG 35 -7.832 -15.346 -8.150
234 HH12 ARG 35 2HH1 ARG 35 -7.680 -17.035 -7.794
235 HH21 ARG 35 1HH2 ARG 35 -4.186 -16.987 -7.670
236 HH22 ARG 35 2HH2 ARG 35 -5.605 -17.967 -7.521
237 H ASP 36 H ASP 36 -7.751 -8.811 -7.608
238 HA ASP 36 HA ASP 36 -7.100 -6.823 -5.651
239 HB3 ASP 36 2HB ASP 36 -9.466 -6.214 -5.782
240 H ASP 37 H ASP 37 -7.999 -10.085 -5.502
241 HA ASP 37 HA ASP 37 -9.098 -9.832 -2.798
242 HB3 ASP 37 2HB ASP 37 -9.906 -12.054 -3.027
243 H SER 38 H SER 38 -6.187 -9.600 -3.737
244 HA SER 38 HA SER 38 -4.910 -11.828 -2.398
245 HB3 SER 38 2HB SER 38 -4.136 -9.930 -4.355
246 HG SER 38 HG SER 38 -2.243 -9.120 -3.491
247 H ARG 39 H ARG 39 -4.627 -11.897 -0.280
248 HA ARG 39 HA ARG 39 -4.761 -9.427 1.274
249 HB3 ARG 39 2HB ARG 39 -5.216 -10.774 3.166
250 HG3 ARG 39 2HG ARG 39 -6.493 -12.524 1.120
251 HD3 ARG 39 2HD ARG 39 -6.929 -11.742 3.866
252 HE ARG 39 HE ARG 39 -8.914 -10.769 2.079
253 HH11 ARG 39 1HH1 ARG 39 -8.476 -12.391 5.128
254 HH12 ARG 39 2HH1 ARG 39 -9.979 -11.836 5.787
255 HH21 ARG 39 1HH2 ARG 39 -10.895 -10.033 2.936
256 HH22 ARG 39 2HH2 ARG 39 -11.355 -10.496 4.539
257 H PHE 40 H PHE 40 -3.147 -8.734 2.646
258 HA PHE 40 HA PHE 40 -0.478 -9.600 1.952
259 HB3 PHE 40 2HB PHE 40 0.235 -7.589 2.759
260 HD1 PHE 40 1HD PHE 40 -0.558 -6.829 0.553
261 HD2 PHE 40 2HD PHE 40 -3.014 -6.614 4.023
262 HE1 PHE 40 1HE PHE 40 -2.042 -5.242 -0.600
263 HE2 PHE 40 2HE PHE 40 -4.502 -5.027 2.876
264 HZ PHE 40 HZ PHE 40 -4.019 -4.340 0.561
265 H LEU 41 H LEU 41 -1.455 -11.756 3.042
266 HA LEU 41 HA LEU 41 0.200 -12.338 5.209
267 HB3 LEU 41 2HB LEU 41 -2.471 -12.573 6.346
268 HG LEU 41 HG LEU 41 -1.535 -12.030 8.361
269 HD11 LEU 41 1HD1 LEU 41 -0.190 -13.834 6.960
270 HD12 LEU 41 2HD1 LEU 41 0.299 -13.353 8.584
271 HD13 LEU 41 3HD1 LEU 41 1.110 -12.662 7.180
272 HD21 LEU 41 3HD2 LEU 41 0.865 -10.612 7.398
273 HD22 LEU 41 1HD2 LEU 41 -0.184 -10.272 8.775
274 HD23 LEU 41 2HD2 LEU 41 -0.675 -9.787 7.151
275 H ASP 42 H ASP 42 -2.905 -13.071 3.684
276 HA ASP 42 HA ASP 42 -2.739 -15.880 4.274
277 HB3 ASP 42 2HB ASP 42 -4.532 -14.580 2.226
278 H ASP 43 H ASP 43 -2.820 -14.122 1.170
279 HA ASP 43 HA ASP 43 -1.483 -16.360 -0.124
280 HB3 ASP 43 2HB ASP 43 -1.792 -14.314 -2.000
281 H LEU 44 H LEU 44 -1.004 -12.822 -0.154
282 HA LEU 44 HA LEU 44 1.548 -12.799 -1.214
283 HB3 LEU 44 2HB LEU 44 1.770 -10.585 -0.378
284 HG LEU 44 HG LEU 44 -1.161 -11.107 -0.861
285 HD11 LEU 44 1HD1 LEU 44 -0.983 -8.556 -1.445
286 HD12 LEU 44 2HD1 LEU 44 0.335 -8.598 -0.275
287 HD13 LEU 44 3HD1 LEU 44 -1.289 -9.085 0.209
288 HD21 LEU 44 3HD2 LEU 44 -0.561 -11.242 -2.992
289 HD22 LEU 44 1HD2 LEU 44 1.128 -10.982 -2.559
290 HD23 LEU 44 2HD2 LEU 44 0.084 -9.603 -2.903
291 H HIS 45 H HIS 45 0.516 -13.673 1.965
292 HA HIS 45 HA HIS 45 1.619 -14.487 3.781
293 HB3 HIS 45 2HB HIS 45 4.177 -14.764 2.277
294 HD1 HIS 45 1HD HIS 45 3.000 -15.166 5.368
295 HD2 HIS 45 2HD HIS 45 4.212 -18.021 2.604
296 HE1 HIS 45 1HE HIS 45 3.601 -17.199 6.722
297 H MET 46 H MET 46 1.910 -11.594 2.803
298 HA MET 46 HA MET 46 4.436 -10.703 3.803
299 HB3 MET 46 2HB MET 46 3.666 -8.505 3.368
300 HG3 MET 46 2HG MET 46 1.944 -9.241 1.281
301 HE1 MET 46 3HE MET 46 2.098 -7.480 0.063
302 HE2 MET 46 1HE MET 46 3.500 -6.613 -0.566
303 HE3 MET 46 2HE MET 46 3.012 -8.145 -1.292
304 H SER 47 H SER 47 4.818 -11.190 5.900
305 HA SER 47 HA SER 47 3.000 -11.327 7.980
306 HB3 SER 47 2HB SER 47 4.892 -11.186 9.484
307 HG SER 47 HG SER 47 4.939 -13.093 8.382
308 H SER 48 H SER 48 2.713 -9.886 9.829
309 HA SER 48 HA SER 48 1.663 -7.441 9.206
310 HB3 SER 48 2HB SER 48 1.110 -8.220 11.336
311 HG SER 48 HG SER 48 2.461 -9.449 12.350
312 H ILE 49 H ILE 49 5.000 -8.193 10.029
313 HA ILE 49 HA ILE 49 5.857 -5.467 10.148
314 HB ILE 49 HB ILE 49 7.495 -7.980 9.783
315 HG13 ILE 49 2HG1 ILE 49 6.352 -6.584 12.151
316 HG21 ILE 49 1HG2 ILE 49 8.772 -5.695 11.052
317 HG22 ILE 49 2HG2 ILE 49 9.348 -6.736 9.751
318 HG23 ILE 49 3HG2 ILE 49 8.289 -5.374 9.386
319 HD11 ILE 49 3HD1 ILE 49 7.040 -9.165 12.833
320 HD12 ILE 49 1HD1 ILE 49 5.443 -8.595 12.349
321 HD13 ILE 49 2HD1 ILE 49 6.533 -9.290 11.148
322 H THR 50 H THR 50 5.930 -8.006 7.688
323 HA THR 50 HA THR 50 7.456 -6.599 5.780
324 HB THR 50 HB THR 50 5.401 -8.778 5.362
325 HG1 THR 50 1HG THR 50 8.166 -8.738 5.918
326 HG21 THR 50 3HG2 THR 50 5.994 -7.326 3.346
327 HG22 THR 50 1HG2 THR 50 6.226 -9.065 3.174
328 HG23 THR 50 2HG2 THR 50 7.612 -8.015 3.470
329 H VAL 51 H VAL 51 3.970 -6.807 6.349
330 HA VAL 51 HA VAL 51 3.085 -5.444 4.079
331 HB VAL 51 HB VAL 51 1.755 -5.159 6.762
332 HG11 VAL 51 1HG1 VAL 51 0.870 -5.125 3.900
333 HG12 VAL 51 2HG1 VAL 51 -0.271 -5.477 5.199
334 HG13 VAL 51 3HG1 VAL 51 0.584 -3.933 5.168
335 HG21 VAL 51 3HG2 VAL 51 0.691 -7.400 5.425
336 HG22 VAL 51 1HG2 VAL 51 2.442 -7.605 5.451
337 HG23 VAL 51 2HG2 VAL 51 1.561 -7.363 6.959
338 H GLY 52 H GLY 52 3.860 -4.169 7.316
339 HA2 GLY 52 2HA GLY 52 3.285 -1.482 6.802
340 HA3 GLY 52 3HA GLY 52 4.421 -2.057 8.013
341 H GLN 53 H GLN 53 6.161 -3.367 6.086
342 HA GLN 53 HA GLN 53 7.941 -1.278 5.568
343 HB3 GLN 53 2HB GLN 53 9.224 -2.892 4.280
344 HG3 GLN 53 2HG GLN 53 8.598 -4.986 5.964
345 HE21 GLN 53 1HE2 GLN 53 10.449 -5.605 6.871
346 HE22 GLN 53 2HE2 GLN 53 11.854 -4.615 7.044
347 H LEU 54 H LEU 54 5.690 -2.952 3.394
348 HA LEU 54 HA LEU 54 6.389 -1.268 1.161
349 HB3 LEU 54 2HB LEU 54 5.539 -3.731 1.178
350 HG LEU 54 HG LEU 54 3.234 -2.834 2.191
351 HD11 LEU 54 1HD1 LEU 54 2.942 -1.380 0.137
352 HD12 LEU 54 2HD1 LEU 54 1.584 -2.423 0.561
353 HD13 LEU 54 3HD1 LEU 54 2.662 -2.873 -0.760
354 HD21 LEU 54 3HD2 LEU 54 2.416 -4.840 0.421
355 HD22 LEU 54 1HD2 LEU 54 2.985 -5.038 2.079
356 HD23 LEU 54 2HD2 LEU 54 4.124 -5.151 0.737
357 H VAL 55 H VAL 55 3.865 -1.424 3.581
358 HA VAL 55 HA VAL 55 1.994 0.299 2.415
359 HB VAL 55 HB VAL 55 2.625 -0.358 5.279
360 HG11 VAL 55 1HG1 VAL 55 0.944 1.827 4.227
361 HG12 VAL 55 2HG1 VAL 55 0.227 0.833 5.496
362 HG13 VAL 55 3HG1 VAL 55 1.755 1.665 5.784
363 HG21 VAL 55 3HG2 VAL 55 0.538 -1.548 5.203
364 HG22 VAL 55 1HG2 VAL 55 0.177 -0.899 3.603
365 HG23 VAL 55 2HG2 VAL 55 1.511 -2.033 3.814
366 H ASN 56 H ASN 56 4.912 0.954 4.262
367 HA ASN 56 HA ASN 56 4.455 3.715 4.677
368 HB3 ASN 56 2HB ASN 56 7.189 3.482 4.637
369 HD21 ASN 56 1HD2 ASN 56 6.096 1.348 7.012
370 HD22 ASN 56 2HD2 ASN 56 5.878 2.492 8.288
371 H GLU 57 H GLU 57 5.850 1.879 2.038
372 HA GLU 57 HA GLU 57 6.990 4.088 0.663
373 HB3 GLU 57 2HB GLU 57 6.058 1.518 -0.606
374 HG3 GLU 57 2HG GLU 57 6.947 3.227 -2.131
375 H ALA 58 H ALA 58 3.841 2.531 0.603
376 HA ALA 58 HA ALA 58 2.861 3.887 -1.695
377 HB1 ALA 58 1HB ALA 58 1.699 2.192 0.438
378 HB2 ALA 58 2HB ALA 58 0.596 3.235 -0.460
379 HB3 ALA 58 3HB ALA 58 1.582 2.049 -1.316
380 H ALA 59 H ALA 59 2.258 4.374 1.787
381 HA ALA 59 HA ALA 59 0.617 6.570 1.682
382 HB1 ALA 59 1HB ALA 59 2.415 5.400 3.652
383 HB2 ALA 59 2HB ALA 59 2.210 7.141 3.848
384 HB3 ALA 59 3HB ALA 59 0.800 6.081 3.853
385 H ARG 60 H ARG 60 4.163 6.527 1.569
386 HA ARG 60 HA ARG 60 4.584 9.290 1.581
387 HB3 ARG 60 2HB ARG 60 6.207 7.093 0.289
388 HG3 ARG 60 2HG ARG 60 7.966 9.050 1.058
389 HD3 ARG 60 2HD ARG 60 7.489 9.499 -1.654
390 HE ARG 60 HE ARG 60 9.525 8.360 -0.161
391 HH11 ARG 60 1HH1 ARG 60 8.063 7.909 -3.289
392 HH12 ARG 60 2HH1 ARG 60 9.516 7.318 -4.027
393 HH21 ARG 60 1HH2 ARG 60 11.443 7.584 -1.122
394 HH22 ARG 60 2HH2 ARG 60 11.437 7.133 -2.793
395 H ALA 61 H ALA 61 3.972 7.059 -1.091
396 HA ALA 61 HA ALA 61 4.338 8.975 -3.156
397 HB1 ALA 61 1HB ALA 61 3.266 7.315 -4.608
398 HB2 ALA 61 2HB ALA 61 4.516 6.591 -3.594
399 HB3 ALA 61 3HB ALA 61 2.815 6.373 -3.185
400 H MET 62 H MET 62 1.536 7.853 -1.328
401 HA MET 62 HA MET 62 -0.388 9.270 -2.880
402 HB3 MET 62 2HB MET 62 -1.946 8.735 -1.075
403 HG3 MET 62 2HG MET 62 -1.856 6.371 -1.069
404 HE1 MET 62 3HE MET 62 -3.224 8.102 -2.567
405 HE2 MET 62 1HE MET 62 -2.261 8.995 -3.745
406 HE3 MET 62 2HE MET 62 -3.372 7.737 -4.287
407 H GLY 63 H GLY 63 1.779 10.152 -0.354
408 HA2 GLY 63 2HA GLY 63 2.208 12.557 -0.135
409 HA3 GLY 63 3HA GLY 63 0.469 12.796 -0.204
410 H LEU 64 H LEU 64 0.512 10.177 1.559
411 HA LEU 64 HA LEU 64 -0.023 11.462 3.997
412 HB3 LEU 64 2HB LEU 64 -0.304 9.325 4.924
413 HG LEU 64 HG LEU 64 -0.765 8.703 2.013
414 HD11 LEU 64 1HD1 LEU 64 -2.250 7.822 4.481
415 HD12 LEU 64 2HD1 LEU 64 -0.997 6.872 3.681
416 HD13 LEU 64 3HD1 LEU 64 -2.491 7.258 2.827
417 HD21 LEU 64 3HD2 LEU 64 -2.260 10.336 1.898
418 HD22 LEU 64 1HD2 LEU 64 -1.852 10.843 3.537
419 HD23 LEU 64 2HD2 LEU 64 -3.119 9.644 3.276
420 H SER 65 H SER 65 1.283 9.973 5.944
421 HA SER 65 HA SER 65 4.111 10.039 5.669
422 HB3 SER 65 2HB SER 65 3.040 12.194 7.484
423 HG SER 65 HG SER 65 5.362 12.833 6.595
424 H ALA 66 H ALA 66 1.823 10.821 8.295
425 HA ALA 66 HA ALA 66 3.086 8.798 9.971
426 HB1 ALA 66 1HB ALA 66 1.310 9.779 11.635
427 HB2 ALA 66 2HB ALA 66 2.780 10.675 11.251
428 HB3 ALA 66 3HB ALA 66 1.259 11.099 10.465
429 H VAL 67 H VAL 67 0.508 9.009 7.835
430 HA VAL 67 HA VAL 67 -1.452 7.438 9.124
431 HB VAL 67 HB VAL 67 -0.970 7.565 6.148
432 HG11 VAL 67 1HG1 VAL 67 -2.891 6.240 7.741
433 HG12 VAL 67 2HG1 VAL 67 -3.713 7.571 6.922
434 HG13 VAL 67 3HG1 VAL 67 -2.830 6.367 5.984
435 HG21 VAL 67 3HG2 VAL 67 -1.023 9.827 6.861
436 HG22 VAL 67 1HG2 VAL 67 -2.630 9.462 6.233
437 HG23 VAL 67 2HG2 VAL 67 -2.356 9.517 7.975
438 H ALA 68 H ALA 68 1.618 6.620 8.072
439 HA ALA 68 HA ALA 68 1.706 4.271 6.847
440 HB1 ALA 68 1HB ALA 68 3.080 4.517 9.507
441 HB2 ALA 68 2HB ALA 68 3.637 3.686 8.054
442 HB3 ALA 68 3HB ALA 68 3.581 5.449 8.096
443 H MET 69 H MET 69 0.263 2.667 6.879
444 HA MET 69 HA MET 69 -0.933 0.874 7.612
445 HB3 MET 69 2HB MET 69 -0.290 -0.252 9.593
446 HG3 MET 69 2HG MET 69 2.289 1.149 9.208
447 HE1 MET 69 3HE MET 69 0.273 -1.796 8.332
448 HE2 MET 69 1HE MET 69 1.528 -3.023 8.164
449 HE3 MET 69 2HE MET 69 0.592 -2.918 9.654
450 HA PRO 70 HA PRO 70 -3.998 3.764 9.439
451 HB3 PRO 70 2HB PRO 70 -4.839 4.187 7.343
452 HG3 PRO 70 2HG PRO 70 -4.566 2.660 5.611
453 HD3 PRO 70 2HD PRO 70 -2.392 2.797 6.364
454 H THR 71 H THR 71 -4.607 0.402 8.421
455 HA THR 71 HA THR 71 -5.569 -0.227 11.093
456 HB THR 71 HB THR 71 -7.584 0.518 9.803
457 HG1 THR 71 1HG THR 71 -8.799 -1.133 10.632
458 HG21 THR 71 3HG2 THR 71 -6.462 -1.048 7.778
459 HG22 THR 71 1HG2 THR 71 -8.039 -0.260 7.762
460 HG23 THR 71 2HG2 THR 71 -7.893 -1.931 8.306
461 H ASN 72 H ASN 72 -6.324 -2.680 11.033
462 HA ASN 72 HA ASN 72 -4.099 -4.246 10.626
463 HB3 ASN 72 2HB ASN 72 -6.884 -5.364 10.364
464 HD21 ASN 72 1HD2 ASN 72 -6.991 -7.300 11.894
465 HD22 ASN 72 2HD2 ASN 72 -5.634 -8.369 11.848
466 H PHE 73 H PHE 73 -3.323 -5.546 9.009
467 HA PHE 73 HA PHE 73 -4.655 -5.309 6.390
468 HB3 PHE 73 2HB PHE 73 -2.207 -5.646 5.533
469 HD1 PHE 73 2HD PHE 73 -4.278 -4.076 4.574
470 HD2 PHE 73 1HD PHE 73 -1.143 -2.889 7.196
471 HE1 PHE 73 2HE PHE 73 -4.549 -1.745 3.837
472 HE2 PHE 73 1HE PHE 73 -1.410 -0.554 6.464
473 HZ PHE 73 HZ PHE 73 -3.114 0.019 4.781
474 H ALA 74 H ALA 74 -3.350 -7.370 8.778
475 HA ALA 74 HA ALA 74 -2.603 -9.622 7.324
476 HB1 ALA 74 1HB ALA 74 -4.012 -9.718 9.982
477 HB2 ALA 74 2HB ALA 74 -2.829 -10.856 9.334
478 HB3 ALA 74 3HB ALA 74 -2.327 -9.230 9.801
479 H THR 75 H THR 75 -5.704 -8.243 7.779
480 HA THR 75 HA THR 75 -6.947 -10.637 6.587
481 HB THR 75 HB THR 75 -7.753 -10.397 8.868
482 HG1 THR 75 1HG THR 75 -9.816 -9.426 7.176
483 HG21 THR 75 3HG2 THR 75 -7.451 -7.696 8.486
484 HG22 THR 75 1HG2 THR 75 -8.279 -8.447 9.849
485 HG23 THR 75 2HG2 THR 75 -9.203 -7.892 8.453
486 H ALA 76 H ALA 76 -5.880 -7.772 5.754
487 HA ALA 76 HA ALA 76 -8.256 -6.980 4.211
488 HB1 ALA 76 1HB ALA 76 -7.357 -4.801 4.047
489 HB2 ALA 76 2HB ALA 76 -7.130 -5.299 5.724
490 HB3 ALA 76 3HB ALA 76 -5.770 -5.334 4.603
491 H THR 77 H THR 77 -8.023 -6.451 1.980
492 HA THR 77 HA THR 77 -5.873 -7.975 0.680
493 HB THR 77 HB THR 77 -7.274 -8.209 -1.232
494 HG1 THR 77 1HG THR 77 -8.849 -6.211 0.025
495 HG21 THR 77 3HG2 THR 77 -8.034 -9.142 1.293
496 HG22 THR 77 1HG2 THR 77 -8.512 -9.798 -0.272
497 HG23 THR 77 2HG2 THR 77 -9.526 -8.597 0.528
498 H VAL 78 H VAL 78 -5.301 -7.089 -1.569
499 HA VAL 78 HA VAL 78 -3.955 -4.692 -1.330
500 HB VAL 78 HB VAL 78 -3.719 -4.690 -3.761
501 HG11 VAL 78 1HG1 VAL 78 -3.313 -7.432 -3.751
502 HG12 VAL 78 2HG1 VAL 78 -2.153 -6.195 -3.260
503 HG13 VAL 78 3HG1 VAL 78 -3.182 -6.969 -2.054
504 HG21 VAL 78 3HG2 VAL 78 -5.955 -5.223 -4.449
505 HG22 VAL 78 1HG2 VAL 78 -4.868 -6.454 -5.093
506 HG23 VAL 78 2HG2 VAL 78 -5.864 -6.808 -3.681
507 H ARG 79 H ARG 79 -7.230 -5.284 -2.478
508 HA ARG 79 HA ARG 79 -7.728 -2.694 -3.488
509 HB3 ARG 79 2HB ARG 79 -9.603 -4.819 -2.446
510 HG3 ARG 79 2HG ARG 79 -11.123 -3.452 -4.171
511 HD3 ARG 79 2HD ARG 79 -10.772 -3.115 -1.211
512 HE ARG 79 HE ARG 79 -12.248 -1.329 -2.784
513 HH11 ARG 79 1HH1 ARG 79 -12.649 -3.379 0.001
514 HH12 ARG 79 2HH1 ARG 79 -13.872 -2.385 0.719
515 HH21 ARG 79 1HH2 ARG 79 -13.857 -0.012 -1.848
516 HH22 ARG 79 2HH2 ARG 79 -14.559 -0.470 -0.334
517 H GLU 80 H GLU 80 -8.167 -4.147 -0.299
518 HA GLU 80 HA GLU 80 -9.560 -1.994 0.875
519 HB3 GLU 80 2HB GLU 80 -8.717 -2.997 3.043
520 HG3 GLU 80 2HG GLU 80 -9.985 -4.881 1.069
521 H MET 81 H MET 81 -6.105 -2.843 0.903
522 HA MET 81 HA MET 81 -5.251 -0.643 2.431
523 HB3 MET 81 2HB MET 81 -3.742 -2.248 0.360
524 HG3 MET 81 2HG MET 81 -2.504 -0.806 2.669
525 HE1 MET 81 3HE MET 81 -1.037 -2.516 3.255
526 HE2 MET 81 1HE MET 81 -1.385 -3.821 2.121
527 HE3 MET 81 2HE MET 81 0.264 -3.220 2.295
528 H ALA 82 H ALA 82 -5.711 -1.068 -1.037
529 HA ALA 82 HA ALA 82 -4.545 1.419 -1.788
530 HB1 ALA 82 1HB ALA 82 -5.258 0.945 -3.967
531 HB2 ALA 82 2HB ALA 82 -4.933 -0.636 -3.254
532 HB3 ALA 82 3HB ALA 82 -6.595 -0.061 -3.406
533 H GLU 83 H GLU 83 -7.920 0.334 -1.438
534 HA GLU 83 HA GLU 83 -9.148 2.752 -2.098
535 HB3 GLU 83 2HB GLU 83 -10.911 1.722 -0.329
536 HG3 GLU 83 2HG GLU 83 -11.919 0.456 -2.097
537 H ALA 84 H ALA 84 -7.818 1.603 0.945
538 HA ALA 84 HA ALA 84 -8.866 3.687 2.565
539 HB1 ALA 84 1HB ALA 84 -8.184 2.178 4.054
540 HB2 ALA 84 2HB ALA 84 -7.086 1.421 2.899
541 HB3 ALA 84 3HB ALA 84 -6.560 2.827 3.824
542 H LEU 85 H LEU 85 -5.874 3.277 0.745
543 HA LEU 85 HA LEU 85 -4.623 5.632 1.760
544 HB3 LEU 85 2HB LEU 85 -3.367 5.194 -0.597
545 HG LEU 85 HG LEU 85 -2.933 3.887 2.055
546 HD11 LEU 85 1HD1 LEU 85 -2.382 2.151 0.444
547 HD12 LEU 85 2HD1 LEU 85 -0.920 2.803 1.184
548 HD13 LEU 85 3HD1 LEU 85 -1.370 3.284 -0.452
549 HD21 LEU 85 3HD2 LEU 85 -2.241 6.300 1.122
550 HD22 LEU 85 1HD2 LEU 85 -0.845 5.369 0.580
551 HD23 LEU 85 2HD2 LEU 85 -1.270 5.404 2.290
552 H GLU 86 H GLU 86 -6.347 4.852 -1.245
553 HA GLU 86 HA GLU 86 -6.055 7.367 -2.465
554 HB3 GLU 86 2HB GLU 86 -6.907 5.106 -3.433
555 HG3 GLU 86 2HG GLU 86 -9.505 6.373 -2.596
556 H ALA 87 H ALA 87 -8.359 6.146 -0.125
557 HA ALA 87 HA ALA 87 -10.265 8.215 -0.327
558 HB1 ALA 87 1HB ALA 87 -10.759 7.478 2.113
559 HB2 ALA 87 2HB ALA 87 -11.047 6.347 0.789
560 HB3 ALA 87 3HB ALA 87 -9.592 6.199 1.775
561 H ARG 88 H ARG 88 -7.267 7.906 1.474
562 HA ARG 88 HA ARG 88 -7.622 10.101 3.204
563 HB3 ARG 88 2HB ARG 88 -5.333 9.888 3.729
564 HG3 ARG 88 2HG ARG 88 -5.257 7.150 2.881
565 HD3 ARG 88 2HD ARG 88 -4.202 7.855 4.898
566 HE ARG 88 HE ARG 88 -5.239 9.532 6.044
567 HH11 ARG 88 1HH1 ARG 88 -7.589 7.074 5.296
568 HH12 ARG 88 2HH1 ARG 88 -8.857 7.824 6.210
569 HH21 ARG 88 1HH2 ARG 88 -6.900 10.529 7.250
570 HH22 ARG 88 2HH2 ARG 88 -8.463 9.788 7.319
571 H GLU 89 H GLU 89 -5.702 9.876 0.202
572 HA GLU 89 HA GLU 89 -5.108 12.612 0.035
573 HB3 GLU 89 2HB GLU 89 -3.824 11.032 -1.238
574 HG3 GLU 89 2HG GLU 89 -5.870 9.514 -1.676
575 H ARG 90 H ARG 90 -7.880 10.759 -1.011
576 HA ARG 90 HA ARG 90 -9.015 12.637 -2.769
577 HB3 ARG 90 2HB ARG 90 -10.272 10.485 -1.066
578 HG3 ARG 90 2HG ARG 90 -11.561 11.924 -3.373
579 HD3 ARG 90 2HD ARG 90 -12.212 9.545 -1.742
580 HE ARG 90 HE ARG 90 -14.062 11.645 -1.775
581 HH11 ARG 90 1HH1 ARG 90 -13.875 8.251 -2.527
582 HH12 ARG 90 2HH1 ARG 90 -15.546 7.950 -2.185
583 HH21 ARG 90 1HH2 ARG 90 -16.265 11.261 -1.323
584 HH22 ARG 90 2HH2 ARG 90 -16.905 9.663 -1.500
585 H GLU 91 H GLU 91 -8.861 12.499 0.682
586 HA GLU 91 HA GLU 91 -10.866 14.628 0.929
587 HB3 GLU 91 2HB GLU 91 -10.035 13.978 3.491
588 HG3 GLU 91 2HG GLU 91 -12.346 13.019 1.845
589 H ALA 92 H ALA 92 -7.484 14.000 1.097
590 HA ALA 92 HA ALA 92 -6.532 15.962 2.783
591 HB1 ALA 92 1HB ALA 92 -4.792 14.727 2.049
592 HB2 ALA 92 2HB ALA 92 -5.468 14.538 0.430
593 HB3 ALA 92 3HB ALA 92 -4.645 16.033 0.873
594 HA PRO 93 HA PRO 93 -7.332 19.889 0.998
595 HB3 PRO 93 2HB PRO 93 -6.172 20.818 2.751
596 HG3 PRO 93 2HG PRO 93 -4.255 19.803 3.592
597 HD3 PRO 93 2HD PRO 93 -5.688 17.999 3.585
598 H HIS 94 H HIS 94 -7.483 20.322 -1.103
599 HA HIS 94 HA HIS 94 -5.068 20.537 -2.713
600 HB3 HIS 94 2HB HIS 94 -5.877 18.186 -2.974
601 HD1 HIS 94 1HD HIS 94 -8.422 18.361 -1.757
602 HD2 HIS 94 2HD HIS 94 -8.127 18.742 -5.884
603 HE1 HIS 94 1HE HIS 94 -10.722 17.863 -2.644
604 H LEU 95 H LEU 95 -6.128 20.940 -5.175
605 HA LEU 95 HA LEU 95 -6.994 23.572 -5.117
606 HB3 LEU 95 2HB LEU 95 -8.024 22.451 -7.478
607 HG LEU 95 HG LEU 95 -5.260 23.597 -7.083
608 HD11 LEU 95 1HD1 LEU 95 -5.359 24.066 -9.472
609 HD12 LEU 95 2HD1 LEU 95 -6.928 23.269 -9.573
610 HD13 LEU 95 3HD1 LEU 95 -5.490 22.335 -9.160
611 HD21 LEU 95 3HD2 LEU 95 -6.918 25.175 -6.342
612 HD22 LEU 95 1HD2 LEU 95 -7.882 24.904 -7.794
613 HD23 LEU 95 2HD2 LEU 95 -6.305 25.685 -7.917
614 H GLU 96 H GLU 96 -9.078 24.417 -6.019
615 HA GLU 96 HA GLU 96 -11.218 23.803 -4.389
616 HB3 GLU 96 2HB GLU 96 -12.268 24.760 -6.856
617 HG3 GLU 96 2HG GLU 96 -13.010 25.492 -4.639
618 H HIS 97 H HIS 97 -12.639 22.196 -4.305
619 HA HIS 97 HA HIS 97 -13.799 20.956 -6.557
620 HB3 HIS 97 2HB HIS 97 -12.339 18.802 -5.239
621 HD1 HIS 97 1HD HIS 97 -12.987 16.952 -6.729
622 HD2 HIS 97 2HD HIS 97 -12.256 20.447 -8.854
623 HE1 HIS 97 1HE HIS 97 -13.317 16.349 -9.148
624 H HIS 98 H HIS 98 -12.748 20.025 -3.275
625 HA HIS 98 HA HIS 98 -15.540 19.879 -2.450
626 HB3 HIS 98 2HB HIS 98 -14.270 17.589 -1.334
627 HD1 HIS 98 1HD HIS 98 -16.406 18.106 -4.452
628 HD2 HIS 98 2HD HIS 98 -16.575 16.356 -0.688
629 HE1 HIS 98 1HE HIS 98 -18.669 17.019 -4.317
630 H HIS 99 H HIS 99 -15.426 18.988 0.022
631 HA HIS 99 HA HIS 99 -13.155 19.989 1.480
632 HB3 HIS 99 2HB HIS 99 -14.299 22.093 1.038
633 HD1 HIS 99 1HD HIS 99 -16.478 21.996 -0.366
634 HD2 HIS 99 2HD HIS 99 -17.007 21.188 3.676
635 HE1 HIS 99 1HE HIS 99 -18.960 22.116 0.026
636 H HIS 100 H HIS 100 -13.032 19.146 3.517
637 HA HIS 100 HA HIS 100 -15.163 18.233 5.074
638 HB3 HIS 100 2HB HIS 100 -13.905 15.733 4.307
639 HD1 HIS 100 1HD HIS 100 -15.405 14.612 5.990
640 HD2 HIS 100 2HD HIS 100 -17.507 16.918 3.248
641 HE1 HIS 100 1HE HIS 100 -17.831 14.080 6.383
642 H HIS 101 H HIS 101 -14.443 18.006 7.100
643 HA HIS 101 HA HIS 101 -11.573 18.051 7.553
644 HB3 HIS 101 2HB HIS 101 -13.518 18.024 9.812
645 HD1 HIS 101 1HD HIS 101 -11.508 17.682 11.367
646 HD2 HIS 101 2HD HIS 101 -11.172 21.014 8.907
647 HE1 HIS 101 1HE HIS 101 -9.568 18.998 12.279
648 H HIS 102 H HIS 102 -14.275 16.250 9.037
649 HA HIS 102 HA HIS 102 -12.817 13.763 8.780
650 HB3 HIS 102 2HB HIS 102 -13.664 14.548 11.557
651 HD1 HIS 102 1HD HIS 102 -10.420 13.400 11.863
652 HD2 HIS 102 2HD HIS 102 -13.979 11.498 10.875
653 HE1 HIS 102 1HE HIS 102 -10.040 10.963 12.356
Start of MODEL 10
1 H1 MET 1 H MET 1 12.532 -6.538 -12.776
2 HA MET 1 HA MET 1 9.689 -6.992 -12.939
3 HB3 MET 1 2HB MET 1 9.196 -6.478 -10.615
4 HG3 MET 1 2HG MET 1 10.387 -8.411 -9.449
5 HE1 MET 1 3HE MET 1 9.920 -11.253 -10.545
6 HE2 MET 1 1HE MET 1 9.158 -10.586 -9.100
7 HE3 MET 1 2HE MET 1 8.177 -11.410 -10.313
8 H ALA 2 H ALA 2 9.062 -5.239 -14.006
9 HA ALA 2 HA ALA 2 9.265 -2.644 -12.932
10 HB1 ALA 2 1HB ALA 2 10.995 -1.650 -13.985
11 HB2 ALA 2 2HB ALA 2 11.631 -3.294 -14.032
12 HB3 ALA 2 3HB ALA 2 10.810 -2.625 -15.444
13 H ARG 3 H ARG 3 9.012 -1.046 -15.121
14 HA ARG 3 HA ARG 3 7.522 -0.333 -16.686
15 HB3 ARG 3 2HB ARG 3 6.789 -1.881 -18.379
16 HG3 ARG 3 2HG ARG 3 9.534 -2.584 -17.374
17 HD3 ARG 3 2HD ARG 3 8.815 -4.415 -18.744
18 HE ARG 3 HE ARG 3 7.497 -2.437 -20.358
19 HH11 ARG 3 1HH1 ARG 3 8.842 -5.648 -20.295
20 HH12 ARG 3 2HH1 ARG 3 7.868 -6.223 -21.608
21 HH21 ARG 3 1HH2 ARG 3 6.210 -3.182 -22.088
22 HH22 ARG 3 2HH2 ARG 3 6.371 -4.819 -22.628
23 H ALA 4 H ALA 4 6.141 0.369 -14.961
24 HA ALA 4 HA ALA 4 4.030 -1.325 -14.008
25 HB1 ALA 4 1HB ALA 4 3.378 0.465 -12.659
26 HB2 ALA 4 2HB ALA 4 5.128 0.641 -12.783
27 HB3 ALA 4 3HB ALA 4 4.068 1.663 -13.753
28 H ASP 5 H ASP 5 4.489 0.721 -16.721
29 HA ASP 5 HA ASP 5 1.826 1.485 -17.235
30 HB3 ASP 5 2HB ASP 5 3.811 2.492 -18.337
31 H ASP 6 H ASP 6 3.364 -1.538 -17.405
32 HA ASP 6 HA ASP 6 2.151 -2.830 -19.521
33 HB3 ASP 6 2HB ASP 6 3.887 -3.774 -17.951
34 H THR 7 H THR 7 0.426 -4.586 -19.279
35 HA THR 7 HA THR 7 -1.812 -5.006 -19.138
36 HB THR 7 HB THR 7 -2.474 -4.135 -16.541
37 HG1 THR 7 1HG THR 7 -0.497 -3.887 -15.750
38 HG21 THR 7 3HG2 THR 7 -2.442 -6.522 -16.026
39 HG22 THR 7 1HG2 THR 7 -1.512 -6.836 -17.490
40 HG23 THR 7 2HG2 THR 7 -3.167 -6.235 -17.607
41 H ALA 8 H ALA 8 -2.564 -3.450 -20.594
42 HA ALA 8 HA ALA 8 -3.900 -1.734 -21.268
43 HB1 ALA 8 1HB ALA 8 -4.681 -0.853 -18.577
44 HB2 ALA 8 2HB ALA 8 -5.677 -1.286 -19.967
45 HB3 ALA 8 3HB ALA 8 -5.007 -2.551 -18.935
46 H LEU 9 H LEU 9 -4.441 0.753 -20.292
47 HA LEU 9 HA LEU 9 -2.016 2.127 -20.761
48 HB3 LEU 9 2HB LEU 9 -3.556 4.060 -19.733
49 HG LEU 9 HG LEU 9 -2.858 3.783 -22.177
50 HD11 LEU 9 1HD1 LEU 9 -5.192 3.178 -23.403
51 HD12 LEU 9 2HD1 LEU 9 -5.229 2.052 -22.048
52 HD13 LEU 9 3HD1 LEU 9 -3.867 2.038 -23.169
53 HD21 LEU 9 3HD2 LEU 9 -5.466 5.027 -21.337
54 HD22 LEU 9 1HD2 LEU 9 -4.754 5.269 -22.933
55 HD23 LEU 9 2HD2 LEU 9 -3.888 5.800 -21.491
56 HA PRO 10 HA PRO 10 -0.220 2.477 -16.770
57 HB3 PRO 10 2HB PRO 10 1.573 3.476 -17.803
58 HG3 PRO 10 2HG PRO 10 1.272 4.910 -19.608
59 HD3 PRO 10 2HD PRO 10 -0.001 3.120 -20.307
60 H ALA 11 H ALA 11 -0.709 3.220 -14.759
61 HA ALA 11 HA ALA 11 -1.976 4.170 -13.117
62 HB1 ALA 11 1HB ALA 11 -2.004 6.581 -13.073
63 HB2 ALA 11 2HB ALA 11 -0.445 6.027 -13.685
64 HB3 ALA 11 3HB ALA 11 -1.660 6.651 -14.802
65 H ALA 12 H ALA 12 -3.772 2.813 -14.010
66 HA ALA 12 HA ALA 12 -5.803 4.114 -15.573
67 HB1 ALA 12 1HB ALA 12 -7.053 1.939 -14.565
68 HB2 ALA 12 2HB ALA 12 -6.026 1.916 -15.999
69 HB3 ALA 12 3HB ALA 12 -5.367 1.438 -14.435
70 H THR 13 H THR 13 -5.106 3.697 -12.198
71 HA THR 13 HA THR 13 -7.565 5.180 -11.547
72 HB THR 13 HB THR 13 -6.372 2.908 -9.948
73 HG1 THR 13 1HG THR 13 -8.992 3.102 -11.022
74 HG21 THR 13 3HG2 THR 13 -7.167 4.186 -8.237
75 HG22 THR 13 1HG2 THR 13 -8.677 3.403 -8.703
76 HG23 THR 13 2HG2 THR 13 -8.321 5.037 -9.263
77 H GLY 14 H GLY 14 -4.362 4.213 -10.317
78 HA2 GLY 14 2HA GLY 14 -2.806 6.080 -9.839
79 HA3 GLY 14 3HA GLY 14 -4.167 6.890 -9.076
80 H ALA 15 H ALA 15 -4.781 6.325 -7.006
81 HA ALA 15 HA ALA 15 -2.766 5.291 -5.322
82 HB1 ALA 15 1HB ALA 15 -4.943 6.830 -4.917
83 HB2 ALA 15 2HB ALA 15 -5.520 5.290 -4.279
84 HB3 ALA 15 3HB ALA 15 -4.055 6.022 -3.624
85 H LEU 16 H LEU 16 -5.572 3.847 -6.842
86 HA LEU 16 HA LEU 16 -5.654 1.474 -5.311
87 HB3 LEU 16 2HB LEU 16 -6.461 1.506 -8.182
88 HG LEU 16 HG LEU 16 -8.459 0.370 -7.457
89 HD11 LEU 16 1HD1 LEU 16 -6.040 -0.749 -7.585
90 HD12 LEU 16 2HD1 LEU 16 -7.498 -1.664 -7.201
91 HD13 LEU 16 3HD1 LEU 16 -6.431 -1.121 -5.906
92 HD21 LEU 16 3HD2 LEU 16 -7.386 0.842 -4.683
93 HD22 LEU 16 1HD2 LEU 16 -8.665 -0.315 -5.052
94 HD23 LEU 16 2HD2 LEU 16 -8.914 1.402 -5.364
95 H GLU 17 H GLU 17 -4.151 2.218 -8.447
96 HA GLU 17 HA GLU 17 -3.003 -0.376 -8.745
97 HB3 GLU 17 2HB GLU 17 -3.289 1.951 -10.332
98 HG3 GLU 17 2HG GLU 17 -0.909 2.416 -9.607
99 H LEU 18 H LEU 18 -1.938 2.661 -7.366
100 HA LEU 18 HA LEU 18 0.807 2.188 -7.215
101 HB3 LEU 18 2HB LEU 18 -1.031 3.726 -5.391
102 HG LEU 18 HG LEU 18 1.885 3.372 -5.170
103 HD11 LEU 18 1HD1 LEU 18 0.931 5.869 -6.019
104 HD12 LEU 18 2HD1 LEU 18 2.529 5.481 -5.385
105 HD13 LEU 18 3HD1 LEU 18 1.257 6.026 -4.293
106 HD21 LEU 18 3HD2 LEU 18 0.605 2.727 -3.313
107 HD22 LEU 18 1HD2 LEU 18 -0.389 4.183 -3.385
108 HD23 LEU 18 2HD2 LEU 18 1.294 4.290 -2.866
109 H VAL 19 H VAL 19 -1.709 1.530 -4.777
110 HA VAL 19 HA VAL 19 -0.034 0.321 -2.885
111 HB VAL 19 HB VAL 19 -2.964 0.311 -3.393
112 HG11 VAL 19 1HG1 VAL 19 -3.240 -1.261 -1.438
113 HG12 VAL 19 2HG1 VAL 19 -2.705 -2.002 -2.948
114 HG13 VAL 19 3HG1 VAL 19 -1.545 -1.694 -1.656
115 HG21 VAL 19 3HG2 VAL 19 -2.731 1.927 -1.876
116 HG22 VAL 19 1HG2 VAL 19 -2.407 0.659 -0.694
117 HG23 VAL 19 2HG2 VAL 19 -1.069 1.452 -1.526
118 H ARG 20 H ARG 20 -2.174 -1.223 -5.285
119 HA ARG 20 HA ARG 20 -1.424 -3.858 -4.778
120 HB3 ARG 20 2HB ARG 20 -2.209 -4.288 -7.137
121 HG3 ARG 20 2HG ARG 20 -3.979 -2.618 -5.369
122 HD3 ARG 20 2HD ARG 20 -4.876 -2.563 -7.609
123 HE ARG 20 HE ARG 20 -5.040 -5.464 -7.833
124 HH11 ARG 20 1HH1 ARG 20 -3.572 -2.482 -8.866
125 HH12 ARG 20 2HH1 ARG 20 -2.940 -3.149 -10.334
126 HH21 ARG 20 1HH2 ARG 20 -4.213 -6.355 -9.763
127 HH22 ARG 20 2HH2 ARG 20 -3.306 -5.352 -10.845
128 H HIS 21 H HIS 21 0.013 -1.437 -6.901
129 HA HIS 21 HA HIS 21 1.824 -3.120 -8.237
130 HB3 HIS 21 2HB HIS 21 2.183 -0.191 -7.570
131 HD1 HIS 21 1HD HIS 21 3.155 -2.895 -10.058
132 HD2 HIS 21 2HD HIS 21 4.391 0.851 -8.754
133 HE1 HIS 21 1HE HIS 21 5.329 -2.455 -11.242
134 H LEU 22 H LEU 22 2.451 -0.899 -5.515
135 HA LEU 22 HA LEU 22 5.061 -1.705 -5.001
136 HB3 LEU 22 2HB LEU 22 4.829 -0.675 -2.852
137 HG LEU 22 HG LEU 22 3.461 0.720 -5.082
138 HD11 LEU 22 1HD1 LEU 22 1.958 1.231 -3.257
139 HD12 LEU 22 2HD1 LEU 22 2.941 2.644 -3.640
140 HD13 LEU 22 3HD1 LEU 22 3.319 1.665 -2.222
141 HD21 LEU 22 3HD2 LEU 22 5.907 0.962 -3.437
142 HD22 LEU 22 1HD2 LEU 22 5.186 2.464 -4.017
143 HD23 LEU 22 2HD2 LEU 22 5.668 1.215 -5.167
144 H VAL 23 H VAL 23 2.020 -2.926 -3.640
145 HA VAL 23 HA VAL 23 3.145 -4.775 -1.852
146 HB VAL 23 HB VAL 23 0.481 -4.898 -3.270
147 HG11 VAL 23 1HG1 VAL 23 1.406 -6.352 -0.795
148 HG12 VAL 23 2HG1 VAL 23 -0.207 -6.424 -1.509
149 HG13 VAL 23 3HG1 VAL 23 1.177 -7.080 -2.384
150 HG21 VAL 23 3HG2 VAL 23 -0.428 -3.651 -1.564
151 HG22 VAL 23 1HG2 VAL 23 0.846 -4.086 -0.424
152 HG23 VAL 23 2HG2 VAL 23 1.168 -2.912 -1.701
153 H ALA 24 H ALA 24 2.121 -5.121 -5.227
154 HA ALA 24 HA ALA 24 2.551 -7.881 -5.471
155 HB1 ALA 24 1HB ALA 24 2.786 -7.356 -7.935
156 HB2 ALA 24 2HB ALA 24 1.297 -6.811 -7.162
157 HB3 ALA 24 3HB ALA 24 2.589 -5.659 -7.497
158 H GLU 25 H GLU 25 4.709 -5.142 -6.177
159 HA GLU 25 HA GLU 25 6.889 -6.643 -7.095
160 HB3 GLU 25 2HB GLU 25 8.230 -4.657 -6.684
161 HG3 GLU 25 2HG GLU 25 5.476 -4.188 -7.737
162 H ARG 26 H ARG 26 5.707 -6.042 -3.898
163 HA ARG 26 HA ARG 26 8.134 -6.723 -2.533
164 HB3 ARG 26 2HB ARG 26 6.428 -6.988 -0.572
165 HG3 ARG 26 2HG ARG 26 5.995 -4.325 -0.870
166 HD3 ARG 26 2HD ARG 26 7.384 -5.802 0.814
167 HE ARG 26 HE ARG 26 9.373 -5.237 -1.124
168 HH11 ARG 26 1HH1 ARG 26 8.832 -5.350 2.313
169 HH12 ARG 26 2HH1 ARG 26 10.490 -5.685 2.694
170 HH21 ARG 26 1HH2 ARG 26 11.557 -5.676 -0.636
171 HH22 ARG 26 2HH2 ARG 26 12.038 -5.869 1.015
172 H ALA 27 H ALA 27 5.531 -8.479 -3.934
173 HA ALA 27 HA ALA 27 6.209 -10.912 -2.452
174 HB1 ALA 27 1HB ALA 27 4.218 -11.830 -3.780
175 HB2 ALA 27 2HB ALA 27 3.891 -10.647 -2.512
176 HB3 ALA 27 3HB ALA 27 3.899 -10.148 -4.204
177 H GLU 28 H GLU 28 7.522 -9.413 -4.935
178 HA GLU 28 HA GLU 28 8.811 -10.029 -6.706
179 HB3 GLU 28 2HB GLU 28 8.545 -12.905 -5.897
180 HG3 GLU 28 2HG GLU 28 10.013 -12.071 -7.830
181 H LEU 29 H LEU 29 6.627 -9.445 -7.749
182 HA LEU 29 HA LEU 29 5.980 -11.594 -9.617
183 HB3 LEU 29 2HB LEU 29 3.526 -10.792 -9.410
184 HG LEU 29 HG LEU 29 4.726 -12.499 -7.233
185 HD11 LEU 29 1HD1 LEU 29 2.758 -12.479 -6.217
186 HD12 LEU 29 2HD1 LEU 29 2.013 -13.120 -7.681
187 HD13 LEU 29 3HD1 LEU 29 2.110 -11.377 -7.432
188 HD21 LEU 29 3HD2 LEU 29 4.497 -14.266 -8.615
189 HD22 LEU 29 1HD2 LEU 29 4.626 -13.034 -9.870
190 HD23 LEU 29 2HD2 LEU 29 3.040 -13.625 -9.373
191 HA PRO 30 HA PRO 30 6.015 -8.436 -12.662
192 HB3 PRO 30 2HB PRO 30 5.638 -10.075 -14.227
193 HG3 PRO 30 2HG PRO 30 4.210 -11.855 -13.779
194 HD3 PRO 30 2HD PRO 30 5.530 -11.920 -11.891
195 H VAL 31 H VAL 31 3.563 -8.674 -10.477
196 HA VAL 31 HA VAL 31 2.080 -7.104 -9.712
197 HB VAL 31 HB VAL 31 2.838 -5.501 -12.160
198 HG11 VAL 31 1HG1 VAL 31 0.612 -5.001 -11.070
199 HG12 VAL 31 2HG1 VAL 31 1.524 -4.508 -9.642
200 HG13 VAL 31 3HG1 VAL 31 1.745 -3.654 -11.170
201 HG21 VAL 31 3HG2 VAL 31 3.742 -4.623 -9.510
202 HG22 VAL 31 1HG2 VAL 31 4.472 -6.125 -10.079
203 HG23 VAL 31 2HG2 VAL 31 4.601 -4.658 -11.049
204 H GLU 32 H GLU 32 2.007 -7.715 -13.200
205 HA GLU 32 HA GLU 32 -0.698 -7.180 -13.648
206 HB3 GLU 32 2HB GLU 32 1.050 -7.562 -15.405
207 HG3 GLU 32 2HG GLU 32 1.334 -10.063 -14.192
208 H VAL 33 H VAL 33 0.788 -9.726 -11.934
209 HA VAL 33 HA VAL 33 -1.487 -11.528 -12.206
210 HB VAL 33 HB VAL 33 -0.225 -13.132 -10.974
211 HG11 VAL 33 1HG1 VAL 33 0.840 -13.494 -12.893
212 HG12 VAL 33 2HG1 VAL 33 0.904 -11.768 -13.254
213 HG13 VAL 33 3HG1 VAL 33 2.162 -12.511 -12.266
214 HG21 VAL 33 3HG2 VAL 33 1.140 -10.761 -9.948
215 HG22 VAL 33 1HG2 VAL 33 0.899 -12.343 -9.205
216 HG23 VAL 33 2HG2 VAL 33 2.227 -12.093 -10.339
217 H LEU 34 H LEU 34 -0.712 -8.886 -10.357
218 HA LEU 34 HA LEU 34 -1.594 -9.696 -7.787
219 HB3 LEU 34 2HB LEU 34 -1.944 -6.882 -8.658
220 HG LEU 34 HG LEU 34 -0.571 -6.402 -6.621
221 HD11 LEU 34 1HD1 LEU 34 -2.396 -7.072 -5.026
222 HD12 LEU 34 2HD1 LEU 34 -3.157 -7.919 -6.371
223 HD13 LEU 34 3HD1 LEU 34 -2.924 -6.173 -6.448
224 HD21 LEU 34 3HD2 LEU 34 0.295 -8.010 -5.310
225 HD22 LEU 34 1HD2 LEU 34 0.174 -9.005 -6.761
226 HD23 LEU 34 2HD2 LEU 34 -1.088 -9.081 -5.531
227 H ARG 35 H ARG 35 -3.578 -10.204 -7.167
228 HA ARG 35 HA ARG 35 -5.847 -9.460 -8.839
229 HB3 ARG 35 2HB ARG 35 -6.413 -11.013 -6.424
230 HG3 ARG 35 2HG ARG 35 -7.913 -10.833 -8.412
231 HD3 ARG 35 2HD ARG 35 -5.767 -11.279 -9.931
232 HE ARG 35 HE ARG 35 -6.384 -13.893 -9.085
233 HH11 ARG 35 1HH1 ARG 35 -5.690 -12.078 -11.973
234 HH12 ARG 35 2HH1 ARG 35 -5.020 -13.432 -12.821
235 HH21 ARG 35 1HH2 ARG 35 -5.503 -15.685 -10.189
236 HH22 ARG 35 2HH2 ARG 35 -4.915 -15.483 -11.806
237 H ASP 36 H ASP 36 -7.819 -8.623 -7.873
238 HA ASP 36 HA ASP 36 -7.280 -6.415 -6.140
239 HB3 ASP 36 2HB ASP 36 -9.433 -5.686 -6.626
240 H ASP 37 H ASP 37 -8.420 -9.648 -5.710
241 HA ASP 37 HA ASP 37 -9.240 -9.053 -2.952
242 HB3 ASP 37 2HB ASP 37 -10.324 -11.263 -2.983
243 H SER 38 H SER 38 -6.454 -9.439 -4.159
244 HA SER 38 HA SER 38 -5.447 -11.857 -3.017
245 HB3 SER 38 2HB SER 38 -4.369 -9.579 -4.525
246 HG SER 38 HG SER 38 -2.252 -10.793 -3.462
247 H ARG 39 H ARG 39 -5.401 -12.166 -0.892
248 HA ARG 39 HA ARG 39 -5.391 -10.070 1.018
249 HB3 ARG 39 2HB ARG 39 -5.360 -11.770 2.670
250 HG3 ARG 39 2HG ARG 39 -6.578 -13.359 0.463
251 HD3 ARG 39 2HD ARG 39 -6.658 -13.395 3.264
252 HE ARG 39 HE ARG 39 -8.494 -12.123 3.730
253 HH11 ARG 39 1HH1 ARG 39 -9.029 -13.810 0.732
254 HH12 ARG 39 2HH1 ARG 39 -10.679 -13.299 0.588
255 HH21 ARG 39 1HH2 ARG 39 -10.665 -11.444 3.552
256 HH22 ARG 39 2HH2 ARG 39 -11.608 -11.953 2.192
257 H PHE 40 H PHE 40 -3.749 -9.738 2.686
258 HA PHE 40 HA PHE 40 -1.123 -9.541 1.492
259 HB3 PHE 40 2HB PHE 40 -0.543 -8.242 3.486
260 HD1 PHE 40 1HD PHE 40 -0.864 -7.187 1.029
261 HD2 PHE 40 2HD PHE 40 -3.722 -7.092 4.181
262 HE1 PHE 40 1HE PHE 40 -1.917 -5.210 0.010
263 HE2 PHE 40 2HE PHE 40 -4.780 -5.116 3.167
264 HZ PHE 40 HZ PHE 40 -3.879 -4.173 1.078
265 H LEU 41 H LEU 41 -2.493 -12.109 2.604
266 HA LEU 41 HA LEU 41 -0.037 -13.211 3.690
267 HB3 LEU 41 2HB LEU 41 -0.940 -14.041 5.693
268 HG LEU 41 HG LEU 41 -0.686 -11.410 5.579
269 HD11 LEU 41 1HD1 LEU 41 -3.622 -11.797 6.139
270 HD12 LEU 41 2HD1 LEU 41 -2.929 -10.994 4.732
271 HD13 LEU 41 3HD1 LEU 41 -2.723 -10.293 6.337
272 HD21 LEU 41 3HD2 LEU 41 -0.239 -11.959 7.687
273 HD22 LEU 41 1HD2 LEU 41 -1.349 -13.329 7.636
274 HD23 LEU 41 2HD2 LEU 41 -1.952 -11.720 8.033
275 H ASP 42 H ASP 42 -3.414 -13.769 2.792
276 HA ASP 42 HA ASP 42 -3.336 -16.540 2.523
277 HB3 ASP 42 2HB ASP 42 -4.919 -14.715 0.715
278 H ASP 43 H ASP 43 -2.754 -14.046 0.051
279 HA ASP 43 HA ASP 43 -1.471 -16.112 -1.610
280 HB3 ASP 43 2HB ASP 43 -1.880 -13.802 -3.167
281 H LEU 44 H LEU 44 -1.230 -12.660 -0.761
282 HA LEU 44 HA LEU 44 1.355 -12.282 -1.808
283 HB3 LEU 44 2HB LEU 44 1.402 -10.240 -0.479
284 HG LEU 44 HG LEU 44 -1.326 -10.725 -1.668
285 HD11 LEU 44 1HD1 LEU 44 -1.213 -8.123 -1.754
286 HD12 LEU 44 2HD1 LEU 44 -0.114 -8.316 -0.389
287 HD13 LEU 44 3HD1 LEU 44 -1.763 -8.935 -0.288
288 HD21 LEU 44 3HD2 LEU 44 0.675 -10.841 -3.172
289 HD22 LEU 44 1HD2 LEU 44 1.008 -9.162 -2.752
290 HD23 LEU 44 2HD2 LEU 44 -0.489 -9.581 -3.582
291 H HIS 45 H HIS 45 0.232 -13.706 1.127
292 HA HIS 45 HA HIS 45 1.284 -14.519 2.983
293 HB3 HIS 45 2HB HIS 45 3.666 -14.953 1.189
294 HD1 HIS 45 1HD HIS 45 3.077 -15.033 4.487
295 HD2 HIS 45 2HD HIS 45 3.814 -18.140 1.830
296 HE1 HIS 45 1HE HIS 45 3.946 -16.928 5.893
297 H MET 46 H MET 46 1.339 -11.936 3.277
298 HA MET 46 HA MET 46 4.125 -11.222 3.913
299 HB3 MET 46 2HB MET 46 3.605 -8.940 3.578
300 HG3 MET 46 2HG MET 46 2.074 -9.068 1.385
301 HE1 MET 46 3HE MET 46 3.006 -7.499 0.454
302 HE2 MET 46 1HE MET 46 4.708 -7.035 0.462
303 HE3 MET 46 2HE MET 46 4.056 -7.971 -0.883
304 H SER 47 H SER 47 4.643 -11.012 5.988
305 HA SER 47 HA SER 47 2.704 -11.464 8.033
306 HB3 SER 47 2HB SER 47 4.548 -11.346 9.576
307 HG SER 47 HG SER 47 5.078 -13.178 8.701
308 H SER 48 H SER 48 2.301 -10.045 9.856
309 HA SER 48 HA SER 48 1.276 -7.594 9.207
310 HB3 SER 48 2HB SER 48 1.239 -9.046 11.449
311 HG SER 48 HG SER 48 2.315 -7.723 13.070
312 H ILE 49 H ILE 49 4.554 -8.346 10.250
313 HA ILE 49 HA ILE 49 5.387 -5.615 10.438
314 HB ILE 49 HB ILE 49 7.072 -8.111 10.194
315 HG13 ILE 49 2HG1 ILE 49 5.695 -6.778 12.465
316 HG21 ILE 49 1HG2 ILE 49 8.186 -5.804 11.587
317 HG22 ILE 49 2HG2 ILE 49 8.909 -6.850 10.366
318 HG23 ILE 49 3HG2 ILE 49 7.873 -5.509 9.878
319 HD11 ILE 49 3HD1 ILE 49 6.118 -9.483 11.486
320 HD12 ILE 49 1HD1 ILE 49 6.369 -9.319 13.223
321 HD13 ILE 49 2HD1 ILE 49 4.835 -8.828 12.503
322 H THR 50 H THR 50 5.639 -8.151 7.991
323 HA THR 50 HA THR 50 7.323 -6.779 6.205
324 HB THR 50 HB THR 50 5.233 -8.887 5.625
325 HG1 THR 50 1HG THR 50 6.980 -9.516 7.027
326 HG21 THR 50 3HG2 THR 50 6.002 -7.447 3.665
327 HG22 THR 50 1HG2 THR 50 6.202 -9.191 3.497
328 HG23 THR 50 2HG2 THR 50 7.590 -8.177 3.895
329 H VAL 51 H VAL 51 3.816 -6.811 6.584
330 HA VAL 51 HA VAL 51 3.149 -5.411 4.244
331 HB VAL 51 HB VAL 51 1.612 -5.135 6.814
332 HG11 VAL 51 1HG1 VAL 51 1.002 -4.969 3.895
333 HG12 VAL 51 2HG1 VAL 51 -0.270 -5.416 5.033
334 HG13 VAL 51 3HG1 VAL 51 0.559 -3.868 5.199
335 HG21 VAL 51 3HG2 VAL 51 0.571 -7.316 5.402
336 HG22 VAL 51 1HG2 VAL 51 2.313 -7.578 5.470
337 HG23 VAL 51 2HG2 VAL 51 1.398 -7.344 6.958
338 H GLY 52 H GLY 52 3.677 -4.223 7.563
339 HA2 GLY 52 2HA GLY 52 3.230 -1.513 7.064
340 HA3 GLY 52 3HA GLY 52 4.246 -2.145 8.351
341 H GLN 53 H GLN 53 5.989 -3.497 6.328
342 HA GLN 53 HA GLN 53 7.906 -1.436 6.067
343 HB3 GLN 53 2HB GLN 53 9.236 -3.069 4.849
344 HG3 GLN 53 2HG GLN 53 8.445 -5.163 6.460
345 HE21 GLN 53 1HE2 GLN 53 9.497 -4.007 8.949
346 HE22 GLN 53 2HE2 GLN 53 11.183 -3.757 8.670
347 H LEU 54 H LEU 54 5.808 -3.045 3.694
348 HA LEU 54 HA LEU 54 6.693 -1.304 1.566
349 HB3 LEU 54 2HB LEU 54 5.853 -3.789 1.477
350 HG LEU 54 HG LEU 54 3.465 -2.958 2.234
351 HD11 LEU 54 1HD1 LEU 54 3.618 -1.440 0.044
352 HD12 LEU 54 2HD1 LEU 54 2.096 -2.080 0.662
353 HD13 LEU 54 3HD1 LEU 54 2.918 -2.893 -0.670
354 HD21 LEU 54 3HD2 LEU 54 2.612 -4.791 0.487
355 HD22 LEU 54 1HD2 LEU 54 3.536 -5.203 1.932
356 HD23 LEU 54 2HD2 LEU 54 4.350 -5.081 0.371
357 H VAL 55 H VAL 55 3.990 -1.538 3.771
358 HA VAL 55 HA VAL 55 2.162 0.143 2.499
359 HB VAL 55 HB VAL 55 2.094 -1.248 4.799
360 HG11 VAL 55 1HG1 VAL 55 2.126 0.080 6.722
361 HG12 VAL 55 2HG1 VAL 55 3.549 0.602 5.817
362 HG13 VAL 55 3HG1 VAL 55 2.081 1.580 5.797
363 HG21 VAL 55 3HG2 VAL 55 -0.069 -0.167 5.237
364 HG22 VAL 55 1HG2 VAL 55 0.365 1.130 4.123
365 HG23 VAL 55 2HG2 VAL 55 0.157 -0.515 3.523
366 H ASN 56 H ASN 56 5.061 0.870 4.290
367 HA ASN 56 HA ASN 56 4.512 3.616 4.770
368 HB3 ASN 56 2HB ASN 56 7.290 3.344 4.637
369 HD21 ASN 56 1HD2 ASN 56 6.711 1.603 7.296
370 HD22 ASN 56 2HD2 ASN 56 6.362 2.862 8.426
371 H GLU 57 H GLU 57 5.959 1.840 2.115
372 HA GLU 57 HA GLU 57 7.023 4.094 0.753
373 HB3 GLU 57 2HB GLU 57 6.162 1.607 -0.677
374 HG3 GLU 57 2HG GLU 57 7.459 3.583 -1.725
375 H ALA 58 H ALA 58 3.927 2.427 0.675
376 HA ALA 58 HA ALA 58 2.873 3.676 -1.620
377 HB1 ALA 58 1HB ALA 58 1.860 2.023 0.566
378 HB2 ALA 58 2HB ALA 58 0.672 3.156 -0.084
379 HB3 ALA 58 3HB ALA 58 1.467 2.000 -1.154
380 H ALA 59 H ALA 59 2.409 4.432 1.833
381 HA ALA 59 HA ALA 59 0.804 6.678 1.532
382 HB1 ALA 59 1HB ALA 59 2.092 5.366 3.647
383 HB2 ALA 59 2HB ALA 59 2.608 7.051 3.733
384 HB3 ALA 59 3HB ALA 59 0.889 6.654 3.749
385 H ARG 60 H ARG 60 4.334 6.416 1.529
386 HA ARG 60 HA ARG 60 4.960 9.133 1.508
387 HB3 ARG 60 2HB ARG 60 6.637 7.335 -0.151
388 HG3 ARG 60 2HG ARG 60 8.311 8.160 1.672
389 HD3 ARG 60 2HD ARG 60 7.724 8.961 -0.860
390 HE ARG 60 HE ARG 60 6.673 11.034 0.629
391 HH11 ARG 60 1HH1 ARG 60 9.167 10.620 -1.764
392 HH12 ARG 60 2HH1 ARG 60 9.005 12.223 -2.400
393 HH21 ARG 60 1HH2 ARG 60 6.448 13.146 -0.201
394 HH22 ARG 60 2HH2 ARG 60 7.458 13.659 -1.510
395 H ALA 61 H ALA 61 4.226 6.936 -1.168
396 HA ALA 61 HA ALA 61 4.715 8.825 -3.231
397 HB1 ALA 61 1HB ALA 61 3.353 7.206 -4.622
398 HB2 ALA 61 2HB ALA 61 4.789 6.546 -3.838
399 HB3 ALA 61 3HB ALA 61 3.192 6.234 -3.159
400 H MET 62 H MET 62 1.816 7.842 -1.461
401 HA MET 62 HA MET 62 0.018 9.414 -3.014
402 HB3 MET 62 2HB MET 62 -1.602 8.944 -1.226
403 HG3 MET 62 2HG MET 62 -1.659 6.558 -1.299
404 HE1 MET 62 3HE MET 62 -3.316 7.984 -2.697
405 HE2 MET 62 1HE MET 62 -2.351 9.237 -3.478
406 HE3 MET 62 2HE MET 62 -3.270 8.095 -4.458
407 H GLY 63 H GLY 63 2.343 10.221 -0.717
408 HA2 GLY 63 2HA GLY 63 2.928 12.388 -0.068
409 HA3 GLY 63 3HA GLY 63 1.359 12.954 -0.624
410 H LEU 64 H LEU 64 2.016 10.323 1.645
411 HA LEU 64 HA LEU 64 0.423 11.767 3.644
412 HB3 LEU 64 2HB LEU 64 -0.009 9.642 4.667
413 HG LEU 64 HG LEU 64 -0.240 8.907 1.771
414 HD11 LEU 64 1HD1 LEU 64 -2.217 8.588 4.011
415 HD12 LEU 64 2HD1 LEU 64 -0.958 7.399 3.677
416 HD13 LEU 64 3HD1 LEU 64 -2.178 7.759 2.455
417 HD21 LEU 64 3HD2 LEU 64 -2.323 10.229 1.693
418 HD22 LEU 64 1HD2 LEU 64 -0.882 11.234 1.852
419 HD23 LEU 64 2HD2 LEU 64 -1.907 10.936 3.255
420 H SER 65 H SER 65 1.186 10.432 5.926
421 HA SER 65 HA SER 65 4.035 10.468 6.255
422 HB3 SER 65 2HB SER 65 2.368 12.749 7.319
423 HG SER 65 HG SER 65 4.458 13.276 8.379
424 H ALA 66 H ALA 66 1.455 11.369 8.521
425 HA ALA 66 HA ALA 66 2.295 9.331 10.372
426 HB1 ALA 66 1HB ALA 66 0.843 10.308 11.914
427 HB2 ALA 66 2HB ALA 66 1.398 11.667 10.935
428 HB3 ALA 66 3HB ALA 66 -0.198 10.972 10.653
429 H VAL 67 H VAL 67 0.189 9.433 7.738
430 HA VAL 67 HA VAL 67 -1.895 7.742 8.586
431 HB VAL 67 HB VAL 67 -0.757 8.075 5.807
432 HG11 VAL 67 1HG1 VAL 67 -3.163 6.669 6.871
433 HG12 VAL 67 2HG1 VAL 67 -3.239 7.437 5.284
434 HG13 VAL 67 3HG1 VAL 67 -2.044 6.179 5.600
435 HG21 VAL 67 3HG2 VAL 67 -1.456 10.203 6.428
436 HG22 VAL 67 1HG2 VAL 67 -2.877 9.540 5.621
437 HG23 VAL 67 2HG2 VAL 67 -2.806 9.589 7.382
438 H ALA 68 H ALA 68 1.386 7.104 8.048
439 HA ALA 68 HA ALA 68 1.676 4.673 6.943
440 HB1 ALA 68 1HB ALA 68 2.994 4.798 9.561
441 HB2 ALA 68 2HB ALA 68 3.683 4.611 7.948
442 HB3 ALA 68 3HB ALA 68 3.244 6.213 8.541
443 H MET 69 H MET 69 0.376 2.962 7.060
444 HA MET 69 HA MET 69 -0.755 1.173 7.895
445 HB3 MET 69 2HB MET 69 -0.053 0.204 9.898
446 HG3 MET 69 2HG MET 69 2.359 1.859 9.856
447 HE1 MET 69 3HE MET 69 1.014 -1.174 8.126
448 HE2 MET 69 1HE MET 69 1.961 -2.537 8.722
449 HE3 MET 69 2HE MET 69 0.605 -1.925 9.669
450 HA PRO 70 HA PRO 70 -4.011 4.060 9.427
451 HB3 PRO 70 2HB PRO 70 -4.724 4.435 7.275
452 HG3 PRO 70 2HG PRO 70 -4.297 2.897 5.584
453 HD3 PRO 70 2HD PRO 70 -2.182 3.104 6.475
454 H THR 71 H THR 71 -3.775 0.629 8.984
455 HA THR 71 HA THR 71 -5.048 0.010 11.402
456 HB THR 71 HB THR 71 -7.124 0.644 10.306
457 HG1 THR 71 1HG THR 71 -7.744 -0.990 11.517
458 HG21 THR 71 3HG2 THR 71 -5.996 -0.216 7.993
459 HG22 THR 71 1HG2 THR 71 -7.722 0.074 8.204
460 HG23 THR 71 2HG2 THR 71 -7.077 -1.561 8.356
461 H ASN 72 H ASN 72 -5.473 -2.387 11.609
462 HA ASN 72 HA ASN 72 -3.255 -3.868 10.980
463 HB3 ASN 72 2HB ASN 72 -5.972 -5.153 11.175
464 HD21 ASN 72 1HD2 ASN 72 -5.905 -7.189 12.128
465 HD22 ASN 72 2HD2 ASN 72 -4.438 -8.092 12.253
466 H PHE 73 H PHE 73 -2.652 -5.292 9.378
467 HA PHE 73 HA PHE 73 -4.333 -5.311 6.958
468 HB3 PHE 73 2HB PHE 73 -2.088 -5.494 5.720
469 HD1 PHE 73 2HD PHE 73 -4.082 -3.991 4.872
470 HD2 PHE 73 1HD PHE 73 -1.021 -2.703 7.535
471 HE1 PHE 73 2HE PHE 73 -4.526 -1.653 4.246
472 HE2 PHE 73 1HE PHE 73 -1.460 -0.363 6.914
473 HZ PHE 73 HZ PHE 73 -3.213 0.164 5.266
474 H ALA 74 H ALA 74 -2.898 -7.128 9.356
475 HA ALA 74 HA ALA 74 -2.069 -9.434 7.954
476 HB1 ALA 74 1HB ALA 74 -3.176 -9.486 10.742
477 HB2 ALA 74 2HB ALA 74 -1.908 -10.487 10.037
478 HB3 ALA 74 3HB ALA 74 -1.597 -8.786 10.383
479 H THR 75 H THR 75 -5.113 -8.113 8.287
480 HA THR 75 HA THR 75 -6.357 -10.656 7.515
481 HB THR 75 HB THR 75 -6.913 -10.360 9.867
482 HG1 THR 75 1HG THR 75 -8.712 -11.197 9.113
483 HG21 THR 75 3HG2 THR 75 -6.873 -7.662 9.322
484 HG22 THR 75 1HG2 THR 75 -7.448 -8.400 10.816
485 HG23 THR 75 2HG2 THR 75 -8.591 -7.996 9.535
486 H ALA 76 H ALA 76 -5.564 -7.783 6.459
487 HA ALA 76 HA ALA 76 -8.147 -7.122 5.227
488 HB1 ALA 76 1HB ALA 76 -7.336 -4.961 4.830
489 HB2 ALA 76 2HB ALA 76 -6.730 -5.373 6.434
490 HB3 ALA 76 3HB ALA 76 -5.657 -5.457 5.037
491 H THR 77 H THR 77 -7.657 -6.038 2.918
492 HA THR 77 HA THR 77 -5.984 -7.929 1.400
493 HB THR 77 HB THR 77 -7.834 -7.468 -0.444
494 HG1 THR 77 1HG THR 77 -9.180 -6.153 0.769
495 HG21 THR 77 3HG2 THR 77 -7.269 -9.561 1.387
496 HG22 THR 77 1HG2 THR 77 -8.025 -9.673 -0.201
497 HG23 THR 77 2HG2 THR 77 -9.021 -9.440 1.235
498 H VAL 78 H VAL 78 -5.605 -7.110 -0.893
499 HA VAL 78 HA VAL 78 -4.189 -4.738 -0.853
500 HB VAL 78 HB VAL 78 -4.124 -4.836 -3.275
501 HG11 VAL 78 1HG1 VAL 78 -2.623 -6.431 -2.883
502 HG12 VAL 78 2HG1 VAL 78 -3.579 -7.095 -1.556
503 HG13 VAL 78 3HG1 VAL 78 -3.896 -7.606 -3.215
504 HG21 VAL 78 3HG2 VAL 78 -6.449 -5.250 -3.760
505 HG22 VAL 78 1HG2 VAL 78 -5.472 -6.519 -4.496
506 HG23 VAL 78 2HG2 VAL 78 -6.361 -6.842 -3.008
507 H ARG 79 H ARG 79 -7.559 -5.301 -1.711
508 HA ARG 79 HA ARG 79 -8.086 -2.724 -2.746
509 HB3 ARG 79 2HB ARG 79 -10.179 -4.377 -1.372
510 HG3 ARG 79 2HG ARG 79 -10.652 -2.180 -2.613
511 HD3 ARG 79 2HD ARG 79 -9.261 -3.380 -4.633
512 HE ARG 79 HE ARG 79 -11.677 -4.594 -4.916
513 HH11 ARG 79 1HH1 ARG 79 -9.889 -2.263 -6.783
514 HH12 ARG 79 2HH1 ARG 79 -10.546 -2.780 -8.300
515 HH21 ARG 79 1HH2 ARG 79 -12.550 -5.284 -6.908
516 HH22 ARG 79 2HH2 ARG 79 -12.060 -4.498 -8.370
517 H GLU 80 H GLU 80 -8.240 -4.091 0.497
518 HA GLU 80 HA GLU 80 -9.548 -1.915 1.734
519 HB3 GLU 80 2HB GLU 80 -8.459 -2.871 3.842
520 HG3 GLU 80 2HG GLU 80 -9.977 -4.830 2.135
521 H MET 81 H MET 81 -6.102 -2.754 1.458
522 HA MET 81 HA MET 81 -5.151 -0.486 2.850
523 HB3 MET 81 2HB MET 81 -3.763 -2.205 0.785
524 HG3 MET 81 2HG MET 81 -2.338 -0.768 2.966
525 HE1 MET 81 3HE MET 81 -0.865 -2.418 3.330
526 HE2 MET 81 1HE MET 81 -1.040 -3.732 2.166
527 HE3 MET 81 2HE MET 81 0.498 -2.882 2.310
528 H ALA 82 H ALA 82 -5.643 -1.147 -0.595
529 HA ALA 82 HA ALA 82 -4.580 1.305 -1.530
530 HB1 ALA 82 1HB ALA 82 -5.133 0.581 -3.610
531 HB2 ALA 82 2HB ALA 82 -5.237 -0.962 -2.758
532 HB3 ALA 82 3HB ALA 82 -6.702 -0.041 -3.099
533 H GLU 83 H GLU 83 -7.874 0.252 -0.750
534 HA GLU 83 HA GLU 83 -9.237 2.533 -1.613
535 HB3 GLU 83 2HB GLU 83 -10.855 1.805 0.334
536 HG3 GLU 83 2HG GLU 83 -11.458 -0.310 -1.025
537 H ALA 84 H ALA 84 -7.685 1.810 1.479
538 HA ALA 84 HA ALA 84 -8.567 4.061 2.899
539 HB1 ALA 84 1HB ALA 84 -7.520 2.931 4.495
540 HB2 ALA 84 2HB ALA 84 -6.703 1.926 3.297
541 HB3 ALA 84 3HB ALA 84 -5.979 3.449 3.813
542 H LEU 85 H LEU 85 -5.620 3.556 0.976
543 HA LEU 85 HA LEU 85 -4.617 6.188 1.406
544 HB3 LEU 85 2HB LEU 85 -3.241 5.522 -0.714
545 HG LEU 85 HG LEU 85 -2.965 4.407 2.019
546 HD11 LEU 85 1HD1 LEU 85 -2.516 2.475 0.535
547 HD12 LEU 85 2HD1 LEU 85 -1.096 3.016 1.430
548 HD13 LEU 85 3HD1 LEU 85 -1.274 3.429 -0.275
549 HD21 LEU 85 3HD2 LEU 85 -2.066 6.635 0.864
550 HD22 LEU 85 1HD2 LEU 85 -0.737 5.554 0.444
551 HD23 LEU 85 2HD2 LEU 85 -1.175 5.796 2.135
552 H GLU 86 H GLU 86 -6.587 4.669 -1.081
553 HA GLU 86 HA GLU 86 -6.500 6.772 -2.959
554 HB3 GLU 86 2HB GLU 86 -8.959 5.111 -2.714
555 HG3 GLU 86 2HG GLU 86 -9.042 5.172 -4.975
556 H ALA 87 H ALA 87 -8.594 6.123 -0.202
557 HA ALA 87 HA ALA 87 -10.494 8.150 -0.712
558 HB1 ALA 87 1HB ALA 87 -10.664 7.913 1.946
559 HB2 ALA 87 2HB ALA 87 -11.344 6.728 0.831
560 HB3 ALA 87 3HB ALA 87 -9.777 6.432 1.585
561 H ARG 88 H ARG 88 -7.461 8.112 1.100
562 HA ARG 88 HA ARG 88 -7.630 10.574 2.363
563 HB3 ARG 88 2HB ARG 88 -5.256 10.497 2.583
564 HG3 ARG 88 2HG ARG 88 -5.136 7.691 2.473
565 HD3 ARG 88 2HD ARG 88 -4.176 8.854 4.282
566 HE ARG 88 HE ARG 88 -5.231 10.787 4.883
567 HH11 ARG 88 1HH1 ARG 88 -7.556 8.196 4.867
568 HH12 ARG 88 2HH1 ARG 88 -8.829 9.161 5.537
569 HH21 ARG 88 1HH2 ARG 88 -6.899 12.067 5.766
570 HH22 ARG 88 2HH2 ARG 88 -8.456 11.362 6.047
571 H GLU 89 H GLU 89 -6.108 9.874 -0.787
572 HA GLU 89 HA GLU 89 -5.711 12.626 -1.411
573 HB3 GLU 89 2HB GLU 89 -5.396 11.597 -3.790
574 HG3 GLU 89 2HG GLU 89 -3.414 10.263 -2.135
575 H ARG 90 H ARG 90 -8.240 10.293 -2.051
576 HA ARG 90 HA ARG 90 -9.602 11.655 -4.087
577 HB3 ARG 90 2HB ARG 90 -10.563 9.742 -1.964
578 HG3 ARG 90 2HG ARG 90 -12.089 10.813 -4.326
579 HD3 ARG 90 2HD ARG 90 -12.546 8.421 -2.568
580 HE ARG 90 HE ARG 90 -14.597 10.071 -3.118
581 HH11 ARG 90 1HH1 ARG 90 -13.696 6.945 -4.360
582 HH12 ARG 90 2HH1 ARG 90 -15.327 6.458 -4.681
583 HH21 ARG 90 1HH2 ARG 90 -16.749 9.439 -3.536
584 HH22 ARG 90 2HH2 ARG 90 -17.063 7.877 -4.213
585 H GLU 91 H GLU 91 -9.566 12.090 -0.622
586 HA GLU 91 HA GLU 91 -11.257 14.467 -0.957
587 HB3 GLU 91 2HB GLU 91 -11.501 12.854 1.545
588 HG3 GLU 91 2HG GLU 91 -13.788 14.112 0.140
589 H ALA 92 H ALA 92 -8.608 14.746 -0.993
590 HA ALA 92 HA ALA 92 -7.762 15.410 1.739
591 HB1 ALA 92 1HB ALA 92 -6.409 14.331 -0.519
592 HB2 ALA 92 2HB ALA 92 -5.673 15.883 -0.113
593 HB3 ALA 92 3HB ALA 92 -5.790 14.617 1.109
594 HA PRO 93 HA PRO 93 -8.067 19.750 1.165
595 HB3 PRO 93 2HB PRO 93 -7.216 19.994 3.285
596 HG3 PRO 93 2HG PRO 93 -5.529 18.598 4.068
597 HD3 PRO 93 2HD PRO 93 -7.005 17.022 3.263
598 H HIS 94 H HIS 94 -5.043 18.240 0.195
599 HA HIS 94 HA HIS 94 -4.662 20.388 -1.787
600 HB3 HIS 94 2HB HIS 94 -2.819 20.397 -0.234
601 HD1 HIS 94 1HD HIS 94 -2.006 17.064 -1.841
602 HD2 HIS 94 2HD HIS 94 -2.410 18.776 1.924
603 HE1 HIS 94 1HE HIS 94 -1.238 15.305 -0.216
604 H LEU 95 H LEU 95 -4.045 19.806 -3.892
605 HA LEU 95 HA LEU 95 -4.727 17.036 -4.597
606 HB3 LEU 95 2HB LEU 95 -4.487 18.862 -6.829
607 HG LEU 95 HG LEU 95 -6.869 17.341 -5.770
608 HD11 LEU 95 1HD1 LEU 95 -6.858 19.526 -7.501
609 HD12 LEU 95 2HD1 LEU 95 -8.164 18.368 -7.249
610 HD13 LEU 95 3HD1 LEU 95 -6.994 18.110 -8.542
611 HD21 LEU 95 3HD2 LEU 95 -6.398 16.024 -7.909
612 HD22 LEU 95 1HD2 LEU 95 -5.315 15.769 -6.540
613 HD23 LEU 95 2HD2 LEU 95 -4.811 16.793 -7.885
614 H GLU 96 H GLU 96 -3.229 15.714 -5.403
615 HA GLU 96 HA GLU 96 -1.006 16.650 -6.949
616 HB3 GLU 96 2HB GLU 96 -0.217 17.156 -4.663
617 HG3 GLU 96 2HG GLU 96 -1.439 14.897 -3.833
618 H HIS 97 H HIS 97 -0.498 15.122 -8.377
619 HA HIS 97 HA HIS 97 -0.321 12.360 -7.770
620 HB3 HIS 97 2HB HIS 97 -2.733 13.219 -9.383
621 HD1 HIS 97 1HD HIS 97 -2.515 11.645 -11.359
622 HD2 HIS 97 2HD HIS 97 -2.114 9.729 -7.695
623 HE1 HIS 97 1HE HIS 97 -2.563 9.185 -11.879
624 H HIS 98 H HIS 98 1.510 12.102 -8.893
625 HA HIS 98 HA HIS 98 1.433 12.695 -11.773
626 HB3 HIS 98 2HB HIS 98 3.772 13.409 -11.699
627 HD1 HIS 98 1HD HIS 98 3.243 15.079 -8.524
628 HD2 HIS 98 2HD HIS 98 1.918 15.573 -12.431
629 HE1 HIS 98 1HE HIS 98 2.346 17.426 -8.638
630 H HIS 99 H HIS 99 0.813 10.225 -10.651
631 HA HIS 99 HA HIS 99 3.151 8.532 -10.736
632 HB3 HIS 99 2HB HIS 99 0.301 7.565 -10.776
633 HD1 HIS 99 1HD HIS 99 2.932 6.763 -8.230
634 HD2 HIS 99 2HD HIS 99 1.147 5.028 -11.556
635 HE1 HIS 99 1HE HIS 99 3.676 4.361 -8.215
636 H HIS 100 H HIS 100 3.322 9.701 -13.048
637 HA HIS 100 HA HIS 100 1.900 8.182 -15.088
638 HB3 HIS 100 2HB HIS 100 4.015 10.177 -15.765
639 HD1 HIS 100 1HD HIS 100 3.994 9.473 -18.193
640 HD2 HIS 100 2HD HIS 100 0.199 10.274 -16.702
641 HE1 HIS 100 1HE HIS 100 2.471 9.475 -20.195
642 H HIS 101 H HIS 101 2.700 6.373 -15.905
643 HA HIS 101 HA HIS 101 4.143 4.750 -16.585
644 HB3 HIS 101 2HB HIS 101 6.445 6.663 -16.525
645 HD1 HIS 101 1HD HIS 101 8.288 5.244 -17.345
646 HD2 HIS 101 2HD HIS 101 4.713 4.395 -19.285
647 HE1 HIS 101 1HE HIS 101 8.856 3.503 -19.069
648 H HIS 102 H HIS 102 5.949 3.410 -15.867
649 HA HIS 102 HA HIS 102 6.976 2.254 -14.191
650 HB3 HIS 102 2HB HIS 102 7.804 4.792 -12.867
651 HD1 HIS 102 1HD HIS 102 9.284 3.845 -11.126
652 HD2 HIS 102 2HD HIS 102 9.755 1.917 -14.776
653 HE1 HIS 102 1HE HIS 102 11.163 2.211 -10.785