NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
581670 |
2mmh   |
19084 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 -13.022 -10.253 2.637
2 H2 GLY 1 H2 GLY 1 -13.621 -11.707 2.006
3 H3 GLY 1 H3 GLY 1 -11.975 -11.554 2.339
4 HA2 GLY 1 HA3 GLY 1 -13.538 -10.204 0.210
5 HA3 GLY 1 HA2 GLY 1 -11.874 -9.746 0.639
6 H SER 2 H SER 2 -10.640 -10.460 -1.047
7 HA SER 2 HA SER 2 -11.165 -13.004 -2.296
8 HB2 SER 2 HB2 SER 2 -10.328 -11.020 -3.592
9 HB3 SER 2 HB3 SER 2 -8.793 -11.152 -2.701
10 HG SER 2 HG SER 2 -8.768 -12.276 -4.695
11 H THR 3 H THR 3 -9.207 -14.555 -2.541
12 HA THR 3 HA THR 3 -8.277 -15.202 0.129
13 HB THR 3 HB THR 3 -7.820 -16.641 -2.481
14 HG1 THR 3 HG1 THR 3 -10.023 -16.491 -1.839
15 HG21 THR 3 1HG2 THR 3 -7.517 -17.483 0.433
16 HG22 THR 3 2HG2 THR 3 -7.286 -18.532 -0.986
17 HG23 THR 3 3HG2 THR 3 -6.183 -17.165 -0.700
18 H ALA 4 H ALA 4 -7.142 -13.131 0.208
19 HA ALA 4 HA ALA 4 -4.413 -13.333 -0.789
20 HB1 ALA 4 HB1 ALA 4 -6.111 -10.799 -0.889
21 HB2 ALA 4 HB2 ALA 4 -4.369 -10.908 -1.232
22 HB3 ALA 4 HB3 ALA 4 -5.539 -11.713 -2.305
23 H MET 5 H MET 5 -2.999 -12.028 0.667
24 HA MET 5 HA MET 5 -3.690 -12.312 3.382
25 HB2 MET 5 HB2 MET 5 -1.626 -11.225 3.914
26 HB3 MET 5 HB3 MET 5 -1.346 -12.365 2.577
27 HG2 MET 5 HG2 MET 5 -1.566 -10.476 0.958
28 HG3 MET 5 HG3 MET 5 -1.755 -9.354 2.326
29 HE1 MET 5 HE1 MET 5 0.550 -11.438 0.090
30 HE2 MET 5 HE2 MET 5 2.070 -11.532 1.010
31 HE3 MET 5 HE3 MET 5 0.630 -12.410 1.579
32 H ALA 6 H ALA 6 -4.308 -10.978 4.923
33 HA ALA 6 HA ALA 6 -5.482 -9.376 5.915
34 HB1 ALA 6 HB1 ALA 6 -3.876 -7.553 4.107
35 HB2 ALA 6 HB2 ALA 6 -4.807 -7.060 5.541
36 HB3 ALA 6 HB3 ALA 6 -3.402 -8.137 5.720
37 H THR 7 H THR 7 -6.792 -10.686 3.700
38 HA THR 7 HA THR 7 -8.567 -10.579 2.363
39 HB THR 7 HB THR 7 -10.528 -9.557 3.184
40 HG1 THR 7 HG1 THR 7 -9.558 -7.668 4.037
41 HG21 THR 7 1HG2 THR 7 -8.818 -10.881 5.330
42 HG22 THR 7 2HG2 THR 7 -10.595 -10.777 5.330
43 HG23 THR 7 3HG2 THR 7 -9.759 -11.727 4.079
44 H THR 8 H THR 8 -6.617 -9.297 1.067
45 HA THR 8 HA THR 8 -7.426 -6.673 0.284
46 HB THR 8 HB THR 8 -5.637 -8.606 -1.187
47 HG1 THR 8 HG1 THR 8 -4.980 -8.185 0.969
48 HG21 THR 8 1HG2 THR 8 -5.841 -5.580 -1.240
49 HG22 THR 8 2HG2 THR 8 -4.648 -6.570 -2.116
50 HG23 THR 8 3HG2 THR 8 -6.376 -6.686 -2.527
51 H MET 9 H MET 9 -8.851 -6.055 -1.235
52 HA MET 9 HA MET 9 -10.476 -8.060 -2.579
53 HB2 MET 9 HB2 MET 9 -10.735 -5.096 -2.034
54 HB3 MET 9 HB3 MET 9 -11.690 -5.869 -3.321
55 HG2 MET 9 HG2 MET 9 -13.011 -5.820 -1.302
56 HG3 MET 9 HG3 MET 9 -12.539 -7.505 -1.623
57 HE1 MET 9 HE1 MET 9 -12.133 -4.346 0.608
58 HE2 MET 9 HE2 MET 9 -10.819 -4.824 1.708
59 HE3 MET 9 HE3 MET 9 -10.478 -4.546 -0.017
60 H GLU 10 H GLU 10 -7.610 -6.508 -3.267
61 HA GLU 10 HA GLU 10 -6.381 -6.011 -5.021
62 HB2 GLU 10 HB2 GLU 10 -8.183 -7.868 -6.564
63 HB3 GLU 10 HB3 GLU 10 -6.556 -7.306 -7.017
64 HG2 GLU 10 HG2 GLU 10 -5.634 -8.345 -4.954
65 HG3 GLU 10 HG3 GLU 10 -7.261 -8.929 -4.530
66 H GLN 11 H GLN 11 -8.370 -4.126 -4.302
67 HA GLN 11 HA GLN 11 -8.713 -2.838 -6.927
68 HB2 GLN 11 HB2 GLN 11 -10.672 -1.654 -6.036
69 HB3 GLN 11 HB3 GLN 11 -10.923 -3.404 -6.239
70 HG2 GLN 11 HG2 GLN 11 -10.589 -3.742 -3.837
71 HG3 GLN 11 HG3 GLN 11 -10.304 -1.999 -3.622
72 HE21 GLN 11 1HE2 GLN 11 -12.569 -4.312 -3.146
73 HE22 GLN 11 2HE2 GLN 11 -14.032 -3.379 -3.369
74 H GLU 12 H GLU 12 -6.407 -2.840 -5.019
75 HA GLU 12 HA GLU 12 -4.980 -1.467 -3.988
76 HB2 GLU 12 HB2 GLU 12 -6.006 0.458 -6.058
77 HB3 GLU 12 HB3 GLU 12 -4.530 0.647 -5.080
78 HG2 GLU 12 HG2 GLU 12 -3.675 -1.500 -6.003
79 HG3 GLU 12 HG3 GLU 12 -5.128 -1.617 -7.025
80 H ILE 13 H ILE 13 -6.797 -1.819 -2.169
81 HA ILE 13 HA ILE 13 -7.419 0.904 -1.223
82 HB ILE 13 HB ILE 13 -8.967 -0.090 0.349
83 HG12 ILE 13 2HG1 ILE 13 -8.125 -2.330 0.638
84 HG13 ILE 13 3HG1 ILE 13 -9.821 -2.340 0.098
85 HG21 ILE 13 1HG2 ILE 13 -9.399 -0.751 -2.587
86 HG22 ILE 13 2HG2 ILE 13 -10.682 -0.567 -1.367
87 HG23 ILE 13 3HG2 ILE 13 -9.671 0.828 -1.812
88 HD11 ILE 13 3HD1 ILE 13 -9.100 -2.940 -2.159
89 HD12 ILE 13 1HD1 ILE 13 -7.404 -2.930 -1.618
90 HD13 ILE 13 2HD1 ILE 13 -8.547 -4.115 -0.943
91 H CYS 14 H CYS 14 -6.242 1.778 0.150
92 HA CYS 14 HA CYS 14 -5.325 0.587 2.557
93 HB2 CYS 14 HB2 CYS 14 -3.181 1.411 0.586
94 HB3 CYS 14 HB3 CYS 14 -2.953 1.196 2.338
95 H ALA 15 H ALA 15 -3.817 2.435 3.646
96 HA ALA 15 HA ALA 15 -5.272 4.829 3.770
97 HB1 ALA 15 HB1 ALA 15 -2.363 4.296 4.530
98 HB2 ALA 15 HB2 ALA 15 -3.337 5.697 5.036
99 HB3 ALA 15 HB3 ALA 15 -3.766 4.065 5.599
100 H HIS 16 H HIS 16 -2.279 3.709 2.092
101 HA HIS 16 HA HIS 16 -2.048 6.178 0.552
102 HB2 HIS 16 HB2 HIS 16 -0.137 3.867 0.827
103 HB3 HIS 16 HB3 HIS 16 0.079 5.280 -0.232
104 HD1 HIS 16 HD1 HIS 16 0.437 7.572 0.989
105 HD2 HIS 16 HD2 HIS 16 0.319 4.231 3.532
106 HE1 HIS 16 HE1 HIS 16 1.328 8.335 3.286
107 H SER 17 H SER 17 -1.124 5.301 -1.865
108 HA SER 17 HA SER 17 -3.487 4.663 -3.205
109 HB2 SER 17 HB2 SER 17 -2.078 4.613 -5.192
110 HB3 SER 17 HB3 SER 17 -1.680 6.013 -4.167
111 HG SER 17 HG SER 17 0.178 4.887 -4.894
112 H MET 18 H MET 18 -0.805 2.334 -2.541
113 HA MET 18 HA MET 18 -2.212 0.416 -4.211
114 HB2 MET 18 HB2 MET 18 0.381 0.124 -2.727
115 HB3 MET 18 HB3 MET 18 -0.338 -1.028 -3.877
116 HG2 MET 18 HG2 MET 18 0.403 1.840 -4.552
117 HG3 MET 18 HG3 MET 18 1.425 0.421 -4.885
118 HE1 MET 18 HE1 MET 18 -0.754 -1.760 -5.656
119 HE2 MET 18 HE2 MET 18 -0.744 -1.603 -7.428
120 HE3 MET 18 HE3 MET 18 0.785 -1.531 -6.520
121 H THR 19 H THR 19 -1.796 -1.968 -3.409
122 HA THR 19 HA THR 19 -4.050 -2.466 -1.746
123 HB THR 19 HB THR 19 -3.499 -4.816 -2.119
124 HG1 THR 19 HG1 THR 19 -1.727 -5.267 -3.480
125 HG21 THR 19 1HG2 THR 19 -3.356 -3.131 -4.645
126 HG22 THR 19 2HG2 THR 19 -3.809 -4.850 -4.557
127 HG23 THR 19 3HG2 THR 19 -4.842 -3.618 -3.795
128 H PHE 20 H PHE 20 -3.912 -4.203 -0.017
129 HA PHE 20 HA PHE 20 -2.375 -3.355 2.143
130 HB2 PHE 20 HB2 PHE 20 -3.805 -5.988 1.662
131 HB3 PHE 20 HB3 PHE 20 -3.016 -5.538 3.192
132 HD1 PHE 20 HD1 PHE 20 -3.687 -3.137 4.101
133 HD2 PHE 20 HD2 PHE 20 -6.070 -5.494 1.413
134 HE1 PHE 20 HE1 PHE 20 -5.700 -1.847 4.758
135 HE2 PHE 20 HE2 PHE 20 -8.088 -4.217 2.082
136 HZ PHE 20 HZ PHE 20 -7.902 -2.389 3.750
137 H GLU 21 H GLU 21 -1.900 -5.958 -0.278
138 HA GLU 21 HA GLU 21 0.277 -7.280 0.843
139 HB2 GLU 21 HB2 GLU 21 -0.385 -6.791 -2.106
140 HB3 GLU 21 HB3 GLU 21 0.679 -8.065 -1.466
141 HG2 GLU 21 HG2 GLU 21 -1.233 -9.068 -0.281
142 HG3 GLU 21 HG3 GLU 21 -2.297 -7.793 -0.919
143 H GLU 22 H GLU 22 -0.032 -4.372 -1.266
144 HA GLU 22 HA GLU 22 2.845 -4.046 -1.496
145 HB2 GLU 22 HB2 GLU 22 0.513 -2.461 -2.661
146 HB3 GLU 22 HB3 GLU 22 2.233 -2.280 -3.084
147 HG2 GLU 22 HG2 GLU 22 0.600 -4.802 -3.516
148 HG3 GLU 22 HG3 GLU 22 0.942 -3.576 -4.760
149 H CYS 23 H CYS 23 0.836 -3.380 1.081
150 HA CYS 23 HA CYS 23 1.056 -0.636 1.501
151 HB2 CYS 23 HB2 CYS 23 0.843 -2.892 3.477
152 HB3 CYS 23 HB3 CYS 23 1.114 -1.210 3.989
153 HA PRO 24 HA PRO 24 5.165 -1.244 3.856
154 HB2 PRO 24 HB2 PRO 24 6.936 -3.130 3.024
155 HB3 PRO 24 HB3 PRO 24 5.821 -3.356 4.393
156 HG2 PRO 24 HG2 PRO 24 5.516 -4.283 1.504
157 HG3 PRO 24 HG3 PRO 24 5.147 -5.182 2.995
158 HD2 PRO 24 HD2 PRO 24 3.174 -3.941 1.567
159 HD3 PRO 24 HD3 PRO 24 3.117 -4.042 3.343
160 H LYS 25 H LYS 25 4.971 -2.069 0.386
161 HA LYS 25 HA LYS 25 7.278 -0.665 -0.444
162 HB2 LYS 25 HB2 LYS 25 4.761 -1.441 -1.943
163 HB3 LYS 25 HB3 LYS 25 6.258 -0.821 -2.676
164 HG2 LYS 25 HG2 LYS 25 7.520 -2.729 -1.761
165 HG3 LYS 25 HG3 LYS 25 6.049 -3.338 -0.968
166 HD2 LYS 25 HD2 LYS 25 4.948 -3.546 -3.184
167 HD3 LYS 25 HD3 LYS 25 6.433 -2.959 -3.970
168 HE2 LYS 25 HE2 LYS 25 7.685 -4.883 -3.097
169 HE3 LYS 25 HE3 LYS 25 6.236 -5.457 -2.237
170 HZ1 LYS 25 HZ1 LYS 25 6.504 -5.169 -5.141
171 HZ2 LYS 25 HZ2 LYS 25 6.545 -6.586 -4.301
172 HZ3 LYS 25 HZ3 LYS 25 5.158 -5.693 -4.346
173 H CYS 26 H CYS 26 3.824 0.219 -0.089
174 HA CYS 26 HA CYS 26 3.978 2.820 -1.136
175 HB2 CYS 26 HB2 CYS 26 2.089 1.478 0.837
176 HB3 CYS 26 HB3 CYS 26 1.914 3.183 0.362
177 HG CYS 26 HG CYS 26 0.249 1.706 -0.994
178 H SER 27 H SER 27 5.326 1.500 1.762
179 HA SER 27 HA SER 27 6.228 2.253 3.600
180 HB2 SER 27 HB2 SER 27 6.149 4.989 2.297
181 HB3 SER 27 HB3 SER 27 7.070 4.527 3.748
182 HG SER 27 HG SER 27 8.322 4.426 1.831
183 H ALA 28 H ALA 28 3.485 1.755 3.389
184 HA ALA 28 HA ALA 28 1.825 3.716 4.523
185 HB1 ALA 28 HB1 ALA 28 1.549 0.701 4.613
186 HB2 ALA 28 HB2 ALA 28 0.297 1.892 5.036
187 HB3 ALA 28 HB3 ALA 28 0.889 1.780 3.361
188 H LEU 29 H LEU 29 3.886 1.124 5.938
189 HA LEU 29 HA LEU 29 2.954 1.322 8.567
190 HB2 LEU 29 HB2 LEU 29 5.767 0.642 7.582
191 HB3 LEU 29 HB3 LEU 29 5.060 0.210 9.157
192 HG LEU 29 HG LEU 29 4.046 -0.745 6.450
193 HD11 LEU 29 1HD1 LEU 29 5.596 -2.163 8.664
194 HD12 LEU 29 2HD1 LEU 29 4.964 -2.929 7.187
195 HD13 LEU 29 3HD1 LEU 29 6.247 -1.700 7.073
196 HD21 LEU 29 3HD2 LEU 29 3.256 -1.532 9.281
197 HD22 LEU 29 1HD2 LEU 29 2.265 -0.581 8.149
198 HD23 LEU 29 2HD2 LEU 29 2.653 -2.278 7.782
199 H GLN 30 H GLN 30 5.644 2.964 6.812
200 HA GLN 30 HA GLN 30 6.604 4.484 8.989
201 HB2 GLN 30 HB2 GLN 30 6.859 5.030 6.018
202 HB3 GLN 30 HB3 GLN 30 7.766 5.816 7.320
203 HG2 GLN 30 HG2 GLN 30 8.695 3.583 7.965
204 HG3 GLN 30 HG3 GLN 30 7.892 2.880 6.543
205 HE21 GLN 30 1HE2 GLN 30 10.751 2.907 7.023
206 HE22 GLN 30 2HE2 GLN 30 11.490 3.871 5.763
207 H TYR 31 H TYR 31 4.158 5.185 6.458
208 HA TYR 31 HA TYR 31 2.701 6.826 6.131
209 HB2 TYR 31 HB2 TYR 31 3.090 7.642 8.981
210 HB3 TYR 31 HB3 TYR 31 2.000 8.425 7.822
211 HD1 TYR 31 HD2 TYR 31 0.301 6.970 6.579
212 HD2 TYR 31 HD1 TYR 31 2.359 5.683 10.130
213 HE1 TYR 31 HE2 TYR 31 -1.422 5.225 6.933
214 HE2 TYR 31 HE1 TYR 31 0.638 3.936 10.498
215 HH TYR 31 HH TYR 31 -2.136 3.495 8.259
216 H ARG 32 H ARG 32 5.701 7.025 5.749
217 HA ARG 32 HA ARG 32 5.898 9.907 5.293
218 HB2 ARG 32 HB2 ARG 32 7.571 8.941 6.920
219 HB3 ARG 32 HB3 ARG 32 8.047 7.751 5.696
220 HG2 ARG 32 HG2 ARG 32 8.792 9.612 4.209
221 HG3 ARG 32 HG3 ARG 32 8.320 10.781 5.466
222 HD2 ARG 32 HD2 ARG 32 10.717 10.338 5.649
223 HD3 ARG 32 HD3 ARG 32 9.887 9.646 7.056
224 HE ARG 32 HE ARG 32 10.055 7.672 5.012
225 HH11 ARG 32 1HH1 ARG 32 12.137 9.416 7.293
226 HH12 ARG 32 2HH1 ARG 32 13.332 8.140 7.365
227 HH21 ARG 32 1HH2 ARG 32 11.629 6.019 5.111
228 HH22 ARG 32 2HH2 ARG 32 13.045 6.210 6.121
229 H ASN 33 H ASN 33 5.818 10.166 2.934
230 HA ASN 33 HA ASN 33 5.534 7.760 1.375
231 HB2 ASN 33 HB2 ASN 33 4.201 9.908 1.094
232 HB3 ASN 33 HB3 ASN 33 5.649 10.605 0.346
233 HD21 ASN 33 1HD2 ASN 33 2.800 9.634 -0.564
234 HD22 ASN 33 2HD2 ASN 33 3.144 8.720 -2.017
235 H GLY 34 H GLY 34 6.951 6.683 0.279
236 HA2 GLY 34 HA2 GLY 34 9.693 7.093 0.461
237 HA3 GLY 34 HA3 GLY 34 8.839 5.954 -0.578
238 H PHE 35 H PHE 35 7.352 7.800 -2.217
239 HA PHE 35 HA PHE 35 9.557 8.599 -3.939
240 HB2 PHE 35 HB2 PHE 35 7.908 9.259 -5.596
241 HB3 PHE 35 HB3 PHE 35 8.104 7.545 -5.232
242 HD1 PHE 35 HD1 PHE 35 5.866 10.466 -4.711
243 HD2 PHE 35 HD2 PHE 35 6.327 6.206 -4.438
244 HE1 PHE 35 HE1 PHE 35 3.421 10.226 -4.350
245 HE2 PHE 35 HE2 PHE 35 3.885 5.961 -4.080
246 HZ PHE 35 HZ PHE 35 2.430 7.971 -4.039
247 H TYR 36 H TYR 36 9.670 10.537 -5.071
248 HA TYR 36 HA TYR 36 10.071 12.714 -5.199
249 HB2 TYR 36 HB2 TYR 36 8.176 13.267 -2.931
250 HB3 TYR 36 HB3 TYR 36 9.023 14.449 -3.933
251 HD1 TYR 36 HD2 TYR 36 8.641 14.199 -6.543
252 HD2 TYR 36 HD1 TYR 36 6.018 12.634 -3.516
253 HE1 TYR 36 HE2 TYR 36 6.785 14.152 -8.186
254 HE2 TYR 36 HE1 TYR 36 4.154 12.582 -5.148
255 HH TYR 36 HH TYR 36 3.497 13.009 -7.306
256 H LEU 37 H LEU 37 12.143 11.964 -4.615
257 HA LEU 37 HA LEU 37 13.136 11.532 -2.047
258 HB2 LEU 37 HB2 LEU 37 14.296 10.794 -4.103
259 HB3 LEU 37 HB3 LEU 37 14.479 12.474 -4.630
260 HG LEU 37 HG LEU 37 15.934 12.938 -2.674
261 HD11 LEU 37 1HD1 LEU 37 15.569 9.958 -2.146
262 HD12 LEU 37 2HD1 LEU 37 16.786 10.990 -1.360
263 HD13 LEU 37 3HD1 LEU 37 15.058 11.296 -1.084
264 HD21 LEU 37 3HD2 LEU 37 16.762 10.513 -4.319
265 HD22 LEU 37 1HD2 LEU 37 16.904 12.213 -4.824
266 HD23 LEU 37 2HD2 LEU 37 17.861 11.610 -3.451
267 H LEU 38 H LEU 38 13.078 14.529 -4.123
268 HA LEU 38 HA LEU 38 14.381 15.968 -1.951
269 HB2 LEU 38 HB2 LEU 38 13.406 16.979 -4.645
270 HB3 LEU 38 HB3 LEU 38 14.317 17.908 -3.442
271 HG LEU 38 HG LEU 38 15.304 15.417 -4.898
272 HD11 LEU 38 1HD1 LEU 38 16.057 18.363 -5.137
273 HD12 LEU 38 2HD1 LEU 38 16.821 17.019 -6.017
274 HD13 LEU 38 3HD1 LEU 38 15.118 17.428 -6.325
275 HD21 LEU 38 3HD2 LEU 38 16.691 17.286 -2.925
276 HD22 LEU 38 1HD2 LEU 38 16.299 15.570 -2.658
277 HD23 LEU 38 2HD2 LEU 38 17.501 16.023 -3.880
278 H LYS 39 H LYS 39 12.854 15.978 -0.292
279 HA LYS 39 HA LYS 39 10.252 17.167 -0.977
280 HB2 LYS 39 HB2 LYS 39 11.035 15.739 1.568
281 HB3 LYS 39 HB3 LYS 39 9.500 16.567 1.253
282 HG2 LYS 39 HG2 LYS 39 9.118 15.002 -0.679
283 HG3 LYS 39 HG3 LYS 39 10.592 14.128 -0.174
284 HD2 LYS 39 HD2 LYS 39 9.622 13.691 2.032
285 HD3 LYS 39 HD3 LYS 39 8.188 14.656 1.618
286 HE2 LYS 39 HE2 LYS 39 7.666 13.065 -0.219
287 HE3 LYS 39 HE3 LYS 39 9.060 12.074 0.263
288 HZ1 LYS 39 HZ1 LYS 39 7.023 11.274 1.212
289 HZ2 LYS 39 HZ2 LYS 39 6.748 12.721 1.957
290 HZ3 LYS 39 HZ3 LYS 39 8.038 11.796 2.401
291 H TYR 40 H TYR 40 10.343 19.278 -0.765
292 HA TYR 40 HA TYR 40 12.358 20.673 0.667
293 HB2 TYR 40 HB2 TYR 40 9.742 21.655 -0.538
294 HB3 TYR 40 HB3 TYR 40 11.128 22.654 -0.056
295 HD1 TYR 40 HD2 TYR 40 13.272 22.509 -1.314
296 HD2 TYR 40 HD1 TYR 40 9.785 20.323 -2.559
297 HE1 TYR 40 HE2 TYR 40 14.366 22.011 -3.481
298 HE2 TYR 40 HE1 TYR 40 10.871 19.812 -4.728
299 HH TYR 40 HH TYR 40 12.757 20.041 -6.016
300 H ASP 41 H ASP 41 8.923 19.812 1.218
301 HA ASP 41 HA ASP 41 8.470 21.310 3.534
302 HB2 ASP 41 HB2 ASP 41 7.231 18.642 2.740
303 HB3 ASP 41 HB3 ASP 41 6.576 19.814 3.902
304 H GLU 42 H GLU 42 9.632 17.878 3.092
305 HA GLU 42 HA GLU 42 9.843 17.613 5.979
306 HB2 GLU 42 HB2 GLU 42 10.480 15.592 3.866
307 HB3 GLU 42 HB3 GLU 42 10.633 15.381 5.621
308 HG2 GLU 42 HG2 GLU 42 8.213 15.888 5.879
309 HG3 GLU 42 HG3 GLU 42 8.068 16.028 4.116
310 H GLU 43 H GLU 43 11.638 17.161 7.149
311 HA GLU 43 HA GLU 43 13.932 18.675 6.213
312 HB2 GLU 43 HB2 GLU 43 13.215 17.530 8.950
313 HB3 GLU 43 HB3 GLU 43 14.641 18.524 8.580
314 HG2 GLU 43 HG2 GLU 43 13.159 20.371 7.846
315 HG3 GLU 43 HG3 GLU 43 11.738 19.388 8.250
316 H TRP 44 H TRP 44 15.713 17.845 5.550
317 HA TRP 44 HA TRP 44 17.325 16.453 4.917
318 HB2 TRP 44 HB2 TRP 44 16.978 15.352 7.726
319 HB3 TRP 44 HB3 TRP 44 18.389 15.140 6.687
320 HD1 TRP 44 HD1 TRP 44 16.760 17.602 9.029
321 HE1 TRP 44 HE1 TRP 44 18.278 19.614 9.407
322 HE3 TRP 44 HE3 TRP 44 20.261 16.636 5.440
323 HZ2 TRP 44 HZ2 TRP 44 20.724 20.689 8.274
324 HZ3 TRP 44 HZ3 TRP 44 22.168 18.171 5.104
325 HH2 TRP 44 HH2 TRP 44 22.411 20.198 6.513
326 H TYR 45 H TYR 45 14.778 15.580 3.957
327 HA TYR 45 HA TYR 45 14.365 12.840 4.519
328 HB2 TYR 45 HB2 TYR 45 12.613 14.330 3.699
329 HB3 TYR 45 HB3 TYR 45 13.436 14.451 2.140
330 HD1 TYR 45 HD1 TYR 45 12.455 11.707 4.535
331 HD2 TYR 45 HD2 TYR 45 12.528 13.119 0.488
332 HE1 TYR 45 HE1 TYR 45 11.423 9.584 3.772
333 HE2 TYR 45 HE2 TYR 45 11.529 10.989 -0.296
334 HH TYR 45 HH TYR 45 10.742 8.918 0.327
335 HA PRO 46 HA PRO 46 16.899 11.721 0.642
336 HB2 PRO 46 HB2 PRO 46 18.937 13.933 0.640
337 HB3 PRO 46 HB3 PRO 46 18.257 13.031 -0.759
338 HG2 PRO 46 HG2 PRO 46 17.407 15.553 -0.213
339 HG3 PRO 46 HG3 PRO 46 16.229 14.277 -0.667
340 HD2 PRO 46 HD2 PRO 46 16.902 15.300 2.102
341 HD3 PRO 46 HD3 PRO 46 15.296 14.963 1.382
342 H GLU 47 H GLU 47 18.476 13.550 3.283
343 HA GLU 47 HA GLU 47 20.708 11.857 3.583
344 HB2 GLU 47 HB2 GLU 47 19.448 13.883 5.420
345 HB3 GLU 47 HB3 GLU 47 20.877 12.922 5.814
346 HG2 GLU 47 HG2 GLU 47 21.727 14.956 5.002
347 HG3 GLU 47 HG3 GLU 47 21.963 13.787 3.699
348 H GLU 48 H GLU 48 17.419 11.803 5.069
349 HA GLU 48 HA GLU 48 17.984 9.782 6.931
350 HB2 GLU 48 HB2 GLU 48 15.408 10.536 5.527
351 HB3 GLU 48 HB3 GLU 48 15.515 9.268 6.763
352 HG2 GLU 48 HG2 GLU 48 16.279 10.846 8.427
353 HG3 GLU 48 HG3 GLU 48 16.405 12.136 7.227
354 H LEU 49 H LEU 49 16.830 9.668 3.489
355 HA LEU 49 HA LEU 49 16.528 6.847 3.446
356 HB2 LEU 49 HB2 LEU 49 16.950 8.723 1.129
357 HB3 LEU 49 HB3 LEU 49 16.498 7.011 1.032
358 HG LEU 49 HG LEU 49 14.867 9.201 2.392
359 HD11 LEU 49 1HD1 LEU 49 14.458 7.644 -0.196
360 HD12 LEU 49 2HD1 LEU 49 13.312 8.812 0.500
361 HD13 LEU 49 3HD1 LEU 49 14.904 9.360 -0.059
362 HD21 LEU 49 3HD2 LEU 49 14.283 6.243 1.925
363 HD22 LEU 49 1HD2 LEU 49 14.500 7.042 3.503
364 HD23 LEU 49 2HD2 LEU 49 13.098 7.442 2.495
365 H LEU 50 H LEU 50 19.325 8.976 2.605
366 HA LEU 50 HA LEU 50 20.855 6.918 1.433
367 HB2 LEU 50 HB2 LEU 50 21.704 9.506 2.759
368 HB3 LEU 50 HB3 LEU 50 22.821 8.393 1.947
369 HG LEU 50 HG LEU 50 20.394 9.596 0.563
370 HD11 LEU 50 1HD1 LEU 50 23.296 10.527 0.559
371 HD12 LEU 50 2HD1 LEU 50 21.989 11.175 -0.460
372 HD13 LEU 50 3HD1 LEU 50 21.926 11.387 1.303
373 HD21 LEU 50 3HD2 LEU 50 22.926 8.244 -0.456
374 HD22 LEU 50 1HD2 LEU 50 21.287 7.550 -0.479
375 HD23 LEU 50 2HD2 LEU 50 21.663 8.970 -1.476
376 H THR 51 H THR 51 22.032 5.359 2.170
377 HA THR 51 HA THR 51 22.093 4.606 4.893
378 HB THR 51 HB THR 51 23.703 3.671 2.494
379 HG1 THR 51 HG1 THR 51 21.429 3.462 2.303
380 HG21 THR 51 1HG2 THR 51 23.153 2.383 5.204
381 HG22 THR 51 2HG2 THR 51 23.969 1.594 3.834
382 HG23 THR 51 3HG2 THR 51 24.726 2.990 4.633
383 H ASP 52 H ASP 52 24.484 6.064 2.594
384 HA ASP 52 HA ASP 52 26.246 6.660 4.873
385 HB2 ASP 52 HB2 ASP 52 27.028 6.312 1.949
386 HB3 ASP 52 HB3 ASP 52 28.110 6.760 3.286
387 H GLY 53 H GLY 53 26.616 8.835 5.171
388 HA2 GLY 53 HA2 GLY 53 25.361 10.679 3.282
389 HA3 GLY 53 HA3 GLY 53 25.746 10.976 4.980
390 H GLU 54 H GLU 54 28.355 9.374 3.297
391 HA GLU 54 HA GLU 54 30.149 11.452 3.773
392 HB2 GLU 54 HB2 GLU 54 30.329 9.163 1.778
393 HB3 GLU 54 HB3 GLU 54 31.679 10.191 2.307
394 HG2 GLU 54 HG2 GLU 54 31.396 9.425 4.622
395 HG3 GLU 54 HG3 GLU 54 29.981 8.459 4.152
396 H ASP 55 H ASP 55 28.517 10.516 0.644
397 HA ASP 55 HA ASP 55 29.899 12.492 -0.854
398 HB2 ASP 55 HB2 ASP 55 27.216 11.200 -1.460
399 HB3 ASP 55 HB3 ASP 55 28.263 12.071 -2.599
400 H ASP 56 H ASP 56 26.621 12.406 0.709
401 HA ASP 56 HA ASP 56 26.286 15.220 -0.035
402 HB2 ASP 56 HB2 ASP 56 24.289 13.303 1.155
403 HB3 ASP 56 HB3 ASP 56 24.004 15.013 0.783
404 H VAL 57 H VAL 57 28.320 15.476 1.489
405 HA VAL 57 HA VAL 57 27.113 16.755 3.815
406 HB VAL 57 HB VAL 57 27.867 14.506 4.635
407 HG11 VAL 57 1HG1 VAL 57 30.630 15.743 4.326
408 HG12 VAL 57 2HG1 VAL 57 30.228 14.151 5.008
409 HG13 VAL 57 3HG1 VAL 57 29.990 14.471 3.274
410 HG21 VAL 57 3HG2 VAL 57 29.176 16.974 5.835
411 HG22 VAL 57 1HG2 VAL 57 27.482 16.481 6.073
412 HG23 VAL 57 2HG2 VAL 57 28.804 15.455 6.674
413 H PHE 58 H PHE 58 28.514 18.488 4.569
414 HA PHE 58 HA PHE 58 30.030 19.719 2.479
415 HB2 PHE 58 HB2 PHE 58 29.697 20.530 5.387
416 HB3 PHE 58 HB3 PHE 58 30.388 21.516 4.090
417 HD1 PHE 58 HD1 PHE 58 27.281 20.038 5.446
418 HD2 PHE 58 HD2 PHE 58 28.982 22.581 2.425
419 HE1 PHE 58 HE1 PHE 58 25.015 20.871 4.871
420 HE2 PHE 58 HE2 PHE 58 26.717 23.414 1.852
421 HZ PHE 58 HZ PHE 58 24.733 22.559 3.074
422 H ASP 59 H ASP 59 32.338 20.342 2.737
423 HA ASP 59 HA ASP 59 33.960 18.173 3.454
424 HB2 ASP 59 HB2 ASP 59 34.854 21.015 3.013
425 HB3 ASP 59 HB3 ASP 59 35.852 19.548 2.984
426 HA PRO 60 HA PRO 60 35.518 20.335 7.341
427 HB2 PRO 60 HB2 PRO 60 33.839 21.915 8.827
428 HB3 PRO 60 HB3 PRO 60 34.955 22.548 7.567
429 HG2 PRO 60 HG2 PRO 60 32.015 21.870 7.292
430 HG3 PRO 60 HG3 PRO 60 32.860 23.360 6.750
431 HD2 PRO 60 HD2 PRO 60 32.317 21.318 5.046
432 HD3 PRO 60 HD3 PRO 60 33.861 22.219 4.925
433 H ASP 61 H ASP 61 32.215 19.008 7.082
434 HA ASP 61 HA ASP 61 32.703 17.795 9.729
435 HB2 ASP 61 HB2 ASP 61 30.082 18.047 8.190
436 HB3 ASP 61 HB3 ASP 61 30.299 17.281 9.777
437 H LEU 62 H LEU 62 33.328 15.661 9.675
438 HA LEU 62 HA LEU 62 32.538 14.151 7.263
439 HB2 LEU 62 HB2 LEU 62 35.003 13.662 8.931
440 HB3 LEU 62 HB3 LEU 62 34.438 12.694 7.555
441 HG LEU 62 HG LEU 62 35.196 15.650 7.435
442 HD11 LEU 62 1HD1 LEU 62 36.663 13.155 6.482
443 HD12 LEU 62 2HD1 LEU 62 37.173 14.835 6.185
444 HD13 LEU 62 3HD1 LEU 62 37.139 14.198 7.843
445 HD21 LEU 62 3HD2 LEU 62 34.495 13.642 5.248
446 HD22 LEU 62 1HD2 LEU 62 33.532 15.064 5.718
447 HD23 LEU 62 2HD2 LEU 62 35.124 15.283 4.971
448 H ASP 63 H ASP 63 31.083 12.733 7.601
449 HA ASP 63 HA ASP 63 29.966 12.063 10.061
450 HB2 ASP 63 HB2 ASP 63 29.785 10.765 7.322
451 HB3 ASP 63 HB3 ASP 63 28.877 10.201 8.723
452 H MET 64 H MET 64 32.368 10.328 7.985
453 HA MET 64 HA MET 64 32.385 7.917 9.388
454 HB2 MET 64 HB2 MET 64 34.672 9.296 7.923
455 HB3 MET 64 HB3 MET 64 34.645 7.600 8.450
456 HG2 MET 64 HG2 MET 64 32.698 7.170 7.010
457 HG3 MET 64 HG3 MET 64 32.675 8.867 6.512
458 HE1 MET 64 HE1 MET 64 34.650 5.495 6.473
459 HE2 MET 64 HE2 MET 64 36.052 5.870 5.444
460 HE3 MET 64 HE3 MET 64 35.911 6.610 7.055
461 H GLU 65 H GLU 65 34.420 10.880 9.797
462 HA GLU 65 HA GLU 65 36.042 9.790 11.831
463 HB2 GLU 65 HB2 GLU 65 35.523 12.681 11.158
464 HB3 GLU 65 HB3 GLU 65 36.793 12.045 12.226
465 HG2 GLU 65 HG2 GLU 65 37.682 10.697 10.323
466 HG3 GLU 65 HG3 GLU 65 36.469 11.436 9.259
467 H VAL 66 H VAL 66 32.966 11.703 12.110
468 HA VAL 66 HA VAL 66 33.406 11.466 15.020
469 HB VAL 66 HB VAL 66 31.453 13.229 13.525
470 HG11 VAL 66 1HG1 VAL 66 32.328 13.116 16.447
471 HG12 VAL 66 2HG1 VAL 66 31.196 14.294 15.742
472 HG13 VAL 66 3HG1 VAL 66 30.756 12.575 15.820
473 HG21 VAL 66 3HG2 VAL 66 34.126 13.856 14.852
474 HG22 VAL 66 1HG2 VAL 66 33.782 13.923 13.107
475 HG23 VAL 66 2HG2 VAL 66 32.984 15.061 14.214
476 H VAL 67 H VAL 67 32.358 9.925 16.049
477 HA VAL 67 HA VAL 67 30.522 8.146 14.845
478 HB VAL 67 HB VAL 67 31.272 8.602 17.743
479 HG11 VAL 67 1HG1 VAL 67 29.864 6.286 16.347
480 HG12 VAL 67 2HG1 VAL 67 30.426 6.282 18.036
481 HG13 VAL 67 3HG1 VAL 67 29.138 7.397 17.535
482 HG21 VAL 67 3HG2 VAL 67 32.280 6.635 15.641
483 HG22 VAL 67 1HG2 VAL 67 33.196 8.004 16.315
484 HG23 VAL 67 2HG2 VAL 67 32.744 6.639 17.359
485 H PHE 68 H PHE 68 30.138 10.960 17.092
486 HA PHE 68 HA PHE 68 27.295 10.550 17.295
487 HB2 PHE 68 HB2 PHE 68 28.979 12.888 18.198
488 HB3 PHE 68 HB3 PHE 68 27.259 12.637 18.535
489 HD1 PHE 68 HD1 PHE 68 30.679 11.313 19.148
490 HD2 PHE 68 HD2 PHE 68 26.526 11.120 20.243
491 HE1 PHE 68 HE1 PHE 68 31.265 9.933 21.126
492 HE2 PHE 68 HE2 PHE 68 27.113 9.747 22.224
493 HZ PHE 68 HZ PHE 68 29.482 9.152 22.664
494 H GLU 69 H GLU 69 25.669 11.855 16.556
495 HA GLU 69 HA GLU 69 24.477 12.822 14.941
496 HB2 GLU 69 HB2 GLU 69 26.694 14.859 14.895
497 HB3 GLU 69 HB3 GLU 69 25.044 15.045 14.260
498 HG2 GLU 69 HG2 GLU 69 24.129 14.662 16.527
499 HG3 GLU 69 HG3 GLU 69 25.777 14.489 17.165
500 H THR 70 H THR 70 25.845 10.600 13.969
501 HA THR 70 HA THR 70 27.021 11.328 11.441
502 HB THR 70 HB THR 70 26.100 8.660 12.528
503 HG1 THR 70 HG1 THR 70 27.934 9.626 13.508
504 HG21 THR 70 1HG2 THR 70 27.586 9.393 9.980
505 HG22 THR 70 2HG2 THR 70 27.412 7.740 10.610
506 HG23 THR 70 3HG2 THR 70 25.978 8.646 10.083
507 H GLN 71 H GLN 71 25.822 11.566 9.549
508 HA GLN 71 HA GLN 71 22.979 11.789 9.716
509 HB2 GLN 71 HB2 GLN 71 24.693 11.667 7.207
510 HB3 GLN 71 HB3 GLN 71 23.023 12.237 7.332
511 HG2 GLN 71 HG2 GLN 71 23.787 14.124 8.749
512 HG3 GLN 71 HG3 GLN 71 25.463 13.549 8.592
513 HE21 GLN 71 1HE2 GLN 71 26.116 13.095 6.166
514 HE22 GLN 71 2HE2 GLN 71 25.668 14.345 5.028
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 -14.945 -8.318 0.675
2 H2 GLY 1 H2 GLY 1 -15.701 -9.623 -0.096
3 H3 GLY 1 H3 GLY 1 -14.113 -9.779 0.450
4 HA2 GLY 1 HA3 GLY 1 -15.115 -8.116 -1.792
5 HA3 GLY 1 HA2 GLY 1 -13.468 -7.978 -1.133
6 H SER 2 H SER 2 -12.166 -8.862 -2.682
7 HA SER 2 HA SER 2 -12.959 -11.237 -4.108
8 HB2 SER 2 HB2 SER 2 -11.620 -9.406 -5.190
9 HB3 SER 2 HB3 SER 2 -10.265 -9.836 -4.118
10 HG SER 2 HG SER 2 -10.172 -10.896 -6.145
11 H THR 3 H THR 3 -11.290 -13.110 -4.176
12 HA THR 3 HA THR 3 -10.855 -13.980 -1.445
13 HB THR 3 HB THR 3 -10.314 -15.414 -4.041
14 HG1 THR 3 HG1 THR 3 -12.521 -14.884 -3.679
15 HG21 THR 3 1HG2 THR 3 -10.556 -16.368 -1.157
16 HG22 THR 3 2HG2 THR 3 -10.326 -17.407 -2.583
17 HG23 THR 3 3HG2 THR 3 -9.048 -16.269 -2.094
18 H ALA 4 H ALA 4 -9.393 -12.152 -1.122
19 HA ALA 4 HA ALA 4 -6.634 -12.820 -1.772
20 HB1 ALA 4 HB1 ALA 4 -7.830 -10.019 -1.965
21 HB2 ALA 4 HB2 ALA 4 -6.105 -10.433 -2.089
22 HB3 ALA 4 HB3 ALA 4 -7.244 -10.986 -3.339
23 H MET 5 H MET 5 -5.220 -11.829 -0.087
24 HA MET 5 HA MET 5 -6.308 -12.050 2.502
25 HB2 MET 5 HB2 MET 5 -4.174 -11.368 3.343
26 HB3 MET 5 HB3 MET 5 -3.923 -12.507 2.000
27 HG2 MET 5 HG2 MET 5 -3.588 -10.570 0.459
28 HG3 MET 5 HG3 MET 5 -3.758 -9.466 1.844
29 HE1 MET 5 HE1 MET 5 -1.578 -11.878 -0.178
30 HE2 MET 5 HE2 MET 5 -0.235 -12.268 0.922
31 HE3 MET 5 HE3 MET 5 -1.871 -12.885 1.260
32 H ALA 6 H ALA 6 -6.881 -10.665 4.014
33 HA ALA 6 HA ALA 6 -7.876 -8.901 4.924
34 HB1 ALA 6 HB1 ALA 6 -5.747 -7.355 3.425
35 HB2 ALA 6 HB2 ALA 6 -6.760 -6.737 4.751
36 HB3 ALA 6 HB3 ALA 6 -5.603 -8.055 5.055
37 H THR 7 H THR 7 -9.089 -9.898 2.500
38 HA THR 7 HA THR 7 -10.621 -9.438 0.955
39 HB THR 7 HB THR 7 -12.463 -8.098 1.568
40 HG1 THR 7 HG1 THR 7 -11.299 -6.438 2.628
41 HG21 THR 7 1HG2 THR 7 -11.316 -9.762 3.848
42 HG22 THR 7 2HG2 THR 7 -13.031 -9.339 3.627
43 HG23 THR 7 3HG2 THR 7 -12.215 -10.393 2.448
44 H THR 8 H THR 8 -8.320 -8.499 -0.019
45 HA THR 8 HA THR 8 -8.542 -5.753 -0.771
46 HB THR 8 HB THR 8 -6.941 -7.942 -2.095
47 HG1 THR 8 HG1 THR 8 -6.515 -7.699 0.146
48 HG21 THR 8 1HG2 THR 8 -6.600 -4.928 -2.027
49 HG22 THR 8 2HG2 THR 8 -5.493 -6.096 -2.790
50 HG23 THR 8 3HG2 THR 8 -7.144 -5.887 -3.424
51 H MET 9 H MET 9 -9.620 -4.850 -2.427
52 HA MET 9 HA MET 9 -11.377 -6.494 -4.063
53 HB2 MET 9 HB2 MET 9 -11.181 -3.547 -3.413
54 HB3 MET 9 HB3 MET 9 -12.076 -4.102 -4.847
55 HG2 MET 9 HG2 MET 9 -13.626 -3.865 -3.012
56 HG3 MET 9 HG3 MET 9 -13.419 -5.599 -3.351
57 HE1 MET 9 HE1 MET 9 -12.765 -2.621 -0.937
58 HE2 MET 9 HE2 MET 9 -11.716 -3.356 0.297
59 HE3 MET 9 HE3 MET 9 -11.103 -3.102 -1.355
60 H GLU 10 H GLU 10 -8.217 -5.470 -4.305
61 HA GLU 10 HA GLU 10 -6.696 -5.161 -5.862
62 HB2 GLU 10 HB2 GLU 10 -8.574 -6.622 -7.709
63 HB3 GLU 10 HB3 GLU 10 -6.828 -6.353 -7.924
64 HG2 GLU 10 HG2 GLU 10 -6.388 -7.593 -5.813
65 HG3 GLU 10 HG3 GLU 10 -8.134 -7.883 -5.628
66 H GLN 11 H GLN 11 -8.400 -2.965 -5.312
67 HA GLN 11 HA GLN 11 -8.156 -1.572 -7.894
68 HB2 GLN 11 HB2 GLN 11 -9.977 -0.075 -7.203
69 HB3 GLN 11 HB3 GLN 11 -10.503 -1.746 -7.521
70 HG2 GLN 11 HG2 GLN 11 -10.558 -2.198 -5.114
71 HG3 GLN 11 HG3 GLN 11 -10.002 -0.540 -4.782
72 HE21 GLN 11 1HE2 GLN 11 -12.682 -2.417 -4.710
73 HE22 GLN 11 2HE2 GLN 11 -13.914 -1.229 -5.071
74 H GLU 12 H GLU 12 -6.163 -2.039 -5.711
75 HA GLU 12 HA GLU 12 -4.668 -0.973 -4.442
76 HB2 GLU 12 HB2 GLU 12 -5.051 1.156 -6.529
77 HB3 GLU 12 HB3 GLU 12 -3.709 1.051 -5.364
78 HG2 GLU 12 HG2 GLU 12 -3.131 -1.191 -6.274
79 HG3 GLU 12 HG3 GLU 12 -4.432 -1.019 -7.476
80 H ILE 13 H ILE 13 -6.745 -1.035 -2.888
81 HA ILE 13 HA ILE 13 -6.997 1.732 -1.898
82 HB ILE 13 HB ILE 13 -8.893 0.997 -0.585
83 HG12 ILE 13 2HG1 ILE 13 -8.506 -1.366 -0.300
84 HG13 ILE 13 3HG1 ILE 13 -10.089 -1.055 -1.051
85 HG21 ILE 13 1HG2 ILE 13 -9.038 0.497 -3.581
86 HG22 ILE 13 2HG2 ILE 13 -10.420 0.880 -2.526
87 HG23 ILE 13 3HG2 ILE 13 -9.128 2.080 -2.771
88 HD11 ILE 13 3HD1 ILE 13 -9.189 -1.720 -3.224
89 HD12 ILE 13 1HD1 ILE 13 -7.606 -2.031 -2.473
90 HD13 ILE 13 2HD1 ILE 13 -9.020 -3.005 -2.006
91 H CYS 14 H CYS 14 -5.880 2.344 -0.346
92 HA CYS 14 HA CYS 14 -5.518 0.948 2.098
93 HB2 CYS 14 HB2 CYS 14 -3.018 1.419 0.458
94 HB3 CYS 14 HB3 CYS 14 -3.067 1.123 2.212
95 H ALA 15 H ALA 15 -3.867 2.465 3.458
96 HA ALA 15 HA ALA 15 -4.881 5.080 3.510
97 HB1 ALA 15 HB1 ALA 15 -2.239 4.010 4.609
98 HB2 ALA 15 HB2 ALA 15 -3.010 5.552 5.053
99 HB3 ALA 15 HB3 ALA 15 -3.792 4.010 5.477
100 H HIS 16 H HIS 16 -1.934 3.477 2.175
101 HA HIS 16 HA HIS 16 -1.068 5.901 0.798
102 HB2 HIS 16 HB2 HIS 16 0.352 3.276 1.203
103 HB3 HIS 16 HB3 HIS 16 0.953 4.652 0.248
104 HD1 HIS 16 HD1 HIS 16 1.542 6.810 1.615
105 HD2 HIS 16 HD2 HIS 16 0.499 3.485 3.958
106 HE1 HIS 16 HE1 HIS 16 2.239 7.343 4.040
107 H SER 17 H SER 17 0.002 4.931 -1.521
108 HA SER 17 HA SER 17 -2.236 4.764 -3.180
109 HB2 SER 17 HB2 SER 17 -0.604 4.508 -4.971
110 HB3 SER 17 HB3 SER 17 -0.107 5.788 -3.838
111 HG SER 17 HG SER 17 1.604 4.362 -4.376
112 H MET 18 H MET 18 -0.120 1.973 -2.293
113 HA MET 18 HA MET 18 -1.606 0.383 -4.220
114 HB2 MET 18 HB2 MET 18 0.673 -0.411 -2.434
115 HB3 MET 18 HB3 MET 18 -0.078 -1.384 -3.719
116 HG2 MET 18 HG2 MET 18 1.241 1.317 -4.156
117 HG3 MET 18 HG3 MET 18 2.032 -0.254 -4.424
118 HE1 MET 18 HE1 MET 18 -0.375 -1.985 -5.570
119 HE2 MET 18 HE2 MET 18 -0.100 -1.789 -7.317
120 HE3 MET 18 HE3 MET 18 1.282 -2.017 -6.219
121 H THR 19 H THR 19 -1.728 -2.057 -3.487
122 HA THR 19 HA THR 19 -4.237 -2.178 -2.150
123 HB THR 19 HB THR 19 -4.063 -4.579 -2.562
124 HG1 THR 19 HG1 THR 19 -2.233 -5.310 -3.707
125 HG21 THR 19 1HG2 THR 19 -3.289 -2.887 -4.965
126 HG22 THR 19 2HG2 THR 19 -4.045 -4.497 -5.019
127 HG23 THR 19 3HG2 THR 19 -4.938 -3.117 -4.337
128 H PHE 20 H PHE 20 -4.640 -3.954 -0.503
129 HA PHE 20 HA PHE 20 -3.280 -3.451 1.874
130 HB2 PHE 20 HB2 PHE 20 -5.074 -5.769 1.087
131 HB3 PHE 20 HB3 PHE 20 -4.430 -5.508 2.726
132 HD1 PHE 20 HD1 PHE 20 -4.783 -3.047 3.656
133 HD2 PHE 20 HD2 PHE 20 -7.163 -4.868 0.577
134 HE1 PHE 20 HE1 PHE 20 -6.607 -1.431 4.114
135 HE2 PHE 20 HE2 PHE 20 -8.995 -3.263 1.044
136 HZ PHE 20 HZ PHE 20 -8.715 -1.541 2.808
137 H GLU 21 H GLU 21 -2.952 -6.037 -0.591
138 HA GLU 21 HA GLU 21 -1.212 -7.759 0.733
139 HB2 GLU 21 HB2 GLU 21 -1.377 -7.085 -2.249
140 HB3 GLU 21 HB3 GLU 21 -0.649 -8.546 -1.541
141 HG2 GLU 21 HG2 GLU 21 -2.849 -9.215 -0.658
142 HG3 GLU 21 HG3 GLU 21 -3.577 -7.753 -1.364
143 H GLU 22 H GLU 22 -0.718 -4.792 -1.255
144 HA GLU 22 HA GLU 22 2.176 -4.986 -1.101
145 HB2 GLU 22 HB2 GLU 22 0.337 -2.978 -2.476
146 HB3 GLU 22 HB3 GLU 22 2.102 -3.100 -2.667
147 HG2 GLU 22 HG2 GLU 22 0.123 -5.274 -3.425
148 HG3 GLU 22 HG3 GLU 22 0.840 -4.100 -4.554
149 H CYS 23 H CYS 23 -0.011 -4.031 1.228
150 HA CYS 23 HA CYS 23 0.631 -1.384 1.805
151 HB2 CYS 23 HB2 CYS 23 -0.239 -3.612 3.626
152 HB3 CYS 23 HB3 CYS 23 0.253 -2.020 4.249
153 HA PRO 24 HA PRO 24 4.216 -2.783 4.631
154 HB2 PRO 24 HB2 PRO 24 5.721 -4.938 3.941
155 HB3 PRO 24 HB3 PRO 24 4.412 -4.992 5.145
156 HG2 PRO 24 HG2 PRO 24 4.337 -5.777 2.199
157 HG3 PRO 24 HG3 PRO 24 3.619 -6.631 3.586
158 HD2 PRO 24 HD2 PRO 24 2.105 -5.019 1.980
159 HD3 PRO 24 HD3 PRO 24 1.794 -5.151 3.727
160 H LYS 25 H LYS 25 4.345 -3.474 1.129
161 HA LYS 25 HA LYS 25 6.954 -2.491 0.668
162 HB2 LYS 25 HB2 LYS 25 4.563 -2.762 -1.174
163 HB3 LYS 25 HB3 LYS 25 6.231 -2.405 -1.680
164 HG2 LYS 25 HG2 LYS 25 7.002 -4.531 -0.705
165 HG3 LYS 25 HG3 LYS 25 5.354 -4.883 -0.136
166 HD2 LYS 25 HD2 LYS 25 4.541 -4.835 -2.482
167 HD3 LYS 25 HD3 LYS 25 6.197 -4.506 -3.043
168 HE2 LYS 25 HE2 LYS 25 6.962 -6.647 -2.112
169 HE3 LYS 25 HE3 LYS 25 5.333 -6.969 -1.472
170 HZ1 LYS 25 HZ1 LYS 25 6.034 -6.664 -4.301
171 HZ2 LYS 25 HZ2 LYS 25 5.712 -8.085 -3.532
172 HZ3 LYS 25 HZ3 LYS 25 4.522 -6.955 -3.710
173 H CYS 26 H CYS 26 3.693 -1.005 0.623
174 HA CYS 26 HA CYS 26 4.443 1.550 -0.269
175 HB2 CYS 26 HB2 CYS 26 2.100 0.524 1.380
176 HB3 CYS 26 HB3 CYS 26 2.293 2.244 0.969
177 HG CYS 26 HG CYS 26 0.591 1.127 -0.657
178 H SER 27 H SER 27 5.137 -0.063 2.709
179 HA SER 27 HA SER 27 5.903 0.468 4.681
180 HB2 SER 27 HB2 SER 27 6.483 3.205 3.512
181 HB3 SER 27 HB3 SER 27 7.105 2.548 5.045
182 HG SER 27 HG SER 27 8.565 2.269 3.300
183 H ALA 28 H ALA 28 3.168 0.480 4.100
184 HA ALA 28 HA ALA 28 1.744 2.681 5.106
185 HB1 ALA 28 HB1 ALA 28 0.931 -0.235 5.015
186 HB2 ALA 28 HB2 ALA 28 -0.137 1.152 5.332
187 HB3 ALA 28 HB3 ALA 28 0.645 0.976 3.743
188 H LEU 29 H LEU 29 3.108 -0.275 6.645
189 HA LEU 29 HA LEU 29 1.882 0.024 9.141
190 HB2 LEU 29 HB2 LEU 29 4.637 -1.130 8.490
191 HB3 LEU 29 HB3 LEU 29 3.660 -1.466 9.939
192 HG LEU 29 HG LEU 29 2.865 -2.154 7.083
193 HD11 LEU 29 1HD1 LEU 29 3.831 -3.884 9.405
194 HD12 LEU 29 2HD1 LEU 29 3.277 -4.486 7.824
195 HD13 LEU 29 3HD1 LEU 29 4.760 -3.507 7.934
196 HD21 LEU 29 3HD2 LEU 29 1.577 -2.854 9.749
197 HD22 LEU 29 1HD2 LEU 29 0.930 -1.712 8.548
198 HD23 LEU 29 2HD2 LEU 29 1.058 -3.442 8.151
199 H GLN 30 H GLN 30 4.994 1.170 7.807
200 HA GLN 30 HA GLN 30 6.063 2.473 10.045
201 HB2 GLN 30 HB2 GLN 30 7.402 1.671 8.124
202 HB3 GLN 30 HB3 GLN 30 6.581 2.830 7.062
203 HG2 GLN 30 HG2 GLN 30 8.799 3.651 7.797
204 HG3 GLN 30 HG3 GLN 30 7.486 4.709 8.338
205 HE21 GLN 30 1HE2 GLN 30 7.935 5.499 10.320
206 HE22 GLN 30 2HE2 GLN 30 8.602 4.584 11.654
207 H TYR 31 H TYR 31 3.985 3.641 7.369
208 HA TYR 31 HA TYR 31 2.777 5.471 7.053
209 HB2 TYR 31 HB2 TYR 31 3.322 6.324 9.876
210 HB3 TYR 31 HB3 TYR 31 2.237 7.108 8.717
211 HD1 TYR 31 HD2 TYR 31 0.337 5.748 7.705
212 HD2 TYR 31 HD1 TYR 31 2.565 4.458 11.148
213 HE1 TYR 31 HE2 TYR 31 -1.487 4.171 8.282
214 HE2 TYR 31 HE1 TYR 31 0.749 2.878 11.739
215 HH TYR 31 HH TYR 31 -1.309 2.038 11.165
216 H ARG 32 H ARG 32 5.958 5.371 6.886
217 HA ARG 32 HA ARG 32 6.139 8.245 6.252
218 HB2 ARG 32 HB2 ARG 32 8.420 6.360 6.939
219 HB3 ARG 32 HB3 ARG 32 8.584 8.005 6.288
220 HG2 ARG 32 HG2 ARG 32 7.300 8.868 8.272
221 HG3 ARG 32 HG3 ARG 32 7.297 7.217 8.931
222 HD2 ARG 32 HD2 ARG 32 9.125 8.413 9.953
223 HD3 ARG 32 HD3 ARG 32 9.818 7.242 8.815
224 HE ARG 32 HE ARG 32 9.441 9.732 7.480
225 HH11 ARG 32 1HH1 ARG 32 11.438 8.267 10.018
226 HH12 ARG 32 2HH1 ARG 32 12.777 9.367 9.775
227 HH21 ARG 32 1HH2 ARG 32 11.214 11.171 7.180
228 HH22 ARG 32 2HH2 ARG 32 12.649 11.012 8.168
229 H ASN 33 H ASN 33 6.292 8.454 3.964
230 HA ASN 33 HA ASN 33 6.213 6.001 2.426
231 HB2 ASN 33 HB2 ASN 33 4.647 7.807 1.906
232 HB3 ASN 33 HB3 ASN 33 6.004 8.890 1.546
233 HD21 ASN 33 1HD2 ASN 33 6.189 9.179 -0.586
234 HD22 ASN 33 2HD2 ASN 33 6.023 7.938 -1.806
235 H GLY 34 H GLY 34 7.769 4.992 1.603
236 HA2 GLY 34 HA2 GLY 34 10.453 5.672 1.792
237 HA3 GLY 34 HA3 GLY 34 9.735 4.362 0.845
238 H PHE 35 H PHE 35 8.104 5.943 -0.898
239 HA PHE 35 HA PHE 35 9.976 6.588 -2.931
240 HB2 PHE 35 HB2 PHE 35 6.970 7.047 -2.751
241 HB3 PHE 35 HB3 PHE 35 7.956 7.322 -4.190
242 HD1 PHE 35 HD2 PHE 35 8.945 5.445 -5.426
243 HD2 PHE 35 HD1 PHE 35 6.436 4.788 -1.999
244 HE1 PHE 35 HE2 PHE 35 8.700 3.060 -6.061
245 HE2 PHE 35 HE1 PHE 35 6.189 2.404 -2.635
246 HZ PHE 35 HZ PHE 35 7.321 1.539 -4.667
247 H TYR 36 H TYR 36 9.994 8.703 -4.091
248 HA TYR 36 HA TYR 36 10.320 10.897 -4.252
249 HB2 TYR 36 HB2 TYR 36 8.475 11.321 -1.896
250 HB3 TYR 36 HB3 TYR 36 9.203 12.574 -2.907
251 HD1 TYR 36 HD1 TYR 36 6.748 9.802 -2.822
252 HD2 TYR 36 HD2 TYR 36 8.367 13.057 -5.117
253 HE1 TYR 36 HE1 TYR 36 4.847 9.623 -4.404
254 HE2 TYR 36 HE2 TYR 36 6.474 12.887 -6.708
255 HH TYR 36 HH TYR 36 3.866 10.453 -6.306
256 H LEU 37 H LEU 37 12.486 10.143 -3.663
257 HA LEU 37 HA LEU 37 13.478 9.958 -1.060
258 HB2 LEU 37 HB2 LEU 37 14.889 10.733 -3.658
259 HB3 LEU 37 HB3 LEU 37 15.702 10.271 -2.149
260 HG LEU 37 HG LEU 37 13.799 8.491 -3.737
261 HD11 LEU 37 1HD1 LEU 37 16.829 8.433 -3.417
262 HD12 LEU 37 2HD1 LEU 37 15.851 7.229 -4.290
263 HD13 LEU 37 3HD1 LEU 37 15.945 8.901 -4.889
264 HD21 LEU 37 3HD2 LEU 37 15.541 7.947 -1.290
265 HD22 LEU 37 1HD2 LEU 37 13.760 7.945 -1.337
266 HD23 LEU 37 2HD2 LEU 37 14.671 6.707 -2.221
267 H LEU 38 H LEU 38 13.454 12.751 -3.441
268 HA LEU 38 HA LEU 38 14.631 14.394 -1.331
269 HB2 LEU 38 HB2 LEU 38 13.926 15.170 -4.177
270 HB3 LEU 38 HB3 LEU 38 14.790 16.159 -2.983
271 HG LEU 38 HG LEU 38 15.738 13.497 -4.139
272 HD11 LEU 38 1HD1 LEU 38 16.717 16.355 -4.543
273 HD12 LEU 38 2HD1 LEU 38 17.457 14.892 -5.236
274 HD13 LEU 38 3HD1 LEU 38 15.822 15.382 -5.735
275 HD21 LEU 38 3HD2 LEU 38 17.073 15.433 -2.197
276 HD22 LEU 38 1HD2 LEU 38 16.552 13.767 -1.842
277 HD23 LEU 38 2HD2 LEU 38 17.879 14.056 -2.983
278 H LYS 39 H LYS 39 13.041 14.766 0.178
279 HA LYS 39 HA LYS 39 10.458 15.715 -0.871
280 HB2 LYS 39 HB2 LYS 39 11.090 14.805 1.951
281 HB3 LYS 39 HB3 LYS 39 9.532 15.398 1.345
282 HG2 LYS 39 HG2 LYS 39 9.477 13.479 -0.265
283 HG3 LYS 39 HG3 LYS 39 10.994 12.885 0.465
284 HD2 LYS 39 HD2 LYS 39 9.908 12.701 2.653
285 HD3 LYS 39 HD3 LYS 39 8.402 13.372 1.989
286 HE2 LYS 39 HE2 LYS 39 8.250 11.446 0.427
287 HE3 LYS 39 HE3 LYS 39 9.726 10.763 1.142
288 HZ1 LYS 39 HZ1 LYS 39 7.220 11.304 2.576
289 HZ2 LYS 39 HZ2 LYS 39 8.587 10.663 3.236
290 HZ3 LYS 39 HZ3 LYS 39 7.751 9.820 2.091
291 H TYR 40 H TYR 40 10.348 17.869 -0.870
292 HA TYR 40 HA TYR 40 12.229 19.557 0.412
293 HB2 TYR 40 HB2 TYR 40 11.117 20.169 -1.698
294 HB3 TYR 40 HB3 TYR 40 9.542 20.147 -0.893
295 HD1 TYR 40 HD1 TYR 40 12.828 21.884 -1.047
296 HD2 TYR 40 HD2 TYR 40 8.790 21.995 0.425
297 HE1 TYR 40 HE1 TYR 40 13.143 24.253 -0.384
298 HE2 TYR 40 HE2 TYR 40 9.090 24.364 1.093
299 HH TYR 40 HH TYR 40 10.523 26.154 1.171
300 H ASP 41 H ASP 41 8.891 18.431 1.106
301 HA ASP 41 HA ASP 41 8.258 20.112 3.228
302 HB2 ASP 41 HB2 ASP 41 7.391 17.222 2.777
303 HB3 ASP 41 HB3 ASP 41 6.577 18.420 3.803
304 H GLU 42 H GLU 42 9.850 16.817 3.232
305 HA GLU 42 HA GLU 42 10.065 16.992 6.130
306 HB2 GLU 42 HB2 GLU 42 10.986 14.795 4.300
307 HB3 GLU 42 HB3 GLU 42 11.191 14.851 6.060
308 HG2 GLU 42 HG2 GLU 42 8.708 15.011 6.305
309 HG3 GLU 42 HG3 GLU 42 8.553 14.813 4.547
310 H GLU 43 H GLU 43 11.936 16.987 7.311
311 HA GLU 43 HA GLU 43 14.109 18.423 6.008
312 HB2 GLU 43 HB2 GLU 43 13.542 17.843 8.947
313 HB3 GLU 43 HB3 GLU 43 14.915 18.784 8.322
314 HG2 GLU 43 HG2 GLU 43 13.336 20.389 7.284
315 HG3 GLU 43 HG3 GLU 43 11.968 19.460 7.928
316 H TRP 44 H TRP 44 15.904 17.413 5.453
317 HA TRP 44 HA TRP 44 17.414 15.833 5.052
318 HB2 TRP 44 HB2 TRP 44 17.348 15.702 8.022
319 HB3 TRP 44 HB3 TRP 44 18.415 14.699 7.077
320 HD1 TRP 44 HD1 TRP 44 18.134 17.991 5.431
321 HE1 TRP 44 HE1 TRP 44 20.185 19.420 5.902
322 HE3 TRP 44 HE3 TRP 44 20.173 15.229 9.220
323 HZ2 TRP 44 HZ2 TRP 44 22.467 19.366 7.697
324 HZ3 TRP 44 HZ3 TRP 44 22.282 15.944 10.290
325 HH2 TRP 44 HH2 TRP 44 23.439 18.002 9.537
326 H TYR 45 H TYR 45 14.849 14.851 4.393
327 HA TYR 45 HA TYR 45 14.575 12.218 5.409
328 HB2 TYR 45 HB2 TYR 45 12.739 13.473 4.363
329 HB3 TYR 45 HB3 TYR 45 13.550 13.338 2.795
330 HD1 TYR 45 HD1 TYR 45 12.413 11.223 5.663
331 HD2 TYR 45 HD2 TYR 45 13.002 11.507 1.430
332 HE1 TYR 45 HE1 TYR 45 11.434 8.955 5.388
333 HE2 TYR 45 HE2 TYR 45 12.038 9.245 1.124
334 HH TYR 45 HH TYR 45 11.163 7.393 2.166
335 HA PRO 46 HA PRO 46 17.162 10.730 1.673
336 HB2 PRO 46 HB2 PRO 46 19.087 12.413 0.619
337 HB3 PRO 46 HB3 PRO 46 17.451 12.150 -0.076
338 HG2 PRO 46 HG2 PRO 46 18.391 14.386 1.716
339 HG3 PRO 46 HG3 PRO 46 17.351 14.493 0.262
340 HD2 PRO 46 HD2 PRO 46 16.329 14.540 2.780
341 HD3 PRO 46 HD3 PRO 46 15.463 13.710 1.449
342 H GLU 47 H GLU 47 18.635 13.132 3.909
343 HA GLU 47 HA GLU 47 21.053 11.726 4.262
344 HB2 GLU 47 HB2 GLU 47 19.687 13.791 5.958
345 HB3 GLU 47 HB3 GLU 47 21.197 12.992 6.398
346 HG2 GLU 47 HG2 GLU 47 21.885 14.980 5.391
347 HG3 GLU 47 HG3 GLU 47 22.137 13.741 4.154
348 H GLU 48 H GLU 48 17.876 11.511 5.982
349 HA GLU 48 HA GLU 48 18.789 9.779 7.991
350 HB2 GLU 48 HB2 GLU 48 16.054 10.087 6.731
351 HB3 GLU 48 HB3 GLU 48 16.406 8.976 8.065
352 HG2 GLU 48 HG2 GLU 48 17.122 10.837 9.483
353 HG3 GLU 48 HG3 GLU 48 16.827 11.984 8.165
354 H LEU 49 H LEU 49 17.424 9.168 4.701
355 HA LEU 49 HA LEU 49 17.325 6.363 4.880
356 HB2 LEU 49 HB2 LEU 49 17.681 8.149 2.456
357 HB3 LEU 49 HB3 LEU 49 17.330 6.415 2.405
358 HG LEU 49 HG LEU 49 15.531 8.502 3.710
359 HD11 LEU 49 1HD1 LEU 49 15.355 7.063 1.029
360 HD12 LEU 49 2HD1 LEU 49 14.090 8.100 1.722
361 HD13 LEU 49 3HD1 LEU 49 15.662 8.800 1.272
362 HD21 LEU 49 3HD2 LEU 49 15.111 5.553 3.059
363 HD22 LEU 49 1HD2 LEU 49 15.257 6.258 4.688
364 HD23 LEU 49 2HD2 LEU 49 13.862 6.664 3.669
365 H LEU 50 H LEU 50 19.910 8.591 3.653
366 HA LEU 50 HA LEU 50 21.575 6.517 2.718
367 HB2 LEU 50 HB2 LEU 50 22.218 9.369 3.511
368 HB3 LEU 50 HB3 LEU 50 23.373 8.249 2.766
369 HG LEU 50 HG LEU 50 20.707 8.979 1.490
370 HD11 LEU 50 1HD1 LEU 50 23.490 10.123 1.006
371 HD12 LEU 50 2HD1 LEU 50 22.033 10.481 0.047
372 HD13 LEU 50 3HD1 LEU 50 22.121 10.986 1.748
373 HD21 LEU 50 3HD2 LEU 50 23.246 7.675 0.421
374 HD22 LEU 50 1HD2 LEU 50 21.686 6.864 0.692
375 HD23 LEU 50 2HD2 LEU 50 21.827 8.118 -0.554
376 H THR 51 H THR 51 22.931 5.222 3.576
377 HA THR 51 HA THR 51 23.338 4.979 6.354
378 HB THR 51 HB THR 51 24.831 3.801 3.988
379 HG1 THR 51 HG1 THR 51 22.698 2.825 5.589
380 HG21 THR 51 1HG2 THR 51 24.700 2.982 6.923
381 HG22 THR 51 2HG2 THR 51 25.480 2.047 5.625
382 HG23 THR 51 3HG2 THR 51 26.125 3.638 6.082
383 H ASP 52 H ASP 52 25.287 6.283 3.579
384 HA ASP 52 HA ASP 52 27.186 7.427 5.517
385 HB2 ASP 52 HB2 ASP 52 27.684 6.710 2.602
386 HB3 ASP 52 HB3 ASP 52 28.831 7.503 3.702
387 H GLY 53 H GLY 53 27.290 9.610 5.537
388 HA2 GLY 53 HA2 GLY 53 25.632 11.079 3.641
389 HA3 GLY 53 HA3 GLY 53 26.174 11.607 5.234
390 H GLU 54 H GLU 54 28.784 10.169 3.399
391 HA GLU 54 HA GLU 54 30.224 12.577 3.386
392 HB2 GLU 54 HB2 GLU 54 30.686 9.937 2.032
393 HB3 GLU 54 HB3 GLU 54 31.754 11.336 1.792
394 HG2 GLU 54 HG2 GLU 54 31.021 10.192 4.516
395 HG3 GLU 54 HG3 GLU 54 32.515 9.826 3.636
396 H ASP 55 H ASP 55 28.411 11.075 0.624
397 HA ASP 55 HA ASP 55 29.411 13.003 -1.212
398 HB2 ASP 55 HB2 ASP 55 26.821 11.421 -1.348
399 HB3 ASP 55 HB3 ASP 55 27.620 12.273 -2.684
400 H ASP 56 H ASP 56 26.374 12.792 0.782
401 HA ASP 56 HA ASP 56 25.688 15.496 -0.103
402 HB2 ASP 56 HB2 ASP 56 24.047 13.538 1.499
403 HB3 ASP 56 HB3 ASP 56 23.557 15.171 1.002
404 H VAL 57 H VAL 57 27.857 16.082 1.106
405 HA VAL 57 HA VAL 57 26.851 17.328 3.546
406 HB VAL 57 HB VAL 57 28.004 15.201 4.260
407 HG11 VAL 57 1HG1 VAL 57 30.504 16.809 3.618
408 HG12 VAL 57 2HG1 VAL 57 30.412 15.175 4.309
409 HG13 VAL 57 3HG1 VAL 57 29.924 15.467 2.623
410 HG21 VAL 57 3HG2 VAL 57 29.089 17.848 5.283
411 HG22 VAL 57 1HG2 VAL 57 27.526 17.125 5.735
412 HG23 VAL 57 2HG2 VAL 57 29.046 16.305 6.159
413 H PHE 58 H PHE 58 28.153 19.193 4.126
414 HA PHE 58 HA PHE 58 29.083 20.673 1.885
415 HB2 PHE 58 HB2 PHE 58 29.324 21.242 4.876
416 HB3 PHE 58 HB3 PHE 58 29.593 22.402 3.567
417 HD1 PHE 58 HD1 PHE 58 27.068 20.499 5.467
418 HD2 PHE 58 HD2 PHE 58 27.720 23.343 2.308
419 HE1 PHE 58 HE1 PHE 58 24.654 21.072 5.484
420 HE2 PHE 58 HE2 PHE 58 25.306 23.915 2.327
421 HZ PHE 58 HZ PHE 58 23.773 22.781 3.914
422 H ASP 59 H ASP 59 31.349 21.475 1.680
423 HA ASP 59 HA ASP 59 33.298 19.482 2.077
424 HB2 ASP 59 HB2 ASP 59 33.813 22.385 1.442
425 HB3 ASP 59 HB3 ASP 59 34.931 21.020 1.262
426 HA PRO 60 HA PRO 60 35.212 22.030 5.611
427 HB2 PRO 60 HB2 PRO 60 32.779 23.156 6.948
428 HB3 PRO 60 HB3 PRO 60 34.418 23.876 6.802
429 HG2 PRO 60 HG2 PRO 60 32.372 24.777 5.252
430 HG3 PRO 60 HG3 PRO 60 34.006 24.532 4.548
431 HD2 PRO 60 HD2 PRO 60 31.612 22.684 4.400
432 HD3 PRO 60 HD3 PRO 60 32.726 23.189 3.090
433 H ASP 61 H ASP 61 32.038 20.358 6.058
434 HA ASP 61 HA ASP 61 33.258 19.205 8.484
435 HB2 ASP 61 HB2 ASP 61 30.326 19.228 7.671
436 HB3 ASP 61 HB3 ASP 61 31.010 18.519 9.148
437 H LEU 62 H LEU 62 33.902 17.137 8.464
438 HA LEU 62 HA LEU 62 32.845 15.444 6.292
439 HB2 LEU 62 HB2 LEU 62 35.512 15.155 7.680
440 HB3 LEU 62 HB3 LEU 62 34.825 14.056 6.466
441 HG LEU 62 HG LEU 62 35.481 17.006 6.021
442 HD11 LEU 62 1HD1 LEU 62 36.861 14.458 5.073
443 HD12 LEU 62 2HD1 LEU 62 37.310 16.118 4.612
444 HD13 LEU 62 3HD1 LEU 62 37.482 15.587 6.301
445 HD21 LEU 62 3HD2 LEU 62 34.541 14.824 4.107
446 HD22 LEU 62 1HD2 LEU 62 33.625 16.275 4.581
447 HD23 LEU 62 2HD2 LEU 62 35.105 16.439 3.619
448 H ASP 63 H ASP 63 31.522 13.950 6.950
449 HA ASP 63 HA ASP 63 30.762 13.537 9.610
450 HB2 ASP 63 HB2 ASP 63 30.238 11.961 7.071
451 HB3 ASP 63 HB3 ASP 63 29.581 11.516 8.641
452 H MET 64 H MET 64 32.911 11.578 7.427
453 HA MET 64 HA MET 64 33.121 9.402 9.200
454 HB2 MET 64 HB2 MET 64 35.138 10.334 7.148
455 HB3 MET 64 HB3 MET 64 35.188 8.799 8.044
456 HG2 MET 64 HG2 MET 64 32.948 8.222 7.138
457 HG3 MET 64 HG3 MET 64 32.966 9.707 6.180
458 HE1 MET 64 HE1 MET 64 36.055 9.834 5.268
459 HE2 MET 64 HE2 MET 64 35.896 9.080 3.668
460 HE3 MET 64 HE3 MET 64 34.649 10.211 4.246
461 H GLU 65 H GLU 65 35.076 12.393 8.876
462 HA GLU 65 HA GLU 65 37.087 11.642 10.685
463 HB2 GLU 65 HB2 GLU 65 36.135 14.428 9.945
464 HB3 GLU 65 HB3 GLU 65 37.673 14.000 10.727
465 HG2 GLU 65 HG2 GLU 65 36.766 13.139 7.947
466 HG3 GLU 65 HG3 GLU 65 37.995 14.360 8.315
467 H VAL 66 H VAL 66 33.971 13.446 11.277
468 HA VAL 66 HA VAL 66 34.798 13.439 14.116
469 HB VAL 66 HB VAL 66 32.694 15.132 12.740
470 HG11 VAL 66 1HG1 VAL 66 33.875 15.193 15.551
471 HG12 VAL 66 2HG1 VAL 66 32.723 16.374 14.885
472 HG13 VAL 66 3HG1 VAL 66 32.225 14.689 15.125
473 HG21 VAL 66 3HG2 VAL 66 35.504 15.803 13.714
474 HG22 VAL 66 1HG2 VAL 66 34.967 15.750 12.018
475 HG23 VAL 66 2HG2 VAL 66 34.309 16.980 13.118
476 H VAL 67 H VAL 67 33.837 12.040 15.415
477 HA VAL 67 HA VAL 67 31.819 10.239 14.604
478 HB VAL 67 HB VAL 67 32.888 10.920 17.352
479 HG11 VAL 67 1HG1 VAL 67 31.285 8.542 16.316
480 HG12 VAL 67 2HG1 VAL 67 32.012 8.669 17.935
481 HG13 VAL 67 3HG1 VAL 67 30.710 9.778 17.461
482 HG21 VAL 67 3HG2 VAL 67 33.619 8.744 15.343
483 HG22 VAL 67 1HG2 VAL 67 34.637 10.132 15.798
484 HG23 VAL 67 2HG2 VAL 67 34.257 8.879 16.999
485 H PHE 68 H PHE 68 31.791 13.274 16.566
486 HA PHE 68 HA PHE 68 29.050 13.090 17.290
487 HB2 PHE 68 HB2 PHE 68 30.905 15.497 17.225
488 HB3 PHE 68 HB3 PHE 68 29.298 15.441 17.967
489 HD1 PHE 68 HD1 PHE 68 32.807 14.337 18.245
490 HD2 PHE 68 HD2 PHE 68 28.905 14.218 20.045
491 HE1 PHE 68 HE1 PHE 68 33.802 13.471 20.346
492 HE2 PHE 68 HE2 PHE 68 29.900 13.353 22.146
493 HZ PHE 68 HZ PHE 68 32.349 12.979 22.297
494 H GLU 69 H GLU 69 27.286 14.134 16.490
495 HA GLU 69 HA GLU 69 25.849 14.832 14.940
496 HB2 GLU 69 HB2 GLU 69 27.991 16.860 14.280
497 HB3 GLU 69 HB3 GLU 69 26.263 16.950 13.870
498 HG2 GLU 69 HG2 GLU 69 25.689 16.898 16.278
499 HG3 GLU 69 HG3 GLU 69 27.414 16.828 16.688
500 H THR 70 H THR 70 27.180 12.504 14.074
501 HA THR 70 HA THR 70 27.908 12.959 11.312
502 HB THR 70 HB THR 70 27.522 10.436 12.910
503 HG1 THR 70 HG1 THR 70 29.373 11.719 13.333
504 HG21 THR 70 1HG2 THR 70 28.307 10.895 10.012
505 HG22 THR 70 2HG2 THR 70 28.578 9.367 10.883
506 HG23 THR 70 3HG2 THR 70 26.926 9.960 10.611
507 H GLN 71 H GLN 71 26.500 12.871 9.622
508 HA GLN 71 HA GLN 71 23.682 12.815 10.170
509 HB2 GLN 71 HB2 GLN 71 24.962 12.691 7.435
510 HB3 GLN 71 HB3 GLN 71 23.347 13.266 7.857
511 HG2 GLN 71 HG2 GLN 71 24.326 15.251 8.930
512 HG3 GLN 71 HG3 GLN 71 25.962 14.628 8.628
513 HE21 GLN 71 1HE2 GLN 71 26.395 14.010 6.229
514 HE22 GLN 71 2HE2 GLN 71 25.818 15.147 5.031
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 -14.867 -8.272 1.430
2 H2 GLY 1 H2 GLY 1 -15.653 -9.617 0.762
3 H3 GLY 1 H3 GLY 1 -14.040 -9.741 1.239
4 HA2 GLY 1 HA3 GLY 1 -15.156 -8.196 -1.034
5 HA3 GLY 1 HA2 GLY 1 -13.480 -8.020 -0.462
6 H SER 2 H SER 2 -12.248 -8.978 -2.025
7 HA SER 2 HA SER 2 -13.098 -11.424 -3.291
8 HB2 SER 2 HB2 SER 2 -11.820 -9.647 -4.526
9 HB3 SER 2 HB3 SER 2 -10.414 -10.018 -3.500
10 HG SER 2 HG SER 2 -10.412 -11.180 -5.473
11 H THR 3 H THR 3 -11.425 -13.294 -3.345
12 HA THR 3 HA THR 3 -10.856 -14.025 -0.597
13 HB THR 3 HB THR 3 -10.432 -15.587 -3.141
14 HG1 THR 3 HG1 THR 3 -12.622 -15.044 -2.701
15 HG21 THR 3 1HG2 THR 3 -10.532 -16.395 -0.204
16 HG22 THR 3 2HG2 THR 3 -10.365 -17.503 -1.586
17 HG23 THR 3 3HG2 THR 3 -9.071 -16.339 -1.217
18 H ALA 4 H ALA 4 -9.389 -12.179 -0.437
19 HA ALA 4 HA ALA 4 -6.661 -12.873 -1.184
20 HB1 ALA 4 HB1 ALA 4 -7.878 -10.088 -1.459
21 HB2 ALA 4 HB2 ALA 4 -6.158 -10.503 -1.645
22 HB3 ALA 4 HB3 ALA 4 -7.353 -11.121 -2.810
23 H MET 5 H MET 5 -5.173 -11.795 0.380
24 HA MET 5 HA MET 5 -6.135 -11.888 3.025
25 HB2 MET 5 HB2 MET 5 -3.966 -11.159 3.729
26 HB3 MET 5 HB3 MET 5 -3.774 -12.364 2.433
27 HG2 MET 5 HG2 MET 5 -3.523 -10.506 0.783
28 HG3 MET 5 HG3 MET 5 -3.631 -9.334 2.118
29 HE1 MET 5 HE1 MET 5 -1.539 -11.839 0.117
30 HE2 MET 5 HE2 MET 5 -0.143 -12.170 1.170
31 HE3 MET 5 HE3 MET 5 -1.758 -12.773 1.616
32 H ALA 6 H ALA 6 -6.642 -10.429 4.492
33 HA ALA 6 HA ALA 6 -7.601 -8.625 5.359
34 HB1 ALA 6 HB1 ALA 6 -5.553 -7.151 3.684
35 HB2 ALA 6 HB2 ALA 6 -6.504 -6.469 5.024
36 HB3 ALA 6 HB3 ALA 6 -5.328 -7.768 5.339
37 H THR 7 H THR 7 -8.923 -9.745 3.049
38 HA THR 7 HA THR 7 -10.529 -9.368 1.558
39 HB THR 7 HB THR 7 -12.346 -8.003 2.191
40 HG1 THR 7 HG1 THR 7 -11.141 -6.288 3.109
41 HG21 THR 7 1HG2 THR 7 -11.084 -9.547 4.494
42 HG22 THR 7 2HG2 THR 7 -12.809 -9.139 4.334
43 HG23 THR 7 3HG2 THR 7 -12.046 -10.250 3.171
44 H THR 8 H THR 8 -8.282 -8.473 0.429
45 HA THR 8 HA THR 8 -8.552 -5.769 -0.448
46 HB THR 8 HB THR 8 -7.006 -8.017 -1.735
47 HG1 THR 8 HG1 THR 8 -6.475 -7.662 0.467
48 HG21 THR 8 1HG2 THR 8 -6.676 -5.003 -1.836
49 HG22 THR 8 2HG2 THR 8 -5.602 -6.205 -2.592
50 HG23 THR 8 3HG2 THR 8 -7.282 -6.033 -3.155
51 H MET 9 H MET 9 -9.712 -4.952 -2.094
52 HA MET 9 HA MET 9 -11.538 -6.681 -3.559
53 HB2 MET 9 HB2 MET 9 -11.325 -3.704 -3.068
54 HB3 MET 9 HB3 MET 9 -12.285 -4.333 -4.428
55 HG2 MET 9 HG2 MET 9 -13.746 -4.007 -2.535
56 HG3 MET 9 HG3 MET 9 -13.548 -5.756 -2.796
57 HE1 MET 9 HE1 MET 9 -12.794 -2.659 -0.569
58 HE2 MET 9 HE2 MET 9 -11.683 -3.328 0.649
59 HE3 MET 9 HE3 MET 9 -11.151 -3.156 -1.041
60 H GLU 10 H GLU 10 -8.398 -5.663 -4.003
61 HA GLU 10 HA GLU 10 -6.955 -5.429 -5.645
62 HB2 GLU 10 HB2 GLU 10 -8.911 -6.986 -7.325
63 HB3 GLU 10 HB3 GLU 10 -7.179 -6.724 -7.636
64 HG2 GLU 10 HG2 GLU 10 -6.632 -7.855 -5.489
65 HG3 GLU 10 HG3 GLU 10 -8.367 -8.139 -5.207
66 H GLN 11 H GLN 11 -8.641 -3.212 -5.125
67 HA GLN 11 HA GLN 11 -8.527 -1.951 -7.782
68 HB2 GLN 11 HB2 GLN 11 -10.320 -0.425 -7.081
69 HB3 GLN 11 HB3 GLN 11 -10.852 -2.111 -7.289
70 HG2 GLN 11 HG2 GLN 11 -10.790 -2.441 -4.863
71 HG3 GLN 11 HG3 GLN 11 -10.227 -0.768 -4.641
72 HE21 GLN 11 1HE2 GLN 11 -12.892 -2.644 -4.346
73 HE22 GLN 11 2HE2 GLN 11 -14.145 -1.479 -4.708
74 H GLU 12 H GLU 12 -6.430 -2.302 -5.676
75 HA GLU 12 HA GLU 12 -4.880 -1.170 -4.535
76 HB2 GLU 12 HB2 GLU 12 -5.373 0.851 -6.706
77 HB3 GLU 12 HB3 GLU 12 -3.977 0.808 -5.603
78 HG2 GLU 12 HG2 GLU 12 -3.432 -1.477 -6.425
79 HG3 GLU 12 HG3 GLU 12 -4.790 -1.368 -7.571
80 H ILE 13 H ILE 13 -6.881 -1.159 -2.882
81 HA ILE 13 HA ILE 13 -7.099 1.654 -2.021
82 HB ILE 13 HB ILE 13 -8.926 0.981 -0.585
83 HG12 ILE 13 2HG1 ILE 13 -8.515 -1.363 -0.200
84 HG13 ILE 13 3HG1 ILE 13 -10.134 -1.094 -0.889
85 HG21 ILE 13 1HG2 ILE 13 -9.212 0.331 -3.541
86 HG22 ILE 13 2HG2 ILE 13 -10.544 0.763 -2.442
87 HG23 ILE 13 3HG2 ILE 13 -9.271 1.952 -2.808
88 HD11 ILE 13 3HD1 ILE 13 -9.335 -1.866 -3.067
89 HD12 ILE 13 1HD1 ILE 13 -7.716 -2.134 -2.377
90 HD13 ILE 13 2HD1 ILE 13 -9.102 -3.088 -1.795
91 H CYS 14 H CYS 14 -5.912 2.346 -0.558
92 HA CYS 14 HA CYS 14 -5.427 1.075 1.933
93 HB2 CYS 14 HB2 CYS 14 -3.010 1.469 0.153
94 HB3 CYS 14 HB3 CYS 14 -2.975 1.261 1.921
95 H ALA 15 H ALA 15 -3.720 2.663 3.135
96 HA ALA 15 HA ALA 15 -4.743 5.274 3.105
97 HB1 ALA 15 HB1 ALA 15 -2.047 4.268 4.127
98 HB2 ALA 15 HB2 ALA 15 -2.803 5.828 4.530
99 HB3 ALA 15 HB3 ALA 15 -3.556 4.308 5.068
100 H HIS 16 H HIS 16 -1.856 3.614 1.712
101 HA HIS 16 HA HIS 16 -1.068 5.967 0.175
102 HB2 HIS 16 HB2 HIS 16 0.382 3.369 0.642
103 HB3 HIS 16 HB3 HIS 16 0.931 4.697 -0.407
104 HD1 HIS 16 HD1 HIS 16 1.574 6.923 0.819
105 HD2 HIS 16 HD2 HIS 16 0.659 3.717 3.373
106 HE1 HIS 16 HE1 HIS 16 2.383 7.579 3.179
107 H SER 17 H SER 17 -0.105 4.884 -2.141
108 HA SER 17 HA SER 17 -2.419 4.629 -3.680
109 HB2 SER 17 HB2 SER 17 -0.873 4.287 -5.533
110 HB3 SER 17 HB3 SER 17 -0.328 5.624 -4.490
111 HG SER 17 HG SER 17 1.362 4.177 -5.038
112 H MET 18 H MET 18 -0.249 1.890 -2.757
113 HA MET 18 HA MET 18 -1.819 0.202 -4.528
114 HB2 MET 18 HB2 MET 18 0.547 -0.495 -2.816
115 HB3 MET 18 HB3 MET 18 -0.260 -1.534 -4.014
116 HG2 MET 18 HG2 MET 18 1.024 1.146 -4.647
117 HG3 MET 18 HG3 MET 18 1.809 -0.436 -4.875
118 HE1 MET 18 HE1 MET 18 -0.641 -2.228 -5.816
119 HE2 MET 18 HE2 MET 18 -0.451 -2.119 -7.582
120 HE3 MET 18 HE3 MET 18 0.983 -2.288 -6.541
121 H THR 19 H THR 19 -1.893 -2.197 -3.669
122 HA THR 19 HA THR 19 -4.335 -2.258 -2.209
123 HB THR 19 HB THR 19 -4.170 -4.676 -2.509
124 HG1 THR 19 HG1 THR 19 -2.393 -5.459 -3.702
125 HG21 THR 19 1HG2 THR 19 -3.519 -3.105 -5.028
126 HG22 THR 19 2HG2 THR 19 -4.269 -4.717 -4.964
127 HG23 THR 19 3HG2 THR 19 -5.135 -3.307 -4.310
128 H PHE 20 H PHE 20 -4.650 -3.949 -0.458
129 HA PHE 20 HA PHE 20 -3.181 -3.325 1.823
130 HB2 PHE 20 HB2 PHE 20 -5.000 -5.683 1.240
131 HB3 PHE 20 HB3 PHE 20 -4.280 -5.338 2.831
132 HD1 PHE 20 HD1 PHE 20 -4.599 -2.835 3.653
133 HD2 PHE 20 HD2 PHE 20 -7.115 -4.814 0.786
134 HE1 PHE 20 HE1 PHE 20 -6.407 -1.202 4.115
135 HE2 PHE 20 HE2 PHE 20 -8.930 -3.191 1.259
136 HZ PHE 20 HZ PHE 20 -8.574 -1.382 2.920
137 H GLU 21 H GLU 21 -2.959 -6.030 -0.522
138 HA GLU 21 HA GLU 21 -1.149 -7.679 0.802
139 HB2 GLU 21 HB2 GLU 21 -1.460 -7.157 -2.198
140 HB3 GLU 21 HB3 GLU 21 -0.692 -8.579 -1.455
141 HG2 GLU 21 HG2 GLU 21 -2.844 -9.208 -0.435
142 HG3 GLU 21 HG3 GLU 21 -3.612 -7.785 -1.178
143 H GLU 22 H GLU 22 -0.765 -4.815 -1.354
144 HA GLU 22 HA GLU 22 2.134 -4.994 -1.329
145 HB2 GLU 22 HB2 GLU 22 0.221 -3.062 -2.713
146 HB3 GLU 22 HB3 GLU 22 1.976 -3.190 -2.982
147 HG2 GLU 22 HG2 GLU 22 -0.026 -5.403 -3.534
148 HG3 GLU 22 HG3 GLU 22 0.630 -4.286 -4.754
149 H CYS 23 H CYS 23 0.056 -3.928 1.052
150 HA CYS 23 HA CYS 23 0.712 -1.254 1.464
151 HB2 CYS 23 HB2 CYS 23 -0.060 -3.389 3.434
152 HB3 CYS 23 HB3 CYS 23 0.454 -1.767 3.952
153 HA PRO 24 HA PRO 24 4.434 -2.501 4.182
154 HB2 PRO 24 HB2 PRO 24 5.915 -4.684 3.529
155 HB3 PRO 24 HB3 PRO 24 4.665 -4.680 4.796
156 HG2 PRO 24 HG2 PRO 24 4.454 -5.613 1.899
157 HG3 PRO 24 HG3 PRO 24 3.806 -6.397 3.360
158 HD2 PRO 24 HD2 PRO 24 2.210 -4.872 1.750
159 HD3 PRO 24 HD3 PRO 24 1.983 -4.917 3.514
160 H LYS 25 H LYS 25 4.400 -3.367 0.716
161 HA LYS 25 HA LYS 25 6.979 -2.401 0.081
162 HB2 LYS 25 HB2 LYS 25 4.504 -2.771 -1.628
163 HB3 LYS 25 HB3 LYS 25 6.144 -2.436 -2.230
164 HG2 LYS 25 HG2 LYS 25 6.971 -4.509 -1.188
165 HG3 LYS 25 HG3 LYS 25 5.354 -4.835 -0.524
166 HD2 LYS 25 HD2 LYS 25 4.429 -4.907 -2.827
167 HD3 LYS 25 HD3 LYS 25 6.055 -4.603 -3.483
168 HE2 LYS 25 HE2 LYS 25 6.874 -6.692 -2.484
169 HE3 LYS 25 HE3 LYS 25 5.279 -6.986 -1.751
170 HZ1 LYS 25 HZ1 LYS 25 5.843 -6.821 -4.622
171 HZ2 LYS 25 HZ2 LYS 25 5.564 -8.203 -3.768
172 HZ3 LYS 25 HZ3 LYS 25 4.362 -7.086 -3.945
173 H CYS 26 H CYS 26 3.713 -0.928 0.119
174 HA CYS 26 HA CYS 26 4.406 1.581 -0.935
175 HB2 CYS 26 HB2 CYS 26 2.150 0.633 0.874
176 HB3 CYS 26 HB3 CYS 26 2.315 2.331 0.368
177 HG CYS 26 HG CYS 26 0.542 1.130 -1.117
178 H SER 27 H SER 27 5.249 0.121 2.083
179 HA SER 27 HA SER 27 6.106 0.753 3.987
180 HB2 SER 27 HB2 SER 27 6.617 3.429 2.657
181 HB3 SER 27 HB3 SER 27 7.315 2.852 4.189
182 HG SER 27 HG SER 27 8.690 2.489 2.392
183 H ALA 28 H ALA 28 3.347 0.729 3.538
184 HA ALA 28 HA ALA 28 1.962 2.975 4.500
185 HB1 ALA 28 HB1 ALA 28 1.160 0.056 4.594
186 HB2 ALA 28 HB2 ALA 28 0.101 1.454 4.892
187 HB3 ALA 28 HB3 ALA 28 0.807 1.201 3.278
188 H LEU 29 H LEU 29 3.411 0.103 6.118
189 HA LEU 29 HA LEU 29 2.304 0.524 8.651
190 HB2 LEU 29 HB2 LEU 29 5.031 -0.655 7.928
191 HB3 LEU 29 HB3 LEU 29 4.126 -0.919 9.437
192 HG LEU 29 HG LEU 29 3.199 -1.752 6.660
193 HD11 LEU 29 1HD1 LEU 29 4.283 -3.361 9.017
194 HD12 LEU 29 2HD1 LEU 29 3.657 -4.043 7.497
195 HD13 LEU 29 3HD1 LEU 29 5.139 -3.056 7.487
196 HD21 LEU 29 3HD2 LEU 29 2.043 -2.320 9.417
197 HD22 LEU 29 1HD2 LEU 29 1.334 -1.242 8.192
198 HD23 LEU 29 2HD2 LEU 29 1.451 -2.989 7.877
199 H GLN 30 H GLN 30 5.390 1.568 7.149
200 HA GLN 30 HA GLN 30 6.490 2.928 9.335
201 HB2 GLN 30 HB2 GLN 30 6.980 3.288 6.359
202 HB3 GLN 30 HB3 GLN 30 8.020 3.867 7.675
203 HG2 GLN 30 HG2 GLN 30 8.396 1.538 8.412
204 HG3 GLN 30 HG3 GLN 30 7.340 0.950 7.109
205 HE21 GLN 30 1HE2 GLN 30 8.413 0.211 5.366
206 HE22 GLN 30 2HE2 GLN 30 9.948 0.812 4.781
207 H TYR 31 H TYR 31 4.391 4.029 6.645
208 HA TYR 31 HA TYR 31 3.199 5.867 6.288
209 HB2 TYR 31 HB2 TYR 31 3.758 6.765 9.097
210 HB3 TYR 31 HB3 TYR 31 2.704 7.563 7.918
211 HD1 TYR 31 HD2 TYR 31 0.777 6.237 6.905
212 HD2 TYR 31 HD1 TYR 31 2.933 4.951 10.395
213 HE1 TYR 31 HE2 TYR 31 -1.094 4.719 7.489
214 HE2 TYR 31 HE1 TYR 31 1.069 3.430 10.993
215 HH TYR 31 HH TYR 31 -1.004 2.637 10.414
216 H ARG 32 H ARG 32 6.377 5.664 6.192
217 HA ARG 32 HA ARG 32 6.746 8.524 5.594
218 HB2 ARG 32 HB2 ARG 32 8.877 6.391 6.103
219 HB3 ARG 32 HB3 ARG 32 9.174 8.076 5.617
220 HG2 ARG 32 HG2 ARG 32 7.997 8.833 7.708
221 HG3 ARG 32 HG3 ARG 32 7.829 7.130 8.179
222 HD2 ARG 32 HD2 ARG 32 9.749 7.920 9.334
223 HD3 ARG 32 HD3 ARG 32 10.367 6.946 7.991
224 HE ARG 32 HE ARG 32 11.255 8.874 7.009
225 HH11 ARG 32 1HH1 ARG 32 9.151 9.715 9.734
226 HH12 ARG 32 2HH1 ARG 32 9.687 11.380 9.800
227 HH21 ARG 32 1HH2 ARG 32 11.954 11.071 7.117
228 HH22 ARG 32 2HH2 ARG 32 11.273 12.149 8.314
229 H ASN 33 H ASN 33 6.710 8.650 3.262
230 HA ASN 33 HA ASN 33 6.411 6.169 1.807
231 HB2 ASN 33 HB2 ASN 33 4.996 8.251 1.493
232 HB3 ASN 33 HB3 ASN 33 6.408 8.997 0.723
233 HD21 ASN 33 1HD2 ASN 33 3.633 8.059 -0.236
234 HD22 ASN 33 2HD2 ASN 33 3.978 7.078 -1.644
235 H GLY 34 H GLY 34 7.870 5.137 0.694
236 HA2 GLY 34 HA2 GLY 34 10.594 5.657 0.920
237 HA3 GLY 34 HA3 GLY 34 9.810 4.480 -0.145
238 H PHE 35 H PHE 35 8.253 6.311 -1.782
239 HA PHE 35 HA PHE 35 10.428 7.263 -3.463
240 HB2 PHE 35 HB2 PHE 35 8.742 7.829 -5.122
241 HB3 PHE 35 HB3 PHE 35 9.013 6.124 -4.763
242 HD1 PHE 35 HD1 PHE 35 6.643 8.938 -4.270
243 HD2 PHE 35 HD2 PHE 35 7.299 4.707 -3.941
244 HE1 PHE 35 HE1 PHE 35 4.207 8.588 -3.931
245 HE2 PHE 35 HE2 PHE 35 4.868 4.354 -3.601
246 HZ PHE 35 HZ PHE 35 3.320 6.294 -3.603
247 H TYR 36 H TYR 36 10.330 9.341 -4.598
248 HA TYR 36 HA TYR 36 10.658 11.543 -4.514
249 HB2 TYR 36 HB2 TYR 36 8.450 11.808 -2.511
250 HB3 TYR 36 HB3 TYR 36 9.294 13.104 -3.365
251 HD1 TYR 36 HD2 TYR 36 9.345 12.772 -6.037
252 HD2 TYR 36 HD1 TYR 36 6.410 11.120 -3.365
253 HE1 TYR 36 HE2 TYR 36 7.741 12.597 -7.919
254 HE2 TYR 36 HE1 TYR 36 4.797 10.936 -5.238
255 HH TYR 36 HH TYR 36 4.426 11.292 -7.475
256 H LEU 37 H LEU 37 12.656 10.664 -3.715
257 HA LEU 37 HA LEU 37 13.412 10.421 -1.064
258 HB2 LEU 37 HB2 LEU 37 15.052 11.251 -3.503
259 HB3 LEU 37 HB3 LEU 37 15.723 10.729 -1.945
260 HG LEU 37 HG LEU 37 13.936 9.033 -3.746
261 HD11 LEU 37 1HD1 LEU 37 16.927 8.906 -3.174
262 HD12 LEU 37 2HD1 LEU 37 16.006 7.752 -4.166
263 HD13 LEU 37 3HD1 LEU 37 16.181 9.440 -4.698
264 HD21 LEU 37 3HD2 LEU 37 15.456 8.382 -1.180
265 HD22 LEU 37 1HD2 LEU 37 13.686 8.418 -1.375
266 HD23 LEU 37 2HD2 LEU 37 14.644 7.187 -2.219
267 H LEU 38 H LEU 38 13.638 13.353 -3.294
268 HA LEU 38 HA LEU 38 14.716 14.763 -0.960
269 HB2 LEU 38 HB2 LEU 38 15.890 15.198 -3.034
270 HB3 LEU 38 HB3 LEU 38 14.374 15.640 -3.843
271 HG LEU 38 HG LEU 38 14.090 17.556 -2.312
272 HD11 LEU 38 1HD1 LEU 38 16.772 16.659 -1.170
273 HD12 LEU 38 2HD1 LEU 38 15.970 18.207 -0.814
274 HD13 LEU 38 3HD1 LEU 38 15.214 16.686 -0.306
275 HD21 LEU 38 3HD2 LEU 38 16.843 17.398 -3.607
276 HD22 LEU 38 1HD2 LEU 38 15.326 17.853 -4.419
277 HD23 LEU 38 2HD2 LEU 38 16.001 18.894 -3.144
278 H LYS 39 H LYS 39 12.957 14.936 0.431
279 HA LYS 39 HA LYS 39 10.545 16.149 -0.754
280 HB2 LYS 39 HB2 LYS 39 10.143 13.905 0.185
281 HB3 LYS 39 HB3 LYS 39 10.777 14.440 1.749
282 HG2 LYS 39 HG2 LYS 39 8.957 16.062 1.972
283 HG3 LYS 39 HG3 LYS 39 8.359 15.651 0.342
284 HD2 LYS 39 HD2 LYS 39 8.004 13.311 1.050
285 HD3 LYS 39 HD3 LYS 39 8.623 13.697 2.668
286 HE2 LYS 39 HE2 LYS 39 6.775 15.291 3.006
287 HE3 LYS 39 HE3 LYS 39 6.159 14.932 1.378
288 HZ1 LYS 39 HZ1 LYS 39 5.845 12.672 2.074
289 HZ2 LYS 39 HZ2 LYS 39 5.015 13.698 3.063
290 HZ3 LYS 39 HZ3 LYS 39 6.422 13.009 3.582
291 H TYR 40 H TYR 40 10.446 18.227 -0.309
292 HA TYR 40 HA TYR 40 12.136 19.546 1.539
293 HB2 TYR 40 HB2 TYR 40 9.801 20.596 -0.026
294 HB3 TYR 40 HB3 TYR 40 10.909 21.551 0.972
295 HD1 TYR 40 HD1 TYR 40 10.717 19.342 -2.026
296 HD2 TYR 40 HD2 TYR 40 13.075 22.160 0.206
297 HE1 TYR 40 HE1 TYR 40 12.344 19.449 -3.893
298 HE2 TYR 40 HE2 TYR 40 14.706 22.283 -1.655
299 HH TYR 40 HH TYR 40 14.301 20.364 -4.664
300 H ASP 41 H ASP 41 8.767 18.439 1.770
301 HA ASP 41 HA ASP 41 8.038 19.899 4.033
302 HB2 ASP 41 HB2 ASP 41 7.184 17.113 3.135
303 HB3 ASP 41 HB3 ASP 41 6.372 18.079 4.382
304 H GLU 42 H GLU 42 9.621 16.626 3.688
305 HA GLU 42 HA GLU 42 9.789 16.405 6.587
306 HB2 GLU 42 HB2 GLU 42 10.723 14.506 4.448
307 HB3 GLU 42 HB3 GLU 42 10.932 14.285 6.194
308 HG2 GLU 42 HG2 GLU 42 8.468 14.378 6.490
309 HG3 GLU 42 HG3 GLU 42 8.276 14.513 4.731
310 H GLU 43 H GLU 43 11.681 16.325 7.780
311 HA GLU 43 HA GLU 43 13.814 17.926 6.584
312 HB2 GLU 43 HB2 GLU 43 13.330 17.134 9.483
313 HB3 GLU 43 HB3 GLU 43 14.652 18.161 8.884
314 HG2 GLU 43 HG2 GLU 43 12.989 19.775 8.001
315 HG3 GLU 43 HG3 GLU 43 11.676 18.764 8.635
316 H TRP 44 H TRP 44 15.664 17.124 6.020
317 HA TRP 44 HA TRP 44 17.362 15.785 5.557
318 HB2 TRP 44 HB2 TRP 44 17.040 14.951 8.462
319 HB3 TRP 44 HB3 TRP 44 18.471 14.697 7.458
320 HD1 TRP 44 HD1 TRP 44 16.689 17.327 9.501
321 HE1 TRP 44 HE1 TRP 44 18.126 19.422 9.697
322 HE3 TRP 44 HE3 TRP 44 20.314 16.117 6.122
323 HZ2 TRP 44 HZ2 TRP 44 20.572 20.457 8.521
324 HZ3 TRP 44 HZ3 TRP 44 22.186 17.670 5.674
325 HH2 TRP 44 HH2 TRP 44 22.326 19.841 6.866
326 H TYR 45 H TYR 45 14.788 14.686 4.744
327 HA TYR 45 HA TYR 45 14.628 11.967 5.535
328 HB2 TYR 45 HB2 TYR 45 12.731 13.267 4.691
329 HB3 TYR 45 HB3 TYR 45 13.462 13.258 3.081
330 HD1 TYR 45 HD1 TYR 45 12.722 10.820 5.831
331 HD2 TYR 45 HD2 TYR 45 12.666 11.617 1.612
332 HE1 TYR 45 HE1 TYR 45 11.693 8.595 5.437
333 HE2 TYR 45 HE2 TYR 45 11.652 9.392 1.198
334 HH TYR 45 HH TYR 45 10.896 7.433 2.142
335 HA PRO 46 HA PRO 46 17.075 10.701 1.696
336 HB2 PRO 46 HB2 PRO 46 18.982 12.416 0.671
337 HB3 PRO 46 HB3 PRO 46 17.325 12.192 0.011
338 HG2 PRO 46 HG2 PRO 46 18.338 14.352 1.854
339 HG3 PRO 46 HG3 PRO 46 17.234 14.512 0.454
340 HD2 PRO 46 HD2 PRO 46 16.345 14.454 3.039
341 HD3 PRO 46 HD3 PRO 46 15.395 13.732 1.706
342 H GLU 47 H GLU 47 18.566 12.949 4.036
343 HA GLU 47 HA GLU 47 20.990 11.520 4.307
344 HB2 GLU 47 HB2 GLU 47 19.666 13.558 6.081
345 HB3 GLU 47 HB3 GLU 47 21.207 12.761 6.424
346 HG2 GLU 47 HG2 GLU 47 21.822 14.773 5.387
347 HG3 GLU 47 HG3 GLU 47 22.024 13.532 4.146
348 H GLU 48 H GLU 48 17.812 11.246 5.982
349 HA GLU 48 HA GLU 48 18.655 9.464 7.969
350 HB2 GLU 48 HB2 GLU 48 15.988 9.699 6.537
351 HB3 GLU 48 HB3 GLU 48 16.283 8.585 7.876
352 HG2 GLU 48 HG2 GLU 48 16.681 10.401 9.410
353 HG3 GLU 48 HG3 GLU 48 16.616 11.592 8.105
354 H LEU 49 H LEU 49 17.349 8.972 4.615
355 HA LEU 49 HA LEU 49 17.296 6.160 4.691
356 HB2 LEU 49 HB2 LEU 49 17.528 8.056 2.344
357 HB3 LEU 49 HB3 LEU 49 17.195 6.319 2.232
358 HG LEU 49 HG LEU 49 15.437 8.312 3.726
359 HD11 LEU 49 1HD1 LEU 49 15.123 7.032 0.979
360 HD12 LEU 49 2HD1 LEU 49 13.901 8.029 1.800
361 HD13 LEU 49 3HD1 LEU 49 15.448 8.751 1.304
362 HD21 LEU 49 3HD2 LEU 49 15.022 5.401 2.922
363 HD22 LEU 49 1HD2 LEU 49 15.239 6.010 4.581
364 HD23 LEU 49 2HD2 LEU 49 13.790 6.451 3.657
365 H LEU 50 H LEU 50 19.850 8.451 3.549
366 HA LEU 50 HA LEU 50 21.506 6.365 2.565
367 HB2 LEU 50 HB2 LEU 50 22.166 9.226 3.298
368 HB3 LEU 50 HB3 LEU 50 23.284 8.095 2.514
369 HG LEU 50 HG LEU 50 20.565 8.833 1.354
370 HD11 LEU 50 1HD1 LEU 50 23.333 9.943 0.728
371 HD12 LEU 50 2HD1 LEU 50 21.836 10.313 -0.164
372 HD13 LEU 50 3HD1 LEU 50 22.012 10.827 1.529
373 HD21 LEU 50 3HD2 LEU 50 23.037 7.491 0.180
374 HD22 LEU 50 1HD2 LEU 50 21.483 6.699 0.535
375 HD23 LEU 50 2HD2 LEU 50 21.576 7.939 -0.732
376 H THR 51 H THR 51 22.832 5.066 3.441
377 HA THR 51 HA THR 51 23.252 4.863 6.218
378 HB THR 51 HB THR 51 24.670 3.605 3.853
379 HG1 THR 51 HG1 THR 51 23.200 1.913 4.325
380 HG21 THR 51 1HG2 THR 51 24.518 2.818 6.796
381 HG22 THR 51 2HG2 THR 51 25.243 1.835 5.502
382 HG23 THR 51 3HG2 THR 51 25.966 3.398 5.938
383 H ASP 52 H ASP 52 25.240 6.120 3.461
384 HA ASP 52 HA ASP 52 27.227 7.092 5.406
385 HB2 ASP 52 HB2 ASP 52 27.537 6.606 2.404
386 HB3 ASP 52 HB3 ASP 52 28.780 7.265 3.488
387 H GLY 53 H GLY 53 27.317 9.329 5.568
388 HA2 GLY 53 HA2 GLY 53 25.690 10.885 3.700
389 HA3 GLY 53 HA3 GLY 53 26.187 11.345 5.330
390 H GLU 54 H GLU 54 28.828 9.938 3.582
391 HA GLU 54 HA GLU 54 30.367 12.262 3.691
392 HB2 GLU 54 HB2 GLU 54 31.246 9.934 3.677
393 HB3 GLU 54 HB3 GLU 54 30.728 9.757 1.986
394 HG2 GLU 54 HG2 GLU 54 32.208 11.627 1.331
395 HG3 GLU 54 HG3 GLU 54 32.698 11.838 3.023
396 H ASP 55 H ASP 55 28.650 10.795 0.837
397 HA ASP 55 HA ASP 55 29.651 12.686 -1.008
398 HB2 ASP 55 HB2 ASP 55 27.060 11.078 -1.101
399 HB3 ASP 55 HB3 ASP 55 27.847 11.889 -2.471
400 H ASP 56 H ASP 56 26.555 12.480 0.877
401 HA ASP 56 HA ASP 56 25.853 15.151 -0.107
402 HB2 ASP 56 HB2 ASP 56 24.123 13.174 1.354
403 HB3 ASP 56 HB3 ASP 56 23.653 14.794 0.795
404 H VAL 57 H VAL 57 27.837 15.884 1.131
405 HA VAL 57 HA VAL 57 26.706 17.107 3.512
406 HB VAL 57 HB VAL 57 27.887 15.043 4.338
407 HG11 VAL 57 1HG1 VAL 57 30.369 16.694 3.735
408 HG12 VAL 57 2HG1 VAL 57 30.292 15.077 4.468
409 HG13 VAL 57 3HG1 VAL 57 29.851 15.312 2.757
410 HG21 VAL 57 3HG2 VAL 57 28.859 17.750 5.320
411 HG22 VAL 57 1HG2 VAL 57 27.301 16.993 5.734
412 HG23 VAL 57 2HG2 VAL 57 28.826 16.234 6.241
413 H PHE 58 H PHE 58 27.908 19.023 4.079
414 HA PHE 58 HA PHE 58 28.880 20.506 1.874
415 HB2 PHE 58 HB2 PHE 58 29.092 21.085 4.872
416 HB3 PHE 58 HB3 PHE 58 29.295 22.255 3.559
417 HD1 PHE 58 HD1 PHE 58 26.847 20.134 5.365
418 HD2 PHE 58 HD2 PHE 58 27.404 23.239 2.444
419 HE1 PHE 58 HE1 PHE 58 24.413 20.611 5.408
420 HE2 PHE 58 HE2 PHE 58 24.971 23.716 2.489
421 HZ PHE 58 HZ PHE 58 23.475 22.403 3.969
422 H ASP 59 H ASP 59 31.141 21.344 1.719
423 HA ASP 59 HA ASP 59 33.140 19.441 2.300
424 HB2 ASP 59 HB2 ASP 59 33.551 22.329 1.542
425 HB3 ASP 59 HB3 ASP 59 34.741 21.013 1.477
426 HA PRO 60 HA PRO 60 34.731 22.113 5.868
427 HB2 PRO 60 HB2 PRO 60 33.015 23.654 7.350
428 HB3 PRO 60 HB3 PRO 60 33.946 24.267 5.937
429 HG2 PRO 60 HG2 PRO 60 31.090 23.251 5.993
430 HG3 PRO 60 HG3 PRO 60 31.707 24.768 5.255
431 HD2 PRO 60 HD2 PRO 60 31.284 22.544 3.769
432 HD3 PRO 60 HD3 PRO 60 32.713 23.577 3.461
433 H ASP 61 H ASP 61 31.615 20.392 6.002
434 HA ASP 61 HA ASP 61 32.355 19.565 8.735
435 HB2 ASP 61 HB2 ASP 61 29.697 19.286 7.244
436 HB3 ASP 61 HB3 ASP 61 30.040 18.650 8.866
437 H LEU 62 H LEU 62 33.346 17.546 8.818
438 HA LEU 62 HA LEU 62 32.642 15.694 6.625
439 HB2 LEU 62 HB2 LEU 62 35.265 15.792 8.112
440 HB3 LEU 62 HB3 LEU 62 34.788 14.605 6.881
441 HG LEU 62 HG LEU 62 35.017 17.617 6.430
442 HD11 LEU 62 1HD1 LEU 62 36.835 15.315 5.606
443 HD12 LEU 62 2HD1 LEU 62 37.036 17.017 5.130
444 HD13 LEU 62 3HD1 LEU 62 37.200 16.547 6.836
445 HD21 LEU 62 3HD2 LEU 62 34.554 15.301 4.499
446 HD22 LEU 62 1HD2 LEU 62 33.381 16.576 4.908
447 HD23 LEU 62 2HD2 LEU 62 34.861 16.987 4.024
448 H ASP 63 H ASP 63 31.446 14.115 7.220
449 HA ASP 63 HA ASP 63 30.677 13.519 9.834
450 HB2 ASP 63 HB2 ASP 63 30.459 11.964 7.237
451 HB3 ASP 63 HB3 ASP 63 29.811 11.378 8.766
452 H MET 64 H MET 64 33.089 12.000 7.636
453 HA MET 64 HA MET 64 33.619 9.726 9.174
454 HB2 MET 64 HB2 MET 64 35.440 11.285 7.288
455 HB3 MET 64 HB3 MET 64 35.735 9.643 7.900
456 HG2 MET 64 HG2 MET 64 33.632 8.877 6.851
457 HG3 MET 64 HG3 MET 64 33.335 10.512 6.247
458 HE1 MET 64 HE1 MET 64 35.555 7.322 6.073
459 HE2 MET 64 HE2 MET 64 36.758 7.734 4.827
460 HE3 MET 64 HE3 MET 64 36.795 8.558 6.402
461 H GLU 65 H GLU 65 35.163 12.987 9.117
462 HA GLU 65 HA GLU 65 37.216 12.413 10.937
463 HB2 GLU 65 HB2 GLU 65 35.927 15.074 10.263
464 HB3 GLU 65 HB3 GLU 65 37.466 14.834 11.115
465 HG2 GLU 65 HG2 GLU 65 36.842 13.939 8.270
466 HG3 GLU 65 HG3 GLU 65 37.841 15.328 8.730
467 H VAL 66 H VAL 66 33.899 13.792 11.547
468 HA VAL 66 HA VAL 66 34.714 13.776 14.389
469 HB VAL 66 HB VAL 66 32.417 15.251 13.084
470 HG11 VAL 66 1HG1 VAL 66 33.596 15.325 15.897
471 HG12 VAL 66 2HG1 VAL 66 32.303 16.384 15.287
472 HG13 VAL 66 3HG1 VAL 66 32.019 14.639 15.447
473 HG21 VAL 66 3HG2 VAL 66 35.130 16.213 14.092
474 HG22 VAL 66 1HG2 VAL 66 34.598 16.171 12.393
475 HG23 VAL 66 2HG2 VAL 66 33.800 17.262 13.547
476 H VAL 67 H VAL 67 33.946 12.255 15.641
477 HA VAL 67 HA VAL 67 32.230 10.188 14.789
478 HB VAL 67 HB VAL 67 33.141 11.022 17.561
479 HG11 VAL 67 1HG1 VAL 67 31.933 8.427 16.512
480 HG12 VAL 67 2HG1 VAL 67 32.606 8.664 18.141
481 HG13 VAL 67 3HG1 VAL 67 31.159 9.563 17.643
482 HG21 VAL 67 3HG2 VAL 67 34.227 8.977 15.575
483 HG22 VAL 67 1HG2 VAL 67 35.014 10.505 16.038
484 HG23 VAL 67 2HG2 VAL 67 34.810 9.213 17.240
485 H PHE 68 H PHE 68 31.734 13.134 16.843
486 HA PHE 68 HA PHE 68 28.996 12.477 17.389
487 HB2 PHE 68 HB2 PHE 68 30.469 15.078 17.814
488 HB3 PHE 68 HB3 PHE 68 28.836 14.688 18.375
489 HD1 PHE 68 HD1 PHE 68 32.432 13.778 18.718
490 HD2 PHE 68 HD2 PHE 68 28.472 13.400 20.347
491 HE1 PHE 68 HE1 PHE 68 33.374 12.745 20.767
492 HE2 PHE 68 HE2 PHE 68 29.415 12.371 22.398
493 HZ PHE 68 HZ PHE 68 31.865 12.040 22.607
494 H GLU 69 H GLU 69 27.165 13.411 16.719
495 HA GLU 69 HA GLU 69 25.665 14.042 15.201
496 HB2 GLU 69 HB2 GLU 69 27.548 16.357 14.740
497 HB3 GLU 69 HB3 GLU 69 25.825 16.268 14.307
498 HG2 GLU 69 HG2 GLU 69 25.243 15.958 16.694
499 HG3 GLU 69 HG3 GLU 69 26.962 16.067 17.127
500 H THR 70 H THR 70 27.210 11.966 14.221
501 HA THR 70 HA THR 70 27.958 12.634 11.510
502 HB THR 70 HB THR 70 27.759 10.008 12.985
503 HG1 THR 70 HG1 THR 70 29.470 11.428 13.536
504 HG21 THR 70 1HG2 THR 70 28.591 10.675 10.142
505 HG22 THR 70 2HG2 THR 70 28.982 9.139 10.954
506 HG23 THR 70 3HG2 THR 70 27.289 9.584 10.651
507 H GLN 71 H GLN 71 26.560 12.512 9.796
508 HA GLN 71 HA GLN 71 23.765 12.282 10.227
509 HB2 GLN 71 HB2 GLN 71 25.238 12.124 7.576
510 HB3 GLN 71 HB3 GLN 71 23.528 12.503 7.830
511 HG2 GLN 71 HG2 GLN 71 24.165 14.606 8.962
512 HG3 GLN 71 HG3 GLN 71 25.883 14.212 8.735
513 HE21 GLN 71 1HE2 GLN 71 26.478 13.637 6.346
514 HE22 GLN 71 2HE2 GLN 71 25.804 14.691 5.123
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 -14.637 -9.111 0.381
2 H2 GLY 1 H2 GLY 1 -15.274 -10.502 -0.349
3 H3 GLY 1 H3 GLY 1 -13.705 -10.524 0.269
4 HA2 GLY 1 HA3 GLY 1 -14.711 -9.048 -2.098
5 HA3 GLY 1 HA2 GLY 1 -13.107 -8.768 -1.382
6 H SER 2 H SER 2 -11.684 -9.642 -2.826
7 HA SER 2 HA SER 2 -12.260 -12.134 -4.154
8 HB2 SER 2 HB2 SER 2 -10.994 -10.276 -5.277
9 HB3 SER 2 HB3 SER 2 -9.664 -10.560 -4.130
10 HG SER 2 HG SER 2 -9.413 -11.715 -6.091
11 H THR 3 H THR 3 -10.474 -13.894 -4.053
12 HA THR 3 HA THR 3 -10.105 -14.593 -1.263
13 HB THR 3 HB THR 3 -9.360 -16.119 -3.755
14 HG1 THR 3 HG1 THR 3 -11.610 -15.717 -3.511
15 HG21 THR 3 1HG2 THR 3 -9.668 -16.939 -0.835
16 HG22 THR 3 2HG2 THR 3 -9.309 -18.031 -2.193
17 HG23 THR 3 3HG2 THR 3 -8.129 -16.788 -1.715
18 H ALA 4 H ALA 4 -8.779 -12.658 -0.980
19 HA ALA 4 HA ALA 4 -5.956 -13.176 -1.481
20 HB1 ALA 4 HB1 ALA 4 -7.319 -10.473 -1.872
21 HB2 ALA 4 HB2 ALA 4 -5.567 -10.778 -1.904
22 HB3 ALA 4 HB3 ALA 4 -6.612 -11.468 -3.167
23 H MET 5 H MET 5 -4.684 -12.009 0.205
24 HA MET 5 HA MET 5 -5.868 -12.169 2.755
25 HB2 MET 5 HB2 MET 5 -3.821 -11.305 3.645
26 HB3 MET 5 HB3 MET 5 -3.439 -12.492 2.376
27 HG2 MET 5 HG2 MET 5 -3.161 -10.619 0.748
28 HG3 MET 5 HG3 MET 5 -3.461 -9.459 2.064
29 HE1 MET 5 HE1 MET 5 -1.045 -11.822 0.264
30 HE2 MET 5 HE2 MET 5 0.270 -12.066 1.438
31 HE3 MET 5 HE3 MET 5 -1.336 -12.771 1.741
32 H ALA 6 H ALA 6 -6.595 -10.748 4.166
33 HA ALA 6 HA ALA 6 -7.739 -9.010 4.939
34 HB1 ALA 6 HB1 ALA 6 -5.649 -7.406 3.447
35 HB2 ALA 6 HB2 ALA 6 -6.756 -6.789 4.695
36 HB3 ALA 6 HB3 ALA 6 -5.533 -8.010 5.117
37 H THR 7 H THR 7 -8.778 -10.207 2.525
38 HA THR 7 HA THR 7 -10.267 -9.929 0.896
39 HB THR 7 HB THR 7 -12.216 -8.684 1.361
40 HG1 THR 7 HG1 THR 7 -11.207 -6.898 2.376
41 HG21 THR 7 1HG2 THR 7 -11.067 -10.150 3.772
42 HG22 THR 7 2HG2 THR 7 -12.793 -9.852 3.459
43 HG23 THR 7 3HG2 THR 7 -11.861 -10.909 2.372
44 H THR 8 H THR 8 -7.990 -8.891 -0.032
45 HA THR 8 HA THR 8 -8.352 -6.207 -0.940
46 HB THR 8 HB THR 8 -6.559 -8.351 -2.077
47 HG1 THR 8 HG1 THR 8 -6.248 -7.967 0.162
48 HG21 THR 8 1HG2 THR 8 -6.413 -5.322 -2.158
49 HG22 THR 8 2HG2 THR 8 -5.203 -6.451 -2.812
50 HG23 THR 8 3HG2 THR 8 -6.833 -6.385 -3.522
51 H MET 9 H MET 9 -9.412 -5.463 -2.685
52 HA MET 9 HA MET 9 -10.988 -7.301 -4.299
53 HB2 MET 9 HB2 MET 9 -11.008 -4.318 -3.801
54 HB3 MET 9 HB3 MET 9 -11.802 -5.003 -5.239
55 HG2 MET 9 HG2 MET 9 -13.443 -4.775 -3.484
56 HG3 MET 9 HG3 MET 9 -13.112 -6.507 -3.720
57 HE1 MET 9 HE1 MET 9 -12.755 -3.374 -1.445
58 HE2 MET 9 HE2 MET 9 -11.716 -3.974 -0.132
59 HE3 MET 9 HE3 MET 9 -11.050 -3.764 -1.769
60 H GLU 10 H GLU 10 -7.891 -6.085 -4.468
61 HA GLU 10 HA GLU 10 -6.326 -5.756 -5.976
62 HB2 GLU 10 HB2 GLU 10 -8.024 -7.430 -7.817
63 HB3 GLU 10 HB3 GLU 10 -6.291 -7.058 -7.975
64 HG2 GLU 10 HG2 GLU 10 -5.866 -8.157 -5.784
65 HG3 GLU 10 HG3 GLU 10 -7.597 -8.551 -5.655
66 H GLN 11 H GLN 11 -8.189 -3.652 -5.615
67 HA GLN 11 HA GLN 11 -7.921 -2.380 -8.256
68 HB2 GLN 11 HB2 GLN 11 -9.862 -0.973 -7.721
69 HB3 GLN 11 HB3 GLN 11 -10.266 -2.688 -7.970
70 HG2 GLN 11 HG2 GLN 11 -10.398 -3.020 -5.546
71 HG3 GLN 11 HG3 GLN 11 -9.964 -1.314 -5.281
72 HE21 GLN 11 1HE2 GLN 11 -12.520 -3.357 -5.217
73 HE22 GLN 11 2HE2 GLN 11 -13.808 -2.273 -5.692
74 H GLU 12 H GLU 12 -6.000 -2.602 -5.971
75 HA GLU 12 HA GLU 12 -4.633 -1.376 -4.702
76 HB2 GLU 12 HB2 GLU 12 -5.059 0.614 -6.915
77 HB3 GLU 12 HB3 GLU 12 -3.766 0.657 -5.692
78 HG2 GLU 12 HG2 GLU 12 -3.006 -1.586 -6.455
79 HG3 GLU 12 HG3 GLU 12 -4.262 -1.561 -7.717
80 H ILE 13 H ILE 13 -6.768 -1.495 -3.232
81 HA ILE 13 HA ILE 13 -7.240 1.295 -2.404
82 HB ILE 13 HB ILE 13 -9.141 0.505 -1.132
83 HG12 ILE 13 2HG1 ILE 13 -8.617 -1.809 -0.705
84 HG13 ILE 13 3HG1 ILE 13 -10.182 -1.642 -1.535
85 HG21 ILE 13 1HG2 ILE 13 -9.122 -0.155 -4.100
86 HG22 ILE 13 2HG2 ILE 13 -10.570 0.189 -3.124
87 HG23 ILE 13 3HG2 ILE 13 -9.348 1.457 -3.381
88 HD11 ILE 13 3HD1 ILE 13 -9.147 -2.357 -3.631
89 HD12 ILE 13 1HD1 ILE 13 -7.582 -2.523 -2.800
90 HD13 ILE 13 2HD1 ILE 13 -8.950 -3.564 -2.339
91 H CYS 14 H CYS 14 -6.233 2.058 -0.843
92 HA CYS 14 HA CYS 14 -5.891 0.816 1.685
93 HB2 CYS 14 HB2 CYS 14 -3.356 1.366 0.125
94 HB3 CYS 14 HB3 CYS 14 -3.464 1.157 1.889
95 H ALA 15 H ALA 15 -4.401 2.506 3.027
96 HA ALA 15 HA ALA 15 -5.581 5.047 2.898
97 HB1 ALA 15 HB1 ALA 15 -2.927 4.212 4.158
98 HB2 ALA 15 HB2 ALA 15 -3.814 5.720 4.487
99 HB3 ALA 15 HB3 ALA 15 -4.514 4.154 4.962
100 H HIS 16 H HIS 16 -2.483 3.576 1.771
101 HA HIS 16 HA HIS 16 -1.713 5.979 0.302
102 HB2 HIS 16 HB2 HIS 16 -0.148 3.477 0.905
103 HB3 HIS 16 HB3 HIS 16 0.407 4.839 -0.097
104 HD1 HIS 16 HD1 HIS 16 0.796 7.099 1.174
105 HD2 HIS 16 HD2 HIS 16 -0.136 3.835 3.648
106 HE1 HIS 16 HE1 HIS 16 1.350 7.800 3.593
107 H SER 17 H SER 17 -0.482 4.964 -1.916
108 HA SER 17 HA SER 17 -2.629 4.565 -3.653
109 HB2 SER 17 HB2 SER 17 -0.907 4.327 -5.360
110 HB3 SER 17 HB3 SER 17 -0.543 5.693 -4.278
111 HG SER 17 HG SER 17 1.278 4.357 -4.669
112 H MET 18 H MET 18 -0.381 1.968 -2.532
113 HA MET 18 HA MET 18 -1.677 0.188 -4.429
114 HB2 MET 18 HB2 MET 18 0.567 -0.361 -2.512
115 HB3 MET 18 HB3 MET 18 -0.063 -1.447 -3.773
116 HG2 MET 18 HG2 MET 18 1.099 1.310 -4.300
117 HG3 MET 18 HG3 MET 18 2.000 -0.218 -4.451
118 HE1 MET 18 HE1 MET 18 -0.239 -2.160 -5.599
119 HE2 MET 18 HE2 MET 18 0.100 -2.035 -7.342
120 HE3 MET 18 HE3 MET 18 1.444 -2.115 -6.178
121 H THR 19 H THR 19 -1.675 -2.214 -3.572
122 HA THR 19 HA THR 19 -4.227 -2.432 -2.333
123 HB THR 19 HB THR 19 -3.883 -4.834 -2.608
124 HG1 THR 19 HG1 THR 19 -1.961 -5.501 -3.637
125 HG21 THR 19 1HG2 THR 19 -3.113 -3.220 -5.065
126 HG22 THR 19 2HG2 THR 19 -3.762 -4.876 -5.063
127 HG23 THR 19 3HG2 THR 19 -4.770 -3.526 -4.493
128 H PHE 20 H PHE 20 -4.588 -4.144 -0.611
129 HA PHE 20 HA PHE 20 -3.369 -3.432 1.789
130 HB2 PHE 20 HB2 PHE 20 -4.976 -5.900 1.056
131 HB3 PHE 20 HB3 PHE 20 -4.423 -5.514 2.703
132 HD1 PHE 20 HD1 PHE 20 -4.972 -3.038 3.484
133 HD2 PHE 20 HD2 PHE 20 -7.094 -5.166 0.413
134 HE1 PHE 20 HE1 PHE 20 -6.913 -1.524 3.780
135 HE2 PHE 20 HE2 PHE 20 -9.043 -3.663 0.719
136 HZ PHE 20 HZ PHE 20 -8.951 -1.838 2.398
137 H GLU 21 H GLU 21 -2.769 -6.113 -0.517
138 HA GLU 21 HA GLU 21 -0.983 -7.646 0.967
139 HB2 GLU 21 HB2 GLU 21 -1.059 -7.139 -2.051
140 HB3 GLU 21 HB3 GLU 21 -0.272 -8.510 -1.237
141 HG2 GLU 21 HG2 GLU 21 -2.461 -9.277 -0.410
142 HG3 GLU 21 HG3 GLU 21 -3.249 -7.904 -1.222
143 H GLU 22 H GLU 22 -0.592 -4.759 -1.156
144 HA GLU 22 HA GLU 22 2.299 -4.754 -0.875
145 HB2 GLU 22 HB2 GLU 22 0.398 -2.944 -2.430
146 HB3 GLU 22 HB3 GLU 22 2.174 -2.959 -2.542
147 HG2 GLU 22 HG2 GLU 22 0.373 -5.295 -3.261
148 HG3 GLU 22 HG3 GLU 22 1.062 -4.135 -4.422
149 H CYS 23 H CYS 23 -0.045 -3.827 1.309
150 HA CYS 23 HA CYS 23 0.401 -1.117 1.768
151 HB2 CYS 23 HB2 CYS 23 -0.405 -3.302 3.670
152 HB3 CYS 23 HB3 CYS 23 -0.043 -1.651 4.226
153 HA PRO 24 HA PRO 24 3.940 -2.131 4.809
154 HB2 PRO 24 HB2 PRO 24 5.608 -4.215 4.297
155 HB3 PRO 24 HB3 PRO 24 4.253 -4.293 5.448
156 HG2 PRO 24 HG2 PRO 24 4.359 -5.231 2.548
157 HG3 PRO 24 HG3 PRO 24 3.636 -6.058 3.948
158 HD2 PRO 24 HD2 PRO 24 2.095 -4.634 2.198
159 HD3 PRO 24 HD3 PRO 24 1.716 -4.697 3.936
160 H LYS 25 H LYS 25 4.267 -2.990 1.357
161 HA LYS 25 HA LYS 25 6.825 -1.862 0.949
162 HB2 LYS 25 HB2 LYS 25 4.540 -2.384 -0.971
163 HB3 LYS 25 HB3 LYS 25 6.202 -1.944 -1.427
164 HG2 LYS 25 HG2 LYS 25 7.064 -3.962 -0.309
165 HG3 LYS 25 HG3 LYS 25 5.418 -4.393 0.211
166 HD2 LYS 25 HD2 LYS 25 4.707 -4.518 -2.164
167 HD3 LYS 25 HD3 LYS 25 6.363 -4.110 -2.675
168 HE2 LYS 25 HE2 LYS 25 7.221 -6.145 -1.600
169 HE3 LYS 25 HE3 LYS 25 5.589 -6.541 -1.010
170 HZ1 LYS 25 HZ1 LYS 25 6.393 -6.335 -3.821
171 HZ2 LYS 25 HZ2 LYS 25 6.128 -7.733 -2.990
172 HZ3 LYS 25 HZ3 LYS 25 4.878 -6.694 -3.277
173 H CYS 26 H CYS 26 3.482 -0.598 0.693
174 HA CYS 26 HA CYS 26 4.106 1.951 -0.304
175 HB2 CYS 26 HB2 CYS 26 1.763 0.858 1.301
176 HB3 CYS 26 HB3 CYS 26 1.864 2.565 0.806
177 HG CYS 26 HG CYS 26 0.309 1.256 -0.826
178 H SER 27 H SER 27 4.769 0.541 2.782
179 HA SER 27 HA SER 27 5.413 1.222 4.752
180 HB2 SER 27 HB2 SER 27 5.868 3.928 3.462
181 HB3 SER 27 HB3 SER 27 6.463 3.393 5.052
182 HG SER 27 HG SER 27 8.012 3.122 3.385
183 H ALA 28 H ALA 28 2.711 1.025 4.060
184 HA ALA 28 HA ALA 28 1.106 3.175 4.888
185 HB1 ALA 28 HB1 ALA 28 0.486 0.211 4.921
186 HB2 ALA 28 HB2 ALA 28 -0.682 1.539 5.120
187 HB3 ALA 28 HB3 ALA 28 0.179 1.334 3.575
188 H LEU 29 H LEU 29 2.586 0.398 6.638
189 HA LEU 29 HA LEU 29 1.235 0.742 9.062
190 HB2 LEU 29 HB2 LEU 29 4.084 -0.260 8.587
191 HB3 LEU 29 HB3 LEU 29 3.068 -0.584 10.011
192 HG LEU 29 HG LEU 29 2.445 -1.468 7.166
193 HD11 LEU 29 1HD1 LEU 29 3.416 -3.010 9.615
194 HD12 LEU 29 2HD1 LEU 29 2.972 -3.727 8.048
195 HD13 LEU 29 3HD1 LEU 29 4.383 -2.648 8.165
196 HD21 LEU 29 3HD2 LEU 29 1.088 -2.115 9.811
197 HD22 LEU 29 1HD2 LEU 29 0.423 -1.080 8.525
198 HD23 LEU 29 2HD2 LEU 29 0.679 -2.816 8.228
199 H GLN 30 H GLN 30 4.387 2.034 7.830
200 HA GLN 30 HA GLN 30 5.064 3.491 10.149
201 HB2 GLN 30 HB2 GLN 30 6.021 3.805 7.297
202 HB3 GLN 30 HB3 GLN 30 6.698 4.611 8.719
203 HG2 GLN 30 HG2 GLN 30 7.255 2.396 9.698
204 HG3 GLN 30 HG3 GLN 30 6.646 1.614 8.222
205 HE21 GLN 30 1HE2 GLN 30 9.364 3.086 9.733
206 HE22 GLN 30 2HE2 GLN 30 10.398 3.205 8.327
207 H TYR 31 H TYR 31 3.274 4.374 7.176
208 HA TYR 31 HA TYR 31 2.121 6.167 6.558
209 HB2 TYR 31 HB2 TYR 31 2.039 6.980 9.430
210 HB3 TYR 31 HB3 TYR 31 1.298 7.867 8.088
211 HD1 TYR 31 HD2 TYR 31 -0.295 6.621 6.533
212 HD2 TYR 31 HD1 TYR 31 0.874 5.134 10.394
213 HE1 TYR 31 HE2 TYR 31 -2.260 5.111 6.534
214 HE2 TYR 31 HE1 TYR 31 -1.093 3.625 10.413
215 HH TYR 31 HH TYR 31 -2.949 2.894 9.272
216 H ARG 32 H ARG 32 5.177 6.049 6.819
217 HA ARG 32 HA ARG 32 5.716 8.887 6.356
218 HB2 ARG 32 HB2 ARG 32 7.081 7.760 8.184
219 HB3 ARG 32 HB3 ARG 32 7.612 6.556 7.003
220 HG2 ARG 32 HG2 ARG 32 8.639 8.428 5.650
221 HG3 ARG 32 HG3 ARG 32 8.172 9.551 6.957
222 HD2 ARG 32 HD2 ARG 32 10.436 8.875 7.423
223 HD3 ARG 32 HD3 ARG 32 9.403 8.016 8.569
224 HE ARG 32 HE ARG 32 9.567 6.260 6.472
225 HH11 ARG 32 1HH1 ARG 32 11.996 7.980 8.397
226 HH12 ARG 32 2HH1 ARG 32 13.199 6.720 8.233
227 HH21 ARG 32 1HH2 ARG 32 11.145 4.617 6.270
228 HH22 ARG 32 2HH2 ARG 32 12.714 4.806 7.021
229 H ASN 33 H ASN 33 5.956 9.059 3.968
230 HA ASN 33 HA ASN 33 6.033 6.521 2.533
231 HB2 ASN 33 HB2 ASN 33 5.737 9.286 1.419
232 HB3 ASN 33 HB3 ASN 33 5.881 7.789 0.469
233 HD21 ASN 33 1HD2 ASN 33 4.308 6.039 0.886
234 HD22 ASN 33 2HD2 ASN 33 2.685 6.455 1.389
235 H GLY 34 H GLY 34 7.552 5.522 1.743
236 HA2 GLY 34 HA2 GLY 34 10.236 6.174 2.103
237 HA3 GLY 34 HA3 GLY 34 9.563 4.870 1.106
238 H PHE 35 H PHE 35 8.018 6.458 -0.711
239 HA PHE 35 HA PHE 35 10.060 7.263 -2.549
240 HB2 PHE 35 HB2 PHE 35 8.275 7.777 -4.110
241 HB3 PHE 35 HB3 PHE 35 8.210 6.124 -3.492
242 HD1 PHE 35 HD1 PHE 35 6.668 9.506 -3.140
243 HD2 PHE 35 HD2 PHE 35 6.307 5.294 -2.356
244 HE1 PHE 35 HE1 PHE 35 4.318 9.840 -2.423
245 HE2 PHE 35 HE2 PHE 35 3.956 5.629 -1.642
246 HZ PHE 35 HZ PHE 35 2.961 7.902 -1.673
247 H TYR 36 H TYR 36 9.959 9.242 -3.801
248 HA TYR 36 HA TYR 36 10.331 11.426 -3.981
249 HB2 TYR 36 HB2 TYR 36 7.903 11.623 -3.850
250 HB3 TYR 36 HB3 TYR 36 8.007 11.792 -2.095
251 HD1 TYR 36 HD1 TYR 36 9.542 13.295 -5.186
252 HD2 TYR 36 HD2 TYR 36 7.945 13.942 -1.248
253 HE1 TYR 36 HE1 TYR 36 9.818 15.741 -5.484
254 HE2 TYR 36 HE2 TYR 36 8.233 16.390 -1.524
255 HH TYR 36 HH TYR 36 9.534 17.816 -4.549
256 H LEU 37 H LEU 37 12.280 10.548 -3.022
257 HA LEU 37 HA LEU 37 12.991 10.617 -0.353
258 HB2 LEU 37 HB2 LEU 37 14.702 11.070 -2.840
259 HB3 LEU 37 HB3 LEU 37 15.334 10.750 -1.213
260 HG LEU 37 HG LEU 37 13.504 8.866 -2.766
261 HD11 LEU 37 1HD1 LEU 37 16.505 8.763 -2.236
262 HD12 LEU 37 2HD1 LEU 37 15.546 7.499 -3.042
263 HD13 LEU 37 3HD1 LEU 37 15.735 9.093 -3.806
264 HD21 LEU 37 3HD2 LEU 37 15.083 8.525 -0.175
265 HD22 LEU 37 1HD2 LEU 37 13.310 8.596 -0.316
266 HD23 LEU 37 2HD2 LEU 37 14.201 7.231 -1.017
267 H LEU 38 H LEU 38 13.295 13.201 -2.905
268 HA LEU 38 HA LEU 38 14.561 14.964 -0.996
269 HB2 LEU 38 HB2 LEU 38 13.593 15.515 -3.815
270 HB3 LEU 38 HB3 LEU 38 14.539 16.612 -2.798
271 HG LEU 38 HG LEU 38 15.452 13.873 -3.779
272 HD11 LEU 38 1HD1 LEU 38 16.248 16.703 -4.592
273 HD12 LEU 38 2HD1 LEU 38 16.979 15.201 -5.205
274 HD13 LEU 38 3HD1 LEU 38 15.278 15.574 -5.567
275 HD21 LEU 38 3HD2 LEU 38 16.899 16.069 -2.231
276 HD22 LEU 38 1HD2 LEU 38 16.487 14.445 -1.625
277 HD23 LEU 38 2HD2 LEU 38 17.675 14.628 -2.929
278 H LYS 39 H LYS 39 12.817 14.892 0.634
279 HA LYS 39 HA LYS 39 10.366 16.280 -0.142
280 HB2 LYS 39 HB2 LYS 39 11.140 15.169 2.576
281 HB3 LYS 39 HB3 LYS 39 9.589 15.917 2.130
282 HG2 LYS 39 HG2 LYS 39 9.307 14.131 0.386
283 HG3 LYS 39 HG3 LYS 39 10.793 13.365 1.002
284 HD2 LYS 39 HD2 LYS 39 9.764 13.061 3.204
285 HD3 LYS 39 HD3 LYS 39 8.298 13.913 2.662
286 HE2 LYS 39 HE2 LYS 39 7.929 12.179 0.934
287 HE3 LYS 39 HE3 LYS 39 9.386 11.323 1.482
288 HZ1 LYS 39 HZ1 LYS 39 7.412 10.393 2.427
289 HZ2 LYS 39 HZ2 LYS 39 6.989 11.840 3.098
290 HZ3 LYS 39 HZ3 LYS 39 8.344 11.055 3.615
291 H TYR 40 H TYR 40 10.658 18.438 -0.248
292 HA TYR 40 HA TYR 40 12.782 19.829 1.010
293 HB2 TYR 40 HB2 TYR 40 10.346 20.858 -0.432
294 HB3 TYR 40 HB3 TYR 40 11.732 21.826 0.113
295 HD1 TYR 40 HD2 TYR 40 13.992 21.442 -0.841
296 HD2 TYR 40 HD1 TYR 40 10.540 19.367 -2.337
297 HE1 TYR 40 HE2 TYR 40 15.306 20.688 -2.803
298 HE2 TYR 40 HE1 TYR 40 11.841 18.601 -4.303
299 HH TYR 40 HH TYR 40 13.882 18.601 -5.354
300 H ASP 41 H ASP 41 9.356 19.369 1.903
301 HA ASP 41 HA ASP 41 9.275 21.299 3.934
302 HB2 ASP 41 HB2 ASP 41 7.771 18.655 3.771
303 HB3 ASP 41 HB3 ASP 41 7.335 20.065 4.757
304 H GLU 42 H GLU 42 10.202 17.792 3.950
305 HA GLU 42 HA GLU 42 10.632 17.722 6.789
306 HB2 GLU 42 HB2 GLU 42 11.576 15.780 4.649
307 HB3 GLU 42 HB3 GLU 42 11.559 15.505 6.400
308 HG2 GLU 42 HG2 GLU 42 9.129 15.935 4.612
309 HG3 GLU 42 HG3 GLU 42 9.648 14.397 5.323
310 H GLU 43 H GLU 43 12.700 17.694 7.848
311 HA GLU 43 HA GLU 43 14.823 18.864 6.183
312 HB2 GLU 43 HB2 GLU 43 14.186 20.207 8.140
313 HB3 GLU 43 HB3 GLU 43 14.589 18.841 9.205
314 HG2 GLU 43 HG2 GLU 43 16.915 18.857 8.312
315 HG3 GLU 43 HG3 GLU 43 16.501 20.246 7.290
316 H TRP 44 H TRP 44 16.438 17.739 5.610
317 HA TRP 44 HA TRP 44 17.745 16.006 5.120
318 HB2 TRP 44 HB2 TRP 44 18.116 16.146 8.055
319 HB3 TRP 44 HB3 TRP 44 18.991 15.018 7.064
320 HD1 TRP 44 HD1 TRP 44 18.738 17.898 4.916
321 HE1 TRP 44 HE1 TRP 44 20.778 19.410 5.049
322 HE3 TRP 44 HE3 TRP 44 20.806 16.068 9.223
323 HZ2 TRP 44 HZ2 TRP 44 23.051 19.787 6.808
324 HZ3 TRP 44 HZ3 TRP 44 22.908 17.024 10.096
325 HH2 TRP 44 HH2 TRP 44 24.040 18.878 8.903
326 H TYR 45 H TYR 45 15.106 15.196 4.814
327 HA TYR 45 HA TYR 45 14.738 12.640 5.980
328 HB2 TYR 45 HB2 TYR 45 12.884 13.938 5.061
329 HB3 TYR 45 HB3 TYR 45 13.551 13.765 3.432
330 HD1 TYR 45 HD1 TYR 45 12.843 11.544 6.381
331 HD2 TYR 45 HD2 TYR 45 12.561 12.099 2.128
332 HE1 TYR 45 HE1 TYR 45 11.745 9.343 6.168
333 HE2 TYR 45 HE2 TYR 45 11.415 9.913 1.909
334 HH TYR 45 HH TYR 45 10.603 8.061 3.022
335 HA PRO 46 HA PRO 46 16.870 10.929 1.990
336 HB2 PRO 46 HB2 PRO 46 18.859 13.114 1.450
337 HB3 PRO 46 HB3 PRO 46 18.022 12.046 0.273
338 HG2 PRO 46 HG2 PRO 46 17.254 14.638 0.603
339 HG3 PRO 46 HG3 PRO 46 16.041 13.334 0.396
340 HD2 PRO 46 HD2 PRO 46 16.934 14.681 2.951
341 HD3 PRO 46 HD3 PRO 46 15.280 14.237 2.427
342 H GLU 47 H GLU 47 18.700 13.171 4.133
343 HA GLU 47 HA GLU 47 21.000 11.563 4.362
344 HB2 GLU 47 HB2 GLU 47 19.929 13.790 6.039
345 HB3 GLU 47 HB3 GLU 47 21.395 12.891 6.427
346 HG2 GLU 47 HG2 GLU 47 22.173 14.774 5.287
347 HG3 GLU 47 HG3 GLU 47 22.246 13.468 4.098
348 H GLU 48 H GLU 48 17.931 11.651 6.291
349 HA GLU 48 HA GLU 48 18.882 9.867 8.253
350 HB2 GLU 48 HB2 GLU 48 16.063 10.374 7.303
351 HB3 GLU 48 HB3 GLU 48 16.500 9.295 8.647
352 HG2 GLU 48 HG2 GLU 48 17.578 11.145 9.834
353 HG3 GLU 48 HG3 GLU 48 17.231 12.245 8.494
354 H LEU 49 H LEU 49 17.187 9.307 5.082
355 HA LEU 49 HA LEU 49 17.071 6.486 5.460
356 HB2 LEU 49 HB2 LEU 49 16.904 8.025 2.893
357 HB3 LEU 49 HB3 LEU 49 16.575 6.297 3.114
358 HG LEU 49 HG LEU 49 15.070 8.554 4.509
359 HD11 LEU 49 1HD1 LEU 49 14.348 6.759 2.151
360 HD12 LEU 49 2HD1 LEU 49 13.236 7.887 2.958
361 HD13 LEU 49 3HD1 LEU 49 14.656 8.512 2.092
362 HD21 LEU 49 3HD2 LEU 49 14.598 5.541 4.391
363 HD22 LEU 49 1HD2 LEU 49 15.054 6.481 5.834
364 HD23 LEU 49 2HD2 LEU 49 13.468 6.729 5.081
365 H LEU 50 H LEU 50 19.566 8.558 3.879
366 HA LEU 50 HA LEU 50 21.008 6.396 2.786
367 HB2 LEU 50 HB2 LEU 50 21.895 9.195 3.547
368 HB3 LEU 50 HB3 LEU 50 22.940 8.009 2.744
369 HG LEU 50 HG LEU 50 20.261 8.901 1.606
370 HD11 LEU 50 1HD1 LEU 50 23.078 9.890 0.990
371 HD12 LEU 50 2HD1 LEU 50 21.603 10.330 0.098
372 HD13 LEU 50 3HD1 LEU 50 21.796 10.826 1.795
373 HD21 LEU 50 3HD2 LEU 50 22.668 7.465 0.407
374 HD22 LEU 50 1HD2 LEU 50 21.081 6.738 0.755
375 HD23 LEU 50 2HD2 LEU 50 21.227 7.990 -0.494
376 H THR 51 H THR 51 22.372 5.001 3.603
377 HA THR 51 HA THR 51 22.840 4.744 6.377
378 HB THR 51 HB THR 51 24.191 3.434 4.005
379 HG1 THR 51 HG1 THR 51 22.666 1.797 4.490
380 HG21 THR 51 1HG2 THR 51 24.019 2.665 6.951
381 HG22 THR 51 2HG2 THR 51 24.709 1.654 5.661
382 HG23 THR 51 3HG2 THR 51 25.485 3.193 6.092
383 H ASP 52 H ASP 52 24.854 5.932 3.583
384 HA ASP 52 HA ASP 52 26.751 6.963 5.585
385 HB2 ASP 52 HB2 ASP 52 27.805 5.157 4.287
386 HB3 ASP 52 HB3 ASP 52 27.385 5.994 2.778
387 H GLY 53 H GLY 53 27.103 9.130 5.449
388 HA2 GLY 53 HA2 GLY 53 25.563 10.595 3.451
389 HA3 GLY 53 HA3 GLY 53 26.096 11.172 5.026
390 H GLU 54 H GLU 54 28.671 9.539 3.231
391 HA GLU 54 HA GLU 54 30.218 11.884 3.202
392 HB2 GLU 54 HB2 GLU 54 31.200 9.626 3.203
393 HB3 GLU 54 HB3 GLU 54 30.633 9.392 1.535
394 HG2 GLU 54 HG2 GLU 54 31.973 11.345 0.807
395 HG3 GLU 54 HG3 GLU 54 32.523 11.591 2.475
396 H ASP 55 H ASP 55 28.313 10.382 0.487
397 HA ASP 55 HA ASP 55 29.282 12.217 -1.441
398 HB2 ASP 55 HB2 ASP 55 26.605 10.772 -1.403
399 HB3 ASP 55 HB3 ASP 55 27.381 11.535 -2.804
400 H ASP 56 H ASP 56 26.306 12.215 0.656
401 HA ASP 56 HA ASP 56 25.699 14.904 -0.328
402 HB2 ASP 56 HB2 ASP 56 24.034 13.061 1.390
403 HB3 ASP 56 HB3 ASP 56 23.587 14.699 0.878
404 H VAL 57 H VAL 57 27.939 15.437 0.818
405 HA VAL 57 HA VAL 57 27.040 16.731 3.277
406 HB VAL 57 HB VAL 57 28.181 14.592 3.972
407 HG11 VAL 57 1HG1 VAL 57 30.689 16.156 3.269
408 HG12 VAL 57 2HG1 VAL 57 30.576 14.505 3.916
409 HG13 VAL 57 3HG1 VAL 57 30.053 14.859 2.249
410 HG21 VAL 57 3HG2 VAL 57 29.341 17.234 4.926
411 HG22 VAL 57 1HG2 VAL 57 27.783 16.545 5.439
412 HG23 VAL 57 2HG2 VAL 57 29.301 15.702 5.822
413 H PHE 58 H PHE 58 28.347 18.548 3.762
414 HA PHE 58 HA PHE 58 29.215 20.050 1.523
415 HB2 PHE 58 HB2 PHE 58 29.613 20.524 4.529
416 HB3 PHE 58 HB3 PHE 58 29.779 21.740 3.253
417 HD1 PHE 58 HD2 PHE 58 27.776 22.555 2.021
418 HD2 PHE 58 HD1 PHE 58 27.455 19.884 5.375
419 HE1 PHE 58 HE2 PHE 58 25.366 23.106 2.230
420 HE2 PHE 58 HE1 PHE 58 25.046 20.435 5.582
421 HZ PHE 58 HZ PHE 58 24.000 22.046 4.010
422 H ASP 59 H ASP 59 31.543 20.773 1.232
423 HA ASP 59 HA ASP 59 33.460 18.762 1.705
424 HB2 ASP 59 HB2 ASP 59 34.018 21.620 0.943
425 HB3 ASP 59 HB3 ASP 59 35.111 20.227 0.818
426 HA PRO 60 HA PRO 60 35.422 21.409 5.114
427 HB2 PRO 60 HB2 PRO 60 33.814 22.888 6.785
428 HB3 PRO 60 HB3 PRO 60 34.653 23.547 5.338
429 HG2 PRO 60 HG2 PRO 60 31.800 22.554 5.556
430 HG3 PRO 60 HG3 PRO 60 32.385 24.079 4.809
431 HD2 PRO 60 HD2 PRO 60 31.827 21.897 3.310
432 HD3 PRO 60 HD3 PRO 60 33.250 22.912 2.926
433 H ASP 61 H ASP 61 32.218 19.836 5.654
434 HA ASP 61 HA ASP 61 33.494 18.739 8.081
435 HB2 ASP 61 HB2 ASP 61 30.528 18.918 7.492
436 HB3 ASP 61 HB3 ASP 61 31.288 18.211 8.933
437 H LEU 62 H LEU 62 34.031 16.678 8.109
438 HA LEU 62 HA LEU 62 32.814 14.969 6.039
439 HB2 LEU 62 HB2 LEU 62 35.529 14.649 7.325
440 HB3 LEU 62 HB3 LEU 62 34.780 13.548 6.152
441 HG LEU 62 HG LEU 62 35.485 16.476 5.649
442 HD11 LEU 62 1HD1 LEU 62 36.758 13.887 4.666
443 HD12 LEU 62 2HD1 LEU 62 37.232 15.532 4.178
444 HD13 LEU 62 3HD1 LEU 62 37.457 15.004 5.862
445 HD21 LEU 62 3HD2 LEU 62 34.414 14.305 3.792
446 HD22 LEU 62 1HD2 LEU 62 33.554 15.783 4.290
447 HD23 LEU 62 2HD2 LEU 62 34.999 15.902 3.270
448 H ASP 63 H ASP 63 31.513 13.496 6.730
449 HA ASP 63 HA ASP 63 30.810 13.073 9.389
450 HB2 ASP 63 HB2 ASP 63 30.279 11.480 6.864
451 HB3 ASP 63 HB3 ASP 63 29.633 11.039 8.443
452 H MET 64 H MET 64 32.997 11.225 7.188
453 HA MET 64 HA MET 64 33.319 8.968 8.790
454 HB2 MET 64 HB2 MET 64 35.342 10.328 6.951
455 HB3 MET 64 HB3 MET 64 35.472 8.676 7.592
456 HG2 MET 64 HG2 MET 64 33.356 8.075 6.473
457 HG3 MET 64 HG3 MET 64 33.230 9.711 5.815
458 HE1 MET 64 HE1 MET 64 36.205 10.422 5.009
459 HE2 MET 64 HE2 MET 64 36.181 9.922 3.303
460 HE3 MET 64 HE3 MET 64 34.764 10.733 4.011
461 H GLU 65 H GLU 65 35.123 12.096 8.646
462 HA GLU 65 HA GLU 65 37.159 11.422 10.455
463 HB2 GLU 65 HB2 GLU 65 36.042 14.152 9.710
464 HB3 GLU 65 HB3 GLU 65 37.566 13.842 10.570
465 HG2 GLU 65 HG2 GLU 65 36.883 12.882 7.758
466 HG3 GLU 65 HG3 GLU 65 37.956 14.234 8.161
467 H VAL 66 H VAL 66 33.963 13.095 11.022
468 HA VAL 66 HA VAL 66 34.803 13.133 13.853
469 HB VAL 66 HB VAL 66 32.608 14.727 12.504
470 HG11 VAL 66 1HG1 VAL 66 33.876 14.880 15.274
471 HG12 VAL 66 2HG1 VAL 66 32.640 15.988 14.634
472 HG13 VAL 66 3HG1 VAL 66 32.243 14.282 14.913
473 HG21 VAL 66 3HG2 VAL 66 35.416 15.523 13.385
474 HG22 VAL 66 1HG2 VAL 66 34.830 15.431 11.707
475 HG23 VAL 66 2HG2 VAL 66 34.157 16.643 12.816
476 H VAL 67 H VAL 67 33.932 11.692 15.137
477 HA VAL 67 HA VAL 67 31.989 9.804 14.355
478 HB VAL 67 HB VAL 67 33.067 10.543 17.090
479 HG11 VAL 67 1HG1 VAL 67 31.556 8.091 16.091
480 HG12 VAL 67 2HG1 VAL 67 32.301 8.258 17.698
481 HG13 VAL 67 3HG1 VAL 67 30.944 9.306 17.238
482 HG21 VAL 67 3HG2 VAL 67 33.865 8.390 15.084
483 HG22 VAL 67 1HG2 VAL 67 34.825 9.826 15.511
484 HG23 VAL 67 2HG2 VAL 67 34.524 8.566 16.727
485 H PHE 68 H PHE 68 31.917 12.854 16.294
486 HA PHE 68 HA PHE 68 29.193 12.574 17.096
487 HB2 PHE 68 HB2 PHE 68 30.974 15.023 17.070
488 HB3 PHE 68 HB3 PHE 68 29.392 14.884 17.852
489 HD1 PHE 68 HD1 PHE 68 32.939 13.871 17.981
490 HD2 PHE 68 HD2 PHE 68 29.102 13.582 19.898
491 HE1 PHE 68 HE1 PHE 68 34.025 12.953 20.014
492 HE2 PHE 68 HE2 PHE 68 30.188 12.666 21.932
493 HZ PHE 68 HZ PHE 68 32.649 12.352 21.990
494 H GLU 69 H GLU 69 27.393 13.540 16.349
495 HA GLU 69 HA GLU 69 25.905 14.175 14.813
496 HB2 GLU 69 HB2 GLU 69 27.900 16.323 14.131
497 HB3 GLU 69 HB3 GLU 69 26.169 16.289 13.728
498 HG2 GLU 69 HG2 GLU 69 25.608 16.227 16.137
499 HG3 GLU 69 HG3 GLU 69 27.337 16.279 16.541
500 H THR 70 H THR 70 27.298 11.919 13.922
501 HA THR 70 HA THR 70 28.083 12.367 11.189
502 HB THR 70 HB THR 70 27.403 9.816 12.653
503 HG1 THR 70 HG1 THR 70 29.331 10.901 13.246
504 HG21 THR 70 1HG2 THR 70 28.454 10.307 9.844
505 HG22 THR 70 2HG2 THR 70 28.443 8.725 10.656
506 HG23 THR 70 3HG2 THR 70 26.912 9.543 10.275
507 H GLN 71 H GLN 71 26.634 12.396 9.445
508 HA GLN 71 HA GLN 71 23.820 12.492 10.059
509 HB2 GLN 71 HB2 GLN 71 25.056 12.456 7.300
510 HB3 GLN 71 HB3 GLN 71 23.446 13.021 7.760
511 HG2 GLN 71 HG2 GLN 71 24.427 14.949 8.907
512 HG3 GLN 71 HG3 GLN 71 26.065 14.325 8.608
513 HE21 GLN 71 1HE2 GLN 71 26.540 13.803 6.199
514 HE22 GLN 71 2HE2 GLN 71 25.991 14.988 5.034
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 -15.461 -7.188 -0.294
2 H2 GLY 1 H2 GLY 1 -16.280 -8.386 -1.168
3 H3 GLY 1 H3 GLY 1 -14.749 -8.708 -0.539
4 HA2 GLY 1 HA3 GLY 1 -15.459 -6.870 -2.755
5 HA3 GLY 1 HA2 GLY 1 -13.851 -6.909 -1.996
6 H SER 2 H SER 2 -12.538 -7.844 -3.506
7 HA SER 2 HA SER 2 -13.449 -10.075 -5.086
8 HB2 SER 2 HB2 SER 2 -11.888 -8.330 -6.001
9 HB3 SER 2 HB3 SER 2 -10.646 -8.926 -4.875
10 HG SER 2 HG SER 2 -10.522 -9.905 -6.940
11 H THR 3 H THR 3 -11.951 -12.088 -5.146
12 HA THR 3 HA THR 3 -11.765 -13.107 -2.437
13 HB THR 3 HB THR 3 -11.193 -14.475 -5.063
14 HG1 THR 3 HG1 THR 3 -13.363 -13.761 -4.804
15 HG21 THR 3 1HG2 THR 3 -11.697 -15.523 -2.246
16 HG22 THR 3 2HG2 THR 3 -11.472 -16.518 -3.704
17 HG23 THR 3 3HG2 THR 3 -10.131 -15.522 -3.089
18 H ALA 4 H ALA 4 -10.170 -11.435 -1.945
19 HA ALA 4 HA ALA 4 -7.446 -12.325 -2.465
20 HB1 ALA 4 HB1 ALA 4 -8.375 -9.420 -2.595
21 HB2 ALA 4 HB2 ALA 4 -6.688 -9.985 -2.638
22 HB3 ALA 4 HB3 ALA 4 -7.793 -10.379 -3.976
23 H MET 5 H MET 5 -6.056 -11.538 -0.656
24 HA MET 5 HA MET 5 -7.317 -11.766 1.852
25 HB2 MET 5 HB2 MET 5 -5.187 -11.317 2.847
26 HB3 MET 5 HB3 MET 5 -4.956 -12.417 1.468
27 HG2 MET 5 HG2 MET 5 -4.356 -10.457 0.042
28 HG3 MET 5 HG3 MET 5 -4.513 -9.400 1.465
29 HE1 MET 5 HE1 MET 5 -2.434 -11.914 -0.539
30 HE2 MET 5 HE2 MET 5 -1.202 -12.471 0.618
31 HE3 MET 5 HE3 MET 5 -2.903 -12.949 0.831
32 H ALA 6 H ALA 6 -7.858 -10.398 3.392
33 HA ALA 6 HA ALA 6 -8.748 -8.591 4.325
34 HB1 ALA 6 HB1 ALA 6 -6.401 -7.185 3.026
35 HB2 ALA 6 HB2 ALA 6 -7.435 -6.532 4.319
36 HB3 ALA 6 HB3 ALA 6 -6.421 -7.962 4.627
37 H THR 7 H THR 7 -9.891 -9.371 1.790
38 HA THR 7 HA THR 7 -11.279 -8.710 0.182
39 HB THR 7 HB THR 7 -13.029 -7.234 0.751
40 HG1 THR 7 HG1 THR 7 -11.790 -5.732 1.953
41 HG21 THR 7 1HG2 THR 7 -12.177 -9.089 3.012
42 HG22 THR 7 2HG2 THR 7 -13.831 -8.502 2.713
43 HG23 THR 7 3HG2 THR 7 -13.040 -9.576 1.534
44 H THR 8 H THR 8 -8.848 -7.945 -0.611
45 HA THR 8 HA THR 8 -8.778 -5.160 -1.245
46 HB THR 8 HB THR 8 -7.299 -7.429 -2.575
47 HG1 THR 8 HG1 THR 8 -6.992 -7.320 -0.305
48 HG21 THR 8 1HG2 THR 8 -6.696 -4.465 -2.346
49 HG22 THR 8 2HG2 THR 8 -5.653 -5.695 -3.098
50 HG23 THR 8 3HG2 THR 8 -7.236 -5.311 -3.815
51 H MET 9 H MET 9 -9.667 -4.095 -2.916
52 HA MET 9 HA MET 9 -11.459 -5.502 -4.726
53 HB2 MET 9 HB2 MET 9 -11.043 -2.615 -3.928
54 HB3 MET 9 HB3 MET 9 -11.893 -3.025 -5.436
55 HG2 MET 9 HG2 MET 9 -13.526 -2.725 -3.685
56 HG3 MET 9 HG3 MET 9 -13.454 -4.455 -4.092
57 HE1 MET 9 HE1 MET 9 -12.689 -1.652 -1.507
58 HE2 MET 9 HE2 MET 9 -11.787 -2.530 -0.250
59 HE3 MET 9 HE3 MET 9 -11.054 -2.265 -1.850
60 H GLU 10 H GLU 10 -8.211 -4.762 -4.737
61 HA GLU 10 HA GLU 10 -6.576 -4.528 -6.187
62 HB2 GLU 10 HB2 GLU 10 -8.458 -5.733 -8.207
63 HB3 GLU 10 HB3 GLU 10 -6.685 -5.616 -8.307
64 HG2 GLU 10 HG2 GLU 10 -6.488 -6.978 -6.235
65 HG3 GLU 10 HG3 GLU 10 -8.261 -7.114 -6.165
66 H GLN 11 H GLN 11 -8.110 -2.210 -5.634
67 HA GLN 11 HA GLN 11 -7.584 -0.740 -8.129
68 HB2 GLN 11 HB2 GLN 11 -9.304 0.888 -7.475
69 HB3 GLN 11 HB3 GLN 11 -9.955 -0.713 -7.901
70 HG2 GLN 11 HG2 GLN 11 -10.199 -1.258 -5.525
71 HG3 GLN 11 HG3 GLN 11 -9.520 0.326 -5.084
72 HE21 GLN 11 1HE2 GLN 11 -12.355 -1.299 -5.255
73 HE22 GLN 11 2HE2 GLN 11 -13.453 0.010 -5.631
74 H GLU 12 H GLU 12 -5.779 -1.476 -5.858
75 HA GLU 12 HA GLU 12 -4.276 -0.605 -4.456
76 HB2 GLU 12 HB2 GLU 12 -4.340 1.635 -6.460
77 HB3 GLU 12 HB3 GLU 12 -3.087 1.360 -5.225
78 HG2 GLU 12 HG2 GLU 12 -2.655 -0.886 -6.204
79 HG3 GLU 12 HG3 GLU 12 -3.858 -0.546 -7.470
80 H ILE 13 H ILE 13 -6.443 -0.542 -3.029
81 HA ILE 13 HA ILE 13 -6.510 2.193 -1.927
82 HB ILE 13 HB ILE 13 -8.541 1.579 -0.762
83 HG12 ILE 13 2HG1 ILE 13 -8.383 -0.818 -0.567
84 HG13 ILE 13 3HG1 ILE 13 -9.883 -0.333 -1.392
85 HG21 ILE 13 1HG2 ILE 13 -8.544 1.221 -3.782
86 HG22 ILE 13 2HG2 ILE 13 -9.949 1.684 -2.792
87 HG23 ILE 13 3HG2 ILE 13 -8.544 2.769 -2.905
88 HD11 ILE 13 3HD1 ILE 13 -8.913 -0.987 -3.539
89 HD12 ILE 13 1HD1 ILE 13 -7.413 -1.472 -2.712
90 HD13 ILE 13 2HD1 ILE 13 -8.933 -2.332 -2.375
91 H CYS 14 H CYS 14 -5.441 2.635 -0.286
92 HA CYS 14 HA CYS 14 -5.356 1.111 2.107
93 HB2 CYS 14 HB2 CYS 14 -2.727 1.420 0.638
94 HB3 CYS 14 HB3 CYS 14 -2.911 1.057 2.370
95 H ALA 15 H ALA 15 -3.664 2.413 3.630
96 HA ALA 15 HA ALA 15 -4.444 5.105 3.747
97 HB1 ALA 15 HB1 ALA 15 -1.980 3.754 4.944
98 HB2 ALA 15 HB2 ALA 15 -2.637 5.340 5.415
99 HB3 ALA 15 HB3 ALA 15 -3.577 3.860 5.720
100 H HIS 16 H HIS 16 -1.574 3.297 2.510
101 HA HIS 16 HA HIS 16 -0.413 5.687 1.301
102 HB2 HIS 16 HB2 HIS 16 0.741 2.929 1.663
103 HB3 HIS 16 HB3 HIS 16 1.520 4.283 0.811
104 HD1 HIS 16 HD1 HIS 16 2.212 6.320 2.309
105 HD2 HIS 16 HD2 HIS 16 0.735 3.009 4.428
106 HE1 HIS 16 HE1 HIS 16 2.802 6.686 4.793
107 H SER 17 H SER 17 0.708 4.721 -0.996
108 HA SER 17 HA SER 17 -1.428 4.828 -2.787
109 HB2 SER 17 HB2 SER 17 0.282 4.500 -4.491
110 HB3 SER 17 HB3 SER 17 0.820 5.681 -3.272
111 HG SER 17 HG SER 17 2.428 4.128 -3.777
112 H MET 18 H MET 18 0.373 1.821 -1.912
113 HA MET 18 HA MET 18 -1.126 0.455 -3.994
114 HB2 MET 18 HB2 MET 18 0.958 -0.617 -2.118
115 HB3 MET 18 HB3 MET 18 0.205 -1.463 -3.490
116 HG2 MET 18 HG2 MET 18 1.783 1.123 -3.721
117 HG3 MET 18 HG3 MET 18 2.447 -0.502 -4.017
118 HE1 MET 18 HE1 MET 18 -0.028 -1.957 -5.381
119 HE2 MET 18 HE2 MET 18 0.370 -1.714 -7.098
120 HE3 MET 18 HE3 MET 18 1.656 -2.113 -5.934
121 H THR 19 H THR 19 -1.509 -1.991 -3.385
122 HA THR 19 HA THR 19 -4.096 -1.939 -2.202
123 HB THR 19 HB THR 19 -4.111 -4.327 -2.717
124 HG1 THR 19 HG1 THR 19 -2.285 -5.173 -3.787
125 HG21 THR 19 1HG2 THR 19 -3.043 -2.614 -4.989
126 HG22 THR 19 2HG2 THR 19 -3.934 -4.144 -5.162
127 HG23 THR 19 3HG2 THR 19 -4.741 -2.718 -4.468
128 H PHE 20 H PHE 20 -4.756 -3.737 -0.667
129 HA PHE 20 HA PHE 20 -3.507 -3.461 1.805
130 HB2 PHE 20 HB2 PHE 20 -5.447 -5.570 0.808
131 HB3 PHE 20 HB3 PHE 20 -4.885 -5.437 2.491
132 HD1 PHE 20 HD1 PHE 20 -5.075 -2.996 3.515
133 HD2 PHE 20 HD2 PHE 20 -7.412 -4.462 0.221
134 HE1 PHE 20 HE1 PHE 20 -6.774 -1.241 3.942
135 HE2 PHE 20 HE2 PHE 20 -9.120 -2.717 0.656
136 HZ PHE 20 HZ PHE 20 -8.798 -1.103 2.513
137 H GLU 21 H GLU 21 -3.257 -5.960 -0.755
138 HA GLU 21 HA GLU 21 -1.762 -7.888 0.585
139 HB2 GLU 21 HB2 GLU 21 -1.682 -7.078 -2.366
140 HB3 GLU 21 HB3 GLU 21 -1.132 -8.628 -1.688
141 HG2 GLU 21 HG2 GLU 21 -3.432 -9.130 -0.966
142 HG3 GLU 21 HG3 GLU 21 -3.983 -7.579 -1.643
143 H GLU 22 H GLU 22 -0.885 -4.898 -1.229
144 HA GLU 22 HA GLU 22 1.965 -5.362 -0.917
145 HB2 GLU 22 HB2 GLU 22 0.400 -3.138 -2.301
146 HB3 GLU 22 HB3 GLU 22 2.156 -3.414 -2.395
147 HG2 GLU 22 HG2 GLU 22 0.043 -5.364 -3.367
148 HG3 GLU 22 HG3 GLU 22 0.929 -4.214 -4.397
149 H CYS 23 H CYS 23 -0.268 -4.309 1.324
150 HA CYS 23 HA CYS 23 0.569 -1.758 2.061
151 HB2 CYS 23 HB2 CYS 23 -0.606 -3.971 3.722
152 HB3 CYS 23 HB3 CYS 23 -0.014 -2.458 4.446
153 HA PRO 24 HA PRO 24 3.834 -3.595 5.020
154 HB2 PRO 24 HB2 PRO 24 5.182 -5.848 4.318
155 HB3 PRO 24 HB3 PRO 24 3.801 -5.832 5.440
156 HG2 PRO 24 HG2 PRO 24 3.840 -6.484 2.461
157 HG3 PRO 24 HG3 PRO 24 2.964 -7.325 3.762
158 HD2 PRO 24 HD2 PRO 24 1.701 -5.516 2.149
159 HD3 PRO 24 HD3 PRO 24 1.272 -5.692 3.867
160 H LYS 25 H LYS 25 4.118 -4.148 1.503
161 HA LYS 25 HA LYS 25 6.827 -3.389 1.240
162 HB2 LYS 25 HB2 LYS 25 4.540 -3.363 -0.748
163 HB3 LYS 25 HB3 LYS 25 6.261 -3.140 -1.139
164 HG2 LYS 25 HG2 LYS 25 6.779 -5.366 -0.223
165 HG3 LYS 25 HG3 LYS 25 5.074 -5.590 0.233
166 HD2 LYS 25 HD2 LYS 25 4.415 -5.369 -2.150
167 HD3 LYS 25 HD3 LYS 25 6.125 -5.170 -2.599
168 HE2 LYS 25 HE2 LYS 25 6.639 -7.408 -1.727
169 HE3 LYS 25 HE3 LYS 25 4.951 -7.608 -1.198
170 HZ1 LYS 25 HZ1 LYS 25 5.850 -7.249 -3.965
171 HZ2 LYS 25 HZ2 LYS 25 5.356 -8.667 -3.283
172 HZ3 LYS 25 HZ3 LYS 25 4.285 -7.426 -3.476
173 H CYS 26 H CYS 26 3.720 -1.611 1.077
174 HA CYS 26 HA CYS 26 4.746 0.900 0.351
175 HB2 CYS 26 HB2 CYS 26 2.224 0.024 1.812
176 HB3 CYS 26 HB3 CYS 26 2.594 1.735 1.494
177 HG CYS 26 HG CYS 26 0.903 0.846 -0.279
178 H SER 27 H SER 27 5.109 -0.893 3.285
179 HA SER 27 HA SER 27 5.796 -0.516 5.321
180 HB2 SER 27 HB2 SER 27 6.687 2.203 4.318
181 HB3 SER 27 HB3 SER 27 7.153 1.429 5.851
182 HG SER 27 HG SER 27 8.687 1.091 4.182
183 H ALA 28 H ALA 28 3.114 -0.230 4.583
184 HA ALA 28 HA ALA 28 1.831 2.047 5.608
185 HB1 ALA 28 HB1 ALA 28 0.770 -0.776 5.333
186 HB2 ALA 28 HB2 ALA 28 -0.189 0.688 5.653
187 HB3 ALA 28 HB3 ALA 28 0.671 0.508 4.105
188 H LEU 29 H LEU 29 2.830 -1.082 7.083
189 HA LEU 29 HA LEU 29 1.483 -0.777 9.514
190 HB2 LEU 29 HB2 LEU 29 4.160 -2.150 8.971
191 HB3 LEU 29 HB3 LEU 29 3.069 -2.454 10.343
192 HG LEU 29 HG LEU 29 2.395 -2.948 7.416
193 HD11 LEU 29 1HD1 LEU 29 3.058 -4.854 9.706
194 HD12 LEU 29 2HD1 LEU 29 2.552 -5.336 8.070
195 HD13 LEU 29 3HD1 LEU 29 4.106 -4.502 8.312
196 HD21 LEU 29 3HD2 LEU 29 0.888 -3.638 9.968
197 HD22 LEU 29 1HD2 LEU 29 0.420 -2.392 8.786
198 HD23 LEU 29 2HD2 LEU 29 0.419 -4.109 8.317
199 H GLN 30 H GLN 30 4.774 0.141 8.422
200 HA GLN 30 HA GLN 30 5.778 1.216 10.809
201 HB2 GLN 30 HB2 GLN 30 6.546 1.821 7.932
202 HB3 GLN 30 HB3 GLN 30 7.507 2.179 9.380
203 HG2 GLN 30 HG2 GLN 30 7.684 -0.225 9.880
204 HG3 GLN 30 HG3 GLN 30 6.666 -0.607 8.476
205 HE21 GLN 30 1HE2 GLN 30 7.845 -1.378 6.815
206 HE22 GLN 30 2HE2 GLN 30 9.426 -0.804 6.335
207 H TYR 31 H TYR 31 4.065 2.746 8.049
208 HA TYR 31 HA TYR 31 3.042 4.711 7.791
209 HB2 TYR 31 HB2 TYR 31 3.522 5.362 10.683
210 HB3 TYR 31 HB3 TYR 31 2.624 6.337 9.510
211 HD1 TYR 31 HD2 TYR 31 0.643 5.270 8.300
212 HD2 TYR 31 HD1 TYR 31 2.426 3.593 11.835
213 HE1 TYR 31 HE2 TYR 31 -1.414 3.945 8.697
214 HE2 TYR 31 HE1 TYR 31 0.374 2.264 12.246
215 HH TYR 31 HH TYR 31 -1.737 1.738 11.511
216 H ARG 32 H ARG 32 6.201 4.223 7.938
217 HA ARG 32 HA ARG 32 6.918 7.036 7.512
218 HB2 ARG 32 HB2 ARG 32 8.317 5.897 9.218
219 HB3 ARG 32 HB3 ARG 32 8.618 4.549 8.097
220 HG2 ARG 32 HG2 ARG 32 9.716 6.108 6.515
221 HG3 ARG 32 HG3 ARG 32 9.400 7.460 7.625
222 HD2 ARG 32 HD2 ARG 32 10.768 6.331 9.363
223 HD3 ARG 32 HD3 ARG 32 11.102 5.006 8.226
224 HE ARG 32 HE ARG 32 11.801 7.486 7.012
225 HH11 ARG 32 1HH1 ARG 32 12.868 5.298 9.586
226 HH12 ARG 32 2HH1 ARG 32 14.544 5.790 9.482
227 HH21 ARG 32 1HH2 ARG 32 13.997 8.130 6.889
228 HH22 ARG 32 2HH2 ARG 32 15.186 7.404 7.947
229 H ASN 33 H ASN 33 7.130 7.315 5.087
230 HA ASN 33 HA ASN 33 6.936 4.759 3.648
231 HB2 ASN 33 HB2 ASN 33 5.307 6.590 3.114
232 HB3 ASN 33 HB3 ASN 33 6.659 7.523 2.451
233 HD21 ASN 33 1HD2 ASN 33 4.420 6.767 0.908
234 HD22 ASN 33 2HD2 ASN 33 4.930 5.606 -0.297
235 H GLY 34 H GLY 34 8.588 3.822 2.873
236 HA2 GLY 34 HA2 GLY 34 11.210 4.763 2.965
237 HA3 GLY 34 HA3 GLY 34 10.611 3.304 2.162
238 H PHE 35 H PHE 35 8.834 4.535 0.306
239 HA PHE 35 HA PHE 35 10.578 5.187 -1.826
240 HB2 PHE 35 HB2 PHE 35 7.541 5.319 -1.580
241 HB3 PHE 35 HB3 PHE 35 8.451 5.496 -3.084
242 HD1 PHE 35 HD2 PHE 35 9.957 3.549 -3.823
243 HD2 PHE 35 HD1 PHE 35 6.906 3.167 -0.819
244 HE1 PHE 35 HE2 PHE 35 9.939 1.090 -4.152
245 HE2 PHE 35 HE1 PHE 35 6.888 0.712 -1.148
246 HZ PHE 35 HZ PHE 35 8.404 -0.329 -2.814
247 H TYR 36 H TYR 36 10.180 7.129 -3.252
248 HA TYR 36 HA TYR 36 10.295 9.324 -3.617
249 HB2 TYR 36 HB2 TYR 36 8.233 9.730 -1.478
250 HB3 TYR 36 HB3 TYR 36 8.823 10.923 -2.641
251 HD1 TYR 36 HD1 TYR 36 6.770 7.899 -2.173
252 HD2 TYR 36 HD2 TYR 36 8.191 10.816 -4.994
253 HE1 TYR 36 HE1 TYR 36 5.059 7.146 -3.802
254 HE2 TYR 36 HE2 TYR 36 6.486 10.072 -6.633
255 HH TYR 36 HH TYR 36 4.165 7.433 -5.897
256 H LEU 37 H LEU 37 12.451 8.847 -2.876
257 HA LEU 37 HA LEU 37 13.414 9.206 -0.307
258 HB2 LEU 37 HB2 LEU 37 14.763 9.777 -2.994
259 HB3 LEU 37 HB3 LEU 37 15.601 9.656 -1.435
260 HG LEU 37 HG LEU 37 13.986 7.420 -2.740
261 HD11 LEU 37 1HD1 LEU 37 16.990 7.828 -2.432
262 HD12 LEU 37 2HD1 LEU 37 16.200 6.388 -3.116
263 HD13 LEU 37 3HD1 LEU 37 16.073 7.953 -3.952
264 HD21 LEU 37 3HD2 LEU 37 15.754 7.482 -0.253
265 HD22 LEU 37 1HD2 LEU 37 13.991 7.231 -0.284
266 HD23 LEU 37 2HD2 LEU 37 15.071 6.012 -0.986
267 H LEU 38 H LEU 38 13.031 11.572 -3.085
268 HA LEU 38 HA LEU 38 14.061 13.669 -1.343
269 HB2 LEU 38 HB2 LEU 38 13.076 13.915 -4.189
270 HB3 LEU 38 HB3 LEU 38 13.863 15.168 -3.213
271 HG LEU 38 HG LEU 38 15.107 12.530 -4.106
272 HD11 LEU 38 1HD1 LEU 38 15.630 15.426 -4.905
273 HD12 LEU 38 2HD1 LEU 38 16.529 14.006 -5.492
274 HD13 LEU 38 3HD1 LEU 38 14.809 14.202 -5.903
275 HD21 LEU 38 3HD2 LEU 38 16.270 14.854 -2.509
276 HD22 LEU 38 1HD2 LEU 38 16.015 13.190 -1.926
277 HD23 LEU 38 2HD2 LEU 38 17.214 13.511 -3.193
278 H LYS 39 H LYS 39 12.509 13.776 0.298
279 HA LYS 39 HA LYS 39 9.813 14.522 -0.609
280 HB2 LYS 39 HB2 LYS 39 10.639 13.846 2.213
281 HB3 LYS 39 HB3 LYS 39 9.048 14.393 1.666
282 HG2 LYS 39 HG2 LYS 39 8.938 12.341 0.190
283 HG3 LYS 39 HG3 LYS 39 10.441 11.791 0.991
284 HD2 LYS 39 HD2 LYS 39 9.350 11.893 3.182
285 HD3 LYS 39 HD3 LYS 39 7.865 12.532 2.442
286 HE2 LYS 39 HE2 LYS 39 7.602 10.450 1.146
287 HE3 LYS 39 HE3 LYS 39 9.094 9.807 1.867
288 HZ1 LYS 39 HZ1 LYS 39 8.053 9.972 4.008
289 HZ2 LYS 39 HZ2 LYS 39 7.152 9.025 3.003
290 HZ3 LYS 39 HZ3 LYS 39 6.669 10.565 3.338
291 H TYR 40 H TYR 40 9.675 16.641 -0.833
292 HA TYR 40 HA TYR 40 11.564 18.506 0.140
293 HB2 TYR 40 HB2 TYR 40 8.868 18.969 -1.125
294 HB3 TYR 40 HB3 TYR 40 10.123 20.188 -0.825
295 HD1 TYR 40 HD1 TYR 40 9.168 17.252 -2.848
296 HD2 TYR 40 HD2 TYR 40 12.232 20.168 -2.077
297 HE1 TYR 40 HE1 TYR 40 10.348 16.548 -4.911
298 HE2 TYR 40 HE2 TYR 40 13.420 19.476 -4.140
299 HH TYR 40 HH TYR 40 12.183 16.853 -6.257
300 H ASP 41 H ASP 41 8.364 17.498 1.361
301 HA ASP 41 HA ASP 41 8.034 19.560 3.228
302 HB2 ASP 41 HB2 ASP 41 7.097 16.667 3.436
303 HB3 ASP 41 HB3 ASP 41 6.474 18.051 4.357
304 H GLU 42 H GLU 42 9.652 16.315 3.466
305 HA GLU 42 HA GLU 42 10.316 16.765 6.245
306 HB2 GLU 42 HB2 GLU 42 11.136 14.538 4.382
307 HB3 GLU 42 HB3 GLU 42 11.537 14.652 6.109
308 HG2 GLU 42 HG2 GLU 42 8.724 14.548 4.938
309 HG3 GLU 42 HG3 GLU 42 9.573 13.193 5.703
310 H GLU 43 H GLU 43 12.367 17.060 7.117
311 HA GLU 43 HA GLU 43 14.169 18.455 5.296
312 HB2 GLU 43 HB2 GLU 43 14.105 18.279 8.345
313 HB3 GLU 43 HB3 GLU 43 15.277 19.211 7.386
314 HG2 GLU 43 HG2 GLU 43 13.420 20.534 6.412
315 HG3 GLU 43 HG3 GLU 43 12.256 19.618 7.391
316 H TRP 44 H TRP 44 15.933 17.483 4.610
317 HA TRP 44 HA TRP 44 17.548 16.022 4.198
318 HB2 TRP 44 HB2 TRP 44 17.822 16.106 7.206
319 HB3 TRP 44 HB3 TRP 44 19.002 15.426 6.100
320 HD1 TRP 44 HD1 TRP 44 17.884 18.378 4.371
321 HE1 TRP 44 HE1 TRP 44 19.435 20.360 4.734
322 HE3 TRP 44 HE3 TRP 44 20.515 16.610 8.388
323 HZ2 TRP 44 HZ2 TRP 44 21.591 21.092 6.528
324 HZ3 TRP 44 HZ3 TRP 44 22.317 17.970 9.390
325 HH2 TRP 44 HH2 TRP 44 22.866 20.207 8.472
326 H TYR 45 H TYR 45 15.013 14.771 4.092
327 HA TYR 45 HA TYR 45 14.949 12.369 5.587
328 HB2 TYR 45 HB2 TYR 45 13.000 13.466 4.482
329 HB3 TYR 45 HB3 TYR 45 13.621 12.906 2.922
330 HD1 TYR 45 HD1 TYR 45 12.796 11.653 6.358
331 HD2 TYR 45 HD2 TYR 45 12.945 10.780 2.150
332 HE1 TYR 45 HE1 TYR 45 11.759 9.444 6.789
333 HE2 TYR 45 HE2 TYR 45 11.897 8.572 2.565
334 HH TYR 45 HH TYR 45 11.070 7.122 4.141
335 HA PRO 46 HA PRO 46 17.114 10.213 1.902
336 HB2 PRO 46 HB2 PRO 46 18.915 11.628 0.375
337 HB3 PRO 46 HB3 PRO 46 17.194 11.361 -0.080
338 HG2 PRO 46 HG2 PRO 46 18.410 13.761 1.311
339 HG3 PRO 46 HG3 PRO 46 17.279 13.750 -0.082
340 HD2 PRO 46 HD2 PRO 46 16.411 14.175 2.440
341 HD3 PRO 46 HD3 PRO 46 15.446 13.166 1.319
342 H GLU 47 H GLU 47 18.768 12.950 3.523
343 HA GLU 47 HA GLU 47 21.229 11.623 3.893
344 HB2 GLU 47 HB2 GLU 47 20.011 13.923 5.395
345 HB3 GLU 47 HB3 GLU 47 21.678 13.333 5.557
346 HG2 GLU 47 HG2 GLU 47 22.001 13.689 3.098
347 HG3 GLU 47 HG3 GLU 47 20.387 14.418 3.020
348 H GLU 48 H GLU 48 18.211 11.760 5.838
349 HA GLU 48 HA GLU 48 19.192 10.515 8.136
350 HB2 GLU 48 HB2 GLU 48 17.012 11.694 7.952
351 HB3 GLU 48 HB3 GLU 48 16.435 10.463 6.818
352 HG2 GLU 48 HG2 GLU 48 16.643 8.739 8.581
353 HG3 GLU 48 HG3 GLU 48 17.187 9.987 9.723
354 H LEU 49 H LEU 49 17.718 9.241 5.091
355 HA LEU 49 HA LEU 49 17.736 6.510 5.822
356 HB2 LEU 49 HB2 LEU 49 17.717 7.862 3.107
357 HB3 LEU 49 HB3 LEU 49 17.478 6.128 3.374
358 HG LEU 49 HG LEU 49 15.716 8.290 4.606
359 HD11 LEU 49 1HD1 LEU 49 15.301 6.550 2.136
360 HD12 LEU 49 2HD1 LEU 49 14.076 7.609 2.868
361 HD13 LEU 49 3HD1 LEU 49 15.542 8.314 2.150
362 HD21 LEU 49 3HD2 LEU 49 15.391 5.270 4.308
363 HD22 LEU 49 1HD2 LEU 49 15.714 6.136 5.829
364 HD23 LEU 49 2HD2 LEU 49 14.174 6.380 4.979
365 H LEU 50 H LEU 50 20.156 8.538 4.042
366 HA LEU 50 HA LEU 50 21.781 6.314 3.349
367 HB2 LEU 50 HB2 LEU 50 22.376 9.272 3.407
368 HB3 LEU 50 HB3 LEU 50 23.499 8.031 2.822
369 HG LEU 50 HG LEU 50 20.693 8.409 1.697
370 HD11 LEU 50 1HD1 LEU 50 23.376 9.436 0.679
371 HD12 LEU 50 2HD1 LEU 50 21.824 9.551 -0.185
372 HD13 LEU 50 3HD1 LEU 50 22.059 10.434 1.340
373 HD21 LEU 50 3HD2 LEU 50 23.154 6.915 0.700
374 HD22 LEU 50 1HD2 LEU 50 21.653 6.176 1.309
375 HD23 LEU 50 2HD2 LEU 50 21.633 7.108 -0.200
376 H THR 51 H THR 51 23.306 5.283 4.228
377 HA THR 51 HA THR 51 23.910 5.471 6.970
378 HB THR 51 HB THR 51 25.314 4.041 4.694
379 HG1 THR 51 HG1 THR 51 24.039 2.302 5.462
380 HG21 THR 51 1HG2 THR 51 25.384 3.632 7.715
381 HG22 THR 51 2HG2 THR 51 26.138 2.560 6.512
382 HG23 THR 51 3HG2 THR 51 26.726 4.225 6.707
383 H ASP 52 H ASP 52 25.630 6.495 3.933
384 HA ASP 52 HA ASP 52 27.616 7.870 5.620
385 HB2 ASP 52 HB2 ASP 52 27.836 6.954 2.714
386 HB3 ASP 52 HB3 ASP 52 29.039 7.933 3.580
387 H GLY 53 H GLY 53 27.564 10.069 5.517
388 HA2 GLY 53 HA2 GLY 53 25.814 11.346 3.555
389 HA3 GLY 53 HA3 GLY 53 26.359 12.004 5.104
390 H GLU 54 H GLU 54 28.908 10.421 3.362
391 HA GLU 54 HA GLU 54 30.524 12.670 3.201
392 HB2 GLU 54 HB2 GLU 54 30.576 10.083 1.571
393 HB3 GLU 54 HB3 GLU 54 31.932 11.217 1.743
394 HG2 GLU 54 HG2 GLU 54 32.008 10.785 4.164
395 HG3 GLU 54 HG3 GLU 54 30.617 9.693 4.033
396 H ASP 55 H ASP 55 28.590 11.015 0.569
397 HA ASP 55 HA ASP 55 29.528 12.751 -1.461
398 HB2 ASP 55 HB2 ASP 55 26.948 11.124 -1.348
399 HB3 ASP 55 HB3 ASP 55 27.696 11.819 -2.800
400 H ASP 56 H ASP 56 26.492 12.690 0.555
401 HA ASP 56 HA ASP 56 25.681 15.212 -0.663
402 HB2 ASP 56 HB2 ASP 56 24.189 13.433 1.278
403 HB3 ASP 56 HB3 ASP 56 23.572 14.898 0.488
404 H VAL 57 H VAL 57 27.805 16.086 0.408
405 HA VAL 57 HA VAL 57 26.811 17.477 2.767
406 HB VAL 57 HB VAL 57 28.121 15.536 3.667
407 HG11 VAL 57 1HG1 VAL 57 30.503 17.169 2.718
408 HG12 VAL 57 2HG1 VAL 57 30.521 15.603 3.560
409 HG13 VAL 57 3HG1 VAL 57 29.930 15.720 1.881
410 HG21 VAL 57 3HG2 VAL 57 29.150 18.315 4.328
411 HG22 VAL 57 1HG2 VAL 57 27.623 17.620 4.919
412 HG23 VAL 57 2HG2 VAL 57 29.176 16.883 5.376
413 H PHE 58 H PHE 58 27.940 19.424 3.097
414 HA PHE 58 HA PHE 58 28.685 20.841 0.781
415 HB2 PHE 58 HB2 PHE 58 29.076 21.503 3.756
416 HB3 PHE 58 HB3 PHE 58 29.143 22.660 2.417
417 HD1 PHE 58 HD2 PHE 58 27.079 23.301 1.201
418 HD2 PHE 58 HD1 PHE 58 26.969 20.700 4.622
419 HE1 PHE 58 HE2 PHE 58 24.635 23.670 1.405
420 HE2 PHE 58 HE1 PHE 58 24.525 21.069 4.825
421 HZ PHE 58 HZ PHE 58 23.357 22.554 3.216
422 H ASP 59 H ASP 59 30.964 21.655 0.382
423 HA ASP 59 HA ASP 59 33.009 19.817 1.040
424 HB2 ASP 59 HB2 ASP 59 33.389 22.596 -0.054
425 HB3 ASP 59 HB3 ASP 59 34.569 21.272 -0.017
426 HA PRO 60 HA PRO 60 34.697 22.997 4.175
427 HB2 PRO 60 HB2 PRO 60 32.148 24.120 5.286
428 HB3 PRO 60 HB3 PRO 60 33.742 24.925 5.087
429 HG2 PRO 60 HG2 PRO 60 31.712 25.462 3.364
430 HG3 PRO 60 HG3 PRO 60 33.381 25.216 2.746
431 HD2 PRO 60 HD2 PRO 60 31.102 23.225 2.818
432 HD3 PRO 60 HD3 PRO 60 32.224 23.598 1.471
433 H ASP 61 H ASP 61 31.636 21.170 4.845
434 HA ASP 61 HA ASP 61 32.874 20.500 7.435
435 HB2 ASP 61 HB2 ASP 61 29.982 20.159 6.546
436 HB3 ASP 61 HB3 ASP 61 30.661 19.669 8.112
437 H LEU 62 H LEU 62 33.694 18.511 7.713
438 HA LEU 62 HA LEU 62 32.875 16.465 5.756
439 HB2 LEU 62 HB2 LEU 62 35.491 16.625 7.274
440 HB3 LEU 62 HB3 LEU 62 35.000 15.357 6.133
441 HG LEU 62 HG LEU 62 35.348 18.316 5.459
442 HD11 LEU 62 1HD1 LEU 62 37.048 15.877 4.794
443 HD12 LEU 62 2HD1 LEU 62 37.324 17.530 4.194
444 HD13 LEU 62 3HD1 LEU 62 37.479 17.177 5.929
445 HD21 LEU 62 3HD2 LEU 62 34.755 15.900 3.697
446 HD22 LEU 62 1HD2 LEU 62 33.657 17.266 4.014
447 HD23 LEU 62 2HD2 LEU 62 35.155 17.528 3.103
448 H ASP 63 H ASP 63 31.556 15.068 6.585
449 HA ASP 63 HA ASP 63 30.802 14.875 9.261
450 HB2 ASP 63 HB2 ASP 63 30.365 13.059 6.874
451 HB3 ASP 63 HB3 ASP 63 29.687 12.746 8.465
452 H MET 64 H MET 64 33.050 12.845 7.291
453 HA MET 64 HA MET 64 33.358 10.822 9.209
454 HB2 MET 64 HB2 MET 64 35.327 11.761 7.109
455 HB3 MET 64 HB3 MET 64 35.421 10.250 8.033
456 HG2 MET 64 HG2 MET 64 33.180 11.035 6.129
457 HG3 MET 64 HG3 MET 64 34.494 9.909 5.786
458 HE1 MET 64 HE1 MET 64 30.940 10.178 6.516
459 HE2 MET 64 HE2 MET 64 30.547 9.061 7.843
460 HE3 MET 64 HE3 MET 64 31.409 10.579 8.185
461 H GLU 65 H GLU 65 35.239 13.871 8.681
462 HA GLU 65 HA GLU 65 37.153 13.268 10.672
463 HB2 GLU 65 HB2 GLU 65 36.394 15.965 9.560
464 HB3 GLU 65 HB3 GLU 65 37.816 15.574 10.553
465 HG2 GLU 65 HG2 GLU 65 38.534 13.928 8.813
466 HG3 GLU 65 HG3 GLU 65 37.171 14.440 7.799
467 H VAL 66 H VAL 66 34.027 15.115 10.948
468 HA VAL 66 HA VAL 66 34.769 15.418 13.789
469 HB VAL 66 HB VAL 66 32.585 16.799 12.216
470 HG11 VAL 66 1HG1 VAL 66 33.687 17.217 15.030
471 HG12 VAL 66 2HG1 VAL 66 32.471 18.241 14.231
472 HG13 VAL 66 3HG1 VAL 66 32.089 16.554 14.627
473 HG21 VAL 66 3HG2 VAL 66 35.316 17.762 13.174
474 HG22 VAL 66 1HG2 VAL 66 34.833 17.500 11.481
475 HG23 VAL 66 2HG2 VAL 66 34.061 18.784 12.435
476 H VAL 67 H VAL 67 33.910 14.080 15.208
477 HA VAL 67 HA VAL 67 32.064 12.039 14.583
478 HB VAL 67 HB VAL 67 33.017 13.118 17.248
479 HG11 VAL 67 1HG1 VAL 67 31.642 10.507 16.485
480 HG12 VAL 67 2HG1 VAL 67 32.331 10.880 18.082
481 HG13 VAL 67 3HG1 VAL 67 30.945 11.810 17.477
482 HG21 VAL 67 3HG2 VAL 67 33.970 10.797 15.514
483 HG22 VAL 67 1HG2 VAL 67 34.856 12.312 15.810
484 HG23 VAL 67 2HG2 VAL 67 34.564 11.180 17.147
485 H PHE 68 H PHE 68 31.745 15.229 16.242
486 HA PHE 68 HA PHE 68 28.978 14.824 16.876
487 HB2 PHE 68 HB2 PHE 68 30.625 17.350 16.938
488 HB3 PHE 68 HB3 PHE 68 28.975 17.159 17.547
489 HD1 PHE 68 HD1 PHE 68 32.507 16.091 18.021
490 HD2 PHE 68 HD2 PHE 68 28.530 16.109 19.655
491 HE1 PHE 68 HE1 PHE 68 33.392 15.269 20.188
492 HE2 PHE 68 HE2 PHE 68 29.417 15.291 21.822
493 HZ PHE 68 HZ PHE 68 31.848 14.870 22.089
494 H GLU 69 H GLU 69 27.188 15.670 16.083
495 HA GLU 69 HA GLU 69 25.688 16.071 14.486
496 HB2 GLU 69 HB2 GLU 69 27.484 18.373 13.768
497 HB3 GLU 69 HB3 GLU 69 25.771 18.160 13.338
498 HG2 GLU 69 HG2 GLU 69 25.178 18.101 15.742
499 HG3 GLU 69 HG3 GLU 69 26.886 18.335 16.169
500 H THR 70 H THR 70 27.309 13.922 13.764
501 HA THR 70 HA THR 70 28.029 14.272 11.003
502 HB THR 70 HB THR 70 27.820 11.848 12.782
503 HG1 THR 70 HG1 THR 70 29.977 13.234 11.570
504 HG21 THR 70 1HG2 THR 70 28.517 12.101 9.845
505 HG22 THR 70 2HG2 THR 70 28.984 10.701 10.843
506 HG23 THR 70 3HG2 THR 70 27.268 11.082 10.577
507 H GLN 71 H GLN 71 26.641 13.937 9.297
508 HA GLN 71 HA GLN 71 23.840 13.676 9.799
509 HB2 GLN 71 HB2 GLN 71 25.442 13.606 7.215
510 HB3 GLN 71 HB3 GLN 71 23.672 13.645 7.298
511 HG2 GLN 71 HG2 GLN 71 23.633 15.862 8.091
512 HG3 GLN 71 HG3 GLN 71 25.298 15.774 8.694
513 HE21 GLN 71 1HE2 GLN 71 24.287 14.651 5.453
514 HE22 GLN 71 2HE2 GLN 71 25.188 15.861 4.566
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 -14.147 -8.937 2.200
2 H2 GLY 1 H2 GLY 1 -14.979 -10.207 1.448
3 H3 GLY 1 H3 GLY 1 -13.316 -10.328 1.699
4 HA2 GLY 1 HA3 GLY 1 -14.751 -8.530 -0.173
5 HA3 GLY 1 HA2 GLY 1 -13.021 -8.365 0.207
6 H SER 2 H SER 2 -11.977 -9.043 -1.617
7 HA SER 2 HA SER 2 -12.921 -11.321 -3.107
8 HB2 SER 2 HB2 SER 2 -11.857 -9.337 -4.222
9 HB3 SER 2 HB3 SER 2 -10.322 -9.788 -3.442
10 HG SER 2 HG SER 2 -10.545 -10.662 -5.546
11 H THR 3 H THR 3 -11.224 -13.093 -3.635
12 HA THR 3 HA THR 3 -10.289 -14.175 -1.112
13 HB THR 3 HB THR 3 -10.158 -15.347 -3.887
14 HG1 THR 3 HG1 THR 3 -12.286 -14.965 -3.106
15 HG21 THR 3 1HG2 THR 3 -9.861 -16.561 -1.107
16 HG22 THR 3 2HG2 THR 3 -9.845 -17.458 -2.644
17 HG23 THR 3 3HG2 THR 3 -8.543 -16.303 -2.274
18 H ALA 4 H ALA 4 -8.860 -12.309 -0.871
19 HA ALA 4 HA ALA 4 -6.234 -12.776 -2.041
20 HB1 ALA 4 HB1 ALA 4 -7.544 -10.033 -1.761
21 HB2 ALA 4 HB2 ALA 4 -5.853 -10.346 -2.215
22 HB3 ALA 4 HB3 ALA 4 -7.172 -10.846 -3.300
23 H MET 5 H MET 5 -4.584 -11.864 -0.535
24 HA MET 5 HA MET 5 -5.196 -12.366 2.168
25 HB2 MET 5 HB2 MET 5 -2.974 -11.651 2.696
26 HB3 MET 5 HB3 MET 5 -2.920 -12.654 1.227
27 HG2 MET 5 HG2 MET 5 -2.928 -10.576 -0.157
28 HG3 MET 5 HG3 MET 5 -2.893 -9.607 1.335
29 HE1 MET 5 HE1 MET 5 -1.014 -11.717 -1.248
30 HE2 MET 5 HE2 MET 5 0.513 -12.132 -0.434
31 HE3 MET 5 HE3 MET 5 -1.016 -12.860 0.116
32 H ALA 6 H ALA 6 -5.547 -11.149 3.881
33 HA ALA 6 HA ALA 6 -6.430 -9.525 5.110
34 HB1 ALA 6 HB1 ALA 6 -4.651 -7.747 3.424
35 HB2 ALA 6 HB2 ALA 6 -5.439 -7.300 4.956
36 HB3 ALA 6 HB3 ALA 6 -4.201 -8.578 4.933
37 H THR 7 H THR 7 -8.010 -10.367 2.844
38 HA THR 7 HA THR 7 -9.803 -9.854 1.632
39 HB THR 7 HB THR 7 -11.557 -8.669 2.674
40 HG1 THR 7 HG1 THR 7 -10.286 -7.050 3.674
41 HG21 THR 7 1HG2 THR 7 -9.972 -10.465 4.558
42 HG22 THR 7 2HG2 THR 7 -11.713 -10.112 4.673
43 HG23 THR 7 3HG2 THR 7 -11.078 -11.017 3.277
44 H THR 8 H THR 8 -7.742 -8.717 0.375
45 HA THR 8 HA THR 8 -8.188 -5.930 -0.064
46 HB THR 8 HB THR 8 -6.766 -7.910 -1.842
47 HG1 THR 8 HG1 THR 8 -5.965 -7.843 0.305
48 HG21 THR 8 1HG2 THR 8 -6.525 -4.900 -1.548
49 HG22 THR 8 2HG2 THR 8 -5.528 -5.938 -2.596
50 HG23 THR 8 3HG2 THR 8 -7.269 -5.760 -2.917
51 H MET 9 H MET 9 -9.569 -4.942 -1.420
52 HA MET 9 HA MET 9 -11.525 -6.526 -2.881
53 HB2 MET 9 HB2 MET 9 -11.323 -3.640 -1.997
54 HB3 MET 9 HB3 MET 9 -12.434 -4.113 -3.304
55 HG2 MET 9 HG2 MET 9 -13.648 -4.117 -1.219
56 HG3 MET 9 HG3 MET 9 -13.443 -5.802 -1.751
57 HE1 MET 9 HE1 MET 9 -12.485 -3.017 0.788
58 HE2 MET 9 HE2 MET 9 -11.211 -3.802 1.751
59 HE3 MET 9 HE3 MET 9 -10.905 -3.373 0.050
60 H GLU 10 H GLU 10 -8.493 -5.324 -3.559
61 HA GLU 10 HA GLU 10 -7.279 -4.802 -5.316
62 HB2 GLU 10 HB2 GLU 10 -9.397 -6.191 -6.947
63 HB3 GLU 10 HB3 GLU 10 -7.725 -5.815 -7.429
64 HG2 GLU 10 HG2 GLU 10 -6.881 -7.210 -5.551
65 HG3 GLU 10 HG3 GLU 10 -8.557 -7.604 -5.100
66 H GLN 11 H GLN 11 -8.938 -2.753 -4.278
67 HA GLN 11 HA GLN 11 -9.197 -1.129 -6.720
68 HB2 GLN 11 HB2 GLN 11 -10.922 0.206 -5.590
69 HB3 GLN 11 HB3 GLN 11 -11.435 -1.455 -5.972
70 HG2 GLN 11 HG2 GLN 11 -11.055 -2.118 -3.644
71 HG3 GLN 11 HG3 GLN 11 -10.508 -0.469 -3.255
72 HE21 GLN 11 1HE2 GLN 11 -13.067 -2.480 -2.907
73 HE22 GLN 11 2HE2 GLN 11 -14.385 -1.330 -2.939
74 H GLU 12 H GLU 12 -6.839 -1.682 -4.961
75 HA GLU 12 HA GLU 12 -5.185 -0.655 -3.870
76 HB2 GLU 12 HB2 GLU 12 -6.001 1.626 -5.650
77 HB3 GLU 12 HB3 GLU 12 -4.474 1.489 -4.746
78 HG2 GLU 12 HG2 GLU 12 -3.983 -0.634 -5.949
79 HG3 GLU 12 HG3 GLU 12 -5.479 -0.424 -6.890
80 H ILE 13 H ILE 13 -6.956 -0.959 -1.998
81 HA ILE 13 HA ILE 13 -7.131 1.694 -0.722
82 HB ILE 13 HB ILE 13 -8.742 0.750 0.818
83 HG12 ILE 13 2HG1 ILE 13 -8.227 -1.605 0.808
84 HG13 ILE 13 3HG1 ILE 13 -9.927 -1.311 0.370
85 HG21 ILE 13 1HG2 ILE 13 -9.388 0.508 -2.143
86 HG22 ILE 13 2HG2 ILE 13 -10.578 0.726 -0.837
87 HG23 ILE 13 3HG2 ILE 13 -9.392 2.007 -1.183
88 HD11 ILE 13 3HD1 ILE 13 -9.396 -1.737 -1.978
89 HD12 ILE 13 1HD1 ILE 13 -7.696 -2.030 -1.539
90 HD13 ILE 13 2HD1 ILE 13 -8.971 -3.114 -0.934
91 H CYS 14 H CYS 14 -5.783 2.225 0.668
92 HA CYS 14 HA CYS 14 -4.951 0.641 2.872
93 HB2 CYS 14 HB2 CYS 14 -2.793 1.381 0.882
94 HB3 CYS 14 HB3 CYS 14 -2.526 0.931 2.583
95 H ALA 15 H ALA 15 -3.144 2.116 4.069
96 HA ALA 15 HA ALA 15 -4.225 4.661 4.541
97 HB1 ALA 15 HB1 ALA 15 -1.397 3.637 5.067
98 HB2 ALA 15 HB2 ALA 15 -2.133 5.092 5.780
99 HB3 ALA 15 HB3 ALA 15 -2.773 3.481 6.183
100 H HIS 16 H HIS 16 -1.501 3.334 2.578
101 HA HIS 16 HA HIS 16 -0.975 5.911 1.310
102 HB2 HIS 16 HB2 HIS 16 0.586 3.336 1.216
103 HB3 HIS 16 HB3 HIS 16 0.963 4.820 0.308
104 HD1 HIS 16 HD1 HIS 16 1.704 6.878 1.753
105 HD2 HIS 16 HD2 HIS 16 1.203 3.312 3.913
106 HE1 HIS 16 HE1 HIS 16 2.793 7.232 4.064
107 H SER 17 H SER 17 -0.291 5.203 -1.239
108 HA SER 17 HA SER 17 -2.776 5.067 -2.501
109 HB2 SER 17 HB2 SER 17 -1.473 5.053 -4.560
110 HB3 SER 17 HB3 SER 17 -0.831 6.253 -3.412
111 HG SER 17 HG SER 17 0.809 4.969 -4.366
112 H MET 18 H MET 18 -0.440 2.321 -2.256
113 HA MET 18 HA MET 18 -2.181 0.831 -4.044
114 HB2 MET 18 HB2 MET 18 0.400 0.003 -2.755
115 HB3 MET 18 HB3 MET 18 -0.528 -0.892 -3.981
116 HG2 MET 18 HG2 MET 18 0.598 1.902 -4.377
117 HG3 MET 18 HG3 MET 18 1.386 0.403 -4.924
118 HE1 MET 18 HE1 MET 18 -1.120 -1.343 -5.803
119 HE2 MET 18 HE2 MET 18 -1.161 -0.981 -7.544
120 HE3 MET 18 HE3 MET 18 0.398 -1.233 -6.724
121 H THR 19 H THR 19 -2.087 -1.666 -3.536
122 HA THR 19 HA THR 19 -4.319 -2.032 -1.809
123 HB THR 19 HB THR 19 -4.134 -4.376 -2.472
124 HG1 THR 19 HG1 THR 19 -2.506 -4.909 -3.975
125 HG21 THR 19 1HG2 THR 19 -3.851 -2.443 -4.800
126 HG22 THR 19 2HG2 THR 19 -4.547 -4.079 -4.877
127 HG23 THR 19 3HG2 THR 19 -5.356 -2.812 -3.924
128 H PHE 20 H PHE 20 -4.365 -3.963 -0.294
129 HA PHE 20 HA PHE 20 -2.631 -3.601 1.853
130 HB2 PHE 20 HB2 PHE 20 -4.452 -5.931 1.167
131 HB3 PHE 20 HB3 PHE 20 -3.542 -5.780 2.689
132 HD1 PHE 20 HD1 PHE 20 -3.815 -3.432 3.896
133 HD2 PHE 20 HD2 PHE 20 -6.628 -5.097 1.107
134 HE1 PHE 20 HE1 PHE 20 -5.587 -1.958 4.808
135 HE2 PHE 20 HE2 PHE 20 -8.407 -3.635 2.029
136 HZ PHE 20 HZ PHE 20 -7.885 -2.061 3.876
137 H GLU 21 H GLU 21 -2.646 -5.941 -0.865
138 HA GLU 21 HA GLU 21 -0.641 -7.681 -0.025
139 HB2 GLU 21 HB2 GLU 21 -1.347 -6.759 -2.858
140 HB3 GLU 21 HB3 GLU 21 -0.456 -8.237 -2.427
141 HG2 GLU 21 HG2 GLU 21 -2.443 -9.092 -1.250
142 HG3 GLU 21 HG3 GLU 21 -3.334 -7.613 -1.680
143 H GLU 22 H GLU 22 -0.607 -4.530 -1.778
144 HA GLU 22 HA GLU 22 2.274 -4.588 -2.137
145 HB2 GLU 22 HB2 GLU 22 0.154 -2.564 -2.983
146 HB3 GLU 22 HB3 GLU 22 1.862 -2.579 -3.482
147 HG2 GLU 22 HG2 GLU 22 -0.140 -4.777 -4.095
148 HG3 GLU 22 HG3 GLU 22 0.327 -3.473 -5.213
149 H CYS 23 H CYS 23 0.494 -3.954 0.610
150 HA CYS 23 HA CYS 23 1.132 -1.337 1.317
151 HB2 CYS 23 HB2 CYS 23 0.672 -3.758 3.040
152 HB3 CYS 23 HB3 CYS 23 1.208 -2.203 3.719
153 HA PRO 24 HA PRO 24 5.201 -2.792 3.347
154 HB2 PRO 24 HB2 PRO 24 6.639 -4.798 2.209
155 HB3 PRO 24 HB3 PRO 24 5.562 -5.024 3.608
156 HG2 PRO 24 HG2 PRO 24 5.004 -5.552 0.657
157 HG3 PRO 24 HG3 PRO 24 4.568 -6.559 2.058
158 HD2 PRO 24 HD2 PRO 24 2.742 -4.893 0.894
159 HD3 PRO 24 HD3 PRO 24 2.745 -5.194 2.648
160 H LYS 25 H LYS 25 4.744 -3.167 -0.176
161 HA LYS 25 HA LYS 25 7.195 -2.014 -0.979
162 HB2 LYS 25 HB2 LYS 25 4.531 -2.246 -2.404
163 HB3 LYS 25 HB3 LYS 25 6.072 -1.761 -3.150
164 HG2 LYS 25 HG2 LYS 25 7.076 -3.922 -2.527
165 HG3 LYS 25 HG3 LYS 25 5.566 -4.407 -1.722
166 HD2 LYS 25 HD2 LYS 25 4.356 -4.195 -3.879
167 HD3 LYS 25 HD3 LYS 25 5.876 -3.734 -4.681
168 HE2 LYS 25 HE2 LYS 25 6.868 -5.906 -4.101
169 HE3 LYS 25 HE3 LYS 25 5.387 -6.366 -3.226
170 HZ1 LYS 25 HZ1 LYS 25 5.574 -5.779 -6.092
171 HZ2 LYS 25 HZ2 LYS 25 5.441 -7.277 -5.417
172 HZ3 LYS 25 HZ3 LYS 25 4.199 -6.198 -5.282
173 H CYS 26 H CYS 26 3.926 -0.700 -0.327
174 HA CYS 26 HA CYS 26 4.418 1.958 -1.087
175 HB2 CYS 26 HB2 CYS 26 2.435 0.673 0.832
176 HB3 CYS 26 HB3 CYS 26 2.493 2.430 0.559
177 HG CYS 26 HG CYS 26 0.574 1.373 -0.853
178 H SER 27 H SER 27 5.676 0.129 1.563
179 HA SER 27 HA SER 27 6.754 0.525 3.418
180 HB2 SER 27 HB2 SER 27 7.024 3.379 2.432
181 HB3 SER 27 HB3 SER 27 7.927 2.624 3.768
182 HG SER 27 HG SER 27 9.069 2.574 1.781
183 H ALA 28 H ALA 28 3.962 0.447 3.313
184 HA ALA 28 HA ALA 28 2.657 2.475 4.752
185 HB1 ALA 28 HB1 ALA 28 1.945 -0.459 4.524
186 HB2 ALA 28 HB2 ALA 28 0.899 0.838 5.149
187 HB3 ALA 28 HB3 ALA 28 1.399 0.842 3.440
188 H LEU 29 H LEU 29 4.372 -0.529 5.749
189 HA LEU 29 HA LEU 29 3.589 -0.513 8.434
190 HB2 LEU 29 HB2 LEU 29 6.228 -1.463 7.217
191 HB3 LEU 29 HB3 LEU 29 5.531 -1.974 8.773
192 HG LEU 29 HG LEU 29 4.276 -2.450 6.041
193 HD11 LEU 29 1HD1 LEU 29 5.692 -4.324 7.990
194 HD12 LEU 29 2HD1 LEU 29 4.894 -4.813 6.477
195 HD13 LEU 29 3HD1 LEU 29 6.337 -3.773 6.426
196 HD21 LEU 29 3HD2 LEU 29 3.497 -3.445 8.809
197 HD22 LEU 29 1HD2 LEU 29 2.611 -2.237 7.849
198 HD23 LEU 29 2HD2 LEU 29 2.730 -3.917 7.274
199 H GLN 30 H GLN 30 6.396 0.964 6.708
200 HA GLN 30 HA GLN 30 7.653 2.098 8.970
201 HB2 GLN 30 HB2 GLN 30 7.871 2.882 6.051
202 HB3 GLN 30 HB3 GLN 30 8.949 3.380 7.372
203 HG2 GLN 30 HG2 GLN 30 9.495 0.974 7.782
204 HG3 GLN 30 HG3 GLN 30 8.511 0.537 6.369
205 HE21 GLN 30 1HE2 GLN 30 11.465 0.238 6.919
206 HE22 GLN 30 2HE2 GLN 30 12.262 1.043 5.585
207 H TYR 31 H TYR 31 5.204 3.344 6.670
208 HA TYR 31 HA TYR 31 3.916 5.154 6.632
209 HB2 TYR 31 HB2 TYR 31 4.598 5.618 9.498
210 HB3 TYR 31 HB3 TYR 31 3.543 6.646 8.512
211 HD1 TYR 31 HD2 TYR 31 1.611 5.549 7.248
212 HD2 TYR 31 HD1 TYR 31 3.692 3.646 10.494
213 HE1 TYR 31 HE2 TYR 31 -0.292 3.988 7.539
214 HE2 TYR 31 HE1 TYR 31 1.792 2.082 10.801
215 HH TYR 31 HH TYR 31 -0.288 1.438 10.064
216 H ARG 32 H ARG 32 6.902 5.117 5.998
217 HA ARG 32 HA ARG 32 7.191 8.036 5.785
218 HB2 ARG 32 HB2 ARG 32 9.333 5.857 5.752
219 HB3 ARG 32 HB3 ARG 32 9.597 7.557 5.322
220 HG2 ARG 32 HG2 ARG 32 8.742 8.195 7.616
221 HG3 ARG 32 HG3 ARG 32 8.735 6.465 8.023
222 HD2 ARG 32 HD2 ARG 32 10.821 7.450 8.800
223 HD3 ARG 32 HD3 ARG 32 11.177 6.375 7.434
224 HE ARG 32 HE ARG 32 10.728 9.056 6.515
225 HH11 ARG 32 1HH1 ARG 32 13.136 7.057 8.185
226 HH12 ARG 32 2HH1 ARG 32 14.489 8.036 7.663
227 HH21 ARG 32 1HH2 ARG 32 12.511 10.326 5.845
228 HH22 ARG 32 2HH2 ARG 32 14.134 9.893 6.335
229 H ASN 33 H ASN 33 6.906 8.566 3.500
230 HA ASN 33 HA ASN 33 6.390 6.353 1.713
231 HB2 ASN 33 HB2 ASN 33 5.012 8.452 1.722
232 HB3 ASN 33 HB3 ASN 33 6.423 9.341 1.124
233 HD21 ASN 33 1HD2 ASN 33 3.626 7.712 0.226
234 HD22 ASN 33 2HD2 ASN 33 4.016 7.379 -1.447
235 H GLY 34 H GLY 34 7.931 5.359 0.624
236 HA2 GLY 34 HA2 GLY 34 10.616 6.023 0.646
237 HA3 GLY 34 HA3 GLY 34 9.821 4.818 -0.370
238 H PHE 35 H PHE 35 8.105 6.588 -1.914
239 HA PHE 35 HA PHE 35 10.157 7.597 -3.713
240 HB2 PHE 35 HB2 PHE 35 8.390 8.053 -5.305
241 HB3 PHE 35 HB3 PHE 35 8.708 6.364 -4.906
242 HD1 PHE 35 HD1 PHE 35 6.286 9.129 -4.548
243 HD2 PHE 35 HD2 PHE 35 7.090 4.977 -3.792
244 HE1 PHE 35 HE1 PHE 35 3.886 8.757 -4.035
245 HE2 PHE 35 HE2 PHE 35 4.692 4.603 -3.284
246 HZ PHE 35 HZ PHE 35 3.088 6.492 -3.406
247 H TYR 36 H TYR 36 9.916 9.656 -4.838
248 HA TYR 36 HA TYR 36 10.171 11.865 -4.795
249 HB2 TYR 36 HB2 TYR 36 8.185 12.068 -2.542
250 HB3 TYR 36 HB3 TYR 36 8.904 13.397 -3.458
251 HD1 TYR 36 HD2 TYR 36 8.627 13.190 -6.104
252 HD2 TYR 36 HD1 TYR 36 6.098 11.289 -3.193
253 HE1 TYR 36 HE2 TYR 36 6.821 13.021 -7.794
254 HE2 TYR 36 HE1 TYR 36 4.283 11.117 -4.871
255 HH TYR 36 HH TYR 36 3.637 11.549 -7.030
256 H LEU 37 H LEU 37 12.316 10.969 -4.055
257 HA LEU 37 HA LEU 37 13.122 10.822 -1.389
258 HB2 LEU 37 HB2 LEU 37 14.746 11.544 -3.864
259 HB3 LEU 37 HB3 LEU 37 15.419 11.102 -2.282
260 HG LEU 37 HG LEU 37 13.645 9.311 -4.002
261 HD11 LEU 37 1HD1 LEU 37 16.637 9.233 -3.424
262 HD12 LEU 37 2HD1 LEU 37 15.724 8.028 -4.363
263 HD13 LEU 37 3HD1 LEU 37 15.886 9.690 -4.972
264 HD21 LEU 37 3HD2 LEU 37 15.166 8.788 -1.408
265 HD22 LEU 37 1HD2 LEU 37 13.397 8.806 -1.607
266 HD23 LEU 37 2HD2 LEU 37 14.362 7.544 -2.392
267 H LEU 38 H LEU 38 13.248 13.582 -3.773
268 HA LEU 38 HA LEU 38 14.379 15.246 -1.667
269 HB2 LEU 38 HB2 LEU 38 13.626 16.020 -4.499
270 HB3 LEU 38 HB3 LEU 38 14.492 17.015 -3.313
271 HG LEU 38 HG LEU 38 15.462 14.382 -4.512
272 HD11 LEU 38 1HD1 LEU 38 16.389 17.263 -4.882
273 HD12 LEU 38 2HD1 LEU 38 17.139 15.824 -5.614
274 HD13 LEU 38 3HD1 LEU 38 15.487 16.297 -6.075
275 HD21 LEU 38 3HD2 LEU 38 16.800 16.306 -2.559
276 HD22 LEU 38 1HD2 LEU 38 16.301 14.630 -2.220
277 HD23 LEU 38 2HD2 LEU 38 17.609 14.948 -3.375
278 H LYS 39 H LYS 39 12.746 15.416 -0.140
279 HA LYS 39 HA LYS 39 10.162 16.443 -1.102
280 HB2 LYS 39 HB2 LYS 39 10.886 15.422 1.665
281 HB3 LYS 39 HB3 LYS 39 9.306 16.060 1.158
282 HG2 LYS 39 HG2 LYS 39 9.174 14.221 -0.543
283 HG3 LYS 39 HG3 LYS 39 10.712 13.583 0.101
284 HD2 LYS 39 HD2 LYS 39 9.700 13.271 2.309
285 HD3 LYS 39 HD3 LYS 39 8.174 13.984 1.738
286 HE2 LYS 39 HE2 LYS 39 7.934 12.166 0.083
287 HE3 LYS 39 HE3 LYS 39 9.466 11.457 0.634
288 HZ1 LYS 39 HZ1 LYS 39 8.488 11.169 2.789
289 HZ2 LYS 39 HZ2 LYS 39 7.591 10.396 1.642
290 HZ3 LYS 39 HZ3 LYS 39 7.063 11.823 2.278
291 H TYR 40 H TYR 40 10.205 18.642 -1.115
292 HA TYR 40 HA TYR 40 12.208 20.202 0.139
293 HB2 TYR 40 HB2 TYR 40 9.588 21.057 -1.102
294 HB3 TYR 40 HB3 TYR 40 10.931 22.114 -0.639
295 HD1 TYR 40 HD1 TYR 40 9.859 19.431 -2.970
296 HD2 TYR 40 HD2 TYR 40 12.925 22.277 -1.981
297 HE1 TYR 40 HE1 TYR 40 10.958 18.992 -5.149
298 HE2 TYR 40 HE2 TYR 40 14.033 21.850 -4.157
299 HH TYR 40 HH TYR 40 12.723 19.493 -6.528
300 H ASP 41 H ASP 41 8.826 19.420 1.010
301 HA ASP 41 HA ASP 41 8.598 21.244 3.134
302 HB2 ASP 41 HB2 ASP 41 7.220 18.556 2.810
303 HB3 ASP 41 HB3 ASP 41 6.716 19.891 3.866
304 H GLU 42 H GLU 42 9.758 17.815 3.009
305 HA GLU 42 HA GLU 42 10.113 17.718 5.866
306 HB2 GLU 42 HB2 GLU 42 11.074 15.839 3.693
307 HB3 GLU 42 HB3 GLU 42 11.196 15.550 5.436
308 HG2 GLU 42 HG2 GLU 42 8.597 15.931 3.890
309 HG3 GLU 42 HG3 GLU 42 9.266 14.374 4.406
310 H GLU 43 H GLU 43 12.114 17.680 6.973
311 HA GLU 43 HA GLU 43 14.261 19.037 5.506
312 HB2 GLU 43 HB2 GLU 43 13.501 20.174 7.556
313 HB3 GLU 43 HB3 GLU 43 13.824 18.702 8.500
314 HG2 GLU 43 HG2 GLU 43 16.212 18.817 7.890
315 HG3 GLU 43 HG3 GLU 43 15.899 20.240 6.880
316 H TRP 44 H TRP 44 16.024 17.945 4.993
317 HA TRP 44 HA TRP 44 17.467 16.309 4.608
318 HB2 TRP 44 HB2 TRP 44 17.334 16.061 7.591
319 HB3 TRP 44 HB3 TRP 44 18.438 15.140 6.603
320 HD1 TRP 44 HD1 TRP 44 18.100 18.561 5.229
321 HE1 TRP 44 HE1 TRP 44 20.113 19.993 5.838
322 HE3 TRP 44 HE3 TRP 44 20.195 15.524 8.772
323 HZ2 TRP 44 HZ2 TRP 44 22.384 19.839 7.637
324 HZ3 TRP 44 HZ3 TRP 44 22.279 16.196 9.913
325 HH2 TRP 44 HH2 TRP 44 23.385 18.342 9.354
326 H TYR 45 H TYR 45 14.852 15.493 3.936
327 HA TYR 45 HA TYR 45 14.249 12.966 5.047
328 HB2 TYR 45 HB2 TYR 45 12.696 14.470 3.732
329 HB3 TYR 45 HB3 TYR 45 13.508 13.909 2.263
330 HD1 TYR 45 HD1 TYR 45 11.666 12.789 5.300
331 HD2 TYR 45 HD2 TYR 45 12.929 11.792 1.312
332 HE1 TYR 45 HE1 TYR 45 10.279 10.736 5.385
333 HE2 TYR 45 HE2 TYR 45 11.523 9.749 1.373
334 HH TYR 45 HH TYR 45 10.114 8.446 2.636
335 HA PRO 46 HA PRO 46 16.725 11.009 1.442
336 HB2 PRO 46 HB2 PRO 46 18.836 12.392 0.323
337 HB3 PRO 46 HB3 PRO 46 17.180 12.297 -0.374
338 HG2 PRO 46 HG2 PRO 46 18.381 14.484 1.323
339 HG3 PRO 46 HG3 PRO 46 17.371 14.650 -0.147
340 HD2 PRO 46 HD2 PRO 46 16.349 14.939 2.360
341 HD3 PRO 46 HD3 PRO 46 15.394 14.172 1.054
342 H GLU 47 H GLU 47 18.443 13.338 3.569
343 HA GLU 47 HA GLU 47 20.684 11.699 4.025
344 HB2 GLU 47 HB2 GLU 47 19.522 13.964 5.613
345 HB3 GLU 47 HB3 GLU 47 20.956 13.057 6.089
346 HG2 GLU 47 HG2 GLU 47 21.811 14.934 4.992
347 HG3 GLU 47 HG3 GLU 47 21.950 13.623 3.813
348 H GLU 48 H GLU 48 17.498 11.931 5.724
349 HA GLU 48 HA GLU 48 18.226 10.191 7.812
350 HB2 GLU 48 HB2 GLU 48 15.538 10.838 6.616
351 HB3 GLU 48 HB3 GLU 48 15.768 9.764 8.012
352 HG2 GLU 48 HG2 GLU 48 16.815 11.550 9.286
353 HG3 GLU 48 HG3 GLU 48 16.763 12.637 7.892
354 H LEU 49 H LEU 49 16.784 9.580 4.538
355 HA LEU 49 HA LEU 49 16.420 6.805 4.948
356 HB2 LEU 49 HB2 LEU 49 16.830 8.313 2.364
357 HB3 LEU 49 HB3 LEU 49 16.333 6.619 2.509
358 HG LEU 49 HG LEU 49 14.776 8.998 3.615
359 HD11 LEU 49 1HD1 LEU 49 14.362 7.238 1.160
360 HD12 LEU 49 2HD1 LEU 49 13.208 8.449 1.755
361 HD13 LEU 49 3HD1 LEU 49 14.804 8.962 1.161
362 HD21 LEU 49 3HD2 LEU 49 14.089 6.033 3.397
363 HD22 LEU 49 1HD2 LEU 49 14.359 6.943 4.904
364 HD23 LEU 49 2HD2 LEU 49 12.959 7.319 3.883
365 H LEU 50 H LEU 50 19.220 8.688 3.622
366 HA LEU 50 HA LEU 50 20.626 6.369 2.786
367 HB2 LEU 50 HB2 LEU 50 21.603 9.173 3.345
368 HB3 LEU 50 HB3 LEU 50 22.605 7.867 2.684
369 HG LEU 50 HG LEU 50 20.026 8.829 1.377
370 HD11 LEU 50 1HD1 LEU 50 22.929 9.539 0.777
371 HD12 LEU 50 2HD1 LEU 50 21.519 10.013 -0.201
372 HD13 LEU 50 3HD1 LEU 50 21.703 10.636 1.454
373 HD21 LEU 50 3HD2 LEU 50 22.340 7.105 0.395
374 HD22 LEU 50 1HD2 LEU 50 20.688 6.542 0.745
375 HD23 LEU 50 2HD2 LEU 50 20.976 7.662 -0.601
376 H THR 51 H THR 51 21.890 5.021 3.682
377 HA THR 51 HA THR 51 22.231 4.843 6.476
378 HB THR 51 HB THR 51 23.625 3.428 4.184
379 HG1 THR 51 HG1 THR 51 21.345 3.205 4.235
380 HG21 THR 51 1HG2 THR 51 23.321 2.727 7.138
381 HG22 THR 51 2HG2 THR 51 24.027 1.670 5.893
382 HG23 THR 51 3HG2 THR 51 24.833 3.193 6.324
383 H ASP 52 H ASP 52 24.391 5.869 3.744
384 HA ASP 52 HA ASP 52 26.343 6.788 5.752
385 HB2 ASP 52 HB2 ASP 52 26.759 6.026 2.825
386 HB3 ASP 52 HB3 ASP 52 27.982 6.779 3.864
387 H GLY 53 H GLY 53 26.646 8.994 5.801
388 HA2 GLY 53 HA2 GLY 53 25.243 10.614 3.814
389 HA3 GLY 53 HA3 GLY 53 25.729 11.095 5.440
390 H GLU 54 H GLU 54 28.237 9.368 3.771
391 HA GLU 54 HA GLU 54 30.062 11.456 3.899
392 HB2 GLU 54 HB2 GLU 54 30.019 8.983 2.102
393 HB3 GLU 54 HB3 GLU 54 31.454 9.968 2.468
394 HG2 GLU 54 HG2 GLU 54 31.270 9.406 4.849
395 HG3 GLU 54 HG3 GLU 54 29.775 8.504 4.550
396 H ASP 55 H ASP 55 28.212 10.189 1.021
397 HA ASP 55 HA ASP 55 29.417 11.974 -0.814
398 HB2 ASP 55 HB2 ASP 55 26.701 10.608 -0.990
399 HB3 ASP 55 HB3 ASP 55 27.623 11.319 -2.330
400 H ASP 56 H ASP 56 26.294 12.079 1.039
401 HA ASP 56 HA ASP 56 25.789 14.734 -0.068
402 HB2 ASP 56 HB2 ASP 56 24.009 12.979 1.628
403 HB3 ASP 56 HB3 ASP 56 23.605 14.590 1.006
404 H VAL 57 H VAL 57 27.950 15.270 1.202
405 HA VAL 57 HA VAL 57 26.916 16.774 3.471
406 HB VAL 57 HB VAL 57 27.815 14.646 4.462
407 HG11 VAL 57 1HG1 VAL 57 30.496 15.929 3.811
408 HG12 VAL 57 2HG1 VAL 57 30.205 14.400 4.670
409 HG13 VAL 57 3HG1 VAL 57 29.827 14.543 2.935
410 HG21 VAL 57 3HG2 VAL 57 29.095 17.282 5.279
411 HG22 VAL 57 1HG2 VAL 57 27.455 16.741 5.715
412 HG23 VAL 57 2HG2 VAL 57 28.876 15.849 6.304
413 H PHE 58 H PHE 58 28.311 18.605 3.919
414 HA PHE 58 HA PHE 58 29.599 19.650 1.591
415 HB2 PHE 58 HB2 PHE 58 29.559 20.743 4.427
416 HB3 PHE 58 HB3 PHE 58 30.016 21.615 2.957
417 HD1 PHE 58 HD1 PHE 58 27.200 20.119 4.841
418 HD2 PHE 58 HD2 PHE 58 28.347 22.483 1.437
419 HE1 PHE 58 HE1 PHE 58 24.835 20.787 4.508
420 HE2 PHE 58 HE2 PHE 58 25.981 23.151 1.106
421 HZ PHE 58 HZ PHE 58 24.225 22.305 2.641
422 H ASP 59 H ASP 59 31.915 20.340 1.611
423 HA ASP 59 HA ASP 59 33.650 18.295 2.457
424 HB2 ASP 59 HB2 ASP 59 34.420 21.084 1.609
425 HB3 ASP 59 HB3 ASP 59 35.467 19.653 1.699
426 HA PRO 60 HA PRO 60 35.319 21.030 5.951
427 HB2 PRO 60 HB2 PRO 60 33.631 22.709 7.315
428 HB3 PRO 60 HB3 PRO 60 34.664 23.222 5.934
429 HG2 PRO 60 HG2 PRO 60 31.749 22.396 5.884
430 HG3 PRO 60 HG3 PRO 60 32.503 23.836 5.119
431 HD2 PRO 60 HD2 PRO 60 31.984 21.580 3.710
432 HD3 PRO 60 HD3 PRO 60 33.484 22.510 3.411
433 H ASP 61 H ASP 61 31.986 19.673 6.164
434 HA ASP 61 HA ASP 61 32.806 18.736 8.841
435 HB2 ASP 61 HB2 ASP 61 30.006 18.796 7.651
436 HB3 ASP 61 HB3 ASP 61 30.457 18.261 9.284
437 H LEU 62 H LEU 62 33.403 16.635 9.026
438 HA LEU 62 HA LEU 62 32.417 14.832 6.908
439 HB2 LEU 62 HB2 LEU 62 35.027 14.589 8.400
440 HB3 LEU 62 HB3 LEU 62 34.371 13.442 7.214
441 HG LEU 62 HG LEU 62 35.046 16.370 6.655
442 HD11 LEU 62 1HD1 LEU 62 36.484 13.794 5.893
443 HD12 LEU 62 2HD1 LEU 62 36.928 15.430 5.352
444 HD13 LEU 62 3HD1 LEU 62 37.049 15.002 7.071
445 HD21 LEU 62 3HD2 LEU 62 34.209 14.094 4.803
446 HD22 LEU 62 1HD2 LEU 62 33.255 15.549 5.177
447 HD23 LEU 62 2HD2 LEU 62 34.772 15.698 4.273
448 H ASP 63 H ASP 63 31.054 13.434 7.504
449 HA ASP 63 HA ASP 63 30.115 13.043 10.097
450 HB2 ASP 63 HB2 ASP 63 29.794 11.427 7.549
451 HB3 ASP 63 HB3 ASP 63 29.024 10.992 9.072
452 H MET 64 H MET 64 32.439 11.182 8.082
453 HA MET 64 HA MET 64 32.615 8.895 9.669
454 HB2 MET 64 HB2 MET 64 34.776 10.242 7.984
455 HB3 MET 64 HB3 MET 64 34.801 8.566 8.574
456 HG2 MET 64 HG2 MET 64 32.784 8.058 7.269
457 HG3 MET 64 HG3 MET 64 32.676 9.741 6.742
458 HE1 MET 64 HE1 MET 64 34.702 6.404 6.573
459 HE2 MET 64 HE2 MET 64 36.033 6.813 5.465
460 HE3 MET 64 HE3 MET 64 35.968 7.547 7.081
461 H GLU 65 H GLU 65 34.518 11.977 9.707
462 HA GLU 65 HA GLU 65 36.338 11.155 11.694
463 HB2 GLU 65 HB2 GLU 65 35.521 13.956 10.903
464 HB3 GLU 65 HB3 GLU 65 36.912 13.499 11.911
465 HG2 GLU 65 HG2 GLU 65 37.801 12.134 10.024
466 HG3 GLU 65 HG3 GLU 65 36.452 12.685 9.011
467 H VAL 66 H VAL 66 33.191 12.962 12.013
468 HA VAL 66 HA VAL 66 33.782 12.903 14.910
469 HB VAL 66 HB VAL 66 31.780 14.611 13.417
470 HG11 VAL 66 1HG1 VAL 66 32.775 14.625 16.302
471 HG12 VAL 66 2HG1 VAL 66 31.649 15.802 15.586
472 HG13 VAL 66 3HG1 VAL 66 31.165 14.103 15.764
473 HG21 VAL 66 3HG2 VAL 66 34.515 15.270 14.592
474 HG22 VAL 66 1HG2 VAL 66 34.094 15.252 12.862
475 HG23 VAL 66 2HG2 VAL 66 33.359 16.455 13.942
476 H VAL 67 H VAL 67 32.769 11.464 16.084
477 HA VAL 67 HA VAL 67 30.856 9.636 15.117
478 HB VAL 67 HB VAL 67 31.710 10.332 17.941
479 HG11 VAL 67 1HG1 VAL 67 30.249 7.915 16.794
480 HG12 VAL 67 2HG1 VAL 67 30.856 8.058 18.460
481 HG13 VAL 67 3HG1 VAL 67 29.560 9.132 17.894
482 HG21 VAL 67 3HG2 VAL 67 32.641 8.181 15.989
483 HG22 VAL 67 1HG2 VAL 67 33.586 9.594 16.515
484 HG23 VAL 67 2HG2 VAL 67 33.154 8.329 17.685
485 H PHE 68 H PHE 68 30.635 12.629 17.130
486 HA PHE 68 HA PHE 68 27.826 12.377 17.591
487 HB2 PHE 68 HB2 PHE 68 29.628 14.794 17.884
488 HB3 PHE 68 HB3 PHE 68 27.968 14.639 18.478
489 HD1 PHE 68 HD1 PHE 68 31.463 13.486 18.908
490 HD2 PHE 68 HD2 PHE 68 27.456 13.348 20.461
491 HE1 PHE 68 HE1 PHE 68 32.310 12.464 21.004
492 HE2 PHE 68 HE2 PHE 68 28.305 12.330 22.558
493 HZ PHE 68 HZ PHE 68 30.732 11.889 22.830
494 H GLU 69 H GLU 69 26.151 13.523 16.721
495 HA GLU 69 HA GLU 69 24.860 14.303 15.086
496 HB2 GLU 69 HB2 GLU 69 27.080 16.295 14.635
497 HB3 GLU 69 HB3 GLU 69 25.391 16.421 14.092
498 HG2 GLU 69 HG2 GLU 69 24.630 16.344 16.446
499 HG3 GLU 69 HG3 GLU 69 26.317 16.236 16.988
500 H THR 70 H THR 70 26.234 11.974 14.289
501 HA THR 70 HA THR 70 27.193 12.456 11.607
502 HB THR 70 HB THR 70 26.581 9.915 13.105
503 HG1 THR 70 HG1 THR 70 28.445 11.114 13.693
504 HG21 THR 70 1HG2 THR 70 27.580 10.411 10.280
505 HG22 THR 70 2HG2 THR 70 27.754 8.855 11.129
506 HG23 THR 70 3HG2 THR 70 26.139 9.499 10.765
507 H GLN 71 H GLN 71 25.907 12.429 9.803
508 HA GLN 71 HA GLN 71 23.063 12.533 10.136
509 HB2 GLN 71 HB2 GLN 71 24.537 12.284 7.506
510 HB3 GLN 71 HB3 GLN 71 22.922 12.939 7.789
511 HG2 GLN 71 HG2 GLN 71 23.900 14.900 8.899
512 HG3 GLN 71 HG3 GLN 71 25.527 14.201 8.741
513 HE21 GLN 71 1HE2 GLN 71 26.127 13.518 6.397
514 HE22 GLN 71 2HE2 GLN 71 25.691 14.648 5.134
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 -15.143 -7.830 0.937
2 H2 GLY 1 H2 GLY 1 -15.927 -9.168 0.254
3 H3 GLY 1 H3 GLY 1 -14.354 -9.329 0.840
4 HA2 GLY 1 HA3 GLY 1 -15.266 -7.814 -1.541
5 HA3 GLY 1 HA2 GLY 1 -13.627 -7.676 -0.864
6 H SER 2 H SER 2 -12.329 -8.716 -2.317
7 HA SER 2 HA SER 2 -13.174 -11.168 -3.572
8 HB2 SER 2 HB2 SER 2 -11.760 -9.468 -4.766
9 HB3 SER 2 HB3 SER 2 -10.437 -9.855 -3.639
10 HG SER 2 HG SER 2 -10.345 -11.071 -5.577
11 H THR 3 H THR 3 -11.565 -13.091 -3.466
12 HA THR 3 HA THR 3 -11.201 -13.762 -0.668
13 HB THR 3 HB THR 3 -10.665 -15.407 -3.138
14 HG1 THR 3 HG1 THR 3 -12.860 -14.783 -2.857
15 HG21 THR 3 1HG2 THR 3 -10.984 -16.129 -0.194
16 HG22 THR 3 2HG2 THR 3 -10.764 -17.280 -1.532
17 HG23 THR 3 3HG2 THR 3 -9.458 -16.148 -1.108
18 H ALA 4 H ALA 4 -9.688 -11.959 -0.459
19 HA ALA 4 HA ALA 4 -6.941 -12.760 -1.006
20 HB1 ALA 4 HB1 ALA 4 -8.044 -9.946 -1.434
21 HB2 ALA 4 HB2 ALA 4 -6.331 -10.421 -1.494
22 HB3 ALA 4 HB3 ALA 4 -7.467 -11.034 -2.719
23 H MET 5 H MET 5 -5.523 -11.686 0.624
24 HA MET 5 HA MET 5 -6.658 -11.674 3.202
25 HB2 MET 5 HB2 MET 5 -4.518 -10.994 4.028
26 HB3 MET 5 HB3 MET 5 -4.282 -12.240 2.780
27 HG2 MET 5 HG2 MET 5 -3.861 -10.439 1.103
28 HG3 MET 5 HG3 MET 5 -4.017 -9.227 2.396
29 HE1 MET 5 HE1 MET 5 -1.883 -11.852 0.604
30 HE2 MET 5 HE2 MET 5 -0.571 -12.197 1.755
31 HE3 MET 5 HE3 MET 5 -2.231 -12.736 2.109
32 H ALA 6 H ALA 6 -7.212 -10.159 4.593
33 HA ALA 6 HA ALA 6 -8.165 -8.301 5.348
34 HB1 ALA 6 HB1 ALA 6 -5.963 -6.941 3.774
35 HB2 ALA 6 HB2 ALA 6 -6.977 -6.192 5.030
36 HB3 ALA 6 HB3 ALA 6 -5.868 -7.517 5.456
37 H THR 7 H THR 7 -9.369 -9.444 2.985
38 HA THR 7 HA THR 7 -10.861 -9.058 1.381
39 HB THR 7 HB THR 7 -12.669 -7.619 1.857
40 HG1 THR 7 HG1 THR 7 -11.470 -5.918 2.808
41 HG21 THR 7 1HG2 THR 7 -11.612 -9.137 4.277
42 HG22 THR 7 2HG2 THR 7 -13.309 -8.680 3.993
43 HG23 THR 7 3HG2 THR 7 -12.509 -9.846 2.913
44 H THR 8 H THR 8 -8.516 -8.267 0.381
45 HA THR 8 HA THR 8 -8.638 -5.581 -0.582
46 HB THR 8 HB THR 8 -7.087 -7.913 -1.705
47 HG1 THR 8 HG1 THR 8 -6.689 -7.513 0.517
48 HG21 THR 8 1HG2 THR 8 -6.651 -4.915 -1.862
49 HG22 THR 8 2HG2 THR 8 -5.571 -6.171 -2.513
50 HG23 THR 8 3HG2 THR 8 -7.203 -5.962 -3.191
51 H MET 9 H MET 9 -9.660 -4.776 -2.322
52 HA MET 9 HA MET 9 -11.443 -6.486 -3.859
53 HB2 MET 9 HB2 MET 9 -11.163 -3.505 -3.433
54 HB3 MET 9 HB3 MET 9 -12.052 -4.141 -4.837
55 HG2 MET 9 HG2 MET 9 -13.623 -3.717 -3.054
56 HG3 MET 9 HG3 MET 9 -13.467 -5.477 -3.256
57 HE1 MET 9 HE1 MET 9 -12.756 -2.344 -1.065
58 HE2 MET 9 HE2 MET 9 -11.751 -3.014 0.241
59 HE3 MET 9 HE3 MET 9 -11.104 -2.906 -1.414
60 H GLU 10 H GLU 10 -8.248 -5.581 -4.121
61 HA GLU 10 HA GLU 10 -6.694 -5.439 -5.669
62 HB2 GLU 10 HB2 GLU 10 -8.587 -6.980 -7.434
63 HB3 GLU 10 HB3 GLU 10 -6.830 -6.782 -7.636
64 HG2 GLU 10 HG2 GLU 10 -6.464 -7.868 -5.429
65 HG3 GLU 10 HG3 GLU 10 -8.221 -8.090 -5.255
66 H GLN 11 H GLN 11 -8.335 -3.157 -5.320
67 HA GLN 11 HA GLN 11 -8.006 -1.975 -7.995
68 HB2 GLN 11 HB2 GLN 11 -9.789 -0.374 -7.454
69 HB3 GLN 11 HB3 GLN 11 -10.363 -2.047 -7.654
70 HG2 GLN 11 HG2 GLN 11 -10.471 -2.311 -5.221
71 HG3 GLN 11 HG3 GLN 11 -9.867 -0.650 -5.006
72 HE21 GLN 11 1HE2 GLN 11 -12.607 -2.433 -4.840
73 HE22 GLN 11 2HE2 GLN 11 -13.795 -1.239 -5.314
74 H GLU 12 H GLU 12 -6.064 -2.332 -5.747
75 HA GLU 12 HA GLU 12 -4.556 -1.219 -4.536
76 HB2 GLU 12 HB2 GLU 12 -4.838 0.755 -6.786
77 HB3 GLU 12 HB3 GLU 12 -3.519 0.699 -5.592
78 HG2 GLU 12 HG2 GLU 12 -2.998 -1.624 -6.317
79 HG3 GLU 12 HG3 GLU 12 -4.273 -1.505 -7.553
80 H ILE 13 H ILE 13 -6.658 -1.097 -3.020
81 HA ILE 13 HA ILE 13 -6.838 1.744 -2.249
82 HB ILE 13 HB ILE 13 -8.777 1.170 -0.919
83 HG12 ILE 13 2HG1 ILE 13 -8.470 -1.174 -0.448
84 HG13 ILE 13 3HG1 ILE 13 -10.030 -0.874 -1.249
85 HG21 ILE 13 1HG2 ILE 13 -8.890 0.447 -3.870
86 HG22 ILE 13 2HG2 ILE 13 -10.276 0.951 -2.873
87 HG23 ILE 13 3HG2 ILE 13 -8.943 2.088 -3.185
88 HD11 ILE 13 3HD1 ILE 13 -9.117 -1.731 -3.348
89 HD12 ILE 13 1HD1 ILE 13 -7.557 -2.031 -2.546
90 HD13 ILE 13 2HD1 ILE 13 -9.009 -2.924 -2.032
91 H CYS 14 H CYS 14 -5.727 2.439 -0.728
92 HA CYS 14 HA CYS 14 -5.449 1.225 1.822
93 HB2 CYS 14 HB2 CYS 14 -2.909 1.491 0.196
94 HB3 CYS 14 HB3 CYS 14 -2.996 1.333 1.967
95 H ALA 15 H ALA 15 -3.772 2.791 3.092
96 HA ALA 15 HA ALA 15 -4.703 5.431 2.926
97 HB1 ALA 15 HB1 ALA 15 -2.114 4.369 4.151
98 HB2 ALA 15 HB2 ALA 15 -2.843 5.963 4.462
99 HB3 ALA 15 HB3 ALA 15 -3.680 4.483 4.989
100 H HIS 16 H HIS 16 -1.788 3.642 1.771
101 HA HIS 16 HA HIS 16 -0.823 5.925 0.229
102 HB2 HIS 16 HB2 HIS 16 0.506 3.296 0.859
103 HB3 HIS 16 HB3 HIS 16 1.166 4.576 -0.186
104 HD1 HIS 16 HD1 HIS 16 1.802 6.814 1.022
105 HD2 HIS 16 HD2 HIS 16 0.615 3.712 3.592
106 HE1 HIS 16 HE1 HIS 16 2.476 7.511 3.412
107 H SER 17 H SER 17 0.252 4.747 -1.989
108 HA SER 17 HA SER 17 -1.963 4.522 -3.671
109 HB2 SER 17 HB2 SER 17 -0.312 4.079 -5.407
110 HB3 SER 17 HB3 SER 17 0.208 5.427 -4.366
111 HG SER 17 HG SER 17 1.881 3.912 -4.762
112 H MET 18 H MET 18 0.049 1.743 -2.535
113 HA MET 18 HA MET 18 -1.457 0.056 -4.361
114 HB2 MET 18 HB2 MET 18 0.767 -0.667 -2.478
115 HB3 MET 18 HB3 MET 18 0.006 -1.713 -3.700
116 HG2 MET 18 HG2 MET 18 1.417 0.906 -4.317
117 HG3 MET 18 HG3 MET 18 2.162 -0.705 -4.450
118 HE1 MET 18 HE1 MET 18 -0.280 -2.445 -5.505
119 HE2 MET 18 HE2 MET 18 0.029 -2.392 -7.256
120 HE3 MET 18 HE3 MET 18 1.386 -2.577 -6.119
121 H THR 19 H THR 19 -1.667 -2.315 -3.447
122 HA THR 19 HA THR 19 -4.200 -2.256 -2.151
123 HB THR 19 HB THR 19 -4.096 -4.686 -2.376
124 HG1 THR 19 HG1 THR 19 -2.272 -5.559 -3.428
125 HG21 THR 19 1HG2 THR 19 -3.230 -3.208 -4.886
126 HG22 THR 19 2HG2 THR 19 -4.036 -4.794 -4.831
127 HG23 THR 19 3HG2 THR 19 -4.896 -3.339 -4.272
128 H PHE 20 H PHE 20 -4.685 -3.887 -0.381
129 HA PHE 20 HA PHE 20 -3.348 -3.245 1.975
130 HB2 PHE 20 HB2 PHE 20 -5.203 -5.561 1.335
131 HB3 PHE 20 HB3 PHE 20 -4.577 -5.194 2.960
132 HD1 PHE 20 HD1 PHE 20 -4.866 -2.660 3.694
133 HD2 PHE 20 HD2 PHE 20 -7.254 -4.638 0.719
134 HE1 PHE 20 HE1 PHE 20 -6.645 -0.958 3.993
135 HE2 PHE 20 HE2 PHE 20 -9.041 -2.946 1.029
136 HZ PHE 20 HZ PHE 20 -8.734 -1.103 2.661
137 H GLU 21 H GLU 21 -3.064 -6.021 -0.278
138 HA GLU 21 HA GLU 21 -1.401 -7.689 1.205
139 HB2 GLU 21 HB2 GLU 21 -1.497 -7.242 -1.822
140 HB3 GLU 21 HB3 GLU 21 -0.827 -8.666 -0.992
141 HG2 GLU 21 HG2 GLU 21 -3.061 -9.197 -0.101
142 HG3 GLU 21 HG3 GLU 21 -3.731 -7.772 -0.930
143 H GLU 22 H GLU 22 -0.781 -4.900 -0.994
144 HA GLU 22 HA GLU 22 2.102 -5.170 -0.773
145 HB2 GLU 22 HB2 GLU 22 0.350 -3.218 -2.331
146 HB3 GLU 22 HB3 GLU 22 2.114 -3.409 -2.480
147 HG2 GLU 22 HG2 GLU 22 0.079 -5.573 -3.105
148 HG3 GLU 22 HG3 GLU 22 0.850 -4.511 -4.308
149 H CYS 23 H CYS 23 -0.090 -3.973 1.436
150 HA CYS 23 HA CYS 23 0.627 -1.309 1.821
151 HB2 CYS 23 HB2 CYS 23 -0.343 -3.363 3.790
152 HB3 CYS 23 HB3 CYS 23 0.190 -1.744 4.299
153 HA PRO 24 HA PRO 24 4.120 -2.596 4.811
154 HB2 PRO 24 HB2 PRO 24 5.566 -4.843 4.315
155 HB3 PRO 24 HB3 PRO 24 4.237 -4.764 5.496
156 HG2 PRO 24 HG2 PRO 24 4.184 -5.771 2.617
157 HG3 PRO 24 HG3 PRO 24 3.417 -6.493 4.051
158 HD2 PRO 24 HD2 PRO 24 1.981 -4.964 2.300
159 HD3 PRO 24 HD3 PRO 24 1.638 -4.952 4.046
160 H LYS 25 H LYS 25 4.283 -3.558 1.375
161 HA LYS 25 HA LYS 25 6.928 -2.693 0.887
162 HB2 LYS 25 HB2 LYS 25 4.560 -3.032 -0.972
163 HB3 LYS 25 HB3 LYS 25 6.246 -2.766 -1.473
164 HG2 LYS 25 HG2 LYS 25 6.934 -4.834 -0.325
165 HG3 LYS 25 HG3 LYS 25 5.266 -5.091 0.239
166 HD2 LYS 25 HD2 LYS 25 4.492 -5.198 -2.117
167 HD3 LYS 25 HD3 LYS 25 6.167 -4.964 -2.672
168 HE2 LYS 25 HE2 LYS 25 6.849 -7.049 -1.566
169 HE3 LYS 25 HE3 LYS 25 5.200 -7.271 -0.933
170 HZ1 LYS 25 HZ1 LYS 25 5.956 -7.206 -3.764
171 HZ2 LYS 25 HZ2 LYS 25 5.576 -8.553 -2.895
172 HZ3 LYS 25 HZ3 LYS 25 4.426 -7.405 -3.180
173 H CYS 26 H CYS 26 3.718 -1.116 0.670
174 HA CYS 26 HA CYS 26 4.563 1.338 -0.401
175 HB2 CYS 26 HB2 CYS 26 2.162 0.514 1.279
176 HB3 CYS 26 HB3 CYS 26 2.417 2.191 0.741
177 HG CYS 26 HG CYS 26 0.706 1.004 -0.826
178 H SER 27 H SER 27 5.157 -0.062 2.704
179 HA SER 27 HA SER 27 5.908 0.596 4.643
180 HB2 SER 27 HB2 SER 27 6.594 3.216 3.280
181 HB3 SER 27 HB3 SER 27 7.170 2.661 4.870
182 HG SER 27 HG SER 27 8.648 2.204 3.178
183 H ALA 28 H ALA 28 3.185 0.647 4.013
184 HA ALA 28 HA ALA 28 1.816 2.961 4.822
185 HB1 ALA 28 HB1 ALA 28 0.912 0.073 4.938
186 HB2 ALA 28 HB2 ALA 28 -0.117 1.512 5.130
187 HB3 ALA 28 HB3 ALA 28 0.685 1.191 3.573
188 H LEU 29 H LEU 29 3.060 0.092 6.607
189 HA LEU 29 HA LEU 29 1.804 0.619 9.049
190 HB2 LEU 29 HB2 LEU 29 4.531 -0.665 8.540
191 HB3 LEU 29 HB3 LEU 29 3.521 -0.858 9.992
192 HG LEU 29 HG LEU 29 2.751 -1.740 7.182
193 HD11 LEU 29 1HD1 LEU 29 3.623 -3.314 9.646
194 HD12 LEU 29 2HD1 LEU 29 3.076 -4.019 8.107
195 HD13 LEU 29 3HD1 LEU 29 4.587 -3.081 8.169
196 HD21 LEU 29 3HD2 LEU 29 1.398 -2.193 9.870
197 HD22 LEU 29 1HD2 LEU 29 0.807 -1.127 8.573
198 HD23 LEU 29 2HD2 LEU 29 0.887 -2.886 8.312
199 H GLN 30 H GLN 30 4.981 1.612 7.675
200 HA GLN 30 HA GLN 30 5.952 3.029 9.910
201 HB2 GLN 30 HB2 GLN 30 6.647 3.391 6.975
202 HB3 GLN 30 HB3 GLN 30 7.564 3.996 8.368
203 HG2 GLN 30 HG2 GLN 30 7.920 1.650 9.124
204 HG3 GLN 30 HG3 GLN 30 7.066 1.073 7.676
205 HE21 GLN 30 1HE2 GLN 30 9.740 0.343 8.256
206 HE22 GLN 30 2HE2 GLN 30 10.792 1.061 7.058
207 H TYR 31 H TYR 31 4.046 4.025 7.033
208 HA TYR 31 HA TYR 31 2.923 5.857 6.472
209 HB2 TYR 31 HB2 TYR 31 3.183 6.861 9.282
210 HB3 TYR 31 HB3 TYR 31 2.284 7.629 7.962
211 HD1 TYR 31 HD2 TYR 31 0.452 6.313 6.792
212 HD2 TYR 31 HD1 TYR 31 2.199 5.079 10.522
213 HE1 TYR 31 HE2 TYR 31 -1.494 4.833 7.203
214 HE2 TYR 31 HE1 TYR 31 0.258 3.596 10.948
215 HH TYR 31 HH TYR 31 -1.753 2.818 10.164
216 H ARG 32 H ARG 32 5.975 5.525 6.510
217 HA ARG 32 HA ARG 32 6.691 8.315 5.963
218 HB2 ARG 32 HB2 ARG 32 8.060 7.253 7.730
219 HB3 ARG 32 HB3 ARG 32 8.389 5.867 6.682
220 HG2 ARG 32 HG2 ARG 32 9.660 7.270 5.143
221 HG3 ARG 32 HG3 ARG 32 9.241 8.732 6.071
222 HD2 ARG 32 HD2 ARG 32 10.706 6.327 7.239
223 HD3 ARG 32 HD3 ARG 32 11.530 7.767 6.628
224 HE ARG 32 HE ARG 32 9.830 7.597 9.046
225 HH11 ARG 32 1HH1 ARG 32 11.911 9.513 6.905
226 HH12 ARG 32 2HH1 ARG 32 12.096 10.821 8.051
227 HH21 ARG 32 1HH2 ARG 32 10.081 9.324 10.533
228 HH22 ARG 32 2HH2 ARG 32 11.056 10.714 10.111
229 H ASN 33 H ASN 33 6.654 8.483 3.649
230 HA ASN 33 HA ASN 33 6.260 6.092 2.100
231 HB2 ASN 33 HB2 ASN 33 5.092 8.321 1.744
232 HB3 ASN 33 HB3 ASN 33 6.632 8.966 1.156
233 HD21 ASN 33 1HD2 ASN 33 4.091 8.724 -0.274
234 HD22 ASN 33 2HD2 ASN 33 4.386 7.692 -1.656
235 H GLY 34 H GLY 34 7.784 4.899 1.161
236 HA2 GLY 34 HA2 GLY 34 10.523 5.376 1.403
237 HA3 GLY 34 HA3 GLY 34 9.724 4.159 0.398
238 H PHE 35 H PHE 35 8.214 5.852 -1.354
239 HA PHE 35 HA PHE 35 10.396 6.754 -3.059
240 HB2 PHE 35 HB2 PHE 35 8.688 7.092 -4.790
241 HB3 PHE 35 HB3 PHE 35 9.079 5.443 -4.298
242 HD1 PHE 35 HD2 PHE 35 7.500 4.034 -3.124
243 HD2 PHE 35 HD1 PHE 35 6.471 8.043 -4.271
244 HE1 PHE 35 HE2 PHE 35 5.104 3.529 -2.730
245 HE2 PHE 35 HE1 PHE 35 4.073 7.542 -3.874
246 HZ PHE 35 HZ PHE 35 3.389 5.283 -3.106
247 H TYR 36 H TYR 36 10.177 8.710 -4.373
248 HA TYR 36 HA TYR 36 10.325 10.919 -4.534
249 HB2 TYR 36 HB2 TYR 36 8.309 11.273 -2.344
250 HB3 TYR 36 HB3 TYR 36 9.028 12.529 -3.357
251 HD1 TYR 36 HD2 TYR 36 8.744 12.241 -5.942
252 HD2 TYR 36 HD1 TYR 36 6.312 10.257 -3.004
253 HE1 TYR 36 HE2 TYR 36 6.971 11.913 -7.643
254 HE2 TYR 36 HE1 TYR 36 4.529 9.926 -4.693
255 HH TYR 36 HH TYR 36 3.877 10.264 -6.867
256 H LEU 37 H LEU 37 12.437 10.320 -3.898
257 HA LEU 37 HA LEU 37 13.447 10.179 -1.316
258 HB2 LEU 37 HB2 LEU 37 14.630 9.399 -3.370
259 HB3 LEU 37 HB3 LEU 37 14.764 11.076 -3.921
260 HG LEU 37 HG LEU 37 16.145 11.599 -1.889
261 HD11 LEU 37 1HD1 LEU 37 15.914 8.583 -1.515
262 HD12 LEU 37 2HD1 LEU 37 17.112 9.600 -0.691
263 HD13 LEU 37 3HD1 LEU 37 15.377 9.843 -0.374
264 HD21 LEU 37 3HD2 LEU 37 17.132 9.304 -3.632
265 HD22 LEU 37 1HD2 LEU 37 17.178 11.032 -4.058
266 HD23 LEU 37 2HD2 LEU 37 18.156 10.423 -2.702
267 H LEU 38 H LEU 38 13.178 13.047 -3.584
268 HA LEU 38 HA LEU 38 14.391 14.682 -1.511
269 HB2 LEU 38 HB2 LEU 38 13.246 15.517 -4.195
270 HB3 LEU 38 HB3 LEU 38 14.138 16.549 -3.060
271 HG LEU 38 HG LEU 38 15.237 14.057 -4.438
272 HD11 LEU 38 1HD1 LEU 38 15.778 17.021 -4.893
273 HD12 LEU 38 2HD1 LEU 38 16.597 15.674 -5.717
274 HD13 LEU 38 3HD1 LEU 38 14.859 15.952 -5.979
275 HD21 LEU 38 3HD2 LEU 38 16.567 16.139 -2.648
276 HD22 LEU 38 1HD2 LEU 38 16.312 14.420 -2.260
277 HD23 LEU 38 2HD2 LEU 38 17.425 14.877 -3.562
278 H LYS 39 H LYS 39 12.973 14.770 0.218
279 HA LYS 39 HA LYS 39 10.240 15.653 -0.430
280 HB2 LYS 39 HB2 LYS 39 11.250 14.480 2.178
281 HB3 LYS 39 HB3 LYS 39 9.611 15.064 1.840
282 HG2 LYS 39 HG2 LYS 39 9.411 13.324 0.044
283 HG3 LYS 39 HG3 LYS 39 11.014 12.705 0.529
284 HD2 LYS 39 HD2 LYS 39 10.191 12.300 2.811
285 HD3 LYS 39 HD3 LYS 39 8.610 12.988 2.382
286 HE2 LYS 39 HE2 LYS 39 8.301 11.194 0.692
287 HE3 LYS 39 HE3 LYS 39 9.856 10.486 1.180
288 HZ1 LYS 39 HZ1 LYS 39 8.963 10.204 3.376
289 HZ2 LYS 39 HZ2 LYS 39 8.012 9.435 2.270
290 HZ3 LYS 39 HZ3 LYS 39 7.524 10.868 2.924
291 H TYR 40 H TYR 40 10.067 17.799 -0.204
292 HA TYR 40 HA TYR 40 12.006 19.435 1.057
293 HB2 TYR 40 HB2 TYR 40 9.179 20.065 0.148
294 HB3 TYR 40 HB3 TYR 40 10.386 21.248 0.667
295 HD1 TYR 40 HD1 TYR 40 9.432 18.861 -1.988
296 HD2 TYR 40 HD2 TYR 40 12.270 21.839 -0.740
297 HE1 TYR 40 HE1 TYR 40 10.341 18.951 -4.293
298 HE2 TYR 40 HE2 TYR 40 13.188 21.941 -3.040
299 HH TYR 40 HH TYR 40 11.887 19.903 -5.696
300 H ASP 41 H ASP 41 8.790 18.160 1.961
301 HA ASP 41 HA ASP 41 8.369 19.650 4.285
302 HB2 ASP 41 HB2 ASP 41 7.406 16.835 3.639
303 HB3 ASP 41 HB3 ASP 41 6.715 17.943 4.841
304 H GLU 42 H GLU 42 9.957 16.411 3.792
305 HA GLU 42 HA GLU 42 10.446 16.287 6.665
306 HB2 GLU 42 HB2 GLU 42 11.189 14.291 4.547
307 HB3 GLU 42 HB3 GLU 42 11.506 14.163 6.288
308 HG2 GLU 42 HG2 GLU 42 9.053 14.323 6.718
309 HG3 GLU 42 HG3 GLU 42 8.772 14.346 4.964
310 H GLU 43 H GLU 43 12.421 16.186 7.652
311 HA GLU 43 HA GLU 43 14.448 17.742 6.236
312 HB2 GLU 43 HB2 GLU 43 13.750 18.614 8.431
313 HB3 GLU 43 HB3 GLU 43 14.153 17.058 9.192
314 HG2 GLU 43 HG2 GLU 43 16.509 17.315 8.505
315 HG3 GLU 43 HG3 GLU 43 16.115 18.830 7.675
316 H TRP 44 H TRP 44 16.207 16.841 5.538
317 HA TRP 44 HA TRP 44 17.728 15.368 4.895
318 HB2 TRP 44 HB2 TRP 44 17.750 14.812 7.835
319 HB3 TRP 44 HB3 TRP 44 18.886 14.096 6.736
320 HD1 TRP 44 HD1 TRP 44 18.384 17.507 5.538
321 HE1 TRP 44 HE1 TRP 44 20.220 19.075 6.347
322 HE3 TRP 44 HE3 TRP 44 20.435 14.533 9.158
323 HZ2 TRP 44 HZ2 TRP 44 22.343 19.045 8.327
324 HZ3 TRP 44 HZ3 TRP 44 22.361 15.328 10.482
325 HH2 TRP 44 HH2 TRP 44 23.325 17.575 10.079
326 H TYR 45 H TYR 45 15.141 14.401 4.273
327 HA TYR 45 HA TYR 45 14.943 11.672 5.038
328 HB2 TYR 45 HB2 TYR 45 13.015 12.955 4.242
329 HB3 TYR 45 HB3 TYR 45 13.725 13.019 2.621
330 HD1 TYR 45 HD1 TYR 45 12.715 10.602 5.308
331 HD2 TYR 45 HD2 TYR 45 13.344 11.255 1.117
332 HE1 TYR 45 HE1 TYR 45 11.832 8.334 4.812
333 HE2 TYR 45 HE2 TYR 45 12.460 9.002 0.605
334 HH TYR 45 HH TYR 45 11.623 7.048 1.480
335 HA PRO 46 HA PRO 46 17.354 10.706 0.969
336 HB2 PRO 46 HB2 PRO 46 19.139 13.122 0.825
337 HB3 PRO 46 HB3 PRO 46 18.472 12.138 -0.523
338 HG2 PRO 46 HG2 PRO 46 17.404 14.567 0.066
339 HG3 PRO 46 HG3 PRO 46 16.338 13.176 -0.318
340 HD2 PRO 46 HD2 PRO 46 17.055 14.285 2.404
341 HD3 PRO 46 HD3 PRO 46 15.455 13.775 1.776
342 H GLU 47 H GLU 47 18.868 12.732 3.507
343 HA GLU 47 HA GLU 47 21.298 11.313 3.651
344 HB2 GLU 47 HB2 GLU 47 19.950 13.189 5.537
345 HB3 GLU 47 HB3 GLU 47 21.472 12.372 5.897
346 HG2 GLU 47 HG2 GLU 47 22.101 14.474 5.058
347 HG3 GLU 47 HG3 GLU 47 22.392 13.336 3.736
348 H GLU 48 H GLU 48 18.135 10.850 5.334
349 HA GLU 48 HA GLU 48 19.056 8.960 7.167
350 HB2 GLU 48 HB2 GLU 48 16.378 9.202 5.763
351 HB3 GLU 48 HB3 GLU 48 16.711 8.034 7.047
352 HG2 GLU 48 HG2 GLU 48 17.095 9.797 8.656
353 HG3 GLU 48 HG3 GLU 48 16.968 11.037 7.401
354 H LEU 49 H LEU 49 17.736 8.634 3.779
355 HA LEU 49 HA LEU 49 17.936 5.793 3.755
356 HB2 LEU 49 HB2 LEU 49 17.743 7.631 1.389
357 HB3 LEU 49 HB3 LEU 49 17.574 5.862 1.401
358 HG LEU 49 HG LEU 49 15.791 7.860 2.864
359 HD11 LEU 49 1HD1 LEU 49 15.272 5.963 0.535
360 HD12 LEU 49 2HD1 LEU 49 14.059 7.002 1.317
361 HD13 LEU 49 3HD1 LEU 49 15.413 7.733 0.435
362 HD21 LEU 49 3HD2 LEU 49 15.695 4.814 2.768
363 HD22 LEU 49 1HD2 LEU 49 15.960 5.825 4.212
364 HD23 LEU 49 2HD2 LEU 49 14.392 5.854 3.389
365 H LEU 50 H LEU 50 20.271 8.327 2.695
366 HA LEU 50 HA LEU 50 21.978 6.390 1.476
367 HB2 LEU 50 HB2 LEU 50 22.505 9.236 2.339
368 HB3 LEU 50 HB3 LEU 50 23.649 8.214 1.447
369 HG LEU 50 HG LEU 50 20.842 8.867 0.454
370 HD11 LEU 50 1HD1 LEU 50 23.527 10.115 -0.264
371 HD12 LEU 50 2HD1 LEU 50 21.973 10.462 -1.058
372 HD13 LEU 50 3HD1 LEU 50 22.218 10.909 0.645
373 HD21 LEU 50 3HD2 LEU 50 23.298 7.675 -0.900
374 HD22 LEU 50 1HD2 LEU 50 21.790 6.812 -0.512
375 HD23 LEU 50 2HD2 LEU 50 21.781 8.111 -1.720
376 H THR 51 H THR 51 23.516 5.179 2.136
377 HA THR 51 HA THR 51 23.975 4.677 4.873
378 HB THR 51 HB THR 51 25.727 3.197 4.079
379 HG1 THR 51 HG1 THR 51 25.997 3.028 1.811
380 HG21 THR 51 1HG2 THR 51 23.158 3.052 2.441
381 HG22 THR 51 2HG2 THR 51 24.263 1.701 2.783
382 HG23 THR 51 3HG2 THR 51 23.359 2.465 4.110
383 H ASP 52 H ASP 52 25.898 6.432 2.375
384 HA ASP 52 HA ASP 52 27.726 7.280 4.523
385 HB2 ASP 52 HB2 ASP 52 28.208 7.184 1.508
386 HB3 ASP 52 HB3 ASP 52 29.347 7.793 2.728
387 H GLY 53 H GLY 53 27.677 9.478 4.943
388 HA2 GLY 53 HA2 GLY 53 25.972 11.121 3.228
389 HA3 GLY 53 HA3 GLY 53 26.405 11.419 4.910
390 H GLU 54 H GLU 54 29.219 10.484 3.082
391 HA GLU 54 HA GLU 54 30.451 12.966 3.504
392 HB2 GLU 54 HB2 GLU 54 31.689 10.850 3.304
393 HB3 GLU 54 HB3 GLU 54 31.227 10.738 1.590
394 HG2 GLU 54 HG2 GLU 54 32.381 12.878 1.132
395 HG3 GLU 54 HG3 GLU 54 32.814 13.016 2.847
396 H ASP 55 H ASP 55 28.974 11.652 0.448
397 HA ASP 55 HA ASP 55 29.809 13.837 -1.133
398 HB2 ASP 55 HB2 ASP 55 27.362 12.053 -1.490
399 HB3 ASP 55 HB3 ASP 55 28.114 13.078 -2.729
400 H ASP 56 H ASP 56 26.697 13.134 0.610
401 HA ASP 56 HA ASP 56 25.802 15.848 -0.009
402 HB2 ASP 56 HB2 ASP 56 24.251 13.571 1.215
403 HB3 ASP 56 HB3 ASP 56 23.635 15.188 0.815
404 H VAL 57 H VAL 57 27.802 16.485 1.432
405 HA VAL 57 HA VAL 57 26.488 17.159 3.967
406 HB VAL 57 HB VAL 57 28.027 15.222 4.413
407 HG11 VAL 57 1HG1 VAL 57 30.172 17.354 4.111
408 HG12 VAL 57 2HG1 VAL 57 30.393 15.641 4.533
409 HG13 VAL 57 3HG1 VAL 57 29.869 16.107 2.895
410 HG21 VAL 57 3HG2 VAL 57 28.569 17.839 5.852
411 HG22 VAL 57 1HG2 VAL 57 27.168 16.777 6.128
412 HG23 VAL 57 2HG2 VAL 57 28.810 16.201 6.491
413 H PHE 58 H PHE 58 27.359 19.103 4.856
414 HA PHE 58 HA PHE 58 27.960 21.111 2.960
415 HB2 PHE 58 HB2 PHE 58 28.068 21.093 6.023
416 HB3 PHE 58 HB3 PHE 58 28.121 22.538 5.004
417 HD1 PHE 58 HD2 PHE 58 26.121 23.338 3.838
418 HD2 PHE 58 HD1 PHE 58 25.989 19.849 6.344
419 HE1 PHE 58 HE2 PHE 58 23.642 23.429 3.833
420 HE2 PHE 58 HE1 PHE 58 23.510 19.938 6.337
421 HZ PHE 58 HZ PHE 58 22.337 21.728 5.082
422 H ASP 59 H ASP 59 30.096 22.251 2.859
423 HA ASP 59 HA ASP 59 32.346 20.595 3.101
424 HB2 ASP 59 HB2 ASP 59 32.340 23.603 2.817
425 HB3 ASP 59 HB3 ASP 59 33.684 22.488 2.504
426 HA PRO 60 HA PRO 60 33.744 23.007 6.966
427 HB2 PRO 60 HB2 PRO 60 31.141 23.551 8.334
428 HB3 PRO 60 HB3 PRO 60 32.634 24.549 8.314
429 HG2 PRO 60 HG2 PRO 60 30.478 25.253 6.812
430 HG3 PRO 60 HG3 PRO 60 32.138 25.376 6.136
431 HD2 PRO 60 HD2 PRO 60 30.105 23.173 5.708
432 HD3 PRO 60 HD3 PRO 60 31.134 24.006 4.500
433 H ASP 61 H ASP 61 30.892 20.798 7.132
434 HA ASP 61 HA ASP 61 32.277 19.558 9.425
435 HB2 ASP 61 HB2 ASP 61 29.370 19.232 8.616
436 HB3 ASP 61 HB3 ASP 61 30.182 18.473 10.001
437 H LEU 62 H LEU 62 33.158 17.624 9.240
438 HA LEU 62 HA LEU 62 32.440 16.065 6.842
439 HB2 LEU 62 HB2 LEU 62 35.037 15.956 8.387
440 HB3 LEU 62 HB3 LEU 62 34.588 14.950 6.995
441 HG LEU 62 HG LEU 62 34.872 17.990 6.982
442 HD11 LEU 62 1HD1 LEU 62 36.615 15.782 5.808
443 HD12 LEU 62 2HD1 LEU 62 36.873 17.531 5.602
444 HD13 LEU 62 3HD1 LEU 62 37.019 16.795 7.214
445 HD21 LEU 62 3HD2 LEU 62 34.322 16.004 4.734
446 HD22 LEU 62 1HD2 LEU 62 33.205 17.255 5.332
447 HD23 LEU 62 2HD2 LEU 62 34.702 17.727 4.507
448 H ASP 63 H ASP 63 31.334 14.309 7.236
449 HA ASP 63 HA ASP 63 30.534 13.422 9.755
450 HB2 ASP 63 HB2 ASP 63 30.445 12.120 7.019
451 HB3 ASP 63 HB3 ASP 63 29.807 11.355 8.470
452 H MET 64 H MET 64 33.127 12.290 7.534
453 HA MET 64 HA MET 64 33.712 9.878 8.822
454 HB2 MET 64 HB2 MET 64 35.558 11.794 7.322
455 HB3 MET 64 HB3 MET 64 35.949 10.115 7.756
456 HG2 MET 64 HG2 MET 64 34.009 9.331 6.437
457 HG3 MET 64 HG3 MET 64 33.655 10.999 5.965
458 HE1 MET 64 HE1 MET 64 36.510 12.259 5.458
459 HE2 MET 64 HE2 MET 64 36.652 11.976 3.708
460 HE3 MET 64 HE3 MET 64 35.088 12.457 4.406
461 H GLU 65 H GLU 65 35.054 13.212 9.215
462 HA GLU 65 HA GLU 65 37.013 12.544 11.119
463 HB2 GLU 65 HB2 GLU 65 35.689 15.225 10.604
464 HB3 GLU 65 HB3 GLU 65 37.199 14.933 11.494
465 HG2 GLU 65 HG2 GLU 65 36.695 14.324 8.550
466 HG3 GLU 65 HG3 GLU 65 37.679 15.649 9.194
467 H VAL 66 H VAL 66 33.601 13.724 11.586
468 HA VAL 66 HA VAL 66 34.230 13.555 14.467
469 HB VAL 66 HB VAL 66 31.917 14.945 13.091
470 HG11 VAL 66 1HG1 VAL 66 32.922 14.958 15.972
471 HG12 VAL 66 2HG1 VAL 66 31.592 15.953 15.332
472 HG13 VAL 66 3HG1 VAL 66 31.430 14.187 15.393
473 HG21 VAL 66 3HG2 VAL 66 34.491 16.039 14.307
474 HG22 VAL 66 1HG2 VAL 66 34.058 16.053 12.580
475 HG23 VAL 66 2HG2 VAL 66 33.120 17.020 13.738
476 H VAL 67 H VAL 67 33.502 11.908 15.557
477 HA VAL 67 HA VAL 67 31.957 9.806 14.477
478 HB VAL 67 HB VAL 67 32.701 10.481 17.337
479 HG11 VAL 67 1HG1 VAL 67 31.698 7.908 16.044
480 HG12 VAL 67 2HG1 VAL 67 32.284 8.059 17.717
481 HG13 VAL 67 3HG1 VAL 67 30.808 8.910 17.216
482 HG21 VAL 67 3HG2 VAL 67 33.990 8.658 15.260
483 HG22 VAL 67 1HG2 VAL 67 34.664 10.189 15.867
484 HG23 VAL 67 2HG2 VAL 67 34.489 8.801 16.962
485 H PHE 68 H PHE 68 31.229 12.590 16.657
486 HA PHE 68 HA PHE 68 28.539 11.817 17.182
487 HB2 PHE 68 HB2 PHE 68 29.877 14.529 17.460
488 HB3 PHE 68 HB3 PHE 68 28.286 14.078 18.093
489 HD1 PHE 68 HD1 PHE 68 31.931 13.671 18.484
490 HD2 PHE 68 HD2 PHE 68 28.065 12.591 20.020
491 HE1 PHE 68 HE1 PHE 68 32.995 12.806 20.551
492 HE2 PHE 68 HE2 PHE 68 29.128 11.728 22.088
493 HZ PHE 68 HZ PHE 68 31.592 11.835 22.354
494 H GLU 69 H GLU 69 26.651 12.565 16.353
495 HA GLU 69 HA GLU 69 25.186 13.120 14.768
496 HB2 GLU 69 HB2 GLU 69 26.862 15.609 14.460
497 HB3 GLU 69 HB3 GLU 69 25.184 15.366 13.922
498 HG2 GLU 69 HG2 GLU 69 24.493 14.954 16.262
499 HG3 GLU 69 HG3 GLU 69 26.165 15.211 16.802
500 H THR 70 H THR 70 26.990 11.210 13.786
501 HA THR 70 HA THR 70 27.807 12.128 11.170
502 HB THR 70 HB THR 70 27.752 9.385 12.411
503 HG1 THR 70 HG1 THR 70 29.822 11.186 11.684
504 HG21 THR 70 1HG2 THR 70 28.648 10.339 9.672
505 HG22 THR 70 2HG2 THR 70 29.094 8.766 10.375
506 HG23 THR 70 3HG2 THR 70 27.392 9.139 10.026
507 H GLN 71 H GLN 71 26.450 12.126 9.435
508 HA GLN 71 HA GLN 71 23.681 11.515 9.776
509 HB2 GLN 71 HB2 GLN 71 25.078 12.019 7.141
510 HB3 GLN 71 HB3 GLN 71 23.369 12.254 7.529
511 HG2 GLN 71 HG2 GLN 71 23.937 14.171 8.950
512 HG3 GLN 71 HG3 GLN 71 25.671 13.869 8.707
513 HE21 GLN 71 1HE2 GLN 71 26.328 13.690 6.269
514 HE22 GLN 71 2HE2 GLN 71 25.662 14.922 5.220
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 -13.847 -9.731 2.011
2 H2 GLY 1 H2 GLY 1 -14.498 -11.153 1.357
3 H3 GLY 1 H3 GLY 1 -12.862 -11.089 1.760
4 HA2 GLY 1 HA3 GLY 1 -14.254 -9.664 -0.436
5 HA3 GLY 1 HA2 GLY 1 -12.587 -9.296 0.064
6 H SER 2 H SER 2 -11.323 -10.084 -1.567
7 HA SER 2 HA SER 2 -11.934 -12.599 -2.833
8 HB2 SER 2 HB2 SER 2 -10.933 -10.670 -4.094
9 HB3 SER 2 HB3 SER 2 -9.448 -10.883 -3.137
10 HG SER 2 HG SER 2 -9.398 -12.014 -5.127
11 H THR 3 H THR 3 -10.055 -14.257 -2.990
12 HA THR 3 HA THR 3 -9.279 -14.944 -0.282
13 HB THR 3 HB THR 3 -8.790 -16.417 -2.867
14 HG1 THR 3 HG1 THR 3 -11.007 -16.143 -2.322
15 HG21 THR 3 1HG2 THR 3 -8.660 -17.262 0.058
16 HG22 THR 3 2HG2 THR 3 -8.426 -18.328 -1.347
17 HG23 THR 3 3HG2 THR 3 -7.263 -17.023 -1.016
18 H ALA 4 H ALA 4 -8.036 -12.938 -0.157
19 HA ALA 4 HA ALA 4 -5.281 -13.294 -1.034
20 HB1 ALA 4 HB1 ALA 4 -6.831 -10.671 -1.211
21 HB2 ALA 4 HB2 ALA 4 -5.085 -10.877 -1.479
22 HB3 ALA 4 HB3 ALA 4 -6.250 -11.620 -2.599
23 H MET 5 H MET 5 -3.862 -12.064 0.480
24 HA MET 5 HA MET 5 -4.684 -12.299 3.163
25 HB2 MET 5 HB2 MET 5 -2.588 -11.324 3.782
26 HB3 MET 5 HB3 MET 5 -2.314 -12.484 2.461
27 HG2 MET 5 HG2 MET 5 -2.359 -10.592 0.831
28 HG3 MET 5 HG3 MET 5 -2.545 -9.455 2.188
29 HE1 MET 5 HE1 MET 5 -0.264 -11.672 0.057
30 HE2 MET 5 HE2 MET 5 1.208 -11.846 1.042
31 HE3 MET 5 HE3 MET 5 -0.302 -12.642 1.549
32 H ALA 6 H ALA 6 -5.294 -10.926 4.674
33 HA ALA 6 HA ALA 6 -6.419 -9.258 5.611
34 HB1 ALA 6 HB1 ALA 6 -4.638 -7.534 3.872
35 HB2 ALA 6 HB2 ALA 6 -5.602 -6.984 5.263
36 HB3 ALA 6 HB3 ALA 6 -4.267 -8.136 5.505
37 H THR 7 H THR 7 -7.703 -10.503 3.343
38 HA THR 7 HA THR 7 -9.409 -10.304 1.931
39 HB THR 7 HB THR 7 -11.344 -9.172 2.664
40 HG1 THR 7 HG1 THR 7 -10.309 -7.336 3.556
41 HG21 THR 7 1HG2 THR 7 -9.804 -10.579 4.885
42 HG22 THR 7 2HG2 THR 7 -11.571 -10.378 4.808
43 HG23 THR 7 3HG2 THR 7 -10.735 -11.377 3.595
44 H THR 8 H THR 8 -7.337 -9.136 0.719
45 HA THR 8 HA THR 8 -7.965 -6.474 -0.102
46 HB THR 8 HB THR 8 -6.224 -8.509 -1.492
47 HG1 THR 8 HG1 THR 8 -5.639 -8.116 0.690
48 HG21 THR 8 1HG2 THR 8 -6.258 -5.476 -1.559
49 HG22 THR 8 2HG2 THR 8 -5.085 -6.534 -2.380
50 HG23 THR 8 3HG2 THR 8 -6.797 -6.557 -2.866
51 H MET 9 H MET 9 -9.288 -5.784 -1.683
52 HA MET 9 HA MET 9 -10.961 -7.702 -3.093
53 HB2 MET 9 HB2 MET 9 -11.079 -4.727 -2.564
54 HB3 MET 9 HB3 MET 9 -12.019 -5.450 -3.891
55 HG2 MET 9 HG2 MET 9 -13.421 -5.322 -1.931
56 HG3 MET 9 HG3 MET 9 -13.029 -7.031 -2.228
57 HE1 MET 9 HE1 MET 9 -12.546 -3.891 0.013
58 HE2 MET 9 HE2 MET 9 -11.310 -4.436 1.170
59 HE3 MET 9 HE3 MET 9 -10.880 -4.183 -0.539
60 H GLU 10 H GLU 10 -7.986 -6.313 -3.659
61 HA GLU 10 HA GLU 10 -6.657 -5.891 -5.359
62 HB2 GLU 10 HB2 GLU 10 -8.490 -7.652 -6.975
63 HB3 GLU 10 HB3 GLU 10 -6.817 -7.183 -7.358
64 HG2 GLU 10 HG2 GLU 10 -6.043 -8.263 -5.256
65 HG3 GLU 10 HG3 GLU 10 -7.717 -8.755 -4.902
66 H GLN 11 H GLN 11 -8.569 -3.897 -4.730
67 HA GLN 11 HA GLN 11 -8.726 -2.603 -7.368
68 HB2 GLN 11 HB2 GLN 11 -10.653 -1.308 -6.565
69 HB3 GLN 11 HB3 GLN 11 -10.991 -3.043 -6.777
70 HG2 GLN 11 HG2 GLN 11 -10.780 -3.390 -4.361
71 HG3 GLN 11 HG3 GLN 11 -10.409 -1.664 -4.137
72 HE21 GLN 11 1HE2 GLN 11 -12.817 -3.847 -3.756
73 HE22 GLN 11 2HE2 GLN 11 -14.215 -2.836 -4.043
74 H GLU 12 H GLU 12 -6.509 -2.724 -5.362
75 HA GLU 12 HA GLU 12 -5.054 -1.428 -4.273
76 HB2 GLU 12 HB2 GLU 12 -5.881 0.543 -6.388
77 HB3 GLU 12 HB3 GLU 12 -4.440 0.654 -5.348
78 HG2 GLU 12 HG2 GLU 12 -3.667 -1.540 -6.229
79 HG3 GLU 12 HG3 GLU 12 -5.078 -1.582 -7.313
80 H ILE 13 H ILE 13 -6.964 -1.672 -2.534
81 HA ILE 13 HA ILE 13 -7.474 1.085 -1.619
82 HB ILE 13 HB ILE 13 -9.142 0.184 -0.115
83 HG12 ILE 13 2HG1 ILE 13 -8.439 -2.098 0.214
84 HG13 ILE 13 3HG1 ILE 13 -10.107 -2.017 -0.399
85 HG21 ILE 13 1HG2 ILE 13 -9.483 -0.464 -3.066
86 HG22 ILE 13 2HG2 ILE 13 -10.805 -0.205 -1.902
87 HG23 ILE 13 3HG2 ILE 13 -9.700 1.131 -2.305
88 HD11 ILE 13 3HD1 ILE 13 -9.323 -2.664 -2.622
89 HD12 ILE 13 1HD1 ILE 13 -7.654 -2.746 -2.008
90 HD13 ILE 13 2HD1 ILE 13 -8.889 -3.864 -1.381
91 H CYS 14 H CYS 14 -6.312 1.898 -0.198
92 HA CYS 14 HA CYS 14 -5.567 0.667 2.248
93 HB2 CYS 14 HB2 CYS 14 -3.298 1.365 0.371
94 HB3 CYS 14 HB3 CYS 14 -3.157 1.144 2.131
95 H ALA 15 H ALA 15 -4.007 2.434 3.399
96 HA ALA 15 HA ALA 15 -5.333 4.905 3.455
97 HB1 ALA 15 HB1 ALA 15 -2.493 4.216 4.343
98 HB2 ALA 15 HB2 ALA 15 -3.409 5.671 4.803
99 HB3 ALA 15 HB3 ALA 15 -3.952 4.066 5.349
100 H HIS 16 H HIS 16 -2.336 3.615 1.911
101 HA HIS 16 HA HIS 16 -1.903 6.062 0.378
102 HB2 HIS 16 HB2 HIS 16 -0.135 3.650 0.740
103 HB3 HIS 16 HB3 HIS 16 0.204 5.044 -0.311
104 HD1 HIS 16 HD1 HIS 16 0.634 7.318 0.921
105 HD2 HIS 16 HD2 HIS 16 0.222 3.999 3.461
106 HE1 HIS 16 HE1 HIS 16 1.466 8.041 3.253
107 H SER 17 H SER 17 -0.925 5.126 -1.995
108 HA SER 17 HA SER 17 -3.259 4.613 -3.435
109 HB2 SER 17 HB2 SER 17 -1.770 4.478 -5.358
110 HB3 SER 17 HB3 SER 17 -1.341 5.858 -4.320
111 HG SER 17 HG SER 17 0.482 4.629 -4.964
112 H MET 18 H MET 18 -0.741 2.143 -2.652
113 HA MET 18 HA MET 18 -2.179 0.299 -4.378
114 HB2 MET 18 HB2 MET 18 0.328 -0.130 -2.783
115 HB3 MET 18 HB3 MET 18 -0.404 -1.245 -3.961
116 HG2 MET 18 HG2 MET 18 0.523 1.575 -4.608
117 HG3 MET 18 HG3 MET 18 1.479 0.101 -4.894
118 HE1 MET 18 HE1 MET 18 -0.782 -1.960 -5.755
119 HE2 MET 18 HE2 MET 18 -0.687 -1.810 -7.526
120 HE3 MET 18 HE3 MET 18 0.803 -1.819 -6.552
121 H THR 19 H THR 19 -1.930 -2.102 -3.556
122 HA THR 19 HA THR 19 -4.278 -2.468 -1.991
123 HB THR 19 HB THR 19 -3.841 -4.846 -2.336
124 HG1 THR 19 HG1 THR 19 -2.040 -5.399 -3.618
125 HG21 THR 19 1HG2 THR 19 -3.497 -3.182 -4.856
126 HG22 THR 19 2HG2 THR 19 -4.047 -4.872 -4.785
127 HG23 THR 19 3HG2 THR 19 -5.043 -3.582 -4.071
128 H PHE 20 H PHE 20 -4.311 -4.203 -0.254
129 HA PHE 20 HA PHE 20 -2.824 -3.432 1.969
130 HB2 PHE 20 HB2 PHE 20 -4.375 -5.984 1.430
131 HB3 PHE 20 HB3 PHE 20 -3.629 -5.573 2.992
132 HD1 PHE 20 HD1 PHE 20 -4.205 -3.135 3.867
133 HD2 PHE 20 HD2 PHE 20 -6.597 -5.368 1.082
134 HE1 PHE 20 HE1 PHE 20 -6.170 -1.734 4.435
135 HE2 PHE 20 HE2 PHE 20 -8.568 -3.978 1.661
136 HZ PHE 20 HZ PHE 20 -8.353 -2.157 3.333
137 H GLU 21 H GLU 21 -2.390 -6.067 -0.426
138 HA GLU 21 HA GLU 21 -0.339 -7.503 0.791
139 HB2 GLU 21 HB2 GLU 21 -0.845 -6.989 -2.184
140 HB3 GLU 21 HB3 GLU 21 0.118 -8.318 -1.498
141 HG2 GLU 21 HG2 GLU 21 -1.895 -9.209 -0.395
142 HG3 GLU 21 HG3 GLU 21 -2.859 -7.880 -1.080
143 H GLU 22 H GLU 22 -0.395 -4.590 -1.334
144 HA GLU 22 HA GLU 22 2.503 -4.424 -1.439
145 HB2 GLU 22 HB2 GLU 22 0.314 -2.718 -2.708
146 HB3 GLU 22 HB3 GLU 22 2.058 -2.633 -3.055
147 HG2 GLU 22 HG2 GLU 22 0.308 -5.064 -3.554
148 HG3 GLU 22 HG3 GLU 22 0.771 -3.863 -4.784
149 H CYS 23 H CYS 23 0.424 -3.638 1.047
150 HA CYS 23 HA CYS 23 0.777 -0.909 1.472
151 HB2 CYS 23 HB2 CYS 23 0.354 -3.142 3.440
152 HB3 CYS 23 HB3 CYS 23 0.695 -1.476 3.961
153 HA PRO 24 HA PRO 24 4.740 -1.733 4.004
154 HB2 PRO 24 HB2 PRO 24 6.438 -3.718 3.252
155 HB3 PRO 24 HB3 PRO 24 5.255 -3.876 4.572
156 HG2 PRO 24 HG2 PRO 24 5.024 -4.796 1.674
157 HG3 PRO 24 HG3 PRO 24 4.541 -5.668 3.149
158 HD2 PRO 24 HD2 PRO 24 2.704 -4.326 1.635
159 HD3 PRO 24 HD3 PRO 24 2.565 -4.417 3.406
160 H LYS 25 H LYS 25 4.651 -2.560 0.530
161 HA LYS 25 HA LYS 25 7.065 -1.288 -0.202
162 HB2 LYS 25 HB2 LYS 25 4.576 -1.931 -1.807
163 HB3 LYS 25 HB3 LYS 25 6.136 -1.397 -2.475
164 HG2 LYS 25 HG2 LYS 25 7.250 -3.368 -1.503
165 HG3 LYS 25 HG3 LYS 25 5.714 -3.892 -0.774
166 HD2 LYS 25 HD2 LYS 25 4.701 -4.048 -3.035
167 HD3 LYS 25 HD3 LYS 25 6.248 -3.546 -3.757
168 HE2 LYS 25 HE2 LYS 25 7.353 -5.533 -2.828
169 HE3 LYS 25 HE3 LYS 25 5.839 -6.023 -2.030
170 HZ1 LYS 25 HZ1 LYS 25 6.248 -5.761 -4.921
171 HZ2 LYS 25 HZ2 LYS 25 6.174 -7.176 -4.078
172 HZ3 LYS 25 HZ3 LYS 25 4.842 -6.208 -4.184
173 H CYS 26 H CYS 26 3.653 -0.214 0.002
174 HA CYS 26 HA CYS 26 3.996 2.370 -1.041
175 HB2 CYS 26 HB2 CYS 26 1.952 1.142 0.850
176 HB3 CYS 26 HB3 CYS 26 1.892 2.853 0.365
177 HG CYS 26 HG CYS 26 0.208 1.464 -1.060
178 H SER 27 H SER 27 5.142 0.989 1.914
179 HA SER 27 HA SER 27 6.004 1.698 3.788
180 HB2 SER 27 HB2 SER 27 6.133 4.430 2.479
181 HB3 SER 27 HB3 SER 27 6.964 3.924 3.970
182 HG SER 27 HG SER 27 8.289 3.746 2.109
183 H ALA 28 H ALA 28 3.250 1.351 3.460
184 HA ALA 28 HA ALA 28 1.654 3.405 4.518
185 HB1 ALA 28 HB1 ALA 28 1.208 0.411 4.600
186 HB2 ALA 28 HB2 ALA 28 0.006 1.670 4.967
187 HB3 ALA 28 HB3 ALA 28 0.662 1.520 3.319
188 H LEU 29 H LEU 29 3.505 0.710 6.025
189 HA LEU 29 HA LEU 29 2.473 0.969 8.610
190 HB2 LEU 29 HB2 LEU 29 5.284 0.131 7.750
191 HB3 LEU 29 HB3 LEU 29 4.486 -0.255 9.293
192 HG LEU 29 HG LEU 29 3.539 -1.163 6.546
193 HD11 LEU 29 1HD1 LEU 29 4.912 -2.656 8.827
194 HD12 LEU 29 2HD1 LEU 29 4.303 -3.392 7.325
195 HD13 LEU 29 3HD1 LEU 29 5.655 -2.236 7.266
196 HD21 LEU 29 3HD2 LEU 29 2.585 -1.894 9.341
197 HD22 LEU 29 1HD2 LEU 29 1.698 -0.895 8.166
198 HD23 LEU 29 2HD2 LEU 29 2.007 -2.612 7.819
199 H GLN 30 H GLN 30 5.358 2.426 6.989
200 HA GLN 30 HA GLN 30 6.311 3.909 9.179
201 HB2 GLN 30 HB2 GLN 30 6.742 4.382 6.219
202 HB3 GLN 30 HB3 GLN 30 7.675 5.084 7.553
203 HG2 GLN 30 HG2 GLN 30 8.426 2.833 8.227
204 HG3 GLN 30 HG3 GLN 30 7.461 2.111 6.921
205 HE21 GLN 30 1HE2 GLN 30 10.133 4.428 7.572
206 HE22 GLN 30 2HE2 GLN 30 10.947 4.195 6.041
207 H TYR 31 H TYR 31 4.051 4.742 6.529
208 HA TYR 31 HA TYR 31 2.627 6.415 6.206
209 HB2 TYR 31 HB2 TYR 31 3.247 7.531 8.928
210 HB3 TYR 31 HB3 TYR 31 2.005 8.088 7.796
211 HD1 TYR 31 HD2 TYR 31 0.219 6.413 7.038
212 HD2 TYR 31 HD1 TYR 31 2.779 5.761 10.430
213 HE1 TYR 31 HE2 TYR 31 -1.371 4.717 7.902
214 HE2 TYR 31 HE1 TYR 31 1.196 4.066 11.307
215 HH TYR 31 HH TYR 31 -0.780 2.953 10.973
216 H ARG 32 H ARG 32 5.808 6.523 5.994
217 HA ARG 32 HA ARG 32 5.943 9.379 5.334
218 HB2 ARG 32 HB2 ARG 32 8.195 7.398 5.913
219 HB3 ARG 32 HB3 ARG 32 8.415 9.057 5.321
220 HG2 ARG 32 HG2 ARG 32 7.293 9.925 7.365
221 HG3 ARG 32 HG3 ARG 32 7.101 8.258 7.947
222 HD2 ARG 32 HD2 ARG 32 9.044 9.180 9.024
223 HD3 ARG 32 HD3 ARG 32 9.605 7.995 7.832
224 HE ARG 32 HE ARG 32 9.541 10.570 6.616
225 HH11 ARG 32 1HH1 ARG 32 11.309 8.763 9.104
226 HH12 ARG 32 2HH1 ARG 32 12.773 9.707 8.928
227 HH21 ARG 32 1HH2 ARG 32 11.480 11.805 6.407
228 HH22 ARG 32 2HH2 ARG 32 12.869 11.430 7.402
229 H ASN 33 H ASN 33 5.995 9.580 3.030
230 HA ASN 33 HA ASN 33 5.837 7.169 1.465
231 HB2 ASN 33 HB2 ASN 33 5.816 10.081 0.638
232 HB3 ASN 33 HB3 ASN 33 5.561 8.689 -0.437
233 HD21 ASN 33 1HD2 ASN 33 3.990 10.977 1.479
234 HD22 ASN 33 2HD2 ASN 33 2.464 10.153 1.704
235 H GLY 34 H GLY 34 7.293 6.098 0.470
236 HA2 GLY 34 HA2 GLY 34 10.022 6.581 0.667
237 HA3 GLY 34 HA3 GLY 34 9.206 5.399 -0.373
238 H PHE 35 H PHE 35 7.633 7.227 -1.923
239 HA PHE 35 HA PHE 35 9.536 8.032 -3.886
240 HB2 PHE 35 HB2 PHE 35 7.598 8.862 -5.138
241 HB3 PHE 35 HB3 PHE 35 7.522 7.150 -4.705
242 HD1 PHE 35 HD1 PHE 35 6.202 10.515 -3.843
243 HD2 PHE 35 HD2 PHE 35 5.777 6.273 -3.336
244 HE1 PHE 35 HE1 PHE 35 3.976 10.865 -2.798
245 HE2 PHE 35 HE2 PHE 35 3.557 6.618 -2.286
246 HZ PHE 35 HZ PHE 35 2.653 8.913 -2.021
247 H TYR 36 H TYR 36 9.888 10.055 -4.804
248 HA TYR 36 HA TYR 36 10.608 12.155 -4.733
249 HB2 TYR 36 HB2 TYR 36 8.281 12.867 -2.998
250 HB3 TYR 36 HB3 TYR 36 9.353 13.955 -3.890
251 HD1 TYR 36 HD2 TYR 36 9.623 12.974 -6.522
252 HD2 TYR 36 HD1 TYR 36 6.184 12.709 -3.952
253 HE1 TYR 36 HE2 TYR 36 8.162 12.755 -8.510
254 HE2 TYR 36 HE1 TYR 36 4.714 12.477 -5.932
255 HH TYR 36 HH TYR 36 4.602 12.385 -8.223
256 H LEU 37 H LEU 37 12.358 10.969 -3.619
257 HA LEU 37 HA LEU 37 12.778 11.106 -0.863
258 HB2 LEU 37 HB2 LEU 37 14.787 11.026 -3.126
259 HB3 LEU 37 HB3 LEU 37 15.198 10.906 -1.405
260 HG LEU 37 HG LEU 37 13.296 9.012 -2.850
261 HD11 LEU 37 1HD1 LEU 37 16.205 8.664 -2.004
262 HD12 LEU 37 2HD1 LEU 37 15.166 7.400 -2.705
263 HD13 LEU 37 3HD1 LEU 37 15.618 8.819 -3.677
264 HD21 LEU 37 3HD2 LEU 37 14.583 8.945 -0.080
265 HD22 LEU 37 1HD2 LEU 37 12.849 9.146 -0.430
266 HD23 LEU 37 2HD2 LEU 37 13.655 7.613 -0.806
267 H LEU 38 H LEU 38 13.659 13.487 -3.495
268 HA LEU 38 HA LEU 38 14.869 15.166 -1.454
269 HB2 LEU 38 HB2 LEU 38 14.394 15.853 -4.356
270 HB3 LEU 38 HB3 LEU 38 15.375 16.741 -3.177
271 HG LEU 38 HG LEU 38 15.900 13.923 -4.221
272 HD11 LEU 38 1HD1 LEU 38 17.367 16.566 -4.623
273 HD12 LEU 38 2HD1 LEU 38 17.869 14.985 -5.268
274 HD13 LEU 38 3HD1 LEU 38 16.362 15.738 -5.835
275 HD21 LEU 38 3HD2 LEU 38 17.469 15.644 -2.251
276 HD22 LEU 38 1HD2 LEU 38 16.648 14.103 -1.897
277 HD23 LEU 38 2HD2 LEU 38 18.054 14.129 -2.978
278 H LYS 39 H LYS 39 13.061 15.433 -0.062
279 HA LYS 39 HA LYS 39 10.747 16.808 -1.222
280 HB2 LYS 39 HB2 LYS 39 10.269 14.875 0.238
281 HB3 LYS 39 HB3 LYS 39 11.175 15.637 1.559
282 HG2 LYS 39 HG2 LYS 39 9.582 17.519 1.593
283 HG3 LYS 39 HG3 LYS 39 8.705 16.813 0.213
284 HD2 LYS 39 HD2 LYS 39 8.256 14.771 1.563
285 HD3 LYS 39 HD3 LYS 39 9.077 15.519 2.952
286 HE2 LYS 39 HE2 LYS 39 7.440 17.350 2.955
287 HE3 LYS 39 HE3 LYS 39 6.650 16.672 1.517
288 HZ1 LYS 39 HZ1 LYS 39 5.507 16.080 3.515
289 HZ2 LYS 39 HZ2 LYS 39 6.857 15.365 4.135
290 HZ3 LYS 39 HZ3 LYS 39 6.128 14.730 2.800
291 H TYR 40 H TYR 40 11.020 18.945 -1.281
292 HA TYR 40 HA TYR 40 13.054 20.334 0.139
293 HB2 TYR 40 HB2 TYR 40 10.813 21.407 -1.540
294 HB3 TYR 40 HB3 TYR 40 12.172 22.326 -0.873
295 HD1 TYR 40 HD1 TYR 40 11.260 19.580 -3.220
296 HD2 TYR 40 HD2 TYR 40 14.335 22.269 -1.880
297 HE1 TYR 40 HE1 TYR 40 12.672 18.913 -5.145
298 HE2 TYR 40 HE2 TYR 40 15.755 21.615 -3.802
299 HH TYR 40 HH TYR 40 14.680 19.187 -6.220
300 H ASP 41 H ASP 41 9.573 19.909 0.742
301 HA ASP 41 HA ASP 41 9.298 21.913 2.662
302 HB2 ASP 41 HB2 ASP 41 7.878 19.224 2.510
303 HB3 ASP 41 HB3 ASP 41 7.355 20.634 3.455
304 H GLU 42 H GLU 42 10.294 18.399 3.066
305 HA GLU 42 HA GLU 42 10.713 19.016 5.909
306 HB2 GLU 42 HB2 GLU 42 10.905 16.342 4.564
307 HB3 GLU 42 HB3 GLU 42 11.277 16.695 6.261
308 HG2 GLU 42 HG2 GLU 42 8.953 17.491 6.596
309 HG3 GLU 42 HG3 GLU 42 8.584 17.094 4.904
310 H GLU 43 H GLU 43 12.693 18.736 6.966
311 HA GLU 43 HA GLU 43 14.946 19.231 5.162
312 HB2 GLU 43 HB2 GLU 43 14.727 19.629 8.158
313 HB3 GLU 43 HB3 GLU 43 16.158 19.956 7.153
314 HG2 GLU 43 HG2 GLU 43 14.849 21.580 5.817
315 HG3 GLU 43 HG3 GLU 43 13.425 21.263 6.825
316 H TRP 44 H TRP 44 16.548 17.901 4.897
317 HA TRP 44 HA TRP 44 17.779 16.071 4.797
318 HB2 TRP 44 HB2 TRP 44 17.452 16.005 7.807
319 HB3 TRP 44 HB3 TRP 44 18.701 15.196 6.857
320 HD1 TRP 44 HD1 TRP 44 17.738 18.563 8.287
321 HE1 TRP 44 HE1 TRP 44 19.657 20.221 8.020
322 HE3 TRP 44 HE3 TRP 44 20.773 15.780 5.267
323 HZ2 TRP 44 HZ2 TRP 44 22.214 20.330 6.653
324 HZ3 TRP 44 HZ3 TRP 44 22.938 16.684 4.492
325 HH2 TRP 44 HH2 TRP 44 23.670 18.954 5.180
326 H TYR 45 H TYR 45 15.013 15.668 4.225
327 HA TYR 45 HA TYR 45 13.939 13.418 5.514
328 HB2 TYR 45 HB2 TYR 45 12.729 15.121 4.131
329 HB3 TYR 45 HB3 TYR 45 13.466 14.433 2.687
330 HD1 TYR 45 HD1 TYR 45 11.262 13.639 5.585
331 HD2 TYR 45 HD2 TYR 45 12.457 12.588 1.594
332 HE1 TYR 45 HE1 TYR 45 9.355 12.062 5.439
333 HE2 TYR 45 HE2 TYR 45 10.553 11.009 1.430
334 HH TYR 45 HH TYR 45 8.721 10.112 2.496
335 HA PRO 46 HA PRO 46 15.819 10.635 2.161
336 HB2 PRO 46 HB2 PRO 46 18.133 11.363 0.856
337 HB3 PRO 46 HB3 PRO 46 16.474 11.607 0.206
338 HG2 PRO 46 HG2 PRO 46 18.234 13.589 1.645
339 HG3 PRO 46 HG3 PRO 46 17.234 13.854 0.186
340 HD2 PRO 46 HD2 PRO 46 16.423 14.610 2.682
341 HD3 PRO 46 HD3 PRO 46 15.256 14.009 1.464
342 H GLU 47 H GLU 47 18.059 12.748 3.989
343 HA GLU 47 HA GLU 47 19.918 10.727 4.597
344 HB2 GLU 47 HB2 GLU 47 19.347 13.369 5.916
345 HB3 GLU 47 HB3 GLU 47 20.595 12.229 6.426
346 HG2 GLU 47 HG2 GLU 47 21.739 13.722 5.048
347 HG3 GLU 47 HG3 GLU 47 21.499 12.287 4.044
348 H GLU 48 H GLU 48 16.947 11.813 6.337
349 HA GLU 48 HA GLU 48 17.398 10.149 8.559
350 HB2 GLU 48 HB2 GLU 48 14.825 11.219 7.409
351 HB3 GLU 48 HB3 GLU 48 14.942 10.286 8.914
352 HG2 GLU 48 HG2 GLU 48 16.411 11.955 9.903
353 HG3 GLU 48 HG3 GLU 48 16.461 12.868 8.389
354 H LEU 49 H LEU 49 15.687 9.561 5.421
355 HA LEU 49 HA LEU 49 14.760 6.985 6.117
356 HB2 LEU 49 HB2 LEU 49 15.317 8.188 3.399
357 HB3 LEU 49 HB3 LEU 49 14.491 6.646 3.686
358 HG LEU 49 HG LEU 49 13.528 9.333 4.758
359 HD11 LEU 49 1HD1 LEU 49 12.596 7.692 2.364
360 HD12 LEU 49 2HD1 LEU 49 11.805 9.159 2.988
361 HD13 LEU 49 3HD1 LEU 49 13.440 9.256 2.296
362 HD21 LEU 49 3HD2 LEU 49 12.219 6.580 4.614
363 HD22 LEU 49 1HD2 LEU 49 12.748 7.415 6.095
364 HD23 LEU 49 2HD2 LEU 49 11.413 8.078 5.137
365 H LEU 50 H LEU 50 17.812 8.049 4.493
366 HA LEU 50 HA LEU 50 18.646 5.403 3.903
367 HB2 LEU 50 HB2 LEU 50 20.182 8.007 4.063
368 HB3 LEU 50 HB3 LEU 50 20.862 6.471 3.497
369 HG LEU 50 HG LEU 50 18.408 7.775 2.248
370 HD11 LEU 50 1HD1 LEU 50 21.331 7.860 1.390
371 HD12 LEU 50 2HD1 LEU 50 19.953 8.498 0.459
372 HD13 LEU 50 3HD1 LEU 50 20.388 9.232 2.018
373 HD21 LEU 50 3HD2 LEU 50 20.283 5.556 1.327
374 HD22 LEU 50 1HD2 LEU 50 18.592 5.354 1.845
375 HD23 LEU 50 2HD2 LEU 50 18.963 6.256 0.363
376 H THR 51 H THR 51 19.635 3.920 4.961
377 HA THR 51 HA THR 51 20.159 4.083 7.731
378 HB THR 51 HB THR 51 21.017 2.060 5.646
379 HG1 THR 51 HG1 THR 51 18.756 2.377 5.842
380 HG21 THR 51 1HG2 THR 51 20.817 1.910 8.686
381 HG22 THR 51 2HG2 THR 51 21.167 0.541 7.605
382 HG23 THR 51 3HG2 THR 51 22.320 1.886 7.733
383 H ASP 52 H ASP 52 22.286 4.166 4.794
384 HA ASP 52 HA ASP 52 24.511 4.979 6.548
385 HB2 ASP 52 HB2 ASP 52 24.976 2.836 5.402
386 HB3 ASP 52 HB3 ASP 52 24.605 3.586 3.836
387 H GLY 53 H GLY 53 25.300 7.020 6.136
388 HA2 GLY 53 HA2 GLY 53 24.061 8.479 3.925
389 HA3 GLY 53 HA3 GLY 53 24.719 9.157 5.408
390 H GLU 54 H GLU 54 26.928 6.791 4.035
391 HA GLU 54 HA GLU 54 28.873 8.780 3.637
392 HB2 GLU 54 HB2 GLU 54 29.408 6.420 4.128
393 HB3 GLU 54 HB3 GLU 54 28.827 5.965 2.511
394 HG2 GLU 54 HG2 GLU 54 30.531 7.421 1.476
395 HG3 GLU 54 HG3 GLU 54 31.079 7.938 3.083
396 H ASP 55 H ASP 55 26.821 7.088 1.146
397 HA ASP 55 HA ASP 55 28.118 8.287 -1.047
398 HB2 ASP 55 HB2 ASP 55 25.206 7.404 -0.817
399 HB3 ASP 55 HB3 ASP 55 26.109 7.679 -2.320
400 H ASP 56 H ASP 56 25.098 9.198 0.766
401 HA ASP 56 HA ASP 56 25.060 11.732 -0.693
402 HB2 ASP 56 HB2 ASP 56 22.964 10.568 1.127
403 HB3 ASP 56 HB3 ASP 56 22.873 12.102 0.237
404 H VAL 57 H VAL 57 27.231 12.174 0.473
405 HA VAL 57 HA VAL 57 26.395 13.940 2.660
406 HB VAL 57 HB VAL 57 27.342 11.876 3.724
407 HG11 VAL 57 1HG1 VAL 57 29.976 13.039 2.746
408 HG12 VAL 57 2HG1 VAL 57 29.735 11.577 3.724
409 HG13 VAL 57 3HG1 VAL 57 29.211 11.617 2.022
410 HG21 VAL 57 3HG2 VAL 57 28.759 14.514 4.230
411 HG22 VAL 57 1HG2 VAL 57 27.139 14.080 4.825
412 HG23 VAL 57 2HG2 VAL 57 28.564 13.170 5.373
413 H PHE 58 H PHE 58 27.816 15.731 2.868
414 HA PHE 58 HA PHE 58 28.878 16.703 0.421
415 HB2 PHE 58 HB2 PHE 58 29.067 17.739 3.290
416 HB3 PHE 58 HB3 PHE 58 29.605 18.622 1.853
417 HD1 PHE 58 HD1 PHE 58 26.597 17.147 3.501
418 HD2 PHE 58 HD2 PHE 58 28.095 19.873 0.532
419 HE1 PHE 58 HE1 PHE 58 24.308 18.040 3.162
420 HE2 PHE 58 HE2 PHE 58 25.807 20.773 0.204
421 HZ PHE 58 HZ PHE 58 23.913 19.855 1.518
422 H ASP 59 H ASP 59 31.227 17.077 0.071
423 HA ASP 59 HA ASP 59 32.890 14.998 0.970
424 HB2 ASP 59 HB2 ASP 59 33.775 17.568 -0.317
425 HB3 ASP 59 HB3 ASP 59 34.683 16.049 -0.181
426 HA PRO 60 HA PRO 60 35.272 17.846 3.875
427 HB2 PRO 60 HB2 PRO 60 33.936 19.775 5.310
428 HB3 PRO 60 HB3 PRO 60 34.793 20.085 3.759
429 HG2 PRO 60 HG2 PRO 60 31.848 19.524 4.189
430 HG3 PRO 60 HG3 PRO 60 32.590 20.823 3.198
431 HD2 PRO 60 HD2 PRO 60 31.692 18.515 2.089
432 HD3 PRO 60 HD3 PRO 60 33.200 19.279 1.497
433 H ASP 61 H ASP 61 31.945 16.716 4.587
434 HA ASP 61 HA ASP 61 33.026 15.961 7.232
435 HB2 ASP 61 HB2 ASP 61 30.107 16.212 6.409
436 HB3 ASP 61 HB3 ASP 61 30.717 15.716 8.001
437 H LEU 62 H LEU 62 33.436 13.830 7.535
438 HA LEU 62 HA LEU 62 32.037 11.963 5.727
439 HB2 LEU 62 HB2 LEU 62 34.751 11.559 6.988
440 HB3 LEU 62 HB3 LEU 62 33.855 10.390 5.996
441 HG LEU 62 HG LEU 62 34.785 13.150 5.074
442 HD11 LEU 62 1HD1 LEU 62 35.822 10.356 4.437
443 HD12 LEU 62 2HD1 LEU 62 36.383 11.868 3.685
444 HD13 LEU 62 3HD1 LEU 62 36.652 11.587 5.419
445 HD21 LEU 62 3HD2 LEU 62 33.479 10.845 3.561
446 HD22 LEU 62 1HD2 LEU 62 32.758 12.443 3.874
447 HD23 LEU 62 2HD2 LEU 62 34.169 12.303 2.811
448 H ASP 63 H ASP 63 30.537 10.877 6.679
449 HA ASP 63 HA ASP 63 29.899 10.974 9.381
450 HB2 ASP 63 HB2 ASP 63 29.028 9.091 7.166
451 HB3 ASP 63 HB3 ASP 63 28.384 9.027 8.806
452 H MET 64 H MET 64 31.602 8.412 7.494
453 HA MET 64 HA MET 64 31.598 6.502 9.559
454 HB2 MET 64 HB2 MET 64 33.582 6.859 7.291
455 HB3 MET 64 HB3 MET 64 33.425 5.431 8.340
456 HG2 MET 64 HG2 MET 64 31.082 5.149 7.594
457 HG3 MET 64 HG3 MET 64 31.240 6.569 6.555
458 HE1 MET 64 HE1 MET 64 32.291 2.886 7.231
459 HE2 MET 64 HE2 MET 64 33.431 2.542 5.909
460 HE3 MET 64 HE3 MET 64 33.887 3.674 7.201
461 H GLU 65 H GLU 65 33.998 9.067 8.696
462 HA GLU 65 HA GLU 65 35.908 8.262 10.602
463 HB2 GLU 65 HB2 GLU 65 35.500 11.000 9.384
464 HB3 GLU 65 HB3 GLU 65 36.920 10.438 10.294
465 HG2 GLU 65 HG2 GLU 65 37.252 8.630 8.606
466 HG3 GLU 65 HG3 GLU 65 35.891 9.279 7.671
467 H VAL 66 H VAL 66 33.205 10.686 10.884
468 HA VAL 66 HA VAL 66 34.151 11.018 13.666
469 HB VAL 66 HB VAL 66 32.341 12.809 12.027
470 HG11 VAL 66 1HG1 VAL 66 33.610 13.123 14.782
471 HG12 VAL 66 2HG1 VAL 66 32.714 14.390 13.909
472 HG13 VAL 66 3HG1 VAL 66 31.877 12.917 14.439
473 HG21 VAL 66 3HG2 VAL 66 35.264 13.081 12.850
474 HG22 VAL 66 1HG2 VAL 66 34.660 12.831 11.194
475 HG23 VAL 66 2HG2 VAL 66 34.294 14.342 12.052
476 H VAL 67 H VAL 67 33.053 10.178 15.252
477 HA VAL 67 HA VAL 67 30.730 8.606 14.947
478 HB VAL 67 HB VAL 67 32.075 9.713 17.425
479 HG11 VAL 67 1HG1 VAL 67 30.054 7.465 17.025
480 HG12 VAL 67 2HG1 VAL 67 30.892 7.837 18.549
481 HG13 VAL 67 3HG1 VAL 67 29.754 9.010 17.855
482 HG21 VAL 67 3HG2 VAL 67 32.324 7.040 15.978
483 HG22 VAL 67 1HG2 VAL 67 33.573 8.304 16.059
484 HG23 VAL 67 2HG2 VAL 67 33.081 7.448 17.535
485 H PHE 68 H PHE 68 31.351 11.968 16.120
486 HA PHE 68 HA PHE 68 28.701 12.457 17.009
487 HB2 PHE 68 HB2 PHE 68 30.856 14.423 16.159
488 HB3 PHE 68 HB3 PHE 68 29.339 14.831 16.973
489 HD1 PHE 68 HD1 PHE 68 32.673 13.308 17.363
490 HD2 PHE 68 HD2 PHE 68 28.981 14.297 19.331
491 HE1 PHE 68 HE1 PHE 68 33.741 12.911 19.567
492 HE2 PHE 68 HE2 PHE 68 30.049 13.901 21.534
493 HZ PHE 68 HZ PHE 68 32.429 13.207 21.653
494 H GLU 69 H GLU 69 27.007 13.440 16.052
495 HA GLU 69 HA GLU 69 25.532 13.921 14.463
496 HB2 GLU 69 HB2 GLU 69 27.778 15.519 13.239
497 HB3 GLU 69 HB3 GLU 69 26.037 15.683 12.918
498 HG2 GLU 69 HG2 GLU 69 25.653 16.228 15.306
499 HG3 GLU 69 HG3 GLU 69 27.397 16.098 15.612
500 H THR 70 H THR 70 26.500 11.324 14.064
501 HA THR 70 HA THR 70 27.141 11.063 11.265
502 HB THR 70 HB THR 70 26.315 9.017 13.316
503 HG1 THR 70 HG1 THR 70 28.369 10.007 13.570
504 HG21 THR 70 1HG2 THR 70 27.271 8.736 10.442
505 HG22 THR 70 2HG2 THR 70 27.119 7.394 11.599
506 HG23 THR 70 3HG2 THR 70 25.672 8.280 11.068
507 H GLN 71 H GLN 71 25.650 10.945 9.640
508 HA GLN 71 HA GLN 71 22.908 11.553 10.218
509 HB2 GLN 71 HB2 GLN 71 24.086 10.739 7.546
510 HB3 GLN 71 HB3 GLN 71 22.575 11.610 7.842
511 HG2 GLN 71 HG2 GLN 71 23.853 13.559 8.651
512 HG3 GLN 71 HG3 GLN 71 25.373 12.669 8.424
513 HE21 GLN 71 1HE2 GLN 71 25.466 11.575 6.074
514 HE22 GLN 71 2HE2 GLN 71 25.104 12.675 4.764
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 -13.718 -9.235 2.930
2 H2 GLY 1 H2 GLY 1 -14.608 -10.477 2.198
3 H3 GLY 1 H3 GLY 1 -12.928 -10.588 2.282
4 HA2 GLY 1 HA3 GLY 1 -14.551 -8.718 0.651
5 HA3 GLY 1 HA2 GLY 1 -12.793 -8.550 0.870
6 H SER 2 H SER 2 -11.924 -9.122 -1.077
7 HA SER 2 HA SER 2 -12.989 -11.336 -2.583
8 HB2 SER 2 HB2 SER 2 -12.053 -9.285 -3.693
9 HB3 SER 2 HB3 SER 2 -10.447 -9.754 -3.087
10 HG SER 2 HG SER 2 -10.864 -10.525 -5.202
11 H THR 3 H THR 3 -11.336 -13.057 -3.361
12 HA THR 3 HA THR 3 -10.155 -14.251 -0.997
13 HB THR 3 HB THR 3 -10.281 -15.282 -3.828
14 HG1 THR 3 HG1 THR 3 -12.327 -14.966 -2.828
15 HG21 THR 3 1HG2 THR 3 -9.708 -16.628 -1.154
16 HG22 THR 3 2HG2 THR 3 -9.833 -17.447 -2.729
17 HG23 THR 3 3HG2 THR 3 -8.511 -16.296 -2.427
18 H ALA 4 H ALA 4 -8.724 -12.381 -0.799
19 HA ALA 4 HA ALA 4 -6.219 -12.755 -2.238
20 HB1 ALA 4 HB1 ALA 4 -7.518 -10.047 -1.695
21 HB2 ALA 4 HB2 ALA 4 -5.876 -10.315 -2.324
22 HB3 ALA 4 HB3 ALA 4 -7.289 -10.777 -3.301
23 H MET 5 H MET 5 -4.439 -11.898 -0.852
24 HA MET 5 HA MET 5 -4.784 -12.542 1.868
25 HB2 MET 5 HB2 MET 5 -2.527 -11.825 2.216
26 HB3 MET 5 HB3 MET 5 -2.607 -12.753 0.700
27 HG2 MET 5 HG2 MET 5 -2.765 -10.608 -0.569
28 HG3 MET 5 HG3 MET 5 -2.595 -9.715 0.960
29 HE1 MET 5 HE1 MET 5 -0.956 -11.670 -1.895
30 HE2 MET 5 HE2 MET 5 0.646 -12.105 -1.253
31 HE3 MET 5 HE3 MET 5 -0.817 -12.878 -0.596
32 H ALA 6 H ALA 6 -4.978 -11.416 3.666
33 HA ALA 6 HA ALA 6 -5.753 -9.867 5.055
34 HB1 ALA 6 HB1 ALA 6 -4.158 -7.984 3.299
35 HB2 ALA 6 HB2 ALA 6 -4.798 -7.624 4.920
36 HB3 ALA 6 HB3 ALA 6 -3.558 -8.883 4.714
37 H THR 7 H THR 7 -7.536 -10.616 2.911
38 HA THR 7 HA THR 7 -9.442 -10.066 1.904
39 HB THR 7 HB THR 7 -11.096 -8.957 3.168
40 HG1 THR 7 HG1 THR 7 -9.748 -7.373 4.122
41 HG21 THR 7 1HG2 THR 7 -9.323 -10.824 4.797
42 HG22 THR 7 2HG2 THR 7 -11.048 -10.500 5.096
43 HG23 THR 7 3HG2 THR 7 -10.543 -11.325 3.602
44 H THR 8 H THR 8 -7.520 -8.841 0.515
45 HA THR 8 HA THR 8 -8.029 -6.042 0.262
46 HB THR 8 HB THR 8 -6.769 -7.912 -1.742
47 HG1 THR 8 HG1 THR 8 -5.765 -7.941 0.320
48 HG21 THR 8 1HG2 THR 8 -6.525 -4.918 -1.320
49 HG22 THR 8 2HG2 THR 8 -5.625 -5.889 -2.510
50 HG23 THR 8 3HG2 THR 8 -7.391 -5.719 -2.653
51 H MET 9 H MET 9 -9.543 -5.006 -0.903
52 HA MET 9 HA MET 9 -11.617 -6.540 -2.249
53 HB2 MET 9 HB2 MET 9 -11.354 -3.700 -1.243
54 HB3 MET 9 HB3 MET 9 -12.582 -4.121 -2.460
55 HG2 MET 9 HG2 MET 9 -13.590 -4.245 -0.271
56 HG3 MET 9 HG3 MET 9 -13.423 -5.898 -0.905
57 HE1 MET 9 HE1 MET 9 -12.247 -3.231 1.669
58 HE2 MET 9 HE2 MET 9 -10.881 -4.046 2.463
59 HE3 MET 9 HE3 MET 9 -10.743 -3.529 0.766
60 H GLU 10 H GLU 10 -8.674 -5.267 -3.152
61 HA GLU 10 HA GLU 10 -7.639 -4.642 -4.988
62 HB2 GLU 10 HB2 GLU 10 -9.893 -5.976 -6.478
63 HB3 GLU 10 HB3 GLU 10 -8.278 -5.555 -7.098
64 HG2 GLU 10 HG2 GLU 10 -7.246 -7.030 -5.382
65 HG3 GLU 10 HG3 GLU 10 -8.867 -7.468 -4.794
66 H GLN 11 H GLN 11 -9.207 -2.669 -3.694
67 HA GLN 11 HA GLN 11 -9.713 -0.930 -6.014
68 HB2 GLN 11 HB2 GLN 11 -11.332 0.326 -4.658
69 HB3 GLN 11 HB3 GLN 11 -11.866 -1.321 -5.073
70 HG2 GLN 11 HG2 GLN 11 -11.258 -2.094 -2.829
71 HG3 GLN 11 HG3 GLN 11 -10.690 -0.460 -2.411
72 HE21 GLN 11 1HE2 GLN 11 -13.187 -2.518 -1.922
73 HE22 GLN 11 2HE2 GLN 11 -14.511 -1.385 -1.770
74 H GLU 12 H GLU 12 -7.193 -1.538 -4.520
75 HA GLU 12 HA GLU 12 -5.449 -0.546 -3.541
76 HB2 GLU 12 HB2 GLU 12 -6.451 1.810 -5.117
77 HB3 GLU 12 HB3 GLU 12 -4.843 1.648 -4.371
78 HG2 GLU 12 HG2 GLU 12 -4.454 -0.405 -5.721
79 HG3 GLU 12 HG3 GLU 12 -6.035 -0.168 -6.504
80 H ILE 13 H ILE 13 -7.029 -0.965 -1.526
81 HA ILE 13 HA ILE 13 -7.102 1.618 -0.106
82 HB ILE 13 HB ILE 13 -8.549 0.579 1.531
83 HG12 ILE 13 2HG1 ILE 13 -8.019 -1.766 1.352
84 HG13 ILE 13 3HG1 ILE 13 -9.755 -1.473 1.094
85 HG21 ILE 13 1HG2 ILE 13 -9.476 0.475 -1.363
86 HG22 ILE 13 2HG2 ILE 13 -10.536 0.613 0.060
87 HG23 ILE 13 3HG2 ILE 13 -9.400 1.924 -0.332
88 HD11 ILE 13 3HD1 ILE 13 -9.449 -1.775 -1.312
89 HD12 ILE 13 1HD1 ILE 13 -7.713 -2.068 -1.053
90 HD13 ILE 13 2HD1 ILE 13 -8.915 -3.196 -0.384
91 H CYS 14 H CYS 14 -5.631 2.097 1.174
92 HA CYS 14 HA CYS 14 -4.579 0.416 3.205
93 HB2 CYS 14 HB2 CYS 14 -2.628 1.283 1.058
94 HB3 CYS 14 HB3 CYS 14 -2.195 0.752 2.700
95 H ALA 15 H ALA 15 -2.676 1.854 4.296
96 HA ALA 15 HA ALA 15 -3.728 4.357 4.998
97 HB1 ALA 15 HB1 ALA 15 -0.853 3.345 5.199
98 HB2 ALA 15 HB2 ALA 15 -1.529 4.753 6.052
99 HB3 ALA 15 HB3 ALA 15 -2.115 3.116 6.432
100 H HIS 16 H HIS 16 -1.195 3.166 2.719
101 HA HIS 16 HA HIS 16 -0.814 5.808 1.539
102 HB2 HIS 16 HB2 HIS 16 0.752 3.262 1.165
103 HB3 HIS 16 HB3 HIS 16 1.028 4.794 0.302
104 HD1 HIS 16 HD1 HIS 16 1.888 6.787 1.772
105 HD2 HIS 16 HD2 HIS 16 1.625 3.111 3.786
106 HE1 HIS 16 HE1 HIS 16 3.191 7.040 3.983
107 H SER 17 H SER 17 -0.372 5.237 -1.096
108 HA SER 17 HA SER 17 -2.966 5.132 -2.120
109 HB2 SER 17 HB2 SER 17 -1.867 5.237 -4.293
110 HB3 SER 17 HB3 SER 17 -1.128 6.387 -3.152
111 HG SER 17 HG SER 17 0.424 5.174 -4.322
112 H MET 18 H MET 18 -0.595 2.408 -2.240
113 HA MET 18 HA MET 18 -2.489 0.986 -3.926
114 HB2 MET 18 HB2 MET 18 0.212 0.129 -2.934
115 HB3 MET 18 HB3 MET 18 -0.823 -0.716 -4.109
116 HG2 MET 18 HG2 MET 18 0.237 2.108 -4.468
117 HG3 MET 18 HG3 MET 18 0.981 0.648 -5.164
118 HE1 MET 18 HE1 MET 18 -1.584 -1.084 -5.886
119 HE2 MET 18 HE2 MET 18 -1.795 -0.636 -7.595
120 HE3 MET 18 HE3 MET 18 -0.162 -0.908 -6.942
121 H THR 19 H THR 19 -2.325 -1.531 -3.557
122 HA THR 19 HA THR 19 -4.378 -2.012 -1.645
123 HB THR 19 HB THR 19 -4.239 -4.318 -2.440
124 HG1 THR 19 HG1 THR 19 -2.759 -4.754 -4.118
125 HG21 THR 19 1HG2 THR 19 -4.196 -2.268 -4.684
126 HG22 THR 19 2HG2 THR 19 -4.883 -3.906 -4.776
127 HG23 THR 19 3HG2 THR 19 -5.607 -2.699 -3.688
128 H PHE 20 H PHE 20 -4.263 -4.016 -0.232
129 HA PHE 20 HA PHE 20 -2.333 -3.739 1.755
130 HB2 PHE 20 HB2 PHE 20 -4.192 -6.055 1.129
131 HB3 PHE 20 HB3 PHE 20 -3.141 -5.969 2.563
132 HD1 PHE 20 HD1 PHE 20 -3.316 -3.688 3.907
133 HD2 PHE 20 HD2 PHE 20 -6.371 -5.248 1.320
134 HE1 PHE 20 HE1 PHE 20 -5.004 -2.284 5.058
135 HE2 PHE 20 HE2 PHE 20 -8.064 -3.857 2.481
136 HZ PHE 20 HZ PHE 20 -7.380 -2.370 4.346
137 H GLU 21 H GLU 21 -2.590 -5.941 -1.065
138 HA GLU 21 HA GLU 21 -0.500 -7.694 -0.510
139 HB2 GLU 21 HB2 GLU 21 -1.483 -6.642 -3.212
140 HB3 GLU 21 HB3 GLU 21 -0.542 -8.128 -2.944
141 HG2 GLU 21 HG2 GLU 21 -2.400 -9.066 -1.627
142 HG3 GLU 21 HG3 GLU 21 -3.340 -7.580 -1.895
143 H GLU 22 H GLU 22 -0.660 -4.460 -2.096
144 HA GLU 22 HA GLU 22 2.174 -4.463 -2.732
145 HB2 GLU 22 HB2 GLU 22 -0.035 -2.427 -3.267
146 HB3 GLU 22 HB3 GLU 22 1.618 -2.395 -3.928
147 HG2 GLU 22 HG2 GLU 22 -0.416 -4.585 -4.457
148 HG3 GLU 22 HG3 GLU 22 -0.070 -3.222 -5.547
149 H CYS 23 H CYS 23 0.661 -3.989 0.201
150 HA CYS 23 HA CYS 23 1.343 -1.403 0.977
151 HB2 CYS 23 HB2 CYS 23 1.070 -3.912 2.611
152 HB3 CYS 23 HB3 CYS 23 1.657 -2.386 3.313
153 HA PRO 24 HA PRO 24 5.600 -2.904 2.531
154 HB2 PRO 24 HB2 PRO 24 6.938 -4.833 1.161
155 HB3 PRO 24 HB3 PRO 24 6.003 -5.142 2.643
156 HG2 PRO 24 HG2 PRO 24 5.167 -5.529 -0.265
157 HG3 PRO 24 HG3 PRO 24 4.877 -6.610 1.119
158 HD2 PRO 24 HD2 PRO 24 2.934 -4.912 0.221
159 HD3 PRO 24 HD3 PRO 24 3.107 -5.299 1.949
160 H LYS 25 H LYS 25 4.809 -3.109 -0.946
161 HA LYS 25 HA LYS 25 7.162 -1.886 -1.920
162 HB2 LYS 25 HB2 LYS 25 4.376 -2.081 -3.095
163 HB3 LYS 25 HB3 LYS 25 5.833 -1.540 -3.959
164 HG2 LYS 25 HG2 LYS 25 6.911 -3.716 -3.545
165 HG3 LYS 25 HG3 LYS 25 5.489 -4.260 -2.625
166 HD2 LYS 25 HD2 LYS 25 4.075 -3.957 -4.643
167 HD3 LYS 25 HD3 LYS 25 5.507 -3.437 -5.562
168 HE2 LYS 25 HE2 LYS 25 6.567 -5.622 -5.191
169 HE3 LYS 25 HE3 LYS 25 5.181 -6.144 -4.203
170 HZ1 LYS 25 HZ1 LYS 25 5.087 -5.413 -7.039
171 HZ2 LYS 25 HZ2 LYS 25 5.032 -6.944 -6.432
172 HZ3 LYS 25 HZ3 LYS 25 3.800 -5.890 -6.125
173 H CYS 26 H CYS 26 3.961 -0.648 -0.893
174 HA CYS 26 HA CYS 26 4.355 2.050 -1.560
175 HB2 CYS 26 HB2 CYS 26 2.577 0.645 0.471
176 HB3 CYS 26 HB3 CYS 26 2.594 2.415 0.284
177 HG CYS 26 HG CYS 26 0.557 1.405 -0.990
178 H SER 27 H SER 27 5.877 0.108 0.861
179 HA SER 27 HA SER 27 7.126 0.425 2.621
180 HB2 SER 27 HB2 SER 27 7.277 3.328 1.761
181 HB3 SER 27 HB3 SER 27 8.310 2.520 2.963
182 HG SER 27 HG SER 27 9.256 2.583 0.877
183 H ALA 28 H ALA 28 4.337 0.316 2.781
184 HA ALA 28 HA ALA 28 3.160 2.254 4.439
185 HB1 ALA 28 HB1 ALA 28 2.453 -0.675 4.131
186 HB2 ALA 28 HB2 ALA 28 1.462 0.575 4.918
187 HB3 ALA 28 HB3 ALA 28 1.795 0.671 3.172
188 H LEU 29 H LEU 29 4.988 -0.775 5.113
189 HA LEU 29 HA LEU 29 4.467 -0.902 7.858
190 HB2 LEU 29 HB2 LEU 29 6.984 -1.756 6.348
191 HB3 LEU 29 HB3 LEU 29 6.444 -2.352 7.935
192 HG LEU 29 HG LEU 29 4.936 -2.708 5.315
193 HD11 LEU 29 1HD1 LEU 29 6.548 -4.658 7.022
194 HD12 LEU 29 2HD1 LEU 29 5.612 -5.082 5.570
195 HD13 LEU 29 3HD1 LEU 29 7.035 -4.022 5.433
196 HD21 LEU 29 3HD2 LEU 29 4.435 -3.850 8.091
197 HD22 LEU 29 1HD2 LEU 29 3.451 -2.608 7.283
198 HD23 LEU 29 2HD2 LEU 29 3.527 -4.255 6.614
199 H GLN 30 H GLN 30 7.125 0.698 5.964
200 HA GLN 30 HA GLN 30 8.502 1.706 8.218
201 HB2 GLN 30 HB2 GLN 30 8.601 2.634 5.348
202 HB3 GLN 30 HB3 GLN 30 9.717 3.079 6.655
203 HG2 GLN 30 HG2 GLN 30 10.299 0.667 6.936
204 HG3 GLN 30 HG3 GLN 30 9.263 0.278 5.548
205 HE21 GLN 30 1HE2 GLN 30 12.001 -0.367 5.574
206 HE22 GLN 30 2HE2 GLN 30 12.835 0.625 4.398
207 H TYR 31 H TYR 31 5.877 3.012 6.187
208 HA TYR 31 HA TYR 31 4.577 4.816 6.349
209 HB2 TYR 31 HB2 TYR 31 5.419 5.016 9.207
210 HB3 TYR 31 HB3 TYR 31 4.349 6.167 8.389
211 HD1 TYR 31 HD2 TYR 31 2.332 5.244 7.109
212 HD2 TYR 31 HD1 TYR 31 4.481 3.002 10.081
213 HE1 TYR 31 HE2 TYR 31 0.386 3.730 7.358
214 HE2 TYR 31 HE1 TYR 31 2.539 1.482 10.345
215 HH TYR 31 HH TYR 31 0.406 0.975 9.656
216 H ARG 32 H ARG 32 7.342 4.831 5.358
217 HA ARG 32 HA ARG 32 7.790 7.726 5.431
218 HB2 ARG 32 HB2 ARG 32 9.796 5.451 5.026
219 HB3 ARG 32 HB3 ARG 32 10.142 7.174 4.770
220 HG2 ARG 32 HG2 ARG 32 9.538 7.619 7.157
221 HG3 ARG 32 HG3 ARG 32 9.288 5.873 7.391
222 HD2 ARG 32 HD2 ARG 32 11.527 6.485 8.154
223 HD3 ARG 32 HD3 ARG 32 11.647 5.465 6.708
224 HE ARG 32 HE ARG 32 12.514 7.258 5.507
225 HH11 ARG 32 1HH1 ARG 32 11.300 8.370 8.647
226 HH12 ARG 32 2HH1 ARG 32 12.002 9.965 8.494
227 HH21 ARG 32 1HH2 ARG 32 13.419 9.353 5.315
228 HH22 ARG 32 2HH2 ARG 32 13.206 10.524 6.597
229 H ASN 33 H ASN 33 7.272 8.453 3.258
230 HA ASN 33 HA ASN 33 6.516 6.445 1.332
231 HB2 ASN 33 HB2 ASN 33 5.278 8.613 1.665
232 HB3 ASN 33 HB3 ASN 33 6.689 9.470 1.029
233 HD21 ASN 33 1HD2 ASN 33 3.841 9.163 0.050
234 HD22 ASN 33 2HD2 ASN 33 3.997 8.612 -1.603
235 H GLY 34 H GLY 34 7.977 5.456 0.118
236 HA2 GLY 34 HA2 GLY 34 10.672 6.055 -0.032
237 HA3 GLY 34 HA3 GLY 34 9.771 4.930 -1.055
238 H PHE 35 H PHE 35 7.992 6.820 -2.355
239 HA PHE 35 HA PHE 35 9.879 7.844 -4.290
240 HB2 PHE 35 HB2 PHE 35 8.036 8.557 -5.628
241 HB3 PHE 35 HB3 PHE 35 8.127 6.825 -5.317
242 HD1 PHE 35 HD1 PHE 35 6.248 9.917 -4.548
243 HD2 PHE 35 HD2 PHE 35 6.389 5.641 -4.182
244 HE1 PHE 35 HE1 PHE 35 3.861 9.899 -3.866
245 HE2 PHE 35 HE2 PHE 35 4.004 5.619 -3.499
246 HZ PHE 35 HZ PHE 35 2.737 7.748 -3.346
247 H TYR 36 H TYR 36 10.072 9.830 -5.139
248 HA TYR 36 HA TYR 36 10.614 11.973 -5.070
249 HB2 TYR 36 HB2 TYR 36 8.486 12.492 -3.024
250 HB3 TYR 36 HB3 TYR 36 9.443 13.681 -3.917
251 HD1 TYR 36 HD1 TYR 36 9.402 13.207 -6.607
252 HD2 TYR 36 HD2 TYR 36 6.340 12.125 -3.791
253 HE1 TYR 36 HE1 TYR 36 7.736 13.172 -8.443
254 HE2 TYR 36 HE2 TYR 36 4.664 12.084 -5.616
255 HH TYR 36 HH TYR 36 5.540 12.823 -9.019
256 H LEU 37 H LEU 37 12.608 10.998 -4.239
257 HA LEU 37 HA LEU 37 13.237 10.781 -1.525
258 HB2 LEU 37 HB2 LEU 37 15.046 11.395 -3.897
259 HB3 LEU 37 HB3 LEU 37 15.599 10.941 -2.273
260 HG LEU 37 HG LEU 37 13.834 9.217 -4.067
261 HD11 LEU 37 1HD1 LEU 37 16.787 9.005 -3.342
262 HD12 LEU 37 2HD1 LEU 37 15.865 7.829 -4.310
263 HD13 LEU 37 3HD1 LEU 37 16.136 9.474 -4.930
264 HD21 LEU 37 3HD2 LEU 37 15.202 8.657 -1.397
265 HD22 LEU 37 1HD2 LEU 37 13.448 8.753 -1.680
266 HD23 LEU 37 2HD2 LEU 37 14.390 7.438 -2.406
267 H LEU 38 H LEU 38 13.632 13.510 -3.911
268 HA LEU 38 HA LEU 38 14.729 15.159 -1.784
269 HB2 LEU 38 HB2 LEU 38 14.140 15.923 -4.655
270 HB3 LEU 38 HB3 LEU 38 15.000 16.889 -3.444
271 HG LEU 38 HG LEU 38 15.901 14.211 -4.590
272 HD11 LEU 38 1HD1 LEU 38 16.967 17.049 -4.909
273 HD12 LEU 38 2HD1 LEU 38 17.688 15.582 -5.611
274 HD13 LEU 38 3HD1 LEU 38 16.080 16.126 -6.144
275 HD21 LEU 38 3HD2 LEU 38 17.230 16.072 -2.572
276 HD22 LEU 38 1HD2 LEU 38 16.645 14.418 -2.264
277 HD23 LEU 38 2HD2 LEU 38 18.019 14.683 -3.355
278 H LYS 39 H LYS 39 12.993 15.354 -0.333
279 HA LYS 39 HA LYS 39 10.544 16.541 -1.451
280 HB2 LYS 39 HB2 LYS 39 11.018 15.510 1.365
281 HB3 LYS 39 HB3 LYS 39 9.521 16.226 0.736
282 HG2 LYS 39 HG2 LYS 39 9.417 14.369 -0.955
283 HG3 LYS 39 HG3 LYS 39 10.848 13.646 -0.164
284 HD2 LYS 39 HD2 LYS 39 9.635 13.496 1.961
285 HD3 LYS 39 HD3 LYS 39 8.219 14.290 1.234
286 HE2 LYS 39 HE2 LYS 39 7.995 12.423 -0.371
287 HE3 LYS 39 HE3 LYS 39 9.404 11.625 0.364
288 HZ1 LYS 39 HZ1 LYS 39 7.352 10.784 1.228
289 HZ2 LYS 39 HZ2 LYS 39 6.898 12.283 1.744
290 HZ3 LYS 39 HZ3 LYS 39 8.206 11.538 2.420
291 H TYR 40 H TYR 40 10.794 18.749 -1.490
292 HA TYR 40 HA TYR 40 12.787 20.154 -0.056
293 HB2 TYR 40 HB2 TYR 40 10.405 21.217 -1.567
294 HB3 TYR 40 HB3 TYR 40 11.791 22.149 -0.977
295 HD1 TYR 40 HD1 TYR 40 10.659 19.618 -3.426
296 HD2 TYR 40 HD2 TYR 40 13.972 21.984 -2.045
297 HE1 TYR 40 HE1 TYR 40 11.937 19.003 -5.460
298 HE2 TYR 40 HE2 TYR 40 15.260 21.379 -4.074
299 HH TYR 40 HH TYR 40 13.912 19.223 -6.610
300 H ASP 41 H ASP 41 9.317 19.574 0.540
301 HA ASP 41 HA ASP 41 8.960 21.451 2.589
302 HB2 ASP 41 HB2 ASP 41 7.593 18.753 2.245
303 HB3 ASP 41 HB3 ASP 41 7.015 20.119 3.221
304 H GLU 42 H GLU 42 9.989 17.948 2.668
305 HA GLU 42 HA GLU 42 10.189 17.968 5.531
306 HB2 GLU 42 HB2 GLU 42 11.227 15.988 3.482
307 HB3 GLU 42 HB3 GLU 42 11.251 15.756 5.242
308 HG2 GLU 42 HG2 GLU 42 8.753 16.136 3.537
309 HG3 GLU 42 HG3 GLU 42 9.351 14.585 4.154
310 H GLU 43 H GLU 43 12.198 17.819 6.734
311 HA GLU 43 HA GLU 43 14.419 19.069 5.254
312 HB2 GLU 43 HB2 GLU 43 13.693 20.390 7.187
313 HB3 GLU 43 HB3 GLU 43 13.957 18.991 8.252
314 HG2 GLU 43 HG2 GLU 43 16.347 18.948 7.608
315 HG3 GLU 43 HG3 GLU 43 16.084 20.323 6.522
316 H TRP 44 H TRP 44 16.109 17.881 4.828
317 HA TRP 44 HA TRP 44 17.509 16.186 4.583
318 HB2 TRP 44 HB2 TRP 44 17.275 16.106 7.566
319 HB3 TRP 44 HB3 TRP 44 18.359 15.075 6.679
320 HD1 TRP 44 HD1 TRP 44 18.396 18.302 4.960
321 HE1 TRP 44 HE1 TRP 44 20.415 19.700 5.631
322 HE3 TRP 44 HE3 TRP 44 19.857 15.661 9.088
323 HZ2 TRP 44 HZ2 TRP 44 22.452 19.664 7.696
324 HZ3 TRP 44 HZ3 TRP 44 21.841 16.362 10.380
325 HH2 TRP 44 HH2 TRP 44 23.148 18.355 9.695
326 H TYR 45 H TYR 45 14.851 15.470 3.909
327 HA TYR 45 HA TYR 45 14.162 12.982 5.062
328 HB2 TYR 45 HB2 TYR 45 12.643 14.489 3.756
329 HB3 TYR 45 HB3 TYR 45 13.466 13.970 2.278
330 HD1 TYR 45 HD1 TYR 45 11.561 12.771 5.244
331 HD2 TYR 45 HD2 TYR 45 12.883 11.892 1.248
332 HE1 TYR 45 HE1 TYR 45 10.123 10.751 5.223
333 HE2 TYR 45 HE2 TYR 45 11.434 9.878 1.206
334 HH TYR 45 HH TYR 45 9.955 8.572 2.383
335 HA PRO 46 HA PRO 46 16.629 10.942 1.489
336 HB2 PRO 46 HB2 PRO 46 18.777 12.287 0.387
337 HB3 PRO 46 HB3 PRO 46 17.132 12.218 -0.332
338 HG2 PRO 46 HG2 PRO 46 18.350 14.392 1.365
339 HG3 PRO 46 HG3 PRO 46 17.355 14.567 -0.113
340 HD2 PRO 46 HD2 PRO 46 16.322 14.884 2.383
341 HD3 PRO 46 HD3 PRO 46 15.361 14.132 1.073
342 H GLU 47 H GLU 47 18.315 13.257 3.651
343 HA GLU 47 HA GLU 47 20.558 11.605 4.127
344 HB2 GLU 47 HB2 GLU 47 19.414 13.901 5.668
345 HB3 GLU 47 HB3 GLU 47 20.808 12.959 6.199
346 HG2 GLU 47 HG2 GLU 47 21.742 14.800 5.099
347 HG3 GLU 47 HG3 GLU 47 21.885 13.464 3.950
348 H GLU 48 H GLU 48 17.341 11.843 5.763
349 HA GLU 48 HA GLU 48 18.012 10.083 7.846
350 HB2 GLU 48 HB2 GLU 48 15.366 10.757 6.562
351 HB3 GLU 48 HB3 GLU 48 15.537 9.676 7.963
352 HG2 GLU 48 HG2 GLU 48 16.564 11.445 9.276
353 HG3 GLU 48 HG3 GLU 48 16.575 12.536 7.884
354 H LEU 49 H LEU 49 16.654 9.509 4.534
355 HA LEU 49 HA LEU 49 16.302 6.726 4.860
356 HB2 LEU 49 HB2 LEU 49 16.765 8.354 2.352
357 HB3 LEU 49 HB3 LEU 49 16.296 6.647 2.391
358 HG LEU 49 HG LEU 49 14.660 8.902 3.630
359 HD11 LEU 49 1HD1 LEU 49 14.345 7.399 0.996
360 HD12 LEU 49 2HD1 LEU 49 13.165 8.539 1.677
361 HD13 LEU 49 3HD1 LEU 49 14.772 9.117 1.183
362 HD21 LEU 49 3HD2 LEU 49 14.044 5.965 3.075
363 HD22 LEU 49 1HD2 LEU 49 14.250 6.709 4.679
364 HD23 LEU 49 2HD2 LEU 49 12.873 7.169 3.660
365 H LEU 50 H LEU 50 19.118 8.640 3.639
366 HA LEU 50 HA LEU 50 20.561 6.342 2.793
367 HB2 LEU 50 HB2 LEU 50 21.504 9.151 3.387
368 HB3 LEU 50 HB3 LEU 50 22.527 7.858 2.732
369 HG LEU 50 HG LEU 50 19.967 8.816 1.387
370 HD11 LEU 50 1HD1 LEU 50 22.878 9.537 0.842
371 HD12 LEU 50 2HD1 LEU 50 21.484 10.015 -0.156
372 HD13 LEU 50 3HD1 LEU 50 21.638 10.628 1.506
373 HD21 LEU 50 3HD2 LEU 50 22.302 7.104 0.436
374 HD22 LEU 50 1HD2 LEU 50 20.645 6.535 0.753
375 HD23 LEU 50 2HD2 LEU 50 20.955 7.663 -0.581
376 H THR 51 H THR 51 21.813 4.991 3.678
377 HA THR 51 HA THR 51 22.162 4.780 6.467
378 HB THR 51 HB THR 51 23.579 3.439 4.144
379 HG1 THR 51 HG1 THR 51 21.302 3.148 4.266
380 HG21 THR 51 1HG2 THR 51 23.383 2.708 7.098
381 HG22 THR 51 2HG2 THR 51 24.078 1.676 5.827
382 HG23 THR 51 3HG2 THR 51 24.857 3.218 6.238
383 H ASP 52 H ASP 52 24.333 5.874 3.764
384 HA ASP 52 HA ASP 52 26.213 6.860 5.806
385 HB2 ASP 52 HB2 ASP 52 26.780 6.095 2.913
386 HB3 ASP 52 HB3 ASP 52 27.934 6.843 4.038
387 H GLY 53 H GLY 53 26.469 9.037 5.865
388 HA2 GLY 53 HA2 GLY 53 25.078 10.643 3.875
389 HA3 GLY 53 HA3 GLY 53 25.550 11.115 5.509
390 H GLU 54 H GLU 54 28.106 9.448 3.848
391 HA GLU 54 HA GLU 54 29.882 11.561 3.989
392 HB2 GLU 54 HB2 GLU 54 29.869 9.167 2.086
393 HB3 GLU 54 HB3 GLU 54 31.265 10.219 2.404
394 HG2 GLU 54 HG2 GLU 54 31.236 9.571 4.778
395 HG3 GLU 54 HG3 GLU 54 29.811 8.551 4.497
396 H ASP 55 H ASP 55 28.027 10.341 1.102
397 HA ASP 55 HA ASP 55 29.215 12.130 -0.740
398 HB2 ASP 55 HB2 ASP 55 26.481 10.787 -0.878
399 HB3 ASP 55 HB3 ASP 55 27.377 11.505 -2.231
400 H ASP 56 H ASP 56 26.081 12.196 1.077
401 HA ASP 56 HA ASP 56 25.615 14.916 0.140
402 HB2 ASP 56 HB2 ASP 56 23.816 13.074 1.724
403 HB3 ASP 56 HB3 ASP 56 23.415 14.705 1.156
404 H VAL 57 H VAL 57 27.739 15.438 1.433
405 HA VAL 57 HA VAL 57 26.693 16.758 3.810
406 HB VAL 57 HB VAL 57 27.685 14.592 4.627
407 HG11 VAL 57 1HG1 VAL 57 30.300 16.041 4.061
408 HG12 VAL 57 2HG1 VAL 57 30.088 14.439 4.796
409 HG13 VAL 57 3HG1 VAL 57 29.691 14.701 3.080
410 HG21 VAL 57 3HG2 VAL 57 28.880 17.194 5.647
411 HG22 VAL 57 1HG2 VAL 57 27.254 16.580 6.034
412 HG23 VAL 57 2HG2 VAL 57 28.696 15.678 6.551
413 H PHE 58 H PHE 58 28.062 18.547 4.418
414 HA PHE 58 HA PHE 58 29.203 19.946 2.222
415 HB2 PHE 58 HB2 PHE 58 29.292 20.551 5.215
416 HB3 PHE 58 HB3 PHE 58 29.695 21.676 3.909
417 HD1 PHE 58 HD1 PHE 58 26.973 19.923 5.679
418 HD2 PHE 58 HD2 PHE 58 27.943 22.691 2.536
419 HE1 PHE 58 HE1 PHE 58 24.593 20.612 5.551
420 HE2 PHE 58 HE2 PHE 58 25.563 23.380 2.410
421 HZ PHE 58 HZ PHE 58 23.888 22.340 3.916
422 H ASP 59 H ASP 59 31.542 20.497 2.062
423 HA ASP 59 HA ASP 59 33.284 18.382 2.685
424 HB2 ASP 59 HB2 ASP 59 34.077 21.179 1.891
425 HB3 ASP 59 HB3 ASP 59 35.073 19.712 1.843
426 HA PRO 60 HA PRO 60 35.289 20.909 6.163
427 HB2 PRO 60 HB2 PRO 60 32.956 22.398 7.307
428 HB3 PRO 60 HB3 PRO 60 34.668 22.923 7.172
429 HG2 PRO 60 HG2 PRO 60 32.778 23.925 5.491
430 HG3 PRO 60 HG3 PRO 60 34.398 23.462 4.868
431 HD2 PRO 60 HD2 PRO 60 31.826 21.863 4.755
432 HD3 PRO 60 HD3 PRO 60 33.023 22.164 3.454
433 H ASP 61 H ASP 61 31.980 19.551 6.438
434 HA ASP 61 HA ASP 61 32.817 18.526 9.077
435 HB2 ASP 61 HB2 ASP 61 30.012 18.645 7.893
436 HB3 ASP 61 HB3 ASP 61 30.457 18.059 9.508
437 H LEU 62 H LEU 62 33.385 16.404 9.174
438 HA LEU 62 HA LEU 62 32.358 14.688 7.002
439 HB2 LEU 62 HB2 LEU 62 34.952 14.307 8.484
440 HB3 LEU 62 HB3 LEU 62 34.263 13.242 7.242
441 HG LEU 62 HG LEU 62 35.062 16.161 6.829
442 HD11 LEU 62 1HD1 LEU 62 36.384 13.562 5.942
443 HD12 LEU 62 2HD1 LEU 62 36.916 15.202 5.504
444 HD13 LEU 62 3HD1 LEU 62 36.991 14.667 7.198
445 HD21 LEU 62 3HD2 LEU 62 34.134 14.015 4.868
446 HD22 LEU 62 1HD2 LEU 62 33.242 15.492 5.309
447 HD23 LEU 62 2HD2 LEU 62 34.768 15.615 4.415
448 H ASP 63 H ASP 63 30.913 13.346 7.597
449 HA ASP 63 HA ASP 63 30.024 12.940 10.205
450 HB2 ASP 63 HB2 ASP 63 29.527 11.396 7.641
451 HB3 ASP 63 HB3 ASP 63 28.744 11.035 9.177
452 H MET 64 H MET 64 32.189 10.942 8.105
453 HA MET 64 HA MET 64 32.209 8.693 9.800
454 HB2 MET 64 HB2 MET 64 34.336 9.644 7.869
455 HB3 MET 64 HB3 MET 64 34.264 8.050 8.642
456 HG2 MET 64 HG2 MET 64 32.169 9.212 6.765
457 HG3 MET 64 HG3 MET 64 33.392 8.010 6.346
458 HE1 MET 64 HE1 MET 64 29.843 8.567 7.131
459 HE2 MET 64 HE2 MET 64 29.340 7.322 8.299
460 HE3 MET 64 HE3 MET 64 30.348 8.685 8.833
461 H GLU 65 H GLU 65 34.289 11.615 9.679
462 HA GLU 65 HA GLU 65 36.200 10.712 11.524
463 HB2 GLU 65 HB2 GLU 65 35.358 13.548 10.838
464 HB3 GLU 65 HB3 GLU 65 36.830 13.067 11.711
465 HG2 GLU 65 HG2 GLU 65 36.107 12.275 8.856
466 HG3 GLU 65 HG3 GLU 65 37.303 13.496 9.326
467 H VAL 66 H VAL 66 33.138 12.641 12.051
468 HA VAL 66 HA VAL 66 33.802 12.374 14.927
469 HB VAL 66 HB VAL 66 32.017 14.410 13.573
470 HG11 VAL 66 1HG1 VAL 66 32.943 14.080 16.459
471 HG12 VAL 66 2HG1 VAL 66 32.026 15.466 15.821
472 HG13 VAL 66 3HG1 VAL 66 31.286 13.854 15.855
473 HG21 VAL 66 3HG2 VAL 66 34.792 14.641 14.814
474 HG22 VAL 66 1HG2 VAL 66 34.403 14.790 13.083
475 HG23 VAL 66 2HG2 VAL 66 33.803 16.002 14.235
476 H VAL 67 H VAL 67 32.609 11.039 16.086
477 HA VAL 67 HA VAL 67 30.486 9.488 15.047
478 HB VAL 67 HB VAL 67 31.392 9.911 17.901
479 HG11 VAL 67 1HG1 VAL 67 29.654 7.772 16.597
480 HG12 VAL 67 2HG1 VAL 67 30.251 7.734 18.273
481 HG13 VAL 67 3HG1 VAL 67 29.109 8.997 17.769
482 HG21 VAL 67 3HG2 VAL 67 32.070 7.781 15.826
483 HG22 VAL 67 1HG2 VAL 67 33.178 9.031 16.441
484 HG23 VAL 67 2HG2 VAL 67 32.578 7.763 17.531
485 H PHE 68 H PHE 68 30.658 12.412 17.136
486 HA PHE 68 HA PHE 68 27.920 12.563 17.790
487 HB2 PHE 68 HB2 PHE 68 29.965 14.811 17.578
488 HB3 PHE 68 HB3 PHE 68 28.380 14.910 18.358
489 HD1 PHE 68 HD1 PHE 68 31.807 13.569 18.609
490 HD2 PHE 68 HD2 PHE 68 27.960 13.828 20.511
491 HE1 PHE 68 HE1 PHE 68 32.798 12.745 20.727
492 HE2 PHE 68 HE2 PHE 68 28.953 13.004 22.629
493 HZ PHE 68 HZ PHE 68 31.372 12.463 22.738
494 H GLU 69 H GLU 69 26.244 13.612 16.846
495 HA GLU 69 HA GLU 69 24.906 14.378 15.250
496 HB2 GLU 69 HB2 GLU 69 27.137 16.351 14.744
497 HB3 GLU 69 HB3 GLU 69 25.434 16.506 14.257
498 HG2 GLU 69 HG2 GLU 69 24.750 16.404 16.638
499 HG3 GLU 69 HG3 GLU 69 26.455 16.288 17.119
500 H THR 70 H THR 70 26.161 12.020 14.385
501 HA THR 70 HA THR 70 27.029 12.496 11.669
502 HB THR 70 HB THR 70 26.423 9.970 13.200
503 HG1 THR 70 HG1 THR 70 28.350 11.127 13.674
504 HG21 THR 70 1HG2 THR 70 27.260 10.429 10.316
505 HG22 THR 70 2HG2 THR 70 27.464 8.875 11.161
506 HG23 THR 70 3HG2 THR 70 25.841 9.547 10.897
507 H GLN 71 H GLN 71 25.638 12.567 9.922
508 HA GLN 71 HA GLN 71 22.785 12.398 10.526
509 HB2 GLN 71 HB2 GLN 71 23.208 12.856 7.754
510 HB3 GLN 71 HB3 GLN 71 22.467 13.920 8.950
511 HG2 GLN 71 HG2 GLN 71 24.521 15.044 9.372
512 HG3 GLN 71 HG3 GLN 71 25.477 13.749 8.627
513 HE21 GLN 71 1HE2 GLN 71 25.790 13.648 6.422
514 HE22 GLN 71 2HE2 GLN 71 25.247 14.897 5.323
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 -14.863 -8.570 2.088
2 H2 GLY 1 H2 GLY 1 -15.670 -9.896 1.410
3 H3 GLY 1 H3 GLY 1 -14.026 -10.011 1.768
4 HA2 GLY 1 HA3 GLY 1 -15.323 -8.380 -0.343
5 HA3 GLY 1 HA2 GLY 1 -13.615 -8.199 0.121
6 H SER 2 H SER 2 -12.479 -9.055 -1.569
7 HA SER 2 HA SER 2 -13.373 -11.453 -2.894
8 HB2 SER 2 HB2 SER 2 -12.214 -9.592 -4.123
9 HB3 SER 2 HB3 SER 2 -10.734 -9.985 -3.216
10 HG SER 2 HG SER 2 -10.849 -11.049 -5.240
11 H THR 3 H THR 3 -11.676 -13.284 -3.155
12 HA THR 3 HA THR 3 -10.905 -14.136 -0.492
13 HB THR 3 HB THR 3 -10.633 -15.563 -3.134
14 HG1 THR 3 HG1 THR 3 -12.796 -15.086 -2.518
15 HG21 THR 3 1HG2 THR 3 -10.516 -16.515 -0.241
16 HG22 THR 3 2HG2 THR 3 -10.426 -17.551 -1.685
17 HG23 THR 3 3HG2 THR 3 -9.129 -16.381 -1.348
18 H ALA 4 H ALA 4 -9.463 -12.270 -0.341
19 HA ALA 4 HA ALA 4 -6.781 -12.872 -1.307
20 HB1 ALA 4 HB1 ALA 4 -8.062 -10.102 -1.360
21 HB2 ALA 4 HB2 ALA 4 -6.352 -10.473 -1.683
22 HB3 ALA 4 HB3 ALA 4 -7.615 -11.058 -2.792
23 H MET 5 H MET 5 -5.207 -11.841 0.202
24 HA MET 5 HA MET 5 -5.981 -12.082 2.900
25 HB2 MET 5 HB2 MET 5 -3.781 -11.344 3.488
26 HB3 MET 5 HB3 MET 5 -3.660 -12.480 2.124
27 HG2 MET 5 HG2 MET 5 -3.554 -10.540 0.555
28 HG3 MET 5 HG3 MET 5 -3.590 -9.436 1.951
29 HE1 MET 5 HE1 MET 5 -1.599 -11.799 -0.311
30 HE2 MET 5 HE2 MET 5 -0.129 -12.152 0.626
31 HE3 MET 5 HE3 MET 5 -1.698 -12.809 1.151
32 H ALA 6 H ALA 6 -6.409 -10.706 4.468
33 HA ALA 6 HA ALA 6 -7.336 -8.966 5.488
34 HB1 ALA 6 HB1 ALA 6 -5.434 -7.372 3.752
35 HB2 ALA 6 HB2 ALA 6 -6.302 -6.775 5.187
36 HB3 ALA 6 HB3 ALA 6 -5.085 -8.063 5.355
37 H THR 7 H THR 7 -8.796 -9.999 3.221
38 HA THR 7 HA THR 7 -10.509 -9.582 1.864
39 HB THR 7 HB THR 7 -12.300 -8.287 2.687
40 HG1 THR 7 HG1 THR 7 -11.062 -6.595 3.605
41 HG21 THR 7 1HG2 THR 7 -10.855 -9.915 4.819
42 HG22 THR 7 2HG2 THR 7 -12.594 -9.535 4.798
43 HG23 THR 7 3HG2 THR 7 -11.894 -10.572 3.532
44 H THR 8 H THR 8 -8.360 -8.589 0.630
45 HA THR 8 HA THR 8 -8.736 -5.851 -0.091
46 HB THR 8 HB THR 8 -7.246 -8.003 -1.592
47 HG1 THR 8 HG1 THR 8 -6.569 -7.744 0.584
48 HG21 THR 8 1HG2 THR 8 -6.974 -4.982 -1.564
49 HG22 THR 8 2HG2 THR 8 -5.935 -6.123 -2.451
50 HG23 THR 8 3HG2 THR 8 -7.653 -5.958 -2.888
51 H MET 9 H MET 9 -10.022 -4.980 -1.611
52 HA MET 9 HA MET 9 -11.915 -6.672 -3.031
53 HB2 MET 9 HB2 MET 9 -11.718 -3.719 -2.408
54 HB3 MET 9 HB3 MET 9 -12.760 -4.300 -3.729
55 HG2 MET 9 HG2 MET 9 -14.092 -4.096 -1.727
56 HG3 MET 9 HG3 MET 9 -13.883 -5.826 -2.087
57 HE1 MET 9 HE1 MET 9 -13.028 -2.826 0.235
58 HE2 MET 9 HE2 MET 9 -11.824 -3.531 1.338
59 HE3 MET 9 HE3 MET 9 -11.414 -3.266 -0.373
60 H GLU 10 H GLU 10 -8.831 -5.571 -3.639
61 HA GLU 10 HA GLU 10 -7.510 -5.228 -5.362
62 HB2 GLU 10 HB2 GLU 10 -9.552 -6.741 -6.979
63 HB3 GLU 10 HB3 GLU 10 -7.850 -6.429 -7.395
64 HG2 GLU 10 HG2 GLU 10 -7.137 -7.651 -5.349
65 HG3 GLU 10 HG3 GLU 10 -8.842 -7.984 -4.963
66 H GLN 11 H GLN 11 -9.193 -3.074 -4.618
67 HA GLN 11 HA GLN 11 -9.285 -1.682 -7.210
68 HB2 GLN 11 HB2 GLN 11 -11.050 -0.229 -6.312
69 HB3 GLN 11 HB3 GLN 11 -11.567 -1.913 -6.568
70 HG2 GLN 11 HG2 GLN 11 -11.332 -2.360 -4.171
71 HG3 GLN 11 HG3 GLN 11 -10.782 -0.688 -3.905
72 HE21 GLN 11 1HE2 GLN 11 -13.388 -2.630 -3.522
73 HE22 GLN 11 2HE2 GLN 11 -14.683 -1.475 -3.738
74 H GLU 12 H GLU 12 -7.041 -2.093 -5.273
75 HA GLU 12 HA GLU 12 -5.435 -0.987 -4.186
76 HB2 GLU 12 HB2 GLU 12 -6.112 1.127 -6.215
77 HB3 GLU 12 HB3 GLU 12 -4.642 1.058 -5.213
78 HG2 GLU 12 HG2 GLU 12 -4.117 -1.172 -6.184
79 HG3 GLU 12 HG3 GLU 12 -5.553 -1.035 -7.227
80 H ILE 13 H ILE 13 -7.316 -1.096 -2.401
81 HA ILE 13 HA ILE 13 -7.521 1.667 -1.389
82 HB ILE 13 HB ILE 13 -9.233 0.888 0.135
83 HG12 ILE 13 2HG1 ILE 13 -8.756 -1.463 0.373
84 HG13 ILE 13 3HG1 ILE 13 -10.423 -1.194 -0.189
85 HG21 ILE 13 1HG2 ILE 13 -9.712 0.377 -2.824
86 HG22 ILE 13 2HG2 ILE 13 -10.971 0.728 -1.616
87 HG23 ILE 13 3HG2 ILE 13 -9.747 1.959 -2.009
88 HD11 ILE 13 3HD1 ILE 13 -9.765 -1.842 -2.452
89 HD12 ILE 13 1HD1 ILE 13 -8.098 -2.112 -1.889
90 HD13 ILE 13 2HD1 ILE 13 -9.423 -3.120 -1.262
91 H CYS 14 H CYS 14 -6.247 2.311 0.023
92 HA CYS 14 HA CYS 14 -5.569 0.931 2.408
93 HB2 CYS 14 HB2 CYS 14 -3.289 1.459 0.489
94 HB3 CYS 14 HB3 CYS 14 -3.127 1.167 2.237
95 H ALA 15 H ALA 15 -3.810 2.493 3.567
96 HA ALA 15 HA ALA 15 -4.876 5.081 3.738
97 HB1 ALA 15 HB1 ALA 15 -2.099 4.081 4.522
98 HB2 ALA 15 HB2 ALA 15 -2.851 5.604 5.052
99 HB3 ALA 15 HB3 ALA 15 -3.539 4.045 5.565
100 H HIS 16 H HIS 16 -2.065 3.549 2.069
101 HA HIS 16 HA HIS 16 -1.426 5.990 0.601
102 HB2 HIS 16 HB2 HIS 16 0.097 3.401 0.838
103 HB3 HIS 16 HB3 HIS 16 0.549 4.789 -0.180
104 HD1 HIS 16 HD1 HIS 16 1.238 6.966 1.109
105 HD2 HIS 16 HD2 HIS 16 0.557 3.622 3.557
106 HE1 HIS 16 HE1 HIS 16 2.198 7.523 3.437
107 H SER 17 H SER 17 -0.608 5.040 -1.827
108 HA SER 17 HA SER 17 -3.018 4.813 -3.214
109 HB2 SER 17 HB2 SER 17 -1.599 4.593 -5.183
110 HB3 SER 17 HB3 SER 17 -1.006 5.888 -4.116
111 HG SER 17 HG SER 17 0.666 4.503 -4.849
112 H MET 18 H MET 18 -0.744 2.077 -2.580
113 HA MET 18 HA MET 18 -2.404 0.445 -4.321
114 HB2 MET 18 HB2 MET 18 0.086 -0.286 -2.811
115 HB3 MET 18 HB3 MET 18 -0.784 -1.282 -4.002
116 HG2 MET 18 HG2 MET 18 0.407 1.451 -4.588
117 HG3 MET 18 HG3 MET 18 1.201 -0.101 -4.946
118 HE1 MET 18 HE1 MET 18 -1.278 -1.895 -5.806
119 HE2 MET 18 HE2 MET 18 -1.213 -1.696 -7.572
120 HE3 MET 18 HE3 MET 18 0.292 -1.887 -6.643
121 H THR 19 H THR 19 -2.378 -1.994 -3.579
122 HA THR 19 HA THR 19 -4.712 -2.174 -1.960
123 HB THR 19 HB THR 19 -4.527 -4.571 -2.390
124 HG1 THR 19 HG1 THR 19 -2.824 -5.260 -3.740
125 HG21 THR 19 1HG2 THR 19 -4.079 -2.867 -4.866
126 HG22 THR 19 2HG2 THR 19 -4.796 -4.496 -4.832
127 HG23 THR 19 3HG2 THR 19 -5.638 -3.137 -4.051
128 H PHE 20 H PHE 20 -4.876 -3.955 -0.278
129 HA PHE 20 HA PHE 20 -3.262 -3.412 1.925
130 HB2 PHE 20 HB2 PHE 20 -5.077 -5.776 1.352
131 HB3 PHE 20 HB3 PHE 20 -4.254 -5.494 2.905
132 HD1 PHE 20 HD1 PHE 20 -4.558 -3.041 3.870
133 HD2 PHE 20 HD2 PHE 20 -7.233 -4.928 1.088
134 HE1 PHE 20 HE1 PHE 20 -6.356 -1.469 4.536
135 HE2 PHE 20 HE2 PHE 20 -9.038 -3.368 1.765
136 HZ PHE 20 HZ PHE 20 -8.598 -1.634 3.485
137 H GLU 21 H GLU 21 -3.158 -5.995 -0.561
138 HA GLU 21 HA GLU 21 -1.233 -7.670 0.552
139 HB2 GLU 21 HB2 GLU 21 -1.760 -7.009 -2.390
140 HB3 GLU 21 HB3 GLU 21 -0.919 -8.450 -1.772
141 HG2 GLU 21 HG2 GLU 21 -2.984 -9.171 -0.640
142 HG3 GLU 21 HG3 GLU 21 -3.825 -7.729 -1.257
143 H GLU 22 H GLU 22 -1.048 -4.697 -1.480
144 HA GLU 22 HA GLU 22 1.848 -4.819 -1.663
145 HB2 GLU 22 HB2 GLU 22 -0.188 -2.861 -2.815
146 HB3 GLU 22 HB3 GLU 22 1.546 -2.940 -3.210
147 HG2 GLU 22 HG2 GLU 22 -0.453 -5.164 -3.733
148 HG3 GLU 22 HG3 GLU 22 0.098 -3.976 -4.937
149 H CYS 23 H CYS 23 -0.077 -3.912 0.905
150 HA CYS 23 HA CYS 23 0.561 -1.248 1.403
151 HB2 CYS 23 HB2 CYS 23 -0.036 -3.492 3.313
152 HB3 CYS 23 HB3 CYS 23 0.486 -1.886 3.875
153 HA PRO 24 HA PRO 24 4.484 -2.550 3.794
154 HB2 PRO 24 HB2 PRO 24 5.952 -4.669 2.934
155 HB3 PRO 24 HB3 PRO 24 4.793 -4.751 4.282
156 HG2 PRO 24 HG2 PRO 24 4.397 -5.547 1.364
157 HG3 PRO 24 HG3 PRO 24 3.866 -6.414 2.825
158 HD2 PRO 24 HD2 PRO 24 2.136 -4.844 1.406
159 HD3 PRO 24 HD3 PRO 24 2.033 -4.980 3.177
160 H LYS 25 H LYS 25 4.223 -3.247 0.301
161 HA LYS 25 HA LYS 25 6.735 -2.200 -0.461
162 HB2 LYS 25 HB2 LYS 25 4.154 -2.536 -2.013
163 HB3 LYS 25 HB3 LYS 25 5.742 -2.139 -2.708
164 HG2 LYS 25 HG2 LYS 25 6.675 -4.243 -1.830
165 HG3 LYS 25 HG3 LYS 25 5.113 -4.634 -1.073
166 HD2 LYS 25 HD2 LYS 25 4.032 -4.612 -3.308
167 HD3 LYS 25 HD3 LYS 25 5.603 -4.245 -4.058
168 HE2 LYS 25 HE2 LYS 25 6.525 -6.363 -3.223
169 HE3 LYS 25 HE3 LYS 25 4.989 -6.724 -2.398
170 HZ1 LYS 25 HZ1 LYS 25 5.350 -6.409 -5.289
171 HZ2 LYS 25 HZ2 LYS 25 5.154 -7.836 -4.488
172 HZ3 LYS 25 HZ3 LYS 25 3.924 -6.736 -4.527
173 H CYS 26 H CYS 26 3.455 -0.796 -0.126
174 HA CYS 26 HA CYS 26 4.032 1.774 -1.099
175 HB2 CYS 26 HB2 CYS 26 1.922 0.694 0.811
176 HB3 CYS 26 HB3 CYS 26 2.024 2.418 0.381
177 HG CYS 26 HG CYS 26 0.172 1.254 -1.037
178 H SER 27 H SER 27 5.106 0.187 1.778
179 HA SER 27 HA SER 27 6.083 0.743 3.648
180 HB2 SER 27 HB2 SER 27 6.454 3.490 2.420
181 HB3 SER 27 HB3 SER 27 7.267 2.853 3.870
182 HG SER 27 HG SER 27 8.520 2.606 1.967
183 H ALA 28 H ALA 28 3.300 0.685 3.388
184 HA ALA 28 HA ALA 28 1.947 2.853 4.553
185 HB1 ALA 28 HB1 ALA 28 1.203 -0.083 4.557
186 HB2 ALA 28 HB2 ALA 28 0.144 1.278 4.996
187 HB3 ALA 28 HB3 ALA 28 0.740 1.117 3.327
188 H LEU 29 H LEU 29 3.554 -0.064 5.923
189 HA LEU 29 HA LEU 29 2.619 0.211 8.544
190 HB2 LEU 29 HB2 LEU 29 5.308 -0.876 7.578
191 HB3 LEU 29 HB3 LEU 29 4.514 -1.231 9.131
192 HG LEU 29 HG LEU 29 3.411 -1.947 6.386
193 HD11 LEU 29 1HD1 LEU 29 4.683 -3.646 8.580
194 HD12 LEU 29 2HD1 LEU 29 3.965 -4.266 7.074
195 HD13 LEU 29 3HD1 LEU 29 5.425 -3.251 7.012
196 HD21 LEU 29 3HD2 LEU 29 2.459 -2.672 9.184
197 HD22 LEU 29 1HD2 LEU 29 1.648 -1.549 8.066
198 HD23 LEU 29 2HD2 LEU 29 1.773 -3.277 7.657
199 H GLN 30 H GLN 30 5.557 1.485 6.859
200 HA GLN 30 HA GLN 30 6.740 2.773 9.054
201 HB2 GLN 30 HB2 GLN 30 6.900 3.515 6.103
202 HB3 GLN 30 HB3 GLN 30 7.971 4.100 7.388
203 HG2 GLN 30 HG2 GLN 30 8.774 1.812 7.793
204 HG3 GLN 30 HG3 GLN 30 7.654 1.187 6.563
205 HE21 GLN 30 1HE2 GLN 30 9.749 0.325 5.657
206 HE22 GLN 30 2HE2 GLN 30 10.646 1.362 4.569
207 H TYR 31 H TYR 31 4.390 3.839 6.550
208 HA TYR 31 HA TYR 31 3.017 5.562 6.313
209 HB2 TYR 31 HB2 TYR 31 3.644 6.442 9.112
210 HB3 TYR 31 HB3 TYR 31 2.499 7.209 8.001
211 HD1 TYR 31 HD2 TYR 31 0.571 5.864 7.077
212 HD2 TYR 31 HD1 TYR 31 3.006 4.497 10.346
213 HE1 TYR 31 HE2 TYR 31 -1.196 4.241 7.702
214 HE2 TYR 31 HE1 TYR 31 1.247 2.870 10.984
215 HH TYR 31 HH TYR 31 -1.828 2.579 9.155
216 H ARG 32 H ARG 32 6.193 5.596 6.016
217 HA ARG 32 HA ARG 32 6.217 8.453 5.339
218 HB2 ARG 32 HB2 ARG 32 7.658 7.971 7.323
219 HB3 ARG 32 HB3 ARG 32 8.556 6.782 6.359
220 HG2 ARG 32 HG2 ARG 32 9.246 8.571 4.790
221 HG3 ARG 32 HG3 ARG 32 8.282 9.751 5.714
222 HD2 ARG 32 HD2 ARG 32 9.643 9.184 7.749
223 HD3 ARG 32 HD3 ARG 32 10.679 8.167 6.730
224 HE ARG 32 HE ARG 32 10.680 10.607 5.451
225 HH11 ARG 32 1HH1 ARG 32 11.413 9.536 8.751
226 HH12 ARG 32 2HH1 ARG 32 12.549 10.832 9.053
227 HH21 ARG 32 1HH2 ARG 32 12.158 12.313 5.872
228 HH22 ARG 32 2HH2 ARG 32 12.969 12.412 7.420
229 H ASN 33 H ASN 33 6.494 8.545 3.067
230 HA ASN 33 HA ASN 33 6.633 6.012 1.678
231 HB2 ASN 33 HB2 ASN 33 6.359 8.791 0.561
232 HB3 ASN 33 HB3 ASN 33 6.366 7.280 -0.372
233 HD21 ASN 33 1HD2 ASN 33 4.892 5.513 1.030
234 HD22 ASN 33 2HD2 ASN 33 3.256 6.086 1.267
235 H GLY 34 H GLY 34 8.072 4.985 0.780
236 HA2 GLY 34 HA2 GLY 34 10.779 5.523 1.054
237 HA3 GLY 34 HA3 GLY 34 10.019 4.296 0.036
238 H PHE 35 H PHE 35 8.501 5.925 -1.685
239 HA PHE 35 HA PHE 35 10.505 6.746 -3.555
240 HB2 PHE 35 HB2 PHE 35 8.594 7.376 -5.005
241 HB3 PHE 35 HB3 PHE 35 8.722 5.672 -4.548
242 HD1 PHE 35 HD1 PHE 35 6.850 8.810 -3.904
243 HD2 PHE 35 HD2 PHE 35 7.047 4.573 -3.241
244 HE1 PHE 35 HE1 PHE 35 4.537 8.847 -3.002
245 HE2 PHE 35 HE2 PHE 35 4.737 4.605 -2.336
246 HZ PHE 35 HZ PHE 35 3.482 6.741 -2.218
247 H TYR 36 H TYR 36 10.532 8.738 -4.721
248 HA TYR 36 HA TYR 36 10.935 10.918 -4.870
249 HB2 TYR 36 HB2 TYR 36 8.864 11.488 -2.799
250 HB3 TYR 36 HB3 TYR 36 9.753 12.656 -3.784
251 HD1 TYR 36 HD2 TYR 36 9.716 11.915 -6.447
252 HD2 TYR 36 HD1 TYR 36 6.696 11.096 -3.497
253 HE1 TYR 36 HE2 TYR 36 8.025 11.702 -8.247
254 HE2 TYR 36 HE1 TYR 36 4.996 10.885 -5.287
255 HH TYR 36 HH TYR 36 4.582 10.967 -7.541
256 H LEU 37 H LEU 37 12.979 10.254 -4.241
257 HA LEU 37 HA LEU 37 13.940 10.082 -1.638
258 HB2 LEU 37 HB2 LEU 37 15.363 10.969 -4.195
259 HB3 LEU 37 HB3 LEU 37 16.165 10.470 -2.693
260 HG LEU 37 HG LEU 37 14.321 8.710 -4.374
261 HD11 LEU 37 1HD1 LEU 37 17.350 8.705 -4.027
262 HD12 LEU 37 2HD1 LEU 37 16.405 7.518 -4.957
263 HD13 LEU 37 3HD1 LEU 37 16.469 9.214 -5.488
264 HD21 LEU 37 3HD2 LEU 37 16.061 8.100 -1.941
265 HD22 LEU 37 1HD2 LEU 37 14.281 8.079 -1.989
266 HD23 LEU 37 2HD2 LEU 37 15.207 6.888 -2.921
267 H LEU 38 H LEU 38 13.847 12.940 -3.948
268 HA LEU 38 HA LEU 38 15.004 14.537 -1.797
269 HB2 LEU 38 HB2 LEU 38 15.936 14.921 -4.012
270 HB3 LEU 38 HB3 LEU 38 14.318 15.233 -4.670
271 HG LEU 38 HG LEU 38 14.083 17.192 -3.150
272 HD11 LEU 38 1HD1 LEU 38 16.972 16.541 -2.420
273 HD12 LEU 38 2HD1 LEU 38 16.115 18.040 -1.989
274 HD13 LEU 38 3HD1 LEU 38 15.570 16.489 -1.322
275 HD21 LEU 38 3HD2 LEU 38 16.609 17.200 -4.848
276 HD22 LEU 38 1HD2 LEU 38 14.952 17.468 -5.441
277 HD23 LEU 38 2HD2 LEU 38 15.695 18.635 -4.325
278 H LYS 39 H LYS 39 13.448 14.752 -0.251
279 HA LYS 39 HA LYS 39 10.846 15.777 -1.180
280 HB2 LYS 39 HB2 LYS 39 11.508 14.620 1.536
281 HB3 LYS 39 HB3 LYS 39 9.962 15.327 1.031
282 HG2 LYS 39 HG2 LYS 39 9.799 13.573 -0.759
283 HG3 LYS 39 HG3 LYS 39 11.293 12.849 -0.098
284 HD2 LYS 39 HD2 LYS 39 10.218 12.531 2.075
285 HD3 LYS 39 HD3 LYS 39 8.738 13.323 1.493
286 HE2 LYS 39 HE2 LYS 39 8.468 11.534 -0.207
287 HE3 LYS 39 HE3 LYS 39 9.927 10.734 0.417
288 HZ1 LYS 39 HZ1 LYS 39 7.934 9.802 1.338
289 HZ2 LYS 39 HZ2 LYS 39 7.479 11.266 1.951
290 HZ3 LYS 39 HZ3 LYS 39 8.831 10.515 2.523
291 H TYR 40 H TYR 40 10.800 17.910 -1.086
292 HA TYR 40 HA TYR 40 12.685 19.526 0.240
293 HB2 TYR 40 HB2 TYR 40 9.914 20.177 -0.856
294 HB3 TYR 40 HB3 TYR 40 11.128 21.365 -0.352
295 HD1 TYR 40 HD1 TYR 40 10.299 18.762 -2.860
296 HD2 TYR 40 HD2 TYR 40 13.058 21.856 -1.721
297 HE1 TYR 40 HE1 TYR 40 11.370 18.618 -5.092
298 HE2 TYR 40 HE2 TYR 40 14.135 21.726 -3.951
299 HH TYR 40 HH TYR 40 13.025 19.418 -6.467
300 H ASP 41 H ASP 41 9.296 18.512 0.948
301 HA ASP 41 HA ASP 41 8.873 20.106 3.202
302 HB2 ASP 41 HB2 ASP 41 7.654 17.398 2.547
303 HB3 ASP 41 HB3 ASP 41 7.012 18.610 3.674
304 H GLU 42 H GLU 42 10.143 16.702 2.941
305 HA GLU 42 HA GLU 42 10.362 16.603 5.833
306 HB2 GLU 42 HB2 GLU 42 11.200 14.554 3.793
307 HB3 GLU 42 HB3 GLU 42 11.268 14.389 5.558
308 HG2 GLU 42 HG2 GLU 42 8.804 14.745 5.664
309 HG3 GLU 42 HG3 GLU 42 8.756 14.813 3.892
310 H GLU 43 H GLU 43 12.205 16.447 7.037
311 HA GLU 43 HA GLU 43 14.471 17.795 5.779
312 HB2 GLU 43 HB2 GLU 43 13.880 17.287 8.708
313 HB3 GLU 43 HB3 GLU 43 15.290 18.148 8.051
314 HG2 GLU 43 HG2 GLU 43 13.782 19.804 6.992
315 HG3 GLU 43 HG3 GLU 43 12.378 18.958 7.670
316 H TRP 44 H TRP 44 16.238 16.914 5.322
317 HA TRP 44 HA TRP 44 17.793 15.420 4.830
318 HB2 TRP 44 HB2 TRP 44 17.634 15.003 7.782
319 HB3 TRP 44 HB3 TRP 44 18.830 14.230 6.772
320 HD1 TRP 44 HD1 TRP 44 18.389 17.508 5.293
321 HE1 TRP 44 HE1 TRP 44 20.163 19.163 6.053
322 HE3 TRP 44 HE3 TRP 44 20.235 14.915 9.300
323 HZ2 TRP 44 HZ2 TRP 44 22.163 19.349 8.141
324 HZ3 TRP 44 HZ3 TRP 44 22.075 15.861 10.649
325 HH2 TRP 44 HH2 TRP 44 23.047 18.069 10.084
326 H TYR 45 H TYR 45 15.277 14.490 4.035
327 HA TYR 45 HA TYR 45 14.979 11.774 4.818
328 HB2 TYR 45 HB2 TYR 45 13.138 13.086 3.887
329 HB3 TYR 45 HB3 TYR 45 13.971 13.144 2.323
330 HD1 TYR 45 HD1 TYR 45 13.141 10.553 4.923
331 HD2 TYR 45 HD2 TYR 45 13.212 11.589 0.759
332 HE1 TYR 45 HE1 TYR 45 12.214 8.328 4.366
333 HE2 TYR 45 HE2 TYR 45 12.338 9.345 0.174
334 HH TYR 45 HH TYR 45 11.647 7.308 0.975
335 HA PRO 46 HA PRO 46 17.582 10.573 1.025
336 HB2 PRO 46 HB2 PRO 46 19.517 12.313 0.092
337 HB3 PRO 46 HB3 PRO 46 17.878 12.118 -0.620
338 HG2 PRO 46 HG2 PRO 46 18.839 14.207 1.334
339 HG3 PRO 46 HG3 PRO 46 17.803 14.431 -0.111
340 HD2 PRO 46 HD2 PRO 46 16.778 14.298 2.409
341 HD3 PRO 46 HD3 PRO 46 15.905 13.586 1.015
342 H GLU 47 H GLU 47 18.980 12.778 3.498
343 HA GLU 47 HA GLU 47 21.409 11.386 3.786
344 HB2 GLU 47 HB2 GLU 47 19.961 13.276 5.597
345 HB3 GLU 47 HB3 GLU 47 21.460 12.455 6.035
346 HG2 GLU 47 HG2 GLU 47 22.179 14.519 5.229
347 HG3 GLU 47 HG3 GLU 47 22.478 13.398 3.894
348 H GLU 48 H GLU 48 18.167 10.916 5.324
349 HA GLU 48 HA GLU 48 19.097 9.027 7.201
350 HB2 GLU 48 HB2 GLU 48 16.378 9.300 5.930
351 HB3 GLU 48 HB3 GLU 48 16.785 8.141 7.208
352 HG2 GLU 48 HG2 GLU 48 17.360 9.942 8.739
353 HG3 GLU 48 HG3 GLU 48 17.109 11.151 7.472
354 H LEU 49 H LEU 49 17.870 8.709 3.793
355 HA LEU 49 HA LEU 49 18.021 5.868 3.803
356 HB2 LEU 49 HB2 LEU 49 18.038 7.708 1.433
357 HB3 LEU 49 HB3 LEU 49 17.757 5.958 1.433
358 HG LEU 49 HG LEU 49 16.020 8.024 2.858
359 HD11 LEU 49 1HD1 LEU 49 15.577 6.429 0.300
360 HD12 LEU 49 2HD1 LEU 49 14.378 7.484 1.084
361 HD13 LEU 49 3HD1 LEU 49 15.865 8.182 0.409
362 HD21 LEU 49 3HD2 LEU 49 15.679 5.023 2.430
363 HD22 LEU 49 1HD2 LEU 49 15.953 5.842 3.988
364 HD23 LEU 49 2HD2 LEU 49 14.441 6.111 3.099
365 H LEU 50 H LEU 50 20.430 8.367 2.865
366 HA LEU 50 HA LEU 50 22.230 6.494 1.734
367 HB2 LEU 50 HB2 LEU 50 22.690 9.278 2.845
368 HB3 LEU 50 HB3 LEU 50 23.935 8.305 2.038
369 HG LEU 50 HG LEU 50 21.284 9.042 0.733
370 HD11 LEU 50 1HD1 LEU 50 24.031 10.341 0.490
371 HD12 LEU 50 2HD1 LEU 50 22.604 10.735 -0.498
372 HD13 LEU 50 3HD1 LEU 50 22.594 11.068 1.248
373 HD21 LEU 50 3HD2 LEU 50 23.915 7.958 -0.360
374 HD22 LEU 50 1HD2 LEU 50 22.382 7.062 -0.236
375 HD23 LEU 50 2HD2 LEU 50 22.513 8.443 -1.341
376 H THR 51 H THR 51 23.670 5.181 2.531
377 HA THR 51 HA THR 51 23.982 4.755 5.308
378 HB THR 51 HB THR 51 25.560 3.777 2.924
379 HG1 THR 51 HG1 THR 51 24.203 1.959 3.233
380 HG21 THR 51 1HG2 THR 51 25.392 2.787 5.803
381 HG22 THR 51 2HG2 THR 51 26.224 1.951 4.471
382 HG23 THR 51 3HG2 THR 51 26.813 3.532 5.029
383 H ASP 52 H ASP 52 25.974 6.428 2.763
384 HA ASP 52 HA ASP 52 27.699 7.434 4.928
385 HB2 ASP 52 HB2 ASP 52 28.395 7.082 1.988
386 HB3 ASP 52 HB3 ASP 52 29.438 7.786 3.242
387 H GLY 53 H GLY 53 27.606 9.610 5.233
388 HA2 GLY 53 HA2 GLY 53 26.002 11.175 3.368
389 HA3 GLY 53 HA3 GLY 53 26.333 11.526 5.061
390 H GLU 54 H GLU 54 29.204 10.588 3.229
391 HA GLU 54 HA GLU 54 30.467 13.024 3.763
392 HB2 GLU 54 HB2 GLU 54 31.674 10.897 3.333
393 HB3 GLU 54 HB3 GLU 54 31.175 10.970 1.629
394 HG2 GLU 54 HG2 GLU 54 32.361 13.120 1.363
395 HG3 GLU 54 HG3 GLU 54 32.805 13.099 3.079
396 H ASP 55 H ASP 55 28.956 11.880 0.632
397 HA ASP 55 HA ASP 55 29.748 14.186 -0.801
398 HB2 ASP 55 HB2 ASP 55 27.354 12.386 -1.318
399 HB3 ASP 55 HB3 ASP 55 28.094 13.526 -2.459
400 H ASP 56 H ASP 56 26.634 13.331 0.871
401 HA ASP 56 HA ASP 56 25.661 16.017 0.319
402 HB2 ASP 56 HB2 ASP 56 24.240 13.648 1.550
403 HB3 ASP 56 HB3 ASP 56 23.535 15.242 1.225
404 H VAL 57 H VAL 57 27.673 16.701 1.783
405 HA VAL 57 HA VAL 57 26.327 17.423 4.266
406 HB VAL 57 HB VAL 57 27.698 15.380 4.795
407 HG11 VAL 57 1HG1 VAL 57 30.002 17.356 4.596
408 HG12 VAL 57 2HG1 VAL 57 30.081 15.640 5.050
409 HG13 VAL 57 3HG1 VAL 57 29.677 16.111 3.381
410 HG21 VAL 57 3HG2 VAL 57 28.351 17.965 6.252
411 HG22 VAL 57 1HG2 VAL 57 26.868 17.003 6.464
412 HG23 VAL 57 2HG2 VAL 57 28.448 16.321 6.908
413 H PHE 58 H PHE 58 27.291 19.352 5.196
414 HA PHE 58 HA PHE 58 28.263 21.169 3.213
415 HB2 PHE 58 HB2 PHE 58 28.000 21.525 6.211
416 HB3 PHE 58 HB3 PHE 58 28.326 22.797 5.024
417 HD1 PHE 58 HD2 PHE 58 26.574 23.574 3.492
418 HD2 PHE 58 HD1 PHE 58 25.783 20.524 6.417
419 HE1 PHE 58 HE2 PHE 58 24.135 23.870 3.143
420 HE2 PHE 58 HE1 PHE 58 23.346 20.820 6.068
421 HZ PHE 58 HZ PHE 58 22.521 22.494 4.431
422 H ASP 59 H ASP 59 30.339 22.292 3.364
423 HA ASP 59 HA ASP 59 32.513 20.537 3.657
424 HB2 ASP 59 HB2 ASP 59 32.479 22.383 2.050
425 HB3 ASP 59 HB3 ASP 59 32.520 23.555 3.381
426 HA PRO 60 HA PRO 60 33.859 22.749 7.631
427 HB2 PRO 60 HB2 PRO 60 31.258 23.454 8.924
428 HB3 PRO 60 HB3 PRO 60 32.814 24.350 8.961
429 HG2 PRO 60 HG2 PRO 60 30.752 25.215 7.408
430 HG3 PRO 60 HG3 PRO 60 32.436 25.239 6.785
431 HD2 PRO 60 HD2 PRO 60 30.280 23.177 6.263
432 HD3 PRO 60 HD3 PRO 60 31.391 23.964 5.097
433 H ASP 61 H ASP 61 30.965 20.634 7.520
434 HA ASP 61 HA ASP 61 32.032 19.378 9.965
435 HB2 ASP 61 HB2 ASP 61 29.259 19.090 8.720
436 HB3 ASP 61 HB3 ASP 61 29.830 18.319 10.214
437 H LEU 62 H LEU 62 33.052 17.454 9.704
438 HA LEU 62 HA LEU 62 32.392 15.943 7.259
439 HB2 LEU 62 HB2 LEU 62 35.024 15.905 8.733
440 HB3 LEU 62 HB3 LEU 62 34.567 14.890 7.350
441 HG LEU 62 HG LEU 62 34.692 17.943 7.335
442 HD11 LEU 62 1HD1 LEU 62 36.552 15.846 6.138
443 HD12 LEU 62 2HD1 LEU 62 36.687 17.606 5.908
444 HD13 LEU 62 3HD1 LEU 62 36.916 16.903 7.524
445 HD21 LEU 62 3HD2 LEU 62 34.234 15.918 5.098
446 HD22 LEU 62 1HD2 LEU 62 33.049 17.098 5.708
447 HD23 LEU 62 2HD2 LEU 62 34.501 17.660 4.863
448 H ASP 63 H ASP 63 31.257 14.241 7.620
449 HA ASP 63 HA ASP 63 30.475 13.270 10.106
450 HB2 ASP 63 HB2 ASP 63 30.400 12.033 7.329
451 HB3 ASP 63 HB3 ASP 63 29.730 11.244 8.755
452 H MET 64 H MET 64 32.981 12.160 7.794
453 HA MET 64 HA MET 64 33.601 9.722 8.997
454 HB2 MET 64 HB2 MET 64 35.363 11.634 7.399
455 HB3 MET 64 HB3 MET 64 35.710 9.921 7.729
456 HG2 MET 64 HG2 MET 64 33.633 9.275 6.558
457 HG3 MET 64 HG3 MET 64 33.272 10.977 6.246
458 HE1 MET 64 HE1 MET 64 35.595 7.946 5.500
459 HE2 MET 64 HE2 MET 64 36.775 8.617 4.346
460 HE3 MET 64 HE3 MET 64 36.792 9.147 6.044
461 H GLU 65 H GLU 65 35.019 13.032 9.511
462 HA GLU 65 HA GLU 65 37.009 12.144 11.302
463 HB2 GLU 65 HB2 GLU 65 35.776 14.891 11.034
464 HB3 GLU 65 HB3 GLU 65 37.254 14.471 11.929
465 HG2 GLU 65 HG2 GLU 65 38.253 13.603 9.813
466 HG3 GLU 65 HG3 GLU 65 36.805 14.133 8.935
467 H VAL 66 H VAL 66 33.664 13.425 11.974
468 HA VAL 66 HA VAL 66 34.361 12.977 14.810
469 HB VAL 66 HB VAL 66 32.111 14.624 13.641
470 HG11 VAL 66 1HG1 VAL 66 33.169 14.280 16.482
471 HG12 VAL 66 2HG1 VAL 66 31.904 15.427 15.980
472 HG13 VAL 66 3HG1 VAL 66 31.612 13.679 15.869
473 HG21 VAL 66 3HG2 VAL 66 34.772 15.426 14.895
474 HG22 VAL 66 1HG2 VAL 66 34.315 15.636 13.189
475 HG23 VAL 66 2HG2 VAL 66 33.461 16.545 14.453
476 H VAL 67 H VAL 67 33.558 11.332 15.841
477 HA VAL 67 HA VAL 67 31.938 9.350 14.686
478 HB VAL 67 HB VAL 67 32.689 9.919 17.575
479 HG11 VAL 67 1HG1 VAL 67 31.568 7.417 16.242
480 HG12 VAL 67 2HG1 VAL 67 32.171 7.511 17.912
481 HG13 VAL 67 3HG1 VAL 67 30.732 8.436 17.440
482 HG21 VAL 67 3HG2 VAL 67 33.898 8.075 15.469
483 HG22 VAL 67 1HG2 VAL 67 34.638 9.563 16.102
484 HG23 VAL 67 2HG2 VAL 67 34.399 8.166 17.173
485 H PHE 68 H PHE 68 31.285 12.034 17.033
486 HA PHE 68 HA PHE 68 28.558 11.269 17.414
487 HB2 PHE 68 HB2 PHE 68 29.956 13.864 18.104
488 HB3 PHE 68 HB3 PHE 68 28.350 13.350 18.649
489 HD1 PHE 68 HD1 PHE 68 31.987 12.794 18.967
490 HD2 PHE 68 HD2 PHE 68 28.090 11.611 20.344
491 HE1 PHE 68 HE1 PHE 68 33.024 11.604 20.880
492 HE2 PHE 68 HE2 PHE 68 29.128 10.424 22.259
493 HZ PHE 68 HZ PHE 68 31.595 10.421 22.528
494 H GLU 69 H GLU 69 26.713 12.252 16.738
495 HA GLU 69 HA GLU 69 25.281 13.063 15.252
496 HB2 GLU 69 HB2 GLU 69 27.175 15.401 15.028
497 HB3 GLU 69 HB3 GLU 69 25.469 15.342 14.530
498 HG2 GLU 69 HG2 GLU 69 24.807 14.855 16.868
499 HG3 GLU 69 HG3 GLU 69 26.509 14.947 17.365
500 H THR 70 H THR 70 26.986 11.082 14.139
501 HA THR 70 HA THR 70 27.788 12.030 11.545
502 HB THR 70 HB THR 70 27.507 9.252 12.688
503 HG1 THR 70 HG1 THR 70 29.790 9.438 12.620
504 HG21 THR 70 1HG2 THR 70 28.570 10.242 10.018
505 HG22 THR 70 2HG2 THR 70 28.828 8.602 10.658
506 HG23 THR 70 3HG2 THR 70 27.185 9.160 10.274
507 H GLN 71 H GLN 71 26.487 12.034 9.723
508 HA GLN 71 HA GLN 71 23.659 11.699 10.072
509 HB2 GLN 71 HB2 GLN 71 25.183 12.072 7.471
510 HB3 GLN 71 HB3 GLN 71 23.453 12.304 7.747
511 HG2 GLN 71 HG2 GLN 71 24.003 14.202 9.285
512 HG3 GLN 71 HG3 GLN 71 25.719 13.995 8.872
513 HE21 GLN 71 1HE2 GLN 71 25.846 13.609 6.215
514 HE22 GLN 71 2HE2 GLN 71 25.100 14.916 5.322
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