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 |
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|
524419 |
2lit   |
17904 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 THR -5 H1 THR -5 14.502 -4.556 -8.572
2 H2 THR -5 H2 THR -5 13.286 -4.904 -7.437
3 H3 THR -5 H3 THR -5 13.656 -6.024 -8.659
4 HA THR -5 HA THR -5 14.732 -6.937 -6.856
5 HB THR -5 HB THR -5 17.044 -6.738 -7.352
6 HG1 THR -5 HG1 THR -5 16.681 -4.270 -8.628
7 HG21 THR -5 HG21 THR -5 16.870 -7.296 -9.531
8 HG22 THR -5 HG22 THR -5 16.319 -5.680 -9.974
9 HG23 THR -5 HG23 THR -5 15.162 -6.878 -9.393
10 H GLU -4 H GLU -4 14.613 -3.455 -6.783
11 HA GLU -4 HA GLU -4 16.106 -2.934 -4.431
12 HB2 GLU -4 HB2 GLU -4 15.134 -1.190 -5.947
13 HB3 GLU -4 HB3 GLU -4 13.542 -1.558 -5.283
14 HG2 GLU -4 HG2 GLU -4 14.404 -1.015 -3.006
15 HG3 GLU -4 HG3 GLU -4 15.942 -0.544 -3.732
16 H PHE -3 H PHE -3 12.823 -4.163 -4.855
17 HA PHE -3 HA PHE -3 12.493 -4.241 -1.898
18 HB2 PHE -3 HB2 PHE -3 10.554 -3.309 -2.850
19 HB3 PHE -3 HB3 PHE -3 10.579 -4.421 -4.218
20 HD1 PHE -3 HD1 PHE -3 10.890 -5.088 -0.536
21 HD2 PHE -3 HD2 PHE -3 8.591 -5.651 -4.117
22 HE1 PHE -3 HE1 PHE -3 9.385 -6.636 0.674
23 HE2 PHE -3 HE2 PHE -3 7.081 -7.197 -2.902
24 HZ PHE -3 HZ PHE -3 7.477 -7.687 -0.506
25 H LYS -2 H LYS -2 12.595 -6.163 -0.828
26 HA LYS -2 HA LYS -2 12.562 -8.669 -2.450
27 HB2 LYS -2 HB2 LYS -2 14.866 -8.043 -1.666
28 HB3 LYS -2 HB3 LYS -2 14.278 -8.152 -0.007
29 HG2 LYS -2 HG2 LYS -2 13.620 -10.511 -0.414
30 HG3 LYS -2 HG3 LYS -2 14.281 -10.396 -2.045
31 HD2 LYS -2 HD2 LYS -2 16.498 -9.784 -1.035
32 HD3 LYS -2 HD3 LYS -2 15.809 -10.107 0.556
33 HE2 LYS -2 HE2 LYS -2 15.229 -12.423 -0.250
34 HE3 LYS -2 HE3 LYS -2 16.134 -12.076 -1.724
35 HZ1 LYS -2 HZ1 LYS -2 17.859 -12.861 -0.564
36 HZ2 LYS -2 HZ2 LYS -2 17.092 -12.652 0.938
37 HZ3 LYS -2 HZ3 LYS -2 17.869 -11.341 0.188
38 H ALA -1 H ALA -1 11.094 -10.145 -1.720
39 HA ALA -1 HA ALA -1 9.273 -9.518 0.375
40 HB1 ALA -1 HB1 ALA -1 9.938 -12.172 -0.925
41 HB2 ALA -1 HB2 ALA -1 8.641 -11.067 -1.381
42 HB3 ALA -1 HB3 ALA -1 8.574 -11.918 0.164
43 H GLY 1 H GLY 1 10.266 -9.121 2.354
44 HA2 GLY 1 HA2 GLY 1 12.233 -11.013 3.440
45 HA3 GLY 1 HA3 GLY 1 11.628 -9.567 4.251
46 H SER 2 H SER 2 10.222 -9.907 5.904
47 HA SER 2 HA SER 2 8.743 -12.514 5.958
48 HB2 SER 2 HB2 SER 2 10.543 -12.347 7.686
49 HB3 SER 2 HB3 SER 2 9.745 -10.915 8.332
50 HG SER 2 HG SER 2 9.061 -13.587 8.512
51 H ALA 3 H ALA 3 6.560 -12.293 6.021
52 HA ALA 3 HA ALA 3 5.336 -9.679 5.996
53 HB1 ALA 3 HB1 ALA 3 4.117 -11.277 4.796
54 HB2 ALA 3 HB2 ALA 3 3.195 -11.160 6.295
55 HB3 ALA 3 HB3 ALA 3 4.311 -12.505 6.047
56 H LYS 4 H LYS 4 5.826 -12.139 8.474
57 HA LYS 4 HA LYS 4 4.034 -11.161 10.444
58 HB2 LYS 4 HB2 LYS 4 6.776 -12.368 10.903
59 HB3 LYS 4 HB3 LYS 4 5.427 -12.356 12.035
60 HG2 LYS 4 HG2 LYS 4 4.087 -13.691 10.439
61 HG3 LYS 4 HG3 LYS 4 5.470 -13.725 9.343
62 HD2 LYS 4 HD2 LYS 4 5.444 -15.796 10.622
63 HD3 LYS 4 HD3 LYS 4 6.813 -14.819 11.153
64 HE2 LYS 4 HE2 LYS 4 5.825 -14.292 13.188
65 HE3 LYS 4 HE3 LYS 4 4.189 -14.512 12.569
66 HZ1 LYS 4 HZ1 LYS 4 6.168 -16.630 13.199
67 HZ2 LYS 4 HZ2 LYS 4 4.701 -16.920 12.391
68 HZ3 LYS 4 HZ3 LYS 4 4.695 -16.334 13.986
69 H LYS 5 H LYS 5 7.453 -10.402 9.875
70 HA LYS 5 HA LYS 5 7.740 -8.507 11.979
71 HB2 LYS 5 HB2 LYS 5 9.133 -8.662 9.290
72 HB3 LYS 5 HB3 LYS 5 9.656 -7.646 10.631
73 HG2 LYS 5 HG2 LYS 5 9.845 -9.687 12.056
74 HG3 LYS 5 HG3 LYS 5 9.444 -10.668 10.647
75 HD2 LYS 5 HD2 LYS 5 11.410 -9.686 9.457
76 HD3 LYS 5 HD3 LYS 5 11.841 -8.835 10.940
77 HE2 LYS 5 HE2 LYS 5 11.423 -11.511 11.708
78 HE3 LYS 5 HE3 LYS 5 12.353 -11.590 10.211
79 HZ1 LYS 5 HZ1 LYS 5 13.803 -9.815 11.263
80 HZ2 LYS 5 HZ2 LYS 5 13.935 -11.387 11.895
81 HZ3 LYS 5 HZ3 LYS 5 13.045 -10.204 12.729
82 H GLY 6 H GLY 6 6.823 -8.032 8.554
83 HA2 GLY 6 HA2 GLY 6 6.514 -5.179 8.820
84 HA3 GLY 6 HA3 GLY 6 5.857 -6.148 7.510
85 H ALA 7 H ALA 7 4.375 -7.939 9.311
86 HA ALA 7 HA ALA 7 1.891 -6.577 9.404
87 HB1 ALA 7 HB1 ALA 7 2.250 -9.087 9.517
88 HB2 ALA 7 HB2 ALA 7 1.068 -8.459 10.666
89 HB3 ALA 7 HB3 ALA 7 2.693 -8.873 11.211
90 H THR 8 H THR 8 4.357 -7.060 11.914
91 HA THR 8 HA THR 8 2.898 -5.802 14.041
92 HB THR 8 HB THR 8 5.058 -5.655 15.144
93 HG1 THR 8 HG1 THR 8 5.913 -5.633 12.523
94 HG21 THR 8 HG21 THR 8 5.476 -8.112 13.523
95 HG22 THR 8 HG22 THR 8 3.942 -7.966 14.381
96 HG23 THR 8 HG23 THR 8 5.460 -7.914 15.276
97 H LEU 9 H LEU 9 5.245 -4.637 11.680
98 HA LEU 9 HA LEU 9 5.325 -1.912 12.510
99 HB2 LEU 9 HB2 LEU 9 5.863 -3.334 9.919
100 HB3 LEU 9 HB3 LEU 9 6.005 -1.588 10.034
101 HG LEU 9 HG LEU 9 7.335 -3.284 12.113
102 HD11 LEU 9 HD11 LEU 9 8.163 -4.372 10.188
103 HD12 LEU 9 HD12 LEU 9 9.387 -3.159 10.561
104 HD13 LEU 9 HD13 LEU 9 8.226 -2.873 9.264
105 HD21 LEU 9 HD21 LEU 9 8.635 -1.386 12.457
106 HD22 LEU 9 HD22 LEU 9 7.133 -0.644 11.907
107 HD23 LEU 9 HD23 LEU 9 8.477 -0.850 10.784
108 H PHE 10 H PHE 10 3.333 -3.574 10.073
109 HA PHE 10 HA PHE 10 1.850 -1.248 9.258
110 HB2 PHE 10 HB2 PHE 10 2.017 -3.454 8.010
111 HB3 PHE 10 HB3 PHE 10 0.917 -4.134 9.207
112 HD1 PHE 10 HD2 PHE 10 -1.424 -3.300 9.386
113 HD2 PHE 10 HD1 PHE 10 1.247 -1.931 6.312
114 HE1 PHE 10 HE2 PHE 10 -3.351 -2.394 8.112
115 HE2 PHE 10 HE1 PHE 10 -0.680 -1.029 5.039
116 HZ PHE 10 HZ PHE 10 -2.981 -1.259 5.934
117 H LYS 11 H LYS 11 1.260 -3.812 11.632
118 HA LYS 11 HA LYS 11 -1.334 -3.066 12.453
119 HB2 LYS 11 HB2 LYS 11 -0.177 -5.173 13.094
120 HB3 LYS 11 HB3 LYS 11 0.850 -4.241 14.182
121 HG2 LYS 11 HG2 LYS 11 -1.176 -3.449 15.385
122 HG3 LYS 11 HG3 LYS 11 -2.171 -4.454 14.329
123 HD2 LYS 11 HD2 LYS 11 -0.870 -6.454 15.095
124 HD3 LYS 11 HD3 LYS 11 -0.031 -5.416 16.248
125 HE2 LYS 11 HE2 LYS 11 -1.720 -5.830 17.686
126 HE3 LYS 11 HE3 LYS 11 -2.735 -4.834 16.643
127 HZ1 LYS 11 HZ1 LYS 11 -3.910 -6.640 16.199
128 HZ2 LYS 11 HZ2 LYS 11 -2.841 -7.621 17.083
129 HZ3 LYS 11 HZ3 LYS 11 -2.556 -7.319 15.436
130 H THR 12 H THR 12 1.807 -1.792 13.499
131 HA THR 12 HA THR 12 0.362 0.028 15.366
132 HB THR 12 HB THR 12 2.522 0.394 16.427
133 HG1 THR 12 HG1 THR 12 4.339 -0.702 15.597
134 HG21 THR 12 HG21 THR 12 2.318 -2.565 15.871
135 HG22 THR 12 HG22 THR 12 1.124 -1.719 16.855
136 HG23 THR 12 HG23 THR 12 2.811 -1.765 17.363
137 H ARG 13 H ARG 13 1.209 0.228 12.203
138 HA ARG 13 HA ARG 13 1.549 3.149 12.473
139 HB2 ARG 13 HB2 ARG 13 3.564 1.414 11.023
140 HB3 ARG 13 HB3 ARG 13 3.511 3.175 10.938
141 HG2 ARG 13 HG2 ARG 13 3.732 3.224 13.450
142 HG3 ARG 13 HG3 ARG 13 4.002 1.482 13.401
143 HD2 ARG 13 HD2 ARG 13 5.909 1.882 11.819
144 HD3 ARG 13 HD3 ARG 13 5.696 3.614 12.074
145 HE ARG 13 HE ARG 13 6.850 1.720 13.993
146 HH11 ARG 13 HH21 ARG 13 5.321 4.753 13.407
147 HH12 ARG 13 HH22 ARG 13 5.936 5.493 14.847
148 HH21 ARG 13 HH11 ARG 13 7.664 2.669 15.877
149 HH22 ARG 13 HH12 ARG 13 7.264 4.313 16.245
150 H CYS 14 H CYS 14 -0.554 1.350 11.293
151 HA CYS 14 HA CYS 14 -0.788 2.835 8.782
152 HB2 CYS 14 HB2 CYS 14 0.633 0.650 8.428
153 HB3 CYS 14 HB3 CYS 14 -0.935 -0.140 8.488
154 H LEU 15 H LEU 15 -2.203 1.776 11.450
155 HA LEU 15 HA LEU 15 -4.754 0.952 10.188
156 HB2 LEU 15 HB2 LEU 15 -3.702 0.940 13.003
157 HB3 LEU 15 HB3 LEU 15 -5.430 0.763 12.686
158 HG LEU 15 HG LEU 15 -5.088 -1.211 11.390
159 HD11 LEU 15 HD11 LEU 15 -3.184 -0.658 10.069
160 HD12 LEU 15 HD12 LEU 15 -2.713 -2.054 11.022
161 HD13 LEU 15 HD13 LEU 15 -2.170 -0.445 11.494
162 HD21 LEU 15 HD21 LEU 15 -3.659 -2.626 12.988
163 HD22 LEU 15 HD22 LEU 15 -5.016 -1.760 13.709
164 HD23 LEU 15 HD23 LEU 15 -3.376 -1.132 13.881
165 H GLN 16 H GLN 16 -3.304 3.824 10.864
166 HA GLN 16 HA GLN 16 -5.606 5.187 12.054
167 HB2 GLN 16 HB2 GLN 16 -4.289 7.218 11.781
168 HB3 GLN 16 HB3 GLN 16 -3.245 5.949 12.419
169 HG2 GLN 16 HG2 GLN 16 -2.456 5.475 10.104
170 HG3 GLN 16 HG3 GLN 16 -3.440 6.817 9.519
171 HE21 GLN 16 HE21 GLN 16 -2.647 8.961 9.836
172 HE22 GLN 16 HE22 GLN 16 -1.150 9.297 10.561
173 H CYS 17 H CYS 17 -5.231 3.836 9.131
174 HA CYS 17 HA CYS 17 -7.160 5.694 7.892
175 HB2 CYS 17 HB2 CYS 17 -4.402 5.145 6.800
176 HB3 CYS 17 HB3 CYS 17 -5.724 5.666 5.758
177 H HIS 18 H HIS 18 -5.072 3.324 6.291
178 HA HIS 18 HA HIS 18 -7.138 2.009 4.920
179 HB2 HIS 18 HB2 HIS 18 -4.462 0.942 5.853
180 HB3 HIS 18 HB3 HIS 18 -5.524 0.083 4.738
181 HD1 HIS 18 HD1 HIS 18 -5.798 1.044 2.356
182 HD2 HIS 18 HD2 HIS 18 -3.213 3.269 4.753
183 HE1 HIS 18 HE1 HIS 18 -4.609 2.669 0.812
184 H THR 19 H THR 19 -5.814 1.266 8.138
185 HA THR 19 HA THR 19 -6.549 -0.338 9.720
186 HB THR 19 HB THR 19 -9.135 0.851 8.681
187 HG1 THR 19 HG1 THR 19 -7.593 1.334 11.011
188 HG21 THR 19 HG21 THR 19 -9.557 0.008 11.284
189 HG22 THR 19 HG22 THR 19 -8.623 -1.315 10.585
190 HG23 THR 19 HG23 THR 19 -10.138 -0.814 9.836
191 H VAL 20 H VAL 20 -5.773 -1.807 7.664
192 HA VAL 20 HA VAL 20 -7.655 -3.246 6.152
193 HB VAL 20 HB VAL 20 -5.001 -4.070 7.322
194 HG11 VAL 20 HG11 VAL 20 -7.049 -5.657 5.894
195 HG12 VAL 20 HG12 VAL 20 -5.732 -6.196 6.938
196 HG13 VAL 20 HG13 VAL 20 -5.411 -5.786 5.253
197 HG21 VAL 20 HG21 VAL 20 -4.115 -3.179 5.437
198 HG22 VAL 20 HG22 VAL 20 -5.673 -2.375 5.237
199 HG23 VAL 20 HG23 VAL 20 -5.359 -3.907 4.422
200 H GLU 21 H GLU 21 -6.341 -4.073 9.373
201 HA GLU 21 HA GLU 21 -7.037 -5.816 10.836
202 HB2 GLU 21 HB2 GLU 21 -9.464 -4.082 10.332
203 HB3 GLU 21 HB3 GLU 21 -9.418 -5.318 11.590
204 HG2 GLU 21 HG2 GLU 21 -7.403 -3.066 11.345
205 HG3 GLU 21 HG3 GLU 21 -8.797 -3.033 12.425
206 H LYS 22 H LYS 22 -7.273 -6.524 7.939
207 HA LYS 22 HA LYS 22 -8.124 -8.282 6.659
208 HB2 LYS 22 HB2 LYS 22 -9.160 -9.279 9.331
209 HB3 LYS 22 HB3 LYS 22 -9.010 -10.229 7.854
210 HG2 LYS 22 HG2 LYS 22 -6.562 -9.758 7.842
211 HG3 LYS 22 HG3 LYS 22 -6.745 -8.931 9.390
212 HD2 LYS 22 HD2 LYS 22 -7.734 -11.047 10.319
213 HD3 LYS 22 HD3 LYS 22 -7.316 -11.845 8.803
214 HE2 LYS 22 HE2 LYS 22 -4.938 -11.197 9.151
215 HE3 LYS 22 HE3 LYS 22 -5.382 -10.500 10.709
216 HZ1 LYS 22 HZ1 LYS 22 -6.465 -12.982 10.802
217 HZ2 LYS 22 HZ2 LYS 22 -4.990 -12.525 11.512
218 HZ3 LYS 22 HZ3 LYS 22 -5.008 -13.251 9.976
219 H GLY 23 H GLY 23 -10.309 -6.576 8.795
220 HA2 GLY 23 HA2 GLY 23 -12.304 -6.405 6.699
221 HA3 GLY 23 HA3 GLY 23 -12.820 -7.458 8.019
222 H GLY 24 H GLY 24 -11.452 -4.197 7.476
223 HA2 GLY 24 HA2 GLY 24 -13.185 -3.236 9.721
224 HA3 GLY 24 HA3 GLY 24 -11.531 -2.659 9.522
225 HA PRO 25 HA PRO 25 -14.839 -0.099 7.139
226 HB2 PRO 25 HB2 PRO 25 -14.188 2.237 8.552
227 HB3 PRO 25 HB3 PRO 25 -15.622 1.228 8.811
228 HG2 PRO 25 HG2 PRO 25 -13.086 1.334 10.330
229 HG3 PRO 25 HG3 PRO 25 -14.728 0.980 10.888
230 HD2 PRO 25 HD2 PRO 25 -12.849 -0.962 10.575
231 HD3 PRO 25 HD3 PRO 25 -14.582 -1.265 10.324
232 H HIS 26 H HIS 26 -14.189 1.082 5.358
233 HA HIS 26 HA HIS 26 -11.467 1.153 4.582
234 HB2 HIS 26 HB2 HIS 26 -13.820 2.802 3.626
235 HB3 HIS 26 HB3 HIS 26 -12.243 2.795 2.842
236 HD1 HIS 26 HD1 HIS 26 -11.438 0.469 1.822
237 HD2 HIS 26 HD2 HIS 26 -15.428 0.578 3.034
238 HE1 HIS 26 HE1 HIS 26 -12.566 -1.537 0.761
239 HE2 HIS 26 HE2 HIS 26 -14.994 -1.481 1.494
240 H LYS 27 H LYS 27 -13.455 3.670 6.124
241 HA LYS 27 HA LYS 27 -12.823 5.693 7.121
242 HB2 LYS 27 HB2 LYS 27 -10.088 4.370 7.216
243 HB3 LYS 27 HB3 LYS 27 -10.554 5.822 8.093
244 HG2 LYS 27 HG2 LYS 27 -12.358 4.517 9.220
245 HG3 LYS 27 HG3 LYS 27 -11.759 3.062 8.421
246 HD2 LYS 27 HD2 LYS 27 -9.525 3.460 9.472
247 HD3 LYS 27 HD3 LYS 27 -10.221 4.817 10.356
248 HE2 LYS 27 HE2 LYS 27 -11.982 3.136 11.200
249 HE3 LYS 27 HE3 LYS 27 -10.889 1.884 10.607
250 HZ1 LYS 27 HZ1 LYS 27 -10.049 4.037 12.466
251 HZ2 LYS 27 HZ2 LYS 27 -9.180 2.641 12.035
252 HZ3 LYS 27 HZ3 LYS 27 -10.582 2.513 12.986
253 H VAL 28 H VAL 28 -10.048 6.843 6.701
254 HA VAL 28 HA VAL 28 -10.648 8.372 4.364
255 HB VAL 28 HB VAL 28 -8.061 7.994 5.884
256 HG11 VAL 28 HG11 VAL 28 -7.381 8.724 3.730
257 HG12 VAL 28 HG12 VAL 28 -7.496 10.204 4.683
258 HG13 VAL 28 HG13 VAL 28 -8.786 9.778 3.557
259 HG21 VAL 28 HG21 VAL 28 -8.677 10.364 6.600
260 HG22 VAL 28 HG22 VAL 28 -9.715 9.086 7.231
261 HG23 VAL 28 HG23 VAL 28 -10.258 10.075 5.876
262 H GLY 29 H GLY 29 -8.358 5.646 4.803
263 HA2 GLY 29 HA2 GLY 29 -7.899 5.704 1.855
264 HA3 GLY 29 HA3 GLY 29 -6.850 4.910 3.024
265 HA PRO 30 HA PRO 30 -10.184 2.057 1.000
266 HB2 PRO 30 HB2 PRO 30 -8.324 0.595 -0.483
267 HB3 PRO 30 HB3 PRO 30 -9.388 1.857 -1.126
268 HG2 PRO 30 HG2 PRO 30 -6.525 1.996 -0.374
269 HG3 PRO 30 HG3 PRO 30 -7.404 2.843 -1.657
270 HD2 PRO 30 HD2 PRO 30 -6.661 4.071 0.657
271 HD3 PRO 30 HD3 PRO 30 -8.128 4.528 -0.238
272 H ASN 31 H ASN 31 -10.401 -0.194 1.575
273 HA ASN 31 HA ASN 31 -9.277 -1.005 4.014
274 HB2 ASN 31 HB2 ASN 31 -11.258 -2.036 2.740
275 HB3 ASN 31 HB3 ASN 31 -10.055 -2.966 1.849
276 HD21 ASN 31 HD21 ASN 31 -11.156 -4.883 2.964
277 HD22 ASN 31 HD22 ASN 31 -10.655 -5.284 4.536
278 H LEU 32 H LEU 32 -7.975 -1.203 0.792
279 HA LEU 32 HA LEU 32 -5.833 -1.761 0.050
280 HB2 LEU 32 HB2 LEU 32 -5.224 -0.621 2.313
281 HB3 LEU 32 HB3 LEU 32 -5.002 -2.259 2.909
282 HG LEU 32 HG LEU 32 -3.370 -2.697 1.094
283 HD11 LEU 32 HD11 LEU 32 -4.310 0.007 0.298
284 HD12 LEU 32 HD12 LEU 32 -3.746 -1.330 -0.707
285 HD13 LEU 32 HD13 LEU 32 -2.581 -0.296 0.122
286 HD21 LEU 32 HD21 LEU 32 -2.529 -1.880 3.244
287 HD22 LEU 32 HD22 LEU 32 -2.834 -0.213 2.752
288 HD23 LEU 32 HD23 LEU 32 -1.595 -1.160 1.930
289 H HIS 33 H HIS 33 -8.024 -3.713 0.845
290 HA HIS 33 HA HIS 33 -6.352 -6.166 1.137
291 HB2 HIS 33 HB2 HIS 33 -8.779 -5.360 2.350
292 HB3 HIS 33 HB3 HIS 33 -9.190 -6.666 1.238
293 HD1 HIS 33 HD1 HIS 33 -6.624 -5.941 3.975
294 HD2 HIS 33 HD2 HIS 33 -8.603 -9.171 2.232
295 HE1 HIS 33 HE1 HIS 33 -5.951 -7.993 5.304
296 HE2 HIS 33 HE2 HIS 33 -7.162 -9.964 4.259
297 H GLY 34 H GLY 34 -7.597 -4.306 -1.260
298 HA2 GLY 34 HA2 GLY 34 -7.832 -6.665 -3.054
299 HA3 GLY 34 HA3 GLY 34 -9.139 -5.484 -3.054
300 H ILE 35 H ILE 35 -6.132 -3.958 -2.510
301 HA ILE 35 HA ILE 35 -6.270 -2.497 -4.952
302 HB ILE 35 HB ILE 35 -4.166 -2.853 -2.844
303 HG12 ILE 35 HG12 ILE 35 -5.729 -0.553 -4.059
304 HG13 ILE 35 HG13 ILE 35 -5.811 -1.170 -2.413
305 HG21 ILE 35 HG21 ILE 35 -2.793 -2.968 -4.828
306 HG22 ILE 35 HG22 ILE 35 -2.646 -1.337 -4.204
307 HG23 ILE 35 HG23 ILE 35 -3.688 -1.655 -5.589
308 HD11 ILE 35 HD11 ILE 35 -4.383 0.508 -1.903
309 HD12 ILE 35 HD12 ILE 35 -3.981 0.788 -3.594
310 HD13 ILE 35 HD13 ILE 35 -3.141 -0.468 -2.687
311 H PHE 36 H PHE 36 -4.791 -5.569 -4.196
312 HA PHE 36 HA PHE 36 -3.458 -5.612 -6.851
313 HB2 PHE 36 HB2 PHE 36 -3.409 -7.616 -4.572
314 HB3 PHE 36 HB3 PHE 36 -2.446 -7.720 -6.046
315 HD1 PHE 36 HD2 PHE 36 -3.034 -5.755 -2.958
316 HD2 PHE 36 HD1 PHE 36 -0.494 -6.359 -6.366
317 HE1 PHE 36 HE2 PHE 36 -1.322 -4.279 -1.939
318 HE2 PHE 36 HE1 PHE 36 1.221 -4.882 -5.349
319 HZ PHE 36 HZ PHE 36 0.807 -3.844 -3.135
320 H GLY 37 H GLY 37 -4.409 -6.641 -8.553
321 HA2 GLY 37 HA2 GLY 37 -5.719 -9.045 -8.682
322 HA3 GLY 37 HA3 GLY 37 -6.998 -7.948 -8.163
323 H ARG 38 H ARG 38 -7.745 -6.346 -9.624
324 HA ARG 38 HA ARG 38 -6.797 -6.697 -12.438
325 HB2 ARG 38 HB2 ARG 38 -9.053 -7.570 -12.145
326 HB3 ARG 38 HB3 ARG 38 -9.565 -6.075 -11.369
327 HG2 ARG 38 HG2 ARG 38 -10.325 -6.055 -13.671
328 HG3 ARG 38 HG3 ARG 38 -9.051 -4.853 -13.501
329 HD2 ARG 38 HD2 ARG 38 -7.438 -6.284 -14.545
330 HD3 ARG 38 HD3 ARG 38 -8.512 -7.679 -14.439
331 HE ARG 38 HE ARG 38 -8.655 -5.521 -16.434
332 HH11 ARG 38 HH21 ARG 38 -10.166 -8.163 -14.814
333 HH12 ARG 38 HH22 ARG 38 -11.314 -8.455 -16.077
334 HH21 ARG 38 HH11 ARG 38 -10.146 -5.887 -18.093
335 HH22 ARG 38 HH12 ARG 38 -11.303 -7.167 -17.933
336 H HIS 39 H HIS 39 -5.871 -4.897 -13.272
337 HA HIS 39 HA HIS 39 -5.114 -2.657 -13.340
338 HB2 HIS 39 HB2 HIS 39 -8.098 -2.180 -13.083
339 HB3 HIS 39 HB3 HIS 39 -6.920 -1.104 -13.834
340 HD1 HIS 39 HD1 HIS 39 -9.128 -1.958 -15.657
341 HD2 HIS 39 HD2 HIS 39 -5.693 -4.270 -15.159
342 HE1 HIS 39 HE1 HIS 39 -8.954 -3.436 -17.708
343 HE2 HIS 39 HE2 HIS 39 -6.867 -4.846 -17.417
344 H SER 40 H SER 40 -6.032 -0.320 -12.204
345 HA SER 40 HA SER 40 -5.624 -0.890 -9.322
346 HB2 SER 40 HB2 SER 40 -4.918 1.495 -9.207
347 HB3 SER 40 HB3 SER 40 -3.915 0.542 -10.285
348 HG SER 40 HG SER 40 -4.550 2.498 -11.260
349 H GLY 41 H GLY 41 -6.864 0.317 -7.759
350 HA2 GLY 41 HA2 GLY 41 -8.806 1.353 -6.939
351 HA3 GLY 41 HA3 GLY 41 -9.092 1.978 -8.557
352 H GLN 42 H GLN 42 -9.581 -0.802 -6.444
353 HA GLN 42 HA GLN 42 -11.847 -1.622 -8.214
354 HB2 GLN 42 HB2 GLN 42 -9.872 -3.514 -6.898
355 HB3 GLN 42 HB3 GLN 42 -11.280 -3.988 -7.846
356 HG2 GLN 42 HG2 GLN 42 -10.003 -3.891 -9.700
357 HG3 GLN 42 HG3 GLN 42 -9.842 -2.152 -9.446
358 HE21 GLN 42 HE21 GLN 42 -7.776 -1.390 -8.928
359 HE22 GLN 42 HE22 GLN 42 -6.468 -2.378 -8.485
360 H ALA 43 H ALA 43 -11.331 -0.260 -5.436
361 HA ALA 43 HA ALA 43 -12.506 -2.096 -3.521
362 HB1 ALA 43 HB1 ALA 43 -12.517 0.913 -3.275
363 HB2 ALA 43 HB2 ALA 43 -11.041 -0.026 -3.043
364 HB3 ALA 43 HB3 ALA 43 -12.431 -0.294 -1.990
365 H GLU 44 H GLU 44 -14.612 -2.667 -3.472
366 HA GLU 44 HA GLU 44 -16.616 -1.391 -5.101
367 HB2 GLU 44 HB2 GLU 44 -16.871 -3.341 -2.790
368 HB3 GLU 44 HB3 GLU 44 -18.202 -2.869 -3.848
369 HG2 GLU 44 HG2 GLU 44 -15.621 -4.162 -4.778
370 HG3 GLU 44 HG3 GLU 44 -17.156 -5.005 -4.569
371 H GLY 45 H GLY 45 -15.718 -1.130 -1.685
372 HA2 GLY 45 HA2 GLY 45 -17.958 0.736 -1.179
373 HA3 GLY 45 HA3 GLY 45 -16.807 0.151 0.026
374 H TYR 46 H TYR 46 -14.491 0.946 -0.327
375 HA TYR 46 HA TYR 46 -14.372 3.762 -0.257
376 HB2 TYR 46 HB2 TYR 46 -12.531 2.493 0.620
377 HB3 TYR 46 HB3 TYR 46 -12.254 1.705 -0.929
378 HD1 TYR 46 HD1 TYR 46 -11.985 4.910 0.920
379 HD2 TYR 46 HD2 TYR 46 -11.078 2.785 -2.697
380 HE1 TYR 46 HE1 TYR 46 -10.434 6.723 0.242
381 HE2 TYR 46 HE2 TYR 46 -9.530 4.586 -3.378
382 HH TYR 46 HH TYR 46 -9.332 7.149 -2.820
383 H SER 47 H SER 47 -13.887 5.329 -1.835
384 HA SER 47 HA SER 47 -14.103 4.375 -4.663
385 HB2 SER 47 HB2 SER 47 -14.955 7.033 -3.482
386 HB3 SER 47 HB3 SER 47 -15.128 6.553 -5.168
387 HG SER 47 HG SER 47 -17.023 6.222 -3.826
388 H TYR 48 H TYR 48 -12.785 5.416 -6.225
389 HA TYR 48 HA TYR 48 -10.374 6.734 -5.066
390 HB2 TYR 48 HB2 TYR 48 -10.804 5.249 -7.673
391 HB3 TYR 48 HB3 TYR 48 -9.312 6.097 -7.262
392 HD1 TYR 48 HD2 TYR 48 -11.631 3.410 -6.107
393 HD2 TYR 48 HD1 TYR 48 -7.693 5.107 -5.847
394 HE1 TYR 48 HE2 TYR 48 -10.878 1.460 -4.774
395 HE2 TYR 48 HE1 TYR 48 -6.940 3.156 -4.512
396 HH TYR 48 HH TYR 48 -8.892 0.318 -4.148
397 H THR 49 H THR 49 -9.451 8.539 -6.284
398 HA THR 49 HA THR 49 -11.370 10.534 -6.970
399 HB THR 49 HB THR 49 -9.567 11.899 -6.970
400 HG1 THR 49 HG1 THR 49 -7.940 11.655 -8.472
401 HG21 THR 49 HG21 THR 49 -7.844 9.438 -6.638
402 HG22 THR 49 HG22 THR 49 -8.901 10.028 -5.352
403 HG23 THR 49 HG23 THR 49 -7.593 11.045 -5.953
404 H ASP 50 H ASP 50 -10.844 7.819 -8.646
405 HA ASP 50 HA ASP 50 -11.598 7.243 -10.809
406 HB2 ASP 50 HB2 ASP 50 -12.828 9.609 -10.525
407 HB3 ASP 50 HB3 ASP 50 -11.638 10.079 -11.739
408 H ALA 51 H ALA 51 -9.111 9.656 -10.256
409 HA ALA 51 HA ALA 51 -7.811 9.526 -12.792
410 HB1 ALA 51 HB1 ALA 51 -7.145 11.224 -11.204
411 HB2 ALA 51 HB2 ALA 51 -5.749 10.180 -11.474
412 HB3 ALA 51 HB3 ALA 51 -6.713 10.003 -10.009
413 H ASN 52 H ASN 52 -7.440 7.571 -9.848
414 HA ASN 52 HA ASN 52 -5.339 5.869 -10.738
415 HB2 ASN 52 HB2 ASN 52 -6.335 5.984 -8.416
416 HB3 ASN 52 HB3 ASN 52 -7.696 5.040 -9.024
417 HD21 ASN 52 HD21 ASN 52 -6.954 3.339 -7.444
418 HD22 ASN 52 HD22 ASN 52 -5.675 2.314 -7.880
419 H ILE 53 H ILE 53 -8.833 5.775 -11.300
420 HA ILE 53 HA ILE 53 -8.855 3.213 -12.640
421 HB ILE 53 HB ILE 53 -10.828 5.485 -12.990
422 HG12 ILE 53 HG12 ILE 53 -10.657 5.164 -10.625
423 HG13 ILE 53 HG13 ILE 53 -12.076 4.247 -11.133
424 HG21 ILE 53 HG21 ILE 53 -12.044 3.990 -14.156
425 HG22 ILE 53 HG22 ILE 53 -11.875 2.783 -12.881
426 HG23 ILE 53 HG23 ILE 53 -10.639 2.923 -14.133
427 HD11 ILE 53 HD11 ILE 53 -9.336 3.210 -10.422
428 HD12 ILE 53 HD12 ILE 53 -10.477 2.240 -11.353
429 HD13 ILE 53 HD13 ILE 53 -10.891 2.762 -9.720
430 H LYS 54 H LYS 54 -8.725 6.580 -13.834
431 HA LYS 54 HA LYS 54 -8.938 6.007 -16.590
432 HB2 LYS 54 HB2 LYS 54 -7.370 8.181 -15.179
433 HB3 LYS 54 HB3 LYS 54 -7.696 8.154 -16.910
434 HG2 LYS 54 HG2 LYS 54 -10.141 8.080 -16.412
435 HG3 LYS 54 HG3 LYS 54 -9.763 8.238 -14.697
436 HD2 LYS 54 HD2 LYS 54 -8.571 10.376 -15.199
437 HD3 LYS 54 HD3 LYS 54 -9.096 10.235 -16.878
438 HE2 LYS 54 HE2 LYS 54 -11.117 10.101 -14.655
439 HE3 LYS 54 HE3 LYS 54 -10.532 11.664 -15.223
440 HZ1 LYS 54 HZ1 LYS 54 -11.456 9.645 -17.156
441 HZ2 LYS 54 HZ2 LYS 54 -11.410 11.337 -17.309
442 HZ3 LYS 54 HZ3 LYS 54 -12.589 10.601 -16.332
443 H LYS 55 H LYS 55 -6.060 6.022 -14.505
444 HA LYS 55 HA LYS 55 -4.154 5.579 -16.586
445 HB2 LYS 55 HB2 LYS 55 -4.018 4.608 -13.716
446 HB3 LYS 55 HB3 LYS 55 -2.654 4.829 -14.811
447 HG2 LYS 55 HG2 LYS 55 -4.513 7.050 -13.910
448 HG3 LYS 55 HG3 LYS 55 -2.926 6.732 -13.215
449 HD2 LYS 55 HD2 LYS 55 -2.022 6.953 -15.619
450 HD3 LYS 55 HD3 LYS 55 -3.588 7.667 -16.010
451 HE2 LYS 55 HE2 LYS 55 -1.410 8.733 -14.264
452 HE3 LYS 55 HE3 LYS 55 -2.420 9.576 -15.438
453 HZ1 LYS 55 HZ1 LYS 55 -4.150 9.749 -13.967
454 HZ2 LYS 55 HZ2 LYS 55 -2.829 9.887 -12.908
455 HZ3 LYS 55 HZ3 LYS 55 -3.663 8.412 -13.044
456 H ASN 56 H ASN 56 -6.273 3.387 -14.819
457 HA ASN 56 HA ASN 56 -6.676 1.094 -15.104
458 HB2 ASN 56 HB2 ASN 56 -7.252 1.894 -17.402
459 HB3 ASN 56 HB3 ASN 56 -5.579 1.606 -17.885
460 HD21 ASN 56 HD21 ASN 56 -5.880 -0.801 -15.750
461 HD22 ASN 56 HD22 ASN 56 -6.543 -2.024 -16.721
462 H VAL 57 H VAL 57 -4.357 1.572 -13.770
463 HA VAL 57 HA VAL 57 -2.343 -0.214 -15.046
464 HB VAL 57 HB VAL 57 -1.606 2.088 -14.304
465 HG11 VAL 57 HG11 VAL 57 -3.152 1.651 -12.130
466 HG12 VAL 57 HG12 VAL 57 -1.792 2.773 -12.121
467 HG13 VAL 57 HG13 VAL 57 -1.591 1.137 -11.488
468 HG21 VAL 57 HG21 VAL 57 -0.438 -0.413 -13.073
469 HG22 VAL 57 HG22 VAL 57 0.356 1.156 -12.938
470 HG23 VAL 57 HG23 VAL 57 0.095 0.432 -14.526
471 H LEU 58 H LEU 58 -1.607 -2.024 -13.879
472 HA LEU 58 HA LEU 58 -3.474 -2.935 -11.773
473 HB2 LEU 58 HB2 LEU 58 -2.505 -4.278 -13.856
474 HB3 LEU 58 HB3 LEU 58 -1.163 -4.572 -12.751
475 HG LEU 58 HG LEU 58 -4.076 -5.280 -12.329
476 HD11 LEU 58 HD11 LEU 58 -1.509 -6.871 -12.544
477 HD12 LEU 58 HD12 LEU 58 -2.851 -6.864 -13.691
478 HD13 LEU 58 HD13 LEU 58 -3.066 -7.564 -12.086
479 HD21 LEU 58 HD21 LEU 58 -3.109 -6.298 -10.162
480 HD22 LEU 58 HD22 LEU 58 -3.362 -4.554 -10.184
481 HD23 LEU 58 HD23 LEU 58 -1.741 -5.214 -10.410
482 H TRP 59 H TRP 59 -2.887 -2.856 -9.624
483 HA TRP 59 HA TRP 59 -0.278 -1.773 -8.911
484 HB2 TRP 59 HB2 TRP 59 -2.684 -2.701 -7.357
485 HB3 TRP 59 HB3 TRP 59 -1.173 -2.347 -6.528
486 HD1 TRP 59 HD1 TRP 59 -4.213 -0.727 -7.667
487 HE1 TRP 59 HE1 TRP 59 -3.966 1.849 -7.720
488 HE3 TRP 59 HE3 TRP 59 0.838 -0.347 -7.178
489 HZ2 TRP 59 HZ2 TRP 59 -1.891 3.787 -7.547
490 HZ3 TRP 59 HZ3 TRP 59 1.931 1.872 -7.115
491 HH2 TRP 59 HH2 TRP 59 0.576 3.944 -7.299
492 H ASP 60 H ASP 60 1.523 -2.928 -8.534
493 HA ASP 60 HA ASP 60 1.290 -5.760 -7.650
494 HB2 ASP 60 HB2 ASP 60 2.951 -4.765 -9.987
495 HB3 ASP 60 HB3 ASP 60 3.107 -6.368 -9.270
496 H GLU 61 H GLU 61 3.628 -6.535 -7.030
497 HA GLU 61 HA GLU 61 4.629 -4.799 -5.011
498 HB2 GLU 61 HB2 GLU 61 5.981 -7.113 -6.431
499 HB3 GLU 61 HB3 GLU 61 6.595 -6.345 -4.968
500 HG2 GLU 61 HG2 GLU 61 4.471 -6.908 -3.806
501 HG3 GLU 61 HG3 GLU 61 3.921 -7.741 -5.261
502 H ASN 62 H ASN 62 5.652 -5.325 -8.363
503 HA ASN 62 HA ASN 62 8.012 -3.693 -8.238
504 HB2 ASN 62 HB2 ASN 62 7.271 -5.338 -10.090
505 HB3 ASN 62 HB3 ASN 62 6.290 -4.006 -10.695
506 HD21 ASN 62 HD21 ASN 62 7.801 -4.123 -12.638
507 HD22 ASN 62 HD22 ASN 62 9.292 -3.316 -12.546
508 H ASN 63 H ASN 63 4.677 -2.995 -9.250
509 HA ASN 63 HA ASN 63 5.079 -0.247 -9.891
510 HB2 ASN 63 HB2 ASN 63 2.596 -1.614 -8.814
511 HB3 ASN 63 HB3 ASN 63 2.632 -0.022 -9.570
512 HD21 ASN 63 HD21 ASN 63 1.409 -2.750 -10.457
513 HD22 ASN 63 HD22 ASN 63 1.975 -2.924 -12.046
514 H MET 64 H MET 64 4.337 -1.859 -6.820
515 HA MET 64 HA MET 64 3.826 0.480 -5.282
516 HB2 MET 64 HB2 MET 64 4.960 -2.222 -4.531
517 HB3 MET 64 HB3 MET 64 4.611 -0.969 -3.338
518 HG2 MET 64 HG2 MET 64 2.576 -2.028 -5.316
519 HG3 MET 64 HG3 MET 64 2.733 -2.615 -3.660
520 HE1 MET 64 HE1 MET 64 -0.126 -1.610 -3.230
521 HE2 MET 64 HE2 MET 64 0.342 -1.788 -4.918
522 HE3 MET 64 HE3 MET 64 -0.435 -0.302 -4.380
523 H SER 65 H SER 65 6.872 -1.124 -6.158
524 HA SER 65 HA SER 65 8.586 0.383 -4.458
525 HB2 SER 65 HB2 SER 65 9.265 -1.618 -5.841
526 HB3 SER 65 HB3 SER 65 9.231 -0.578 -7.262
527 HG SER 65 HG SER 65 11.224 -0.916 -5.643
528 H GLU 66 H GLU 66 7.337 1.048 -7.713
529 HA GLU 66 HA GLU 66 8.760 3.523 -8.061
530 HB2 GLU 66 HB2 GLU 66 6.187 2.504 -9.302
531 HB3 GLU 66 HB3 GLU 66 7.057 3.937 -9.843
532 HG2 GLU 66 HG2 GLU 66 9.067 2.538 -10.262
533 HG3 GLU 66 HG3 GLU 66 8.146 1.110 -9.790
534 H TYR 67 H TYR 67 5.678 2.655 -6.593
535 HA TYR 67 HA TYR 67 4.583 5.277 -6.354
536 HB2 TYR 67 HB2 TYR 67 3.193 3.351 -5.935
537 HB3 TYR 67 HB3 TYR 67 4.248 2.809 -4.631
538 HD1 TYR 67 HD1 TYR 67 1.893 5.497 -5.668
539 HD2 TYR 67 HD2 TYR 67 4.063 3.695 -2.442
540 HE1 TYR 67 HE1 TYR 67 0.616 6.870 -4.038
541 HE2 TYR 67 HE2 TYR 67 2.797 5.065 -0.814
542 HH TYR 67 HH TYR 67 0.131 7.154 -1.858
543 H LEU 68 H LEU 68 6.587 3.402 -4.052
544 HA LEU 68 HA LEU 68 6.700 5.539 -2.120
545 HB2 LEU 68 HB2 LEU 68 8.447 3.103 -2.548
546 HB3 LEU 68 HB3 LEU 68 8.575 4.177 -1.160
547 HG LEU 68 HG LEU 68 6.046 2.713 -1.961
548 HD11 LEU 68 HD11 LEU 68 8.380 1.887 -0.402
549 HD12 LEU 68 HD12 LEU 68 7.049 0.916 -1.030
550 HD13 LEU 68 HD13 LEU 68 6.873 1.763 0.506
551 HD21 LEU 68 HD21 LEU 68 5.679 3.372 0.606
552 HD22 LEU 68 HD22 LEU 68 5.268 4.489 -0.694
553 HD23 LEU 68 HD23 LEU 68 6.791 4.670 0.174
554 H THR 69 H THR 69 8.882 4.471 -4.709
555 HA THR 69 HA THR 69 10.895 6.469 -4.086
556 HB THR 69 HB THR 69 11.942 5.762 -6.182
557 HG1 THR 69 HG1 THR 69 10.324 3.849 -6.968
558 HG21 THR 69 HG21 THR 69 10.901 3.792 -4.218
559 HG22 THR 69 HG22 THR 69 12.566 4.165 -4.666
560 HG23 THR 69 HG23 THR 69 11.585 3.130 -5.703
561 H ASN 70 H ASN 70 8.180 6.288 -6.368
562 HA ASN 70 HA ASN 70 8.388 9.221 -6.715
563 HB2 ASN 70 HB2 ASN 70 9.706 8.039 -8.558
564 HB3 ASN 70 HB3 ASN 70 8.158 7.419 -9.129
565 HD21 ASN 70 HD21 ASN 70 9.392 9.038 -10.935
566 HD22 ASN 70 HD22 ASN 70 8.692 10.583 -10.971
567 H HIS 71 H HIS 71 6.365 9.846 -6.101
568 HA HIS 71 HA HIS 71 4.055 8.542 -7.440
569 HB2 HIS 71 HB2 HIS 71 2.862 8.822 -5.130
570 HB3 HIS 71 HB3 HIS 71 3.904 7.422 -5.381
571 HD1 HIS 71 HD1 HIS 71 3.277 9.835 -2.901
572 HD2 HIS 71 HD2 HIS 71 6.801 8.349 -4.568
573 HE1 HIS 71 HE1 HIS 71 5.128 10.353 -1.249
574 HE2 HIS 71 HE2 HIS 71 7.275 9.453 -2.255
575 H ALA 72 H ALA 72 2.550 10.051 -8.097
576 HA ALA 72 HA ALA 72 1.740 12.397 -6.880
577 HB1 ALA 72 HB1 ALA 72 3.267 14.002 -8.400
578 HB2 ALA 72 HB2 ALA 72 4.417 12.686 -8.164
579 HB3 ALA 72 HB3 ALA 72 3.741 13.529 -6.770
580 H LYS 73 H LYS 73 3.061 13.116 -9.997
581 HA LYS 73 HA LYS 73 0.510 13.524 -11.189
582 HB2 LYS 73 HB2 LYS 73 3.200 13.003 -12.487
583 HB3 LYS 73 HB3 LYS 73 1.770 13.569 -13.350
584 HG2 LYS 73 HG2 LYS 73 1.671 15.537 -11.815
585 HG3 LYS 73 HG3 LYS 73 3.179 14.995 -11.076
586 HD2 LYS 73 HD2 LYS 73 4.278 15.114 -13.313
587 HD3 LYS 73 HD3 LYS 73 2.781 15.765 -13.982
588 HE2 LYS 73 HE2 LYS 73 4.386 17.024 -11.738
589 HE3 LYS 73 HE3 LYS 73 4.371 17.574 -13.414
590 HZ1 LYS 73 HZ1 LYS 73 2.228 17.694 -11.402
591 HZ2 LYS 73 HZ2 LYS 73 1.829 17.648 -13.053
592 HZ3 LYS 73 HZ3 LYS 73 2.790 18.909 -12.444
593 H TYR 74 H TYR 74 2.587 10.687 -11.082
594 HA TYR 74 HA TYR 74 1.378 9.113 -13.090
595 HB2 TYR 74 HB2 TYR 74 3.313 8.187 -12.192
596 HB3 TYR 74 HB3 TYR 74 2.822 8.515 -10.531
597 HD1 TYR 74 HD2 TYR 74 1.014 6.814 -13.344
598 HD2 TYR 74 HD1 TYR 74 2.711 6.485 -9.418
599 HE1 TYR 74 HE2 TYR 74 0.099 4.515 -13.144
600 HE2 TYR 74 HE1 TYR 74 1.804 4.189 -9.211
601 HH TYR 74 HH TYR 74 0.910 2.345 -11.608
602 H ILE 75 H ILE 75 0.426 9.522 -9.681
603 HA ILE 75 HA ILE 75 -2.174 8.183 -10.356
604 HB ILE 75 HB ILE 75 -2.010 7.903 -7.656
605 HG12 ILE 75 HG12 ILE 75 0.811 7.358 -8.517
606 HG13 ILE 75 HG13 ILE 75 0.360 8.972 -7.970
607 HG21 ILE 75 HG21 ILE 75 -0.803 5.620 -8.338
608 HG22 ILE 75 HG22 ILE 75 -1.189 6.181 -9.963
609 HG23 ILE 75 HG23 ILE 75 -2.480 5.934 -8.785
610 HD11 ILE 75 HD11 ILE 75 -0.513 8.024 -5.875
611 HD12 ILE 75 HD12 ILE 75 1.188 7.614 -6.098
612 HD13 ILE 75 HD13 ILE 75 -0.060 6.407 -6.417
613 HA PRO 76 HA PRO 76 -4.702 11.575 -9.098
614 HB2 PRO 76 HB2 PRO 76 -5.376 10.406 -6.496
615 HB3 PRO 76 HB3 PRO 76 -6.426 10.718 -7.884
616 HG2 PRO 76 HG2 PRO 76 -5.179 8.238 -7.060
617 HG3 PRO 76 HG3 PRO 76 -6.410 8.510 -8.304
618 HD2 PRO 76 HD2 PRO 76 -3.845 7.741 -8.880
619 HD3 PRO 76 HD3 PRO 76 -4.846 8.685 -9.999
620 H GLY 77 H GLY 77 -4.587 13.435 -7.697
621 HA2 GLY 77 HA2 GLY 77 -2.029 13.881 -6.461
622 HA3 GLY 77 HA3 GLY 77 -3.420 14.961 -6.342
623 H THR 78 H THR 78 -4.132 11.766 -5.426
624 HA THR 78 HA THR 78 -5.068 12.240 -2.891
625 HB THR 78 HB THR 78 -5.035 10.023 -4.154
626 HG1 THR 78 HG1 THR 78 -4.812 10.503 -1.466
627 HG21 THR 78 HG21 THR 78 -2.524 9.406 -2.640
628 HG22 THR 78 HG22 THR 78 -2.394 10.224 -4.198
629 HG23 THR 78 HG23 THR 78 -3.169 8.644 -4.094
630 H LYS 79 H LYS 79 -4.210 12.789 -0.937
631 HA LYS 79 HA LYS 79 -1.242 12.970 -0.743
632 HB2 LYS 79 HB2 LYS 79 -3.440 14.228 0.931
633 HB3 LYS 79 HB3 LYS 79 -1.713 14.444 1.218
634 HG2 LYS 79 HG2 LYS 79 -1.485 15.358 -1.097
635 HG3 LYS 79 HG3 LYS 79 -3.237 15.247 -1.276
636 HD2 LYS 79 HD2 LYS 79 -3.495 16.723 0.722
637 HD3 LYS 79 HD3 LYS 79 -1.741 16.906 0.772
638 HE2 LYS 79 HE2 LYS 79 -1.764 17.864 -1.496
639 HE3 LYS 79 HE3 LYS 79 -3.515 17.663 -1.569
640 HZ1 LYS 79 HZ1 LYS 79 -3.766 19.166 0.269
641 HZ2 LYS 79 HZ2 LYS 79 -2.836 19.922 -0.935
642 HZ3 LYS 79 HZ3 LYS 79 -2.086 19.297 0.455
643 H MET 80 H MET 80 -0.153 11.679 0.713
644 HA MET 80 HA MET 80 -1.833 9.932 2.469
645 HB2 MET 80 HB2 MET 80 -0.558 8.822 0.566
646 HB3 MET 80 HB3 MET 80 0.925 9.288 1.395
647 HG2 MET 80 HG2 MET 80 0.667 7.706 3.014
648 HG3 MET 80 HG3 MET 80 -1.078 7.923 3.098
649 HE1 MET 80 HE1 MET 80 1.821 6.513 0.735
650 HE2 MET 80 HE2 MET 80 1.321 4.832 0.900
651 HE3 MET 80 HE3 MET 80 1.667 5.784 2.341
652 H ALA 81 H ALA 81 -1.301 9.835 4.631
653 HA ALA 81 HA ALA 81 0.292 11.923 5.771
654 HB1 ALA 81 HB1 ALA 81 -1.567 10.109 6.726
655 HB2 ALA 81 HB2 ALA 81 -0.624 11.220 7.720
656 HB3 ALA 81 HB3 ALA 81 -0.067 9.564 7.478
657 H PHE 82 H PHE 82 1.079 8.730 4.636
658 HA PHE 82 HA PHE 82 3.561 8.499 6.150
659 HB2 PHE 82 HB2 PHE 82 2.037 6.683 4.876
660 HB3 PHE 82 HB3 PHE 82 3.186 7.023 3.582
661 HD1 PHE 82 HD1 PHE 82 3.028 6.173 7.224
662 HD2 PHE 82 HD2 PHE 82 5.300 5.983 3.582
663 HE1 PHE 82 HE1 PHE 82 4.697 4.718 8.341
664 HE2 PHE 82 HE2 PHE 82 6.971 4.528 4.704
665 HZ PHE 82 HZ PHE 82 6.664 3.897 7.080
666 H GLY 83 H GLY 83 5.473 9.461 5.625
667 HA2 GLY 83 HA2 GLY 83 5.797 10.512 2.839
668 HA3 GLY 83 HA3 GLY 83 6.304 11.439 4.250
669 H GLY 84 H GLY 84 6.711 7.986 3.441
670 HA2 GLY 84 HA2 GLY 84 8.789 6.932 2.823
671 HA3 GLY 84 HA3 GLY 84 9.644 8.398 3.303
672 H LEU 85 H LEU 85 10.293 5.716 4.167
673 HA LEU 85 HA LEU 85 9.681 5.945 7.087
674 HB2 LEU 85 HB2 LEU 85 8.703 3.928 6.052
675 HB3 LEU 85 HB3 LEU 85 10.295 3.458 5.464
676 HG LEU 85 HG LEU 85 11.121 3.274 7.756
677 HD11 LEU 85 HD11 LEU 85 10.025 4.809 9.097
678 HD12 LEU 85 HD12 LEU 85 9.128 3.351 9.519
679 HD13 LEU 85 HD13 LEU 85 8.456 4.492 8.355
680 HD21 LEU 85 HD21 LEU 85 9.267 1.530 8.538
681 HD22 LEU 85 HD22 LEU 85 10.292 1.199 7.142
682 HD23 LEU 85 HD23 LEU 85 8.654 1.810 6.907
683 H LYS 86 H LYS 86 11.423 6.182 8.420
684 HA LYS 86 HA LYS 86 14.015 6.741 7.416
685 HB2 LYS 86 HB2 LYS 86 13.173 5.825 10.182
686 HB3 LYS 86 HB3 LYS 86 14.760 6.486 9.788
687 HG2 LYS 86 HG2 LYS 86 13.644 8.564 8.962
688 HG3 LYS 86 HG3 LYS 86 12.097 7.908 9.499
689 HD2 LYS 86 HD2 LYS 86 13.020 7.724 11.811
690 HD3 LYS 86 HD3 LYS 86 14.502 8.500 11.249
691 HE2 LYS 86 HE2 LYS 86 12.407 10.143 10.335
692 HE3 LYS 86 HE3 LYS 86 11.980 9.716 11.992
693 HZ1 LYS 86 HZ1 LYS 86 14.010 11.466 11.064
694 HZ2 LYS 86 HZ2 LYS 86 14.682 10.239 12.028
695 HZ3 LYS 86 HZ3 LYS 86 13.443 11.226 12.644
696 H LYS 87 H LYS 87 12.607 3.711 8.603
697 HA LYS 87 HA LYS 87 15.183 2.322 8.111
698 HB2 LYS 87 HB2 LYS 87 12.556 1.348 9.277
699 HB3 LYS 87 HB3 LYS 87 14.001 0.353 9.098
700 HG2 LYS 87 HG2 LYS 87 15.257 1.979 10.511
701 HG3 LYS 87 HG3 LYS 87 13.762 2.883 10.753
702 HD2 LYS 87 HD2 LYS 87 12.720 0.839 11.724
703 HD3 LYS 87 HD3 LYS 87 14.266 0.006 11.564
704 HE2 LYS 87 HE2 LYS 87 14.497 2.603 12.906
705 HE3 LYS 87 HE3 LYS 87 13.460 1.467 13.771
706 HZ1 LYS 87 HZ1 LYS 87 15.195 0.218 14.327
707 HZ2 LYS 87 HZ2 LYS 87 16.181 1.510 13.827
708 HZ3 LYS 87 HZ3 LYS 87 15.835 0.237 12.756
709 H GLU 88 H GLU 88 15.412 2.015 5.922
710 HA GLU 88 HA GLU 88 13.234 1.556 4.111
711 HB2 GLU 88 HB2 GLU 88 16.191 0.941 3.842
712 HB3 GLU 88 HB3 GLU 88 15.030 0.868 2.516
713 HG2 GLU 88 HG2 GLU 88 14.472 3.258 2.898
714 HG3 GLU 88 HG3 GLU 88 15.694 3.322 4.170
715 H LYS 89 H LYS 89 15.387 -0.650 5.883
716 HA LYS 89 HA LYS 89 14.632 -3.049 4.561
717 HB2 LYS 89 HB2 LYS 89 15.464 -2.582 7.438
718 HB3 LYS 89 HB3 LYS 89 15.358 -4.165 6.672
719 HG2 LYS 89 HG2 LYS 89 16.990 -3.398 4.945
720 HG3 LYS 89 HG3 LYS 89 17.156 -1.879 5.824
721 HD2 LYS 89 HD2 LYS 89 17.864 -3.171 7.842
722 HD3 LYS 89 HD3 LYS 89 17.810 -4.646 6.876
723 HE2 LYS 89 HE2 LYS 89 19.687 -2.307 6.642
724 HE3 LYS 89 HE3 LYS 89 20.066 -4.027 6.720
725 HZ1 LYS 89 HZ1 LYS 89 18.984 -4.269 4.530
726 HZ2 LYS 89 HZ2 LYS 89 20.359 -3.272 4.488
727 HZ3 LYS 89 HZ3 LYS 89 18.805 -2.585 4.453
728 H ASP 90 H ASP 90 13.231 -1.451 7.420
729 HA ASP 90 HA ASP 90 11.216 -3.418 7.906
730 HB2 ASP 90 HB2 ASP 90 11.339 -0.458 8.535
731 HB3 ASP 90 HB3 ASP 90 10.064 -1.525 9.117
732 H ARG 91 H ARG 91 11.268 -0.500 5.889
733 HA ARG 91 HA ARG 91 8.527 -0.461 5.164
734 HB2 ARG 91 HB2 ARG 91 10.210 1.328 4.641
735 HB3 ARG 91 HB3 ARG 91 10.873 0.275 3.392
736 HG2 ARG 91 HG2 ARG 91 8.724 0.243 2.228
737 HG3 ARG 91 HG3 ARG 91 7.993 1.214 3.507
738 HD2 ARG 91 HD2 ARG 91 8.557 2.724 1.719
739 HD3 ARG 91 HD3 ARG 91 9.727 2.994 3.010
740 HE ARG 91 HE ARG 91 10.569 1.058 0.964
741 HH11 ARG 91 HH21 ARG 91 10.501 4.307 2.117
742 HH12 ARG 91 HH22 ARG 91 11.911 4.790 1.234
743 HH21 ARG 91 HH11 ARG 91 12.409 1.671 -0.197
744 HH22 ARG 91 HH12 ARG 91 12.991 3.298 -0.076
745 H ASN 92 H ASN 92 11.253 -2.266 3.782
746 HA ASN 92 HA ASN 92 9.906 -3.340 1.528
747 HB2 ASN 92 HB2 ASN 92 12.088 -4.576 3.233
748 HB3 ASN 92 HB3 ASN 92 11.625 -5.123 1.625
749 HD21 ASN 92 HD21 ASN 92 11.282 -2.678 0.273
750 HD22 ASN 92 HD22 ASN 92 12.761 -1.847 0.224
751 H ASP 93 H ASP 93 10.118 -4.523 4.876
752 HA ASP 93 HA ASP 93 8.757 -6.984 4.471
753 HB2 ASP 93 HB2 ASP 93 8.889 -5.170 6.892
754 HB3 ASP 93 HB3 ASP 93 8.216 -6.796 6.919
755 H LEU 94 H LEU 94 7.550 -3.712 5.067
756 HA LEU 94 HA LEU 94 4.822 -4.360 5.506
757 HB2 LEU 94 HB2 LEU 94 6.057 -1.926 4.186
758 HB3 LEU 94 HB3 LEU 94 4.389 -2.032 4.736
759 HG LEU 94 HG LEU 94 6.830 -2.372 6.501
760 HD11 LEU 94 HD11 LEU 94 6.253 -0.028 5.574
761 HD12 LEU 94 HD12 LEU 94 6.410 -0.189 7.323
762 HD13 LEU 94 HD13 LEU 94 4.810 -0.128 6.584
763 HD21 LEU 94 HD21 LEU 94 5.258 -3.538 7.701
764 HD22 LEU 94 HD22 LEU 94 3.906 -2.772 6.866
765 HD23 LEU 94 HD23 LEU 94 4.738 -1.918 8.165
766 H ILE 95 H ILE 95 6.583 -3.733 2.467
767 HA ILE 95 HA ILE 95 4.397 -3.783 0.702
768 HB ILE 95 HB ILE 95 7.190 -4.878 0.269
769 HG12 ILE 95 HG12 ILE 95 6.026 -2.142 -0.346
770 HG13 ILE 95 HG13 ILE 95 7.064 -2.495 1.037
771 HG21 ILE 95 HG21 ILE 95 6.668 -4.333 -2.126
772 HG22 ILE 95 HG22 ILE 95 4.999 -4.038 -1.641
773 HG23 ILE 95 HG23 ILE 95 5.695 -5.647 -1.468
774 HD11 ILE 95 HD11 ILE 95 8.293 -3.547 -1.337
775 HD12 ILE 95 HD12 ILE 95 8.896 -2.294 -0.251
776 HD13 ILE 95 HD13 ILE 95 7.865 -1.858 -1.614
777 H THR 96 H THR 96 6.383 -6.512 1.854
778 HA THR 96 HA THR 96 5.001 -8.548 0.421
779 HB THR 96 HB THR 96 6.238 -8.852 3.170
780 HG1 THR 96 HG1 THR 96 8.164 -9.196 2.025
781 HG21 THR 96 HG21 THR 96 6.719 -10.951 1.236
782 HG22 THR 96 HG22 THR 96 4.987 -10.659 1.412
783 HG23 THR 96 HG23 THR 96 5.963 -11.057 2.826
784 H TYR 97 H TYR 97 4.387 -7.127 3.624
785 HA TYR 97 HA TYR 97 2.310 -8.894 4.419
786 HB2 TYR 97 HB2 TYR 97 3.394 -7.245 5.929
787 HB3 TYR 97 HB3 TYR 97 2.567 -5.945 5.072
788 HD1 TYR 97 HD2 TYR 97 2.101 -8.910 7.240
789 HD2 TYR 97 HD1 TYR 97 0.207 -5.537 5.373
790 HE1 TYR 97 HE2 TYR 97 0.083 -9.272 8.634
791 HE2 TYR 97 HE1 TYR 97 -1.811 -5.899 6.766
792 HH TYR 97 HH TYR 97 -2.782 -7.170 8.298
793 H LEU 98 H LEU 98 2.148 -5.877 2.505
794 HA LEU 98 HA LEU 98 -0.679 -5.717 2.367
795 HB2 LEU 98 HB2 LEU 98 1.347 -4.930 0.251
796 HB3 LEU 98 HB3 LEU 98 -0.321 -4.374 0.336
797 HG LEU 98 HG LEU 98 1.843 -3.864 2.391
798 HD11 LEU 98 HD11 LEU 98 2.050 -2.459 0.405
799 HD12 LEU 98 HD12 LEU 98 1.438 -1.490 1.747
800 HD13 LEU 98 HD13 LEU 98 0.336 -2.048 0.488
801 HD21 LEU 98 HD21 LEU 98 -0.113 -2.293 3.228
802 HD22 LEU 98 HD22 LEU 98 -0.069 -3.985 3.719
803 HD23 LEU 98 HD23 LEU 98 -1.132 -3.475 2.408
804 H LYS 99 H LYS 99 1.620 -7.606 0.441
805 HA LYS 99 HA LYS 99 -0.195 -8.497 -1.554
806 HB2 LYS 99 HB2 LYS 99 2.268 -8.957 -1.572
807 HB3 LYS 99 HB3 LYS 99 2.027 -10.115 -0.263
808 HG2 LYS 99 HG2 LYS 99 0.530 -11.446 -1.675
809 HG3 LYS 99 HG3 LYS 99 0.684 -10.267 -2.977
810 HD2 LYS 99 HD2 LYS 99 2.191 -12.117 -3.434
811 HD3 LYS 99 HD3 LYS 99 3.151 -10.700 -3.010
812 HE2 LYS 99 HE2 LYS 99 3.951 -11.664 -1.120
813 HE3 LYS 99 HE3 LYS 99 2.379 -12.336 -0.690
814 HZ1 LYS 99 HZ1 LYS 99 3.048 -14.291 -1.435
815 HZ2 LYS 99 HZ2 LYS 99 4.563 -13.643 -1.849
816 HZ3 LYS 99 HZ3 LYS 99 3.297 -13.645 -2.983
817 H LYS 100 H LYS 100 0.441 -9.647 1.733
818 HA LYS 100 HA LYS 100 -1.249 -11.945 1.656
819 HB2 LYS 100 HB2 LYS 100 0.397 -11.444 3.471
820 HB3 LYS 100 HB3 LYS 100 -0.669 -10.157 4.035
821 HG2 LYS 100 HG2 LYS 100 -2.462 -11.774 4.434
822 HG3 LYS 100 HG3 LYS 100 -1.457 -13.075 3.794
823 HD2 LYS 100 HD2 LYS 100 -1.327 -13.145 6.213
824 HD3 LYS 100 HD3 LYS 100 0.223 -12.574 5.595
825 HE2 LYS 100 HE2 LYS 100 -0.174 -10.366 6.261
826 HE3 LYS 100 HE3 LYS 100 -1.923 -10.594 6.314
827 HZ1 LYS 100 HZ1 LYS 100 -0.931 -12.405 8.106
828 HZ2 LYS 100 HZ2 LYS 100 -1.670 -10.922 8.480
829 HZ3 LYS 100 HZ3 LYS 100 0.021 -11.024 8.357
830 H ALA 101 H ALA 101 -1.924 -8.521 2.209
831 HA ALA 101 HA ALA 101 -4.559 -8.788 3.236
832 HB1 ALA 101 HB1 ALA 101 -2.909 -6.680 2.666
833 HB2 ALA 101 HB2 ALA 101 -4.613 -6.518 3.089
834 HB3 ALA 101 HB3 ALA 101 -4.121 -6.523 1.395
835 H THR 102 H THR 102 -3.376 -8.742 -0.120
836 HA THR 102 HA THR 102 -6.031 -8.724 -1.271
837 HB THR 102 HB THR 102 -3.572 -8.303 -2.315
838 HG1 THR 102 HG1 THR 102 -4.754 -8.808 -4.386
839 HG21 THR 102 HG21 THR 102 -3.140 -10.817 -2.092
840 HG22 THR 102 HG22 THR 102 -2.850 -10.114 -3.681
841 HG23 THR 102 HG23 THR 102 -4.326 -11.030 -3.379
842 H GLU 103 H GLU 103 -3.859 -11.240 -0.131
843 HA GLU 103 HA GLU 103 -6.029 -13.168 -0.104
844 HB2 GLU 103 HB2 GLU 103 -5.340 -13.217 -2.514
845 HB3 GLU 103 HB3 GLU 103 -3.722 -13.699 -2.001
846 HG2 GLU 103 HG2 GLU 103 -4.713 -15.681 -0.858
847 HG3 GLU 103 HG3 GLU 103 -6.294 -15.223 -1.492
848 HHA HEC 104 HA HEC 104 -3.617 4.512 -2.189
849 HHB HEC 104 HB HEC 104 0.676 1.375 1.188
850 HHC HEC 104 HC HEC 104 -0.792 4.886 6.279
851 HHD HEC 104 HD HEC 104 -5.055 8.029 2.858
852 HMA1 HEC 104 1HMA HEC 104 -0.177 0.063 -0.464
853 HMA2 HEC 104 2HMA HEC 104 0.821 0.876 -1.669
854 HMA3 HEC 104 3HMA HEC 104 -0.775 0.267 -2.109
855 HAA1 HEC 104 1HAA HEC 104 -1.183 1.959 -3.584
856 HAA2 HEC 104 2HAA HEC 104 -2.668 2.896 -3.528
857 HBA1 HEC 104 1HBA HEC 104 -0.113 3.761 -4.375
858 HBA2 HEC 104 2HBA HEC 104 -0.447 4.597 -2.859
859 HMB1 HEC 104 1HMB HEC 104 2.253 0.744 4.276
860 HMB2 HEC 104 2HMB HEC 104 2.263 1.175 2.579
861 HMB3 HEC 104 3HMB HEC 104 2.980 2.261 3.751
862 HAB HEC 104 HAB HEC 104 0.487 3.287 6.972
863 HBB1 HEC 104 1HBB HEC 104 2.241 2.001 7.631
864 HBB2 HEC 104 2HBB HEC 104 2.719 2.186 5.956
865 HBB3 HEC 104 3HBB HEC 104 1.882 0.722 6.476
866 HMC1 HEC 104 1HMC HEC 104 -0.988 7.504 6.774
867 HMC2 HEC 104 2HMC HEC 104 -2.049 6.489 7.749
868 HMC3 HEC 104 3HMC HEC 104 -2.547 8.123 7.313
869 HAC HEC 104 HAC HEC 104 -5.669 7.928 5.019
870 HBC1 HEC 104 1HBC HEC 104 -3.832 9.881 4.932
871 HBC2 HEC 104 2HBC HEC 104 -5.424 10.134 5.649
872 HBC3 HEC 104 3HBC HEC 104 -4.036 9.794 6.681
873 HMD1 HEC 104 1HMD HEC 104 -6.299 8.639 -0.710
874 HMD2 HEC 104 2HMD HEC 104 -5.090 9.295 0.394
875 HMD3 HEC 104 3HMD HEC 104 -6.570 8.577 1.030
876 HAD1 HEC 104 1HAD HEC 104 -6.726 6.676 -1.772
877 HAD2 HEC 104 2HAD HEC 104 -5.927 5.153 -2.132
878 HBD1 HEC 104 1HBD HEC 104 -5.450 7.860 -3.280
879 HBD2 HEC 104 2HBD HEC 104 -4.059 6.789 -3.108
Start of MODEL 2
1 H1 THR -5 H1 THR -5 13.196 -6.859 -6.696
2 H2 THR -5 H2 THR -5 14.094 -8.186 -6.129
3 H3 THR -5 H3 THR -5 13.754 -8.033 -7.786
4 HA THR -5 HA THR -5 16.046 -7.420 -7.312
5 HB THR -5 HB THR -5 15.165 -6.298 -9.201
6 HG1 THR -5 HG1 THR -5 15.679 -3.985 -7.776
7 HG21 THR -5 HG21 THR -5 12.981 -5.709 -8.769
8 HG22 THR -5 HG22 THR -5 13.732 -4.120 -8.614
9 HG23 THR -5 HG23 THR -5 13.360 -5.064 -7.172
10 H GLU -4 H GLU -4 14.974 -4.242 -6.645
11 HA GLU -4 HA GLU -4 16.649 -3.960 -4.353
12 HB2 GLU -4 HB2 GLU -4 14.289 -2.285 -5.263
13 HB3 GLU -4 HB3 GLU -4 15.440 -1.800 -4.018
14 HG2 GLU -4 HG2 GLU -4 17.284 -2.013 -5.671
15 HG3 GLU -4 HG3 GLU -4 16.099 -2.418 -6.913
16 H PHE -3 H PHE -3 13.241 -4.807 -4.695
17 HA PHE -3 HA PHE -3 12.975 -4.867 -1.732
18 HB2 PHE -3 HB2 PHE -3 11.102 -3.765 -2.609
19 HB3 PHE -3 HB3 PHE -3 11.012 -4.828 -4.012
20 HD1 PHE -3 HD1 PHE -3 11.390 -5.789 -0.414
21 HD2 PHE -3 HD2 PHE -3 8.831 -5.734 -3.865
22 HE1 PHE -3 HE1 PHE -3 9.766 -7.236 0.767
23 HE2 PHE -3 HE2 PHE -3 7.205 -7.179 -2.677
24 HZ PHE -3 HZ PHE -3 7.672 -7.930 -0.363
25 H LYS -2 H LYS -2 12.902 -6.790 -0.659
26 HA LYS -2 HA LYS -2 12.604 -9.284 -2.273
27 HB2 LYS -2 HB2 LYS -2 14.970 -8.881 -1.535
28 HB3 LYS -2 HB3 LYS -2 14.407 -8.920 0.137
29 HG2 LYS -2 HG2 LYS -2 13.518 -11.209 -0.236
30 HG3 LYS -2 HG3 LYS -2 14.157 -11.171 -1.879
31 HD2 LYS -2 HD2 LYS -2 16.441 -10.767 -0.920
32 HD3 LYS -2 HD3 LYS -2 15.757 -10.998 0.689
33 HE2 LYS -2 HE2 LYS -2 15.908 -13.230 0.460
34 HE3 LYS -2 HE3 LYS -2 14.910 -13.166 -0.992
35 HZ1 LYS -2 HZ1 LYS -2 16.790 -13.907 -1.949
36 HZ2 LYS -2 HZ2 LYS -2 17.801 -13.296 -0.728
37 HZ3 LYS -2 HZ3 LYS -2 17.217 -12.266 -1.948
38 H ALA -1 H ALA -1 11.013 -10.610 -1.515
39 HA ALA -1 HA ALA -1 9.303 -9.810 0.617
40 HB1 ALA -1 HB1 ALA -1 8.534 -11.290 -1.178
41 HB2 ALA -1 HB2 ALA -1 8.308 -12.071 0.388
42 HB3 ALA -1 HB3 ALA -1 9.657 -12.543 -0.645
43 H GLY 1 H GLY 1 10.342 -9.541 2.588
44 HA2 GLY 1 HA2 GLY 1 12.142 -11.614 3.625
45 HA3 GLY 1 HA3 GLY 1 11.663 -10.140 4.470
46 H SER 2 H SER 2 9.927 -10.224 5.888
47 HA SER 2 HA SER 2 8.420 -12.806 6.019
48 HB2 SER 2 HB2 SER 2 10.127 -12.645 7.837
49 HB3 SER 2 HB3 SER 2 9.364 -11.154 8.381
50 HG SER 2 HG SER 2 8.640 -13.735 8.798
51 H ALA 3 H ALA 3 6.246 -12.496 5.943
52 HA ALA 3 HA ALA 3 5.130 -9.845 5.745
53 HB1 ALA 3 HB1 ALA 3 4.282 -12.294 4.954
54 HB2 ALA 3 HB2 ALA 3 3.201 -10.912 5.124
55 HB3 ALA 3 HB3 ALA 3 3.322 -12.101 6.421
56 H LYS 4 H LYS 4 5.395 -12.199 8.357
57 HA LYS 4 HA LYS 4 3.579 -11.033 10.200
58 HB2 LYS 4 HB2 LYS 4 6.229 -12.363 10.833
59 HB3 LYS 4 HB3 LYS 4 4.834 -12.227 11.902
60 HG2 LYS 4 HG2 LYS 4 3.506 -13.507 10.171
61 HG3 LYS 4 HG3 LYS 4 5.032 -13.802 9.337
62 HD2 LYS 4 HD2 LYS 4 4.454 -14.572 12.213
63 HD3 LYS 4 HD3 LYS 4 4.420 -15.684 10.844
64 HE2 LYS 4 HE2 LYS 4 6.597 -16.024 11.517
65 HE3 LYS 4 HE3 LYS 4 6.857 -14.649 10.443
66 HZ1 LYS 4 HZ1 LYS 4 7.108 -14.811 13.298
67 HZ2 LYS 4 HZ2 LYS 4 6.176 -13.484 12.791
68 HZ3 LYS 4 HZ3 LYS 4 7.763 -13.682 12.216
69 H LYS 5 H LYS 5 7.057 -10.493 9.745
70 HA LYS 5 HA LYS 5 7.371 -8.513 11.763
71 HB2 LYS 5 HB2 LYS 5 8.850 -8.883 9.141
72 HB3 LYS 5 HB3 LYS 5 9.379 -7.825 10.446
73 HG2 LYS 5 HG2 LYS 5 9.410 -9.790 11.983
74 HG3 LYS 5 HG3 LYS 5 8.997 -10.825 10.616
75 HD2 LYS 5 HD2 LYS 5 11.053 -10.027 9.441
76 HD3 LYS 5 HD3 LYS 5 11.485 -9.115 10.889
77 HE2 LYS 5 HE2 LYS 5 10.955 -12.093 10.942
78 HE3 LYS 5 HE3 LYS 5 12.562 -11.419 10.673
79 HZ1 LYS 5 HZ1 LYS 5 11.817 -11.984 13.059
80 HZ2 LYS 5 HZ2 LYS 5 10.951 -10.525 12.969
81 HZ3 LYS 5 HZ3 LYS 5 12.640 -10.528 12.779
82 H GLY 6 H GLY 6 6.535 -8.203 8.312
83 HA2 GLY 6 HA2 GLY 6 6.444 -5.336 8.294
84 HA3 GLY 6 HA3 GLY 6 5.633 -6.383 7.131
85 H ALA 7 H ALA 7 4.079 -7.818 9.137
86 HA ALA 7 HA ALA 7 1.761 -6.176 9.221
87 HB1 ALA 7 HB1 ALA 7 2.338 -8.434 11.150
88 HB2 ALA 7 HB2 ALA 7 1.887 -8.717 9.468
89 HB3 ALA 7 HB3 ALA 7 0.767 -7.894 10.556
90 H THR 8 H THR 8 4.303 -6.741 11.632
91 HA THR 8 HA THR 8 3.064 -5.343 13.789
92 HB THR 8 HB THR 8 5.287 -5.230 14.740
93 HG1 THR 8 HG1 THR 8 6.625 -6.223 12.590
94 HG21 THR 8 HG21 THR 8 5.153 -7.726 13.042
95 HG22 THR 8 HG22 THR 8 4.186 -7.483 14.497
96 HG23 THR 8 HG23 THR 8 5.945 -7.548 14.607
97 H LEU 9 H LEU 9 5.329 -4.269 11.281
98 HA LEU 9 HA LEU 9 5.428 -1.518 12.068
99 HB2 LEU 9 HB2 LEU 9 6.930 -2.761 10.399
100 HB3 LEU 9 HB3 LEU 9 5.638 -2.510 9.232
101 HG LEU 9 HG LEU 9 5.748 -0.018 9.991
102 HD11 LEU 9 HD11 LEU 9 7.234 -0.167 11.863
103 HD12 LEU 9 HD12 LEU 9 8.167 0.576 10.565
104 HD13 LEU 9 HD13 LEU 9 8.398 -1.128 10.950
105 HD21 LEU 9 HD21 LEU 9 7.415 -1.587 8.128
106 HD22 LEU 9 HD22 LEU 9 8.006 0.038 8.472
107 HD23 LEU 9 HD23 LEU 9 6.385 -0.190 7.817
108 H PHE 10 H PHE 10 3.396 -3.280 9.776
109 HA PHE 10 HA PHE 10 1.892 -1.034 8.829
110 HB2 PHE 10 HB2 PHE 10 2.000 -3.350 7.799
111 HB3 PHE 10 HB3 PHE 10 0.942 -3.907 9.093
112 HD1 PHE 10 HD2 PHE 10 -1.379 -3.019 9.286
113 HD2 PHE 10 HD1 PHE 10 1.169 -2.034 5.972
114 HE1 PHE 10 HE2 PHE 10 -3.350 -2.236 8.002
115 HE2 PHE 10 HE1 PHE 10 -0.802 -1.255 4.687
116 HZ PHE 10 HZ PHE 10 -3.063 -1.356 5.701
117 H LYS 11 H LYS 11 1.023 -3.521 11.264
118 HA LYS 11 HA LYS 11 -1.380 -2.259 12.116
119 HB2 LYS 11 HB2 LYS 11 0.509 -4.115 13.587
120 HB3 LYS 11 HB3 LYS 11 -1.088 -3.659 14.175
121 HG2 LYS 11 HG2 LYS 11 -2.084 -4.557 12.073
122 HG3 LYS 11 HG3 LYS 11 -0.481 -5.101 11.580
123 HD2 LYS 11 HD2 LYS 11 -0.347 -6.462 13.672
124 HD3 LYS 11 HD3 LYS 11 -2.006 -5.992 14.044
125 HE2 LYS 11 HE2 LYS 11 -2.307 -6.863 11.485
126 HE3 LYS 11 HE3 LYS 11 -0.996 -7.912 12.028
127 HZ1 LYS 11 HZ1 LYS 11 -2.461 -9.106 13.147
128 HZ2 LYS 11 HZ2 LYS 11 -3.723 -8.092 12.629
129 HZ3 LYS 11 HZ3 LYS 11 -2.894 -7.752 14.073
130 H THR 12 H THR 12 1.978 -1.817 13.087
131 HA THR 12 HA THR 12 1.254 -0.059 15.312
132 HB THR 12 HB THR 12 3.677 0.276 15.541
133 HG1 THR 12 HG1 THR 12 5.020 -0.258 13.984
134 HG21 THR 12 HG21 THR 12 3.247 -1.661 16.678
135 HG22 THR 12 HG22 THR 12 4.218 -2.369 15.389
136 HG23 THR 12 HG23 THR 12 2.457 -2.418 15.296
137 H ARG 13 H ARG 13 1.535 0.322 11.929
138 HA ARG 13 HA ARG 13 1.342 3.245 12.279
139 HB2 ARG 13 HB2 ARG 13 3.556 1.917 10.701
140 HB3 ARG 13 HB3 ARG 13 3.142 3.622 10.556
141 HG2 ARG 13 HG2 ARG 13 3.500 3.831 13.051
142 HG3 ARG 13 HG3 ARG 13 4.122 2.181 13.033
143 HD2 ARG 13 HD2 ARG 13 5.796 2.902 11.300
144 HD3 ARG 13 HD3 ARG 13 5.251 4.562 11.542
145 HE ARG 13 HE ARG 13 6.924 3.020 13.378
146 HH11 ARG 13 HH21 ARG 13 4.660 5.586 12.951
147 HH12 ARG 13 HH22 ARG 13 5.178 6.455 14.356
148 HH21 ARG 13 HH11 ARG 13 7.614 4.142 15.215
149 HH22 ARG 13 HH12 ARG 13 6.851 5.638 15.638
150 H CYS 14 H CYS 14 -0.752 1.706 11.387
151 HA CYS 14 HA CYS 14 -1.141 2.801 8.718
152 HB2 CYS 14 HB2 CYS 14 0.193 0.475 8.646
153 HB3 CYS 14 HB3 CYS 14 -1.441 -0.155 8.746
154 H LEU 15 H LEU 15 -2.265 1.127 11.521
155 HA LEU 15 HA LEU 15 -4.915 0.488 10.667
156 HB2 LEU 15 HB2 LEU 15 -4.074 1.304 13.458
157 HB3 LEU 15 HB3 LEU 15 -5.445 0.287 13.011
158 HG LEU 15 HG LEU 15 -2.512 -0.360 12.662
159 HD11 LEU 15 HD11 LEU 15 -2.911 -2.106 14.260
160 HD12 LEU 15 HD12 LEU 15 -4.653 -1.838 14.208
161 HD13 LEU 15 HD13 LEU 15 -3.597 -0.632 14.943
162 HD21 LEU 15 HD21 LEU 15 -3.621 -2.629 11.938
163 HD22 LEU 15 HD22 LEU 15 -3.453 -1.327 10.761
164 HD23 LEU 15 HD23 LEU 15 -5.006 -1.609 11.550
165 H GLN 16 H GLN 16 -3.484 3.468 11.862
166 HA GLN 16 HA GLN 16 -5.767 4.937 12.535
167 HB2 GLN 16 HB2 GLN 16 -4.471 6.928 12.078
168 HB3 GLN 16 HB3 GLN 16 -3.387 5.709 12.749
169 HG2 GLN 16 HG2 GLN 16 -2.801 5.059 10.374
170 HG3 GLN 16 HG3 GLN 16 -3.702 6.479 9.837
171 HE21 GLN 16 HE21 GLN 16 -1.996 7.860 9.176
172 HE22 GLN 16 HE22 GLN 16 -0.737 8.357 10.199
173 H CYS 17 H CYS 17 -5.220 3.520 9.521
174 HA CYS 17 HA CYS 17 -7.306 5.284 8.346
175 HB2 CYS 17 HB2 CYS 17 -4.591 4.728 7.160
176 HB3 CYS 17 HB3 CYS 17 -5.952 5.259 6.175
177 H HIS 18 H HIS 18 -5.305 2.975 6.599
178 HA HIS 18 HA HIS 18 -7.404 1.654 5.327
179 HB2 HIS 18 HB2 HIS 18 -4.690 0.586 6.133
180 HB3 HIS 18 HB3 HIS 18 -5.794 -0.264 5.051
181 HD1 HIS 18 HD1 HIS 18 -6.411 0.983 2.772
182 HD2 HIS 18 HD2 HIS 18 -3.272 2.690 4.929
183 HE1 HIS 18 HE1 HIS 18 -5.232 2.574 1.186
184 H THR 19 H THR 19 -6.069 0.943 8.541
185 HA THR 19 HA THR 19 -6.812 -0.624 10.151
186 HB THR 19 HB THR 19 -9.513 -0.073 8.896
187 HG1 THR 19 HG1 THR 19 -7.744 1.601 10.052
188 HG21 THR 19 HG21 THR 19 -10.135 -0.227 11.390
189 HG22 THR 19 HG22 THR 19 -8.541 -0.944 11.615
190 HG23 THR 19 HG23 THR 19 -9.723 -1.733 10.570
191 H VAL 20 H VAL 20 -5.696 -2.066 8.251
192 HA VAL 20 HA VAL 20 -7.450 -3.815 6.782
193 HB VAL 20 HB VAL 20 -4.554 -4.119 7.583
194 HG11 VAL 20 HG11 VAL 20 -4.960 -5.611 5.306
195 HG12 VAL 20 HG12 VAL 20 -6.435 -5.919 6.222
196 HG13 VAL 20 HG13 VAL 20 -4.862 -6.271 6.938
197 HG21 VAL 20 HG21 VAL 20 -4.103 -3.358 5.315
198 HG22 VAL 20 HG22 VAL 20 -5.154 -2.183 6.107
199 HG23 VAL 20 HG23 VAL 20 -5.828 -3.330 4.949
200 H GLU 21 H GLU 21 -8.539 -3.867 9.268
201 HA GLU 21 HA GLU 21 -7.513 -6.112 10.833
202 HB2 GLU 21 HB2 GLU 21 -10.158 -4.626 10.971
203 HB3 GLU 21 HB3 GLU 21 -9.599 -5.811 12.153
204 HG2 GLU 21 HG2 GLU 21 -7.605 -4.402 12.598
205 HG3 GLU 21 HG3 GLU 21 -8.217 -3.202 11.460
206 H LYS 22 H LYS 22 -8.633 -6.159 7.889
207 HA LYS 22 HA LYS 22 -9.661 -7.773 6.548
208 HB2 LYS 22 HB2 LYS 22 -9.773 -9.504 9.020
209 HB3 LYS 22 HB3 LYS 22 -9.774 -10.021 7.336
210 HG2 LYS 22 HG2 LYS 22 -7.493 -8.600 8.737
211 HG3 LYS 22 HG3 LYS 22 -7.551 -10.308 8.329
212 HD2 LYS 22 HD2 LYS 22 -7.886 -9.586 5.902
213 HD3 LYS 22 HD3 LYS 22 -7.440 -7.964 6.433
214 HE2 LYS 22 HE2 LYS 22 -5.298 -8.576 6.138
215 HE3 LYS 22 HE3 LYS 22 -5.490 -9.592 7.566
216 HZ1 LYS 22 HZ1 LYS 22 -6.478 -11.263 5.897
217 HZ2 LYS 22 HZ2 LYS 22 -4.790 -11.080 5.970
218 HZ3 LYS 22 HZ3 LYS 22 -5.676 -10.339 4.723
219 H GLY 23 H GLY 23 -11.280 -5.802 7.475
220 HA2 GLY 23 HA2 GLY 23 -13.824 -6.278 6.976
221 HA3 GLY 23 HA3 GLY 23 -13.729 -7.127 8.520
222 H GLY 24 H GLY 24 -11.936 -4.171 7.810
223 HA2 GLY 24 HA2 GLY 24 -13.513 -2.827 9.963
224 HA3 GLY 24 HA3 GLY 24 -11.860 -2.405 9.517
225 HA PRO 25 HA PRO 25 -15.284 0.123 7.231
226 HB2 PRO 25 HB2 PRO 25 -14.706 2.510 8.554
227 HB3 PRO 25 HB3 PRO 25 -16.069 1.439 8.922
228 HG2 PRO 25 HG2 PRO 25 -13.453 1.712 10.291
229 HG3 PRO 25 HG3 PRO 25 -15.052 1.354 10.963
230 HD2 PRO 25 HD2 PRO 25 -13.154 -0.566 10.637
231 HD3 PRO 25 HD3 PRO 25 -14.893 -0.914 10.498
232 H HIS 26 H HIS 26 -14.663 1.274 5.406
233 HA HIS 26 HA HIS 26 -11.936 1.388 4.639
234 HB2 HIS 26 HB2 HIS 26 -14.334 2.936 3.631
235 HB3 HIS 26 HB3 HIS 26 -12.749 2.996 2.866
236 HD1 HIS 26 HD1 HIS 26 -11.790 0.261 2.611
237 HD2 HIS 26 HD2 HIS 26 -15.868 1.081 2.302
238 HE1 HIS 26 HE1 HIS 26 -12.819 -1.679 1.345
239 HE2 HIS 26 HE2 HIS 26 -15.302 -1.196 1.163
240 H LYS 27 H LYS 27 -14.030 3.945 5.984
241 HA LYS 27 HA LYS 27 -13.466 6.015 6.918
242 HB2 LYS 27 HB2 LYS 27 -10.768 4.681 7.334
243 HB3 LYS 27 HB3 LYS 27 -11.329 6.151 8.128
244 HG2 LYS 27 HG2 LYS 27 -13.301 4.790 8.988
245 HG3 LYS 27 HG3 LYS 27 -12.444 3.356 8.422
246 HD2 LYS 27 HD2 LYS 27 -11.309 5.388 10.367
247 HD3 LYS 27 HD3 LYS 27 -12.007 3.836 10.830
248 HE2 LYS 27 HE2 LYS 27 -10.310 2.772 9.224
249 HE3 LYS 27 HE3 LYS 27 -9.510 4.343 9.207
250 HZ1 LYS 27 HZ1 LYS 27 -9.706 4.098 11.773
251 HZ2 LYS 27 HZ2 LYS 27 -8.451 3.315 10.937
252 HZ3 LYS 27 HZ3 LYS 27 -9.826 2.443 11.423
253 H VAL 28 H VAL 28 -10.583 7.024 6.719
254 HA VAL 28 HA VAL 28 -10.921 8.551 4.337
255 HB VAL 28 HB VAL 28 -8.468 8.018 6.025
256 HG11 VAL 28 HG11 VAL 28 -7.563 8.707 3.960
257 HG12 VAL 28 HG12 VAL 28 -7.726 10.217 4.858
258 HG13 VAL 28 HG13 VAL 28 -8.916 9.790 3.627
259 HG21 VAL 28 HG21 VAL 28 -10.086 10.557 5.812
260 HG22 VAL 28 HG22 VAL 28 -8.996 10.052 7.104
261 HG23 VAL 28 HG23 VAL 28 -10.564 9.266 6.916
262 H GLY 29 H GLY 29 -8.837 5.687 4.927
263 HA2 GLY 29 HA2 GLY 29 -8.278 5.660 1.990
264 HA3 GLY 29 HA3 GLY 29 -7.253 4.905 3.205
265 HA PRO 30 HA PRO 30 -10.664 2.021 1.332
266 HB2 PRO 30 HB2 PRO 30 -8.925 0.550 -0.268
267 HB3 PRO 30 HB3 PRO 30 -9.998 1.837 -0.845
268 HG2 PRO 30 HG2 PRO 30 -7.095 1.921 -0.237
269 HG3 PRO 30 HG3 PRO 30 -8.015 2.765 -1.494
270 HD2 PRO 30 HD2 PRO 30 -7.155 4.020 0.760
271 HD3 PRO 30 HD3 PRO 30 -8.662 4.476 -0.066
272 H ASN 31 H ASN 31 -10.845 -0.211 1.983
273 HA ASN 31 HA ASN 31 -9.492 -0.984 4.318
274 HB2 ASN 31 HB2 ASN 31 -11.588 -2.035 3.232
275 HB3 ASN 31 HB3 ASN 31 -10.456 -3.003 2.287
276 HD21 ASN 31 HD21 ASN 31 -12.246 -4.169 4.236
277 HD22 ASN 31 HD22 ASN 31 -11.301 -4.807 5.492
278 H LEU 32 H LEU 32 -8.515 -1.150 1.005
279 HA LEU 32 HA LEU 32 -6.331 -1.436 0.173
280 HB2 LEU 32 HB2 LEU 32 -5.686 -1.057 2.717
281 HB3 LEU 32 HB3 LEU 32 -5.424 -2.798 2.691
282 HG LEU 32 HG LEU 32 -3.863 -2.543 0.792
283 HD11 LEU 32 HD11 LEU 32 -3.179 0.122 0.736
284 HD12 LEU 32 HD12 LEU 32 -4.933 0.210 0.891
285 HD13 LEU 32 HD13 LEU 32 -4.210 -0.666 -0.456
286 HD21 LEU 32 HD21 LEU 32 -2.424 -2.447 2.534
287 HD22 LEU 32 HD22 LEU 32 -3.507 -1.410 3.461
288 HD23 LEU 32 HD23 LEU 32 -2.404 -0.701 2.281
289 H HIS 33 H HIS 33 -8.604 -3.587 0.920
290 HA HIS 33 HA HIS 33 -7.026 -5.999 0.205
291 HB2 HIS 33 HB2 HIS 33 -9.928 -5.621 1.002
292 HB3 HIS 33 HB3 HIS 33 -9.242 -7.172 0.520
293 HD1 HIS 33 HD1 HIS 33 -6.556 -7.134 1.939
294 HD2 HIS 33 HD2 HIS 33 -10.080 -5.857 3.761
295 HE1 HIS 33 HE1 HIS 33 -6.182 -7.325 4.438
296 HE2 HIS 33 HE2 HIS 33 -8.318 -6.542 5.556
297 H GLY 34 H GLY 34 -8.832 -3.522 -1.246
298 HA2 GLY 34 HA2 GLY 34 -9.805 -5.118 -3.511
299 HA3 GLY 34 HA3 GLY 34 -9.934 -3.366 -3.346
300 H ILE 35 H ILE 35 -6.997 -3.205 -2.701
301 HA ILE 35 HA ILE 35 -6.029 -2.628 -5.308
302 HB ILE 35 HB ILE 35 -4.403 -3.299 -2.830
303 HG12 ILE 35 HG12 ILE 35 -6.121 -1.014 -3.599
304 HG13 ILE 35 HG13 ILE 35 -5.622 -1.554 -2.000
305 HG21 ILE 35 HG21 ILE 35 -3.158 -3.132 -5.037
306 HG22 ILE 35 HG22 ILE 35 -2.654 -1.967 -3.827
307 HG23 ILE 35 HG23 ILE 35 -3.713 -1.464 -5.145
308 HD11 ILE 35 HD11 ILE 35 -3.308 -0.622 -2.551
309 HD12 ILE 35 HD12 ILE 35 -4.583 0.576 -2.333
310 HD13 ILE 35 HD13 ILE 35 -4.053 0.140 -3.957
311 H PHE 36 H PHE 36 -4.226 -3.773 -6.431
312 HA PHE 36 HA PHE 36 -3.276 -5.658 -7.414
313 HB2 PHE 36 HB2 PHE 36 -4.146 -7.141 -4.912
314 HB3 PHE 36 HB3 PHE 36 -2.970 -7.680 -6.101
315 HD1 PHE 36 HD2 PHE 36 -0.778 -6.600 -6.306
316 HD2 PHE 36 HD1 PHE 36 -3.594 -5.385 -3.299
317 HE1 PHE 36 HE2 PHE 36 1.023 -5.386 -5.109
318 HE2 PHE 36 HE1 PHE 36 -1.793 -4.172 -2.102
319 HZ PHE 36 HZ PHE 36 0.517 -4.173 -3.008
320 H GLY 37 H GLY 37 -6.175 -4.889 -7.556
321 HA2 GLY 37 HA2 GLY 37 -7.532 -7.462 -8.061
322 HA3 GLY 37 HA3 GLY 37 -8.252 -5.858 -8.234
323 H ARG 38 H ARG 38 -8.966 -6.958 -10.379
324 HA ARG 38 HA ARG 38 -7.141 -7.614 -12.426
325 HB2 ARG 38 HB2 ARG 38 -9.003 -6.803 -13.997
326 HB3 ARG 38 HB3 ARG 38 -9.425 -8.079 -12.859
327 HG2 ARG 38 HG2 ARG 38 -11.041 -6.784 -11.983
328 HG3 ARG 38 HG3 ARG 38 -9.851 -5.553 -11.570
329 HD2 ARG 38 HD2 ARG 38 -10.087 -4.478 -13.691
330 HD3 ARG 38 HD3 ARG 38 -11.016 -5.824 -14.348
331 HE ARG 38 HE ARG 38 -12.442 -4.860 -12.109
332 HH11 ARG 38 HH21 ARG 38 -11.330 -3.808 -15.197
333 HH12 ARG 38 HH22 ARG 38 -12.636 -2.697 -15.438
334 HH21 ARG 38 HH11 ARG 38 -14.155 -3.414 -12.405
335 HH22 ARG 38 HH12 ARG 38 -14.236 -2.474 -13.857
336 H HIS 39 H HIS 39 -8.513 -4.404 -11.635
337 HA HIS 39 HA HIS 39 -6.204 -3.195 -13.104
338 HB2 HIS 39 HB2 HIS 39 -9.093 -2.251 -13.195
339 HB3 HIS 39 HB3 HIS 39 -7.725 -1.399 -13.908
340 HD1 HIS 39 HD1 HIS 39 -10.272 -2.837 -15.389
341 HD2 HIS 39 HD2 HIS 39 -6.322 -4.163 -15.271
342 HE1 HIS 39 HE1 HIS 39 -9.966 -4.362 -17.390
343 HE2 HIS 39 HE2 HIS 39 -7.565 -5.176 -17.326
344 H SER 40 H SER 40 -6.243 -0.659 -12.457
345 HA SER 40 HA SER 40 -5.784 -0.576 -9.639
346 HB2 SER 40 HB2 SER 40 -5.436 1.804 -9.941
347 HB3 SER 40 HB3 SER 40 -4.694 0.956 -11.282
348 HG SER 40 HG SER 40 -6.112 1.813 -12.595
349 H GLY 41 H GLY 41 -6.916 0.862 -8.090
350 HA2 GLY 41 HA2 GLY 41 -8.877 1.358 -6.906
351 HA3 GLY 41 HA3 GLY 41 -9.438 2.026 -8.436
352 H GLN 42 H GLN 42 -9.775 -0.570 -6.199
353 HA GLN 42 HA GLN 42 -11.858 -1.765 -7.973
354 HB2 GLN 42 HB2 GLN 42 -9.902 -3.383 -6.316
355 HB3 GLN 42 HB3 GLN 42 -11.158 -4.018 -7.377
356 HG2 GLN 42 HG2 GLN 42 -9.543 -4.072 -8.963
357 HG3 GLN 42 HG3 GLN 42 -9.768 -2.326 -9.056
358 HE21 GLN 42 HE21 GLN 42 -8.069 -0.990 -8.291
359 HE22 GLN 42 HE22 GLN 42 -6.638 -1.590 -7.606
360 H ALA 43 H ALA 43 -11.087 -0.449 -4.987
361 HA ALA 43 HA ALA 43 -12.654 -2.101 -3.232
362 HB1 ALA 43 HB1 ALA 43 -10.942 -0.281 -2.607
363 HB2 ALA 43 HB2 ALA 43 -12.411 -0.364 -1.634
364 HB3 ALA 43 HB3 ALA 43 -12.248 0.871 -2.882
365 H GLU 44 H GLU 44 -14.843 -2.252 -3.049
366 HA GLU 44 HA GLU 44 -16.539 -0.613 -4.781
367 HB2 GLU 44 HB2 GLU 44 -17.220 -2.742 -2.731
368 HB3 GLU 44 HB3 GLU 44 -18.385 -1.988 -3.819
369 HG2 GLU 44 HG2 GLU 44 -17.053 -2.787 -5.761
370 HG3 GLU 44 HG3 GLU 44 -15.951 -3.599 -4.647
371 H GLY 45 H GLY 45 -16.403 -1.187 -1.241
372 HA2 GLY 45 HA2 GLY 45 -18.244 0.882 -0.554
373 HA3 GLY 45 HA3 GLY 45 -17.022 0.220 0.534
374 H TYR 46 H TYR 46 -14.747 0.893 -1.057
375 HA TYR 46 HA TYR 46 -14.709 3.840 -0.620
376 HB2 TYR 46 HB2 TYR 46 -13.002 2.667 0.639
377 HB3 TYR 46 HB3 TYR 46 -12.475 1.798 -0.801
378 HD1 TYR 46 HD2 TYR 46 -11.269 2.936 -2.595
379 HD2 TYR 46 HD1 TYR 46 -12.429 5.024 0.978
380 HE1 TYR 46 HE2 TYR 46 -9.735 4.786 -3.184
381 HE2 TYR 46 HE1 TYR 46 -10.894 6.880 0.387
382 HH TYR 46 HH TYR 46 -8.727 6.657 -2.405
383 H SER 47 H SER 47 -14.077 5.219 -2.295
384 HA SER 47 HA SER 47 -13.789 3.928 -4.980
385 HB2 SER 47 HB2 SER 47 -14.837 5.920 -5.922
386 HB3 SER 47 HB3 SER 47 -15.878 5.260 -4.664
387 HG SER 47 HG SER 47 -14.243 6.878 -3.442
388 H TYR 48 H TYR 48 -12.269 4.890 -6.428
389 HA TYR 48 HA TYR 48 -10.152 6.478 -5.039
390 HB2 TYR 48 HB2 TYR 48 -10.013 4.716 -7.506
391 HB3 TYR 48 HB3 TYR 48 -8.665 5.659 -6.873
392 HD1 TYR 48 HD2 TYR 48 -11.092 2.966 -5.992
393 HD2 TYR 48 HD1 TYR 48 -7.345 4.858 -5.080
394 HE1 TYR 48 HE2 TYR 48 -10.562 1.149 -4.392
395 HE2 TYR 48 HE1 TYR 48 -6.817 3.042 -3.477
396 HH TYR 48 HH TYR 48 -8.579 0.129 -3.359
397 H THR 49 H THR 49 -9.100 8.174 -6.363
398 HA THR 49 HA THR 49 -11.000 9.893 -7.626
399 HB THR 49 HB THR 49 -9.286 11.391 -7.677
400 HG1 THR 49 HG1 THR 49 -8.502 10.128 -9.562
401 HG21 THR 49 HG21 THR 49 -8.910 9.891 -5.588
402 HG22 THR 49 HG22 THR 49 -7.613 10.981 -6.077
403 HG23 THR 49 HG23 THR 49 -7.521 9.267 -6.480
404 H ASP 50 H ASP 50 -10.998 10.527 -9.940
405 HA ASP 50 HA ASP 50 -11.203 8.275 -11.667
406 HB2 ASP 50 HB2 ASP 50 -11.427 9.910 -13.487
407 HB3 ASP 50 HB3 ASP 50 -12.372 10.416 -12.088
408 H ALA 51 H ALA 51 -8.483 10.277 -10.796
409 HA ALA 51 HA ALA 51 -6.791 9.817 -13.012
410 HB1 ALA 51 HB1 ALA 51 -4.917 10.119 -11.351
411 HB2 ALA 51 HB2 ALA 51 -6.134 10.137 -10.075
412 HB3 ALA 51 HB3 ALA 51 -6.134 11.393 -11.312
413 H ASN 52 H ASN 52 -6.976 7.886 -9.979
414 HA ASN 52 HA ASN 52 -5.165 5.859 -10.864
415 HB2 ASN 52 HB2 ASN 52 -6.077 6.194 -8.503
416 HB3 ASN 52 HB3 ASN 52 -7.531 5.354 -9.050
417 HD21 ASN 52 HD21 ASN 52 -7.222 3.367 -7.887
418 HD22 ASN 52 HD22 ASN 52 -5.906 2.335 -8.162
419 H ILE 53 H ILE 53 -8.669 6.203 -11.278
420 HA ILE 53 HA ILE 53 -9.079 3.617 -12.468
421 HB ILE 53 HB ILE 53 -10.705 6.156 -12.774
422 HG12 ILE 53 HG12 ILE 53 -11.033 3.822 -10.861
423 HG13 ILE 53 HG13 ILE 53 -10.349 5.386 -10.416
424 HG21 ILE 53 HG21 ILE 53 -12.545 4.565 -13.292
425 HG22 ILE 53 HG22 ILE 53 -11.386 3.236 -13.244
426 HG23 ILE 53 HG23 ILE 53 -11.247 4.483 -14.483
427 HD11 ILE 53 HD11 ILE 53 -12.549 6.371 -11.398
428 HD12 ILE 53 HD12 ILE 53 -12.610 5.609 -9.808
429 HD13 ILE 53 HD13 ILE 53 -13.174 4.730 -11.230
430 H LYS 54 H LYS 54 -8.630 6.854 -13.959
431 HA LYS 54 HA LYS 54 -8.945 6.016 -16.642
432 HB2 LYS 54 HB2 LYS 54 -7.302 8.249 -15.439
433 HB3 LYS 54 HB3 LYS 54 -7.508 8.031 -17.175
434 HG2 LYS 54 HG2 LYS 54 -9.976 8.135 -16.870
435 HG3 LYS 54 HG3 LYS 54 -9.728 8.455 -15.156
436 HD2 LYS 54 HD2 LYS 54 -8.391 10.474 -15.765
437 HD3 LYS 54 HD3 LYS 54 -8.777 10.179 -17.460
438 HE2 LYS 54 HE2 LYS 54 -10.806 11.127 -17.233
439 HE3 LYS 54 HE3 LYS 54 -11.180 10.111 -15.841
440 HZ1 LYS 54 HZ1 LYS 54 -9.341 11.890 -14.900
441 HZ2 LYS 54 HZ2 LYS 54 -11.019 11.958 -14.645
442 HZ3 LYS 54 HZ3 LYS 54 -10.315 12.833 -15.920
443 H LYS 55 H LYS 55 -6.038 5.995 -14.599
444 HA LYS 55 HA LYS 55 -4.195 5.303 -16.660
445 HB2 LYS 55 HB2 LYS 55 -4.135 4.519 -13.731
446 HB3 LYS 55 HB3 LYS 55 -2.767 4.433 -14.839
447 HG2 LYS 55 HG2 LYS 55 -4.272 6.992 -14.244
448 HG3 LYS 55 HG3 LYS 55 -2.809 6.505 -13.392
449 HD2 LYS 55 HD2 LYS 55 -1.750 6.293 -15.747
450 HD3 LYS 55 HD3 LYS 55 -3.132 7.239 -16.301
451 HE2 LYS 55 HE2 LYS 55 -2.331 8.666 -14.098
452 HE3 LYS 55 HE3 LYS 55 -0.791 8.092 -14.737
453 HZ1 LYS 55 HZ1 LYS 55 -2.007 10.265 -15.631
454 HZ2 LYS 55 HZ2 LYS 55 -2.696 9.119 -16.680
455 HZ3 LYS 55 HZ3 LYS 55 -1.008 9.302 -16.608
456 H ASN 56 H ASN 56 -6.405 3.321 -14.738
457 HA ASN 56 HA ASN 56 -6.937 1.040 -14.926
458 HB2 ASN 56 HB2 ASN 56 -7.549 1.982 -17.234
459 HB3 ASN 56 HB3 ASN 56 -6.014 1.317 -17.794
460 HD21 ASN 56 HD21 ASN 56 -6.544 -0.887 -15.574
461 HD22 ASN 56 HD22 ASN 56 -7.568 -1.974 -16.380
462 H VAL 57 H VAL 57 -4.571 1.276 -13.727
463 HA VAL 57 HA VAL 57 -2.717 -0.558 -15.174
464 HB VAL 57 HB VAL 57 -1.762 1.657 -14.619
465 HG11 VAL 57 HG11 VAL 57 -2.270 0.822 -11.747
466 HG12 VAL 57 HG12 VAL 57 -3.189 2.055 -12.611
467 HG13 VAL 57 HG13 VAL 57 -1.475 2.305 -12.278
468 HG21 VAL 57 HG21 VAL 57 -0.317 -0.358 -14.626
469 HG22 VAL 57 HG22 VAL 57 -0.667 -0.603 -12.916
470 HG23 VAL 57 HG23 VAL 57 0.231 0.822 -13.436
471 H LEU 58 H LEU 58 -1.863 -2.336 -14.037
472 HA LEU 58 HA LEU 58 -3.569 -3.295 -11.836
473 HB2 LEU 58 HB2 LEU 58 -3.002 -4.842 -13.641
474 HB3 LEU 58 HB3 LEU 58 -1.286 -4.583 -13.358
475 HG LEU 58 HG LEU 58 -1.518 -5.528 -11.084
476 HD11 LEU 58 HD11 LEU 58 -3.817 -6.819 -10.839
477 HD12 LEU 58 HD12 LEU 58 -4.395 -5.545 -11.912
478 HD13 LEU 58 HD13 LEU 58 -3.683 -5.129 -10.353
479 HD21 LEU 58 HD21 LEU 58 -1.091 -7.527 -12.029
480 HD22 LEU 58 HD22 LEU 58 -1.726 -6.909 -13.555
481 HD23 LEU 58 HD23 LEU 58 -2.799 -7.732 -12.422
482 H TRP 59 H TRP 59 -2.961 -3.208 -9.714
483 HA TRP 59 HA TRP 59 -0.380 -1.998 -9.030
484 HB2 TRP 59 HB2 TRP 59 -2.800 -2.877 -7.463
485 HB3 TRP 59 HB3 TRP 59 -1.301 -2.477 -6.632
486 HD1 TRP 59 HD1 TRP 59 -4.324 -0.931 -8.007
487 HE1 TRP 59 HE1 TRP 59 -4.098 1.647 -8.105
488 HE3 TRP 59 HE3 TRP 59 0.671 -0.489 -7.133
489 HZ2 TRP 59 HZ2 TRP 59 -2.047 3.611 -7.826
490 HZ3 TRP 59 HZ3 TRP 59 1.740 1.740 -7.037
491 HH2 TRP 59 HH2 TRP 59 0.392 3.792 -7.383
492 H ASP 60 H ASP 60 1.390 -3.077 -8.195
493 HA ASP 60 HA ASP 60 1.126 -5.885 -7.335
494 HB2 ASP 60 HB2 ASP 60 1.460 -5.971 -9.816
495 HB3 ASP 60 HB3 ASP 60 3.001 -5.145 -9.598
496 H GLU 61 H GLU 61 3.487 -6.680 -6.790
497 HA GLU 61 HA GLU 61 4.509 -4.952 -4.768
498 HB2 GLU 61 HB2 GLU 61 5.829 -7.283 -6.185
499 HB3 GLU 61 HB3 GLU 61 6.461 -6.514 -4.730
500 HG2 GLU 61 HG2 GLU 61 4.340 -7.051 -3.552
501 HG3 GLU 61 HG3 GLU 61 3.770 -7.883 -4.999
502 H ASN 62 H ASN 62 5.533 -5.498 -8.120
503 HA ASN 62 HA ASN 62 7.903 -3.890 -7.994
504 HB2 ASN 62 HB2 ASN 62 6.068 -4.504 -10.328
505 HB3 ASN 62 HB3 ASN 62 7.661 -3.766 -10.473
506 HD21 ASN 62 HD21 ASN 62 9.112 -5.289 -8.569
507 HD22 ASN 62 HD22 ASN 62 9.167 -6.906 -9.080
508 H ASN 63 H ASN 63 4.550 -3.132 -8.881
509 HA ASN 63 HA ASN 63 4.999 -0.382 -9.530
510 HB2 ASN 63 HB2 ASN 63 2.507 -1.727 -8.439
511 HB3 ASN 63 HB3 ASN 63 2.559 -0.126 -9.178
512 HD21 ASN 63 HD21 ASN 63 1.179 -2.660 -10.129
513 HD22 ASN 63 HD22 ASN 63 1.767 -2.909 -11.701
514 H MET 64 H MET 64 4.235 -2.021 -6.478
515 HA MET 64 HA MET 64 3.804 0.315 -4.908
516 HB2 MET 64 HB2 MET 64 4.841 -2.433 -4.180
517 HB3 MET 64 HB3 MET 64 4.497 -1.186 -2.979
518 HG2 MET 64 HG2 MET 64 2.490 -2.219 -5.001
519 HG3 MET 64 HG3 MET 64 2.582 -2.758 -3.324
520 HE1 MET 64 HE1 MET 64 -0.492 -0.234 -4.229
521 HE2 MET 64 HE2 MET 64 -0.243 -1.808 -3.477
522 HE3 MET 64 HE3 MET 64 0.334 -1.520 -5.118
523 H SER 65 H SER 65 6.795 -1.400 -5.773
524 HA SER 65 HA SER 65 8.542 0.028 -4.038
525 HB2 SER 65 HB2 SER 65 9.162 -0.977 -6.830
526 HB3 SER 65 HB3 SER 65 10.330 -0.639 -5.556
527 HG SER 65 HG SER 65 9.581 -2.905 -5.867
528 H GLU 66 H GLU 66 7.397 0.754 -7.319
529 HA GLU 66 HA GLU 66 8.894 3.211 -7.559
530 HB2 GLU 66 HB2 GLU 66 6.420 2.214 -9.004
531 HB3 GLU 66 HB3 GLU 66 7.335 3.647 -9.464
532 HG2 GLU 66 HG2 GLU 66 8.477 0.844 -9.297
533 HG3 GLU 66 HG3 GLU 66 8.007 1.657 -10.791
534 H TYR 67 H TYR 67 5.711 2.345 -6.333
535 HA TYR 67 HA TYR 67 4.559 4.935 -6.194
536 HB2 TYR 67 HB2 TYR 67 3.272 2.885 -5.788
537 HB3 TYR 67 HB3 TYR 67 4.200 2.579 -4.320
538 HD1 TYR 67 HD2 TYR 67 1.783 4.884 -5.925
539 HD2 TYR 67 HD1 TYR 67 3.741 3.749 -2.284
540 HE1 TYR 67 HE2 TYR 67 0.231 6.335 -4.642
541 HE2 TYR 67 HE1 TYR 67 2.194 5.198 -0.995
542 HH TYR 67 HH TYR 67 0.704 6.953 -1.224
543 H LEU 68 H LEU 68 6.444 3.176 -3.711
544 HA LEU 68 HA LEU 68 6.395 5.364 -1.846
545 HB2 LEU 68 HB2 LEU 68 8.202 2.952 -2.098
546 HB3 LEU 68 HB3 LEU 68 8.232 4.064 -0.733
547 HG LEU 68 HG LEU 68 5.752 2.585 -1.657
548 HD11 LEU 68 HD11 LEU 68 6.105 0.998 0.055
549 HD12 LEU 68 HD12 LEU 68 7.340 1.986 0.835
550 HD13 LEU 68 HD13 LEU 68 7.692 1.176 -0.692
551 HD21 LEU 68 HD21 LEU 68 4.914 4.356 -0.432
552 HD22 LEU 68 HD22 LEU 68 6.394 4.547 0.505
553 HD23 LEU 68 HD23 LEU 68 5.265 3.249 0.892
554 H THR 69 H THR 69 8.772 4.302 -4.265
555 HA THR 69 HA THR 69 10.700 6.351 -3.568
556 HB THR 69 HB THR 69 11.842 5.694 -5.618
557 HG1 THR 69 HG1 THR 69 9.412 5.299 -6.474
558 HG21 THR 69 HG21 THR 69 10.880 3.801 -3.641
559 HG22 THR 69 HG22 THR 69 12.472 3.915 -4.392
560 HG23 THR 69 HG23 THR 69 11.185 3.005 -5.184
561 H ASN 70 H ASN 70 8.129 6.081 -5.998
562 HA ASN 70 HA ASN 70 8.077 9.028 -6.216
563 HB2 ASN 70 HB2 ASN 70 8.426 7.220 -8.630
564 HB3 ASN 70 HB3 ASN 70 8.146 8.961 -8.686
565 HD21 ASN 70 HD21 ASN 70 10.595 7.081 -9.341
566 HD22 ASN 70 HD22 ASN 70 11.889 7.888 -8.596
567 H HIS 71 H HIS 71 5.950 9.604 -6.106
568 HA HIS 71 HA HIS 71 3.939 7.812 -7.374
569 HB2 HIS 71 HB2 HIS 71 2.471 8.339 -5.301
570 HB3 HIS 71 HB3 HIS 71 3.725 7.111 -5.133
571 HD1 HIS 71 HD1 HIS 71 2.459 9.869 -3.340
572 HD2 HIS 71 HD2 HIS 71 6.329 8.620 -4.269
573 HE1 HIS 71 HE1 HIS 71 3.998 11.000 -1.674
574 HE2 HIS 71 HE2 HIS 71 6.355 10.247 -2.230
575 H ALA 72 H ALA 72 1.712 9.009 -7.294
576 HA ALA 72 HA ALA 72 0.429 10.926 -7.766
577 HB1 ALA 72 HB1 ALA 72 1.072 12.944 -6.862
578 HB2 ALA 72 HB2 ALA 72 2.745 12.767 -7.391
579 HB3 ALA 72 HB3 ALA 72 2.172 11.892 -5.971
580 H LYS 73 H LYS 73 3.641 10.519 -9.113
581 HA LYS 73 HA LYS 73 3.445 12.341 -11.290
582 HB2 LYS 73 HB2 LYS 73 4.894 9.686 -11.102
583 HB3 LYS 73 HB3 LYS 73 5.138 10.870 -12.386
584 HG2 LYS 73 HG2 LYS 73 5.760 12.559 -10.652
585 HG3 LYS 73 HG3 LYS 73 5.632 11.298 -9.426
586 HD2 LYS 73 HD2 LYS 73 7.346 9.971 -10.667
587 HD3 LYS 73 HD3 LYS 73 7.528 11.318 -11.792
588 HE2 LYS 73 HE2 LYS 73 7.705 12.173 -9.004
589 HE3 LYS 73 HE3 LYS 73 8.940 10.984 -9.420
590 HZ1 LYS 73 HZ1 LYS 73 8.584 12.939 -11.471
591 HZ2 LYS 73 HZ2 LYS 73 10.004 12.455 -10.674
592 HZ3 LYS 73 HZ3 LYS 73 9.011 13.653 -9.992
593 H TYR 74 H TYR 74 2.332 8.985 -10.970
594 HA TYR 74 HA TYR 74 0.847 9.344 -13.545
595 HB2 TYR 74 HB2 TYR 74 1.243 7.072 -14.110
596 HB3 TYR 74 HB3 TYR 74 2.802 7.690 -13.564
597 HD1 TYR 74 HD1 TYR 74 3.524 7.271 -11.178
598 HD2 TYR 74 HD2 TYR 74 0.150 5.313 -12.959
599 HE1 TYR 74 HE1 TYR 74 3.608 5.528 -9.412
600 HE2 TYR 74 HE2 TYR 74 0.224 3.570 -11.193
601 HH TYR 74 HH TYR 74 2.840 3.074 -9.215
602 H ILE 75 H ILE 75 0.465 9.218 -10.325
603 HA ILE 75 HA ILE 75 -2.211 7.889 -10.547
604 HB ILE 75 HB ILE 75 -1.595 7.588 -7.908
605 HG12 ILE 75 HG12 ILE 75 1.004 6.934 -9.254
606 HG13 ILE 75 HG13 ILE 75 0.724 8.564 -8.648
607 HG21 ILE 75 HG21 ILE 75 -1.224 5.854 -10.327
608 HG22 ILE 75 HG22 ILE 75 -2.345 5.662 -8.978
609 HG23 ILE 75 HG23 ILE 75 -0.641 5.263 -8.773
610 HD11 ILE 75 HD11 ILE 75 0.479 7.831 -6.424
611 HD12 ILE 75 HD12 ILE 75 1.815 6.858 -7.040
612 HD13 ILE 75 HD13 ILE 75 0.197 6.161 -6.917
613 HA PRO 76 HA PRO 76 -4.321 11.405 -8.965
614 HB2 PRO 76 HB2 PRO 76 -4.893 10.237 -6.351
615 HB3 PRO 76 HB3 PRO 76 -6.009 10.618 -7.669
616 HG2 PRO 76 HG2 PRO 76 -4.890 8.066 -6.921
617 HG3 PRO 76 HG3 PRO 76 -6.153 8.429 -8.105
618 HD2 PRO 76 HD2 PRO 76 -3.636 7.504 -8.760
619 HD3 PRO 76 HD3 PRO 76 -4.678 8.409 -9.866
620 H GLY 77 H GLY 77 -3.758 13.253 -7.797
621 HA2 GLY 77 HA2 GLY 77 -1.165 13.296 -6.520
622 HA3 GLY 77 HA3 GLY 77 -2.292 14.651 -6.602
623 H THR 78 H THR 78 -3.656 11.776 -5.341
624 HA THR 78 HA THR 78 -4.411 12.886 -2.878
625 HB THR 78 HB THR 78 -5.076 10.615 -4.001
626 HG1 THR 78 HG1 THR 78 -6.079 11.220 -2.152
627 HG21 THR 78 HG21 THR 78 -2.991 9.597 -2.066
628 HG22 THR 78 HG22 THR 78 -2.656 9.794 -3.787
629 HG23 THR 78 HG23 THR 78 -3.915 8.680 -3.256
630 H LYS 79 H LYS 79 -3.318 13.330 -1.013
631 HA LYS 79 HA LYS 79 -0.456 12.557 -0.880
632 HB2 LYS 79 HB2 LYS 79 -2.102 14.485 0.790
633 HB3 LYS 79 HB3 LYS 79 -0.376 14.194 1.004
634 HG2 LYS 79 HG2 LYS 79 -0.005 14.890 -1.366
635 HG3 LYS 79 HG3 LYS 79 -1.719 15.289 -1.483
636 HD2 LYS 79 HD2 LYS 79 -1.438 16.872 0.430
637 HD3 LYS 79 HD3 LYS 79 0.294 16.536 0.411
638 HE2 LYS 79 HE2 LYS 79 -0.068 18.551 -0.869
639 HE3 LYS 79 HE3 LYS 79 0.321 17.262 -2.007
640 HZ1 LYS 79 HZ1 LYS 79 -2.404 18.224 -1.324
641 HZ2 LYS 79 HZ2 LYS 79 -2.053 16.946 -2.387
642 HZ3 LYS 79 HZ3 LYS 79 -1.573 18.530 -2.770
643 H MET 80 H MET 80 0.326 11.174 0.702
644 HA MET 80 HA MET 80 -1.728 9.952 2.496
645 HB2 MET 80 HB2 MET 80 -0.560 8.528 0.690
646 HB3 MET 80 HB3 MET 80 0.889 8.676 1.682
647 HG2 MET 80 HG2 MET 80 0.037 7.349 3.370
648 HG3 MET 80 HG3 MET 80 -1.635 7.801 3.038
649 HE1 MET 80 HE1 MET 80 0.957 4.709 0.866
650 HE2 MET 80 HE2 MET 80 1.209 5.340 2.490
651 HE3 MET 80 HE3 MET 80 1.422 6.399 1.099
652 H ALA 81 H ALA 81 -1.392 10.101 4.665
653 HA ALA 81 HA ALA 81 0.731 11.770 5.685
654 HB1 ALA 81 HB1 ALA 81 -1.618 10.353 6.761
655 HB2 ALA 81 HB2 ALA 81 -0.975 11.943 7.174
656 HB3 ALA 81 HB3 ALA 81 -0.275 10.495 7.896
657 H PHE 82 H PHE 82 0.613 8.453 4.893
658 HA PHE 82 HA PHE 82 2.187 7.231 6.872
659 HB2 PHE 82 HB2 PHE 82 1.197 5.992 4.984
660 HB3 PHE 82 HB3 PHE 82 2.335 6.767 3.880
661 HD1 PHE 82 HD2 PHE 82 2.118 4.575 6.890
662 HD2 PHE 82 HD1 PHE 82 4.552 5.942 3.618
663 HE1 PHE 82 HE2 PHE 82 3.824 2.862 7.441
664 HE2 PHE 82 HE1 PHE 82 6.255 4.229 4.176
665 HZ PHE 82 HZ PHE 82 5.889 2.691 6.083
666 H GLY 83 H GLY 83 3.299 9.109 4.042
667 HA2 GLY 83 HA2 GLY 83 5.374 10.157 3.681
668 HA3 GLY 83 HA3 GLY 83 5.649 10.029 5.421
669 H GLY 84 H GLY 84 7.626 9.507 3.332
670 HA2 GLY 84 HA2 GLY 84 7.941 6.711 2.847
671 HA3 GLY 84 HA3 GLY 84 9.248 7.890 2.814
672 H LEU 85 H LEU 85 9.581 5.282 3.860
673 HA LEU 85 HA LEU 85 9.479 5.535 6.800
674 HB2 LEU 85 HB2 LEU 85 10.026 3.343 4.848
675 HB3 LEU 85 HB3 LEU 85 10.731 3.206 6.457
676 HG LEU 85 HG LEU 85 7.823 3.902 6.125
677 HD11 LEU 85 HD11 LEU 85 9.182 1.252 5.785
678 HD12 LEU 85 HD12 LEU 85 7.767 1.893 4.951
679 HD13 LEU 85 HD13 LEU 85 7.621 1.301 6.605
680 HD21 LEU 85 HD21 LEU 85 8.847 2.153 8.282
681 HD22 LEU 85 HD22 LEU 85 7.741 3.524 8.378
682 HD23 LEU 85 HD23 LEU 85 9.483 3.798 8.292
683 H LYS 86 H LYS 86 11.216 6.113 8.024
684 HA LYS 86 HA LYS 86 13.626 7.104 6.847
685 HB2 LYS 86 HB2 LYS 86 13.068 6.187 9.688
686 HB3 LYS 86 HB3 LYS 86 14.500 7.086 9.188
687 HG2 LYS 86 HG2 LYS 86 13.015 8.910 8.349
688 HG3 LYS 86 HG3 LYS 86 11.627 8.028 8.987
689 HD2 LYS 86 HD2 LYS 86 12.673 8.101 11.254
690 HD3 LYS 86 HD3 LYS 86 13.969 9.096 10.588
691 HE2 LYS 86 HE2 LYS 86 11.831 10.489 9.695
692 HE3 LYS 86 HE3 LYS 86 11.144 9.809 11.170
693 HZ1 LYS 86 HZ1 LYS 86 12.819 11.991 10.967
694 HZ2 LYS 86 HZ2 LYS 86 13.774 10.755 11.634
695 HZ3 LYS 86 HZ3 LYS 86 12.322 11.212 12.389
696 H LYS 87 H LYS 87 12.702 3.960 8.162
697 HA LYS 87 HA LYS 87 15.419 2.905 7.547
698 HB2 LYS 87 HB2 LYS 87 13.088 1.676 9.053
699 HB3 LYS 87 HB3 LYS 87 14.642 0.884 8.784
700 HG2 LYS 87 HG2 LYS 87 15.767 2.786 9.947
701 HG3 LYS 87 HG3 LYS 87 14.179 3.469 10.302
702 HD2 LYS 87 HD2 LYS 87 13.581 1.348 11.484
703 HD3 LYS 87 HD3 LYS 87 15.230 0.777 11.222
704 HE2 LYS 87 HE2 LYS 87 15.136 1.736 13.436
705 HE3 LYS 87 HE3 LYS 87 16.048 2.846 12.412
706 HZ1 LYS 87 HZ1 LYS 87 14.570 4.423 12.816
707 HZ2 LYS 87 HZ2 LYS 87 13.751 3.383 13.881
708 HZ3 LYS 87 HZ3 LYS 87 13.304 3.451 12.243
709 H GLU 88 H GLU 88 15.575 2.232 5.475
710 HA GLU 88 HA GLU 88 13.342 1.530 3.818
711 HB2 GLU 88 HB2 GLU 88 16.302 0.960 3.495
712 HB3 GLU 88 HB3 GLU 88 15.093 0.715 2.235
713 HG2 GLU 88 HG2 GLU 88 14.484 3.119 2.380
714 HG3 GLU 88 HG3 GLU 88 15.753 3.349 3.584
715 H LYS 89 H LYS 89 15.517 -0.398 5.835
716 HA LYS 89 HA LYS 89 14.967 -2.959 4.775
717 HB2 LYS 89 HB2 LYS 89 16.656 -2.470 6.553
718 HB3 LYS 89 HB3 LYS 89 15.335 -2.271 7.704
719 HG2 LYS 89 HG2 LYS 89 14.586 -4.590 7.216
720 HG3 LYS 89 HG3 LYS 89 15.963 -4.786 6.130
721 HD2 LYS 89 HD2 LYS 89 17.484 -4.255 8.053
722 HD3 LYS 89 HD3 LYS 89 16.071 -4.246 9.111
723 HE2 LYS 89 HE2 LYS 89 15.623 -6.613 8.040
724 HE3 LYS 89 HE3 LYS 89 17.349 -6.553 7.682
725 HZ1 LYS 89 HZ1 LYS 89 17.493 -7.385 9.754
726 HZ2 LYS 89 HZ2 LYS 89 15.988 -6.764 10.240
727 HZ3 LYS 89 HZ3 LYS 89 17.356 -5.757 10.209
728 H ASP 90 H ASP 90 13.207 -1.182 7.322
729 HA ASP 90 HA ASP 90 11.213 -3.182 7.746
730 HB2 ASP 90 HB2 ASP 90 11.119 -0.171 8.097
731 HB3 ASP 90 HB3 ASP 90 9.871 -1.274 8.672
732 H ARG 91 H ARG 91 11.478 -0.506 5.459
733 HA ARG 91 HA ARG 91 8.848 -0.534 4.417
734 HB2 ARG 91 HB2 ARG 91 10.589 1.173 3.888
735 HB3 ARG 91 HB3 ARG 91 11.418 -0.025 2.894
736 HG2 ARG 91 HG2 ARG 91 9.349 -0.261 1.520
737 HG3 ARG 91 HG3 ARG 91 8.608 1.028 2.469
738 HD2 ARG 91 HD2 ARG 91 11.158 1.294 0.849
739 HD3 ARG 91 HD3 ARG 91 9.577 1.910 0.369
740 HE ARG 91 HE ARG 91 10.171 2.968 2.936
741 HH11 ARG 91 HH21 ARG 91 11.273 3.046 -0.330
742 HH12 ARG 91 HH22 ARG 91 11.891 4.660 -0.223
743 HH21 ARG 91 HH11 ARG 91 10.974 5.075 3.094
744 HH22 ARG 91 HH12 ARG 91 11.723 5.809 1.716
745 H ASN 92 H ASN 92 11.673 -2.505 3.506
746 HA ASN 92 HA ASN 92 10.493 -3.795 1.271
747 HB2 ASN 92 HB2 ASN 92 12.538 -4.816 3.260
748 HB3 ASN 92 HB3 ASN 92 12.157 -5.602 1.730
749 HD21 ASN 92 HD21 ASN 92 14.785 -4.590 2.254
750 HD22 ASN 92 HD22 ASN 92 15.071 -3.278 1.217
751 H ASP 93 H ASP 93 10.522 -4.733 4.710
752 HA ASP 93 HA ASP 93 9.006 -7.137 4.351
753 HB2 ASP 93 HB2 ASP 93 9.318 -5.313 6.751
754 HB3 ASP 93 HB3 ASP 93 8.540 -6.892 6.804
755 H LEU 94 H LEU 94 8.084 -3.773 4.894
756 HA LEU 94 HA LEU 94 5.326 -4.158 5.445
757 HB2 LEU 94 HB2 LEU 94 6.647 -1.997 5.580
758 HB3 LEU 94 HB3 LEU 94 6.498 -1.884 3.832
759 HG LEU 94 HG LEU 94 4.015 -2.012 4.071
760 HD11 LEU 94 HD11 LEU 94 4.825 -2.303 6.925
761 HD12 LEU 94 HD12 LEU 94 3.452 -3.003 6.070
762 HD13 LEU 94 HD13 LEU 94 3.398 -1.322 6.597
763 HD21 LEU 94 HD21 LEU 94 4.279 0.266 5.736
764 HD22 LEU 94 HD22 LEU 94 4.226 0.231 3.973
765 HD23 LEU 94 HD23 LEU 94 5.776 0.152 4.810
766 H ILE 95 H ILE 95 7.012 -3.757 2.336
767 HA ILE 95 HA ILE 95 4.740 -3.742 0.661
768 HB ILE 95 HB ILE 95 7.477 -4.929 0.117
769 HG12 ILE 95 HG12 ILE 95 6.367 -2.174 -0.513
770 HG13 ILE 95 HG13 ILE 95 7.438 -2.522 0.843
771 HG21 ILE 95 HG21 ILE 95 5.210 -4.070 -1.694
772 HG22 ILE 95 HG22 ILE 95 5.890 -5.689 -1.535
773 HG23 ILE 95 HG23 ILE 95 6.847 -4.398 -2.262
774 HD11 ILE 95 HD11 ILE 95 9.203 -2.297 -0.531
775 HD12 ILE 95 HD12 ILE 95 8.130 -2.061 -1.910
776 HD13 ILE 95 HD13 ILE 95 8.630 -3.688 -1.450
777 H THR 96 H THR 96 6.634 -6.495 1.892
778 HA THR 96 HA THR 96 5.226 -8.548 0.523
779 HB THR 96 HB THR 96 6.312 -8.752 3.346
780 HG1 THR 96 HG1 THR 96 7.703 -9.144 0.914
781 HG21 THR 96 HG21 THR 96 6.881 -11.083 2.414
782 HG22 THR 96 HG22 THR 96 5.774 -10.693 1.098
783 HG23 THR 96 HG23 THR 96 5.184 -10.752 2.760
784 H TYR 97 H TYR 97 4.538 -6.900 3.589
785 HA TYR 97 HA TYR 97 2.314 -8.486 4.390
786 HB2 TYR 97 HB2 TYR 97 3.425 -6.830 5.860
787 HB3 TYR 97 HB3 TYR 97 2.780 -5.525 4.863
788 HD1 TYR 97 HD1 TYR 97 1.925 -8.227 7.232
789 HD2 TYR 97 HD2 TYR 97 0.436 -4.916 4.939
790 HE1 TYR 97 HE1 TYR 97 -0.196 -8.291 8.517
791 HE2 TYR 97 HE2 TYR 97 -1.684 -4.979 6.224
792 HH TYR 97 HH TYR 97 -2.974 -6.823 7.550
793 H LEU 98 H LEU 98 2.511 -5.660 2.232
794 HA LEU 98 HA LEU 98 -0.251 -5.178 1.910
795 HB2 LEU 98 HB2 LEU 98 2.176 -4.733 0.238
796 HB3 LEU 98 HB3 LEU 98 0.625 -4.652 -0.585
797 HG LEU 98 HG LEU 98 1.607 -2.468 0.411
798 HD11 LEU 98 HD11 LEU 98 -1.218 -3.439 0.868
799 HD12 LEU 98 HD12 LEU 98 -0.604 -2.451 -0.455
800 HD13 LEU 98 HD13 LEU 98 -0.728 -1.772 1.166
801 HD21 LEU 98 HD21 LEU 98 1.537 -2.104 2.682
802 HD22 LEU 98 HD22 LEU 98 1.864 -3.832 2.699
803 HD23 LEU 98 HD23 LEU 98 0.219 -3.244 2.940
804 H LYS 99 H LYS 99 1.841 -7.515 0.243
805 HA LYS 99 HA LYS 99 -0.096 -8.484 -1.598
806 HB2 LYS 99 HB2 LYS 99 2.332 -9.088 -1.634
807 HB3 LYS 99 HB3 LYS 99 2.067 -10.098 -0.211
808 HG2 LYS 99 HG2 LYS 99 0.458 -11.469 -1.443
809 HG3 LYS 99 HG3 LYS 99 0.626 -10.430 -2.858
810 HD2 LYS 99 HD2 LYS 99 2.019 -12.384 -3.192
811 HD3 LYS 99 HD3 LYS 99 3.074 -11.002 -2.904
812 HE2 LYS 99 HE2 LYS 99 3.615 -11.700 -0.733
813 HE3 LYS 99 HE3 LYS 99 2.178 -12.714 -0.599
814 HZ1 LYS 99 HZ1 LYS 99 4.168 -13.333 -2.664
815 HZ2 LYS 99 HZ2 LYS 99 3.114 -14.375 -1.832
816 HZ3 LYS 99 HZ3 LYS 99 4.499 -13.766 -1.059
817 H LYS 100 H LYS 100 0.568 -9.371 1.776
818 HA LYS 100 HA LYS 100 -1.240 -11.567 1.931
819 HB2 LYS 100 HB2 LYS 100 0.460 -10.985 3.674
820 HB3 LYS 100 HB3 LYS 100 -0.550 -9.617 4.146
821 HG2 LYS 100 HG2 LYS 100 -2.391 -11.116 4.708
822 HG3 LYS 100 HG3 LYS 100 -1.469 -12.507 4.134
823 HD2 LYS 100 HD2 LYS 100 -1.278 -12.425 6.547
824 HD3 LYS 100 HD3 LYS 100 0.282 -11.972 5.857
825 HE2 LYS 100 HE2 LYS 100 -0.003 -9.704 6.371
826 HE3 LYS 100 HE3 LYS 100 -1.755 -9.854 6.506
827 HZ1 LYS 100 HZ1 LYS 100 -0.825 -11.575 8.383
828 HZ2 LYS 100 HZ2 LYS 100 -1.389 -10.000 8.681
829 HZ3 LYS 100 HZ3 LYS 100 0.274 -10.288 8.487
830 H ALA 101 H ALA 101 -1.766 -8.076 2.253
831 HA ALA 101 HA ALA 101 -4.418 -8.193 3.281
832 HB1 ALA 101 HB1 ALA 101 -3.946 -5.985 3.290
833 HB2 ALA 101 HB2 ALA 101 -4.358 -5.979 1.575
834 HB3 ALA 101 HB3 ALA 101 -2.680 -6.188 2.078
835 H THR 102 H THR 102 -3.160 -8.473 -0.008
836 HA THR 102 HA THR 102 -5.952 -8.835 -1.001
837 HB THR 102 HB THR 102 -4.146 -7.229 -2.071
838 HG1 THR 102 HG1 THR 102 -6.262 -8.520 -2.933
839 HG21 THR 102 HG21 THR 102 -2.583 -9.321 -2.214
840 HG22 THR 102 HG22 THR 102 -2.641 -8.202 -3.573
841 HG23 THR 102 HG23 THR 102 -3.538 -9.717 -3.642
842 H GLU 103 H GLU 103 -3.517 -10.675 0.206
843 HA GLU 103 HA GLU 103 -2.803 -12.899 -0.140
844 HB2 GLU 103 HB2 GLU 103 -5.142 -13.123 0.733
845 HB3 GLU 103 HB3 GLU 103 -5.716 -13.189 -0.934
846 HG2 GLU 103 HG2 GLU 103 -4.245 -15.164 -1.327
847 HG3 GLU 103 HG3 GLU 103 -3.790 -15.129 0.377
848 HHA HEC 104 HA HEC 104 -4.141 4.263 -1.916
849 HHB HEC 104 HB HEC 104 0.302 1.100 1.230
850 HHC HEC 104 HC HEC 104 -1.014 4.465 6.452
851 HHD HEC 104 HD HEC 104 -5.413 7.668 3.254
852 HMA1 HEC 104 1HMA HEC 104 -1.183 0.081 -2.072
853 HMA2 HEC 104 2HMA HEC 104 -0.559 -0.167 -0.445
854 HMA3 HEC 104 3HMA HEC 104 0.398 0.722 -1.628
855 HAA1 HEC 104 1HAA HEC 104 -1.738 1.783 -3.468
856 HAA2 HEC 104 2HAA HEC 104 -3.222 2.713 -3.328
857 HBA1 HEC 104 1HBA HEC 104 -0.430 3.651 -3.751
858 HBA2 HEC 104 2HBA HEC 104 -1.485 4.671 -2.772
859 HMB1 HEC 104 1HMB HEC 104 1.970 0.964 2.529
860 HMB2 HEC 104 2HMB HEC 104 2.687 1.918 3.810
861 HMB3 HEC 104 3HMB HEC 104 1.951 0.356 4.171
862 HAB HEC 104 HAB HEC 104 0.393 2.893 7.049
863 HBB1 HEC 104 1HBB HEC 104 2.447 1.612 5.979
864 HBB2 HEC 104 2HBB HEC 104 1.467 0.196 6.355
865 HBB3 HEC 104 3HBB HEC 104 1.960 1.308 7.627
866 HMC1 HEC 104 1HMC HEC 104 -2.701 7.724 7.567
867 HMC2 HEC 104 2HMC HEC 104 -1.191 6.965 7.064
868 HMC3 HEC 104 3HMC HEC 104 -2.350 6.062 8.041
869 HAC HEC 104 HAC HEC 104 -5.941 7.528 5.448
870 HBC1 HEC 104 1HBC HEC 104 -4.025 9.460 5.345
871 HBC2 HEC 104 2HBC HEC 104 -5.653 9.735 5.966
872 HBC3 HEC 104 3HBC HEC 104 -4.328 9.401 7.082
873 HMD1 HEC 104 1HMD HEC 104 -6.290 8.591 -0.328
874 HMD2 HEC 104 2HMD HEC 104 -5.735 8.888 1.320
875 HMD3 HEC 104 3HMD HEC 104 -7.287 8.098 1.041
876 HAD1 HEC 104 1HAD HEC 104 -7.104 6.659 -1.468
877 HAD2 HEC 104 2HAD HEC 104 -6.696 4.955 -1.597
878 HBD1 HEC 104 1HBD HEC 104 -4.516 6.439 -2.674
879 HBD2 HEC 104 2HBD HEC 104 -5.628 5.364 -3.521
Start of MODEL 3
1 H1 THR -5 H1 THR -5 12.419 -7.078 -7.561
2 H2 THR -5 H2 THR -5 13.214 -8.580 -7.584
3 H3 THR -5 H3 THR -5 12.796 -7.814 -9.042
4 HA THR -5 HA THR -5 15.227 -7.692 -7.992
5 HB THR -5 HB THR -5 15.403 -5.486 -9.294
6 HG1 THR -5 HG1 THR -5 13.567 -4.547 -9.599
7 HG21 THR -5 HG21 THR -5 14.140 -7.939 -10.542
8 HG22 THR -5 HG22 THR -5 15.863 -7.606 -10.373
9 HG23 THR -5 HG23 THR -5 14.879 -6.632 -11.465
10 H GLU -4 H GLU -4 13.562 -4.571 -7.910
11 HA GLU -4 HA GLU -4 15.045 -3.635 -5.661
12 HB2 GLU -4 HB2 GLU -4 12.371 -2.709 -6.756
13 HB3 GLU -4 HB3 GLU -4 13.333 -1.820 -5.573
14 HG2 GLU -4 HG2 GLU -4 15.216 -1.744 -7.191
15 HG3 GLU -4 HG3 GLU -4 14.205 -2.567 -8.380
16 H PHE -3 H PHE -3 11.969 -5.337 -5.916
17 HA PHE -3 HA PHE -3 11.627 -5.146 -2.968
18 HB2 PHE -3 HB2 PHE -3 9.660 -4.586 -4.310
19 HB3 PHE -3 HB3 PHE -3 9.778 -6.115 -5.171
20 HD1 PHE -3 HD2 PHE -3 9.921 -5.163 -1.523
21 HD2 PHE -3 HD1 PHE -3 8.058 -7.543 -4.576
22 HE1 PHE -3 HE2 PHE -3 8.504 -6.249 0.180
23 HE2 PHE -3 HE1 PHE -3 6.628 -8.618 -2.860
24 HZ PHE -3 HZ PHE -3 6.850 -7.961 -0.478
25 H LYS -2 H LYS -2 12.579 -6.780 -1.844
26 HA LYS -2 HA LYS -2 12.957 -9.398 -3.195
27 HB2 LYS -2 HB2 LYS -2 14.170 -8.267 -0.659
28 HB3 LYS -2 HB3 LYS -2 14.533 -9.861 -1.323
29 HG2 LYS -2 HG2 LYS -2 15.277 -8.763 -3.440
30 HG3 LYS -2 HG3 LYS -2 15.025 -7.193 -2.677
31 HD2 LYS -2 HD2 LYS -2 16.631 -7.855 -0.881
32 HD3 LYS -2 HD3 LYS -2 16.946 -9.351 -1.759
33 HE2 LYS -2 HE2 LYS -2 18.646 -7.611 -2.261
34 HE3 LYS -2 HE3 LYS -2 17.736 -8.075 -3.699
35 HZ1 LYS -2 HZ1 LYS -2 18.089 -5.560 -2.976
36 HZ2 LYS -2 HZ2 LYS -2 16.658 -5.880 -2.119
37 HZ3 LYS -2 HZ3 LYS -2 16.706 -6.086 -3.805
38 H ALA -1 H ALA -1 10.686 -8.000 -1.243
39 HA ALA -1 HA ALA -1 9.041 -8.882 0.175
40 HB1 ALA -1 HB1 ALA -1 9.737 -11.669 -0.628
41 HB2 ALA -1 HB2 ALA -1 9.184 -10.574 -1.896
42 HB3 ALA -1 HB3 ALA -1 8.155 -10.899 -0.501
43 H GLY 1 H GLY 1 9.892 -8.513 2.214
44 HA2 GLY 1 HA2 GLY 1 11.968 -10.279 3.307
45 HA3 GLY 1 HA3 GLY 1 11.197 -8.936 4.155
46 H SER 2 H SER 2 9.949 -9.590 5.830
47 HA SER 2 HA SER 2 8.558 -12.235 5.589
48 HB2 SER 2 HB2 SER 2 8.785 -12.463 8.013
49 HB3 SER 2 HB3 SER 2 10.372 -12.212 7.294
50 HG SER 2 HG SER 2 8.876 -10.587 8.957
51 H ALA 3 H ALA 3 6.375 -12.262 6.114
52 HA ALA 3 HA ALA 3 4.968 -9.735 6.094
53 HB1 ALA 3 HB1 ALA 3 2.950 -11.199 6.514
54 HB2 ALA 3 HB2 ALA 3 4.047 -12.577 6.588
55 HB3 ALA 3 HB3 ALA 3 3.896 -11.649 5.097
56 H LYS 4 H LYS 4 5.905 -12.028 8.606
57 HA LYS 4 HA LYS 4 4.275 -11.062 10.718
58 HB2 LYS 4 HB2 LYS 4 7.124 -12.073 10.938
59 HB3 LYS 4 HB3 LYS 4 5.888 -12.106 12.195
60 HG2 LYS 4 HG2 LYS 4 4.506 -13.595 10.788
61 HG3 LYS 4 HG3 LYS 4 5.770 -13.577 9.558
62 HD2 LYS 4 HD2 LYS 4 6.018 -15.593 10.903
63 HD3 LYS 4 HD3 LYS 4 7.365 -14.507 11.244
64 HE2 LYS 4 HE2 LYS 4 6.671 -14.103 13.385
65 HE3 LYS 4 HE3 LYS 4 4.963 -14.153 12.949
66 HZ1 LYS 4 HZ1 LYS 4 5.625 -16.678 12.527
67 HZ2 LYS 4 HZ2 LYS 4 5.074 -16.110 14.030
68 HZ3 LYS 4 HZ3 LYS 4 6.738 -16.311 13.754
69 H LYS 5 H LYS 5 7.595 -10.160 9.813
70 HA LYS 5 HA LYS 5 7.892 -8.098 11.763
71 HB2 LYS 5 HB2 LYS 5 9.176 -8.436 9.037
72 HB3 LYS 5 HB3 LYS 5 9.699 -7.264 10.244
73 HG2 LYS 5 HG2 LYS 5 10.068 -9.132 11.853
74 HG3 LYS 5 HG3 LYS 5 9.648 -10.275 10.578
75 HD2 LYS 5 HD2 LYS 5 11.499 -9.338 9.186
76 HD3 LYS 5 HD3 LYS 5 11.959 -8.313 10.547
77 HE2 LYS 5 HE2 LYS 5 11.939 -11.343 10.479
78 HE3 LYS 5 HE3 LYS 5 13.353 -10.295 10.596
79 HZ1 LYS 5 HZ1 LYS 5 11.181 -10.544 12.607
80 HZ2 LYS 5 HZ2 LYS 5 12.488 -9.464 12.712
81 HZ3 LYS 5 HZ3 LYS 5 12.761 -11.140 12.758
82 H GLY 6 H GLY 6 6.782 -7.977 8.375
83 HA2 GLY 6 HA2 GLY 6 6.374 -5.133 8.333
84 HA3 GLY 6 HA3 GLY 6 5.635 -6.283 7.220
85 H ALA 7 H ALA 7 4.321 -7.867 9.248
86 HA ALA 7 HA ALA 7 1.863 -6.450 9.473
87 HB1 ALA 7 HB1 ALA 7 2.261 -8.984 9.625
88 HB2 ALA 7 HB2 ALA 7 1.074 -8.304 10.739
89 HB3 ALA 7 HB3 ALA 7 2.696 -8.699 11.309
90 H THR 8 H THR 8 4.523 -6.894 11.786
91 HA THR 8 HA THR 8 3.172 -5.592 13.964
92 HB THR 8 HB THR 8 5.533 -6.980 13.695
93 HG1 THR 8 HG1 THR 8 4.100 -6.511 15.547
94 HG21 THR 8 HG21 THR 8 7.340 -5.505 14.349
95 HG22 THR 8 HG22 THR 8 6.256 -4.118 14.379
96 HG23 THR 8 HG23 THR 8 6.642 -4.908 12.848
97 H LEU 9 H LEU 9 5.330 -4.423 11.407
98 HA LEU 9 HA LEU 9 5.389 -1.691 12.376
99 HB2 LEU 9 HB2 LEU 9 6.972 -2.891 10.687
100 HB3 LEU 9 HB3 LEU 9 5.750 -2.457 9.495
101 HG LEU 9 HG LEU 9 5.959 -0.089 10.741
102 HD11 LEU 9 HD11 LEU 9 8.838 -0.894 10.741
103 HD12 LEU 9 HD12 LEU 9 7.854 -1.353 12.132
104 HD13 LEU 9 HD13 LEU 9 8.020 0.346 11.692
105 HD21 LEU 9 HD21 LEU 9 6.260 -0.021 8.454
106 HD22 LEU 9 HD22 LEU 9 7.443 -1.328 8.463
107 HD23 LEU 9 HD23 LEU 9 7.913 0.291 8.978
108 H PHE 10 H PHE 10 3.506 -3.427 9.922
109 HA PHE 10 HA PHE 10 1.986 -1.180 9.000
110 HB2 PHE 10 HB2 PHE 10 2.160 -3.409 7.848
111 HB3 PHE 10 HB3 PHE 10 1.136 -4.094 9.106
112 HD1 PHE 10 HD2 PHE 10 -1.240 -3.511 9.265
113 HD2 PHE 10 HD1 PHE 10 1.262 -1.859 6.188
114 HE1 PHE 10 HE2 PHE 10 -3.255 -2.761 8.028
115 HE2 PHE 10 HE1 PHE 10 -0.753 -1.113 4.952
116 HZ PHE 10 HZ PHE 10 -3.012 -1.563 5.869
117 H LYS 11 H LYS 11 1.102 -3.760 11.324
118 HA LYS 11 HA LYS 11 -1.374 -2.604 12.106
119 HB2 LYS 11 HB2 LYS 11 0.514 -4.443 13.595
120 HB3 LYS 11 HB3 LYS 11 -1.113 -4.047 14.142
121 HG2 LYS 11 HG2 LYS 11 -2.017 -4.914 11.987
122 HG3 LYS 11 HG3 LYS 11 -0.385 -5.394 11.527
123 HD2 LYS 11 HD2 LYS 11 -0.269 -6.814 13.580
124 HD3 LYS 11 HD3 LYS 11 -1.951 -6.406 13.916
125 HE2 LYS 11 HE2 LYS 11 -2.747 -7.583 12.055
126 HE3 LYS 11 HE3 LYS 11 -1.186 -7.534 11.235
127 HZ1 LYS 11 HZ1 LYS 11 -0.313 -9.152 12.653
128 HZ2 LYS 11 HZ2 LYS 11 -1.871 -9.720 12.283
129 HZ3 LYS 11 HZ3 LYS 11 -1.566 -8.984 13.784
130 H THR 12 H THR 12 1.923 -2.052 13.201
131 HA THR 12 HA THR 12 0.992 -0.340 15.410
132 HB THR 12 HB THR 12 3.374 -0.075 15.920
133 HG1 THR 12 HG1 THR 12 4.653 -1.600 14.383
134 HG21 THR 12 HG21 THR 12 2.224 -2.785 15.400
135 HG22 THR 12 HG22 THR 12 2.661 -2.028 16.931
136 HG23 THR 12 HG23 THR 12 3.918 -2.674 15.878
137 H ARG 13 H ARG 13 1.542 0.083 12.082
138 HA ARG 13 HA ARG 13 1.496 3.004 12.490
139 HB2 ARG 13 HB2 ARG 13 3.714 1.598 10.985
140 HB3 ARG 13 HB3 ARG 13 3.409 3.328 10.891
141 HG2 ARG 13 HG2 ARG 13 3.644 3.422 13.405
142 HG3 ARG 13 HG3 ARG 13 4.163 1.737 13.357
143 HD2 ARG 13 HD2 ARG 13 6.153 3.098 13.346
144 HD3 ARG 13 HD3 ARG 13 5.964 2.425 11.726
145 HE ARG 13 HE ARG 13 5.679 4.622 10.930
146 HH11 ARG 13 HH21 ARG 13 5.056 4.389 14.312
147 HH12 ARG 13 HH22 ARG 13 4.842 6.095 14.525
148 HH21 ARG 13 HH11 ARG 13 5.404 6.851 11.188
149 HH22 ARG 13 HH12 ARG 13 5.038 7.488 12.757
150 H CYS 14 H CYS 14 -0.588 1.469 11.416
151 HA CYS 14 HA CYS 14 -0.841 2.761 8.822
152 HB2 CYS 14 HB2 CYS 14 0.519 0.506 8.556
153 HB3 CYS 14 HB3 CYS 14 -1.078 -0.219 8.660
154 H LEU 15 H LEU 15 -2.099 0.964 11.464
155 HA LEU 15 HA LEU 15 -4.720 0.387 10.454
156 HB2 LEU 15 HB2 LEU 15 -3.980 1.041 13.319
157 HB3 LEU 15 HB3 LEU 15 -5.354 0.082 12.767
158 HG LEU 15 HG LEU 15 -2.423 -0.621 12.501
159 HD11 LEU 15 HD11 LEU 15 -3.315 -2.675 13.788
160 HD12 LEU 15 HD12 LEU 15 -4.735 -1.685 14.124
161 HD13 LEU 15 HD13 LEU 15 -3.146 -1.168 14.689
162 HD21 LEU 15 HD21 LEU 15 -3.574 -2.825 11.628
163 HD22 LEU 15 HD22 LEU 15 -3.297 -1.478 10.523
164 HD23 LEU 15 HD23 LEU 15 -4.898 -1.735 11.221
165 H GLN 16 H GLN 16 -3.289 3.278 11.865
166 HA GLN 16 HA GLN 16 -5.506 4.786 12.564
167 HB2 GLN 16 HB2 GLN 16 -4.209 6.767 12.053
168 HB3 GLN 16 HB3 GLN 16 -3.114 5.536 12.684
169 HG2 GLN 16 HG2 GLN 16 -2.661 4.881 10.261
170 HG3 GLN 16 HG3 GLN 16 -3.508 6.360 9.801
171 HE21 GLN 16 HE21 GLN 16 -1.753 7.664 9.108
172 HE22 GLN 16 HE22 GLN 16 -0.438 8.072 10.098
173 H CYS 17 H CYS 17 -4.700 3.652 9.387
174 HA CYS 17 HA CYS 17 -7.028 5.200 8.327
175 HB2 CYS 17 HB2 CYS 17 -4.325 4.791 7.048
176 HB3 CYS 17 HB3 CYS 17 -5.744 5.295 6.131
177 H HIS 18 H HIS 18 -4.894 2.911 6.637
178 HA HIS 18 HA HIS 18 -7.073 1.440 5.534
179 HB2 HIS 18 HB2 HIS 18 -4.220 0.521 6.001
180 HB3 HIS 18 HB3 HIS 18 -5.391 -0.278 4.952
181 HD1 HIS 18 HD1 HIS 18 -6.074 0.961 2.752
182 HD2 HIS 18 HD2 HIS 18 -3.080 2.876 4.932
183 HE1 HIS 18 HE1 HIS 18 -5.051 2.691 1.204
184 H THR 19 H THR 19 -8.317 1.232 7.653
185 HA THR 19 HA THR 19 -7.392 -0.527 9.723
186 HB THR 19 HB THR 19 -10.278 -0.109 8.895
187 HG1 THR 19 HG1 THR 19 -8.836 1.453 10.749
188 HG21 THR 19 HG21 THR 19 -9.152 -1.688 10.862
189 HG22 THR 19 HG22 THR 19 -10.806 -1.076 10.872
190 HG23 THR 19 HG23 THR 19 -9.538 -0.203 11.732
191 H VAL 20 H VAL 20 -6.424 -2.102 8.057
192 HA VAL 20 HA VAL 20 -8.001 -3.748 6.395
193 HB VAL 20 HB VAL 20 -5.476 -4.372 7.935
194 HG11 VAL 20 HG11 VAL 20 -6.342 -6.493 7.359
195 HG12 VAL 20 HG12 VAL 20 -5.238 -6.105 6.040
196 HG13 VAL 20 HG13 VAL 20 -6.978 -5.907 5.820
197 HG21 VAL 20 HG21 VAL 20 -5.644 -2.494 6.118
198 HG22 VAL 20 HG22 VAL 20 -5.705 -3.843 4.984
199 HG23 VAL 20 HG23 VAL 20 -4.308 -3.641 6.042
200 H GLU 21 H GLU 21 -6.989 -4.308 9.775
201 HA GLU 21 HA GLU 21 -7.701 -6.064 11.237
202 HB2 GLU 21 HB2 GLU 21 -9.151 -3.943 11.469
203 HB3 GLU 21 HB3 GLU 21 -10.386 -4.843 10.590
204 HG2 GLU 21 HG2 GLU 21 -10.237 -6.652 12.309
205 HG3 GLU 21 HG3 GLU 21 -9.087 -5.663 13.206
206 H LYS 22 H LYS 22 -7.578 -7.034 8.493
207 HA LYS 22 HA LYS 22 -8.343 -8.856 7.228
208 HB2 LYS 22 HB2 LYS 22 -9.801 -9.644 9.755
209 HB3 LYS 22 HB3 LYS 22 -9.302 -10.699 8.435
210 HG2 LYS 22 HG2 LYS 22 -7.447 -9.148 10.263
211 HG3 LYS 22 HG3 LYS 22 -7.732 -10.884 10.302
212 HD2 LYS 22 HD2 LYS 22 -6.966 -10.912 7.852
213 HD3 LYS 22 HD3 LYS 22 -6.364 -9.279 8.145
214 HE2 LYS 22 HE2 LYS 22 -4.490 -10.235 8.932
215 HE3 LYS 22 HE3 LYS 22 -5.443 -10.714 10.336
216 HZ1 LYS 22 HZ1 LYS 22 -4.461 -12.312 8.152
217 HZ2 LYS 22 HZ2 LYS 22 -6.099 -12.587 8.512
218 HZ3 LYS 22 HZ3 LYS 22 -4.916 -12.779 9.717
219 H GLY 23 H GLY 23 -9.749 -6.529 6.843
220 HA2 GLY 23 HA2 GLY 23 -11.746 -6.343 5.416
221 HA3 GLY 23 HA3 GLY 23 -12.519 -7.567 6.423
222 H GLY 24 H GLY 24 -11.110 -4.290 6.685
223 HA2 GLY 24 HA2 GLY 24 -13.233 -3.673 8.708
224 HA3 GLY 24 HA3 GLY 24 -11.618 -2.966 8.765
225 HA PRO 25 HA PRO 25 -14.811 -0.373 6.281
226 HB2 PRO 25 HB2 PRO 25 -14.524 1.838 7.970
227 HB3 PRO 25 HB3 PRO 25 -15.871 0.686 7.998
228 HG2 PRO 25 HG2 PRO 25 -13.480 0.848 9.744
229 HG3 PRO 25 HG3 PRO 25 -15.134 0.338 10.128
230 HD2 PRO 25 HD2 PRO 25 -13.106 -1.445 9.819
231 HD3 PRO 25 HD3 PRO 25 -14.785 -1.832 9.377
232 H HIS 26 H HIS 26 -14.044 1.016 4.699
233 HA HIS 26 HA HIS 26 -11.254 1.377 4.311
234 HB2 HIS 26 HB2 HIS 26 -13.485 3.105 3.200
235 HB3 HIS 26 HB3 HIS 26 -11.862 2.927 2.536
236 HD1 HIS 26 HD1 HIS 26 -11.287 0.666 1.364
237 HD2 HIS 26 HD2 HIS 26 -15.252 0.967 2.612
238 HE1 HIS 26 HE1 HIS 26 -12.536 -1.231 0.241
239 HE2 HIS 26 HE2 HIS 26 -14.952 -1.056 0.995
240 H LYS 27 H LYS 27 -13.705 3.624 5.584
241 HA LYS 27 HA LYS 27 -13.469 5.585 6.832
242 HB2 LYS 27 HB2 LYS 27 -12.109 3.948 8.243
243 HB3 LYS 27 HB3 LYS 27 -10.677 4.605 7.454
244 HG2 LYS 27 HG2 LYS 27 -11.162 6.830 8.282
245 HG3 LYS 27 HG3 LYS 27 -12.713 6.293 8.930
246 HD2 LYS 27 HD2 LYS 27 -10.958 6.432 10.690
247 HD3 LYS 27 HD3 LYS 27 -11.577 4.791 10.491
248 HE2 LYS 27 HE2 LYS 27 -9.647 4.048 9.414
249 HE3 LYS 27 HE3 LYS 27 -9.187 5.671 8.904
250 HZ1 LYS 27 HZ1 LYS 27 -8.140 4.384 11.016
251 HZ2 LYS 27 HZ2 LYS 27 -9.350 5.313 11.765
252 HZ3 LYS 27 HZ3 LYS 27 -8.149 6.069 10.831
253 H VAL 28 H VAL 28 -10.229 6.256 6.869
254 HA VAL 28 HA VAL 28 -10.527 8.347 4.874
255 HB VAL 28 HB VAL 28 -8.061 7.384 6.354
256 HG11 VAL 28 HG11 VAL 28 -7.461 8.619 4.328
257 HG12 VAL 28 HG12 VAL 28 -7.169 9.633 5.740
258 HG13 VAL 28 HG13 VAL 28 -8.599 9.901 4.745
259 HG21 VAL 28 HG21 VAL 28 -8.902 8.488 8.124
260 HG22 VAL 28 HG22 VAL 28 -10.371 8.831 7.209
261 HG23 VAL 28 HG23 VAL 28 -9.016 9.958 7.158
262 H GLY 29 H GLY 29 -8.660 5.303 5.007
263 HA2 GLY 29 HA2 GLY 29 -8.097 5.661 2.088
264 HA3 GLY 29 HA3 GLY 29 -7.050 4.770 3.187
265 HA PRO 30 HA PRO 30 -10.377 2.102 0.927
266 HB2 PRO 30 HB2 PRO 30 -8.468 0.680 -0.539
267 HB3 PRO 30 HB3 PRO 30 -9.489 1.988 -1.163
268 HG2 PRO 30 HG2 PRO 30 -6.664 2.052 -0.279
269 HG3 PRO 30 HG3 PRO 30 -7.475 2.975 -1.555
270 HD2 PRO 30 HD2 PRO 30 -6.826 4.082 0.844
271 HD3 PRO 30 HD3 PRO 30 -8.256 4.589 -0.082
272 H ASN 31 H ASN 31 -10.575 -0.247 1.216
273 HA ASN 31 HA ASN 31 -9.713 -1.211 3.716
274 HB2 ASN 31 HB2 ASN 31 -11.569 -2.153 2.255
275 HB3 ASN 31 HB3 ASN 31 -10.312 -2.971 1.326
276 HD21 ASN 31 HD21 ASN 31 -9.194 -2.762 4.480
277 HD22 ASN 31 HD22 ASN 31 -9.709 -4.277 5.046
278 H LEU 32 H LEU 32 -8.099 -1.273 0.613
279 HA LEU 32 HA LEU 32 -5.910 -1.870 0.048
280 HB2 LEU 32 HB2 LEU 32 -5.510 -0.668 2.314
281 HB3 LEU 32 HB3 LEU 32 -5.365 -2.284 2.993
282 HG LEU 32 HG LEU 32 -3.538 -2.799 1.417
283 HD11 LEU 32 HD11 LEU 32 -3.697 -1.562 -0.512
284 HD12 LEU 32 HD12 LEU 32 -2.661 -0.448 0.378
285 HD13 LEU 32 HD13 LEU 32 -4.400 -0.173 0.316
286 HD21 LEU 32 HD21 LEU 32 -2.640 -1.995 3.408
287 HD22 LEU 32 HD22 LEU 32 -3.413 -0.419 3.238
288 HD23 LEU 32 HD23 LEU 32 -1.998 -0.813 2.264
289 H HIS 33 H HIS 33 -8.156 -3.831 0.702
290 HA HIS 33 HA HIS 33 -6.476 -6.255 1.171
291 HB2 HIS 33 HB2 HIS 33 -8.962 -5.459 2.245
292 HB3 HIS 33 HB3 HIS 33 -9.313 -6.783 1.133
293 HD1 HIS 33 HD1 HIS 33 -6.728 -6.029 3.847
294 HD2 HIS 33 HD2 HIS 33 -8.888 -9.240 2.296
295 HE1 HIS 33 HE1 HIS 33 -6.105 -8.049 5.242
296 HE2 HIS 33 HE2 HIS 33 -7.427 -10.009 4.318
297 H GLY 34 H GLY 34 -7.805 -4.483 -1.318
298 HA2 GLY 34 HA2 GLY 34 -7.671 -6.849 -3.098
299 HA3 GLY 34 HA3 GLY 34 -9.166 -5.918 -3.109
300 H ILE 35 H ILE 35 -6.424 -3.945 -2.539
301 HA ILE 35 HA ILE 35 -6.821 -2.481 -4.960
302 HB ILE 35 HB ILE 35 -5.683 -1.607 -2.866
303 HG12 ILE 35 HG12 ILE 35 -4.202 -1.268 -5.491
304 HG13 ILE 35 HG13 ILE 35 -5.666 -0.403 -5.026
305 HG21 ILE 35 HG21 ILE 35 -3.310 -3.105 -4.028
306 HG22 ILE 35 HG22 ILE 35 -4.110 -3.459 -2.497
307 HG23 ILE 35 HG23 ILE 35 -3.236 -1.941 -2.708
308 HD11 ILE 35 HD11 ILE 35 -4.490 0.560 -3.087
309 HD12 ILE 35 HD12 ILE 35 -3.669 0.968 -4.595
310 HD13 ILE 35 HD13 ILE 35 -3.022 -0.302 -3.552
311 H PHE 36 H PHE 36 -5.030 -5.359 -4.288
312 HA PHE 36 HA PHE 36 -3.356 -5.127 -6.696
313 HB2 PHE 36 HB2 PHE 36 -3.746 -7.325 -4.651
314 HB3 PHE 36 HB3 PHE 36 -2.669 -7.475 -6.040
315 HD1 PHE 36 HD1 PHE 36 -3.333 -5.547 -2.939
316 HD2 PHE 36 HD2 PHE 36 -0.563 -6.357 -6.111
317 HE1 PHE 36 HE1 PHE 36 -1.576 -4.290 -1.722
318 HE2 PHE 36 HE2 PHE 36 1.200 -5.102 -4.898
319 HZ PHE 36 HZ PHE 36 0.692 -4.066 -2.704
320 H GLY 37 H GLY 37 -3.753 -6.126 -8.637
321 HA2 GLY 37 HA2 GLY 37 -4.781 -7.762 -10.081
322 HA3 GLY 37 HA3 GLY 37 -5.992 -8.063 -8.833
323 H ARG 38 H ARG 38 -6.397 -7.382 -11.687
324 HA ARG 38 HA ARG 38 -7.770 -6.004 -12.980
325 HB2 ARG 38 HB2 ARG 38 -9.428 -6.684 -11.296
326 HB3 ARG 38 HB3 ARG 38 -8.906 -5.381 -10.235
327 HG2 ARG 38 HG2 ARG 38 -10.918 -4.659 -11.358
328 HG3 ARG 38 HG3 ARG 38 -9.576 -3.747 -12.038
329 HD2 ARG 38 HD2 ARG 38 -9.533 -5.119 -14.011
330 HD3 ARG 38 HD3 ARG 38 -10.633 -6.293 -13.290
331 HE ARG 38 HE ARG 38 -11.380 -3.697 -14.458
332 HH11 ARG 38 HH21 ARG 38 -12.182 -6.390 -12.456
333 HH12 ARG 38 HH22 ARG 38 -13.891 -6.153 -12.596
334 HH21 ARG 38 HH11 ARG 38 -13.608 -3.373 -14.649
335 HH22 ARG 38 HH12 ARG 38 -14.699 -4.446 -13.836
336 H HIS 39 H HIS 39 -8.097 -3.745 -13.601
337 HA HIS 39 HA HIS 39 -5.918 -2.044 -13.328
338 HB2 HIS 39 HB2 HIS 39 -8.784 -1.065 -13.486
339 HB3 HIS 39 HB3 HIS 39 -7.341 -0.243 -14.081
340 HD1 HIS 39 HD1 HIS 39 -9.249 -0.595 -16.257
341 HD2 HIS 39 HD2 HIS 39 -6.740 -3.739 -15.150
342 HE1 HIS 39 HE1 HIS 39 -9.146 -2.164 -18.244
343 HE2 HIS 39 HE2 HIS 39 -7.621 -4.080 -17.582
344 H SER 40 H SER 40 -5.887 0.112 -12.131
345 HA SER 40 HA SER 40 -6.029 -0.418 -9.324
346 HB2 SER 40 HB2 SER 40 -5.250 1.844 -9.051
347 HB3 SER 40 HB3 SER 40 -4.430 1.166 -10.452
348 HG SER 40 HG SER 40 -5.293 2.721 -11.551
349 H GLY 41 H GLY 41 -7.239 0.973 -7.762
350 HA2 GLY 41 HA2 GLY 41 -9.222 1.927 -6.952
351 HA3 GLY 41 HA3 GLY 41 -9.603 2.386 -8.608
352 H GLN 42 H GLN 42 -10.002 -0.095 -6.165
353 HA GLN 42 HA GLN 42 -12.146 -1.298 -7.865
354 HB2 GLN 42 HB2 GLN 42 -10.114 -2.836 -6.219
355 HB3 GLN 42 HB3 GLN 42 -11.478 -3.546 -7.084
356 HG2 GLN 42 HG2 GLN 42 -10.156 -3.690 -8.900
357 HG3 GLN 42 HG3 GLN 42 -10.171 -1.927 -8.973
358 HE21 GLN 42 HE21 GLN 42 -8.147 -0.978 -8.839
359 HE22 GLN 42 HE22 GLN 42 -6.776 -1.690 -8.135
360 H ALA 43 H ALA 43 -11.226 0.015 -4.886
361 HA ALA 43 HA ALA 43 -12.797 -1.459 -3.035
362 HB1 ALA 43 HB1 ALA 43 -12.478 0.327 -1.562
363 HB2 ALA 43 HB2 ALA 43 -12.561 1.533 -2.846
364 HB3 ALA 43 HB3 ALA 43 -11.122 0.528 -2.670
365 H GLU 44 H GLU 44 -14.979 -1.388 -2.504
366 HA GLU 44 HA GLU 44 -16.742 -0.045 -4.456
367 HB2 GLU 44 HB2 GLU 44 -17.359 -1.963 -2.189
368 HB3 GLU 44 HB3 GLU 44 -18.539 -1.357 -3.351
369 HG2 GLU 44 HG2 GLU 44 -17.192 -2.339 -5.197
370 HG3 GLU 44 HG3 GLU 44 -16.075 -3.001 -4.002
371 H GLY 45 H GLY 45 -16.716 -0.356 -0.878
372 HA2 GLY 45 HA2 GLY 45 -18.483 1.828 -0.411
373 HA3 GLY 45 HA3 GLY 45 -17.332 1.200 0.772
374 H TYR 46 H TYR 46 -14.992 1.678 -0.845
375 HA TYR 46 HA TYR 46 -14.791 4.619 -0.465
376 HB2 TYR 46 HB2 TYR 46 -13.116 3.334 0.712
377 HB3 TYR 46 HB3 TYR 46 -12.695 2.450 -0.752
378 HD1 TYR 46 HD2 TYR 46 -12.485 5.717 0.978
379 HD2 TYR 46 HD1 TYR 46 -11.360 3.449 -2.495
380 HE1 TYR 46 HE2 TYR 46 -10.836 7.466 0.366
381 HE2 TYR 46 HE1 TYR 46 -9.712 5.193 -3.105
382 HH TYR 46 HH TYR 46 -9.647 8.272 -1.575
383 H SER 47 H SER 47 -14.281 5.976 -2.173
384 HA SER 47 HA SER 47 -14.157 4.691 -4.872
385 HB2 SER 47 HB2 SER 47 -15.157 6.737 -5.748
386 HB3 SER 47 HB3 SER 47 -16.158 6.118 -4.438
387 HG SER 47 HG SER 47 -14.141 7.806 -3.639
388 H TYR 48 H TYR 48 -12.690 5.614 -6.407
389 HA TYR 48 HA TYR 48 -10.401 7.037 -5.124
390 HB2 TYR 48 HB2 TYR 48 -10.546 5.358 -7.646
391 HB3 TYR 48 HB3 TYR 48 -9.098 6.195 -7.085
392 HD1 TYR 48 HD2 TYR 48 -11.627 3.635 -6.123
393 HD2 TYR 48 HD1 TYR 48 -7.725 5.267 -5.388
394 HE1 TYR 48 HE2 TYR 48 -11.123 1.747 -4.602
395 HE2 TYR 48 HE1 TYR 48 -7.220 3.377 -3.863
396 HH TYR 48 HH TYR 48 -8.722 0.602 -3.824
397 H THR 49 H THR 49 -9.396 8.773 -6.320
398 HA THR 49 HA THR 49 -11.209 10.653 -7.434
399 HB THR 49 HB THR 49 -9.417 12.013 -7.267
400 HG1 THR 49 HG1 THR 49 -8.723 11.846 -9.277
401 HG21 THR 49 HG21 THR 49 -7.429 11.205 -6.215
402 HG22 THR 49 HG22 THR 49 -7.677 9.573 -6.843
403 HG23 THR 49 HG23 THR 49 -8.748 10.219 -5.592
404 H ASP 50 H ASP 50 -10.215 7.791 -8.745
405 HA ASP 50 HA ASP 50 -10.682 6.908 -10.885
406 HB2 ASP 50 HB2 ASP 50 -12.301 9.048 -10.899
407 HB3 ASP 50 HB3 ASP 50 -11.121 9.604 -12.088
408 H ALA 51 H ALA 51 -8.474 9.429 -10.163
409 HA ALA 51 HA ALA 51 -7.086 9.634 -12.651
410 HB1 ALA 51 HB1 ALA 51 -5.122 10.305 -11.213
411 HB2 ALA 51 HB2 ALA 51 -6.101 9.912 -9.802
412 HB3 ALA 51 HB3 ALA 51 -6.597 11.214 -10.880
413 H ASN 52 H ASN 52 -6.586 7.467 -9.856
414 HA ASN 52 HA ASN 52 -4.390 6.041 -11.055
415 HB2 ASN 52 HB2 ASN 52 -4.682 4.416 -9.312
416 HB3 ASN 52 HB3 ASN 52 -5.027 5.993 -8.605
417 HD21 ASN 52 HD21 ASN 52 -6.108 3.068 -8.135
418 HD22 ASN 52 HD22 ASN 52 -7.782 3.301 -8.062
419 H ILE 53 H ILE 53 -7.901 5.578 -11.134
420 HA ILE 53 HA ILE 53 -7.915 3.031 -12.427
421 HB ILE 53 HB ILE 53 -9.942 5.279 -12.592
422 HG12 ILE 53 HG12 ILE 53 -9.887 2.809 -10.833
423 HG13 ILE 53 HG13 ILE 53 -9.418 4.419 -10.290
424 HG21 ILE 53 HG21 ILE 53 -11.196 2.785 -12.834
425 HG22 ILE 53 HG22 ILE 53 -9.774 2.674 -13.871
426 HG23 ILE 53 HG23 ILE 53 -10.949 3.964 -14.122
427 HD11 ILE 53 HD11 ILE 53 -12.052 3.306 -10.476
428 HD12 ILE 53 HD12 ILE 53 -11.936 4.666 -11.592
429 HD13 ILE 53 HD13 ILE 53 -11.576 4.897 -9.882
430 H LYS 54 H LYS 54 -8.150 6.318 -13.843
431 HA LYS 54 HA LYS 54 -8.363 5.497 -16.537
432 HB2 LYS 54 HB2 LYS 54 -7.109 7.981 -15.346
433 HB3 LYS 54 HB3 LYS 54 -7.440 7.769 -17.062
434 HG2 LYS 54 HG2 LYS 54 -9.842 7.387 -16.522
435 HG3 LYS 54 HG3 LYS 54 -9.485 7.718 -14.828
436 HD2 LYS 54 HD2 LYS 54 -8.618 9.965 -15.492
437 HD3 LYS 54 HD3 LYS 54 -9.120 9.631 -17.150
438 HE2 LYS 54 HE2 LYS 54 -11.445 9.103 -16.021
439 HE3 LYS 54 HE3 LYS 54 -10.813 10.114 -14.721
440 HZ1 LYS 54 HZ1 LYS 54 -10.744 11.951 -16.054
441 HZ2 LYS 54 HZ2 LYS 54 -12.103 11.166 -16.705
442 HZ3 LYS 54 HZ3 LYS 54 -10.599 11.060 -17.490
443 H LYS 55 H LYS 55 -5.453 6.088 -14.579
444 HA LYS 55 HA LYS 55 -3.589 5.776 -16.715
445 HB2 LYS 55 HB2 LYS 55 -3.142 6.641 -14.337
446 HB3 LYS 55 HB3 LYS 55 -3.057 4.946 -13.857
447 HG2 LYS 55 HG2 LYS 55 -0.819 5.429 -14.329
448 HG3 LYS 55 HG3 LYS 55 -1.369 4.736 -15.854
449 HD2 LYS 55 HD2 LYS 55 -1.697 6.965 -16.795
450 HD3 LYS 55 HD3 LYS 55 -1.299 7.708 -15.247
451 HE2 LYS 55 HE2 LYS 55 0.912 6.201 -15.584
452 HE3 LYS 55 HE3 LYS 55 0.492 6.474 -17.275
453 HZ1 LYS 55 HZ1 LYS 55 0.549 8.703 -15.341
454 HZ2 LYS 55 HZ2 LYS 55 0.666 8.759 -17.035
455 HZ3 LYS 55 HZ3 LYS 55 1.968 8.180 -16.109
456 H ASN 56 H ASN 56 -5.248 3.426 -14.670
457 HA ASN 56 HA ASN 56 -5.401 1.090 -14.852
458 HB2 ASN 56 HB2 ASN 56 -5.875 1.882 -17.281
459 HB3 ASN 56 HB3 ASN 56 -4.232 1.337 -17.620
460 HD21 ASN 56 HD21 ASN 56 -5.066 -0.668 -15.188
461 HD22 ASN 56 HD22 ASN 56 -5.776 -1.940 -16.059
462 H VAL 57 H VAL 57 -3.148 1.949 -13.543
463 HA VAL 57 HA VAL 57 -0.736 0.783 -14.704
464 HB VAL 57 HB VAL 57 0.361 1.504 -12.722
465 HG11 VAL 57 HG11 VAL 57 -1.327 3.210 -14.168
466 HG12 VAL 57 HG12 VAL 57 0.041 3.682 -13.161
467 HG13 VAL 57 HG13 VAL 57 -1.585 3.637 -12.478
468 HG21 VAL 57 HG21 VAL 57 -1.174 2.322 -10.771
469 HG22 VAL 57 HG22 VAL 57 -0.895 0.590 -10.957
470 HG23 VAL 57 HG23 VAL 57 -2.401 1.306 -11.533
471 H LEU 58 H LEU 58 -3.401 -0.439 -12.907
472 HA LEU 58 HA LEU 58 -3.740 -2.538 -11.891
473 HB2 LEU 58 HB2 LEU 58 -2.659 -3.150 -14.206
474 HB3 LEU 58 HB3 LEU 58 -1.222 -3.492 -13.246
475 HG LEU 58 HG LEU 58 -3.941 -4.806 -13.049
476 HD11 LEU 58 HD11 LEU 58 -1.115 -5.760 -13.564
477 HD12 LEU 58 HD12 LEU 58 -2.464 -5.769 -14.701
478 HD13 LEU 58 HD13 LEU 58 -2.481 -6.845 -13.304
479 HD21 LEU 58 HD21 LEU 58 -1.603 -4.909 -11.115
480 HD22 LEU 58 HD22 LEU 58 -2.894 -6.106 -11.142
481 HD23 LEU 58 HD23 LEU 58 -3.262 -4.429 -10.753
482 H TRP 59 H TRP 59 -3.193 -1.776 -9.781
483 HA TRP 59 HA TRP 59 -0.605 -1.282 -8.802
484 HB2 TRP 59 HB2 TRP 59 -3.124 -2.241 -7.453
485 HB3 TRP 59 HB3 TRP 59 -1.643 -1.971 -6.540
486 HD1 TRP 59 HD1 TRP 59 -4.616 -0.219 -7.641
487 HE1 TRP 59 HE1 TRP 59 -4.316 2.346 -7.522
488 HE3 TRP 59 HE3 TRP 59 0.431 0.011 -7.054
489 HZ2 TRP 59 HZ2 TRP 59 -2.184 4.232 -7.201
490 HZ3 TRP 59 HZ3 TRP 59 1.580 2.189 -6.840
491 HH2 TRP 59 HH2 TRP 59 0.282 4.305 -6.912
492 H ASP 60 H ASP 60 1.105 -2.575 -8.514
493 HA ASP 60 HA ASP 60 0.690 -5.394 -7.723
494 HB2 ASP 60 HB2 ASP 60 2.298 -6.200 -9.437
495 HB3 ASP 60 HB3 ASP 60 0.832 -5.541 -10.156
496 H GLU 61 H GLU 61 3.068 -6.360 -7.406
497 HA GLU 61 HA GLU 61 4.252 -4.843 -5.315
498 HB2 GLU 61 HB2 GLU 61 5.444 -7.069 -6.990
499 HB3 GLU 61 HB3 GLU 61 6.141 -6.459 -5.489
500 HG2 GLU 61 HG2 GLU 61 4.038 -7.043 -4.300
501 HG3 GLU 61 HG3 GLU 61 3.400 -7.719 -5.800
502 H ASN 62 H ASN 62 5.113 -5.080 -8.752
503 HA ASN 62 HA ASN 62 7.548 -3.573 -8.550
504 HB2 ASN 62 HB2 ASN 62 5.640 -3.926 -10.880
505 HB3 ASN 62 HB3 ASN 62 7.255 -3.228 -11.003
506 HD21 ASN 62 HD21 ASN 62 8.696 -4.950 -9.269
507 HD22 ASN 62 HD22 ASN 62 8.687 -6.520 -9.914
508 H ASN 63 H ASN 63 4.212 -2.607 -9.287
509 HA ASN 63 HA ASN 63 4.754 0.160 -9.743
510 HB2 ASN 63 HB2 ASN 63 2.241 -1.176 -8.690
511 HB3 ASN 63 HB3 ASN 63 2.332 0.486 -9.275
512 HD21 ASN 63 HD21 ASN 63 0.687 -1.599 -10.509
513 HD22 ASN 63 HD22 ASN 63 1.290 -1.852 -12.071
514 H MET 64 H MET 64 3.982 -1.647 -6.784
515 HA MET 64 HA MET 64 3.693 0.598 -5.059
516 HB2 MET 64 HB2 MET 64 4.649 -2.224 -4.516
517 HB3 MET 64 HB3 MET 64 4.332 -1.041 -3.244
518 HG2 MET 64 HG2 MET 64 2.305 -1.921 -5.319
519 HG3 MET 64 HG3 MET 64 2.381 -2.541 -3.670
520 HE1 MET 64 HE1 MET 64 0.068 -1.494 -5.089
521 HE2 MET 64 HE2 MET 64 -0.689 -0.081 -4.358
522 HE3 MET 64 HE3 MET 64 -0.399 -1.521 -3.384
523 H SER 65 H SER 65 6.587 -1.189 -6.097
524 HA SER 65 HA SER 65 8.428 0.069 -4.321
525 HB2 SER 65 HB2 SER 65 8.956 -0.844 -7.163
526 HB3 SER 65 HB3 SER 65 10.159 -0.616 -5.897
527 HG SER 65 HG SER 65 7.974 -2.291 -5.396
528 H GLU 66 H GLU 66 7.274 0.995 -7.550
529 HA GLU 66 HA GLU 66 8.898 3.373 -7.723
530 HB2 GLU 66 HB2 GLU 66 6.339 2.578 -9.142
531 HB3 GLU 66 HB3 GLU 66 7.320 3.977 -9.567
532 HG2 GLU 66 HG2 GLU 66 9.262 2.477 -9.953
533 HG3 GLU 66 HG3 GLU 66 8.235 1.088 -9.596
534 H TYR 67 H TYR 67 5.690 2.650 -6.460
535 HA TYR 67 HA TYR 67 4.734 5.314 -6.176
536 HB2 TYR 67 HB2 TYR 67 3.278 3.374 -5.889
537 HB3 TYR 67 HB3 TYR 67 4.194 2.867 -4.470
538 HD1 TYR 67 HD1 TYR 67 1.937 5.479 -5.827
539 HD2 TYR 67 HD2 TYR 67 3.893 3.919 -2.344
540 HE1 TYR 67 HE1 TYR 67 0.540 6.942 -4.387
541 HE2 TYR 67 HE2 TYR 67 2.501 5.379 -0.903
542 HH TYR 67 HH TYR 67 1.238 7.534 -1.148
543 H LEU 68 H LEU 68 6.527 3.277 -3.836
544 HA LEU 68 HA LEU 68 6.634 5.355 -1.841
545 HB2 LEU 68 HB2 LEU 68 8.249 2.828 -2.238
546 HB3 LEU 68 HB3 LEU 68 8.390 3.867 -0.823
547 HG LEU 68 HG LEU 68 5.795 2.611 -1.764
548 HD11 LEU 68 HD11 LEU 68 7.993 1.457 -0.331
549 HD12 LEU 68 HD12 LEU 68 6.435 0.727 -0.719
550 HD13 LEU 68 HD13 LEU 68 6.632 1.639 0.777
551 HD21 LEU 68 HD21 LEU 68 5.392 3.228 0.816
552 HD22 LEU 68 HD22 LEU 68 5.087 4.390 -0.473
553 HD23 LEU 68 HD23 LEU 68 6.592 4.462 0.440
554 H THR 69 H THR 69 8.927 4.252 -4.327
555 HA THR 69 HA THR 69 10.976 6.151 -3.518
556 HB THR 69 HB THR 69 12.141 5.451 -5.540
557 HG1 THR 69 HG1 THR 69 10.439 3.680 -6.524
558 HG21 THR 69 HG21 THR 69 11.045 3.624 -3.588
559 HG22 THR 69 HG22 THR 69 12.634 3.608 -4.352
560 HG23 THR 69 HG23 THR 69 11.273 2.801 -5.131
561 H ASN 70 H ASN 70 8.477 6.085 -6.042
562 HA ASN 70 HA ASN 70 8.677 9.032 -6.233
563 HB2 ASN 70 HB2 ASN 70 10.193 7.937 -7.991
564 HB3 ASN 70 HB3 ASN 70 8.711 7.346 -8.744
565 HD21 ASN 70 HD21 ASN 70 9.428 8.819 -10.601
566 HD22 ASN 70 HD22 ASN 70 9.015 10.463 -10.517
567 H HIS 71 H HIS 71 6.582 9.579 -5.782
568 HA HIS 71 HA HIS 71 4.435 8.107 -7.257
569 HB2 HIS 71 HB2 HIS 71 3.047 8.770 -5.112
570 HB3 HIS 71 HB3 HIS 71 4.049 7.319 -5.102
571 HD1 HIS 71 HD1 HIS 71 3.354 10.055 -3.010
572 HD2 HIS 71 HD2 HIS 71 6.921 8.256 -4.214
573 HE1 HIS 71 HE1 HIS 71 5.107 10.726 -1.307
574 HE2 HIS 71 HE2 HIS 71 7.280 9.637 -2.032
575 H ALA 72 H ALA 72 2.355 9.444 -7.244
576 HA ALA 72 HA ALA 72 1.206 11.478 -7.562
577 HB1 ALA 72 HB1 ALA 72 2.003 13.405 -6.597
578 HB2 ALA 72 HB2 ALA 72 3.647 13.139 -7.179
579 HB3 ALA 72 HB3 ALA 72 3.055 12.253 -5.773
580 H LYS 73 H LYS 73 4.361 10.889 -8.954
581 HA LYS 73 HA LYS 73 4.261 12.767 -11.089
582 HB2 LYS 73 HB2 LYS 73 6.276 11.443 -10.439
583 HB3 LYS 73 HB3 LYS 73 5.513 10.009 -11.129
584 HG2 LYS 73 HG2 LYS 73 5.367 11.165 -13.322
585 HG3 LYS 73 HG3 LYS 73 6.197 12.557 -12.625
586 HD2 LYS 73 HD2 LYS 73 8.116 11.051 -12.044
587 HD3 LYS 73 HD3 LYS 73 7.300 9.748 -12.908
588 HE2 LYS 73 HE2 LYS 73 8.453 12.303 -14.014
589 HE3 LYS 73 HE3 LYS 73 8.749 10.643 -14.534
590 HZ1 LYS 73 HZ1 LYS 73 6.128 12.013 -14.771
591 HZ2 LYS 73 HZ2 LYS 73 6.556 10.502 -15.417
592 HZ3 LYS 73 HZ3 LYS 73 7.264 11.921 -16.026
593 H TYR 74 H TYR 74 2.885 9.509 -10.800
594 HA TYR 74 HA TYR 74 1.425 10.020 -13.361
595 HB2 TYR 74 HB2 TYR 74 1.750 7.731 -14.022
596 HB3 TYR 74 HB3 TYR 74 3.333 8.383 -13.589
597 HD1 TYR 74 HD1 TYR 74 4.013 8.129 -11.073
598 HD2 TYR 74 HD2 TYR 74 1.044 5.732 -13.029
599 HE1 TYR 74 HE1 TYR 74 4.289 6.377 -9.334
600 HE2 TYR 74 HE2 TYR 74 1.311 3.979 -11.290
601 HH TYR 74 HH TYR 74 3.222 3.275 -9.671
602 H ILE 75 H ILE 75 0.901 9.850 -10.201
603 HA ILE 75 HA ILE 75 -1.625 8.267 -10.520
604 HB ILE 75 HB ILE 75 -1.170 8.199 -7.828
605 HG12 ILE 75 HG12 ILE 75 1.563 7.807 -9.027
606 HG13 ILE 75 HG13 ILE 75 1.058 9.380 -8.409
607 HG21 ILE 75 HG21 ILE 75 -1.616 6.123 -8.775
608 HG22 ILE 75 HG22 ILE 75 0.114 5.953 -8.492
609 HG23 ILE 75 HG23 ILE 75 -0.477 6.368 -10.099
610 HD11 ILE 75 HD11 ILE 75 2.211 7.499 -6.848
611 HD12 ILE 75 HD12 ILE 75 0.516 7.051 -6.657
612 HD13 ILE 75 HD13 ILE 75 1.052 8.676 -6.230
613 HA PRO 76 HA PRO 76 -4.458 11.415 -9.336
614 HB2 PRO 76 HB2 PRO 76 -4.503 10.480 -6.531
615 HB3 PRO 76 HB3 PRO 76 -5.830 10.625 -7.691
616 HG2 PRO 76 HG2 PRO 76 -4.344 8.288 -6.984
617 HG3 PRO 76 HG3 PRO 76 -5.686 8.430 -8.128
618 HD2 PRO 76 HD2 PRO 76 -3.095 7.811 -8.858
619 HD3 PRO 76 HD3 PRO 76 -4.282 8.540 -9.953
620 H GLY 77 H GLY 77 -1.800 10.871 -7.042
621 HA2 GLY 77 HA2 GLY 77 -0.292 12.637 -6.382
622 HA3 GLY 77 HA3 GLY 77 -1.508 13.820 -6.855
623 H THR 78 H THR 78 -3.104 11.426 -5.258
624 HA THR 78 HA THR 78 -3.949 12.926 -3.068
625 HB THR 78 HB THR 78 -4.979 10.785 -3.646
626 HG1 THR 78 HG1 THR 78 -4.573 11.620 -1.296
627 HG21 THR 78 HG21 THR 78 -2.346 9.896 -3.817
628 HG22 THR 78 HG22 THR 78 -3.789 8.891 -3.947
629 HG23 THR 78 HG23 THR 78 -2.977 9.070 -2.391
630 H LYS 79 H LYS 79 -3.083 13.445 -1.074
631 HA LYS 79 HA LYS 79 -0.230 12.815 -0.661
632 HB2 LYS 79 HB2 LYS 79 -2.166 14.543 0.915
633 HB3 LYS 79 HB3 LYS 79 -0.445 14.384 1.269
634 HG2 LYS 79 HG2 LYS 79 0.063 15.194 -1.038
635 HG3 LYS 79 HG3 LYS 79 -1.662 15.458 -1.292
636 HD2 LYS 79 HD2 LYS 79 -1.676 16.987 0.685
637 HD3 LYS 79 HD3 LYS 79 0.073 16.792 0.807
638 HE2 LYS 79 HE2 LYS 79 -0.124 18.750 -0.466
639 HE3 LYS 79 HE3 LYS 79 0.077 17.512 -1.705
640 HZ1 LYS 79 HZ1 LYS 79 -2.440 18.794 -0.814
641 HZ2 LYS 79 HZ2 LYS 79 -2.411 17.387 -1.765
642 HZ3 LYS 79 HZ3 LYS 79 -1.743 18.832 -2.360
643 H MET 80 H MET 80 0.495 11.325 0.813
644 HA MET 80 HA MET 80 -1.576 9.981 2.497
645 HB2 MET 80 HB2 MET 80 -0.365 8.633 0.693
646 HB3 MET 80 HB3 MET 80 1.096 8.830 1.658
647 HG2 MET 80 HG2 MET 80 0.378 7.383 3.284
648 HG3 MET 80 HG3 MET 80 -1.311 7.854 3.112
649 HE1 MET 80 HE1 MET 80 1.067 4.746 0.759
650 HE2 MET 80 HE2 MET 80 1.425 5.424 2.344
651 HE3 MET 80 HE3 MET 80 1.585 6.431 0.907
652 H ALA 81 H ALA 81 -1.264 9.959 4.693
653 HA ALA 81 HA ALA 81 0.627 11.735 5.887
654 HB1 ALA 81 HB1 ALA 81 -1.442 11.170 7.032
655 HB2 ALA 81 HB2 ALA 81 -0.081 10.664 8.035
656 HB3 ALA 81 HB3 ALA 81 -0.978 9.470 7.098
657 H PHE 82 H PHE 82 0.778 8.283 5.170
658 HA PHE 82 HA PHE 82 2.915 7.540 6.861
659 HB2 PHE 82 HB2 PHE 82 1.593 6.007 5.326
660 HB3 PHE 82 HB3 PHE 82 2.592 6.600 3.999
661 HD1 PHE 82 HD2 PHE 82 2.611 4.748 7.200
662 HD2 PHE 82 HD1 PHE 82 4.920 5.940 3.775
663 HE1 PHE 82 HE2 PHE 82 4.394 3.151 7.846
664 HE2 PHE 82 HE1 PHE 82 6.704 4.341 4.427
665 HZ PHE 82 HZ PHE 82 6.437 2.947 6.460
666 H GLY 83 H GLY 83 2.990 9.113 3.668
667 HA2 GLY 83 HA2 GLY 83 4.717 10.307 2.617
668 HA3 GLY 83 HA3 GLY 83 5.398 10.539 4.229
669 H GLY 84 H GLY 84 7.391 9.687 4.456
670 HA2 GLY 84 HA2 GLY 84 8.060 7.222 2.889
671 HA3 GLY 84 HA3 GLY 84 9.223 8.524 3.146
672 H LEU 85 H LEU 85 9.572 5.772 3.976
673 HA LEU 85 HA LEU 85 9.347 5.983 6.939
674 HB2 LEU 85 HB2 LEU 85 8.406 3.949 5.897
675 HB3 LEU 85 HB3 LEU 85 9.980 3.585 5.194
676 HG LEU 85 HG LEU 85 10.959 3.411 7.436
677 HD11 LEU 85 HD11 LEU 85 9.043 3.273 9.290
678 HD12 LEU 85 HD12 LEU 85 8.256 4.417 8.203
679 HD13 LEU 85 HD13 LEU 85 9.833 4.798 8.894
680 HD21 LEU 85 HD21 LEU 85 9.757 1.379 8.176
681 HD22 LEU 85 HD22 LEU 85 9.969 1.392 6.426
682 HD23 LEU 85 HD23 LEU 85 8.405 1.805 7.128
683 H LYS 86 H LYS 86 11.166 6.273 8.149
684 HA LYS 86 HA LYS 86 13.644 7.006 6.987
685 HB2 LYS 86 HB2 LYS 86 13.056 5.956 9.772
686 HB3 LYS 86 HB3 LYS 86 14.567 6.729 9.290
687 HG2 LYS 86 HG2 LYS 86 13.269 8.754 8.616
688 HG3 LYS 86 HG3 LYS 86 11.808 7.985 9.235
689 HD2 LYS 86 HD2 LYS 86 12.910 7.790 11.470
690 HD3 LYS 86 HD3 LYS 86 14.286 8.690 10.832
691 HE2 LYS 86 HE2 LYS 86 12.689 10.161 12.049
692 HE3 LYS 86 HE3 LYS 86 12.848 10.610 10.351
693 HZ1 LYS 86 HZ1 LYS 86 10.831 8.656 10.658
694 HZ2 LYS 86 HZ2 LYS 86 10.705 10.232 10.037
695 HZ3 LYS 86 HZ3 LYS 86 10.526 9.956 11.704
696 H LYS 87 H LYS 87 12.493 3.864 8.172
697 HA LYS 87 HA LYS 87 15.097 2.645 7.427
698 HB2 LYS 87 HB2 LYS 87 12.645 1.481 8.785
699 HB3 LYS 87 HB3 LYS 87 14.128 0.585 8.452
700 HG2 LYS 87 HG2 LYS 87 15.397 2.264 9.797
701 HG3 LYS 87 HG3 LYS 87 13.868 3.044 10.207
702 HD2 LYS 87 HD2 LYS 87 13.075 0.885 11.182
703 HD3 LYS 87 HD3 LYS 87 14.668 0.195 10.868
704 HE2 LYS 87 HE2 LYS 87 13.835 2.181 12.920
705 HE3 LYS 87 HE3 LYS 87 15.060 0.916 13.011
706 HZ1 LYS 87 HZ1 LYS 87 16.275 2.877 12.950
707 HZ2 LYS 87 HZ2 LYS 87 15.263 3.597 11.791
708 HZ3 LYS 87 HZ3 LYS 87 16.322 2.348 11.340
709 H GLU 88 H GLU 88 15.157 2.391 5.228
710 HA GLU 88 HA GLU 88 12.872 1.873 3.579
711 HB2 GLU 88 HB2 GLU 88 15.821 1.381 3.074
712 HB3 GLU 88 HB3 GLU 88 14.566 1.285 1.838
713 HG2 GLU 88 HG2 GLU 88 13.949 3.645 2.313
714 HG3 GLU 88 HG3 GLU 88 15.263 3.734 3.487
715 H LYS 89 H LYS 89 15.219 -0.279 5.153
716 HA LYS 89 HA LYS 89 14.485 -2.680 3.831
717 HB2 LYS 89 HB2 LYS 89 15.440 -2.235 6.673
718 HB3 LYS 89 HB3 LYS 89 15.359 -3.806 5.880
719 HG2 LYS 89 HG2 LYS 89 16.870 -2.938 4.091
720 HG3 LYS 89 HG3 LYS 89 17.020 -1.432 4.996
721 HD2 LYS 89 HD2 LYS 89 17.887 -2.729 6.943
722 HD3 LYS 89 HD3 LYS 89 17.829 -4.191 5.957
723 HE2 LYS 89 HE2 LYS 89 19.721 -3.644 4.841
724 HE3 LYS 89 HE3 LYS 89 19.215 -1.967 4.639
725 HZ1 LYS 89 HZ1 LYS 89 21.138 -2.895 6.354
726 HZ2 LYS 89 HZ2 LYS 89 19.808 -2.568 7.359
727 HZ3 LYS 89 HZ3 LYS 89 20.443 -1.348 6.362
728 H ASP 90 H ASP 90 13.176 -1.200 6.798
729 HA ASP 90 HA ASP 90 11.234 -3.248 7.291
730 HB2 ASP 90 HB2 ASP 90 11.285 -0.317 8.062
731 HB3 ASP 90 HB3 ASP 90 10.118 -1.482 8.678
732 H ARG 91 H ARG 91 11.198 -0.288 5.357
733 HA ARG 91 HA ARG 91 8.431 -0.160 4.784
734 HB2 ARG 91 HB2 ARG 91 10.150 1.562 4.151
735 HB3 ARG 91 HB3 ARG 91 10.686 0.482 2.864
736 HG2 ARG 91 HG2 ARG 91 8.444 0.527 1.864
737 HG3 ARG 91 HG3 ARG 91 7.870 1.567 3.168
738 HD2 ARG 91 HD2 ARG 91 8.384 3.006 1.310
739 HD3 ARG 91 HD3 ARG 91 9.668 3.225 2.497
740 HE ARG 91 HE ARG 91 10.406 1.165 0.635
741 HH11 ARG 91 HH21 ARG 91 9.960 4.565 0.993
742 HH12 ARG 91 HH22 ARG 91 11.134 4.981 -0.212
743 HH21 ARG 91 HH11 ARG 91 11.941 1.687 -0.939
744 HH22 ARG 91 HH12 ARG 91 12.255 3.351 -1.305
745 H ASN 92 H ASN 92 11.006 -2.024 3.177
746 HA ASN 92 HA ASN 92 9.396 -3.071 1.079
747 HB2 ASN 92 HB2 ASN 92 11.781 -4.306 2.490
748 HB3 ASN 92 HB3 ASN 92 11.100 -4.880 0.972
749 HD21 ASN 92 HD21 ASN 92 13.798 -3.923 1.121
750 HD22 ASN 92 HD22 ASN 92 13.902 -2.484 0.225
751 H ASP 93 H ASP 93 9.969 -4.203 4.395
752 HA ASP 93 HA ASP 93 8.623 -6.683 4.215
753 HB2 ASP 93 HB2 ASP 93 8.838 -4.730 6.522
754 HB3 ASP 93 HB3 ASP 93 8.203 -6.365 6.675
755 H LEU 94 H LEU 94 7.370 -3.405 4.672
756 HA LEU 94 HA LEU 94 4.682 -4.080 5.289
757 HB2 LEU 94 HB2 LEU 94 5.793 -1.711 3.755
758 HB3 LEU 94 HB3 LEU 94 4.151 -1.822 4.377
759 HG LEU 94 HG LEU 94 6.663 -1.980 6.065
760 HD11 LEU 94 HD11 LEU 94 5.345 0.262 4.951
761 HD12 LEU 94 HD12 LEU 94 6.582 0.268 6.208
762 HD13 LEU 94 HD13 LEU 94 4.875 0.212 6.650
763 HD21 LEU 94 HD21 LEU 94 3.763 -2.410 6.561
764 HD22 LEU 94 HD22 LEU 94 4.626 -1.465 7.772
765 HD23 LEU 94 HD23 LEU 94 5.158 -3.102 7.388
766 H ILE 95 H ILE 95 6.267 -3.584 2.122
767 HA ILE 95 HA ILE 95 3.974 -3.854 0.508
768 HB ILE 95 HB ILE 95 6.813 -4.742 -0.038
769 HG12 ILE 95 HG12 ILE 95 5.367 -2.177 -0.764
770 HG13 ILE 95 HG13 ILE 95 6.506 -2.333 0.574
771 HG21 ILE 95 HG21 ILE 95 6.128 -4.456 -2.423
772 HG22 ILE 95 HG22 ILE 95 4.466 -4.227 -1.876
773 HG23 ILE 95 HG23 ILE 95 5.278 -5.770 -1.613
774 HD11 ILE 95 HD11 ILE 95 8.253 -3.074 -1.043
775 HD12 ILE 95 HD12 ILE 95 7.671 -1.444 -1.381
776 HD13 ILE 95 HD13 ILE 95 7.113 -2.801 -2.360
777 H THR 96 H THR 96 6.144 -6.342 1.818
778 HA THR 96 HA THR 96 4.899 -8.576 0.546
779 HB THR 96 HB THR 96 6.142 -8.629 3.305
780 HG1 THR 96 HG1 THR 96 7.333 -7.478 1.527
781 HG21 THR 96 HG21 THR 96 5.075 -10.607 1.663
782 HG22 THR 96 HG22 THR 96 6.178 -10.866 3.014
783 HG23 THR 96 HG23 THR 96 6.813 -10.712 1.375
784 H TYR 97 H TYR 97 4.253 -6.949 3.643
785 HA TYR 97 HA TYR 97 2.255 -8.753 4.580
786 HB2 TYR 97 HB2 TYR 97 3.305 -7.014 5.997
787 HB3 TYR 97 HB3 TYR 97 2.464 -5.768 5.075
788 HD1 TYR 97 HD2 TYR 97 2.021 -8.635 7.380
789 HD2 TYR 97 HD1 TYR 97 0.112 -5.347 5.381
790 HE1 TYR 97 HE2 TYR 97 0.012 -8.936 8.803
791 HE2 TYR 97 HE1 TYR 97 -1.897 -5.650 6.803
792 HH TYR 97 HH TYR 97 -1.897 -7.573 9.596
793 H LEU 98 H LEU 98 1.979 -5.837 2.529
794 HA LEU 98 HA LEU 98 -0.851 -5.762 2.412
795 HB2 LEU 98 HB2 LEU 98 1.138 -5.048 0.234
796 HB3 LEU 98 HB3 LEU 98 -0.547 -4.542 0.291
797 HG LEU 98 HG LEU 98 1.593 -3.838 2.312
798 HD11 LEU 98 HD11 LEU 98 1.968 -2.384 0.540
799 HD12 LEU 98 HD12 LEU 98 0.753 -1.483 1.448
800 HD13 LEU 98 HD13 LEU 98 0.281 -2.414 0.027
801 HD21 LEU 98 HD21 LEU 98 -0.323 -3.907 3.629
802 HD22 LEU 98 HD22 LEU 98 -1.388 -3.527 2.274
803 HD23 LEU 98 HD23 LEU 98 -0.409 -2.258 3.011
804 H LYS 99 H LYS 99 1.493 -7.689 0.596
805 HA LYS 99 HA LYS 99 -0.292 -8.769 -1.335
806 HB2 LYS 99 HB2 LYS 99 2.195 -9.112 -1.323
807 HB3 LYS 99 HB3 LYS 99 1.998 -10.215 0.040
808 HG2 LYS 99 HG2 LYS 99 0.576 -11.680 -1.311
809 HG3 LYS 99 HG3 LYS 99 0.676 -10.557 -2.668
810 HD2 LYS 99 HD2 LYS 99 2.275 -12.356 -3.027
811 HD3 LYS 99 HD3 LYS 99 3.159 -10.869 -2.684
812 HE2 LYS 99 HE2 LYS 99 3.974 -11.661 -0.712
813 HE3 LYS 99 HE3 LYS 99 2.459 -12.460 -0.294
814 HZ1 LYS 99 HZ1 LYS 99 4.207 -13.492 -2.440
815 HZ2 LYS 99 HZ2 LYS 99 2.988 -14.307 -1.581
816 HZ3 LYS 99 HZ3 LYS 99 4.456 -13.921 -0.817
817 H LYS 100 H LYS 100 0.405 -9.696 2.014
818 HA LYS 100 HA LYS 100 -1.196 -12.060 2.069
819 HB2 LYS 100 HB2 LYS 100 0.451 -11.403 3.839
820 HB3 LYS 100 HB3 LYS 100 -0.672 -10.146 4.359
821 HG2 LYS 100 HG2 LYS 100 -2.382 -11.826 4.846
822 HG3 LYS 100 HG3 LYS 100 -1.327 -13.103 4.241
823 HD2 LYS 100 HD2 LYS 100 -1.168 -13.076 6.660
824 HD3 LYS 100 HD3 LYS 100 0.351 -12.472 5.998
825 HE2 LYS 100 HE2 LYS 100 0.020 -10.370 6.810
826 HE3 LYS 100 HE3 LYS 100 -1.712 -10.406 6.482
827 HZ1 LYS 100 HZ1 LYS 100 -0.911 -10.440 8.907
828 HZ2 LYS 100 HZ2 LYS 100 -0.561 -12.077 8.620
829 HZ3 LYS 100 HZ3 LYS 100 -2.151 -11.502 8.450
830 H ALA 101 H ALA 101 -2.000 -8.637 2.569
831 HA ALA 101 HA ALA 101 -4.652 -9.051 3.541
832 HB1 ALA 101 HB1 ALA 101 -4.752 -6.785 3.527
833 HB2 ALA 101 HB2 ALA 101 -4.328 -6.696 1.817
834 HB3 ALA 101 HB3 ALA 101 -3.061 -6.848 3.032
835 H THR 102 H THR 102 -3.329 -8.954 0.262
836 HA THR 102 HA THR 102 -5.928 -8.942 -1.025
837 HB THR 102 HB THR 102 -3.369 -8.497 -1.897
838 HG1 THR 102 HG1 THR 102 -5.694 -8.210 -2.786
839 HG21 THR 102 HG21 THR 102 -2.715 -10.221 -3.427
840 HG22 THR 102 HG22 THR 102 -4.217 -11.109 -3.174
841 HG23 THR 102 HG23 THR 102 -3.016 -11.016 -1.884
842 H GLU 103 H GLU 103 -3.741 -11.434 0.145
843 HA GLU 103 HA GLU 103 -3.974 -13.771 0.211
844 HB2 GLU 103 HB2 GLU 103 -5.914 -13.050 1.616
845 HB3 GLU 103 HB3 GLU 103 -6.925 -13.072 0.170
846 HG2 GLU 103 HG2 GLU 103 -7.226 -15.186 1.297
847 HG3 GLU 103 HG3 GLU 103 -6.266 -15.488 -0.151
848 HHA HEC 104 HA HEC 104 -4.024 4.363 -1.916
849 HHB HEC 104 HB HEC 104 0.400 1.161 1.247
850 HHC HEC 104 HC HEC 104 -0.794 4.645 6.416
851 HHD HEC 104 HD HEC 104 -5.231 7.806 3.245
852 HMA1 HEC 104 1HMA HEC 104 -0.526 -0.143 -0.339
853 HMA2 HEC 104 2HMA HEC 104 0.371 0.649 -1.632
854 HMA3 HEC 104 3HMA HEC 104 -1.253 0.028 -1.935
855 HAA1 HEC 104 1HAA HEC 104 -1.853 1.639 -3.399
856 HAA2 HEC 104 2HAA HEC 104 -3.184 2.777 -3.283
857 HBA1 HEC 104 1HBA HEC 104 -0.676 3.268 -4.403
858 HBA2 HEC 104 2HBA HEC 104 -0.632 4.100 -2.848
859 HMB1 HEC 104 1HMB HEC 104 2.080 1.000 2.532
860 HMB2 HEC 104 2HMB HEC 104 2.838 2.015 3.742
861 HMB3 HEC 104 3HMB HEC 104 2.107 0.478 4.204
862 HAB HEC 104 HAB HEC 104 0.535 3.037 7.037
863 HBB1 HEC 104 1HBB HEC 104 2.646 1.825 5.937
864 HBB2 HEC 104 2HBB HEC 104 1.737 0.391 6.411
865 HBB3 HEC 104 3HBB HEC 104 2.208 1.588 7.612
866 HMC1 HEC 104 1HMC HEC 104 -2.533 7.865 7.555
867 HMC2 HEC 104 2HMC HEC 104 -0.999 7.186 7.013
868 HMC3 HEC 104 3HMC HEC 104 -2.095 6.213 7.994
869 HAC HEC 104 HAC HEC 104 -5.770 7.570 5.434
870 HBC1 HEC 104 1HBC HEC 104 -3.597 9.460 6.309
871 HBC2 HEC 104 2HBC HEC 104 -4.948 9.756 5.215
872 HBC3 HEC 104 3HBC HEC 104 -5.229 9.644 6.953
873 HMD1 HEC 104 1HMD HEC 104 -7.112 8.235 1.062
874 HMD2 HEC 104 2HMD HEC 104 -6.155 8.705 -0.343
875 HMD3 HEC 104 3HMD HEC 104 -5.553 9.030 1.282
876 HAD1 HEC 104 1HAD HEC 104 -7.134 6.433 -1.286
877 HAD2 HEC 104 2HAD HEC 104 -6.232 5.024 -1.822
878 HBD1 HEC 104 1HBD HEC 104 -4.778 7.418 -2.501
879 HBD2 HEC 104 2HBD HEC 104 -5.405 6.162 -3.567
Start of MODEL 4
1 H1 THR -5 H1 THR -5 17.675 -1.221 -2.071
2 H2 THR -5 H2 THR -5 18.391 -0.089 -3.116
3 H3 THR -5 H3 THR -5 18.127 -1.685 -3.638
4 HA THR -5 HA THR -5 15.882 0.040 -2.800
5 HB THR -5 HB THR -5 15.968 -0.071 -5.617
6 HG1 THR -5 HG1 THR -5 17.967 0.646 -6.121
7 HG21 THR -5 HG21 THR -5 15.006 1.754 -4.348
8 HG22 THR -5 HG22 THR -5 16.294 2.405 -5.362
9 HG23 THR -5 HG23 THR -5 16.573 2.142 -3.640
10 H GLU -4 H GLU -4 17.259 -2.835 -4.214
11 HA GLU -4 HA GLU -4 14.956 -3.951 -5.441
12 HB2 GLU -4 HB2 GLU -4 17.197 -5.359 -3.953
13 HB3 GLU -4 HB3 GLU -4 16.050 -6.144 -5.040
14 HG2 GLU -4 HG2 GLU -4 16.814 -4.658 -6.882
15 HG3 GLU -4 HG3 GLU -4 18.006 -3.952 -5.792
16 H PHE -3 H PHE -3 13.235 -5.170 -4.618
17 HA PHE -3 HA PHE -3 12.872 -4.988 -1.666
18 HB2 PHE -3 HB2 PHE -3 11.009 -3.988 -2.668
19 HB3 PHE -3 HB3 PHE -3 10.990 -5.133 -4.007
20 HD1 PHE -3 HD2 PHE -3 11.286 -5.970 -0.381
21 HD2 PHE -3 HD1 PHE -3 8.766 -5.961 -3.859
22 HE1 PHE -3 HE2 PHE -3 9.627 -7.365 0.815
23 HE2 PHE -3 HE1 PHE -3 7.106 -7.353 -2.657
24 HZ PHE -3 HZ PHE -3 7.535 -8.054 -0.319
25 H LYS -2 H LYS -2 13.059 -6.827 -0.496
26 HA LYS -2 HA LYS -2 12.825 -9.440 -1.926
27 HB2 LYS -2 HB2 LYS -2 14.447 -8.743 0.541
28 HB3 LYS -2 HB3 LYS -2 14.355 -10.339 -0.204
29 HG2 LYS -2 HG2 LYS -2 15.207 -9.295 -2.341
30 HG3 LYS -2 HG3 LYS -2 15.492 -7.813 -1.427
31 HD2 LYS -2 HD2 LYS -2 16.674 -10.518 -0.734
32 HD3 LYS -2 HD3 LYS -2 17.533 -9.237 -1.591
33 HE2 LYS -2 HE2 LYS -2 16.751 -7.782 0.485
34 HE3 LYS -2 HE3 LYS -2 16.679 -9.357 1.276
35 HZ1 LYS -2 HZ1 LYS -2 18.962 -9.760 0.638
36 HZ2 LYS -2 HZ2 LYS -2 18.853 -8.314 1.522
37 HZ3 LYS -2 HZ3 LYS -2 19.037 -8.268 -0.166
38 H ALA -1 H ALA -1 11.465 -10.990 -1.014
39 HA ALA -1 HA ALA -1 9.497 -10.019 0.899
40 HB1 ALA -1 HB1 ALA -1 8.585 -12.365 0.682
41 HB2 ALA -1 HB2 ALA -1 9.929 -12.719 -0.405
42 HB3 ALA -1 HB3 ALA -1 8.734 -11.498 -0.847
43 H GLY 1 H GLY 1 10.362 -9.751 2.944
44 HA2 GLY 1 HA2 GLY 1 12.137 -11.789 4.098
45 HA3 GLY 1 HA3 GLY 1 11.586 -10.318 4.904
46 H SER 2 H SER 2 10.000 -10.547 6.416
47 HA SER 2 HA SER 2 8.414 -13.090 6.383
48 HB2 SER 2 HB2 SER 2 10.060 -12.948 8.263
49 HB3 SER 2 HB3 SER 2 9.262 -11.475 8.808
50 HG SER 2 HG SER 2 7.847 -13.884 8.375
51 H ALA 3 H ALA 3 6.246 -12.780 6.235
52 HA ALA 3 HA ALA 3 5.137 -10.120 6.060
53 HB1 ALA 3 HB1 ALA 3 4.175 -12.889 5.772
54 HB2 ALA 3 HB2 ALA 3 3.748 -11.448 4.849
55 HB3 ALA 3 HB3 ALA 3 2.964 -11.768 6.395
56 H LYS 4 H LYS 4 5.257 -12.568 8.600
57 HA LYS 4 HA LYS 4 3.348 -11.448 10.378
58 HB2 LYS 4 HB2 LYS 4 5.943 -12.833 11.111
59 HB3 LYS 4 HB3 LYS 4 4.492 -12.716 12.104
60 HG2 LYS 4 HG2 LYS 4 3.230 -13.971 10.376
61 HG3 LYS 4 HG3 LYS 4 4.718 -14.122 9.439
62 HD2 LYS 4 HD2 LYS 4 4.410 -16.166 10.716
63 HD3 LYS 4 HD3 LYS 4 5.772 -15.278 11.398
64 HE2 LYS 4 HE2 LYS 4 4.710 -14.941 13.371
65 HE3 LYS 4 HE3 LYS 4 3.187 -14.534 12.581
66 HZ1 LYS 4 HZ1 LYS 4 2.699 -16.829 12.278
67 HZ2 LYS 4 HZ2 LYS 4 3.121 -16.607 13.908
68 HZ3 LYS 4 HZ3 LYS 4 4.234 -17.298 12.828
69 H LYS 5 H LYS 5 6.850 -10.927 10.144
70 HA LYS 5 HA LYS 5 7.055 -9.028 12.255
71 HB2 LYS 5 HB2 LYS 5 8.697 -9.312 9.720
72 HB3 LYS 5 HB3 LYS 5 9.154 -8.322 11.103
73 HG2 LYS 5 HG2 LYS 5 9.053 -10.356 12.548
74 HG3 LYS 5 HG3 LYS 5 8.726 -11.321 11.108
75 HD2 LYS 5 HD2 LYS 5 10.868 -10.495 10.119
76 HD3 LYS 5 HD3 LYS 5 11.207 -9.662 11.636
77 HE2 LYS 5 HE2 LYS 5 10.756 -12.647 11.355
78 HE3 LYS 5 HE3 LYS 5 12.329 -11.872 11.534
79 HZ1 LYS 5 HZ1 LYS 5 11.925 -11.330 13.697
80 HZ2 LYS 5 HZ2 LYS 5 11.032 -12.773 13.600
81 HZ3 LYS 5 HZ3 LYS 5 10.242 -11.272 13.500
82 H GLY 6 H GLY 6 6.531 -8.534 8.750
83 HA2 GLY 6 HA2 GLY 6 6.406 -5.668 8.932
84 HA3 GLY 6 HA3 GLY 6 5.748 -6.624 7.606
85 H ALA 7 H ALA 7 4.040 -8.234 9.407
86 HA ALA 7 HA ALA 7 1.656 -6.712 9.294
87 HB1 ALA 7 HB1 ALA 7 0.653 -8.437 10.644
88 HB2 ALA 7 HB2 ALA 7 2.218 -8.905 11.309
89 HB3 ALA 7 HB3 ALA 7 1.848 -9.228 9.615
90 H THR 8 H THR 8 3.984 -7.168 11.927
91 HA THR 8 HA THR 8 2.546 -5.627 13.885
92 HB THR 8 HB THR 8 4.665 -5.598 15.080
93 HG1 THR 8 HG1 THR 8 5.950 -5.037 13.271
94 HG21 THR 8 HG21 THR 8 3.435 -7.762 14.918
95 HG22 THR 8 HG22 THR 8 5.174 -7.978 15.118
96 HG23 THR 8 HG23 THR 8 4.436 -8.183 13.529
97 H LEU 9 H LEU 9 5.080 -4.898 11.544
98 HA LEU 9 HA LEU 9 5.453 -2.147 12.156
99 HB2 LEU 9 HB2 LEU 9 5.680 -3.585 9.502
100 HB3 LEU 9 HB3 LEU 9 6.368 -2.010 9.861
101 HG LEU 9 HG LEU 9 7.075 -4.630 11.207
102 HD11 LEU 9 HD11 LEU 9 8.581 -4.761 9.544
103 HD12 LEU 9 HD12 LEU 9 9.323 -3.289 10.169
104 HD13 LEU 9 HD13 LEU 9 8.084 -3.188 8.919
105 HD21 LEU 9 HD21 LEU 9 7.688 -1.766 11.865
106 HD22 LEU 9 HD22 LEU 9 8.928 -2.986 12.152
107 HD23 LEU 9 HD23 LEU 9 7.363 -3.115 12.954
108 H PHE 10 H PHE 10 3.295 -3.730 9.809
109 HA PHE 10 HA PHE 10 2.115 -1.336 8.786
110 HB2 PHE 10 HB2 PHE 10 1.958 -3.632 7.753
111 HB3 PHE 10 HB3 PHE 10 0.834 -4.078 9.032
112 HD1 PHE 10 HD1 PHE 10 -1.418 -3.127 9.130
113 HD2 PHE 10 HD2 PHE 10 1.320 -2.049 6.000
114 HE1 PHE 10 HE1 PHE 10 -3.286 -2.137 7.836
115 HE2 PHE 10 HE2 PHE 10 -0.549 -1.058 4.707
116 HZ PHE 10 HZ PHE 10 -2.855 -1.105 5.620
117 H LYS 11 H LYS 11 1.040 -3.576 11.346
118 HA LYS 11 HA LYS 11 -1.347 -2.182 12.016
119 HB2 LYS 11 HB2 LYS 11 -0.790 -4.506 12.737
120 HB3 LYS 11 HB3 LYS 11 0.392 -3.835 13.861
121 HG2 LYS 11 HG2 LYS 11 -1.415 -2.529 14.955
122 HG3 LYS 11 HG3 LYS 11 -2.588 -3.269 13.864
123 HD2 LYS 11 HD2 LYS 11 -1.866 -5.520 14.713
124 HD3 LYS 11 HD3 LYS 11 -0.856 -4.695 15.902
125 HE2 LYS 11 HE2 LYS 11 -3.779 -4.017 15.670
126 HE3 LYS 11 HE3 LYS 11 -3.263 -5.424 16.600
127 HZ1 LYS 11 HZ1 LYS 11 -3.107 -3.881 18.220
128 HZ2 LYS 11 HZ2 LYS 11 -2.871 -2.591 17.141
129 HZ3 LYS 11 HZ3 LYS 11 -1.577 -3.620 17.533
130 H THR 12 H THR 12 1.972 -1.795 13.234
131 HA THR 12 HA THR 12 1.051 0.282 15.119
132 HB THR 12 HB THR 12 3.353 0.307 15.913
133 HG1 THR 12 HG1 THR 12 3.773 -0.712 13.434
134 HG21 THR 12 HG21 THR 12 2.157 -2.413 15.374
135 HG22 THR 12 HG22 THR 12 2.092 -1.470 16.862
136 HG23 THR 12 HG23 THR 12 3.611 -2.208 16.351
137 H ARG 13 H ARG 13 1.997 0.229 11.869
138 HA ARG 13 HA ARG 13 2.472 3.167 12.006
139 HB2 ARG 13 HB2 ARG 13 4.223 1.203 10.499
140 HB3 ARG 13 HB3 ARG 13 4.353 2.956 10.408
141 HG2 ARG 13 HG2 ARG 13 4.704 2.987 12.904
142 HG3 ARG 13 HG3 ARG 13 4.768 1.227 12.860
143 HD2 ARG 13 HD2 ARG 13 6.633 1.406 11.176
144 HD3 ARG 13 HD3 ARG 13 6.642 3.147 11.455
145 HE ARG 13 HE ARG 13 6.919 2.192 13.992
146 HH11 ARG 13 HH21 ARG 13 8.399 1.403 10.980
147 HH12 ARG 13 HH22 ARG 13 9.906 0.930 11.692
148 HH21 ARG 13 HH11 ARG 13 8.877 1.580 14.940
149 HH22 ARG 13 HH12 ARG 13 10.176 1.030 13.934
150 H CYS 14 H CYS 14 0.318 1.184 10.989
151 HA CYS 14 HA CYS 14 -0.381 2.706 8.628
152 HB2 CYS 14 HB2 CYS 14 1.537 1.058 7.968
153 HB3 CYS 14 HB3 CYS 14 0.290 -0.167 8.067
154 H LEU 15 H LEU 15 -2.141 2.519 10.490
155 HA LEU 15 HA LEU 15 -4.062 0.474 9.555
156 HB2 LEU 15 HB2 LEU 15 -4.573 -0.335 11.794
157 HB3 LEU 15 HB3 LEU 15 -2.857 -0.570 11.470
158 HG LEU 15 HG LEU 15 -4.025 1.766 13.020
159 HD11 LEU 15 HD11 LEU 15 -4.237 0.055 14.549
160 HD12 LEU 15 HD12 LEU 15 -2.543 0.467 14.820
161 HD13 LEU 15 HD13 LEU 15 -2.964 -0.912 13.803
162 HD21 LEU 15 HD21 LEU 15 -1.425 1.743 13.656
163 HD22 LEU 15 HD22 LEU 15 -2.020 2.618 12.248
164 HD23 LEU 15 HD23 LEU 15 -1.297 1.021 12.051
165 H GLN 16 H GLN 16 -3.390 3.384 11.415
166 HA GLN 16 HA GLN 16 -5.976 4.081 12.254
167 HB2 GLN 16 HB2 GLN 16 -5.217 6.404 12.209
168 HB3 GLN 16 HB3 GLN 16 -3.910 5.370 12.788
169 HG2 GLN 16 HG2 GLN 16 -2.960 5.325 10.489
170 HG3 GLN 16 HG3 GLN 16 -4.231 6.431 9.965
171 HE21 GLN 16 HE21 GLN 16 -3.999 8.666 10.481
172 HE22 GLN 16 HE22 GLN 16 -2.659 9.292 11.314
173 H CYS 17 H CYS 17 -4.563 4.241 9.030
174 HA CYS 17 HA CYS 17 -7.050 5.525 8.012
175 HB2 CYS 17 HB2 CYS 17 -4.299 5.092 6.854
176 HB3 CYS 17 HB3 CYS 17 -5.661 5.558 5.837
177 H HIS 18 H HIS 18 -4.941 3.233 6.320
178 HA HIS 18 HA HIS 18 -7.033 1.889 4.998
179 HB2 HIS 18 HB2 HIS 18 -4.268 0.913 5.755
180 HB3 HIS 18 HB3 HIS 18 -5.355 0.034 4.681
181 HD1 HIS 18 HD1 HIS 18 -5.995 1.219 2.409
182 HD2 HIS 18 HD2 HIS 18 -2.983 3.123 4.574
183 HE1 HIS 18 HE1 HIS 18 -4.906 2.868 0.823
184 H THR 19 H THR 19 -5.556 1.180 8.143
185 HA THR 19 HA THR 19 -6.130 -0.472 9.733
186 HB THR 19 HB THR 19 -9.001 -0.190 8.997
187 HG1 THR 19 HG1 THR 19 -9.067 1.918 9.278
188 HG21 THR 19 HG21 THR 19 -7.786 -1.131 11.162
189 HG22 THR 19 HG22 THR 19 -9.302 -0.239 11.290
190 HG23 THR 19 HG23 THR 19 -7.771 0.574 11.614
191 H VAL 20 H VAL 20 -5.307 -2.348 8.680
192 HA VAL 20 HA VAL 20 -7.068 -3.784 6.808
193 HB VAL 20 HB VAL 20 -4.245 -4.205 7.771
194 HG11 VAL 20 HG11 VAL 20 -4.639 -6.426 7.452
195 HG12 VAL 20 HG12 VAL 20 -4.566 -5.999 5.743
196 HG13 VAL 20 HG13 VAL 20 -6.128 -6.127 6.552
197 HG21 VAL 20 HG21 VAL 20 -3.747 -3.857 5.381
198 HG22 VAL 20 HG22 VAL 20 -4.652 -2.493 6.036
199 HG23 VAL 20 HG23 VAL 20 -5.473 -3.700 5.046
200 H GLU 21 H GLU 21 -8.585 -3.900 8.799
201 HA GLU 21 HA GLU 21 -7.924 -5.847 10.857
202 HB2 GLU 21 HB2 GLU 21 -10.612 -4.725 9.998
203 HB3 GLU 21 HB3 GLU 21 -10.311 -5.646 11.473
204 HG2 GLU 21 HG2 GLU 21 -8.679 -3.912 12.193
205 HG3 GLU 21 HG3 GLU 21 -9.071 -2.975 10.751
206 H LYS 22 H LYS 22 -8.169 -6.350 7.716
207 HA LYS 22 HA LYS 22 -8.629 -8.227 6.396
208 HB2 LYS 22 HB2 LYS 22 -9.214 -9.689 8.986
209 HB3 LYS 22 HB3 LYS 22 -8.699 -10.378 7.449
210 HG2 LYS 22 HG2 LYS 22 -6.552 -10.137 8.058
211 HG3 LYS 22 HG3 LYS 22 -6.787 -8.393 8.180
212 HD2 LYS 22 HD2 LYS 22 -6.015 -9.215 10.330
213 HD3 LYS 22 HD3 LYS 22 -7.705 -8.731 10.485
214 HE2 LYS 22 HE2 LYS 22 -8.352 -10.833 10.997
215 HE3 LYS 22 HE3 LYS 22 -7.449 -11.512 9.642
216 HZ1 LYS 22 HZ1 LYS 22 -6.556 -12.340 11.691
217 HZ2 LYS 22 HZ2 LYS 22 -6.360 -10.766 12.302
218 HZ3 LYS 22 HZ3 LYS 22 -5.419 -11.295 10.990
219 H GLY 23 H GLY 23 -10.665 -6.376 6.776
220 HA2 GLY 23 HA2 GLY 23 -12.913 -6.953 5.690
221 HA3 GLY 23 HA3 GLY 23 -13.108 -8.082 7.031
222 H GLY 24 H GLY 24 -11.725 -4.815 7.179
223 HA2 GLY 24 HA2 GLY 24 -13.890 -4.120 9.123
224 HA3 GLY 24 HA3 GLY 24 -12.278 -3.404 9.125
225 HA PRO 25 HA PRO 25 -15.582 -0.891 6.680
226 HB2 PRO 25 HB2 PRO 25 -15.262 1.337 8.354
227 HB3 PRO 25 HB3 PRO 25 -16.616 0.195 8.395
228 HG2 PRO 25 HG2 PRO 25 -14.221 0.351 10.127
229 HG3 PRO 25 HG3 PRO 25 -15.869 -0.170 10.514
230 HD2 PRO 25 HD2 PRO 25 -13.833 -1.940 10.194
231 HD3 PRO 25 HD3 PRO 25 -15.509 -2.335 9.752
232 H HIS 26 H HIS 26 -15.049 1.089 5.446
233 HA HIS 26 HA HIS 26 -12.110 1.358 5.113
234 HB2 HIS 26 HB2 HIS 26 -14.379 2.414 3.396
235 HB3 HIS 26 HB3 HIS 26 -12.665 2.493 3.003
236 HD1 HIS 26 HD1 HIS 26 -11.469 0.263 2.364
237 HD2 HIS 26 HD2 HIS 26 -15.564 -0.146 3.046
238 HE1 HIS 26 HE1 HIS 26 -12.121 -2.018 1.470
239 HE2 HIS 26 HE2 HIS 26 -14.611 -2.278 1.884
240 H LYS 27 H LYS 27 -11.041 3.222 5.617
241 HA LYS 27 HA LYS 27 -12.663 5.438 6.781
242 HB2 LYS 27 HB2 LYS 27 -9.708 4.781 7.053
243 HB3 LYS 27 HB3 LYS 27 -10.521 6.137 7.836
244 HG2 LYS 27 HG2 LYS 27 -12.053 4.521 8.963
245 HG3 LYS 27 HG3 LYS 27 -11.127 3.197 8.255
246 HD2 LYS 27 HD2 LYS 27 -9.078 4.090 9.372
247 HD3 LYS 27 HD3 LYS 27 -10.079 5.309 10.161
248 HE2 LYS 27 HE2 LYS 27 -11.377 3.583 11.284
249 HE3 LYS 27 HE3 LYS 27 -10.514 2.318 10.411
250 HZ1 LYS 27 HZ1 LYS 27 -8.483 2.954 11.485
251 HZ2 LYS 27 HZ2 LYS 27 -9.665 2.686 12.676
252 HZ3 LYS 27 HZ3 LYS 27 -9.234 4.272 12.244
253 H VAL 28 H VAL 28 -10.166 7.169 6.424
254 HA VAL 28 HA VAL 28 -10.940 8.502 4.046
255 HB VAL 28 HB VAL 28 -8.270 8.452 5.486
256 HG11 VAL 28 HG11 VAL 28 -7.533 9.372 3.529
257 HG12 VAL 28 HG12 VAL 28 -8.325 10.819 4.152
258 HG13 VAL 28 HG13 VAL 28 -9.162 9.787 2.993
259 HG21 VAL 28 HG21 VAL 28 -10.624 9.424 6.389
260 HG22 VAL 28 HG22 VAL 28 -10.082 10.815 5.449
261 HG23 VAL 28 HG23 VAL 28 -9.077 10.189 6.756
262 H GLY 29 H GLY 29 -8.560 5.941 4.601
263 HA2 GLY 29 HA2 GLY 29 -8.121 5.795 1.650
264 HA3 GLY 29 HA3 GLY 29 -6.986 5.187 2.855
265 HA PRO 30 HA PRO 30 -10.237 1.956 1.333
266 HB2 PRO 30 HB2 PRO 30 -8.438 0.464 -0.171
267 HB3 PRO 30 HB3 PRO 30 -9.580 1.648 -0.830
268 HG2 PRO 30 HG2 PRO 30 -6.679 1.920 -0.273
269 HG3 PRO 30 HG3 PRO 30 -7.656 2.625 -1.573
270 HD2 PRO 30 HD2 PRO 30 -6.830 4.072 0.584
271 HD3 PRO 30 HD3 PRO 30 -8.351 4.409 -0.269
272 H ASN 31 H ASN 31 -10.284 -0.231 2.115
273 HA ASN 31 HA ASN 31 -8.864 -0.767 4.494
274 HB2 ASN 31 HB2 ASN 31 -10.979 -1.919 3.619
275 HB3 ASN 31 HB3 ASN 31 -9.903 -2.923 2.645
276 HD21 ASN 31 HD21 ASN 31 -11.225 -4.455 4.370
277 HD22 ASN 31 HD22 ASN 31 -10.318 -4.835 5.754
278 H LEU 32 H LEU 32 -7.831 -0.984 1.241
279 HA LEU 32 HA LEU 32 -5.808 -1.644 0.296
280 HB2 LEU 32 HB2 LEU 32 -4.931 -0.467 2.408
281 HB3 LEU 32 HB3 LEU 32 -4.788 -2.067 3.118
282 HG LEU 32 HG LEU 32 -3.245 -2.759 1.344
283 HD11 LEU 32 HD11 LEU 32 -3.723 -1.652 -0.622
284 HD12 LEU 32 HD12 LEU 32 -2.425 -0.610 -0.043
285 HD13 LEU 32 HD13 LEU 32 -4.106 -0.140 0.202
286 HD21 LEU 32 HD21 LEU 32 -2.686 -0.186 2.812
287 HD22 LEU 32 HD22 LEU 32 -1.464 -0.903 1.762
288 HD23 LEU 32 HD23 LEU 32 -2.072 -1.805 3.153
289 H HIS 33 H HIS 33 -7.770 -3.520 0.440
290 HA HIS 33 HA HIS 33 -6.238 -6.025 1.003
291 HB2 HIS 33 HB2 HIS 33 -8.669 -5.155 2.190
292 HB3 HIS 33 HB3 HIS 33 -9.077 -6.472 1.091
293 HD1 HIS 33 HD1 HIS 33 -6.315 -5.794 3.651
294 HD2 HIS 33 HD2 HIS 33 -8.754 -8.902 2.322
295 HE1 HIS 33 HE1 HIS 33 -5.734 -7.813 5.066
296 HE2 HIS 33 HE2 HIS 33 -7.222 -9.711 4.274
297 H GLY 34 H GLY 34 -7.822 -4.104 -1.284
298 HA2 GLY 34 HA2 GLY 34 -8.040 -6.447 -3.138
299 HA3 GLY 34 HA3 GLY 34 -9.246 -5.165 -3.133
300 H ILE 35 H ILE 35 -6.262 -3.741 -2.560
301 HA ILE 35 HA ILE 35 -6.225 -2.349 -5.031
302 HB ILE 35 HB ILE 35 -4.001 -2.882 -3.035
303 HG12 ILE 35 HG12 ILE 35 -6.068 -0.746 -3.464
304 HG13 ILE 35 HG13 ILE 35 -5.543 -1.505 -1.964
305 HG21 ILE 35 HG21 ILE 35 -3.159 -2.322 -5.386
306 HG22 ILE 35 HG22 ILE 35 -2.659 -1.218 -4.121
307 HG23 ILE 35 HG23 ILE 35 -3.973 -0.772 -5.210
308 HD11 ILE 35 HD11 ILE 35 -4.597 0.660 -1.865
309 HD12 ILE 35 HD12 ILE 35 -4.160 0.640 -3.573
310 HD13 ILE 35 HD13 ILE 35 -3.264 -0.352 -2.424
311 H PHE 36 H PHE 36 -4.864 -5.468 -4.153
312 HA PHE 36 HA PHE 36 -3.500 -5.624 -6.790
313 HB2 PHE 36 HB2 PHE 36 -3.536 -7.595 -4.484
314 HB3 PHE 36 HB3 PHE 36 -2.538 -7.719 -5.932
315 HD1 PHE 36 HD1 PHE 36 -0.735 -6.049 -6.361
316 HD2 PHE 36 HD2 PHE 36 -2.980 -6.091 -2.699
317 HE1 PHE 36 HE1 PHE 36 0.985 -4.620 -5.289
318 HE2 PHE 36 HE2 PHE 36 -1.260 -4.663 -1.628
319 HZ PHE 36 HZ PHE 36 0.722 -3.929 -2.922
320 H GLY 37 H GLY 37 -4.437 -6.717 -8.474
321 HA2 GLY 37 HA2 GLY 37 -5.781 -9.068 -8.600
322 HA3 GLY 37 HA3 GLY 37 -7.051 -7.992 -8.020
323 H ARG 38 H ARG 38 -7.824 -6.334 -9.422
324 HA ARG 38 HA ARG 38 -7.182 -6.821 -12.293
325 HB2 ARG 38 HB2 ARG 38 -9.581 -5.470 -11.016
326 HB3 ARG 38 HB3 ARG 38 -9.363 -5.735 -12.745
327 HG2 ARG 38 HG2 ARG 38 -9.248 -8.034 -10.798
328 HG3 ARG 38 HG3 ARG 38 -10.790 -7.452 -11.423
329 HD2 ARG 38 HD2 ARG 38 -9.891 -7.749 -13.749
330 HD3 ARG 38 HD3 ARG 38 -8.454 -8.495 -13.053
331 HE ARG 38 HE ARG 38 -9.741 -10.427 -12.561
332 HH11 ARG 38 HH21 ARG 38 -11.664 -7.731 -13.515
333 HH12 ARG 38 HH22 ARG 38 -13.121 -8.655 -13.672
334 HH21 ARG 38 HH11 ARG 38 -11.630 -11.650 -12.759
335 HH22 ARG 38 HH12 ARG 38 -13.101 -10.874 -13.244
336 H HIS 39 H HIS 39 -8.138 -4.444 -13.364
337 HA HIS 39 HA HIS 39 -5.964 -2.735 -13.398
338 HB2 HIS 39 HB2 HIS 39 -8.866 -1.846 -13.519
339 HB3 HIS 39 HB3 HIS 39 -7.482 -0.968 -14.168
340 HD1 HIS 39 HD1 HIS 39 -9.547 -1.666 -16.210
341 HD2 HIS 39 HD2 HIS 39 -6.516 -4.338 -15.172
342 HE1 HIS 39 HE1 HIS 39 -9.321 -3.284 -18.148
343 HE2 HIS 39 HE2 HIS 39 -7.480 -4.913 -17.527
344 H SER 40 H SER 40 -5.901 -0.424 -12.433
345 HA SER 40 HA SER 40 -5.714 -0.627 -9.624
346 HB2 SER 40 HB2 SER 40 -5.167 1.669 -9.628
347 HB3 SER 40 HB3 SER 40 -4.630 1.091 -11.201
348 HG SER 40 HG SER 40 -7.182 1.758 -11.404
349 H GLY 41 H GLY 41 -6.966 0.508 -7.976
350 HA2 GLY 41 HA2 GLY 41 -8.970 1.105 -6.926
351 HA3 GLY 41 HA3 GLY 41 -9.562 1.612 -8.507
352 H GLN 42 H GLN 42 -9.555 -0.941 -6.149
353 HA GLN 42 HA GLN 42 -11.573 -2.389 -7.813
354 HB2 GLN 42 HB2 GLN 42 -9.326 -3.710 -6.262
355 HB3 GLN 42 HB3 GLN 42 -10.600 -4.547 -7.145
356 HG2 GLN 42 HG2 GLN 42 -9.252 -4.483 -8.951
357 HG3 GLN 42 HG3 GLN 42 -9.530 -2.743 -8.999
358 HE21 GLN 42 HE21 GLN 42 -7.674 -1.487 -8.816
359 HE22 GLN 42 HE22 GLN 42 -6.210 -2.006 -8.134
360 H ALA 43 H ALA 43 -10.943 -0.871 -4.924
361 HA ALA 43 HA ALA 43 -12.104 -2.678 -3.024
362 HB1 ALA 43 HB1 ALA 43 -12.254 0.343 -2.904
363 HB2 ALA 43 HB2 ALA 43 -10.792 -0.559 -2.508
364 HB3 ALA 43 HB3 ALA 43 -12.256 -0.789 -1.553
365 H GLU 44 H GLU 44 -14.172 -3.378 -2.941
366 HA GLU 44 HA GLU 44 -16.233 -2.341 -4.659
367 HB2 GLU 44 HB2 GLU 44 -16.401 -4.143 -2.225
368 HB3 GLU 44 HB3 GLU 44 -17.737 -3.835 -3.334
369 HG2 GLU 44 HG2 GLU 44 -16.355 -4.708 -5.207
370 HG3 GLU 44 HG3 GLU 44 -15.067 -5.078 -4.058
371 H GLY 45 H GLY 45 -15.408 -1.805 -1.260
372 HA2 GLY 45 HA2 GLY 45 -17.768 -0.066 -0.890
373 HA3 GLY 45 HA3 GLY 45 -16.579 -0.474 0.349
374 H TYR 46 H TYR 46 -14.301 0.421 -0.153
375 HA TYR 46 HA TYR 46 -14.419 3.258 -0.301
376 HB2 TYR 46 HB2 TYR 46 -12.528 2.160 0.756
377 HB3 TYR 46 HB3 TYR 46 -12.092 1.367 -0.757
378 HD1 TYR 46 HD2 TYR 46 -12.181 4.584 1.058
379 HD2 TYR 46 HD1 TYR 46 -11.061 2.578 -2.566
380 HE1 TYR 46 HE2 TYR 46 -10.839 6.554 0.382
381 HE2 TYR 46 HE1 TYR 46 -9.718 4.539 -3.249
382 HH TYR 46 HH TYR 46 -9.964 7.562 -1.684
383 H SER 47 H SER 47 -13.834 4.693 -2.004
384 HA SER 47 HA SER 47 -13.854 3.461 -4.733
385 HB2 SER 47 HB2 SER 47 -15.032 6.121 -3.880
386 HB3 SER 47 HB3 SER 47 -15.052 5.461 -5.512
387 HG SER 47 HG SER 47 -15.989 3.744 -3.585
388 H TYR 48 H TYR 48 -12.507 4.466 -6.300
389 HA TYR 48 HA TYR 48 -10.378 6.215 -5.132
390 HB2 TYR 48 HB2 TYR 48 -10.289 4.433 -7.589
391 HB3 TYR 48 HB3 TYR 48 -8.953 5.404 -6.977
392 HD1 TYR 48 HD2 TYR 48 -11.307 2.668 -6.014
393 HD2 TYR 48 HD1 TYR 48 -7.518 4.566 -5.310
394 HE1 TYR 48 HE2 TYR 48 -10.670 0.832 -4.474
395 HE2 TYR 48 HE1 TYR 48 -6.884 2.730 -3.769
396 HH TYR 48 HH TYR 48 -9.189 0.215 -2.861
397 H THR 49 H THR 49 -9.556 7.928 -6.576
398 HA THR 49 HA THR 49 -11.700 9.373 -7.860
399 HB THR 49 HB THR 49 -10.223 11.098 -7.845
400 HG1 THR 49 HG1 THR 49 -8.261 10.949 -8.923
401 HG21 THR 49 HG21 THR 49 -8.166 9.205 -6.712
402 HG22 THR 49 HG22 THR 49 -9.588 9.687 -5.784
403 HG23 THR 49 HG23 THR 49 -8.428 10.903 -6.315
404 H ASP 50 H ASP 50 -11.745 9.929 -10.188
405 HA ASP 50 HA ASP 50 -11.633 7.675 -11.884
406 HB2 ASP 50 HB2 ASP 50 -11.484 10.628 -12.559
407 HB3 ASP 50 HB3 ASP 50 -11.708 9.356 -13.760
408 H ALA 51 H ALA 51 -9.183 10.087 -11.115
409 HA ALA 51 HA ALA 51 -7.303 9.688 -13.117
410 HB1 ALA 51 HB1 ALA 51 -6.766 9.960 -10.149
411 HB2 ALA 51 HB2 ALA 51 -6.973 11.286 -11.291
412 HB3 ALA 51 HB3 ALA 51 -5.574 10.220 -11.423
413 H ASN 52 H ASN 52 -7.403 7.754 -10.077
414 HA ASN 52 HA ASN 52 -5.401 5.895 -10.859
415 HB2 ASN 52 HB2 ASN 52 -6.482 6.106 -8.570
416 HB3 ASN 52 HB3 ASN 52 -7.842 5.185 -9.218
417 HD21 ASN 52 HD21 ASN 52 -7.459 3.225 -8.014
418 HD22 ASN 52 HD22 ASN 52 -6.076 2.272 -8.237
419 H ILE 53 H ILE 53 -8.905 5.861 -11.452
420 HA ILE 53 HA ILE 53 -8.946 3.299 -12.756
421 HB ILE 53 HB ILE 53 -10.846 5.640 -13.061
422 HG12 ILE 53 HG12 ILE 53 -10.991 3.209 -11.249
423 HG13 ILE 53 HG13 ILE 53 -10.516 4.822 -10.715
424 HG21 ILE 53 HG21 ILE 53 -10.698 3.043 -14.322
425 HG22 ILE 53 HG22 ILE 53 -11.858 4.342 -14.597
426 HG23 ILE 53 HG23 ILE 53 -12.152 3.152 -13.329
427 HD11 ILE 53 HD11 ILE 53 -13.169 3.764 -11.096
428 HD12 ILE 53 HD12 ILE 53 -12.924 5.142 -12.169
429 HD13 ILE 53 HD13 ILE 53 -12.690 5.325 -10.431
430 H LYS 54 H LYS 54 -8.664 6.624 -14.047
431 HA LYS 54 HA LYS 54 -8.829 5.955 -16.790
432 HB2 LYS 54 HB2 LYS 54 -7.319 8.166 -15.383
433 HB3 LYS 54 HB3 LYS 54 -7.481 8.062 -17.134
434 HG2 LYS 54 HG2 LYS 54 -9.959 8.046 -16.874
435 HG3 LYS 54 HG3 LYS 54 -9.752 8.265 -15.139
436 HD2 LYS 54 HD2 LYS 54 -8.483 10.367 -15.594
437 HD3 LYS 54 HD3 LYS 54 -8.833 10.167 -17.312
438 HE2 LYS 54 HE2 LYS 54 -10.667 10.913 -15.076
439 HE3 LYS 54 HE3 LYS 54 -10.613 11.516 -16.733
440 HZ1 LYS 54 HZ1 LYS 54 -12.556 10.110 -16.307
441 HZ2 LYS 54 HZ2 LYS 54 -11.532 8.806 -15.938
442 HZ3 LYS 54 HZ3 LYS 54 -11.551 9.456 -17.508
443 H LYS 55 H LYS 55 -6.024 5.921 -14.613
444 HA LYS 55 HA LYS 55 -4.050 5.446 -16.613
445 HB2 LYS 55 HB2 LYS 55 -4.088 4.421 -13.757
446 HB3 LYS 55 HB3 LYS 55 -2.667 4.549 -14.791
447 HG2 LYS 55 HG2 LYS 55 -4.398 6.901 -13.978
448 HG3 LYS 55 HG3 LYS 55 -2.892 6.456 -13.180
449 HD2 LYS 55 HD2 LYS 55 -1.821 6.606 -15.527
450 HD3 LYS 55 HD3 LYS 55 -3.293 7.456 -16.002
451 HE2 LYS 55 HE2 LYS 55 -2.326 9.334 -15.221
452 HE3 LYS 55 HE3 LYS 55 -2.566 8.674 -13.604
453 HZ1 LYS 55 HZ1 LYS 55 -0.148 8.915 -15.153
454 HZ2 LYS 55 HZ2 LYS 55 -0.349 7.392 -14.427
455 HZ3 LYS 55 HZ3 LYS 55 -0.354 8.798 -13.473
456 H ASN 56 H ASN 56 -6.289 3.268 -14.970
457 HA ASN 56 HA ASN 56 -6.733 0.991 -15.338
458 HB2 ASN 56 HB2 ASN 56 -7.160 2.066 -17.645
459 HB3 ASN 56 HB3 ASN 56 -5.584 1.419 -18.098
460 HD21 ASN 56 HD21 ASN 56 -6.205 -0.921 -16.097
461 HD22 ASN 56 HD22 ASN 56 -7.201 -1.946 -17.011
462 H VAL 57 H VAL 57 -4.409 1.350 -13.987
463 HA VAL 57 HA VAL 57 -2.472 -0.489 -15.317
464 HB VAL 57 HB VAL 57 -1.587 1.785 -14.811
465 HG11 VAL 57 HG11 VAL 57 -3.089 2.063 -12.775
466 HG12 VAL 57 HG12 VAL 57 -1.414 2.562 -12.546
467 HG13 VAL 57 HG13 VAL 57 -1.969 1.015 -11.907
468 HG21 VAL 57 HG21 VAL 57 -0.086 0.294 -12.812
469 HG22 VAL 57 HG22 VAL 57 0.415 0.813 -14.421
470 HG23 VAL 57 HG23 VAL 57 -0.452 -0.709 -14.215
471 H LEU 58 H LEU 58 -1.774 -2.285 -14.155
472 HA LEU 58 HA LEU 58 -3.505 -3.095 -11.926
473 HB2 LEU 58 HB2 LEU 58 -2.941 -4.720 -13.678
474 HB3 LEU 58 HB3 LEU 58 -1.228 -4.527 -13.324
475 HG LEU 58 HG LEU 58 -1.600 -5.365 -11.032
476 HD11 LEU 58 HD11 LEU 58 -3.774 -4.799 -10.428
477 HD12 LEU 58 HD12 LEU 58 -3.962 -6.515 -10.793
478 HD13 LEU 58 HD13 LEU 58 -4.443 -5.302 -11.980
479 HD21 LEU 58 HD21 LEU 58 -1.571 -7.576 -11.670
480 HD22 LEU 58 HD22 LEU 58 -1.410 -6.848 -13.269
481 HD23 LEU 58 HD23 LEU 58 -2.988 -7.403 -12.708
482 H TRP 59 H TRP 59 -2.924 -3.005 -9.806
483 HA TRP 59 HA TRP 59 -0.373 -1.788 -9.076
484 HB2 TRP 59 HB2 TRP 59 -2.780 -2.782 -7.570
485 HB3 TRP 59 HB3 TRP 59 -1.302 -2.380 -6.703
486 HD1 TRP 59 HD1 TRP 59 -4.373 -0.849 -7.890
487 HE1 TRP 59 HE1 TRP 59 -4.198 1.741 -7.935
488 HE3 TRP 59 HE3 TRP 59 0.655 -0.339 -7.343
489 HZ2 TRP 59 HZ2 TRP 59 -2.156 3.736 -7.724
490 HZ3 TRP 59 HZ3 TRP 59 1.700 1.900 -7.251
491 HH2 TRP 59 HH2 TRP 59 0.301 3.937 -7.438
492 H ASP 60 H ASP 60 1.443 -2.866 -8.377
493 HA ASP 60 HA ASP 60 1.244 -5.706 -7.573
494 HB2 ASP 60 HB2 ASP 60 2.948 -4.726 -9.885
495 HB3 ASP 60 HB3 ASP 60 3.092 -6.322 -9.149
496 H GLU 61 H GLU 61 3.632 -6.439 -6.978
497 HA GLU 61 HA GLU 61 4.560 -4.719 -4.910
498 HB2 GLU 61 HB2 GLU 61 6.019 -6.933 -6.382
499 HB3 GLU 61 HB3 GLU 61 6.576 -6.189 -4.885
500 HG2 GLU 61 HG2 GLU 61 4.469 -6.886 -3.773
501 HG3 GLU 61 HG3 GLU 61 3.966 -7.683 -5.265
502 H ASN 62 H ASN 62 5.632 -5.132 -8.268
503 HA ASN 62 HA ASN 62 7.926 -3.423 -8.087
504 HB2 ASN 62 HB2 ASN 62 6.134 -4.050 -10.453
505 HB3 ASN 62 HB3 ASN 62 7.703 -3.253 -10.563
506 HD21 ASN 62 HD21 ASN 62 9.181 -4.776 -8.675
507 HD22 ASN 62 HD22 ASN 62 9.301 -6.376 -9.231
508 H ASN 63 H ASN 63 4.553 -2.789 -9.009
509 HA ASN 63 HA ASN 63 4.890 -0.002 -9.558
510 HB2 ASN 63 HB2 ASN 63 2.435 -1.454 -8.522
511 HB3 ASN 63 HB3 ASN 63 2.446 0.143 -9.268
512 HD21 ASN 63 HD21 ASN 63 1.263 -2.579 -10.185
513 HD22 ASN 63 HD22 ASN 63 1.854 -2.752 -11.769
514 H MET 64 H MET 64 4.276 -1.805 -6.586
515 HA MET 64 HA MET 64 3.663 0.383 -4.871
516 HB2 MET 64 HB2 MET 64 5.002 -2.282 -4.387
517 HB3 MET 64 HB3 MET 64 4.686 -1.149 -3.077
518 HG2 MET 64 HG2 MET 64 2.931 -3.070 -3.887
519 HG3 MET 64 HG3 MET 64 2.449 -1.578 -3.086
520 HE1 MET 64 HE1 MET 64 0.265 -1.618 -3.773
521 HE2 MET 64 HE2 MET 64 -0.322 -0.891 -5.267
522 HE3 MET 64 HE3 MET 64 0.683 0.055 -4.171
523 H SER 65 H SER 65 6.792 -0.961 -5.910
524 HA SER 65 HA SER 65 8.428 0.598 -4.172
525 HB2 SER 65 HB2 SER 65 9.084 -0.302 -6.991
526 HB3 SER 65 HB3 SER 65 10.241 0.133 -5.735
527 HG SER 65 HG SER 65 8.317 -1.939 -5.486
528 H GLU 66 H GLU 66 7.179 1.262 -7.434
529 HA GLU 66 HA GLU 66 8.434 3.844 -7.669
530 HB2 GLU 66 HB2 GLU 66 5.994 2.670 -9.037
531 HB3 GLU 66 HB3 GLU 66 6.773 4.178 -9.507
532 HG2 GLU 66 HG2 GLU 66 8.896 2.945 -9.883
533 HG3 GLU 66 HG3 GLU 66 8.071 1.440 -9.480
534 H TYR 67 H TYR 67 5.411 2.687 -6.314
535 HA TYR 67 HA TYR 67 4.050 5.168 -6.080
536 HB2 TYR 67 HB2 TYR 67 2.913 3.051 -5.714
537 HB3 TYR 67 HB3 TYR 67 3.958 2.684 -4.346
538 HD1 TYR 67 HD2 TYR 67 2.003 5.745 -5.382
539 HD2 TYR 67 HD1 TYR 67 2.796 2.798 -2.358
540 HE1 TYR 67 HE2 TYR 67 0.432 6.893 -3.847
541 HE2 TYR 67 HE1 TYR 67 1.222 3.943 -0.832
542 HH TYR 67 HH TYR 67 0.262 6.948 -1.094
543 H LEU 68 H LEU 68 6.274 3.545 -3.796
544 HA LEU 68 HA LEU 68 6.114 5.745 -1.893
545 HB2 LEU 68 HB2 LEU 68 7.730 3.230 -2.130
546 HB3 LEU 68 HB3 LEU 68 8.240 4.480 -0.996
547 HG LEU 68 HG LEU 68 6.096 4.417 0.130
548 HD11 LEU 68 HD11 LEU 68 4.401 2.684 -0.613
549 HD12 LEU 68 HD12 LEU 68 5.345 2.505 -2.093
550 HD13 LEU 68 HD13 LEU 68 4.595 4.053 -1.707
551 HD21 LEU 68 HD21 LEU 68 7.443 1.773 -0.387
552 HD22 LEU 68 HD22 LEU 68 6.038 1.863 0.676
553 HD23 LEU 68 HD23 LEU 68 7.498 2.776 1.063
554 H THR 69 H THR 69 8.495 4.665 -4.302
555 HA THR 69 HA THR 69 10.361 6.798 -3.682
556 HB THR 69 HB THR 69 11.582 6.033 -5.640
557 HG1 THR 69 HG1 THR 69 9.092 4.881 -6.225
558 HG21 THR 69 HG21 THR 69 10.299 3.832 -4.011
559 HG22 THR 69 HG22 THR 69 11.855 4.613 -3.728
560 HG23 THR 69 HG23 THR 69 11.642 3.550 -5.119
561 H ASN 70 H ASN 70 7.773 6.389 -6.077
562 HA ASN 70 HA ASN 70 7.966 9.304 -6.619
563 HB2 ASN 70 HB2 ASN 70 9.267 7.955 -8.364
564 HB3 ASN 70 HB3 ASN 70 7.706 7.318 -8.882
565 HD21 ASN 70 HD21 ASN 70 8.224 8.515 -10.977
566 HD22 ASN 70 HD22 ASN 70 7.859 10.170 -11.065
567 H HIS 71 H HIS 71 5.954 9.944 -5.972
568 HA HIS 71 HA HIS 71 3.628 8.640 -7.271
569 HB2 HIS 71 HB2 HIS 71 2.479 8.952 -4.924
570 HB3 HIS 71 HB3 HIS 71 3.449 7.514 -5.242
571 HD1 HIS 71 HD1 HIS 71 3.019 9.916 -2.699
572 HD2 HIS 71 HD2 HIS 71 6.401 8.260 -4.494
573 HE1 HIS 71 HE1 HIS 71 4.944 10.303 -1.096
574 HE2 HIS 71 HE2 HIS 71 7.007 9.301 -2.181
575 H ALA 72 H ALA 72 2.115 10.141 -7.897
576 HA ALA 72 HA ALA 72 1.270 12.469 -6.702
577 HB1 ALA 72 HB1 ALA 72 3.974 12.813 -7.927
578 HB2 ALA 72 HB2 ALA 72 3.262 13.621 -6.529
579 HB3 ALA 72 HB3 ALA 72 2.807 14.117 -8.157
580 H LYS 73 H LYS 73 2.640 13.278 -9.770
581 HA LYS 73 HA LYS 73 0.107 13.593 -11.028
582 HB2 LYS 73 HB2 LYS 73 2.849 13.189 -12.264
583 HB3 LYS 73 HB3 LYS 73 1.420 13.721 -13.151
584 HG2 LYS 73 HG2 LYS 73 1.225 15.662 -11.591
585 HG3 LYS 73 HG3 LYS 73 2.732 15.157 -10.826
586 HD2 LYS 73 HD2 LYS 73 3.869 15.338 -13.044
587 HD3 LYS 73 HD3 LYS 73 2.368 15.966 -13.725
588 HE2 LYS 73 HE2 LYS 73 3.018 17.405 -11.310
589 HE3 LYS 73 HE3 LYS 73 4.395 17.435 -12.411
590 HZ1 LYS 73 HZ1 LYS 73 2.178 17.836 -13.988
591 HZ2 LYS 73 HZ2 LYS 73 3.323 19.004 -13.525
592 HZ3 LYS 73 HZ3 LYS 73 1.906 18.791 -12.612
593 H TYR 74 H TYR 74 2.303 10.858 -10.856
594 HA TYR 74 HA TYR 74 1.255 9.222 -12.901
595 HB2 TYR 74 HB2 TYR 74 3.214 8.450 -11.869
596 HB3 TYR 74 HB3 TYR 74 2.556 8.666 -10.248
597 HD1 TYR 74 HD2 TYR 74 1.163 6.959 -13.286
598 HD2 TYR 74 HD1 TYR 74 2.474 6.598 -9.217
599 HE1 TYR 74 HE2 TYR 74 0.416 4.592 -13.257
600 HE2 TYR 74 HE1 TYR 74 1.734 4.234 -9.181
601 HH TYR 74 HH TYR 74 -0.135 2.874 -10.598
602 H ILE 75 H ILE 75 0.164 9.556 -9.522
603 HA ILE 75 HA ILE 75 -2.344 8.098 -10.292
604 HB ILE 75 HB ILE 75 -2.274 7.938 -7.563
605 HG12 ILE 75 HG12 ILE 75 0.595 7.643 -8.477
606 HG13 ILE 75 HG13 ILE 75 -0.015 9.065 -7.632
607 HG21 ILE 75 HG21 ILE 75 -1.324 6.149 -9.774
608 HG22 ILE 75 HG22 ILE 75 -2.659 5.915 -8.645
609 HG23 ILE 75 HG23 ILE 75 -1.000 5.665 -8.113
610 HD11 ILE 75 HD11 ILE 75 -0.846 7.461 -5.825
611 HD12 ILE 75 HD12 ILE 75 0.902 7.662 -5.939
612 HD13 ILE 75 HD13 ILE 75 0.134 6.224 -6.612
613 HA PRO 76 HA PRO 76 -5.154 11.357 -9.321
614 HB2 PRO 76 HB2 PRO 76 -5.665 10.270 -6.615
615 HB3 PRO 76 HB3 PRO 76 -6.798 10.563 -7.942
616 HG2 PRO 76 HG2 PRO 76 -5.581 8.096 -7.172
617 HG3 PRO 76 HG3 PRO 76 -6.717 8.391 -8.496
618 HD2 PRO 76 HD2 PRO 76 -4.069 7.642 -8.842
619 HD3 PRO 76 HD3 PRO 76 -5.044 8.463 -10.073
620 H GLY 77 H GLY 77 -5.086 13.372 -8.213
621 HA2 GLY 77 HA2 GLY 77 -2.589 14.063 -6.959
622 HA3 GLY 77 HA3 GLY 77 -4.008 15.107 -7.052
623 H THR 78 H THR 78 -4.094 11.906 -5.593
624 HA THR 78 HA THR 78 -5.211 12.967 -3.147
625 HB THR 78 HB THR 78 -5.530 10.617 -4.226
626 HG1 THR 78 HG1 THR 78 -4.997 10.888 -1.453
627 HG21 THR 78 HG21 THR 78 -3.978 8.926 -3.625
628 HG22 THR 78 HG22 THR 78 -3.167 9.971 -2.458
629 HG23 THR 78 HG23 THR 78 -2.978 10.267 -4.187
630 H LYS 79 H LYS 79 -4.153 13.565 -1.301
631 HA LYS 79 HA LYS 79 -1.191 13.278 -1.269
632 HB2 LYS 79 HB2 LYS 79 -3.070 14.949 0.436
633 HB3 LYS 79 HB3 LYS 79 -1.314 14.926 0.605
634 HG2 LYS 79 HG2 LYS 79 -1.115 15.651 -1.777
635 HG3 LYS 79 HG3 LYS 79 -2.873 15.787 -1.848
636 HD2 LYS 79 HD2 LYS 79 -2.782 17.409 0.049
637 HD3 LYS 79 HD3 LYS 79 -1.021 17.334 -0.013
638 HE2 LYS 79 HE2 LYS 79 -1.589 19.240 -1.313
639 HE3 LYS 79 HE3 LYS 79 -1.249 17.974 -2.494
640 HZ1 LYS 79 HZ1 LYS 79 -3.796 17.528 -2.194
641 HZ2 LYS 79 HZ2 LYS 79 -3.239 18.730 -3.259
642 HZ3 LYS 79 HZ3 LYS 79 -3.814 19.156 -1.718
643 H MET 80 H MET 80 -0.226 11.869 0.156
644 HA MET 80 HA MET 80 -2.024 10.527 2.132
645 HB2 MET 80 HB2 MET 80 -1.007 9.165 0.205
646 HB3 MET 80 HB3 MET 80 0.542 9.378 1.022
647 HG2 MET 80 HG2 MET 80 -0.139 8.142 2.904
648 HG3 MET 80 HG3 MET 80 -1.849 8.329 2.529
649 HE1 MET 80 HE1 MET 80 1.312 6.533 2.232
650 HE2 MET 80 HE2 MET 80 1.430 6.991 0.537
651 HE3 MET 80 HE3 MET 80 1.150 5.309 0.971
652 H ALA 81 H ALA 81 -1.456 10.591 4.254
653 HA ALA 81 HA ALA 81 0.539 12.423 5.168
654 HB1 ALA 81 HB1 ALA 81 0.022 10.649 7.281
655 HB2 ALA 81 HB2 ALA 81 -1.467 10.679 6.335
656 HB3 ALA 81 HB3 ALA 81 -0.792 12.181 6.969
657 H PHE 82 H PHE 82 0.625 8.950 4.571
658 HA PHE 82 HA PHE 82 3.337 8.785 5.775
659 HB2 PHE 82 HB2 PHE 82 1.490 7.020 6.120
660 HB3 PHE 82 HB3 PHE 82 1.800 6.541 4.453
661 HD1 PHE 82 HD1 PHE 82 3.183 6.716 7.862
662 HD2 PHE 82 HD2 PHE 82 3.902 5.458 3.817
663 HE1 PHE 82 HE1 PHE 82 5.111 5.355 8.627
664 HE2 PHE 82 HE2 PHE 82 5.833 4.097 4.585
665 HZ PHE 82 HZ PHE 82 6.428 4.047 6.994
666 H GLY 83 H GLY 83 5.134 8.870 4.489
667 HA2 GLY 83 HA2 GLY 83 4.822 8.275 1.581
668 HA3 GLY 83 HA3 GLY 83 5.599 9.777 2.084
669 H GLY 84 H GLY 84 5.843 6.366 3.148
670 HA2 GLY 84 HA2 GLY 84 7.772 4.964 2.964
671 HA3 GLY 84 HA3 GLY 84 8.695 6.353 2.386
672 H LEU 85 H LEU 85 10.000 4.966 4.246
673 HA LEU 85 HA LEU 85 9.906 6.773 6.581
674 HB2 LEU 85 HB2 LEU 85 10.041 4.808 8.151
675 HB3 LEU 85 HB3 LEU 85 8.483 4.986 7.352
676 HG LEU 85 HG LEU 85 10.686 3.143 6.379
677 HD11 LEU 85 HD11 LEU 85 9.273 1.330 7.302
678 HD12 LEU 85 HD12 LEU 85 8.176 2.540 7.971
679 HD13 LEU 85 HD13 LEU 85 9.831 2.421 8.570
680 HD21 LEU 85 HD21 LEU 85 9.381 3.272 4.507
681 HD22 LEU 85 HD22 LEU 85 8.007 3.930 5.392
682 HD23 LEU 85 HD23 LEU 85 8.313 2.196 5.406
683 H LYS 86 H LYS 86 11.904 6.737 7.805
684 HA LYS 86 HA LYS 86 14.242 6.546 6.228
685 HB2 LYS 86 HB2 LYS 86 13.943 6.441 9.243
686 HB3 LYS 86 HB3 LYS 86 15.470 6.692 8.398
687 HG2 LYS 86 HG2 LYS 86 14.479 8.700 7.288
688 HG3 LYS 86 HG3 LYS 86 13.025 8.479 8.262
689 HD2 LYS 86 HD2 LYS 86 14.430 8.649 10.321
690 HD3 LYS 86 HD3 LYS 86 15.824 9.002 9.301
691 HE2 LYS 86 HE2 LYS 86 14.912 11.110 10.063
692 HE3 LYS 86 HE3 LYS 86 14.541 10.948 8.347
693 HZ1 LYS 86 HZ1 LYS 86 12.605 9.920 10.287
694 HZ2 LYS 86 HZ2 LYS 86 12.345 10.602 8.753
695 HZ3 LYS 86 HZ3 LYS 86 12.705 11.600 10.079
696 H LYS 87 H LYS 87 12.724 4.136 8.338
697 HA LYS 87 HA LYS 87 14.953 2.282 8.185
698 HB2 LYS 87 HB2 LYS 87 12.037 1.833 8.891
699 HB3 LYS 87 HB3 LYS 87 13.319 0.641 9.104
700 HG2 LYS 87 HG2 LYS 87 14.526 2.265 10.571
701 HG3 LYS 87 HG3 LYS 87 13.151 3.361 10.432
702 HD2 LYS 87 HD2 LYS 87 11.682 1.557 11.354
703 HD3 LYS 87 HD3 LYS 87 13.120 0.567 11.607
704 HE2 LYS 87 HE2 LYS 87 13.998 2.713 12.874
705 HE3 LYS 87 HE3 LYS 87 12.277 3.074 13.018
706 HZ1 LYS 87 HZ1 LYS 87 12.108 0.653 13.809
707 HZ2 LYS 87 HZ2 LYS 87 12.714 1.817 14.888
708 HZ3 LYS 87 HZ3 LYS 87 13.778 0.769 14.078
709 H GLU 88 H GLU 88 15.413 2.090 5.934
710 HA GLU 88 HA GLU 88 13.434 1.428 3.962
711 HB2 GLU 88 HB2 GLU 88 16.430 0.959 4.000
712 HB3 GLU 88 HB3 GLU 88 15.406 0.744 2.580
713 HG2 GLU 88 HG2 GLU 88 15.693 3.332 4.136
714 HG3 GLU 88 HG3 GLU 88 16.500 2.976 2.608
715 H LYS 89 H LYS 89 15.494 -0.552 6.065
716 HA LYS 89 HA LYS 89 15.014 -3.065 4.828
717 HB2 LYS 89 HB2 LYS 89 16.687 -2.656 6.643
718 HB3 LYS 89 HB3 LYS 89 15.355 -2.529 7.792
719 HG2 LYS 89 HG2 LYS 89 14.633 -4.826 7.178
720 HG3 LYS 89 HG3 LYS 89 16.019 -4.952 6.094
721 HD2 LYS 89 HD2 LYS 89 17.522 -4.515 8.050
722 HD3 LYS 89 HD3 LYS 89 16.105 -4.563 9.100
723 HE2 LYS 89 HE2 LYS 89 17.068 -6.818 7.313
724 HE3 LYS 89 HE3 LYS 89 17.217 -6.754 9.070
725 HZ1 LYS 89 HZ1 LYS 89 15.100 -7.753 7.636
726 HZ2 LYS 89 HZ2 LYS 89 14.543 -6.265 8.239
727 HZ3 LYS 89 HZ3 LYS 89 15.139 -7.447 9.304
728 H ASP 90 H ASP 90 13.218 -1.407 7.422
729 HA ASP 90 HA ASP 90 11.238 -3.441 7.758
730 HB2 ASP 90 HB2 ASP 90 11.133 -0.450 8.243
731 HB3 ASP 90 HB3 ASP 90 9.880 -1.576 8.754
732 H ARG 91 H ARG 91 11.473 -0.658 5.586
733 HA ARG 91 HA ARG 91 8.843 -0.671 4.554
734 HB2 ARG 91 HB2 ARG 91 10.559 1.065 4.055
735 HB3 ARG 91 HB3 ARG 91 11.399 -0.097 3.030
736 HG2 ARG 91 HG2 ARG 91 9.320 -0.329 1.662
737 HG3 ARG 91 HG3 ARG 91 8.578 0.941 2.637
738 HD2 ARG 91 HD2 ARG 91 11.117 1.244 1.005
739 HD3 ARG 91 HD3 ARG 91 9.529 1.857 0.544
740 HE ARG 91 HE ARG 91 10.422 2.799 3.162
741 HH11 ARG 91 HH21 ARG 91 10.454 3.233 -0.258
742 HH12 ARG 91 HH22 ARG 91 10.768 4.934 -0.172
743 HH21 ARG 91 HH11 ARG 91 10.830 5.019 3.293
744 HH22 ARG 91 HH12 ARG 91 10.980 5.945 1.838
745 H ASN 92 H ASN 92 11.676 -2.591 3.567
746 HA ASN 92 HA ASN 92 10.478 -3.833 1.308
747 HB2 ASN 92 HB2 ASN 92 12.581 -4.868 3.230
748 HB3 ASN 92 HB3 ASN 92 12.185 -5.621 1.688
749 HD21 ASN 92 HD21 ASN 92 14.803 -4.576 2.186
750 HD22 ASN 92 HD22 ASN 92 15.044 -3.232 1.177
751 H ASP 93 H ASP 93 10.641 -4.918 4.704
752 HA ASP 93 HA ASP 93 9.125 -7.310 4.305
753 HB2 ASP 93 HB2 ASP 93 9.501 -5.574 6.762
754 HB3 ASP 93 HB3 ASP 93 8.742 -7.162 6.780
755 H LEU 94 H LEU 94 8.215 -3.977 4.999
756 HA LEU 94 HA LEU 94 5.484 -4.365 5.637
757 HB2 LEU 94 HB2 LEU 94 6.802 -2.212 5.767
758 HB3 LEU 94 HB3 LEU 94 6.626 -2.073 4.024
759 HG LEU 94 HG LEU 94 4.155 -2.152 4.287
760 HD11 LEU 94 HD11 LEU 94 4.978 -2.556 7.126
761 HD12 LEU 94 HD12 LEU 94 3.604 -3.228 6.247
762 HD13 LEU 94 HD13 LEU 94 3.548 -1.565 6.833
763 HD21 LEU 94 HD21 LEU 94 4.441 0.050 6.032
764 HD22 LEU 94 HD22 LEU 94 4.425 0.087 4.269
765 HD23 LEU 94 HD23 LEU 94 5.955 -0.051 5.134
766 H ILE 95 H ILE 95 7.052 -3.917 2.478
767 HA ILE 95 HA ILE 95 4.719 -3.890 0.881
768 HB ILE 95 HB ILE 95 7.459 -5.021 0.243
769 HG12 ILE 95 HG12 ILE 95 6.260 -2.300 -0.361
770 HG13 ILE 95 HG13 ILE 95 7.373 -2.614 0.970
771 HG21 ILE 95 HG21 ILE 95 5.103 -4.252 -1.490
772 HG22 ILE 95 HG22 ILE 95 5.874 -5.832 -1.369
773 HG23 ILE 95 HG23 ILE 95 6.734 -4.487 -2.118
774 HD11 ILE 95 HD11 ILE 95 7.985 -2.139 -1.798
775 HD12 ILE 95 HD12 ILE 95 8.535 -3.754 -1.354
776 HD13 ILE 95 HD13 ILE 95 9.098 -2.351 -0.447
777 H THR 96 H THR 96 6.666 -6.628 2.044
778 HA THR 96 HA THR 96 5.262 -8.685 0.673
779 HB THR 96 HB THR 96 6.473 -8.881 3.444
780 HG1 THR 96 HG1 THR 96 7.734 -7.984 1.527
781 HG21 THR 96 HG21 THR 96 5.136 -10.750 1.824
782 HG22 THR 96 HG22 THR 96 6.111 -11.093 3.253
783 HG23 THR 96 HG23 THR 96 6.851 -11.123 1.653
784 H TYR 97 H TYR 97 4.610 -7.120 3.800
785 HA TYR 97 HA TYR 97 2.474 -8.811 4.613
786 HB2 TYR 97 HB2 TYR 97 3.517 -7.168 6.121
787 HB3 TYR 97 HB3 TYR 97 2.842 -5.852 5.159
788 HD1 TYR 97 HD1 TYR 97 1.967 -8.766 7.299
789 HD2 TYR 97 HD2 TYR 97 0.563 -5.183 5.391
790 HE1 TYR 97 HE1 TYR 97 -0.161 -8.925 8.564
791 HE2 TYR 97 HE2 TYR 97 -1.563 -5.341 6.657
792 HH TYR 97 HH TYR 97 -1.994 -7.038 9.318
793 H LEU 98 H LEU 98 2.449 -5.888 2.563
794 HA LEU 98 HA LEU 98 -0.358 -5.624 2.343
795 HB2 LEU 98 HB2 LEU 98 1.771 -5.062 0.259
796 HB3 LEU 98 HB3 LEU 98 0.114 -4.470 0.200
797 HG LEU 98 HG LEU 98 2.126 -3.863 2.386
798 HD11 LEU 98 HD11 LEU 98 2.475 -2.736 0.147
799 HD12 LEU 98 HD12 LEU 98 2.162 -1.626 1.482
800 HD13 LEU 98 HD13 LEU 98 0.877 -2.012 0.337
801 HD21 LEU 98 HD21 LEU 98 -0.810 -3.357 2.045
802 HD22 LEU 98 HD22 LEU 98 0.169 -2.103 2.808
803 HD23 LEU 98 HD23 LEU 98 0.100 -3.718 3.514
804 H LYS 99 H LYS 99 1.892 -7.729 0.587
805 HA LYS 99 HA LYS 99 0.056 -8.689 -1.365
806 HB2 LYS 99 HB2 LYS 99 2.530 -9.207 -1.290
807 HB3 LYS 99 HB3 LYS 99 2.196 -10.330 0.029
808 HG2 LYS 99 HG2 LYS 99 0.447 -11.373 -1.578
809 HG3 LYS 99 HG3 LYS 99 1.304 -10.495 -2.846
810 HD2 LYS 99 HD2 LYS 99 2.667 -12.368 -0.893
811 HD3 LYS 99 HD3 LYS 99 2.119 -12.858 -2.497
812 HE2 LYS 99 HE2 LYS 99 3.525 -11.026 -3.473
813 HE3 LYS 99 HE3 LYS 99 4.159 -10.712 -1.857
814 HZ1 LYS 99 HZ1 LYS 99 4.929 -12.702 -3.701
815 HZ2 LYS 99 HZ2 LYS 99 4.357 -13.444 -2.284
816 HZ3 LYS 99 HZ3 LYS 99 5.625 -12.316 -2.203
817 H LYS 100 H LYS 100 0.715 -9.742 1.963
818 HA LYS 100 HA LYS 100 -1.091 -11.953 1.987
819 HB2 LYS 100 HB2 LYS 100 0.649 -11.501 3.733
820 HB3 LYS 100 HB3 LYS 100 -0.343 -10.166 4.319
821 HG2 LYS 100 HG2 LYS 100 -2.182 -11.695 4.811
822 HG3 LYS 100 HG3 LYS 100 -1.275 -13.046 4.128
823 HD2 LYS 100 HD2 LYS 100 -1.028 -13.137 6.531
824 HD3 LYS 100 HD3 LYS 100 0.514 -12.617 5.849
825 HE2 LYS 100 HE2 LYS 100 0.217 -10.395 6.537
826 HE3 LYS 100 HE3 LYS 100 -1.530 -10.576 6.692
827 HZ1 LYS 100 HZ1 LYS 100 0.139 -10.658 8.755
828 HZ2 LYS 100 HZ2 LYS 100 0.082 -12.312 8.371
829 HZ3 LYS 100 HZ3 LYS 100 -1.350 -11.471 8.732
830 H ALA 101 H ALA 101 -1.574 -8.491 2.492
831 HA ALA 101 HA ALA 101 -4.174 -8.612 3.622
832 HB1 ALA 101 HB1 ALA 101 -3.935 -6.374 3.579
833 HB2 ALA 101 HB2 ALA 101 -3.956 -6.374 1.816
834 HB3 ALA 101 HB3 ALA 101 -2.433 -6.591 2.680
835 H THR 102 H THR 102 -3.107 -8.810 0.248
836 HA THR 102 HA THR 102 -5.749 -8.594 -0.880
837 HB THR 102 HB THR 102 -3.282 -8.568 -1.972
838 HG1 THR 102 HG1 THR 102 -5.538 -8.165 -2.818
839 HG21 THR 102 HG21 THR 102 -4.351 -11.284 -2.760
840 HG22 THR 102 HG22 THR 102 -3.123 -11.080 -1.512
841 HG23 THR 102 HG23 THR 102 -2.792 -10.571 -3.165
842 H GLU 103 H GLU 103 -3.869 -11.273 0.418
843 HA GLU 103 HA GLU 103 -5.447 -13.415 -0.607
844 HB2 GLU 103 HB2 GLU 103 -3.243 -13.678 0.558
845 HB3 GLU 103 HB3 GLU 103 -4.048 -13.298 2.080
846 HG2 GLU 103 HG2 GLU 103 -5.592 -15.219 1.703
847 HG3 GLU 103 HG3 GLU 103 -4.684 -15.628 0.248
848 HHA HEC 104 HA HEC 104 -4.085 4.569 -2.222
849 HHB HEC 104 HB HEC 104 0.649 1.734 0.783
850 HHC HEC 104 HC HEC 104 -0.703 5.061 6.033
851 HHD HEC 104 HD HEC 104 -5.388 7.955 2.949
852 HMA1 HEC 104 1HMA HEC 104 0.637 1.254 -2.028
853 HMA2 HEC 104 2HMA HEC 104 -0.937 0.561 -2.422
854 HMA3 HEC 104 3HMA HEC 104 -0.265 0.361 -0.803
855 HAA1 HEC 104 1HAA HEC 104 -1.425 2.325 -3.826
856 HAA2 HEC 104 2HAA HEC 104 -3.104 2.817 -3.658
857 HBA1 HEC 104 1HBA HEC 104 -0.796 4.392 -4.449
858 HBA2 HEC 104 2HBA HEC 104 -1.646 5.133 -3.093
859 HMB1 HEC 104 1HMB HEC 104 2.510 1.232 3.803
860 HMB2 HEC 104 2HMB HEC 104 2.286 1.503 2.093
861 HMB3 HEC 104 3HMB HEC 104 3.052 2.740 3.073
862 HAB HEC 104 HAB HEC 104 0.717 3.549 6.602
863 HBB1 HEC 104 1HBB HEC 104 2.777 2.723 7.031
864 HBB2 HEC 104 2HBB HEC 104 3.012 2.881 5.300
865 HBB3 HEC 104 3HBB HEC 104 2.549 1.325 5.988
866 HMC1 HEC 104 1HMC HEC 104 -1.003 7.400 6.691
867 HMC2 HEC 104 2HMC HEC 104 -2.222 6.619 7.697
868 HMC3 HEC 104 3HMC HEC 104 -2.480 8.264 7.114
869 HAC HEC 104 HAC HEC 104 -5.838 7.836 5.150
870 HBC1 HEC 104 1HBC HEC 104 -5.403 10.050 5.171
871 HBC2 HEC 104 2HBC HEC 104 -4.816 9.844 6.821
872 HBC3 HEC 104 3HBC HEC 104 -3.688 9.766 5.467
873 HMD1 HEC 104 1HMD HEC 104 -5.833 9.144 1.000
874 HMD2 HEC 104 2HMD HEC 104 -7.346 8.256 0.811
875 HMD3 HEC 104 3HMD HEC 104 -6.447 8.781 -0.614
876 HAD1 HEC 104 1HAD HEC 104 -7.150 6.817 -1.718
877 HAD2 HEC 104 2HAD HEC 104 -6.672 5.128 -1.820
878 HBD1 HEC 104 1HBD HEC 104 -4.588 6.664 -2.998
879 HBD2 HEC 104 2HBD HEC 104 -5.694 5.544 -3.792
Start of MODEL 5
1 H1 THR -5 H1 THR -5 14.159 1.856 -7.437
2 H2 THR -5 H2 THR -5 12.889 1.740 -6.315
3 H3 THR -5 H3 THR -5 13.065 0.563 -7.528
4 HA THR -5 HA THR -5 15.464 0.432 -6.336
5 HB THR -5 HB THR -5 13.364 1.249 -4.329
6 HG1 THR -5 HG1 THR -5 16.085 1.851 -4.213
7 HG21 THR -5 HG21 THR -5 14.063 -0.750 -3.332
8 HG22 THR -5 HG22 THR -5 15.190 0.425 -2.653
9 HG23 THR -5 HG23 THR -5 15.697 -0.616 -3.983
10 H GLU -4 H GLU -4 15.816 -1.756 -6.048
11 HA GLU -4 HA GLU -4 13.844 -3.635 -6.847
12 HB2 GLU -4 HB2 GLU -4 16.324 -4.078 -5.155
13 HB3 GLU -4 HB3 GLU -4 15.402 -5.349 -5.957
14 HG2 GLU -4 HG2 GLU -4 15.838 -4.254 -8.146
15 HG3 GLU -4 HG3 GLU -4 16.822 -3.044 -7.322
16 H PHE -3 H PHE -3 12.408 -4.919 -5.675
17 HA PHE -3 HA PHE -3 12.021 -4.117 -2.829
18 HB2 PHE -3 HB2 PHE -3 10.005 -3.727 -3.978
19 HB3 PHE -3 HB3 PHE -3 10.178 -5.179 -4.963
20 HD1 PHE -3 HD2 PHE -3 10.525 -4.751 -1.250
21 HD2 PHE -3 HD1 PHE -3 8.293 -6.491 -4.484
22 HE1 PHE -3 HE2 PHE -3 9.168 -6.032 0.374
23 HE2 PHE -3 HE1 PHE -3 6.933 -7.771 -2.853
24 HZ PHE -3 HZ PHE -3 7.371 -7.540 -0.424
25 H LYS -2 H LYS -2 12.472 -5.592 -1.266
26 HA LYS -2 HA LYS -2 12.980 -8.401 -2.112
27 HB2 LYS -2 HB2 LYS -2 13.879 -6.873 0.348
28 HB3 LYS -2 HB3 LYS -2 14.242 -8.570 0.034
29 HG2 LYS -2 HG2 LYS -2 15.347 -7.892 -2.103
30 HG3 LYS -2 HG3 LYS -2 15.076 -6.203 -1.669
31 HD2 LYS -2 HD2 LYS -2 16.367 -6.576 0.435
32 HD3 LYS -2 HD3 LYS -2 16.714 -8.220 -0.104
33 HE2 LYS -2 HE2 LYS -2 17.328 -5.993 -1.996
34 HE3 LYS -2 HE3 LYS -2 18.392 -6.199 -0.605
35 HZ1 LYS -2 HZ1 LYS -2 19.345 -7.595 -2.132
36 HZ2 LYS -2 HZ2 LYS -2 17.864 -8.042 -2.832
37 HZ3 LYS -2 HZ3 LYS -2 18.319 -8.675 -1.323
38 H ALA -1 H ALA -1 11.903 -10.100 -1.054
39 HA ALA -1 HA ALA -1 9.436 -9.329 0.342
40 HB1 ALA -1 HB1 ALA -1 9.116 -11.079 -1.224
41 HB2 ALA -1 HB2 ALA -1 9.112 -11.885 0.344
42 HB3 ALA -1 HB3 ALA -1 10.552 -11.943 -0.673
43 H GLY 1 H GLY 1 10.071 -8.627 2.400
44 HA2 GLY 1 HA2 GLY 1 11.957 -10.130 4.026
45 HA3 GLY 1 HA3 GLY 1 10.949 -8.794 4.585
46 H SER 2 H SER 2 9.833 -9.587 6.322
47 HA SER 2 HA SER 2 8.433 -12.213 5.966
48 HB2 SER 2 HB2 SER 2 8.573 -12.492 8.393
49 HB3 SER 2 HB3 SER 2 10.186 -12.232 7.735
50 HG SER 2 HG SER 2 8.945 -9.895 8.320
51 H ALA 3 H ALA 3 6.237 -12.266 6.478
52 HA ALA 3 HA ALA 3 4.812 -9.755 6.390
53 HB1 ALA 3 HB1 ALA 3 4.185 -12.540 6.153
54 HB2 ALA 3 HB2 ALA 3 3.185 -11.154 5.719
55 HB3 ALA 3 HB3 ALA 3 3.103 -11.826 7.348
56 H LYS 4 H LYS 4 5.738 -11.968 8.978
57 HA LYS 4 HA LYS 4 4.075 -10.945 11.040
58 HB2 LYS 4 HB2 LYS 4 6.919 -11.951 11.328
59 HB3 LYS 4 HB3 LYS 4 5.666 -11.947 12.567
60 HG2 LYS 4 HG2 LYS 4 4.302 -13.473 11.179
61 HG3 LYS 4 HG3 LYS 4 5.587 -13.493 9.971
62 HD2 LYS 4 HD2 LYS 4 5.804 -15.470 11.378
63 HD3 LYS 4 HD3 LYS 4 7.150 -14.379 11.710
64 HE2 LYS 4 HE2 LYS 4 4.701 -14.005 13.360
65 HE3 LYS 4 HE3 LYS 4 5.648 -15.460 13.671
66 HZ1 LYS 4 HZ1 LYS 4 7.607 -13.739 13.579
67 HZ2 LYS 4 HZ2 LYS 4 6.723 -13.992 15.008
68 HZ3 LYS 4 HZ3 LYS 4 6.384 -12.650 14.022
69 H LYS 5 H LYS 5 7.409 -10.069 10.162
70 HA LYS 5 HA LYS 5 7.669 -7.948 12.055
71 HB2 LYS 5 HB2 LYS 5 9.008 -8.377 9.370
72 HB3 LYS 5 HB3 LYS 5 9.505 -7.159 10.541
73 HG2 LYS 5 HG2 LYS 5 9.846 -8.962 12.228
74 HG3 LYS 5 HG3 LYS 5 9.449 -10.156 10.992
75 HD2 LYS 5 HD2 LYS 5 11.328 -9.276 9.598
76 HD3 LYS 5 HD3 LYS 5 11.760 -8.194 10.923
77 HE2 LYS 5 HE2 LYS 5 11.465 -11.125 11.484
78 HE3 LYS 5 HE3 LYS 5 12.936 -10.549 10.701
79 HZ1 LYS 5 HZ1 LYS 5 12.344 -8.812 12.803
80 HZ2 LYS 5 HZ2 LYS 5 13.665 -9.871 12.660
81 HZ3 LYS 5 HZ3 LYS 5 12.232 -10.392 13.410
82 H GLY 6 H GLY 6 6.619 -7.930 8.645
83 HA2 GLY 6 HA2 GLY 6 6.212 -5.080 8.533
84 HA3 GLY 6 HA3 GLY 6 5.524 -6.254 7.413
85 H ALA 7 H ALA 7 4.111 -7.817 9.361
86 HA ALA 7 HA ALA 7 1.657 -6.383 9.497
87 HB1 ALA 7 HB1 ALA 7 1.058 -8.207 11.216
88 HB2 ALA 7 HB2 ALA 7 2.676 -8.844 10.921
89 HB3 ALA 7 HB3 ALA 7 1.512 -8.751 9.601
90 H THR 8 H THR 8 4.205 -6.885 11.924
91 HA THR 8 HA THR 8 2.821 -5.572 14.073
92 HB THR 8 HB THR 8 4.966 -5.541 15.171
93 HG1 THR 8 HG1 THR 8 6.790 -6.245 13.707
94 HG21 THR 8 HG21 THR 8 3.938 -7.853 13.849
95 HG22 THR 8 HG22 THR 8 4.835 -7.774 15.365
96 HG23 THR 8 HG23 THR 8 5.698 -7.949 13.838
97 H LEU 9 H LEU 9 5.269 -4.468 11.759
98 HA LEU 9 HA LEU 9 5.347 -1.735 12.621
99 HB2 LEU 9 HB2 LEU 9 6.936 -2.994 11.015
100 HB3 LEU 9 HB3 LEU 9 5.751 -2.613 9.771
101 HG LEU 9 HG LEU 9 5.914 -0.181 10.756
102 HD11 LEU 9 HD11 LEU 9 8.766 -0.808 11.230
103 HD12 LEU 9 HD12 LEU 9 7.658 -1.392 12.473
104 HD13 LEU 9 HD13 LEU 9 7.707 0.324 12.071
105 HD21 LEU 9 HD21 LEU 9 7.654 -1.658 8.848
106 HD22 LEU 9 HD22 LEU 9 8.157 -0.027 9.294
107 HD23 LEU 9 HD23 LEU 9 6.576 -0.293 8.563
108 H PHE 10 H PHE 10 3.432 -3.448 10.204
109 HA PHE 10 HA PHE 10 2.087 -1.213 9.074
110 HB2 PHE 10 HB2 PHE 10 2.091 -3.573 8.188
111 HB3 PHE 10 HB3 PHE 10 0.969 -4.003 9.478
112 HD1 PHE 10 HD2 PHE 10 -1.317 -3.027 9.535
113 HD2 PHE 10 HD1 PHE 10 1.384 -2.289 6.278
114 HE1 PHE 10 HE2 PHE 10 -3.210 -2.226 8.146
115 HE2 PHE 10 HE1 PHE 10 -0.507 -1.491 4.888
116 HZ PHE 10 HZ PHE 10 -2.806 -1.458 5.819
117 H LYS 11 H LYS 11 1.031 -3.407 11.692
118 HA LYS 11 HA LYS 11 -1.391 -2.032 12.289
119 HB2 LYS 11 HB2 LYS 11 -0.806 -4.333 13.075
120 HB3 LYS 11 HB3 LYS 11 0.358 -3.618 14.191
121 HG2 LYS 11 HG2 LYS 11 -1.478 -2.323 15.248
122 HG3 LYS 11 HG3 LYS 11 -2.630 -3.105 14.164
123 HD2 LYS 11 HD2 LYS 11 -1.898 -5.321 15.061
124 HD3 LYS 11 HD3 LYS 11 -0.877 -4.474 16.223
125 HE2 LYS 11 HE2 LYS 11 -2.633 -4.038 17.568
126 HE3 LYS 11 HE3 LYS 11 -3.584 -3.408 16.223
127 HZ1 LYS 11 HZ1 LYS 11 -3.808 -5.890 15.606
128 HZ2 LYS 11 HZ2 LYS 11 -4.774 -5.257 16.853
129 HZ3 LYS 11 HZ3 LYS 11 -3.390 -6.170 17.226
130 H THR 12 H THR 12 1.901 -1.616 13.540
131 HA THR 12 HA THR 12 1.042 0.468 15.414
132 HB THR 12 HB THR 12 3.419 0.647 15.965
133 HG1 THR 12 HG1 THR 12 4.196 -1.363 14.274
134 HG21 THR 12 HG21 THR 12 2.421 -2.184 15.578
135 HG22 THR 12 HG22 THR 12 2.248 -1.182 17.020
136 HG23 THR 12 HG23 THR 12 3.840 -1.768 16.538
137 H ARG 13 H ARG 13 1.775 0.397 12.085
138 HA ARG 13 HA ARG 13 1.897 3.358 12.093
139 HB2 ARG 13 HB2 ARG 13 3.982 1.590 10.787
140 HB3 ARG 13 HB3 ARG 13 3.838 3.327 10.524
141 HG2 ARG 13 HG2 ARG 13 4.094 3.659 13.003
142 HG3 ARG 13 HG3 ARG 13 4.415 1.931 13.150
143 HD2 ARG 13 HD2 ARG 13 6.297 2.215 11.500
144 HD3 ARG 13 HD3 ARG 13 6.040 3.957 11.591
145 HE ARG 13 HE ARG 13 7.382 2.342 13.586
146 HH11 ARG 13 HH21 ARG 13 5.324 5.053 13.039
147 HH12 ARG 13 HH22 ARG 13 5.811 5.882 14.480
148 HH21 ARG 13 HH11 ARG 13 8.029 3.408 15.470
149 HH22 ARG 13 HH12 ARG 13 7.342 4.950 15.856
150 H CYS 14 H CYS 14 -0.291 1.811 11.242
151 HA CYS 14 HA CYS 14 -0.598 2.775 8.549
152 HB2 CYS 14 HB2 CYS 14 0.914 0.615 8.443
153 HB3 CYS 14 HB3 CYS 14 -0.621 -0.217 8.624
154 H LEU 15 H LEU 15 -2.065 2.804 11.046
155 HA LEU 15 HA LEU 15 -4.495 1.226 10.314
156 HB2 LEU 15 HB2 LEU 15 -3.790 2.536 12.958
157 HB3 LEU 15 HB3 LEU 15 -5.183 1.499 12.645
158 HG LEU 15 HG LEU 15 -2.274 0.672 12.427
159 HD11 LEU 15 HD11 LEU 15 -2.957 -0.856 14.324
160 HD12 LEU 15 HD12 LEU 15 -4.455 0.065 14.438
161 HD13 LEU 15 HD13 LEU 15 -2.909 0.855 14.743
162 HD21 LEU 15 HD21 LEU 15 -3.274 -0.731 10.888
163 HD22 LEU 15 HD22 LEU 15 -4.864 -0.593 11.641
164 HD23 LEU 15 HD23 LEU 15 -3.636 -1.634 12.360
165 H GLN 16 H GLN 16 -6.133 2.948 12.065
166 HA GLN 16 HA GLN 16 -7.667 4.677 11.582
167 HB2 GLN 16 HB2 GLN 16 -6.619 6.891 11.714
168 HB3 GLN 16 HB3 GLN 16 -5.892 5.799 12.888
169 HG2 GLN 16 HG2 GLN 16 -3.945 5.480 11.512
170 HG3 GLN 16 HG3 GLN 16 -4.697 6.306 10.145
171 HE21 GLN 16 HE21 GLN 16 -2.270 7.329 10.972
172 HE22 GLN 16 HE22 GLN 16 -2.490 8.790 11.810
173 H CYS 17 H CYS 17 -6.430 3.231 9.156
174 HA CYS 17 HA CYS 17 -7.601 5.057 7.177
175 HB2 CYS 17 HB2 CYS 17 -4.686 4.239 7.009
176 HB3 CYS 17 HB3 CYS 17 -5.593 5.044 5.729
177 H HIS 18 H HIS 18 -5.230 2.418 6.861
178 HA HIS 18 HA HIS 18 -7.113 1.011 5.079
179 HB2 HIS 18 HB2 HIS 18 -4.275 0.363 5.944
180 HB3 HIS 18 HB3 HIS 18 -5.208 -0.597 4.799
181 HD1 HIS 18 HD1 HIS 18 -6.011 0.718 2.580
182 HD2 HIS 18 HD2 HIS 18 -3.014 2.584 4.804
183 HE1 HIS 18 HE1 HIS 18 -4.969 2.463 1.063
184 H THR 19 H THR 19 -8.697 -0.052 6.161
185 HA THR 19 HA THR 19 -8.573 -1.007 8.822
186 HB THR 19 HB THR 19 -10.274 -2.111 6.568
187 HG1 THR 19 HG1 THR 19 -11.665 -0.446 7.927
188 HG21 THR 19 HG21 THR 19 -11.761 -2.072 8.886
189 HG22 THR 19 HG22 THR 19 -10.157 -2.510 9.475
190 HG23 THR 19 HG23 THR 19 -10.937 -3.488 8.233
191 H VAL 20 H VAL 20 -7.919 -2.702 5.760
192 HA VAL 20 HA VAL 20 -7.089 -4.887 5.407
193 HB VAL 20 HB VAL 20 -5.271 -4.132 7.686
194 HG11 VAL 20 HG11 VAL 20 -5.353 -6.290 5.880
195 HG12 VAL 20 HG12 VAL 20 -4.028 -5.861 6.959
196 HG13 VAL 20 HG13 VAL 20 -4.057 -5.239 5.309
197 HG21 VAL 20 HG21 VAL 20 -4.089 -3.281 5.317
198 HG22 VAL 20 HG22 VAL 20 -4.827 -2.238 6.535
199 HG23 VAL 20 HG23 VAL 20 -5.770 -2.782 5.150
200 H GLU 21 H GLU 21 -9.269 -4.707 7.448
201 HA GLU 21 HA GLU 21 -8.483 -6.721 9.456
202 HB2 GLU 21 HB2 GLU 21 -10.063 -4.746 9.897
203 HB3 GLU 21 HB3 GLU 21 -11.268 -5.637 8.969
204 HG2 GLU 21 HG2 GLU 21 -10.999 -7.560 10.538
205 HG3 GLU 21 HG3 GLU 21 -9.862 -6.600 11.478
206 H LYS 22 H LYS 22 -8.592 -7.267 6.483
207 HA LYS 22 HA LYS 22 -9.075 -9.171 5.220
208 HB2 LYS 22 HB2 LYS 22 -9.188 -10.067 7.813
209 HB3 LYS 22 HB3 LYS 22 -10.802 -10.464 7.231
210 HG2 LYS 22 HG2 LYS 22 -9.573 -12.349 6.619
211 HG3 LYS 22 HG3 LYS 22 -9.540 -11.398 5.139
212 HD2 LYS 22 HD2 LYS 22 -7.340 -10.416 5.959
213 HD3 LYS 22 HD3 LYS 22 -7.364 -11.637 7.230
214 HE2 LYS 22 HE2 LYS 22 -7.596 -12.324 4.296
215 HE3 LYS 22 HE3 LYS 22 -6.053 -12.267 5.147
216 HZ1 LYS 22 HZ1 LYS 22 -6.480 -14.359 5.717
217 HZ2 LYS 22 HZ2 LYS 22 -8.103 -14.263 5.223
218 HZ3 LYS 22 HZ3 LYS 22 -7.652 -13.745 6.778
219 H GLY 23 H GLY 23 -10.468 -7.225 4.354
220 HA2 GLY 23 HA2 GLY 23 -12.439 -6.903 3.069
221 HA3 GLY 23 HA3 GLY 23 -13.139 -8.325 3.842
222 H GLY 24 H GLY 24 -11.721 -5.738 5.739
223 HA2 GLY 24 HA2 GLY 24 -14.322 -5.328 7.052
224 HA3 GLY 24 HA3 GLY 24 -12.789 -4.610 7.546
225 HA PRO 25 HA PRO 25 -15.726 -1.609 5.190
226 HB2 PRO 25 HB2 PRO 25 -15.548 0.234 7.321
227 HB3 PRO 25 HB3 PRO 25 -16.939 -0.791 6.930
228 HG2 PRO 25 HG2 PRO 25 -14.842 -1.155 8.979
229 HG3 PRO 25 HG3 PRO 25 -16.536 -1.672 8.984
230 HD2 PRO 25 HD2 PRO 25 -14.495 -3.422 8.597
231 HD3 PRO 25 HD3 PRO 25 -16.084 -3.634 7.825
232 H HIS 26 H HIS 26 -15.023 0.518 4.385
233 HA HIS 26 HA HIS 26 -12.065 0.787 4.506
234 HB2 HIS 26 HB2 HIS 26 -13.997 2.243 2.682
235 HB3 HIS 26 HB3 HIS 26 -12.249 2.108 2.504
236 HD1 HIS 26 HD1 HIS 26 -11.304 -0.091 1.547
237 HD2 HIS 26 HD2 HIS 26 -15.451 -0.129 1.983
238 HE1 HIS 26 HE1 HIS 26 -12.140 -2.132 0.298
239 HE2 HIS 26 HE2 HIS 26 -14.662 -2.166 0.560
240 H LYS 27 H LYS 27 -11.086 2.620 5.316
241 HA LYS 27 HA LYS 27 -12.887 4.621 6.606
242 HB2 LYS 27 HB2 LYS 27 -9.968 3.967 7.136
243 HB3 LYS 27 HB3 LYS 27 -10.914 5.178 8.004
244 HG2 LYS 27 HG2 LYS 27 -12.511 3.385 8.688
245 HG3 LYS 27 HG3 LYS 27 -11.457 2.197 7.919
246 HD2 LYS 27 HD2 LYS 27 -9.590 2.966 9.396
247 HD3 LYS 27 HD3 LYS 27 -10.729 4.028 10.223
248 HE2 LYS 27 HE2 LYS 27 -12.089 1.669 10.308
249 HE3 LYS 27 HE3 LYS 27 -10.425 1.091 10.395
250 HZ1 LYS 27 HZ1 LYS 27 -10.139 1.966 12.420
251 HZ2 LYS 27 HZ2 LYS 27 -11.837 1.971 12.496
252 HZ3 LYS 27 HZ3 LYS 27 -10.998 3.383 12.057
253 H VAL 28 H VAL 28 -10.097 6.155 6.691
254 HA VAL 28 HA VAL 28 -10.710 7.982 4.584
255 HB VAL 28 HB VAL 28 -8.097 7.479 6.044
256 HG11 VAL 28 HG11 VAL 28 -7.244 8.788 4.394
257 HG12 VAL 28 HG12 VAL 28 -8.083 10.100 5.222
258 HG13 VAL 28 HG13 VAL 28 -8.841 9.296 3.847
259 HG21 VAL 28 HG21 VAL 28 -10.148 9.676 6.427
260 HG22 VAL 28 HG22 VAL 28 -8.761 9.315 7.455
261 HG23 VAL 28 HG23 VAL 28 -10.124 8.198 7.388
262 H GLY 29 H GLY 29 -8.548 5.185 4.761
263 HA2 GLY 29 HA2 GLY 29 -8.020 5.500 1.833
264 HA3 GLY 29 HA3 GLY 29 -6.909 4.708 2.952
265 HA PRO 30 HA PRO 30 -10.135 1.782 0.863
266 HB2 PRO 30 HB2 PRO 30 -8.221 0.442 -0.668
267 HB3 PRO 30 HB3 PRO 30 -9.341 1.677 -1.265
268 HG2 PRO 30 HG2 PRO 30 -6.484 1.907 -0.542
269 HG3 PRO 30 HG3 PRO 30 -7.418 2.776 -1.769
270 HD2 PRO 30 HD2 PRO 30 -6.677 3.914 0.601
271 HD3 PRO 30 HD3 PRO 30 -8.154 4.378 -0.272
272 H ASN 31 H ASN 31 -10.208 -0.548 1.228
273 HA ASN 31 HA ASN 31 -9.147 -1.408 3.691
274 HB2 ASN 31 HB2 ASN 31 -11.055 -2.464 2.399
275 HB3 ASN 31 HB3 ASN 31 -9.839 -3.259 1.399
276 HD21 ASN 31 HD21 ASN 31 -11.291 -5.092 2.674
277 HD22 ASN 31 HD22 ASN 31 -10.529 -5.692 4.067
278 H LEU 32 H LEU 32 -7.728 -1.563 0.476
279 HA LEU 32 HA LEU 32 -5.520 -2.057 -0.156
280 HB2 LEU 32 HB2 LEU 32 -5.101 -0.911 2.170
281 HB3 LEU 32 HB3 LEU 32 -4.801 -2.554 2.725
282 HG LEU 32 HG LEU 32 -3.104 -2.830 0.923
283 HD11 LEU 32 HD11 LEU 32 -3.317 -1.361 -0.806
284 HD12 LEU 32 HD12 LEU 32 -2.460 -0.223 0.235
285 HD13 LEU 32 HD13 LEU 32 -4.221 -0.209 0.179
286 HD21 LEU 32 HD21 LEU 32 -2.968 -0.970 3.197
287 HD22 LEU 32 HD22 LEU 32 -1.741 -0.655 1.970
288 HD23 LEU 32 HD23 LEU 32 -1.848 -2.246 2.725
289 H HIS 33 H HIS 33 -7.713 -4.090 0.927
290 HA HIS 33 HA HIS 33 -5.938 -6.462 1.167
291 HB2 HIS 33 HB2 HIS 33 -8.361 -5.748 2.393
292 HB3 HIS 33 HB3 HIS 33 -8.781 -7.034 1.259
293 HD1 HIS 33 HD1 HIS 33 -6.061 -6.362 3.862
294 HD2 HIS 33 HD2 HIS 33 -8.263 -9.536 2.290
295 HE1 HIS 33 HE1 HIS 33 -5.346 -8.431 5.138
296 HE2 HIS 33 HE2 HIS 33 -6.698 -10.366 4.205
297 H GLY 34 H GLY 34 -7.358 -4.727 -1.260
298 HA2 GLY 34 HA2 GLY 34 -7.163 -7.014 -3.098
299 HA3 GLY 34 HA3 GLY 34 -8.768 -6.296 -2.971
300 H ILE 35 H ILE 35 -6.037 -4.175 -2.577
301 HA ILE 35 HA ILE 35 -6.875 -2.504 -4.737
302 HB ILE 35 HB ILE 35 -5.431 -1.792 -2.769
303 HG12 ILE 35 HG12 ILE 35 -4.373 -1.110 -5.524
304 HG13 ILE 35 HG13 ILE 35 -5.842 -0.429 -4.827
305 HG21 ILE 35 HG21 ILE 35 -3.212 -2.937 -4.495
306 HG22 ILE 35 HG22 ILE 35 -3.766 -3.648 -2.978
307 HG23 ILE 35 HG23 ILE 35 -3.016 -2.047 -2.984
308 HD11 ILE 35 HD11 ILE 35 -3.819 1.022 -4.540
309 HD12 ILE 35 HD12 ILE 35 -3.118 -0.240 -3.526
310 HD13 ILE 35 HD13 ILE 35 -4.596 0.580 -3.020
311 H PHE 36 H PHE 36 -4.972 -5.378 -4.697
312 HA PHE 36 HA PHE 36 -3.721 -4.781 -7.304
313 HB2 PHE 36 HB2 PHE 36 -3.657 -7.253 -5.553
314 HB3 PHE 36 HB3 PHE 36 -2.748 -7.066 -7.052
315 HD1 PHE 36 HD2 PHE 36 -0.896 -5.468 -7.219
316 HD2 PHE 36 HD1 PHE 36 -3.053 -6.008 -3.542
317 HE1 PHE 36 HE2 PHE 36 0.893 -4.268 -5.991
318 HE2 PHE 36 HE1 PHE 36 -1.264 -4.807 -2.317
319 HZ PHE 36 HZ PHE 36 0.710 -3.939 -3.541
320 H GLY 37 H GLY 37 -4.547 -5.441 -9.224
321 HA2 GLY 37 HA2 GLY 37 -6.025 -7.756 -9.788
322 HA3 GLY 37 HA3 GLY 37 -7.215 -6.514 -9.383
323 H ARG 38 H ARG 38 -7.980 -6.437 -11.598
324 HA ARG 38 HA ARG 38 -6.283 -6.030 -13.849
325 HB2 ARG 38 HB2 ARG 38 -8.356 -5.022 -14.907
326 HB3 ARG 38 HB3 ARG 38 -8.573 -6.635 -14.237
327 HG2 ARG 38 HG2 ARG 38 -9.530 -5.665 -12.184
328 HG3 ARG 38 HG3 ARG 38 -9.317 -4.044 -12.842
329 HD2 ARG 38 HD2 ARG 38 -10.794 -4.618 -14.735
330 HD3 ARG 38 HD3 ARG 38 -11.024 -6.229 -14.061
331 HE ARG 38 HE ARG 38 -12.505 -5.295 -12.467
332 HH11 ARG 38 HH21 ARG 38 -10.610 -2.906 -14.077
333 HH12 ARG 38 HH22 ARG 38 -11.480 -1.569 -13.401
334 HH21 ARG 38 HH11 ARG 38 -13.650 -3.563 -11.574
335 HH22 ARG 38 HH12 ARG 38 -13.201 -1.941 -11.986
336 H HIS 39 H HIS 39 -8.224 -3.397 -14.164
337 HA HIS 39 HA HIS 39 -6.049 -1.531 -14.053
338 HB2 HIS 39 HB2 HIS 39 -8.797 -0.457 -13.748
339 HB3 HIS 39 HB3 HIS 39 -7.544 -0.024 -14.909
340 HD1 HIS 39 HD1 HIS 39 -10.584 -0.701 -15.631
341 HD2 HIS 39 HD2 HIS 39 -7.345 -3.297 -16.036
342 HE1 HIS 39 HE1 HIS 39 -11.251 -2.417 -17.374
343 HE2 HIS 39 HE2 HIS 39 -9.285 -3.998 -17.630
344 H SER 40 H SER 40 -5.761 0.244 -12.554
345 HA SER 40 HA SER 40 -5.942 -0.556 -9.835
346 HB2 SER 40 HB2 SER 40 -5.133 1.688 -9.323
347 HB3 SER 40 HB3 SER 40 -4.267 1.056 -10.717
348 HG SER 40 HG SER 40 -6.127 3.109 -10.517
349 H GLY 41 H GLY 41 -7.078 0.678 -8.102
350 HA2 GLY 41 HA2 GLY 41 -9.008 1.608 -7.149
351 HA3 GLY 41 HA3 GLY 41 -9.411 2.262 -8.736
352 H GLN 42 H GLN 42 -9.821 -0.468 -6.572
353 HA GLN 42 HA GLN 42 -12.028 -1.425 -8.344
354 HB2 GLN 42 HB2 GLN 42 -9.983 -3.170 -6.941
355 HB3 GLN 42 HB3 GLN 42 -11.390 -3.761 -7.827
356 HG2 GLN 42 HG2 GLN 42 -10.154 -3.715 -9.706
357 HG3 GLN 42 HG3 GLN 42 -10.093 -1.959 -9.566
358 HE21 GLN 42 HE21 GLN 42 -8.048 -1.062 -9.242
359 HE22 GLN 42 HE22 GLN 42 -6.679 -1.933 -8.743
360 H ALA 43 H ALA 43 -11.172 -0.304 -5.324
361 HA ALA 43 HA ALA 43 -12.730 -2.044 -3.631
362 HB1 ALA 43 HB1 ALA 43 -10.950 -0.219 -3.007
363 HB2 ALA 43 HB2 ALA 43 -12.311 -0.502 -1.922
364 HB3 ALA 43 HB3 ALA 43 -12.333 0.874 -3.024
365 H GLU 44 H GLU 44 -14.921 -2.149 -3.422
366 HA GLU 44 HA GLU 44 -16.604 -0.387 -5.030
367 HB2 GLU 44 HB2 GLU 44 -17.303 -2.568 -3.042
368 HB3 GLU 44 HB3 GLU 44 -18.467 -1.746 -4.082
369 HG2 GLU 44 HG2 GLU 44 -17.196 -2.510 -6.075
370 HG3 GLU 44 HG3 GLU 44 -16.091 -3.385 -5.014
371 H GLY 45 H GLY 45 -16.392 -1.072 -1.511
372 HA2 GLY 45 HA2 GLY 45 -18.192 0.991 -0.717
373 HA3 GLY 45 HA3 GLY 45 -16.949 0.292 0.320
374 H TYR 46 H TYR 46 -14.699 1.000 -1.277
375 HA TYR 46 HA TYR 46 -14.659 3.939 -0.780
376 HB2 TYR 46 HB2 TYR 46 -12.946 2.778 0.455
377 HB3 TYR 46 HB3 TYR 46 -12.441 1.881 -0.976
378 HD1 TYR 46 HD1 TYR 46 -12.426 5.180 0.695
379 HD2 TYR 46 HD2 TYR 46 -11.133 2.914 -2.714
380 HE1 TYR 46 HE1 TYR 46 -10.858 6.999 0.079
381 HE2 TYR 46 HE2 TYR 46 -9.564 4.728 -3.334
382 HH TYR 46 HH TYR 46 -9.399 7.739 -1.425
383 H SER 47 H SER 47 -14.179 5.348 -2.451
384 HA SER 47 HA SER 47 -13.880 4.112 -5.160
385 HB2 SER 47 HB2 SER 47 -15.977 5.406 -4.786
386 HB3 SER 47 HB3 SER 47 -15.006 6.832 -4.430
387 HG SER 47 HG SER 47 -15.672 5.722 -6.819
388 H TYR 48 H TYR 48 -12.306 4.957 -6.555
389 HA TYR 48 HA TYR 48 -10.218 6.611 -5.220
390 HB2 TYR 48 HB2 TYR 48 -10.095 4.945 -7.754
391 HB3 TYR 48 HB3 TYR 48 -8.743 5.826 -7.045
392 HD1 TYR 48 HD2 TYR 48 -11.321 3.252 -6.174
393 HD2 TYR 48 HD1 TYR 48 -7.365 4.774 -5.481
394 HE1 TYR 48 HE2 TYR 48 -10.841 1.329 -4.686
395 HE2 TYR 48 HE1 TYR 48 -6.886 2.851 -3.991
396 HH TYR 48 HH TYR 48 -8.206 0.186 -3.950
397 H THR 49 H THR 49 -9.122 8.241 -6.675
398 HA THR 49 HA THR 49 -11.109 9.971 -7.876
399 HB THR 49 HB THR 49 -9.454 11.544 -7.857
400 HG1 THR 49 HG1 THR 49 -7.692 9.516 -8.767
401 HG21 THR 49 HG21 THR 49 -9.180 10.030 -5.741
402 HG22 THR 49 HG22 THR 49 -7.927 11.215 -6.112
403 HG23 THR 49 HG23 THR 49 -7.682 9.517 -6.521
404 H ASP 50 H ASP 50 -10.975 10.710 -10.162
405 HA ASP 50 HA ASP 50 -11.102 8.570 -12.014
406 HB2 ASP 50 HB2 ASP 50 -10.619 11.530 -12.460
407 HB3 ASP 50 HB3 ASP 50 -10.946 10.384 -13.760
408 H ALA 51 H ALA 51 -8.405 10.535 -10.940
409 HA ALA 51 HA ALA 51 -6.561 10.025 -13.017
410 HB1 ALA 51 HB1 ALA 51 -6.054 11.632 -11.281
411 HB2 ALA 51 HB2 ALA 51 -4.812 10.380 -11.248
412 HB3 ALA 51 HB3 ALA 51 -6.103 10.376 -10.044
413 H ASN 52 H ASN 52 -6.907 8.167 -9.951
414 HA ASN 52 HA ASN 52 -5.038 6.137 -10.681
415 HB2 ASN 52 HB2 ASN 52 -5.982 6.480 -8.381
416 HB3 ASN 52 HB3 ASN 52 -7.491 5.762 -8.947
417 HD21 ASN 52 HD21 ASN 52 -7.149 3.926 -7.433
418 HD22 ASN 52 HD22 ASN 52 -6.024 2.713 -7.807
419 H ILE 53 H ILE 53 -8.575 6.268 -11.115
420 HA ILE 53 HA ILE 53 -8.763 3.674 -12.349
421 HB ILE 53 HB ILE 53 -10.624 6.055 -12.565
422 HG12 ILE 53 HG12 ILE 53 -10.695 3.647 -10.720
423 HG13 ILE 53 HG13 ILE 53 -10.165 5.258 -10.238
424 HG21 ILE 53 HG21 ILE 53 -11.999 3.592 -12.721
425 HG22 ILE 53 HG22 ILE 53 -10.621 3.448 -13.813
426 HG23 ILE 53 HG23 ILE 53 -11.772 4.769 -14.014
427 HD11 ILE 53 HD11 ILE 53 -12.693 5.489 -11.573
428 HD12 ILE 53 HD12 ILE 53 -12.297 5.882 -9.900
429 HD13 ILE 53 HD13 ILE 53 -12.827 4.254 -10.321
430 H LYS 54 H LYS 54 -8.888 6.948 -13.819
431 HA LYS 54 HA LYS 54 -8.966 6.029 -16.504
432 HB2 LYS 54 HB2 LYS 54 -7.930 8.615 -15.325
433 HB3 LYS 54 HB3 LYS 54 -8.112 8.332 -17.054
434 HG2 LYS 54 HG2 LYS 54 -10.526 7.781 -16.654
435 HG3 LYS 54 HG3 LYS 54 -10.308 8.257 -14.970
436 HD2 LYS 54 HD2 LYS 54 -9.599 10.512 -15.707
437 HD3 LYS 54 HD3 LYS 54 -9.860 10.036 -17.386
438 HE2 LYS 54 HE2 LYS 54 -12.139 10.131 -17.201
439 HE3 LYS 54 HE3 LYS 54 -12.131 9.561 -15.533
440 HZ1 LYS 54 HZ1 LYS 54 -10.873 11.995 -15.460
441 HZ2 LYS 54 HZ2 LYS 54 -12.461 11.662 -14.954
442 HZ3 LYS 54 HZ3 LYS 54 -12.169 12.229 -16.529
443 H LYS 55 H LYS 55 -6.240 6.557 -14.335
444 HA LYS 55 HA LYS 55 -4.158 6.536 -16.256
445 HB2 LYS 55 HB2 LYS 55 -3.851 7.026 -13.822
446 HB3 LYS 55 HB3 LYS 55 -4.091 5.314 -13.479
447 HG2 LYS 55 HG2 LYS 55 -1.747 5.527 -13.566
448 HG3 LYS 55 HG3 LYS 55 -2.155 4.924 -15.171
449 HD2 LYS 55 HD2 LYS 55 -1.994 7.140 -16.121
450 HD3 LYS 55 HD3 LYS 55 -1.833 7.866 -14.523
451 HE2 LYS 55 HE2 LYS 55 0.395 7.593 -14.632
452 HE3 LYS 55 HE3 LYS 55 0.171 5.850 -14.768
453 HZ1 LYS 55 HZ1 LYS 55 -0.230 7.545 -17.134
454 HZ2 LYS 55 HZ2 LYS 55 0.254 5.919 -17.042
455 HZ3 LYS 55 HZ3 LYS 55 1.350 7.158 -16.653
456 H ASN 56 H ASN 56 -5.948 3.870 -14.759
457 HA ASN 56 HA ASN 56 -5.945 1.575 -15.249
458 HB2 ASN 56 HB2 ASN 56 -6.754 2.488 -17.429
459 HB3 ASN 56 HB3 ASN 56 -5.081 2.576 -17.981
460 HD21 ASN 56 HD21 ASN 56 -7.465 0.186 -16.700
461 HD22 ASN 56 HD22 ASN 56 -6.830 -1.127 -17.566
462 H VAL 57 H VAL 57 -3.565 2.651 -14.103
463 HA VAL 57 HA VAL 57 -1.218 1.717 -15.500
464 HB VAL 57 HB VAL 57 -0.794 3.361 -13.874
465 HG11 VAL 57 HG11 VAL 57 -2.484 3.616 -12.373
466 HG12 VAL 57 HG12 VAL 57 -1.582 2.464 -11.388
467 HG13 VAL 57 HG13 VAL 57 -2.896 1.901 -12.421
468 HG21 VAL 57 HG21 VAL 57 0.589 1.115 -13.768
469 HG22 VAL 57 HG22 VAL 57 -0.190 0.948 -12.195
470 HG23 VAL 57 HG23 VAL 57 0.826 2.350 -12.532
471 H LEU 58 H LEU 58 -3.499 0.228 -13.286
472 HA LEU 58 HA LEU 58 -3.757 -2.051 -12.754
473 HB2 LEU 58 HB2 LEU 58 -2.662 -2.232 -15.181
474 HB3 LEU 58 HB3 LEU 58 -1.271 -2.791 -14.254
475 HG LEU 58 HG LEU 58 -4.048 -3.994 -14.297
476 HD11 LEU 58 HD11 LEU 58 -2.583 -4.670 -16.131
477 HD12 LEU 58 HD12 LEU 58 -2.741 -6.007 -14.991
478 HD13 LEU 58 HD13 LEU 58 -1.280 -5.016 -14.994
479 HD21 LEU 58 HD21 LEU 58 -2.943 -5.676 -12.695
480 HD22 LEU 58 HD22 LEU 58 -3.383 -4.119 -12.001
481 HD23 LEU 58 HD23 LEU 58 -1.708 -4.448 -12.434
482 H TRP 59 H TRP 59 -3.208 -1.929 -10.564
483 HA TRP 59 HA TRP 59 -0.543 -1.412 -9.625
484 HB2 TRP 59 HB2 TRP 59 -3.023 -2.524 -8.317
485 HB3 TRP 59 HB3 TRP 59 -1.504 -2.391 -7.437
486 HD1 TRP 59 HD1 TRP 59 -4.491 -0.485 -8.201
487 HE1 TRP 59 HE1 TRP 59 -4.161 2.036 -7.732
488 HE3 TRP 59 HE3 TRP 59 0.574 -0.368 -7.713
489 HZ2 TRP 59 HZ2 TRP 59 -2.013 3.843 -7.206
490 HZ3 TRP 59 HZ3 TRP 59 1.742 1.757 -7.226
491 HH2 TRP 59 HH2 TRP 59 0.460 3.865 -6.971
492 H ASP 60 H ASP 60 1.117 -2.763 -9.220
493 HA ASP 60 HA ASP 60 0.673 -5.694 -9.153
494 HB2 ASP 60 HB2 ASP 60 2.586 -4.264 -11.022
495 HB3 ASP 60 HB3 ASP 60 2.657 -5.993 -10.684
496 H GLU 61 H GLU 61 2.910 -6.748 -8.536
497 HA GLU 61 HA GLU 61 3.748 -5.610 -6.057
498 HB2 GLU 61 HB2 GLU 61 5.163 -7.622 -7.832
499 HB3 GLU 61 HB3 GLU 61 5.578 -7.288 -6.151
500 HG2 GLU 61 HG2 GLU 61 3.288 -7.952 -5.469
501 HG3 GLU 61 HG3 GLU 61 2.915 -8.338 -7.150
502 H ASN 62 H ASN 62 5.147 -5.455 -9.312
503 HA ASN 62 HA ASN 62 7.538 -4.052 -8.529
504 HB2 ASN 62 HB2 ASN 62 6.078 -4.194 -11.180
505 HB3 ASN 62 HB3 ASN 62 7.671 -3.473 -10.963
506 HD21 ASN 62 HD21 ASN 62 7.274 -5.769 -12.649
507 HD22 ASN 62 HD22 ASN 62 8.068 -7.091 -11.940
508 H ASN 63 H ASN 63 4.372 -2.972 -9.712
509 HA ASN 63 HA ASN 63 4.947 -0.204 -9.928
510 HB2 ASN 63 HB2 ASN 63 2.362 -1.578 -9.141
511 HB3 ASN 63 HB3 ASN 63 2.492 0.120 -9.596
512 HD21 ASN 63 HD21 ASN 63 0.956 -1.914 -11.093
513 HD22 ASN 63 HD22 ASN 63 1.664 -2.013 -12.630
514 H MET 64 H MET 64 4.071 -2.161 -7.109
515 HA MET 64 HA MET 64 3.592 -0.032 -5.286
516 HB2 MET 64 HB2 MET 64 4.045 -2.899 -5.146
517 HB3 MET 64 HB3 MET 64 4.826 -2.063 -3.803
518 HG2 MET 64 HG2 MET 64 2.539 -2.613 -3.168
519 HG3 MET 64 HG3 MET 64 2.679 -0.866 -3.356
520 HE1 MET 64 HE1 MET 64 -0.011 -0.171 -4.127
521 HE2 MET 64 HE2 MET 64 0.248 -1.533 -3.037
522 HE3 MET 64 HE3 MET 64 -0.885 -1.689 -4.377
523 H SER 65 H SER 65 6.628 -1.616 -6.260
524 HA SER 65 HA SER 65 8.315 -0.351 -4.346
525 HB2 SER 65 HB2 SER 65 9.028 -1.093 -7.196
526 HB3 SER 65 HB3 SER 65 10.151 -0.880 -5.856
527 HG SER 65 HG SER 65 8.291 -2.926 -6.352
528 H GLU 66 H GLU 66 7.271 0.689 -7.579
529 HA GLU 66 HA GLU 66 8.801 3.130 -7.575
530 HB2 GLU 66 HB2 GLU 66 6.305 2.330 -9.099
531 HB3 GLU 66 HB3 GLU 66 7.249 3.783 -9.424
532 HG2 GLU 66 HG2 GLU 66 9.249 2.374 -9.843
533 HG3 GLU 66 HG3 GLU 66 8.267 0.932 -9.576
534 H TYR 67 H TYR 67 5.607 2.236 -6.418
535 HA TYR 67 HA TYR 67 4.508 4.820 -6.048
536 HB2 TYR 67 HB2 TYR 67 3.103 2.897 -5.832
537 HB3 TYR 67 HB3 TYR 67 4.111 2.218 -4.560
538 HD1 TYR 67 HD1 TYR 67 2.632 5.642 -5.111
539 HD2 TYR 67 HD2 TYR 67 2.965 2.204 -2.558
540 HE1 TYR 67 HE1 TYR 67 1.257 6.782 -3.390
541 HE2 TYR 67 HE2 TYR 67 1.591 3.341 -0.844
542 HH TYR 67 HH TYR 67 0.696 6.719 -1.152
543 H LEU 68 H LEU 68 6.416 2.837 -3.752
544 HA LEU 68 HA LEU 68 6.385 4.899 -1.720
545 HB2 LEU 68 HB2 LEU 68 7.789 2.291 -2.115
546 HB3 LEU 68 HB3 LEU 68 8.458 3.422 -0.937
547 HG LEU 68 HG LEU 68 6.381 3.509 0.274
548 HD11 LEU 68 HD11 LEU 68 5.333 2.131 -2.173
549 HD12 LEU 68 HD12 LEU 68 4.650 3.486 -1.274
550 HD13 LEU 68 HD13 LEU 68 4.536 1.851 -0.626
551 HD21 LEU 68 HD21 LEU 68 7.912 1.194 -0.001
552 HD22 LEU 68 HD22 LEU 68 6.248 0.623 -0.131
553 HD23 LEU 68 HD23 LEU 68 6.760 1.528 1.293
554 H THR 69 H THR 69 8.714 3.934 -4.216
555 HA THR 69 HA THR 69 10.739 5.818 -3.375
556 HB THR 69 HB THR 69 11.830 5.302 -5.484
557 HG1 THR 69 HG1 THR 69 9.885 5.430 -6.736
558 HG21 THR 69 HG21 THR 69 10.995 2.622 -5.304
559 HG22 THR 69 HG22 THR 69 10.790 3.289 -3.685
560 HG23 THR 69 HG23 THR 69 12.364 3.364 -4.475
561 H ASN 70 H ASN 70 8.160 5.931 -5.837
562 HA ASN 70 HA ASN 70 8.433 8.896 -5.814
563 HB2 ASN 70 HB2 ASN 70 8.294 7.164 -8.300
564 HB3 ASN 70 HB3 ASN 70 8.157 8.922 -8.294
565 HD21 ASN 70 HD21 ASN 70 10.297 7.532 -9.658
566 HD22 ASN 70 HD22 ASN 70 11.753 7.933 -8.880
567 H HIS 71 H HIS 71 6.454 9.797 -5.476
568 HA HIS 71 HA HIS 71 4.058 8.519 -6.642
569 HB2 HIS 71 HB2 HIS 71 2.937 8.873 -4.311
570 HB3 HIS 71 HB3 HIS 71 3.934 7.440 -4.562
571 HD1 HIS 71 HD1 HIS 71 3.459 9.966 -2.138
572 HD2 HIS 71 HD2 HIS 71 6.859 8.231 -3.823
573 HE1 HIS 71 HE1 HIS 71 5.370 10.432 -0.539
574 HE2 HIS 71 HE2 HIS 71 7.444 9.381 -1.555
575 H ALA 72 H ALA 72 2.761 10.104 -7.452
576 HA ALA 72 HA ALA 72 1.947 12.468 -6.235
577 HB1 ALA 72 HB1 ALA 72 4.010 13.504 -6.060
578 HB2 ALA 72 HB2 ALA 72 3.544 14.049 -7.669
579 HB3 ALA 72 HB3 ALA 72 4.657 12.693 -7.486
580 H LYS 73 H LYS 73 3.341 13.243 -9.288
581 HA LYS 73 HA LYS 73 0.837 13.630 -10.561
582 HB2 LYS 73 HB2 LYS 73 3.563 13.116 -11.787
583 HB3 LYS 73 HB3 LYS 73 2.160 13.708 -12.677
584 HG2 LYS 73 HG2 LYS 73 2.041 15.655 -11.118
585 HG3 LYS 73 HG3 LYS 73 3.521 15.087 -10.345
586 HD2 LYS 73 HD2 LYS 73 4.674 15.217 -12.561
587 HD3 LYS 73 HD3 LYS 73 3.206 15.917 -13.244
588 HE2 LYS 73 HE2 LYS 73 4.333 17.859 -12.691
589 HE3 LYS 73 HE3 LYS 73 3.468 17.581 -11.180
590 HZ1 LYS 73 HZ1 LYS 73 6.234 17.667 -11.604
591 HZ2 LYS 73 HZ2 LYS 73 5.831 16.089 -11.120
592 HZ3 LYS 73 HZ3 LYS 73 5.401 17.416 -10.148
593 H TYR 74 H TYR 74 2.919 10.803 -10.385
594 HA TYR 74 HA TYR 74 1.801 9.224 -12.441
595 HB2 TYR 74 HB2 TYR 74 3.685 8.284 -11.461
596 HB3 TYR 74 HB3 TYR 74 3.139 8.638 -9.824
597 HD1 TYR 74 HD1 TYR 74 1.366 6.941 -12.653
598 HD2 TYR 74 HD2 TYR 74 3.020 6.599 -8.709
599 HE1 TYR 74 HE1 TYR 74 0.427 4.654 -12.455
600 HE2 TYR 74 HE2 TYR 74 2.086 4.312 -8.510
601 HH TYR 74 HH TYR 74 0.867 2.737 -9.476
602 H ILE 75 H ILE 75 0.715 9.601 -9.064
603 HA ILE 75 HA ILE 75 -1.862 8.283 -9.859
604 HB ILE 75 HB ILE 75 -1.808 7.988 -7.157
605 HG12 ILE 75 HG12 ILE 75 1.064 7.677 -8.056
606 HG13 ILE 75 HG13 ILE 75 0.472 9.047 -7.121
607 HG21 ILE 75 HG21 ILE 75 -0.635 5.694 -7.784
608 HG22 ILE 75 HG22 ILE 75 -0.849 6.281 -9.432
609 HG23 ILE 75 HG23 ILE 75 -2.251 6.056 -8.386
610 HD11 ILE 75 HD11 ILE 75 1.359 7.490 -5.539
611 HD12 ILE 75 HD12 ILE 75 0.521 6.138 -6.302
612 HD13 ILE 75 HD13 ILE 75 -0.397 7.365 -5.427
613 HA PRO 76 HA PRO 76 -4.415 11.700 -8.745
614 HB2 PRO 76 HB2 PRO 76 -5.205 10.536 -6.165
615 HB3 PRO 76 HB3 PRO 76 -6.200 10.904 -7.580
616 HG2 PRO 76 HG2 PRO 76 -5.114 8.372 -6.752
617 HG3 PRO 76 HG3 PRO 76 -6.218 8.725 -8.091
618 HD2 PRO 76 HD2 PRO 76 -3.617 7.864 -8.429
619 HD3 PRO 76 HD3 PRO 76 -4.517 8.788 -9.643
620 H GLY 77 H GLY 77 -4.342 13.577 -7.375
621 HA2 GLY 77 HA2 GLY 77 -1.851 14.074 -6.063
622 HA3 GLY 77 HA3 GLY 77 -3.281 15.101 -5.938
623 H THR 78 H THR 78 -4.111 11.978 -5.089
624 HA THR 78 HA THR 78 -4.924 12.422 -2.505
625 HB THR 78 HB THR 78 -5.094 10.260 -3.873
626 HG1 THR 78 HG1 THR 78 -4.382 9.315 -1.458
627 HG21 THR 78 HG21 THR 78 -3.355 8.687 -3.789
628 HG22 THR 78 HG22 THR 78 -2.580 9.475 -2.416
629 HG23 THR 78 HG23 THR 78 -2.488 10.206 -4.019
630 H LYS 79 H LYS 79 -3.906 13.071 -0.680
631 HA LYS 79 HA LYS 79 -0.945 12.841 -0.546
632 HB2 LYS 79 HB2 LYS 79 -2.102 15.047 -0.099
633 HB3 LYS 79 HB3 LYS 79 -2.810 14.311 1.340
634 HG2 LYS 79 HG2 LYS 79 -0.526 13.798 2.176
635 HG3 LYS 79 HG3 LYS 79 0.153 14.610 0.764
636 HD2 LYS 79 HD2 LYS 79 -1.085 16.688 1.441
637 HD3 LYS 79 HD3 LYS 79 -1.567 15.861 2.923
638 HE2 LYS 79 HE2 LYS 79 1.305 16.284 2.047
639 HE3 LYS 79 HE3 LYS 79 0.462 17.277 3.236
640 HZ1 LYS 79 HZ1 LYS 79 0.586 15.679 4.789
641 HZ2 LYS 79 HZ2 LYS 79 1.882 15.107 3.850
642 HZ3 LYS 79 HZ3 LYS 79 0.338 14.416 3.684
643 H MET 80 H MET 80 -0.050 11.262 0.706
644 HA MET 80 HA MET 80 -1.850 9.839 2.612
645 HB2 MET 80 HB2 MET 80 -0.671 8.598 0.686
646 HB3 MET 80 HB3 MET 80 0.819 8.846 1.591
647 HG2 MET 80 HG2 MET 80 0.213 7.377 3.263
648 HG3 MET 80 HG3 MET 80 -1.510 7.696 3.075
649 HE1 MET 80 HE1 MET 80 1.377 5.500 2.461
650 HE2 MET 80 HE2 MET 80 1.562 6.426 0.973
651 HE3 MET 80 HE3 MET 80 1.142 4.719 0.896
652 H ALA 81 H ALA 81 -1.427 9.985 4.762
653 HA ALA 81 HA ALA 81 0.515 11.818 5.775
654 HB1 ALA 81 HB1 ALA 81 -0.300 11.275 7.900
655 HB2 ALA 81 HB2 ALA 81 -0.625 9.600 7.454
656 HB3 ALA 81 HB3 ALA 81 -1.674 10.889 6.863
657 H PHE 82 H PHE 82 0.702 8.395 5.071
658 HA PHE 82 HA PHE 82 2.820 7.600 6.742
659 HB2 PHE 82 HB2 PHE 82 1.548 6.159 5.071
660 HB3 PHE 82 HB3 PHE 82 2.597 6.831 3.825
661 HD1 PHE 82 HD2 PHE 82 2.501 4.791 6.910
662 HD2 PHE 82 HD1 PHE 82 4.922 6.178 3.641
663 HE1 PHE 82 HE2 PHE 82 4.258 3.151 7.515
664 HE2 PHE 82 HE1 PHE 82 6.678 4.532 4.247
665 HZ PHE 82 HZ PHE 82 6.344 3.020 6.184
666 H GLY 83 H GLY 83 2.960 9.331 3.628
667 HA2 GLY 83 HA2 GLY 83 4.700 10.594 2.686
668 HA3 GLY 83 HA3 GLY 83 5.330 10.762 4.325
669 H GLY 84 H GLY 84 7.328 9.925 4.574
670 HA2 GLY 84 HA2 GLY 84 8.072 7.535 2.928
671 HA3 GLY 84 HA3 GLY 84 9.209 8.841 3.260
672 H LEU 85 H LEU 85 9.504 6.025 4.002
673 HA LEU 85 HA LEU 85 9.273 6.177 6.969
674 HB2 LEU 85 HB2 LEU 85 8.274 4.196 5.859
675 HB3 LEU 85 HB3 LEU 85 9.853 3.791 5.187
676 HG LEU 85 HG LEU 85 10.771 3.572 7.462
677 HD11 LEU 85 HD11 LEU 85 8.071 4.630 8.150
678 HD12 LEU 85 HD12 LEU 85 9.625 4.920 8.932
679 HD13 LEU 85 HD13 LEU 85 8.755 3.416 9.230
680 HD21 LEU 85 HD21 LEU 85 8.742 1.907 6.271
681 HD22 LEU 85 HD22 LEU 85 8.625 1.811 8.027
682 HD23 LEU 85 HD23 LEU 85 10.144 1.421 7.222
683 H LYS 86 H LYS 86 11.092 6.527 8.139
684 HA LYS 86 HA LYS 86 13.611 7.073 6.942
685 HB2 LYS 86 HB2 LYS 86 12.936 6.321 9.800
686 HB3 LYS 86 HB3 LYS 86 14.497 6.954 9.279
687 HG2 LYS 86 HG2 LYS 86 13.331 8.976 8.387
688 HG3 LYS 86 HG3 LYS 86 11.820 8.358 9.054
689 HD2 LYS 86 HD2 LYS 86 12.879 8.321 11.315
690 HD3 LYS 86 HD3 LYS 86 14.323 9.056 10.617
691 HE2 LYS 86 HE2 LYS 86 12.716 10.888 9.737
692 HE3 LYS 86 HE3 LYS 86 11.568 10.246 10.912
693 HZ1 LYS 86 HZ1 LYS 86 12.611 11.693 12.263
694 HZ2 LYS 86 HZ2 LYS 86 14.035 11.721 11.338
695 HZ3 LYS 86 HZ3 LYS 86 13.744 10.441 12.417
696 H LYS 87 H LYS 87 12.311 4.093 8.363
697 HA LYS 87 HA LYS 87 14.889 2.719 7.888
698 HB2 LYS 87 HB2 LYS 87 12.264 1.739 9.051
699 HB3 LYS 87 HB3 LYS 87 13.729 0.764 8.919
700 HG2 LYS 87 HG2 LYS 87 14.936 2.469 10.290
701 HG3 LYS 87 HG3 LYS 87 13.411 3.330 10.502
702 HD2 LYS 87 HD2 LYS 87 12.432 1.265 11.510
703 HD3 LYS 87 HD3 LYS 87 14.015 0.495 11.392
704 HE2 LYS 87 HE2 LYS 87 14.994 2.140 12.876
705 HE3 LYS 87 HE3 LYS 87 13.503 3.082 12.884
706 HZ1 LYS 87 HZ1 LYS 87 13.521 0.260 13.746
707 HZ2 LYS 87 HZ2 LYS 87 12.401 1.481 14.120
708 HZ3 LYS 87 HZ3 LYS 87 13.947 1.498 14.824
709 H GLU 88 H GLU 88 15.132 2.397 5.697
710 HA GLU 88 HA GLU 88 12.978 1.798 3.897
711 HB2 GLU 88 HB2 GLU 88 15.960 1.307 3.648
712 HB3 GLU 88 HB3 GLU 88 14.806 1.143 2.324
713 HG2 GLU 88 HG2 GLU 88 14.141 3.517 2.637
714 HG3 GLU 88 HG3 GLU 88 15.358 3.672 3.904
715 H LYS 89 H LYS 89 15.213 -0.248 5.748
716 HA LYS 89 HA LYS 89 14.570 -2.724 4.498
717 HB2 LYS 89 HB2 LYS 89 16.444 -2.369 6.129
718 HB3 LYS 89 HB3 LYS 89 15.244 -2.290 7.421
719 HG2 LYS 89 HG2 LYS 89 14.455 -4.563 6.800
720 HG3 LYS 89 HG3 LYS 89 15.713 -4.643 5.566
721 HD2 LYS 89 HD2 LYS 89 17.421 -4.274 7.366
722 HD3 LYS 89 HD3 LYS 89 16.126 -4.382 8.558
723 HE2 LYS 89 HE2 LYS 89 15.853 -6.616 6.818
724 HE3 LYS 89 HE3 LYS 89 17.552 -6.520 7.282
725 HZ1 LYS 89 HZ1 LYS 89 15.620 -6.090 9.408
726 HZ2 LYS 89 HZ2 LYS 89 17.088 -6.945 9.426
727 HZ3 LYS 89 HZ3 LYS 89 15.689 -7.666 8.785
728 H ASP 90 H ASP 90 13.124 -1.160 7.364
729 HA ASP 90 HA ASP 90 11.147 -3.179 7.806
730 HB2 ASP 90 HB2 ASP 90 11.142 -0.223 8.490
731 HB3 ASP 90 HB3 ASP 90 9.974 -1.393 9.097
732 H ARG 91 H ARG 91 11.202 -0.256 5.811
733 HA ARG 91 HA ARG 91 8.468 -0.181 5.070
734 HB2 ARG 91 HB2 ARG 91 10.164 1.578 4.515
735 HB3 ARG 91 HB3 ARG 91 10.845 0.486 3.309
736 HG2 ARG 91 HG2 ARG 91 8.690 0.422 2.127
737 HG3 ARG 91 HG3 ARG 91 7.981 1.484 3.343
738 HD2 ARG 91 HD2 ARG 91 8.611 2.863 1.465
739 HD3 ARG 91 HD3 ARG 91 9.758 3.186 2.766
740 HE ARG 91 HE ARG 91 10.598 1.109 0.862
741 HH11 ARG 91 HH21 ARG 91 10.588 4.422 1.818
742 HH12 ARG 91 HH22 ARG 91 12.024 4.819 0.936
743 HH21 ARG 91 HH11 ARG 91 12.473 1.609 -0.297
744 HH22 ARG 91 HH12 ARG 91 13.091 3.226 -0.261
745 H ASN 92 H ASN 92 11.176 -2.029 3.702
746 HA ASN 92 HA ASN 92 9.801 -3.133 1.479
747 HB2 ASN 92 HB2 ASN 92 11.977 -4.384 3.181
748 HB3 ASN 92 HB3 ASN 92 11.508 -4.913 1.568
749 HD21 ASN 92 HD21 ASN 92 11.192 -2.437 0.249
750 HD22 ASN 92 HD22 ASN 92 12.687 -1.634 0.201
751 H ASP 93 H ASP 93 9.989 -4.182 4.863
752 HA ASP 93 HA ASP 93 8.641 -6.666 4.559
753 HB2 ASP 93 HB2 ASP 93 8.719 -4.728 6.888
754 HB3 ASP 93 HB3 ASP 93 8.056 -6.358 6.984
755 H LEU 94 H LEU 94 7.416 -3.368 4.992
756 HA LEU 94 HA LEU 94 4.677 -4.003 5.384
757 HB2 LEU 94 HB2 LEU 94 5.912 -1.626 3.962
758 HB3 LEU 94 HB3 LEU 94 4.253 -1.716 4.539
759 HG LEU 94 HG LEU 94 6.738 -1.905 6.263
760 HD11 LEU 94 HD11 LEU 94 5.241 0.323 5.258
761 HD12 LEU 94 HD12 LEU 94 6.616 0.339 6.362
762 HD13 LEU 94 HD13 LEU 94 4.975 0.210 6.997
763 HD21 LEU 94 HD21 LEU 94 5.230 -3.152 7.494
764 HD22 LEU 94 HD22 LEU 94 3.828 -2.378 6.755
765 HD23 LEU 94 HD23 LEU 94 4.738 -1.539 8.011
766 H ILE 95 H ILE 95 6.517 -3.459 2.380
767 HA ILE 95 HA ILE 95 4.341 -3.690 0.583
768 HB ILE 95 HB ILE 95 7.232 -4.510 0.194
769 HG12 ILE 95 HG12 ILE 95 5.816 -1.903 -0.446
770 HG13 ILE 95 HG13 ILE 95 6.882 -2.149 0.938
771 HG21 ILE 95 HG21 ILE 95 5.782 -5.430 -1.537
772 HG22 ILE 95 HG22 ILE 95 6.715 -4.090 -2.205
773 HG23 ILE 95 HG23 ILE 95 5.022 -3.856 -1.769
774 HD11 ILE 95 HD11 ILE 95 7.630 -1.417 -1.689
775 HD12 ILE 95 HD12 ILE 95 8.181 -3.078 -1.464
776 HD13 ILE 95 HD13 ILE 95 8.700 -1.817 -0.345
777 H THR 96 H THR 96 6.544 -6.173 1.872
778 HA THR 96 HA THR 96 5.441 -8.384 0.460
779 HB THR 96 HB THR 96 6.577 -8.432 3.272
780 HG1 THR 96 HG1 THR 96 7.801 -7.389 1.427
781 HG21 THR 96 HG21 THR 96 6.713 -10.692 3.039
782 HG22 THR 96 HG22 THR 96 7.120 -10.588 1.326
783 HG23 THR 96 HG23 THR 96 5.439 -10.458 1.843
784 H TYR 97 H TYR 97 4.537 -6.929 3.584
785 HA TYR 97 HA TYR 97 2.545 -8.847 4.279
786 HB2 TYR 97 HB2 TYR 97 3.401 -7.178 5.878
787 HB3 TYR 97 HB3 TYR 97 2.638 -5.889 4.946
788 HD1 TYR 97 HD2 TYR 97 1.972 -8.937 6.969
789 HD2 TYR 97 HD1 TYR 97 0.298 -5.442 5.117
790 HE1 TYR 97 HE2 TYR 97 -0.166 -9.329 8.162
791 HE2 TYR 97 HE1 TYR 97 -1.839 -5.834 6.309
792 HH TYR 97 HH TYR 97 -3.049 -7.669 7.360
793 H LEU 98 H LEU 98 2.339 -5.853 2.353
794 HA LEU 98 HA LEU 98 -0.480 -5.845 2.008
795 HB2 LEU 98 HB2 LEU 98 1.838 -4.646 0.627
796 HB3 LEU 98 HB3 LEU 98 0.408 -4.867 -0.382
797 HG LEU 98 HG LEU 98 -0.953 -3.578 1.100
798 HD11 LEU 98 HD11 LEU 98 1.226 -4.183 3.012
799 HD12 LEU 98 HD12 LEU 98 -0.505 -3.993 3.302
800 HD13 LEU 98 HD13 LEU 98 0.527 -2.570 3.149
801 HD21 LEU 98 HD21 LEU 98 0.262 -1.419 1.174
802 HD22 LEU 98 HD22 LEU 98 0.500 -2.246 -0.365
803 HD23 LEU 98 HD23 LEU 98 1.773 -2.271 0.854
804 H LYS 99 H LYS 99 2.052 -7.623 0.288
805 HA LYS 99 HA LYS 99 0.448 -8.642 -1.823
806 HB2 LYS 99 HB2 LYS 99 2.961 -8.953 -1.530
807 HB3 LYS 99 HB3 LYS 99 2.589 -10.202 -0.341
808 HG2 LYS 99 HG2 LYS 99 1.129 -11.276 -2.160
809 HG3 LYS 99 HG3 LYS 99 1.932 -10.185 -3.290
810 HD2 LYS 99 HD2 LYS 99 3.394 -12.086 -1.435
811 HD3 LYS 99 HD3 LYS 99 3.037 -12.432 -3.127
812 HE2 LYS 99 HE2 LYS 99 4.201 -10.119 -3.564
813 HE3 LYS 99 HE3 LYS 99 4.910 -10.386 -1.972
814 HZ1 LYS 99 HZ1 LYS 99 5.038 -12.295 -4.244
815 HZ2 LYS 99 HZ2 LYS 99 5.761 -12.502 -2.721
816 HZ3 LYS 99 HZ3 LYS 99 6.298 -11.268 -3.759
817 H LYS 100 H LYS 100 0.939 -9.739 1.512
818 HA LYS 100 HA LYS 100 -0.718 -12.073 1.334
819 HB2 LYS 100 HB2 LYS 100 0.918 -11.635 3.175
820 HB3 LYS 100 HB3 LYS 100 -0.153 -10.369 3.777
821 HG2 LYS 100 HG2 LYS 100 -1.946 -11.997 4.114
822 HG3 LYS 100 HG3 LYS 100 -0.944 -13.275 3.424
823 HD2 LYS 100 HD2 LYS 100 -0.814 -13.445 5.836
824 HD3 LYS 100 HD3 LYS 100 0.737 -12.845 5.246
825 HE2 LYS 100 HE2 LYS 100 0.326 -10.663 5.997
826 HE3 LYS 100 HE3 LYS 100 -1.420 -10.908 6.053
827 HZ1 LYS 100 HZ1 LYS 100 0.549 -11.424 8.059
828 HZ2 LYS 100 HZ2 LYS 100 -0.423 -12.785 7.760
829 HZ3 LYS 100 HZ3 LYS 100 -1.137 -11.310 8.206
830 H ALA 101 H ALA 101 -1.409 -8.665 2.032
831 HA ALA 101 HA ALA 101 -4.067 -9.036 2.988
832 HB1 ALA 101 HB1 ALA 101 -3.617 -6.614 1.367
833 HB2 ALA 101 HB2 ALA 101 -2.423 -6.870 2.639
834 HB3 ALA 101 HB3 ALA 101 -4.136 -6.763 3.046
835 H THR 102 H THR 102 -2.752 -8.884 -0.283
836 HA THR 102 HA THR 102 -5.295 -8.603 -1.600
837 HB THR 102 HB THR 102 -2.730 -8.473 -2.464
838 HG1 THR 102 HG1 THR 102 -4.278 -9.208 -4.521
839 HG21 THR 102 HG21 THR 102 -2.617 -11.018 -2.277
840 HG22 THR 102 HG22 THR 102 -2.162 -10.338 -3.837
841 HG23 THR 102 HG23 THR 102 -3.751 -11.070 -3.626
842 H GLU 103 H GLU 103 -3.488 -11.364 -0.378
843 HA GLU 103 HA GLU 103 -5.307 -13.287 -1.653
844 HB2 GLU 103 HB2 GLU 103 -2.882 -13.792 -1.271
845 HB3 GLU 103 HB3 GLU 103 -3.190 -13.765 0.466
846 HG2 GLU 103 HG2 GLU 103 -4.892 -15.561 0.157
847 HG3 GLU 103 HG3 GLU 103 -4.469 -15.631 -1.554
848 HHA HEC 104 HA HEC 104 -4.040 4.283 -1.994
849 HHB HEC 104 HB HEC 104 0.542 1.139 0.996
850 HHC HEC 104 HC HEC 104 -0.695 4.411 6.297
851 HHD HEC 104 HD HEC 104 -5.275 7.530 3.263
852 HMA1 HEC 104 1HMA HEC 104 0.449 0.699 -1.946
853 HMA2 HEC 104 2HMA HEC 104 -1.169 0.031 -2.168
854 HMA3 HEC 104 3HMA HEC 104 -0.348 -0.144 -0.619
855 HAA1 HEC 104 1HAA HEC 104 -1.857 1.658 -3.595
856 HAA2 HEC 104 2HAA HEC 104 -3.117 2.871 -3.441
857 HBA1 HEC 104 1HBA HEC 104 -1.101 3.552 -4.824
858 HBA2 HEC 104 2HBA HEC 104 -0.181 3.564 -3.320
859 HMB1 HEC 104 1HMB HEC 104 3.006 2.056 3.422
860 HMB2 HEC 104 2HMB HEC 104 2.374 0.474 3.877
861 HMB3 HEC 104 3HMB HEC 104 2.257 1.027 2.221
862 HAB HEC 104 HAB HEC 104 0.829 2.932 6.805
863 HBB1 HEC 104 1HBB HEC 104 2.567 1.514 7.292
864 HBB2 HEC 104 2HBB HEC 104 2.922 1.815 5.609
865 HBB3 HEC 104 3HBB HEC 104 2.090 0.332 6.078
866 HMC1 HEC 104 1HMC HEC 104 -2.283 7.689 7.377
867 HMC2 HEC 104 2HMC HEC 104 -0.935 6.593 7.076
868 HMC3 HEC 104 3HMC HEC 104 -2.315 6.052 8.033
869 HAC HEC 104 HAC HEC 104 -5.753 7.379 5.410
870 HBC1 HEC 104 1HBC HEC 104 -3.839 9.295 5.664
871 HBC2 HEC 104 2HBC HEC 104 -5.489 9.489 6.255
872 HBC3 HEC 104 3HBC HEC 104 -4.209 8.991 7.362
873 HMD1 HEC 104 1HMD HEC 104 -6.574 8.334 -0.258
874 HMD2 HEC 104 2HMD HEC 104 -5.510 8.877 1.040
875 HMD3 HEC 104 3HMD HEC 104 -7.021 8.054 1.425
876 HAD1 HEC 104 1HAD HEC 104 -7.153 6.352 -1.316
877 HAD2 HEC 104 2HAD HEC 104 -6.357 4.857 -1.782
878 HBD1 HEC 104 1HBD HEC 104 -4.765 7.158 -2.550
879 HBD2 HEC 104 2HBD HEC 104 -5.385 5.843 -3.549
Start of MODEL 6
1 H1 THR -5 H1 THR -5 13.636 -7.770 -5.894
2 H2 THR -5 H2 THR -5 14.448 -8.932 -6.831
3 H3 THR -5 H3 THR -5 13.290 -7.916 -7.548
4 HA THR -5 HA THR -5 16.017 -7.499 -7.400
5 HB THR -5 HB THR -5 15.445 -5.405 -8.560
6 HG1 THR -5 HG1 THR -5 13.010 -5.920 -7.307
7 HG21 THR -5 HG21 THR -5 13.329 -6.954 -9.771
8 HG22 THR -5 HG22 THR -5 14.667 -8.008 -9.312
9 HG23 THR -5 HG23 THR -5 14.954 -6.634 -10.377
10 H GLU -4 H GLU -4 14.665 -4.482 -6.844
11 HA GLU -4 HA GLU -4 16.302 -3.938 -4.573
12 HB2 GLU -4 HB2 GLU -4 13.830 -2.500 -5.585
13 HB3 GLU -4 HB3 GLU -4 14.939 -1.855 -4.375
14 HG2 GLU -4 HG2 GLU -4 16.799 -2.036 -6.013
15 HG3 GLU -4 HG3 GLU -4 15.651 -2.604 -7.226
16 H PHE -3 H PHE -3 12.960 -5.031 -4.864
17 HA PHE -3 HA PHE -3 12.703 -4.969 -1.897
18 HB2 PHE -3 HB2 PHE -3 10.771 -3.996 -2.780
19 HB3 PHE -3 HB3 PHE -3 10.735 -5.084 -4.166
20 HD1 PHE -3 HD1 PHE -3 11.160 -5.954 -0.552
21 HD2 PHE -3 HD2 PHE -3 8.613 -6.113 -4.008
22 HE1 PHE -3 HE1 PHE -3 9.621 -7.474 0.652
23 HE2 PHE -3 HE2 PHE -3 7.070 -7.628 -2.797
24 HZ PHE -3 HZ PHE -3 7.573 -8.307 -0.468
25 H LYS -2 H LYS -2 12.776 -6.845 -0.758
26 HA LYS -2 HA LYS -2 12.602 -9.412 -2.276
27 HB2 LYS -2 HB2 LYS -2 14.919 -8.856 -1.472
28 HB3 LYS -2 HB3 LYS -2 14.298 -8.873 0.178
29 HG2 LYS -2 HG2 LYS -2 13.542 -11.217 -0.151
30 HG3 LYS -2 HG3 LYS -2 14.239 -11.196 -1.771
31 HD2 LYS -2 HD2 LYS -2 16.461 -10.646 -0.745
32 HD3 LYS -2 HD3 LYS -2 15.730 -10.856 0.846
33 HE2 LYS -2 HE2 LYS -2 14.961 -13.152 -0.504
34 HE3 LYS -2 HE3 LYS -2 16.606 -12.881 -1.080
35 HZ1 LYS -2 HZ1 LYS -2 16.861 -14.119 0.858
36 HZ2 LYS -2 HZ2 LYS -2 15.666 -13.249 1.697
37 HZ3 LYS -2 HZ3 LYS -2 17.167 -12.528 1.360
38 H ALA -1 H ALA -1 11.029 -10.765 -1.527
39 HA ALA -1 HA ALA -1 9.204 -9.979 0.499
40 HB1 ALA -1 HB1 ALA -1 8.998 -12.746 0.390
41 HB2 ALA -1 HB2 ALA -1 9.639 -12.319 -1.196
42 HB3 ALA -1 HB3 ALA -1 8.127 -11.606 -0.635
43 H GLY 1 H GLY 1 10.191 -9.510 2.470
44 HA2 GLY 1 HA2 GLY 1 12.021 -11.450 3.708
45 HA3 GLY 1 HA3 GLY 1 11.502 -9.918 4.414
46 H SER 2 H SER 2 10.093 -10.088 6.088
47 HA SER 2 HA SER 2 8.383 -12.547 6.225
48 HB2 SER 2 HB2 SER 2 9.593 -10.988 8.527
49 HB3 SER 2 HB3 SER 2 8.549 -12.400 8.678
50 HG SER 2 HG SER 2 10.504 -12.993 6.987
51 H ALA 3 H ALA 3 6.214 -12.182 6.553
52 HA ALA 3 HA ALA 3 5.208 -9.481 6.264
53 HB1 ALA 3 HB1 ALA 3 3.101 -10.458 6.074
54 HB2 ALA 3 HB2 ALA 3 3.488 -11.754 7.204
55 HB3 ALA 3 HB3 ALA 3 4.140 -11.788 5.566
56 H LYS 4 H LYS 4 5.713 -11.673 8.965
57 HA LYS 4 HA LYS 4 4.111 -10.380 10.918
58 HB2 LYS 4 HB2 LYS 4 6.801 -11.709 11.342
59 HB3 LYS 4 HB3 LYS 4 5.529 -11.496 12.542
60 HG2 LYS 4 HG2 LYS 4 4.015 -12.892 11.156
61 HG3 LYS 4 HG3 LYS 4 5.333 -13.135 10.012
62 HD2 LYS 4 HD2 LYS 4 5.316 -15.061 11.449
63 HD3 LYS 4 HD3 LYS 4 6.697 -14.077 11.930
64 HE2 LYS 4 HE2 LYS 4 4.326 -13.244 13.372
65 HE3 LYS 4 HE3 LYS 4 4.599 -14.972 13.584
66 HZ1 LYS 4 HZ1 LYS 4 6.203 -12.722 14.464
67 HZ2 LYS 4 HZ2 LYS 4 7.075 -14.044 13.849
68 HZ3 LYS 4 HZ3 LYS 4 6.012 -14.259 15.157
69 H LYS 5 H LYS 5 7.518 -9.896 10.054
70 HA LYS 5 HA LYS 5 8.072 -7.843 11.940
71 HB2 LYS 5 HB2 LYS 5 9.234 -8.312 9.178
72 HB3 LYS 5 HB3 LYS 5 9.919 -7.222 10.379
73 HG2 LYS 5 HG2 LYS 5 10.108 -9.142 11.963
74 HG3 LYS 5 HG3 LYS 5 9.541 -10.212 10.681
75 HD2 LYS 5 HD2 LYS 5 11.458 -9.460 9.264
76 HD3 LYS 5 HD3 LYS 5 12.053 -8.514 10.629
77 HE2 LYS 5 HE2 LYS 5 11.670 -10.950 11.808
78 HE3 LYS 5 HE3 LYS 5 12.145 -11.431 10.179
79 HZ1 LYS 5 HZ1 LYS 5 13.928 -9.543 10.620
80 HZ2 LYS 5 HZ2 LYS 5 14.189 -11.161 11.066
81 HZ3 LYS 5 HZ3 LYS 5 13.675 -10.031 12.225
82 H GLY 6 H GLY 6 7.021 -7.548 8.519
83 HA2 GLY 6 HA2 GLY 6 6.786 -4.663 8.707
84 HA3 GLY 6 HA3 GLY 6 6.148 -5.652 7.399
85 H ALA 7 H ALA 7 4.612 -7.397 9.201
86 HA ALA 7 HA ALA 7 2.137 -6.025 9.221
87 HB1 ALA 7 HB1 ALA 7 2.270 -8.473 9.388
88 HB2 ALA 7 HB2 ALA 7 1.368 -7.826 10.758
89 HB3 ALA 7 HB3 ALA 7 3.043 -8.337 10.967
90 H THR 8 H THR 8 4.573 -6.432 11.770
91 HA THR 8 HA THR 8 3.119 -5.071 13.836
92 HB THR 8 HB THR 8 5.277 -4.898 14.938
93 HG1 THR 8 HG1 THR 8 6.444 -4.124 13.155
94 HG21 THR 8 HG21 THR 8 5.996 -7.385 13.688
95 HG22 THR 8 HG22 THR 8 4.244 -7.295 13.863
96 HG23 THR 8 HG23 THR 8 5.282 -7.119 15.279
97 H LEU 9 H LEU 9 5.496 -4.040 11.443
98 HA LEU 9 HA LEU 9 5.584 -1.270 12.116
99 HB2 LEU 9 HB2 LEU 9 5.975 -2.684 9.469
100 HB3 LEU 9 HB3 LEU 9 6.423 -1.017 9.776
101 HG LEU 9 HG LEU 9 7.523 -3.458 11.195
102 HD11 LEU 9 HD11 LEU 9 8.293 -1.944 8.843
103 HD12 LEU 9 HD12 LEU 9 8.965 -3.452 9.465
104 HD13 LEU 9 HD13 LEU 9 9.561 -1.905 10.066
105 HD21 LEU 9 HD21 LEU 9 7.658 -1.861 12.876
106 HD22 LEU 9 HD22 LEU 9 7.709 -0.516 11.736
107 HD23 LEU 9 HD23 LEU 9 9.147 -1.502 12.001
108 H PHE 10 H PHE 10 3.546 -3.111 9.897
109 HA PHE 10 HA PHE 10 2.101 -0.839 8.861
110 HB2 PHE 10 HB2 PHE 10 2.302 -3.080 7.744
111 HB3 PHE 10 HB3 PHE 10 1.262 -3.755 8.995
112 HD1 PHE 10 HD2 PHE 10 -1.106 -2.976 9.207
113 HD2 PHE 10 HD1 PHE 10 1.414 -1.782 5.941
114 HE1 PHE 10 HE2 PHE 10 -3.107 -2.276 7.919
115 HE2 PHE 10 HE1 PHE 10 -0.585 -1.087 4.651
116 HZ PHE 10 HZ PHE 10 -2.845 -1.337 5.640
117 H LYS 11 H LYS 11 1.145 -3.410 11.169
118 HA LYS 11 HA LYS 11 -1.332 -2.228 11.914
119 HB2 LYS 11 HB2 LYS 11 0.511 -4.074 13.456
120 HB3 LYS 11 HB3 LYS 11 -1.141 -3.690 13.932
121 HG2 LYS 11 HG2 LYS 11 -1.941 -4.553 11.733
122 HG3 LYS 11 HG3 LYS 11 -0.286 -5.031 11.353
123 HD2 LYS 11 HD2 LYS 11 -0.270 -6.449 13.412
124 HD3 LYS 11 HD3 LYS 11 -1.969 -6.045 13.663
125 HE2 LYS 11 HE2 LYS 11 -0.926 -7.300 11.112
126 HE3 LYS 11 HE3 LYS 11 -1.566 -8.240 12.459
127 HZ1 LYS 11 HZ1 LYS 11 -3.369 -7.903 11.034
128 HZ2 LYS 11 HZ2 LYS 11 -2.978 -6.271 10.764
129 HZ3 LYS 11 HZ3 LYS 11 -3.594 -6.763 12.269
130 H THR 12 H THR 12 1.946 -1.766 13.141
131 HA THR 12 HA THR 12 1.032 -0.087 15.355
132 HB THR 12 HB THR 12 3.415 0.281 15.777
133 HG1 THR 12 HG1 THR 12 3.542 -0.511 13.150
134 HG21 THR 12 HG21 THR 12 4.062 -2.324 15.545
135 HG22 THR 12 HG22 THR 12 2.321 -2.439 15.282
136 HG23 THR 12 HG23 THR 12 2.943 -1.729 16.772
137 H ARG 13 H ARG 13 1.534 0.409 12.012
138 HA ARG 13 HA ARG 13 1.240 3.312 12.436
139 HB2 ARG 13 HB2 ARG 13 3.612 2.085 11.018
140 HB3 ARG 13 HB3 ARG 13 3.159 3.778 10.859
141 HG2 ARG 13 HG2 ARG 13 3.292 3.955 13.383
142 HG3 ARG 13 HG3 ARG 13 3.977 2.330 13.391
143 HD2 ARG 13 HD2 ARG 13 5.765 3.141 11.825
144 HD3 ARG 13 HD3 ARG 13 5.135 4.776 12.030
145 HE ARG 13 HE ARG 13 6.050 4.812 14.224
146 HH11 ARG 13 HH21 ARG 13 6.118 1.683 12.777
147 HH12 ARG 13 HH22 ARG 13 7.136 0.995 13.997
148 HH21 ARG 13 HH11 ARG 13 7.378 3.931 15.826
149 HH22 ARG 13 HH12 ARG 13 7.850 2.267 15.724
150 H CYS 14 H CYS 14 -0.734 1.745 11.327
151 HA CYS 14 HA CYS 14 -0.940 2.935 8.681
152 HB2 CYS 14 HB2 CYS 14 0.487 0.718 8.537
153 HB3 CYS 14 HB3 CYS 14 -1.087 -0.055 8.632
154 H LEU 15 H LEU 15 -2.241 1.170 11.335
155 HA LEU 15 HA LEU 15 -4.805 0.492 10.255
156 HB2 LEU 15 HB2 LEU 15 -4.196 1.263 13.122
157 HB3 LEU 15 HB3 LEU 15 -5.514 0.239 12.551
158 HG LEU 15 HG LEU 15 -2.553 -0.367 12.429
159 HD11 LEU 15 HD11 LEU 15 -3.783 -0.716 14.606
160 HD12 LEU 15 HD12 LEU 15 -3.091 -2.187 13.923
161 HD13 LEU 15 HD13 LEU 15 -4.819 -1.870 13.765
162 HD21 LEU 15 HD21 LEU 15 -4.927 -1.628 11.086
163 HD22 LEU 15 HD22 LEU 15 -3.550 -2.627 11.553
164 HD23 LEU 15 HD23 LEU 15 -3.326 -1.288 10.427
165 H GLN 16 H GLN 16 -3.531 3.467 11.666
166 HA GLN 16 HA GLN 16 -5.807 4.931 12.218
167 HB2 GLN 16 HB2 GLN 16 -4.558 6.931 11.687
168 HB3 GLN 16 HB3 GLN 16 -3.432 5.755 12.367
169 HG2 GLN 16 HG2 GLN 16 -2.913 5.056 9.971
170 HG3 GLN 16 HG3 GLN 16 -3.808 6.488 9.456
171 HE21 GLN 16 HE21 GLN 16 -2.096 7.844 8.759
172 HE22 GLN 16 HE22 GLN 16 -0.811 8.327 9.756
173 H CYS 17 H CYS 17 -5.004 3.581 9.172
174 HA CYS 17 HA CYS 17 -7.301 5.050 7.969
175 HB2 CYS 17 HB2 CYS 17 -4.549 4.702 6.774
176 HB3 CYS 17 HB3 CYS 17 -5.961 5.106 5.799
177 H HIS 18 H HIS 18 -5.084 2.851 6.299
178 HA HIS 18 HA HIS 18 -7.144 1.194 5.285
179 HB2 HIS 18 HB2 HIS 18 -4.271 0.425 5.893
180 HB3 HIS 18 HB3 HIS 18 -5.366 -0.471 4.847
181 HD1 HIS 18 HD1 HIS 18 -6.065 0.691 2.572
182 HD2 HIS 18 HD2 HIS 18 -3.107 2.701 4.723
183 HE1 HIS 18 HE1 HIS 18 -5.016 2.360 0.971
184 H THR 19 H THR 19 -8.622 0.446 6.807
185 HA THR 19 HA THR 19 -8.034 -0.446 9.426
186 HB THR 19 HB THR 19 -10.232 -1.542 7.647
187 HG1 THR 19 HG1 THR 19 -11.409 0.248 8.597
188 HG21 THR 19 HG21 THR 19 -11.101 -2.425 9.536
189 HG22 THR 19 HG22 THR 19 -10.781 -0.958 10.460
190 HG23 THR 19 HG23 THR 19 -9.509 -2.161 10.249
191 H VAL 20 H VAL 20 -8.021 -2.199 6.348
192 HA VAL 20 HA VAL 20 -7.403 -4.425 5.869
193 HB VAL 20 HB VAL 20 -5.251 -3.754 7.878
194 HG11 VAL 20 HG11 VAL 20 -4.486 -5.181 5.469
195 HG12 VAL 20 HG12 VAL 20 -5.735 -6.055 6.354
196 HG13 VAL 20 HG13 VAL 20 -4.223 -5.626 7.155
197 HG21 VAL 20 HG21 VAL 20 -4.883 -1.984 6.500
198 HG22 VAL 20 HG22 VAL 20 -5.917 -2.647 5.235
199 HG23 VAL 20 HG23 VAL 20 -4.248 -3.193 5.384
200 H GLU 21 H GLU 21 -9.419 -4.370 7.872
201 HA GLU 21 HA GLU 21 -8.522 -6.286 9.945
202 HB2 GLU 21 HB2 GLU 21 -10.172 -4.338 10.354
203 HB3 GLU 21 HB3 GLU 21 -11.355 -5.327 9.501
204 HG2 GLU 21 HG2 GLU 21 -10.929 -7.175 11.126
205 HG3 GLU 21 HG3 GLU 21 -9.830 -6.112 12.001
206 H LYS 22 H LYS 22 -8.656 -6.873 6.999
207 HA LYS 22 HA LYS 22 -9.206 -8.709 5.662
208 HB2 LYS 22 HB2 LYS 22 -10.358 -9.967 8.155
209 HB3 LYS 22 HB3 LYS 22 -9.782 -10.778 6.704
210 HG2 LYS 22 HG2 LYS 22 -8.071 -9.151 8.603
211 HG3 LYS 22 HG3 LYS 22 -8.103 -10.905 8.484
212 HD2 LYS 22 HD2 LYS 22 -7.485 -10.608 6.016
213 HD3 LYS 22 HD3 LYS 22 -7.118 -8.931 6.426
214 HE2 LYS 22 HE2 LYS 22 -5.045 -9.889 6.769
215 HE3 LYS 22 HE3 LYS 22 -5.737 -10.051 8.383
216 HZ1 LYS 22 HZ1 LYS 22 -5.359 -12.102 6.311
217 HZ2 LYS 22 HZ2 LYS 22 -6.609 -12.285 7.447
218 HZ3 LYS 22 HZ3 LYS 22 -4.996 -12.168 7.967
219 H GLY 23 H GLY 23 -10.844 -6.784 5.179
220 HA2 GLY 23 HA2 GLY 23 -12.980 -6.824 4.001
221 HA3 GLY 23 HA3 GLY 23 -13.541 -8.051 5.138
222 H GLY 24 H GLY 24 -11.783 -5.505 6.598
223 HA2 GLY 24 HA2 GLY 24 -14.077 -4.658 8.136
224 HA3 GLY 24 HA3 GLY 24 -12.491 -3.888 8.153
225 HA PRO 25 HA PRO 25 -15.938 -1.426 5.822
226 HB2 PRO 25 HB2 PRO 25 -15.684 0.734 7.610
227 HB3 PRO 25 HB3 PRO 25 -17.016 -0.433 7.561
228 HG2 PRO 25 HG2 PRO 25 -14.666 -0.320 9.355
229 HG3 PRO 25 HG3 PRO 25 -16.304 -0.921 9.665
230 HD2 PRO 25 HD2 PRO 25 -14.198 -2.597 9.294
231 HD3 PRO 25 HD3 PRO 25 -15.847 -3.020 8.781
232 H HIS 26 H HIS 26 -15.485 0.657 4.701
233 HA HIS 26 HA HIS 26 -12.562 1.012 4.344
234 HB2 HIS 26 HB2 HIS 26 -14.886 2.129 2.746
235 HB3 HIS 26 HB3 HIS 26 -13.183 2.294 2.334
236 HD1 HIS 26 HD1 HIS 26 -11.904 0.108 1.614
237 HD2 HIS 26 HD2 HIS 26 -16.013 -0.388 2.131
238 HE1 HIS 26 HE1 HIS 26 -12.500 -2.113 0.546
239 HE2 HIS 26 HE2 HIS 26 -14.998 -2.425 0.858
240 H LYS 27 H LYS 27 -11.509 2.843 4.950
241 HA LYS 27 HA LYS 27 -13.146 5.022 6.179
242 HB2 LYS 27 HB2 LYS 27 -10.257 4.223 6.678
243 HB3 LYS 27 HB3 LYS 27 -11.088 5.571 7.459
244 HG2 LYS 27 HG2 LYS 27 -12.778 3.962 8.348
245 HG3 LYS 27 HG3 LYS 27 -11.833 2.639 7.661
246 HD2 LYS 27 HD2 LYS 27 -9.870 3.399 9.010
247 HD3 LYS 27 HD3 LYS 27 -10.905 4.611 9.768
248 HE2 LYS 27 HE2 LYS 27 -12.141 1.980 9.833
249 HE3 LYS 27 HE3 LYS 27 -10.558 1.965 10.612
250 HZ1 LYS 27 HZ1 LYS 27 -12.993 3.348 11.383
251 HZ2 LYS 27 HZ2 LYS 27 -11.551 4.226 11.578
252 HZ3 LYS 27 HZ3 LYS 27 -11.746 2.724 12.349
253 H VAL 28 H VAL 28 -10.460 6.569 6.111
254 HA VAL 28 HA VAL 28 -10.993 8.089 3.763
255 HB VAL 28 HB VAL 28 -8.457 7.819 5.406
256 HG11 VAL 28 HG11 VAL 28 -9.201 9.732 3.177
257 HG12 VAL 28 HG12 VAL 28 -7.814 8.644 3.238
258 HG13 VAL 28 HG13 VAL 28 -7.889 10.037 4.316
259 HG21 VAL 28 HG21 VAL 28 -10.705 9.858 5.344
260 HG22 VAL 28 HG22 VAL 28 -9.216 10.048 6.271
261 HG23 VAL 28 HG23 VAL 28 -10.335 8.740 6.658
262 H GLY 29 H GLY 29 -8.813 5.364 4.361
263 HA2 GLY 29 HA2 GLY 29 -8.137 5.360 1.449
264 HA3 GLY 29 HA3 GLY 29 -7.120 4.651 2.703
265 HA PRO 30 HA PRO 30 -10.317 1.620 0.720
266 HB2 PRO 30 HB2 PRO 30 -8.400 0.128 -0.640
267 HB3 PRO 30 HB3 PRO 30 -9.438 1.365 -1.369
268 HG2 PRO 30 HG2 PRO 30 -6.611 1.542 -0.491
269 HG3 PRO 30 HG3 PRO 30 -7.425 2.320 -1.858
270 HD2 PRO 30 HD2 PRO 30 -6.807 3.669 0.421
271 HD3 PRO 30 HD3 PRO 30 -8.233 4.065 -0.562
272 H ASN 31 H ASN 31 -10.511 -0.610 1.367
273 HA ASN 31 HA ASN 31 -9.428 -1.310 3.869
274 HB2 ASN 31 HB2 ASN 31 -11.395 -2.383 2.579
275 HB3 ASN 31 HB3 ASN 31 -10.167 -3.378 1.795
276 HD21 ASN 31 HD21 ASN 31 -8.730 -2.893 4.652
277 HD22 ASN 31 HD22 ASN 31 -9.381 -4.167 5.567
278 H LEU 32 H LEU 32 -8.101 -1.614 0.677
279 HA LEU 32 HA LEU 32 -5.924 -2.071 -0.002
280 HB2 LEU 32 HB2 LEU 32 -5.361 -1.091 2.340
281 HB3 LEU 32 HB3 LEU 32 -5.173 -2.769 2.839
282 HG LEU 32 HG LEU 32 -3.464 -3.123 1.110
283 HD11 LEU 32 HD11 LEU 32 -2.653 -0.727 0.173
284 HD12 LEU 32 HD12 LEU 32 -4.384 -0.415 0.295
285 HD13 LEU 32 HD13 LEU 32 -3.795 -1.752 -0.694
286 HD21 LEU 32 HD21 LEU 32 -1.909 -1.113 1.970
287 HD22 LEU 32 HD22 LEU 32 -2.330 -2.478 3.007
288 HD23 LEU 32 HD23 LEU 32 -3.216 -0.959 3.143
289 H HIS 33 H HIS 33 -8.138 -4.123 0.658
290 HA HIS 33 HA HIS 33 -6.406 -6.551 0.728
291 HB2 HIS 33 HB2 HIS 33 -9.319 -6.079 1.330
292 HB3 HIS 33 HB3 HIS 33 -8.728 -7.697 0.955
293 HD1 HIS 33 HD1 HIS 33 -6.066 -7.771 2.387
294 HD2 HIS 33 HD2 HIS 33 -9.475 -6.084 4.092
295 HE1 HIS 33 HE1 HIS 33 -5.704 -7.805 4.896
296 HE2 HIS 33 HE2 HIS 33 -7.771 -6.774 5.943
297 H GLY 34 H GLY 34 -7.780 -4.514 -1.497
298 HA2 GLY 34 HA2 GLY 34 -7.900 -6.723 -3.501
299 HA3 GLY 34 HA3 GLY 34 -9.208 -5.544 -3.431
300 H ILE 35 H ILE 35 -6.179 -4.118 -2.713
301 HA ILE 35 HA ILE 35 -6.259 -2.382 -4.949
302 HB ILE 35 HB ILE 35 -4.125 -3.165 -2.988
303 HG12 ILE 35 HG12 ILE 35 -5.655 -0.671 -3.749
304 HG13 ILE 35 HG13 ILE 35 -5.514 -1.450 -2.177
305 HG21 ILE 35 HG21 ILE 35 -2.857 -3.075 -5.080
306 HG22 ILE 35 HG22 ILE 35 -2.488 -1.656 -4.128
307 HG23 ILE 35 HG23 ILE 35 -3.596 -1.530 -5.494
308 HD11 ILE 35 HD11 ILE 35 -4.072 0.308 -1.834
309 HD12 ILE 35 HD12 ILE 35 -3.660 0.437 -3.542
310 HD13 ILE 35 HD13 ILE 35 -2.929 -0.827 -2.555
311 H PHE 36 H PHE 36 -4.913 -5.594 -4.625
312 HA PHE 36 HA PHE 36 -3.492 -5.429 -7.184
313 HB2 PHE 36 HB2 PHE 36 -4.113 -7.824 -5.428
314 HB3 PHE 36 HB3 PHE 36 -2.939 -7.777 -6.746
315 HD1 PHE 36 HD1 PHE 36 -3.741 -6.476 -3.367
316 HD2 PHE 36 HD2 PHE 36 -0.804 -6.700 -6.489
317 HE1 PHE 36 HE1 PHE 36 -2.039 -5.538 -1.829
318 HE2 PHE 36 HE2 PHE 36 0.903 -5.762 -4.950
319 HZ PHE 36 HZ PHE 36 0.281 -5.177 -2.620
320 H GLY 37 H GLY 37 -4.387 -5.880 -9.145
321 HA2 GLY 37 HA2 GLY 37 -6.395 -7.883 -9.578
322 HA3 GLY 37 HA3 GLY 37 -7.156 -6.291 -9.526
323 H ARG 38 H ARG 38 -7.587 -6.975 -11.887
324 HA ARG 38 HA ARG 38 -5.423 -7.061 -13.765
325 HB2 ARG 38 HB2 ARG 38 -7.261 -6.410 -15.430
326 HB3 ARG 38 HB3 ARG 38 -7.510 -7.902 -14.524
327 HG2 ARG 38 HG2 ARG 38 -9.415 -7.094 -13.643
328 HG3 ARG 38 HG3 ARG 38 -8.560 -5.690 -13.007
329 HD2 ARG 38 HD2 ARG 38 -8.889 -4.454 -15.019
330 HD3 ARG 38 HD3 ARG 38 -9.420 -5.886 -15.899
331 HE ARG 38 HE ARG 38 -11.095 -5.181 -13.593
332 HH11 ARG 38 HH21 ARG 38 -10.431 -4.867 -16.961
333 HH12 ARG 38 HH22 ARG 38 -12.055 -4.429 -17.376
334 HH21 ARG 38 HH11 ARG 38 -13.219 -4.612 -14.115
335 HH22 ARG 38 HH12 ARG 38 -13.633 -4.285 -15.764
336 H HIS 39 H HIS 39 -7.451 -4.363 -12.598
337 HA HIS 39 HA HIS 39 -5.414 -2.503 -13.754
338 HB2 HIS 39 HB2 HIS 39 -8.431 -2.200 -13.827
339 HB3 HIS 39 HB3 HIS 39 -7.297 -0.914 -14.240
340 HD1 HIS 39 HD1 HIS 39 -9.354 -2.413 -16.235
341 HD2 HIS 39 HD2 HIS 39 -5.238 -3.033 -15.982
342 HE1 HIS 39 HE1 HIS 39 -8.634 -3.376 -18.465
343 HE2 HIS 39 HE2 HIS 39 -6.131 -3.760 -18.319
344 H SER 40 H SER 40 -5.736 -0.232 -12.751
345 HA SER 40 HA SER 40 -5.429 -0.461 -9.915
346 HB2 SER 40 HB2 SER 40 -5.107 1.886 -9.927
347 HB3 SER 40 HB3 SER 40 -4.491 1.352 -11.482
348 HG SER 40 HG SER 40 -6.052 2.385 -12.440
349 H GLY 41 H GLY 41 -6.779 0.786 -8.333
350 HA2 GLY 41 HA2 GLY 41 -8.836 1.091 -7.274
351 HA3 GLY 41 HA3 GLY 41 -9.411 1.671 -8.834
352 H GLN 42 H GLN 42 -9.420 -0.979 -6.612
353 HA GLN 42 HA GLN 42 -11.302 -2.420 -8.432
354 HB2 GLN 42 HB2 GLN 42 -9.086 -3.715 -6.820
355 HB3 GLN 42 HB3 GLN 42 -10.297 -4.574 -7.767
356 HG2 GLN 42 HG2 GLN 42 -8.929 -4.403 -9.544
357 HG3 GLN 42 HG3 GLN 42 -9.195 -2.662 -9.517
358 HE21 GLN 42 HE21 GLN 42 -7.432 -1.346 -8.927
359 HE22 GLN 42 HE22 GLN 42 -5.952 -1.942 -8.347
360 H ALA 43 H ALA 43 -10.817 -1.008 -5.461
361 HA ALA 43 HA ALA 43 -12.070 -2.885 -3.690
362 HB1 ALA 43 HB1 ALA 43 -10.767 -0.714 -3.125
363 HB2 ALA 43 HB2 ALA 43 -12.163 -1.118 -2.126
364 HB3 ALA 43 HB3 ALA 43 -12.305 0.107 -3.387
365 H GLU 44 H GLU 44 -14.156 -3.545 -3.687
366 HA GLU 44 HA GLU 44 -16.129 -2.425 -5.460
367 HB2 GLU 44 HB2 GLU 44 -16.420 -4.308 -3.100
368 HB3 GLU 44 HB3 GLU 44 -17.707 -3.941 -4.249
369 HG2 GLU 44 HG2 GLU 44 -16.263 -4.769 -6.096
370 HG3 GLU 44 HG3 GLU 44 -15.028 -5.198 -4.912
371 H GLY 45 H GLY 45 -15.430 -2.012 -2.017
372 HA2 GLY 45 HA2 GLY 45 -17.782 -0.253 -1.682
373 HA3 GLY 45 HA3 GLY 45 -16.657 -0.730 -0.407
374 H TYR 46 H TYR 46 -14.340 0.145 -0.778
375 HA TYR 46 HA TYR 46 -14.395 2.980 -0.781
376 HB2 TYR 46 HB2 TYR 46 -12.546 1.755 0.233
377 HB3 TYR 46 HB3 TYR 46 -12.090 1.088 -1.332
378 HD1 TYR 46 HD2 TYR 46 -12.236 4.179 0.711
379 HD2 TYR 46 HD1 TYR 46 -10.941 2.394 -2.968
380 HE1 TYR 46 HE2 TYR 46 -10.848 6.172 0.233
381 HE2 TYR 46 HE1 TYR 46 -9.549 4.378 -3.456
382 HH TYR 46 HH TYR 46 -9.511 7.177 -1.232
383 H SER 47 H SER 47 -13.829 4.506 -2.389
384 HA SER 47 HA SER 47 -13.803 3.435 -5.187
385 HB2 SER 47 HB2 SER 47 -15.895 4.660 -4.577
386 HB3 SER 47 HB3 SER 47 -14.922 6.085 -4.228
387 HG SER 47 HG SER 47 -15.218 4.722 -6.701
388 H TYR 48 H TYR 48 -12.356 4.413 -6.640
389 HA TYR 48 HA TYR 48 -10.256 6.106 -5.355
390 HB2 TYR 48 HB2 TYR 48 -10.098 4.489 -7.918
391 HB3 TYR 48 HB3 TYR 48 -8.767 5.335 -7.131
392 HD1 TYR 48 HD2 TYR 48 -11.346 2.700 -6.504
393 HD2 TYR 48 HD1 TYR 48 -7.461 4.241 -5.522
394 HE1 TYR 48 HE2 TYR 48 -10.913 0.714 -5.089
395 HE2 TYR 48 HE1 TYR 48 -7.029 2.254 -4.103
396 HH TYR 48 HH TYR 48 -8.272 0.544 -2.910
397 H THR 49 H THR 49 -9.365 7.858 -6.696
398 HA THR 49 HA THR 49 -11.457 9.374 -8.009
399 HB THR 49 HB THR 49 -10.006 11.116 -7.804
400 HG1 THR 49 HG1 THR 49 -8.552 11.031 -9.298
401 HG21 THR 49 HG21 THR 49 -8.075 9.186 -6.524
402 HG22 THR 49 HG22 THR 49 -9.603 9.607 -5.747
403 HG23 THR 49 HG23 THR 49 -8.409 10.861 -6.079
404 H ASP 50 H ASP 50 -11.286 10.120 -10.289
405 HA ASP 50 HA ASP 50 -11.032 7.987 -12.129
406 HB2 ASP 50 HB2 ASP 50 -10.844 10.982 -12.576
407 HB3 ASP 50 HB3 ASP 50 -10.966 9.797 -13.878
408 H ALA 51 H ALA 51 -8.665 10.329 -10.977
409 HA ALA 51 HA ALA 51 -6.624 10.057 -12.851
410 HB1 ALA 51 HB1 ALA 51 -5.044 10.448 -10.952
411 HB2 ALA 51 HB2 ALA 51 -6.386 10.196 -9.834
412 HB3 ALA 51 HB3 ALA 51 -6.414 11.560 -10.951
413 H ASN 52 H ASN 52 -7.024 7.961 -9.956
414 HA ASN 52 HA ASN 52 -4.946 6.141 -10.690
415 HB2 ASN 52 HB2 ASN 52 -6.021 6.275 -8.432
416 HB3 ASN 52 HB3 ASN 52 -7.451 5.493 -9.111
417 HD21 ASN 52 HD21 ASN 52 -7.324 3.412 -8.154
418 HD22 ASN 52 HD22 ASN 52 -5.989 2.379 -8.321
419 H ILE 53 H ILE 53 -8.433 6.101 -11.394
420 HA ILE 53 HA ILE 53 -8.432 3.556 -12.722
421 HB ILE 53 HB ILE 53 -10.320 5.899 -13.068
422 HG12 ILE 53 HG12 ILE 53 -10.515 3.456 -11.278
423 HG13 ILE 53 HG13 ILE 53 -10.059 5.067 -10.720
424 HG21 ILE 53 HG21 ILE 53 -10.590 2.948 -13.717
425 HG22 ILE 53 HG22 ILE 53 -10.540 4.273 -14.879
426 HG23 ILE 53 HG23 ILE 53 -11.911 4.114 -13.782
427 HD11 ILE 53 HD11 ILE 53 -12.209 5.971 -11.412
428 HD12 ILE 53 HD12 ILE 53 -12.489 4.567 -10.381
429 HD13 ILE 53 HD13 ILE 53 -12.664 4.425 -12.131
430 H LYS 54 H LYS 54 -8.186 6.882 -14.031
431 HA LYS 54 HA LYS 54 -8.251 6.190 -16.767
432 HB2 LYS 54 HB2 LYS 54 -6.833 8.443 -15.333
433 HB3 LYS 54 HB3 LYS 54 -6.927 8.319 -17.088
434 HG2 LYS 54 HG2 LYS 54 -9.413 8.247 -16.918
435 HG3 LYS 54 HG3 LYS 54 -9.273 8.494 -15.179
436 HD2 LYS 54 HD2 LYS 54 -8.040 10.620 -15.616
437 HD3 LYS 54 HD3 LYS 54 -8.312 10.386 -17.343
438 HE2 LYS 54 HE2 LYS 54 -10.290 11.436 -17.097
439 HE3 LYS 54 HE3 LYS 54 -10.835 10.054 -16.149
440 HZ1 LYS 54 HZ1 LYS 54 -9.727 12.619 -15.222
441 HZ2 LYS 54 HZ2 LYS 54 -9.580 11.234 -14.248
442 HZ3 LYS 54 HZ3 LYS 54 -11.117 11.799 -14.697
443 H LYS 55 H LYS 55 -5.548 6.112 -14.490
444 HA LYS 55 HA LYS 55 -3.458 5.786 -16.379
445 HB2 LYS 55 HB2 LYS 55 -3.130 6.141 -13.919
446 HB3 LYS 55 HB3 LYS 55 -3.646 4.477 -13.649
447 HG2 LYS 55 HG2 LYS 55 -1.310 4.285 -13.719
448 HG3 LYS 55 HG3 LYS 55 -1.772 3.871 -15.365
449 HD2 LYS 55 HD2 LYS 55 -1.259 6.129 -16.127
450 HD3 LYS 55 HD3 LYS 55 -0.931 6.644 -14.473
451 HE2 LYS 55 HE2 LYS 55 1.216 6.051 -14.807
452 HE3 LYS 55 HE3 LYS 55 0.673 4.375 -14.859
453 HZ1 LYS 55 HZ1 LYS 55 0.093 4.975 -17.300
454 HZ2 LYS 55 HZ2 LYS 55 1.695 4.597 -16.882
455 HZ3 LYS 55 HZ3 LYS 55 1.226 6.218 -17.080
456 H ASN 56 H ASN 56 -5.744 3.454 -15.032
457 HA ASN 56 HA ASN 56 -6.226 1.254 -15.679
458 HB2 ASN 56 HB2 ASN 56 -6.340 2.486 -17.934
459 HB3 ASN 56 HB3 ASN 56 -4.723 1.845 -18.232
460 HD21 ASN 56 HD21 ASN 56 -4.492 -0.541 -18.337
461 HD22 ASN 56 HD22 ASN 56 -5.843 -1.519 -18.656
462 H VAL 57 H VAL 57 -4.080 1.397 -14.018
463 HA VAL 57 HA VAL 57 -2.147 -0.540 -15.217
464 HB VAL 57 HB VAL 57 -1.107 1.680 -14.780
465 HG11 VAL 57 HG11 VAL 57 -0.880 2.449 -12.452
466 HG12 VAL 57 HG12 VAL 57 -1.850 1.088 -11.895
467 HG13 VAL 57 HG13 VAL 57 -2.582 2.339 -12.900
468 HG21 VAL 57 HG21 VAL 57 -0.204 -0.856 -13.983
469 HG22 VAL 57 HG22 VAL 57 0.187 0.210 -12.633
470 HG23 VAL 57 HG23 VAL 57 0.789 0.577 -14.251
471 H LEU 58 H LEU 58 -1.702 -2.367 -13.955
472 HA LEU 58 HA LEU 58 -3.551 -2.805 -11.705
473 HB2 LEU 58 HB2 LEU 58 -1.983 -5.042 -11.750
474 HB3 LEU 58 HB3 LEU 58 -3.450 -4.840 -12.697
475 HG LEU 58 HG LEU 58 -2.089 -3.947 -14.567
476 HD11 LEU 58 HD11 LEU 58 -0.154 -3.080 -13.450
477 HD12 LEU 58 HD12 LEU 58 0.417 -4.464 -14.381
478 HD13 LEU 58 HD13 LEU 58 0.150 -4.619 -12.643
479 HD21 LEU 58 HD21 LEU 58 -2.391 -6.590 -13.705
480 HD22 LEU 58 HD22 LEU 58 -0.694 -6.466 -14.168
481 HD23 LEU 58 HD23 LEU 58 -1.957 -6.063 -15.332
482 H TRP 59 H TRP 59 -2.945 -2.892 -9.576
483 HA TRP 59 HA TRP 59 -0.339 -1.759 -8.900
484 HB2 TRP 59 HB2 TRP 59 -2.748 -2.641 -7.318
485 HB3 TRP 59 HB3 TRP 59 -1.252 -2.179 -6.517
486 HD1 TRP 59 HD1 TRP 59 -4.315 -0.753 -7.979
487 HE1 TRP 59 HE1 TRP 59 -4.146 1.832 -8.111
488 HE3 TRP 59 HE3 TRP 59 0.653 -0.174 -7.058
489 HZ2 TRP 59 HZ2 TRP 59 -2.134 3.856 -7.848
490 HZ3 TRP 59 HZ3 TRP 59 1.682 2.071 -6.994
491 HH2 TRP 59 HH2 TRP 59 0.295 4.092 -7.393
492 H ASP 60 H ASP 60 1.378 -2.863 -7.939
493 HA ASP 60 HA ASP 60 1.083 -5.699 -7.228
494 HB2 ASP 60 HB2 ASP 60 1.491 -5.645 -9.715
495 HB3 ASP 60 HB3 ASP 60 3.051 -4.896 -9.382
496 H GLU 61 H GLU 61 3.521 -6.504 -6.796
497 HA GLU 61 HA GLU 61 4.450 -4.961 -4.583
498 HB2 GLU 61 HB2 GLU 61 5.883 -7.079 -6.213
499 HB3 GLU 61 HB3 GLU 61 6.442 -6.459 -4.660
500 HG2 GLU 61 HG2 GLU 61 4.315 -7.201 -3.616
501 HG3 GLU 61 HG3 GLU 61 3.806 -7.872 -5.166
502 H ASN 62 H ASN 62 5.548 -5.132 -7.953
503 HA ASN 62 HA ASN 62 7.823 -3.398 -7.570
504 HB2 ASN 62 HB2 ASN 62 6.223 -4.081 -10.052
505 HB3 ASN 62 HB3 ASN 62 7.737 -3.176 -10.063
506 HD21 ASN 62 HD21 ASN 62 7.530 -5.703 -11.390
507 HD22 ASN 62 HD22 ASN 62 8.498 -6.826 -10.563
508 H ASN 63 H ASN 63 4.494 -2.833 -8.687
509 HA ASN 63 HA ASN 63 4.787 -0.057 -9.257
510 HB2 ASN 63 HB2 ASN 63 2.325 -1.493 -8.229
511 HB3 ASN 63 HB3 ASN 63 2.347 0.061 -9.056
512 HD21 ASN 63 HD21 ASN 63 1.196 -2.704 -9.857
513 HD22 ASN 63 HD22 ASN 63 1.820 -2.959 -11.415
514 H MET 64 H MET 64 4.103 -1.771 -6.228
515 HA MET 64 HA MET 64 3.392 0.472 -4.634
516 HB2 MET 64 HB2 MET 64 4.859 -2.082 -3.934
517 HB3 MET 64 HB3 MET 64 4.363 -0.903 -2.725
518 HG2 MET 64 HG2 MET 64 2.826 -3.017 -3.605
519 HG3 MET 64 HG3 MET 64 2.201 -1.579 -2.803
520 HE1 MET 64 HE1 MET 64 0.630 0.082 -3.832
521 HE2 MET 64 HE2 MET 64 -0.024 -1.543 -3.638
522 HE3 MET 64 HE3 MET 64 -0.403 -0.614 -5.086
523 H SER 65 H SER 65 6.576 -0.816 -5.540
524 HA SER 65 HA SER 65 8.109 0.929 -3.864
525 HB2 SER 65 HB2 SER 65 9.991 0.345 -5.276
526 HB3 SER 65 HB3 SER 65 8.999 -1.096 -5.072
527 HG SER 65 HG SER 65 9.174 0.653 -7.289
528 H GLU 66 H GLU 66 6.648 1.308 -7.043
529 HA GLU 66 HA GLU 66 7.967 3.747 -7.768
530 HB2 GLU 66 HB2 GLU 66 6.636 2.318 -9.340
531 HB3 GLU 66 HB3 GLU 66 5.168 2.862 -8.526
532 HG2 GLU 66 HG2 GLU 66 5.784 5.218 -9.066
533 HG3 GLU 66 HG3 GLU 66 7.178 4.619 -9.966
534 H TYR 67 H TYR 67 5.049 3.061 -5.883
535 HA TYR 67 HA TYR 67 4.149 5.770 -5.648
536 HB2 TYR 67 HB2 TYR 67 2.807 3.722 -5.050
537 HB3 TYR 67 HB3 TYR 67 3.819 3.538 -3.619
538 HD1 TYR 67 HD2 TYR 67 3.975 5.611 -2.019
539 HD2 TYR 67 HD1 TYR 67 0.896 5.077 -4.963
540 HE1 TYR 67 HE2 TYR 67 2.542 7.218 -0.807
541 HE2 TYR 67 HE1 TYR 67 -0.548 6.676 -3.733
542 HH TYR 67 HH TYR 67 0.277 8.823 -1.860
543 H LEU 68 H LEU 68 5.928 3.759 -3.273
544 HA LEU 68 HA LEU 68 6.485 5.863 -1.462
545 HB2 LEU 68 HB2 LEU 68 8.098 3.367 -2.058
546 HB3 LEU 68 HB3 LEU 68 8.282 4.376 -0.629
547 HG LEU 68 HG LEU 68 5.742 2.926 -1.434
548 HD11 LEU 68 HD11 LEU 68 6.281 1.732 0.801
549 HD12 LEU 68 HD12 LEU 68 7.918 2.349 0.573
550 HD13 LEU 68 HD13 LEU 68 7.210 1.264 -0.624
551 HD21 LEU 68 HD21 LEU 68 4.883 4.648 -0.178
552 HD22 LEU 68 HD22 LEU 68 6.418 4.959 0.634
553 HD23 LEU 68 HD23 LEU 68 5.401 3.616 1.153
554 H THR 69 H THR 69 8.358 4.656 -4.224
555 HA THR 69 HA THR 69 10.546 6.506 -3.816
556 HB THR 69 HB THR 69 11.290 5.805 -6.035
557 HG1 THR 69 HG1 THR 69 9.814 4.271 -7.116
558 HG21 THR 69 HG21 THR 69 10.375 3.873 -3.999
559 HG22 THR 69 HG22 THR 69 11.963 4.060 -4.743
560 HG23 THR 69 HG23 THR 69 10.692 3.176 -5.589
561 H ASN 70 H ASN 70 7.587 6.553 -5.792
562 HA ASN 70 HA ASN 70 7.834 9.486 -5.974
563 HB2 ASN 70 HB2 ASN 70 9.067 8.443 -7.958
564 HB3 ASN 70 HB3 ASN 70 7.488 7.885 -8.513
565 HD21 ASN 70 HD21 ASN 70 7.914 9.402 -10.409
566 HD22 ASN 70 HD22 ASN 70 7.552 11.050 -10.217
567 H HIS 71 H HIS 71 5.849 9.914 -5.059
568 HA HIS 71 HA HIS 71 3.468 8.795 -6.471
569 HB2 HIS 71 HB2 HIS 71 2.291 8.698 -4.260
570 HB3 HIS 71 HB3 HIS 71 3.629 7.565 -4.371
571 HD1 HIS 71 HD1 HIS 71 6.042 9.174 -3.700
572 HD2 HIS 71 HD2 HIS 71 2.421 9.749 -1.712
573 HE1 HIS 71 HE1 HIS 71 6.606 10.271 -1.484
574 HE2 HIS 71 HE2 HIS 71 4.410 10.627 -0.268
575 H ALA 72 H ALA 72 2.121 10.404 -7.128
576 HA ALA 72 HA ALA 72 1.206 12.622 -5.773
577 HB1 ALA 72 HB1 ALA 72 3.998 13.021 -6.751
578 HB2 ALA 72 HB2 ALA 72 3.188 13.720 -5.348
579 HB3 ALA 72 HB3 ALA 72 2.873 14.365 -6.958
580 H LYS 73 H LYS 73 2.824 13.662 -8.656
581 HA LYS 73 HA LYS 73 0.391 14.164 -10.052
582 HB2 LYS 73 HB2 LYS 73 3.139 13.724 -11.260
583 HB3 LYS 73 HB3 LYS 73 1.798 14.598 -11.997
584 HG2 LYS 73 HG2 LYS 73 3.134 15.392 -9.392
585 HG3 LYS 73 HG3 LYS 73 3.497 16.114 -10.959
586 HD2 LYS 73 HD2 LYS 73 0.976 16.618 -11.118
587 HD3 LYS 73 HD3 LYS 73 0.916 16.250 -9.393
588 HE2 LYS 73 HE2 LYS 73 3.069 17.923 -9.484
589 HE3 LYS 73 HE3 LYS 73 2.070 18.592 -10.775
590 HZ1 LYS 73 HZ1 LYS 73 0.813 19.526 -9.230
591 HZ2 LYS 73 HZ2 LYS 73 1.721 18.802 -7.989
592 HZ3 LYS 73 HZ3 LYS 73 0.382 17.992 -8.650
593 H TYR 74 H TYR 74 2.546 11.381 -10.039
594 HA TYR 74 HA TYR 74 1.517 9.998 -12.293
595 HB2 TYR 74 HB2 TYR 74 3.456 9.049 -11.457
596 HB3 TYR 74 HB3 TYR 74 2.941 9.219 -9.780
597 HD1 TYR 74 HD1 TYR 74 1.292 7.655 -12.769
598 HD2 TYR 74 HD2 TYR 74 2.846 7.117 -8.805
599 HE1 TYR 74 HE1 TYR 74 0.483 5.312 -12.767
600 HE2 TYR 74 HE2 TYR 74 2.035 4.775 -8.799
601 HH TYR 74 HH TYR 74 0.367 3.407 -11.643
602 H ILE 75 H ILE 75 0.419 9.994 -8.909
603 HA ILE 75 HA ILE 75 -2.023 8.490 -9.792
604 HB ILE 75 HB ILE 75 -1.931 8.175 -7.071
605 HG12 ILE 75 HG12 ILE 75 0.934 8.077 -8.039
606 HG13 ILE 75 HG13 ILE 75 0.267 9.410 -7.098
607 HG21 ILE 75 HG21 ILE 75 -2.166 6.409 -8.877
608 HG22 ILE 75 HG22 ILE 75 -1.151 5.922 -7.522
609 HG23 ILE 75 HG23 ILE 75 -0.410 6.433 -9.038
610 HD11 ILE 75 HD11 ILE 75 -0.288 6.744 -5.986
611 HD12 ILE 75 HD12 ILE 75 0.257 8.216 -5.177
612 HD13 ILE 75 HD13 ILE 75 1.422 7.183 -6.006
613 HA PRO 76 HA PRO 76 -4.900 11.625 -8.602
614 HB2 PRO 76 HB2 PRO 76 -5.626 10.336 -6.066
615 HB3 PRO 76 HB3 PRO 76 -6.625 10.648 -7.492
616 HG2 PRO 76 HG2 PRO 76 -5.355 8.198 -6.692
617 HG3 PRO 76 HG3 PRO 76 -6.439 8.489 -8.060
618 HD2 PRO 76 HD2 PRO 76 -3.753 7.867 -8.295
619 HD3 PRO 76 HD3 PRO 76 -4.701 8.682 -9.548
620 H GLY 77 H GLY 77 -4.946 13.491 -7.248
621 HA2 GLY 77 HA2 GLY 77 -2.527 14.046 -5.783
622 HA3 GLY 77 HA3 GLY 77 -3.946 15.092 -5.849
623 H THR 78 H THR 78 -4.430 11.820 -4.832
624 HA THR 78 HA THR 78 -5.635 12.516 -2.371
625 HB THR 78 HB THR 78 -5.778 10.285 -3.586
626 HG1 THR 78 HG1 THR 78 -6.665 10.067 -1.682
627 HG21 THR 78 HG21 THR 78 -3.101 10.272 -3.522
628 HG22 THR 78 HG22 THR 78 -4.037 8.775 -3.536
629 HG23 THR 78 HG23 THR 78 -3.398 9.402 -2.016
630 H LYS 79 H LYS 79 -4.826 12.853 -0.315
631 HA LYS 79 HA LYS 79 -1.865 12.969 -0.065
632 HB2 LYS 79 HB2 LYS 79 -4.074 14.065 1.704
633 HB3 LYS 79 HB3 LYS 79 -2.350 14.254 2.020
634 HG2 LYS 79 HG2 LYS 79 -2.108 15.380 -0.196
635 HG3 LYS 79 HG3 LYS 79 -3.858 15.282 -0.400
636 HD2 LYS 79 HD2 LYS 79 -4.136 16.568 1.724
637 HD3 LYS 79 HD3 LYS 79 -2.383 16.750 1.805
638 HE2 LYS 79 HE2 LYS 79 -3.227 17.502 -0.820
639 HE3 LYS 79 HE3 LYS 79 -4.249 18.343 0.345
640 HZ1 LYS 79 HZ1 LYS 79 -1.644 18.419 1.315
641 HZ2 LYS 79 HZ2 LYS 79 -2.576 19.715 0.733
642 HZ3 LYS 79 HZ3 LYS 79 -1.564 18.851 -0.323
643 H MET 80 H MET 80 -1.129 10.956 0.513
644 HA MET 80 HA MET 80 -2.614 9.058 2.054
645 HB2 MET 80 HB2 MET 80 -0.689 8.505 0.563
646 HB3 MET 80 HB3 MET 80 0.393 9.247 1.743
647 HG2 MET 80 HG2 MET 80 0.437 7.319 2.875
648 HG3 MET 80 HG3 MET 80 -1.291 7.472 3.175
649 HE1 MET 80 HE1 MET 80 1.197 4.920 1.892
650 HE2 MET 80 HE2 MET 80 1.505 6.444 1.065
651 HE3 MET 80 HE3 MET 80 0.992 5.036 0.139
652 H ALA 81 H ALA 81 -0.117 11.424 2.989
653 HA ALA 81 HA ALA 81 0.352 12.344 5.098
654 HB1 ALA 81 HB1 ALA 81 -2.010 10.924 6.283
655 HB2 ALA 81 HB2 ALA 81 -2.284 12.222 5.121
656 HB3 ALA 81 HB3 ALA 81 -1.401 12.546 6.613
657 H PHE 82 H PHE 82 0.734 9.245 4.317
658 HA PHE 82 HA PHE 82 0.908 7.824 6.770
659 HB2 PHE 82 HB2 PHE 82 1.102 6.497 4.846
660 HB3 PHE 82 HB3 PHE 82 2.318 7.551 4.124
661 HD1 PHE 82 HD2 PHE 82 2.281 6.290 7.644
662 HD2 PHE 82 HD1 PHE 82 4.070 5.999 3.746
663 HE1 PHE 82 HE2 PHE 82 4.073 4.858 8.572
664 HE2 PHE 82 HE1 PHE 82 5.857 4.563 4.677
665 HZ PHE 82 HZ PHE 82 5.860 3.993 7.092
666 H GLY 83 H GLY 83 3.232 9.990 5.187
667 HA2 GLY 83 HA2 GLY 83 4.758 11.339 6.524
668 HA3 GLY 83 HA3 GLY 83 4.719 10.090 7.767
669 H GLY 84 H GLY 84 4.947 8.294 5.092
670 HA2 GLY 84 HA2 GLY 84 6.751 7.499 3.760
671 HA3 GLY 84 HA3 GLY 84 7.791 8.725 4.484
672 H LEU 85 H LEU 85 9.237 6.701 4.510
673 HA LEU 85 HA LEU 85 9.213 5.613 7.233
674 HB2 LEU 85 HB2 LEU 85 7.734 4.092 5.820
675 HB3 LEU 85 HB3 LEU 85 9.165 3.698 4.881
676 HG LEU 85 HG LEU 85 10.261 2.819 6.896
677 HD11 LEU 85 HD11 LEU 85 8.446 2.508 8.855
678 HD12 LEU 85 HD12 LEU 85 7.864 4.031 8.185
679 HD13 LEU 85 HD13 LEU 85 9.517 3.908 8.785
680 HD21 LEU 85 HD21 LEU 85 9.044 1.174 5.693
681 HD22 LEU 85 HD22 LEU 85 7.495 1.804 6.254
682 HD23 LEU 85 HD23 LEU 85 8.560 0.956 7.375
683 H LYS 86 H LYS 86 11.246 4.122 7.459
684 HA LYS 86 HA LYS 86 13.559 5.564 6.688
685 HB2 LYS 86 HB2 LYS 86 13.275 2.644 7.459
686 HB3 LYS 86 HB3 LYS 86 14.807 3.512 7.370
687 HG2 LYS 86 HG2 LYS 86 13.932 5.146 9.045
688 HG3 LYS 86 HG3 LYS 86 12.472 4.167 9.191
689 HD2 LYS 86 HD2 LYS 86 13.896 2.219 9.845
690 HD3 LYS 86 HD3 LYS 86 15.304 3.283 9.819
691 HE2 LYS 86 HE2 LYS 86 14.243 2.951 12.106
692 HE3 LYS 86 HE3 LYS 86 14.425 4.631 11.599
693 HZ1 LYS 86 HZ1 LYS 86 12.155 4.732 10.984
694 HZ2 LYS 86 HZ2 LYS 86 12.207 4.051 12.539
695 HZ3 LYS 86 HZ3 LYS 86 11.946 3.061 11.183
696 H LYS 87 H LYS 87 11.648 3.296 4.916
697 HA LYS 87 HA LYS 87 11.844 2.437 2.757
698 HB2 LYS 87 HB2 LYS 87 13.838 4.699 2.546
699 HB3 LYS 87 HB3 LYS 87 13.355 3.691 1.186
700 HG2 LYS 87 HG2 LYS 87 10.995 4.327 1.560
701 HG3 LYS 87 HG3 LYS 87 11.496 5.366 2.891
702 HD2 LYS 87 HD2 LYS 87 12.938 6.639 1.316
703 HD3 LYS 87 HD3 LYS 87 12.320 5.651 -0.009
704 HE2 LYS 87 HE2 LYS 87 10.611 7.364 1.820
705 HE3 LYS 87 HE3 LYS 87 11.104 7.813 0.188
706 HZ1 LYS 87 HZ1 LYS 87 10.050 5.274 -0.012
707 HZ2 LYS 87 HZ2 LYS 87 9.334 6.724 -0.535
708 HZ3 LYS 87 HZ3 LYS 87 8.990 6.113 1.013
709 H GLU 88 H GLU 88 13.097 0.883 4.567
710 HA GLU 88 HA GLU 88 15.499 -0.019 3.055
711 HB2 GLU 88 HB2 GLU 88 15.315 0.193 6.078
712 HB3 GLU 88 HB3 GLU 88 16.661 -0.512 5.182
713 HG2 GLU 88 HG2 GLU 88 17.011 1.669 4.039
714 HG3 GLU 88 HG3 GLU 88 15.718 2.364 5.016
715 H LYS 89 H LYS 89 15.840 -2.083 5.260
716 HA LYS 89 HA LYS 89 14.425 -4.211 4.078
717 HB2 LYS 89 HB2 LYS 89 16.318 -4.454 5.709
718 HB3 LYS 89 HB3 LYS 89 15.206 -4.006 7.003
719 HG2 LYS 89 HG2 LYS 89 13.752 -5.924 6.392
720 HG3 LYS 89 HG3 LYS 89 14.918 -6.392 5.153
721 HD2 LYS 89 HD2 LYS 89 16.666 -6.564 6.946
722 HD3 LYS 89 HD3 LYS 89 15.402 -6.269 8.142
723 HE2 LYS 89 HE2 LYS 89 15.559 -8.626 8.047
724 HE3 LYS 89 HE3 LYS 89 14.163 -8.250 7.038
725 HZ1 LYS 89 HZ1 LYS 89 16.165 -8.092 5.271
726 HZ2 LYS 89 HZ2 LYS 89 15.238 -9.490 5.535
727 HZ3 LYS 89 HZ3 LYS 89 16.748 -9.313 6.295
728 H ASP 90 H ASP 90 13.447 -1.945 6.591
729 HA ASP 90 HA ASP 90 11.105 -3.247 7.509
730 HB2 ASP 90 HB2 ASP 90 11.726 -0.298 7.151
731 HB3 ASP 90 HB3 ASP 90 10.319 -0.908 8.019
732 H ARG 91 H ARG 91 11.603 -1.066 4.738
733 HA ARG 91 HA ARG 91 8.881 -0.936 3.904
734 HB2 ARG 91 HB2 ARG 91 10.643 0.556 3.040
735 HB3 ARG 91 HB3 ARG 91 11.391 -0.808 2.211
736 HG2 ARG 91 HG2 ARG 91 9.319 -1.137 0.899
737 HG3 ARG 91 HG3 ARG 91 8.591 0.247 1.715
738 HD2 ARG 91 HD2 ARG 91 9.469 1.001 -0.418
739 HD3 ARG 91 HD3 ARG 91 10.482 1.664 0.863
740 HE ARG 91 HE ARG 91 11.767 -0.683 0.204
741 HH11 ARG 91 HH21 ARG 91 10.541 2.027 -1.537
742 HH12 ARG 91 HH22 ARG 91 11.729 1.928 -2.792
743 HH21 ARG 91 HH11 ARG 91 13.327 -0.829 -1.426
744 HH22 ARG 91 HH12 ARG 91 13.307 0.311 -2.729
745 H ASN 92 H ASN 92 11.486 -3.196 3.019
746 HA ASN 92 HA ASN 92 10.063 -4.652 1.055
747 HB2 ASN 92 HB2 ASN 92 12.139 -5.610 3.043
748 HB3 ASN 92 HB3 ASN 92 11.608 -6.522 1.633
749 HD21 ASN 92 HD21 ASN 92 11.459 -3.304 0.752
750 HD22 ASN 92 HD22 ASN 92 12.993 -3.143 0.044
751 H ASP 93 H ASP 93 10.144 -5.077 4.586
752 HA ASP 93 HA ASP 93 8.530 -7.433 4.646
753 HB2 ASP 93 HB2 ASP 93 8.929 -5.243 6.701
754 HB3 ASP 93 HB3 ASP 93 8.105 -6.767 7.023
755 H LEU 94 H LEU 94 7.692 -3.983 4.714
756 HA LEU 94 HA LEU 94 4.907 -4.321 5.239
757 HB2 LEU 94 HB2 LEU 94 6.372 -2.145 3.723
758 HB3 LEU 94 HB3 LEU 94 4.697 -2.043 4.252
759 HG LEU 94 HG LEU 94 7.075 -2.457 6.083
760 HD11 LEU 94 HD11 LEU 94 7.095 -0.198 5.219
761 HD12 LEU 94 HD12 LEU 94 6.455 -0.141 6.862
762 HD13 LEU 94 HD13 LEU 94 5.359 -0.032 5.484
763 HD21 LEU 94 HD21 LEU 94 4.124 -2.531 6.430
764 HD22 LEU 94 HD22 LEU 94 5.026 -1.650 7.662
765 HD23 LEU 94 HD23 LEU 94 5.386 -3.349 7.354
766 H ILE 95 H ILE 95 6.689 -4.117 2.148
767 HA ILE 95 HA ILE 95 4.421 -4.184 0.450
768 HB ILE 95 HB ILE 95 7.177 -5.351 -0.036
769 HG12 ILE 95 HG12 ILE 95 6.060 -2.608 -0.710
770 HG13 ILE 95 HG13 ILE 95 7.139 -2.935 0.648
771 HG21 ILE 95 HG21 ILE 95 4.997 -4.439 -1.932
772 HG22 ILE 95 HG22 ILE 95 5.484 -6.110 -1.647
773 HG23 ILE 95 HG23 ILE 95 6.605 -4.983 -2.410
774 HD11 ILE 95 HD11 ILE 95 7.807 -3.555 -2.243
775 HD12 ILE 95 HD12 ILE 95 8.888 -3.699 -0.857
776 HD13 ILE 95 HD13 ILE 95 8.343 -2.109 -1.389
777 H THR 96 H THR 96 6.395 -6.840 1.765
778 HA THR 96 HA THR 96 5.024 -8.976 0.490
779 HB THR 96 HB THR 96 6.185 -9.054 3.290
780 HG1 THR 96 HG1 THR 96 8.046 -8.754 2.404
781 HG21 THR 96 HG21 THR 96 4.944 -10.994 1.698
782 HG22 THR 96 HG22 THR 96 5.936 -11.286 3.126
783 HG23 THR 96 HG23 THR 96 6.671 -11.307 1.522
784 H TYR 97 H TYR 97 4.340 -7.266 3.533
785 HA TYR 97 HA TYR 97 2.207 -8.927 4.416
786 HB2 TYR 97 HB2 TYR 97 3.250 -7.199 5.839
787 HB3 TYR 97 HB3 TYR 97 2.549 -5.941 4.822
788 HD1 TYR 97 HD2 TYR 97 1.770 -8.704 7.168
789 HD2 TYR 97 HD1 TYR 97 0.225 -5.351 4.973
790 HE1 TYR 97 HE2 TYR 97 -0.343 -8.831 8.460
791 HE2 TYR 97 HE1 TYR 97 -1.889 -5.481 6.263
792 HH TYR 97 HH TYR 97 -2.224 -7.587 9.033
793 H LEU 98 H LEU 98 2.196 -6.124 2.210
794 HA LEU 98 HA LEU 98 -0.609 -5.858 1.942
795 HB2 LEU 98 HB2 LEU 98 1.536 -5.458 -0.165
796 HB3 LEU 98 HB3 LEU 98 -0.111 -4.838 -0.253
797 HG LEU 98 HG LEU 98 1.928 -4.135 1.877
798 HD11 LEU 98 HD11 LEU 98 2.269 -3.153 -0.433
799 HD12 LEU 98 HD12 LEU 98 1.999 -1.961 0.837
800 HD13 LEU 98 HD13 LEU 98 0.690 -2.387 -0.266
801 HD21 LEU 98 HD21 LEU 98 0.011 -2.324 2.221
802 HD22 LEU 98 HD22 LEU 98 -0.091 -3.900 3.005
803 HD23 LEU 98 HD23 LEU 98 -0.999 -3.590 1.524
804 H LYS 99 H LYS 99 1.652 -8.070 0.346
805 HA LYS 99 HA LYS 99 -0.170 -9.148 -1.559
806 HB2 LYS 99 HB2 LYS 99 2.294 -9.610 -1.507
807 HB3 LYS 99 HB3 LYS 99 2.033 -10.637 -0.096
808 HG2 LYS 99 HG2 LYS 99 0.547 -12.090 -1.388
809 HG3 LYS 99 HG3 LYS 99 0.711 -11.040 -2.795
810 HD2 LYS 99 HD2 LYS 99 2.219 -12.922 -3.068
811 HD3 LYS 99 HD3 LYS 99 3.181 -11.477 -2.763
812 HE2 LYS 99 HE2 LYS 99 3.779 -12.155 -0.630
813 HE3 LYS 99 HE3 LYS 99 2.325 -13.132 -0.419
814 HZ1 LYS 99 HZ1 LYS 99 3.520 -14.883 -1.010
815 HZ2 LYS 99 HZ2 LYS 99 4.870 -13.916 -1.367
816 HZ3 LYS 99 HZ3 LYS 99 3.699 -14.218 -2.560
817 H LYS 100 H LYS 100 0.471 -10.012 1.832
818 HA LYS 100 HA LYS 100 -1.271 -12.275 1.934
819 HB2 LYS 100 HB2 LYS 100 0.417 -11.686 3.688
820 HB3 LYS 100 HB3 LYS 100 -0.622 -10.350 4.185
821 HG2 LYS 100 HG2 LYS 100 -2.431 -11.908 4.713
822 HG3 LYS 100 HG3 LYS 100 -1.463 -13.262 4.132
823 HD2 LYS 100 HD2 LYS 100 -1.296 -13.188 6.553
824 HD3 LYS 100 HD3 LYS 100 0.257 -12.711 5.869
825 HE2 LYS 100 HE2 LYS 100 0.066 -10.549 6.593
826 HE3 LYS 100 HE3 LYS 100 -1.679 -10.509 6.339
827 HZ1 LYS 100 HZ1 LYS 100 -2.089 -11.483 8.362
828 HZ2 LYS 100 HZ2 LYS 100 -0.731 -10.532 8.731
829 HZ3 LYS 100 HZ3 LYS 100 -0.557 -12.200 8.466
830 H ALA 101 H ALA 101 -1.856 -8.810 2.410
831 HA ALA 101 HA ALA 101 -4.534 -9.036 3.372
832 HB1 ALA 101 HB1 ALA 101 -2.771 -6.927 2.433
833 HB2 ALA 101 HB2 ALA 101 -4.108 -6.831 3.581
834 HB3 ALA 101 HB3 ALA 101 -4.418 -6.679 1.851
835 H THR 102 H THR 102 -3.194 -9.064 0.104
836 HA THR 102 HA THR 102 -5.709 -8.772 -1.258
837 HB THR 102 HB THR 102 -3.092 -8.823 -2.055
838 HG1 THR 102 HG1 THR 102 -4.318 -9.194 -4.224
839 HG21 THR 102 HG21 THR 102 -3.169 -11.357 -1.877
840 HG22 THR 102 HG22 THR 102 -2.694 -10.727 -3.452
841 HG23 THR 102 HG23 THR 102 -4.330 -11.334 -3.206
842 H GLU 103 H GLU 103 -4.010 -11.532 0.115
843 HA GLU 103 HA GLU 103 -5.597 -13.567 -1.155
844 HB2 GLU 103 HB2 GLU 103 -4.110 -13.605 1.490
845 HB3 GLU 103 HB3 GLU 103 -4.757 -15.029 0.674
846 HG2 GLU 103 HG2 GLU 103 -2.706 -13.131 -0.507
847 HG3 GLU 103 HG3 GLU 103 -2.340 -14.707 0.196
848 HHA HEC 104 HA HEC 104 -3.914 3.993 -2.189
849 HHB HEC 104 HB HEC 104 0.580 1.139 1.185
850 HHC HEC 104 HC HEC 104 -0.979 4.677 6.220
851 HHD HEC 104 HD HEC 104 -5.474 7.501 2.820
852 HMA1 HEC 104 1HMA HEC 104 -0.817 -0.098 -2.074
853 HMA2 HEC 104 2HMA HEC 104 -0.240 -0.252 -0.417
854 HMA3 HEC 104 3HMA HEC 104 0.738 0.595 -1.614
855 HAA1 HEC 104 1HAA HEC 104 -1.447 1.486 -3.576
856 HAA2 HEC 104 2HAA HEC 104 -2.839 2.554 -3.537
857 HBA1 HEC 104 1HBA HEC 104 -0.219 3.169 -4.387
858 HBA2 HEC 104 2HBA HEC 104 -0.472 4.051 -2.881
859 HMB1 HEC 104 1HMB HEC 104 2.241 0.640 4.194
860 HMB2 HEC 104 2HMB HEC 104 2.235 1.141 2.515
861 HMB3 HEC 104 3HMB HEC 104 2.884 2.217 3.734
862 HAB HEC 104 HAB HEC 104 0.456 3.187 6.915
863 HBB1 HEC 104 1HBB HEC 104 1.779 0.572 6.384
864 HBB2 HEC 104 2HBB HEC 104 2.159 1.802 7.584
865 HBB3 HEC 104 3HBB HEC 104 2.640 2.040 5.920
866 HMC1 HEC 104 1HMC HEC 104 -2.894 7.851 7.195
867 HMC2 HEC 104 2HMC HEC 104 -1.315 7.246 6.695
868 HMC3 HEC 104 3HMC HEC 104 -2.364 6.247 7.699
869 HAC HEC 104 HAC HEC 104 -6.051 7.375 5.006
870 HBC1 HEC 104 1HBC HEC 104 -4.554 9.375 6.624
871 HBC2 HEC 104 2HBC HEC 104 -4.323 9.444 4.877
872 HBC3 HEC 104 3HBC HEC 104 -5.941 9.603 5.560
873 HMD1 HEC 104 1HMD HEC 104 -5.669 8.703 0.563
874 HMD2 HEC 104 2HMD HEC 104 -7.186 7.846 0.838
875 HMD3 HEC 104 3HMD HEC 104 -6.597 8.094 -0.806
876 HAD1 HEC 104 1HAD HEC 104 -7.080 6.104 -1.819
877 HAD2 HEC 104 2HAD HEC 104 -6.354 4.521 -2.052
878 HBD1 HEC 104 1HBD HEC 104 -4.583 6.617 -2.992
879 HBD2 HEC 104 2HBD HEC 104 -5.230 5.227 -3.863
Start of MODEL 7
1 H1 THR -5 H1 THR -5 16.395 0.849 -7.452
2 H2 THR -5 H2 THR -5 16.486 -0.822 -7.159
3 H3 THR -5 H3 THR -5 16.848 0.281 -5.919
4 HA THR -5 HA THR -5 14.745 0.356 -5.279
5 HB THR -5 HB THR -5 13.769 0.683 -8.107
6 HG1 THR -5 HG1 THR -5 15.700 2.105 -6.972
7 HG21 THR -5 HG21 THR -5 12.919 2.455 -5.900
8 HG22 THR -5 HG22 THR -5 12.509 0.753 -5.691
9 HG23 THR -5 HG23 THR -5 11.949 1.626 -7.117
10 H GLU -4 H GLU -4 15.645 -2.155 -5.457
11 HA GLU -4 HA GLU -4 13.632 -3.711 -7.007
12 HB2 GLU -4 HB2 GLU -4 16.058 -4.290 -7.260
13 HB3 GLU -4 HB3 GLU -4 16.097 -4.704 -5.546
14 HG2 GLU -4 HG2 GLU -4 14.282 -6.369 -5.942
15 HG3 GLU -4 HG3 GLU -4 14.362 -6.003 -7.667
16 H PHE -3 H PHE -3 12.134 -5.007 -5.949
17 HA PHE -3 HA PHE -3 11.996 -4.653 -2.998
18 HB2 PHE -3 HB2 PHE -3 9.944 -3.994 -3.960
19 HB3 PHE -3 HB3 PHE -3 9.957 -5.326 -5.115
20 HD1 PHE -3 HD2 PHE -3 10.549 -5.323 -1.404
21 HD2 PHE -3 HD1 PHE -3 8.061 -6.625 -4.658
22 HE1 PHE -3 HE2 PHE -3 9.231 -6.717 0.158
23 HE2 PHE -3 HE1 PHE -3 6.742 -8.015 -3.086
24 HZ PHE -3 HZ PHE -3 7.325 -8.059 -0.679
25 H LYS -2 H LYS -2 12.261 -6.381 -1.650
26 HA LYS -2 HA LYS -2 12.390 -9.097 -2.886
27 HB2 LYS -2 HB2 LYS -2 14.635 -8.175 -2.227
28 HB3 LYS -2 HB3 LYS -2 14.058 -8.100 -0.562
29 HG2 LYS -2 HG2 LYS -2 13.600 -10.540 -0.630
30 HG3 LYS -2 HG3 LYS -2 14.251 -10.599 -2.268
31 HD2 LYS -2 HD2 LYS -2 16.407 -9.670 -1.381
32 HD3 LYS -2 HD3 LYS -2 15.747 -9.816 0.248
33 HE2 LYS -2 HE2 LYS -2 15.581 -12.198 0.067
34 HE3 LYS -2 HE3 LYS -2 15.897 -12.153 -1.668
35 HZ1 LYS -2 HZ1 LYS -2 17.804 -12.739 -0.063
36 HZ2 LYS -2 HZ2 LYS -2 17.872 -11.066 0.229
37 HZ3 LYS -2 HZ3 LYS -2 18.112 -11.668 -1.342
38 H ALA -1 H ALA -1 11.071 -10.582 -1.920
39 HA ALA -1 HA ALA -1 9.221 -9.787 0.115
40 HB1 ALA -1 HB1 ALA -1 10.001 -12.528 -0.914
41 HB2 ALA -1 HB2 ALA -1 8.624 -11.552 -1.429
42 HB3 ALA -1 HB3 ALA -1 8.660 -12.238 0.195
43 H GLY 1 H GLY 1 10.205 -9.138 2.028
44 HA2 GLY 1 HA2 GLY 1 12.313 -10.769 3.256
45 HA3 GLY 1 HA3 GLY 1 11.605 -9.303 3.939
46 H SER 2 H SER 2 10.329 -9.628 5.691
47 HA SER 2 HA SER 2 8.945 -12.275 5.941
48 HB2 SER 2 HB2 SER 2 10.843 -12.012 7.547
49 HB3 SER 2 HB3 SER 2 10.060 -10.573 8.193
50 HG SER 2 HG SER 2 8.646 -11.794 9.185
51 H ALA 3 H ALA 3 6.765 -12.096 6.140
52 HA ALA 3 HA ALA 3 5.480 -9.515 6.092
53 HB1 ALA 3 HB1 ALA 3 4.641 -12.350 6.086
54 HB2 ALA 3 HB2 ALA 3 4.027 -10.992 5.143
55 HB3 ALA 3 HB3 ALA 3 3.479 -11.232 6.801
56 H LYS 4 H LYS 4 6.196 -11.848 8.636
57 HA LYS 4 HA LYS 4 4.536 -10.801 10.686
58 HB2 LYS 4 HB2 LYS 4 7.316 -11.966 10.995
59 HB3 LYS 4 HB3 LYS 4 6.053 -11.915 12.221
60 HG2 LYS 4 HG2 LYS 4 4.607 -13.270 10.651
61 HG3 LYS 4 HG3 LYS 4 6.036 -13.470 9.636
62 HD2 LYS 4 HD2 LYS 4 5.857 -14.280 12.554
63 HD3 LYS 4 HD3 LYS 4 5.721 -15.390 11.189
64 HE2 LYS 4 HE2 LYS 4 7.976 -15.610 11.506
65 HE3 LYS 4 HE3 LYS 4 8.033 -14.136 10.539
66 HZ1 LYS 4 HZ1 LYS 4 8.192 -12.814 12.461
67 HZ2 LYS 4 HZ2 LYS 4 9.294 -14.086 12.694
68 HZ3 LYS 4 HZ3 LYS 4 7.792 -14.102 13.490
69 H LYS 5 H LYS 5 7.893 -10.032 9.833
70 HA LYS 5 HA LYS 5 8.319 -8.057 11.834
71 HB2 LYS 5 HB2 LYS 5 9.496 -8.298 9.050
72 HB3 LYS 5 HB3 LYS 5 10.111 -7.229 10.307
73 HG2 LYS 5 HG2 LYS 5 10.441 -9.211 11.786
74 HG3 LYS 5 HG3 LYS 5 9.932 -10.250 10.455
75 HD2 LYS 5 HD2 LYS 5 11.784 -9.303 9.067
76 HD3 LYS 5 HD3 LYS 5 12.330 -8.394 10.478
77 HE2 LYS 5 HE2 LYS 5 12.069 -11.413 10.351
78 HE3 LYS 5 HE3 LYS 5 13.583 -10.521 10.212
79 HZ1 LYS 5 HZ1 LYS 5 13.698 -10.367 12.404
80 HZ2 LYS 5 HZ2 LYS 5 12.314 -11.345 12.534
81 HZ3 LYS 5 HZ3 LYS 5 12.161 -9.654 12.489
82 H GLY 6 H GLY 6 7.232 -7.665 8.442
83 HA2 GLY 6 HA2 GLY 6 6.804 -4.816 8.754
84 HA3 GLY 6 HA3 GLY 6 6.226 -5.793 7.407
85 H ALA 7 H ALA 7 4.857 -7.700 9.220
86 HA ALA 7 HA ALA 7 2.269 -6.587 9.230
87 HB1 ALA 7 HB1 ALA 7 2.619 -8.993 9.464
88 HB2 ALA 7 HB2 ALA 7 1.698 -8.407 10.849
89 HB3 ALA 7 HB3 ALA 7 3.420 -8.752 11.017
90 H THR 8 H THR 8 4.696 -6.671 11.835
91 HA THR 8 HA THR 8 2.988 -5.337 13.745
92 HB THR 8 HB THR 8 5.457 -6.598 13.854
93 HG1 THR 8 HG1 THR 8 4.925 -6.550 15.877
94 HG21 THR 8 HG21 THR 8 5.856 -3.677 14.541
95 HG22 THR 8 HG22 THR 8 6.512 -4.459 13.101
96 HG23 THR 8 HG23 THR 8 7.038 -4.974 14.699
97 H LEU 9 H LEU 9 5.334 -4.288 11.333
98 HA LEU 9 HA LEU 9 5.365 -1.511 12.060
99 HB2 LEU 9 HB2 LEU 9 5.833 -2.876 9.402
100 HB3 LEU 9 HB3 LEU 9 6.233 -1.204 9.749
101 HG LEU 9 HG LEU 9 7.372 -3.642 11.143
102 HD11 LEU 9 HD11 LEU 9 9.437 -2.143 10.108
103 HD12 LEU 9 HD12 LEU 9 8.190 -1.972 8.875
104 HD13 LEU 9 HD13 LEU 9 8.748 -3.576 9.347
105 HD21 LEU 9 HD21 LEU 9 8.936 -1.660 12.000
106 HD22 LEU 9 HD22 LEU 9 7.445 -2.067 12.848
107 HD23 LEU 9 HD23 LEU 9 7.479 -0.705 11.727
108 H PHE 10 H PHE 10 3.430 -3.392 9.759
109 HA PHE 10 HA PHE 10 1.905 -1.160 8.758
110 HB2 PHE 10 HB2 PHE 10 2.129 -3.362 7.596
111 HB3 PHE 10 HB3 PHE 10 1.162 -4.103 8.869
112 HD1 PHE 10 HD2 PHE 10 -1.217 -3.371 9.212
113 HD2 PHE 10 HD1 PHE 10 1.116 -2.105 5.835
114 HE1 PHE 10 HE2 PHE 10 -3.291 -2.707 8.029
115 HE2 PHE 10 HE1 PHE 10 -0.961 -1.443 4.649
116 HZ PHE 10 HZ PHE 10 -3.165 -1.745 5.747
117 H LYS 11 H LYS 11 1.070 -3.754 11.079
118 HA LYS 11 HA LYS 11 -1.448 -2.704 11.833
119 HB2 LYS 11 HB2 LYS 11 0.521 -4.406 13.376
120 HB3 LYS 11 HB3 LYS 11 -1.130 -4.087 13.902
121 HG2 LYS 11 HG2 LYS 11 -1.967 -5.044 11.760
122 HG3 LYS 11 HG3 LYS 11 -0.308 -5.445 11.321
123 HD2 LYS 11 HD2 LYS 11 -0.133 -6.818 13.402
124 HD3 LYS 11 HD3 LYS 11 -1.836 -6.492 13.720
125 HE2 LYS 11 HE2 LYS 11 -2.009 -7.356 11.161
126 HE3 LYS 11 HE3 LYS 11 -0.598 -8.273 11.692
127 HZ1 LYS 11 HZ1 LYS 11 -3.365 -8.514 12.489
128 HZ2 LYS 11 HZ2 LYS 11 -2.256 -8.563 13.775
129 HZ3 LYS 11 HZ3 LYS 11 -2.128 -9.674 12.495
130 H THR 12 H THR 12 1.805 -1.986 12.979
131 HA THR 12 HA THR 12 0.781 -0.274 15.135
132 HB THR 12 HB THR 12 3.143 0.154 15.622
133 HG1 THR 12 HG1 THR 12 3.823 0.197 13.427
134 HG21 THR 12 HG21 THR 12 2.128 -2.613 15.195
135 HG22 THR 12 HG22 THR 12 2.633 -1.818 16.686
136 HG23 THR 12 HG23 THR 12 3.843 -2.433 15.561
137 H ARG 13 H ARG 13 1.364 0.106 11.790
138 HA ARG 13 HA ARG 13 1.077 3.026 12.126
139 HB2 ARG 13 HB2 ARG 13 3.402 1.755 10.662
140 HB3 ARG 13 HB3 ARG 13 2.977 3.461 10.550
141 HG2 ARG 13 HG2 ARG 13 3.194 3.603 13.057
142 HG3 ARG 13 HG3 ARG 13 3.811 1.951 13.041
143 HD2 ARG 13 HD2 ARG 13 5.591 2.708 11.428
144 HD3 ARG 13 HD3 ARG 13 5.040 4.364 11.684
145 HE ARG 13 HE ARG 13 6.662 2.819 13.523
146 HH11 ARG 13 HH21 ARG 13 4.183 5.195 13.216
147 HH12 ARG 13 HH22 ARG 13 4.548 5.963 14.725
148 HH21 ARG 13 HH11 ARG 13 7.152 3.806 15.495
149 HH22 ARG 13 HH12 ARG 13 6.228 5.176 16.016
150 H CYS 14 H CYS 14 -0.927 1.440 11.101
151 HA CYS 14 HA CYS 14 -1.218 2.583 8.457
152 HB2 CYS 14 HB2 CYS 14 0.276 0.379 8.326
153 HB3 CYS 14 HB3 CYS 14 -1.303 -0.397 8.356
154 H LEU 15 H LEU 15 -2.400 0.794 11.142
155 HA LEU 15 HA LEU 15 -4.982 0.066 10.095
156 HB2 LEU 15 HB2 LEU 15 -4.314 0.716 12.977
157 HB3 LEU 15 HB3 LEU 15 -5.601 -0.336 12.386
158 HG LEU 15 HG LEU 15 -2.624 -0.804 12.149
159 HD11 LEU 15 HD11 LEU 15 -3.465 -2.977 13.362
160 HD12 LEU 15 HD12 LEU 15 -4.851 -1.975 13.792
161 HD13 LEU 15 HD13 LEU 15 -3.229 -1.500 14.295
162 HD21 LEU 15 HD21 LEU 15 -3.404 -1.701 10.149
163 HD22 LEU 15 HD22 LEU 15 -4.991 -2.081 10.821
164 HD23 LEU 15 HD23 LEU 15 -3.599 -3.079 11.233
165 H GLN 16 H GLN 16 -3.706 3.010 11.538
166 HA GLN 16 HA GLN 16 -6.192 4.284 12.100
167 HB2 GLN 16 HB2 GLN 16 -4.910 6.359 12.159
168 HB3 GLN 16 HB3 GLN 16 -3.986 5.073 12.934
169 HG2 GLN 16 HG2 GLN 16 -2.745 4.717 10.807
170 HG3 GLN 16 HG3 GLN 16 -3.628 6.065 10.090
171 HE21 GLN 16 HE21 GLN 16 -2.956 8.205 10.628
172 HE22 GLN 16 HE22 GLN 16 -1.643 8.536 11.650
173 H CYS 17 H CYS 17 -5.576 3.084 9.210
174 HA CYS 17 HA CYS 17 -7.231 5.093 7.867
175 HB2 CYS 17 HB2 CYS 17 -4.345 4.663 7.080
176 HB3 CYS 17 HB3 CYS 17 -5.544 5.298 5.955
177 H HIS 18 H HIS 18 -4.962 2.449 6.988
178 HA HIS 18 HA HIS 18 -7.026 1.360 5.171
179 HB2 HIS 18 HB2 HIS 18 -4.166 0.549 5.753
180 HB3 HIS 18 HB3 HIS 18 -5.221 -0.329 4.650
181 HD1 HIS 18 HD1 HIS 18 -5.854 0.841 2.405
182 HD2 HIS 18 HD2 HIS 18 -3.256 3.032 4.798
183 HE1 HIS 18 HE1 HIS 18 -5.005 2.766 0.974
184 H THR 19 H THR 19 -8.466 -0.103 5.940
185 HA THR 19 HA THR 19 -7.874 -1.466 8.492
186 HB THR 19 HB THR 19 -10.362 -1.625 6.754
187 HG1 THR 19 HG1 THR 19 -9.756 -0.010 9.004
188 HG21 THR 19 HG21 THR 19 -9.679 -2.509 9.558
189 HG22 THR 19 HG22 THR 19 -10.352 -3.471 8.242
190 HG23 THR 19 HG23 THR 19 -11.347 -2.256 9.043
191 H VAL 20 H VAL 20 -7.188 -3.576 8.550
192 HA VAL 20 HA VAL 20 -7.231 -5.092 5.975
193 HB VAL 20 HB VAL 20 -5.258 -5.145 8.258
194 HG11 VAL 20 HG11 VAL 20 -5.886 -7.132 6.167
195 HG12 VAL 20 HG12 VAL 20 -5.015 -7.337 7.687
196 HG13 VAL 20 HG13 VAL 20 -4.181 -6.693 6.273
197 HG21 VAL 20 HG21 VAL 20 -5.019 -3.287 6.654
198 HG22 VAL 20 HG22 VAL 20 -5.026 -4.437 5.317
199 HG23 VAL 20 HG23 VAL 20 -3.692 -4.436 6.472
200 H GLU 21 H GLU 21 -9.437 -5.083 7.770
201 HA GLU 21 HA GLU 21 -9.298 -7.566 9.336
202 HB2 GLU 21 HB2 GLU 21 -10.700 -5.467 9.909
203 HB3 GLU 21 HB3 GLU 21 -11.801 -6.012 8.645
204 HG2 GLU 21 HG2 GLU 21 -12.017 -8.202 9.821
205 HG3 GLU 21 HG3 GLU 21 -10.986 -7.584 11.108
206 H LYS 22 H LYS 22 -8.973 -7.343 6.299
207 HA LYS 22 HA LYS 22 -9.492 -8.677 4.454
208 HB2 LYS 22 HB2 LYS 22 -11.081 -10.390 6.369
209 HB3 LYS 22 HB3 LYS 22 -10.396 -10.860 4.816
210 HG2 LYS 22 HG2 LYS 22 -8.803 -10.006 7.248
211 HG3 LYS 22 HG3 LYS 22 -8.987 -11.654 6.661
212 HD2 LYS 22 HD2 LYS 22 -8.031 -10.808 4.435
213 HD3 LYS 22 HD3 LYS 22 -7.553 -9.362 5.325
214 HE2 LYS 22 HE2 LYS 22 -5.653 -10.598 5.661
215 HE3 LYS 22 HE3 LYS 22 -6.600 -11.201 7.021
216 HZ1 LYS 22 HZ1 LYS 22 -6.262 -13.198 6.126
217 HZ2 LYS 22 HZ2 LYS 22 -5.750 -12.557 4.637
218 HZ3 LYS 22 HZ3 LYS 22 -7.408 -12.757 4.956
219 H GLY 23 H GLY 23 -10.849 -6.541 4.253
220 HA2 GLY 23 HA2 GLY 23 -12.813 -6.062 2.872
221 HA3 GLY 23 HA3 GLY 23 -13.647 -7.395 3.672
222 H GLY 24 H GLY 24 -11.799 -5.502 5.817
223 HA2 GLY 24 HA2 GLY 24 -14.120 -4.647 7.282
224 HA3 GLY 24 HA3 GLY 24 -12.469 -4.100 7.580
225 HA PRO 25 HA PRO 25 -15.352 -0.871 5.399
226 HB2 PRO 25 HB2 PRO 25 -15.380 0.837 7.619
227 HB3 PRO 25 HB3 PRO 25 -16.704 -0.229 7.115
228 HG2 PRO 25 HG2 PRO 25 -14.673 -0.607 9.238
229 HG3 PRO 25 HG3 PRO 25 -16.361 -1.142 9.174
230 HD2 PRO 25 HD2 PRO 25 -14.288 -2.855 8.786
231 HD3 PRO 25 HD3 PRO 25 -15.851 -3.057 7.962
232 H HIS 26 H HIS 26 -14.523 1.160 4.639
233 HA HIS 26 HA HIS 26 -11.612 1.466 5.041
234 HB2 HIS 26 HB2 HIS 26 -13.394 3.145 3.265
235 HB3 HIS 26 HB3 HIS 26 -11.656 2.883 3.119
236 HD1 HIS 26 HD1 HIS 26 -10.859 0.675 2.040
237 HD2 HIS 26 HD2 HIS 26 -15.009 0.972 2.331
238 HE1 HIS 26 HE1 HIS 26 -11.816 -1.191 0.613
239 HE2 HIS 26 HE2 HIS 26 -14.340 -1.024 0.793
240 H LYS 27 H LYS 27 -11.259 2.523 7.004
241 HA LYS 27 HA LYS 27 -12.922 4.568 8.096
242 HB2 LYS 27 HB2 LYS 27 -11.127 3.310 9.344
243 HB3 LYS 27 HB3 LYS 27 -9.927 4.277 8.486
244 HG2 LYS 27 HG2 LYS 27 -10.877 6.335 9.414
245 HG3 LYS 27 HG3 LYS 27 -12.143 5.409 10.217
246 HD2 LYS 27 HD2 LYS 27 -10.405 5.891 11.842
247 HD3 LYS 27 HD3 LYS 27 -10.366 4.167 11.474
248 HE2 LYS 27 HE2 LYS 27 -8.356 4.306 10.368
249 HE3 LYS 27 HE3 LYS 27 -8.669 5.940 9.784
250 HZ1 LYS 27 HZ1 LYS 27 -6.928 5.899 11.467
251 HZ2 LYS 27 HZ2 LYS 27 -8.007 5.213 12.587
252 HZ3 LYS 27 HZ3 LYS 27 -8.273 6.786 11.999
253 H VAL 28 H VAL 28 -10.145 4.689 5.907
254 HA VAL 28 HA VAL 28 -11.005 7.328 4.944
255 HB VAL 28 HB VAL 28 -8.412 6.902 6.442
256 HG11 VAL 28 HG11 VAL 28 -9.087 8.938 4.311
257 HG12 VAL 28 HG12 VAL 28 -7.677 7.883 4.394
258 HG13 VAL 28 HG13 VAL 28 -7.840 9.227 5.523
259 HG21 VAL 28 HG21 VAL 28 -10.664 8.924 6.541
260 HG22 VAL 28 HG22 VAL 28 -9.135 9.149 7.389
261 HG23 VAL 28 HG23 VAL 28 -10.181 7.792 7.803
262 H GLY 29 H GLY 29 -7.883 5.605 4.887
263 HA2 GLY 29 HA2 GLY 29 -7.694 5.853 2.015
264 HA3 GLY 29 HA3 GLY 29 -6.604 4.916 3.039
265 HA PRO 30 HA PRO 30 -9.961 2.304 0.690
266 HB2 PRO 30 HB2 PRO 30 -8.307 1.389 -1.341
267 HB3 PRO 30 HB3 PRO 30 -9.481 2.700 -1.500
268 HG2 PRO 30 HG2 PRO 30 -6.547 2.825 -1.137
269 HG3 PRO 30 HG3 PRO 30 -7.624 3.896 -2.047
270 HD2 PRO 30 HD2 PRO 30 -6.581 4.571 0.386
271 HD3 PRO 30 HD3 PRO 30 -8.150 5.171 -0.192
272 H ASN 31 H ASN 31 -10.032 0.035 0.912
273 HA ASN 31 HA ASN 31 -8.094 -1.173 2.665
274 HB2 ASN 31 HB2 ASN 31 -10.530 -1.882 2.359
275 HB3 ASN 31 HB3 ASN 31 -10.023 -2.655 0.856
276 HD21 ASN 31 HD21 ASN 31 -10.983 -4.456 2.608
277 HD22 ASN 31 HD22 ASN 31 -9.748 -5.301 3.409
278 H LEU 32 H LEU 32 -6.334 -2.512 2.133
279 HA LEU 32 HA LEU 32 -5.106 -2.106 -0.412
280 HB2 LEU 32 HB2 LEU 32 -4.580 -4.180 1.735
281 HB3 LEU 32 HB3 LEU 32 -3.587 -4.015 0.295
282 HG LEU 32 HG LEU 32 -2.854 -2.819 2.498
283 HD11 LEU 32 HD11 LEU 32 -1.534 -2.359 0.628
284 HD12 LEU 32 HD12 LEU 32 -2.157 -0.760 1.044
285 HD13 LEU 32 HD13 LEU 32 -2.882 -1.676 -0.278
286 HD21 LEU 32 HD21 LEU 32 -4.803 -0.777 1.393
287 HD22 LEU 32 HD22 LEU 32 -3.708 -0.557 2.751
288 HD23 LEU 32 HD23 LEU 32 -5.040 -1.698 2.879
289 H HIS 33 H HIS 33 -7.173 -4.646 0.847
290 HA HIS 33 HA HIS 33 -6.898 -6.581 -1.190
291 HB2 HIS 33 HB2 HIS 33 -9.430 -5.679 0.228
292 HB3 HIS 33 HB3 HIS 33 -9.242 -7.193 -0.657
293 HD1 HIS 33 HD1 HIS 33 -7.532 -5.375 2.238
294 HD2 HIS 33 HD2 HIS 33 -8.364 -9.243 0.937
295 HE1 HIS 33 HE1 HIS 33 -6.703 -6.934 4.055
296 HE2 HIS 33 HE2 HIS 33 -7.214 -9.295 3.278
297 H GLY 34 H GLY 34 -8.500 -3.484 -1.127
298 HA2 GLY 34 HA2 GLY 34 -9.954 -3.851 -3.619
299 HA3 GLY 34 HA3 GLY 34 -9.733 -2.325 -2.765
300 H ILE 35 H ILE 35 -6.855 -2.375 -2.713
301 HA ILE 35 HA ILE 35 -6.295 -1.118 -5.189
302 HB ILE 35 HB ILE 35 -4.332 -2.416 -3.280
303 HG12 ILE 35 HG12 ILE 35 -5.452 0.401 -3.445
304 HG13 ILE 35 HG13 ILE 35 -5.736 -0.764 -2.151
305 HG21 ILE 35 HG21 ILE 35 -3.980 -1.216 -5.832
306 HG22 ILE 35 HG22 ILE 35 -2.734 -1.731 -4.705
307 HG23 ILE 35 HG23 ILE 35 -3.354 -0.082 -4.643
308 HD11 ILE 35 HD11 ILE 35 -2.972 -0.689 -2.333
309 HD12 ILE 35 HD12 ILE 35 -3.942 0.163 -1.129
310 HD13 ILE 35 HD13 ILE 35 -3.437 0.990 -2.603
311 H PHE 36 H PHE 36 -5.802 -4.486 -4.179
312 HA PHE 36 HA PHE 36 -4.550 -5.096 -6.782
313 HB2 PHE 36 HB2 PHE 36 -5.321 -6.963 -4.514
314 HB3 PHE 36 HB3 PHE 36 -4.283 -7.357 -5.885
315 HD1 PHE 36 HD1 PHE 36 -2.129 -5.958 -6.205
316 HD2 PHE 36 HD2 PHE 36 -4.414 -5.985 -2.565
317 HE1 PHE 36 HE1 PHE 36 -0.174 -5.067 -4.966
318 HE2 PHE 36 HE2 PHE 36 -2.457 -5.097 -1.335
319 HZ PHE 36 HZ PHE 36 -0.342 -4.632 -2.528
320 H GLY 37 H GLY 37 -5.754 -5.671 -8.519
321 HA2 GLY 37 HA2 GLY 37 -8.037 -7.416 -8.364
322 HA3 GLY 37 HA3 GLY 37 -8.565 -5.744 -8.563
323 H ARG 38 H ARG 38 -9.035 -5.379 -10.679
324 HA ARG 38 HA ARG 38 -7.432 -6.795 -12.745
325 HB2 ARG 38 HB2 ARG 38 -9.278 -5.797 -14.274
326 HB3 ARG 38 HB3 ARG 38 -9.709 -7.126 -13.200
327 HG2 ARG 38 HG2 ARG 38 -11.140 -5.838 -12.018
328 HG3 ARG 38 HG3 ARG 38 -9.980 -4.515 -11.910
329 HD2 ARG 38 HD2 ARG 38 -10.622 -3.625 -14.006
330 HD3 ARG 38 HD3 ARG 38 -11.451 -5.108 -14.476
331 HE ARG 38 HE ARG 38 -12.593 -2.958 -12.909
332 HH11 ARG 38 HH21 ARG 38 -12.487 -6.369 -13.398
333 HH12 ARG 38 HH22 ARG 38 -14.086 -6.641 -12.793
334 HH21 ARG 38 HH11 ARG 38 -14.685 -3.293 -12.117
335 HH22 ARG 38 HH12 ARG 38 -15.330 -4.899 -12.068
336 H HIS 39 H HIS 39 -8.557 -3.476 -11.958
337 HA HIS 39 HA HIS 39 -6.265 -2.474 -13.606
338 HB2 HIS 39 HB2 HIS 39 -9.019 -1.223 -13.340
339 HB3 HIS 39 HB3 HIS 39 -7.668 -0.548 -14.249
340 HD1 HIS 39 HD1 HIS 39 -10.525 -1.633 -15.385
341 HD2 HIS 39 HD2 HIS 39 -6.817 -3.518 -15.679
342 HE1 HIS 39 HE1 HIS 39 -10.677 -3.213 -17.361
343 HE2 HIS 39 HE2 HIS 39 -8.426 -4.367 -17.547
344 H SER 40 H SER 40 -5.896 -0.031 -12.975
345 HA SER 40 HA SER 40 -5.033 0.045 -10.289
346 HB2 SER 40 HB2 SER 40 -5.582 2.714 -11.110
347 HB3 SER 40 HB3 SER 40 -4.029 1.886 -11.088
348 HG SER 40 HG SER 40 -5.519 2.598 -13.182
349 H GLY 41 H GLY 41 -5.963 0.931 -8.399
350 HA2 GLY 41 HA2 GLY 41 -7.682 1.659 -6.973
351 HA3 GLY 41 HA3 GLY 41 -8.471 2.351 -8.389
352 H GLN 42 H GLN 42 -10.507 1.569 -8.380
353 HA GLN 42 HA GLN 42 -12.267 0.051 -8.594
354 HB2 GLN 42 HB2 GLN 42 -10.236 -2.163 -8.702
355 HB3 GLN 42 HB3 GLN 42 -11.822 -2.100 -9.461
356 HG2 GLN 42 HG2 GLN 42 -9.274 -0.741 -10.277
357 HG3 GLN 42 HG3 GLN 42 -10.427 -1.634 -11.269
358 HE21 GLN 42 HE21 GLN 42 -9.538 1.501 -10.157
359 HE22 GLN 42 HE22 GLN 42 -10.868 2.345 -10.790
360 H ALA 43 H ALA 43 -11.556 0.815 -5.987
361 HA ALA 43 HA ALA 43 -11.222 -1.510 -4.283
362 HB1 ALA 43 HB1 ALA 43 -10.552 0.438 -3.196
363 HB2 ALA 43 HB2 ALA 43 -12.173 0.219 -2.532
364 HB3 ALA 43 HB3 ALA 43 -11.901 1.377 -3.833
365 H GLU 44 H GLU 44 -12.867 -2.473 -2.942
366 HA GLU 44 HA GLU 44 -15.338 -2.977 -4.267
367 HB2 GLU 44 HB2 GLU 44 -14.568 -3.374 -1.362
368 HB3 GLU 44 HB3 GLU 44 -16.014 -4.049 -2.116
369 HG2 GLU 44 HG2 GLU 44 -14.577 -5.231 -3.763
370 HG3 GLU 44 HG3 GLU 44 -13.149 -4.603 -2.941
371 H GLY 45 H GLY 45 -14.486 -0.648 -1.732
372 HA2 GLY 45 HA2 GLY 45 -17.231 0.516 -2.040
373 HA3 GLY 45 HA3 GLY 45 -16.438 0.423 -0.469
374 H TYR 46 H TYR 46 -13.893 1.245 -0.984
375 HA TYR 46 HA TYR 46 -14.093 4.068 -1.084
376 HB2 TYR 46 HB2 TYR 46 -12.154 2.948 -0.107
377 HB3 TYR 46 HB3 TYR 46 -11.715 2.284 -1.680
378 HD1 TYR 46 HD2 TYR 46 -10.787 3.691 -3.434
379 HD2 TYR 46 HD1 TYR 46 -11.841 5.325 0.395
380 HE1 TYR 46 HE2 TYR 46 -9.507 5.740 -3.962
381 HE2 TYR 46 HE1 TYR 46 -10.560 7.383 -0.133
382 HH TYR 46 HH TYR 46 -8.323 7.590 -2.534
383 H SER 47 H SER 47 -13.521 5.571 -2.750
384 HA SER 47 HA SER 47 -13.660 4.438 -5.520
385 HB2 SER 47 HB2 SER 47 -15.683 5.745 -4.838
386 HB3 SER 47 HB3 SER 47 -14.649 7.144 -4.571
387 HG SER 47 HG SER 47 -14.890 7.488 -6.625
388 H TYR 48 H TYR 48 -12.133 5.206 -6.991
389 HA TYR 48 HA TYR 48 -9.999 6.932 -5.826
390 HB2 TYR 48 HB2 TYR 48 -9.958 5.080 -8.226
391 HB3 TYR 48 HB3 TYR 48 -8.603 6.074 -7.700
392 HD1 TYR 48 HD2 TYR 48 -10.754 3.197 -6.821
393 HD2 TYR 48 HD1 TYR 48 -7.318 5.532 -5.732
394 HE1 TYR 48 HE2 TYR 48 -10.077 1.453 -5.193
395 HE2 TYR 48 HE1 TYR 48 -6.647 3.786 -4.107
396 HH TYR 48 HH TYR 48 -8.629 0.861 -3.628
397 H THR 49 H THR 49 -9.013 8.536 -7.276
398 HA THR 49 HA THR 49 -11.039 10.123 -8.617
399 HB THR 49 HB THR 49 -9.488 11.790 -8.504
400 HG1 THR 49 HG1 THR 49 -7.705 11.648 -9.638
401 HG21 THR 49 HG21 THR 49 -9.195 10.349 -6.373
402 HG22 THR 49 HG22 THR 49 -7.942 11.535 -6.741
403 HG23 THR 49 HG23 THR 49 -7.677 9.829 -7.107
404 H ASP 50 H ASP 50 -10.771 10.827 -10.916
405 HA ASP 50 HA ASP 50 -10.702 8.635 -12.706
406 HB2 ASP 50 HB2 ASP 50 -10.272 11.594 -13.211
407 HB3 ASP 50 HB3 ASP 50 -10.482 10.398 -14.489
408 H ALA 51 H ALA 51 -8.140 10.687 -11.482
409 HA ALA 51 HA ALA 51 -6.139 10.231 -13.407
410 HB1 ALA 51 HB1 ALA 51 -5.906 10.518 -10.401
411 HB2 ALA 51 HB2 ALA 51 -5.783 11.803 -11.602
412 HB3 ALA 51 HB3 ALA 51 -4.530 10.566 -11.505
413 H ASN 52 H ASN 52 -6.723 8.274 -10.439
414 HA ASN 52 HA ASN 52 -4.772 6.277 -11.106
415 HB2 ASN 52 HB2 ASN 52 -5.905 6.624 -8.854
416 HB3 ASN 52 HB3 ASN 52 -7.301 5.784 -9.529
417 HD21 ASN 52 HD21 ASN 52 -7.277 3.603 -8.992
418 HD22 ASN 52 HD22 ASN 52 -5.882 2.650 -8.835
419 H ILE 53 H ILE 53 -8.282 6.424 -11.695
420 HA ILE 53 HA ILE 53 -8.478 3.862 -12.964
421 HB ILE 53 HB ILE 53 -10.232 6.308 -13.314
422 HG12 ILE 53 HG12 ILE 53 -10.504 3.938 -11.437
423 HG13 ILE 53 HG13 ILE 53 -9.941 5.537 -10.950
424 HG21 ILE 53 HG21 ILE 53 -10.634 4.662 -15.062
425 HG22 ILE 53 HG22 ILE 53 -11.955 4.589 -13.897
426 HG23 ILE 53 HG23 ILE 53 -10.689 3.362 -13.870
427 HD11 ILE 53 HD11 ILE 53 -12.091 6.126 -10.642
428 HD12 ILE 53 HD12 ILE 53 -12.655 4.607 -11.338
429 HD13 ILE 53 HD13 ILE 53 -12.322 5.986 -12.385
430 H LYS 54 H LYS 54 -8.270 7.141 -14.417
431 HA LYS 54 HA LYS 54 -8.345 6.305 -17.110
432 HB2 LYS 54 HB2 LYS 54 -7.004 8.679 -15.810
433 HB3 LYS 54 HB3 LYS 54 -7.070 8.453 -17.555
434 HG2 LYS 54 HG2 LYS 54 -9.564 8.282 -17.386
435 HG3 LYS 54 HG3 LYS 54 -9.434 8.685 -15.675
436 HD2 LYS 54 HD2 LYS 54 -8.334 10.817 -16.256
437 HD3 LYS 54 HD3 LYS 54 -8.466 10.417 -17.968
438 HE2 LYS 54 HE2 LYS 54 -10.588 11.160 -18.036
439 HE3 LYS 54 HE3 LYS 54 -11.038 10.124 -16.682
440 HZ1 LYS 54 HZ1 LYS 54 -10.680 12.898 -16.697
441 HZ2 LYS 54 HZ2 LYS 54 -9.476 12.227 -15.703
442 HZ3 LYS 54 HZ3 LYS 54 -11.115 11.904 -15.394
443 H LYS 55 H LYS 55 -5.623 6.420 -14.860
444 HA LYS 55 HA LYS 55 -3.534 6.058 -16.739
445 HB2 LYS 55 HB2 LYS 55 -3.196 6.486 -14.290
446 HB3 LYS 55 HB3 LYS 55 -3.700 4.828 -13.969
447 HG2 LYS 55 HG2 LYS 55 -1.362 4.641 -14.037
448 HG3 LYS 55 HG3 LYS 55 -1.825 4.183 -15.673
449 HD2 LYS 55 HD2 LYS 55 -1.354 6.459 -16.470
450 HD3 LYS 55 HD3 LYS 55 -0.956 6.964 -14.829
451 HE2 LYS 55 HE2 LYS 55 0.965 5.538 -14.763
452 HE3 LYS 55 HE3 LYS 55 0.478 4.704 -16.239
453 HZ1 LYS 55 HZ1 LYS 55 2.100 6.214 -16.913
454 HZ2 LYS 55 HZ2 LYS 55 1.492 7.464 -15.937
455 HZ3 LYS 55 HZ3 LYS 55 0.642 6.976 -17.324
456 H ASN 56 H ASN 56 -5.846 3.781 -15.379
457 HA ASN 56 HA ASN 56 -6.309 1.555 -15.938
458 HB2 ASN 56 HB2 ASN 56 -6.447 2.693 -18.224
459 HB3 ASN 56 HB3 ASN 56 -4.806 2.106 -18.504
460 HD21 ASN 56 HD21 ASN 56 -5.799 -0.286 -16.614
461 HD22 ASN 56 HD22 ASN 56 -6.557 -1.314 -17.731
462 H VAL 57 H VAL 57 -4.188 1.762 -14.272
463 HA VAL 57 HA VAL 57 -2.189 -0.145 -15.405
464 HB VAL 57 HB VAL 57 -1.247 2.097 -14.822
465 HG11 VAL 57 HG11 VAL 57 -2.004 1.322 -11.989
466 HG12 VAL 57 HG12 VAL 57 -2.866 2.523 -12.951
467 HG13 VAL 57 HG13 VAL 57 -1.185 2.799 -12.496
468 HG21 VAL 57 HG21 VAL 57 -0.387 -0.202 -13.035
469 HG22 VAL 57 HG22 VAL 57 0.591 1.218 -13.406
470 HG23 VAL 57 HG23 VAL 57 0.163 0.082 -14.685
471 H LEU 58 H LEU 58 -1.763 -1.984 -14.191
472 HA LEU 58 HA LEU 58 -3.736 -2.605 -12.100
473 HB2 LEU 58 HB2 LEU 58 -3.247 -4.298 -13.799
474 HB3 LEU 58 HB3 LEU 58 -1.544 -4.279 -13.355
475 HG LEU 58 HG LEU 58 -2.100 -5.074 -11.098
476 HD11 LEU 58 HD11 LEU 58 -4.621 -5.929 -10.990
477 HD12 LEU 58 HD12 LEU 58 -4.869 -4.587 -12.108
478 HD13 LEU 58 HD13 LEU 58 -4.188 -4.289 -10.509
479 HD21 LEU 58 HD21 LEU 58 -2.665 -6.531 -13.561
480 HD22 LEU 58 HD22 LEU 58 -3.571 -7.178 -12.194
481 HD23 LEU 58 HD23 LEU 58 -1.812 -7.071 -12.114
482 H TRP 59 H TRP 59 -3.280 -2.766 -9.938
483 HA TRP 59 HA TRP 59 -0.682 -1.744 -9.034
484 HB2 TRP 59 HB2 TRP 59 -3.264 -2.491 -7.672
485 HB3 TRP 59 HB3 TRP 59 -1.804 -2.224 -6.731
486 HD1 TRP 59 HD1 TRP 59 -4.635 -0.426 -8.151
487 HE1 TRP 59 HE1 TRP 59 -4.210 2.131 -8.146
488 HE3 TRP 59 HE3 TRP 59 0.359 -0.395 -7.180
489 HZ2 TRP 59 HZ2 TRP 59 -2.021 3.925 -7.751
490 HZ3 TRP 59 HZ3 TRP 59 1.593 1.738 -6.987
491 HH2 TRP 59 HH2 TRP 59 0.412 3.898 -7.264
492 H ASP 60 H ASP 60 0.950 -2.974 -8.195
493 HA ASP 60 HA ASP 60 0.435 -5.728 -7.309
494 HB2 ASP 60 HB2 ASP 60 2.178 -6.681 -8.810
495 HB3 ASP 60 HB3 ASP 60 0.786 -6.077 -9.701
496 H GLU 61 H GLU 61 2.734 -6.686 -6.685
497 HA GLU 61 HA GLU 61 3.773 -5.007 -4.651
498 HB2 GLU 61 HB2 GLU 61 5.011 -7.407 -6.016
499 HB3 GLU 61 HB3 GLU 61 5.673 -6.647 -4.568
500 HG2 GLU 61 HG2 GLU 61 3.521 -7.043 -3.397
501 HG3 GLU 61 HG3 GLU 61 2.908 -7.861 -4.835
502 H ASN 62 H ASN 62 4.917 -5.531 -7.973
503 HA ASN 62 HA ASN 62 7.370 -4.080 -7.708
504 HB2 ASN 62 HB2 ASN 62 6.571 -5.556 -9.665
505 HB3 ASN 62 HB3 ASN 62 5.692 -4.133 -10.218
506 HD21 ASN 62 HD21 ASN 62 7.225 -4.213 -12.134
507 HD22 ASN 62 HD22 ASN 62 8.768 -3.526 -11.968
508 H ASN 63 H ASN 63 4.148 -3.052 -8.783
509 HA ASN 63 HA ASN 63 4.792 -0.315 -9.249
510 HB2 ASN 63 HB2 ASN 63 2.154 -1.523 -8.359
511 HB3 ASN 63 HB3 ASN 63 2.362 0.081 -9.061
512 HD21 ASN 63 HD21 ASN 63 0.969 -2.502 -10.087
513 HD22 ASN 63 HD22 ASN 63 1.600 -2.698 -11.649
514 H MET 64 H MET 64 3.801 -2.038 -6.320
515 HA MET 64 HA MET 64 3.344 0.231 -4.670
516 HB2 MET 64 HB2 MET 64 4.292 -2.567 -4.025
517 HB3 MET 64 HB3 MET 64 3.914 -1.371 -2.782
518 HG2 MET 64 HG2 MET 64 1.996 -2.232 -4.958
519 HG3 MET 64 HG3 MET 64 1.988 -2.887 -3.322
520 HE1 MET 64 HE1 MET 64 -0.209 -1.956 -4.733
521 HE2 MET 64 HE2 MET 64 -0.811 -0.308 -4.578
522 HE3 MET 64 HE3 MET 64 -1.007 -1.441 -3.242
523 H SER 65 H SER 65 6.359 -1.490 -5.453
524 HA SER 65 HA SER 65 8.004 -0.127 -3.555
525 HB2 SER 65 HB2 SER 65 9.879 -0.850 -4.910
526 HB3 SER 65 HB3 SER 65 8.685 -2.144 -4.904
527 HG SER 65 HG SER 65 8.300 -1.801 -6.961
528 H GLU 66 H GLU 66 7.035 0.675 -6.868
529 HA GLU 66 HA GLU 66 8.626 3.090 -7.000
530 HB2 GLU 66 HB2 GLU 66 6.225 2.164 -8.601
531 HB3 GLU 66 HB3 GLU 66 7.198 3.578 -8.993
532 HG2 GLU 66 HG2 GLU 66 9.210 2.131 -9.155
533 HG3 GLU 66 HG3 GLU 66 8.198 0.722 -8.834
534 H TYR 67 H TYR 67 5.371 2.291 -5.951
535 HA TYR 67 HA TYR 67 4.249 4.885 -5.896
536 HB2 TYR 67 HB2 TYR 67 2.857 2.949 -5.576
537 HB3 TYR 67 HB3 TYR 67 3.766 2.454 -4.156
538 HD1 TYR 67 HD1 TYR 67 2.419 5.841 -5.117
539 HD2 TYR 67 HD2 TYR 67 2.285 2.547 -2.365
540 HE1 TYR 67 HE1 TYR 67 0.878 7.119 -3.659
541 HE2 TYR 67 HE2 TYR 67 0.742 3.825 -0.912
542 HH TYR 67 HH TYR 67 -0.244 7.148 -1.752
543 H LEU 68 H LEU 68 6.084 3.179 -3.333
544 HA LEU 68 HA LEU 68 5.917 5.472 -1.552
545 HB2 LEU 68 HB2 LEU 68 7.387 2.853 -1.508
546 HB3 LEU 68 HB3 LEU 68 7.777 4.113 -0.338
547 HG LEU 68 HG LEU 68 5.369 4.227 0.291
548 HD11 LEU 68 HD11 LEU 68 3.970 2.240 -0.469
549 HD12 LEU 68 HD12 LEU 68 5.209 1.951 -1.692
550 HD13 LEU 68 HD13 LEU 68 4.299 3.460 -1.696
551 HD21 LEU 68 HD21 LEU 68 6.867 2.821 1.614
552 HD22 LEU 68 HD22 LEU 68 6.662 1.489 0.475
553 HD23 LEU 68 HD23 LEU 68 5.301 2.025 1.460
554 H THR 69 H THR 69 8.400 4.153 -3.723
555 HA THR 69 HA THR 69 10.404 6.093 -2.952
556 HB THR 69 HB THR 69 11.658 5.284 -4.871
557 HG1 THR 69 HG1 THR 69 9.144 4.223 -5.604
558 HG21 THR 69 HG21 THR 69 12.045 3.535 -3.504
559 HG22 THR 69 HG22 THR 69 10.820 2.663 -4.424
560 HG23 THR 69 HG23 THR 69 10.372 3.514 -2.946
561 H ASN 70 H ASN 70 8.014 5.945 -5.590
562 HA ASN 70 HA ASN 70 8.438 8.870 -5.968
563 HB2 ASN 70 HB2 ASN 70 8.257 6.853 -8.226
564 HB3 ASN 70 HB3 ASN 70 8.384 8.604 -8.409
565 HD21 ASN 70 HD21 ASN 70 10.341 9.186 -6.439
566 HD22 ASN 70 HD22 ASN 70 11.803 8.446 -6.877
567 H HIS 71 H HIS 71 6.485 9.832 -5.697
568 HA HIS 71 HA HIS 71 4.103 8.621 -6.950
569 HB2 HIS 71 HB2 HIS 71 2.866 9.098 -4.705
570 HB3 HIS 71 HB3 HIS 71 3.808 7.618 -4.857
571 HD1 HIS 71 HD1 HIS 71 3.268 10.147 -2.492
572 HD2 HIS 71 HD2 HIS 71 6.740 8.369 -3.973
573 HE1 HIS 71 HE1 HIS 71 5.090 10.600 -0.791
574 HE2 HIS 71 HE2 HIS 71 7.206 9.523 -1.683
575 H ALA 72 H ALA 72 2.733 10.194 -7.709
576 HA ALA 72 HA ALA 72 2.040 12.642 -6.667
577 HB1 ALA 72 HB1 ALA 72 3.743 14.086 -8.153
578 HB2 ALA 72 HB2 ALA 72 4.796 12.709 -7.822
579 HB3 ALA 72 HB3 ALA 72 4.113 13.641 -6.488
580 H LYS 73 H LYS 73 3.544 13.200 -9.725
581 HA LYS 73 HA LYS 73 1.080 13.635 -11.072
582 HB2 LYS 73 HB2 LYS 73 3.305 14.515 -11.812
583 HB3 LYS 73 HB3 LYS 73 3.731 12.885 -12.336
584 HG2 LYS 73 HG2 LYS 73 1.759 12.876 -13.846
585 HG3 LYS 73 HG3 LYS 73 1.400 14.534 -13.358
586 HD2 LYS 73 HD2 LYS 73 3.688 15.198 -14.153
587 HD3 LYS 73 HD3 LYS 73 3.893 13.562 -14.781
588 HE2 LYS 73 HE2 LYS 73 1.355 14.623 -15.648
589 HE3 LYS 73 HE3 LYS 73 2.647 15.746 -16.074
590 HZ1 LYS 73 HZ1 LYS 73 2.603 12.841 -16.691
591 HZ2 LYS 73 HZ2 LYS 73 3.852 13.919 -17.096
592 HZ3 LYS 73 HZ3 LYS 73 2.315 14.092 -17.800
593 H TYR 74 H TYR 74 3.087 10.753 -10.791
594 HA TYR 74 HA TYR 74 1.933 9.138 -12.791
595 HB2 TYR 74 HB2 TYR 74 3.799 8.200 -11.770
596 HB3 TYR 74 HB3 TYR 74 3.237 8.596 -10.147
597 HD1 TYR 74 HD1 TYR 74 1.496 6.853 -12.973
598 HD2 TYR 74 HD2 TYR 74 3.052 6.593 -8.983
599 HE1 TYR 74 HE1 TYR 74 0.524 4.580 -12.741
600 HE2 TYR 74 HE2 TYR 74 2.087 4.323 -8.749
601 HH TYR 74 HH TYR 74 1.028 2.661 -9.781
602 H ILE 75 H ILE 75 0.843 9.630 -9.429
603 HA ILE 75 HA ILE 75 -1.752 8.331 -10.196
604 HB ILE 75 HB ILE 75 -1.713 8.144 -7.481
605 HG12 ILE 75 HG12 ILE 75 1.155 7.738 -8.360
606 HG13 ILE 75 HG13 ILE 75 0.588 9.164 -7.492
607 HG21 ILE 75 HG21 ILE 75 -0.791 6.331 -9.687
608 HG22 ILE 75 HG22 ILE 75 -2.184 6.164 -8.617
609 HG23 ILE 75 HG23 ILE 75 -0.565 5.809 -8.020
610 HD11 ILE 75 HD11 ILE 75 0.690 6.308 -6.538
611 HD12 ILE 75 HD12 ILE 75 -0.364 7.492 -5.766
612 HD13 ILE 75 HD13 ILE 75 1.381 7.745 -5.786
613 HA PRO 76 HA PRO 76 -4.226 11.843 -9.222
614 HB2 PRO 76 HB2 PRO 76 -5.187 10.816 -6.662
615 HB3 PRO 76 HB3 PRO 76 -6.084 11.073 -8.166
616 HG2 PRO 76 HG2 PRO 76 -4.991 8.616 -7.086
617 HG3 PRO 76 HG3 PRO 76 -6.101 8.849 -8.444
618 HD2 PRO 76 HD2 PRO 76 -3.514 7.986 -8.746
619 HD3 PRO 76 HD3 PRO 76 -4.398 8.864 -10.005
620 H GLY 77 H GLY 77 -4.213 13.721 -7.808
621 HA2 GLY 77 HA2 GLY 77 -1.716 14.174 -6.465
622 HA3 GLY 77 HA3 GLY 77 -3.113 15.250 -6.404
623 H THR 78 H THR 78 -3.631 11.969 -5.442
624 HA THR 78 HA THR 78 -4.653 12.602 -2.900
625 HB THR 78 HB THR 78 -4.796 10.383 -4.203
626 HG1 THR 78 HG1 THR 78 -4.229 10.451 -1.426
627 HG21 THR 78 HG21 THR 78 -2.369 9.643 -2.583
628 HG22 THR 78 HG22 THR 78 -2.186 10.295 -4.213
629 HG23 THR 78 HG23 THR 78 -3.083 8.798 -3.956
630 H LYS 79 H LYS 79 -3.712 13.071 -0.963
631 HA LYS 79 HA LYS 79 -0.735 12.898 -0.802
632 HB2 LYS 79 HB2 LYS 79 -2.720 14.541 0.805
633 HB3 LYS 79 HB3 LYS 79 -0.975 14.532 1.068
634 HG2 LYS 79 HG2 LYS 79 -0.655 15.275 -1.295
635 HG3 LYS 79 HG3 LYS 79 -2.408 15.394 -1.461
636 HD2 LYS 79 HD2 LYS 79 -2.436 17.004 0.451
637 HD3 LYS 79 HD3 LYS 79 -0.673 16.949 0.479
638 HE2 LYS 79 HE2 LYS 79 -0.505 17.925 -1.688
639 HE3 LYS 79 HE3 LYS 79 -2.217 17.662 -2.019
640 HZ1 LYS 79 HZ1 LYS 79 -2.041 19.149 0.324
641 HZ2 LYS 79 HZ2 LYS 79 -2.624 19.655 -1.190
642 HZ3 LYS 79 HZ3 LYS 79 -0.986 19.872 -0.790
643 H MET 80 H MET 80 0.184 11.586 0.769
644 HA MET 80 HA MET 80 -1.724 10.177 2.593
645 HB2 MET 80 HB2 MET 80 -0.568 8.843 0.716
646 HB3 MET 80 HB3 MET 80 0.918 9.061 1.638
647 HG2 MET 80 HG2 MET 80 0.234 7.661 3.337
648 HG3 MET 80 HG3 MET 80 -1.473 8.037 3.116
649 HE1 MET 80 HE1 MET 80 1.158 5.072 2.305
650 HE2 MET 80 HE2 MET 80 1.616 6.693 1.790
651 HE3 MET 80 HE3 MET 80 1.245 5.467 0.583
652 H ALA 81 H ALA 81 -1.309 10.338 4.741
653 HA ALA 81 HA ALA 81 0.834 12.059 5.670
654 HB1 ALA 81 HB1 ALA 81 -0.166 10.766 7.909
655 HB2 ALA 81 HB2 ALA 81 -1.533 10.753 6.795
656 HB3 ALA 81 HB3 ALA 81 -0.775 12.281 7.244
657 H PHE 82 H PHE 82 0.666 8.731 4.945
658 HA PHE 82 HA PHE 82 2.278 7.532 6.913
659 HB2 PHE 82 HB2 PHE 82 1.209 6.276 5.071
660 HB3 PHE 82 HB3 PHE 82 2.346 6.995 3.930
661 HD1 PHE 82 HD1 PHE 82 2.075 4.804 6.923
662 HD2 PHE 82 HD2 PHE 82 4.583 6.182 3.715
663 HE1 PHE 82 HE1 PHE 82 3.748 3.058 7.478
664 HE2 PHE 82 HE2 PHE 82 6.253 4.436 4.274
665 HZ PHE 82 HZ PHE 82 5.834 2.876 6.152
666 H GLY 83 H GLY 83 3.327 9.333 4.010
667 HA2 GLY 83 HA2 GLY 83 5.391 10.372 3.576
668 HA3 GLY 83 HA3 GLY 83 5.726 10.253 5.305
669 H GLY 84 H GLY 84 7.507 9.664 2.972
670 HA2 GLY 84 HA2 GLY 84 7.852 6.889 2.562
671 HA3 GLY 84 HA3 GLY 84 9.153 8.071 2.464
672 H LEU 85 H LEU 85 9.357 5.392 3.559
673 HA LEU 85 HA LEU 85 9.470 5.708 6.480
674 HB2 LEU 85 HB2 LEU 85 9.845 3.486 4.532
675 HB3 LEU 85 HB3 LEU 85 10.693 3.355 6.072
676 HG LEU 85 HG LEU 85 7.773 4.080 5.985
677 HD11 LEU 85 HD11 LEU 85 7.633 1.483 6.569
678 HD12 LEU 85 HD12 LEU 85 9.073 1.422 5.553
679 HD13 LEU 85 HD13 LEU 85 7.560 2.049 4.899
680 HD21 LEU 85 HD21 LEU 85 9.637 3.980 8.001
681 HD22 LEU 85 HD22 LEU 85 8.921 2.371 8.097
682 HD23 LEU 85 HD23 LEU 85 7.898 3.802 8.242
683 H LYS 86 H LYS 86 11.288 6.199 7.631
684 HA LYS 86 HA LYS 86 13.634 7.207 6.343
685 HB2 LYS 86 HB2 LYS 86 13.396 6.140 9.177
686 HB3 LYS 86 HB3 LYS 86 14.616 7.263 8.578
687 HG2 LYS 86 HG2 LYS 86 11.636 7.828 8.612
688 HG3 LYS 86 HG3 LYS 86 12.774 8.404 9.829
689 HD2 LYS 86 HD2 LYS 86 14.083 9.443 7.872
690 HD3 LYS 86 HD3 LYS 86 12.637 9.146 6.903
691 HE2 LYS 86 HE2 LYS 86 11.415 10.327 8.922
692 HE3 LYS 86 HE3 LYS 86 13.011 11.017 9.214
693 HZ1 LYS 86 HZ1 LYS 86 13.054 11.853 6.973
694 HZ2 LYS 86 HZ2 LYS 86 11.641 12.396 7.745
695 HZ3 LYS 86 HZ3 LYS 86 11.564 11.122 6.623
696 H LYS 87 H LYS 87 12.763 4.031 7.612
697 HA LYS 87 HA LYS 87 15.434 2.984 6.814
698 HB2 LYS 87 HB2 LYS 87 13.178 1.713 8.396
699 HB3 LYS 87 HB3 LYS 87 14.711 0.925 8.020
700 HG2 LYS 87 HG2 LYS 87 15.904 2.784 9.187
701 HG3 LYS 87 HG3 LYS 87 14.339 3.455 9.649
702 HD2 LYS 87 HD2 LYS 87 13.797 1.295 10.784
703 HD3 LYS 87 HD3 LYS 87 15.428 0.732 10.416
704 HE2 LYS 87 HE2 LYS 87 14.535 2.514 12.536
705 HE3 LYS 87 HE3 LYS 87 16.085 1.697 12.344
706 HZ1 LYS 87 HZ1 LYS 87 15.282 4.193 10.950
707 HZ2 LYS 87 HZ2 LYS 87 16.789 3.418 10.827
708 HZ3 LYS 87 HZ3 LYS 87 16.306 4.115 12.300
709 H GLU 88 H GLU 88 15.434 2.473 4.682
710 HA GLU 88 HA GLU 88 13.128 1.798 3.140
711 HB2 GLU 88 HB2 GLU 88 15.283 2.643 2.195
712 HB3 GLU 88 HB3 GLU 88 16.014 1.081 2.557
713 HG2 GLU 88 HG2 GLU 88 14.284 -0.021 1.139
714 HG3 GLU 88 HG3 GLU 88 13.658 1.573 0.714
715 H LYS 89 H LYS 89 15.464 -0.217 4.897
716 HA LYS 89 HA LYS 89 14.753 -2.728 3.803
717 HB2 LYS 89 HB2 LYS 89 15.606 -2.021 6.625
718 HB3 LYS 89 HB3 LYS 89 15.560 -3.656 5.971
719 HG2 LYS 89 HG2 LYS 89 17.133 -2.943 4.170
720 HG3 LYS 89 HG3 LYS 89 17.243 -1.360 4.938
721 HD2 LYS 89 HD2 LYS 89 18.033 -2.478 7.031
722 HD3 LYS 89 HD3 LYS 89 18.036 -4.015 6.166
723 HE2 LYS 89 HE2 LYS 89 19.696 -1.564 5.518
724 HE3 LYS 89 HE3 LYS 89 20.285 -3.117 6.108
725 HZ1 LYS 89 HZ1 LYS 89 19.610 -2.322 3.445
726 HZ2 LYS 89 HZ2 LYS 89 18.824 -3.757 3.901
727 HZ3 LYS 89 HZ3 LYS 89 20.518 -3.652 3.977
728 H ASP 90 H ASP 90 13.321 -0.945 6.532
729 HA ASP 90 HA ASP 90 11.393 -2.932 7.231
730 HB2 ASP 90 HB2 ASP 90 11.344 0.085 7.526
731 HB3 ASP 90 HB3 ASP 90 10.170 -0.998 8.267
732 H ARG 91 H ARG 91 11.379 -0.299 4.878
733 HA ARG 91 HA ARG 91 8.646 -0.342 4.155
734 HB2 ARG 91 HB2 ARG 91 10.271 1.356 3.374
735 HB3 ARG 91 HB3 ARG 91 11.040 0.137 2.360
736 HG2 ARG 91 HG2 ARG 91 8.942 -0.179 1.121
737 HG3 ARG 91 HG3 ARG 91 8.149 1.016 2.146
738 HD2 ARG 91 HD2 ARG 91 8.821 2.130 0.109
739 HD3 ARG 91 HD3 ARG 91 9.882 2.690 1.401
740 HE ARG 91 HE ARG 91 11.028 0.410 0.055
741 HH11 ARG 91 HH21 ARG 91 10.372 3.786 -0.185
742 HH12 ARG 91 HH22 ARG 91 11.710 4.106 -1.236
743 HH21 ARG 91 HH11 ARG 91 12.779 0.809 -1.318
744 HH22 ARG 91 HH12 ARG 91 13.072 2.421 -1.879
745 H ASN 92 H ASN 92 11.343 -2.325 2.940
746 HA ASN 92 HA ASN 92 9.892 -3.671 0.902
747 HB2 ASN 92 HB2 ASN 92 12.206 -4.627 2.609
748 HB3 ASN 92 HB3 ASN 92 11.635 -5.439 1.153
749 HD21 ASN 92 HD21 ASN 92 14.292 -4.385 1.302
750 HD22 ASN 92 HD22 ASN 92 14.413 -3.081 0.222
751 H ASP 93 H ASP 93 10.289 -4.421 4.352
752 HA ASP 93 HA ASP 93 8.978 -6.939 4.331
753 HB2 ASP 93 HB2 ASP 93 9.148 -4.818 6.485
754 HB3 ASP 93 HB3 ASP 93 8.526 -6.444 6.752
755 H LEU 94 H LEU 94 7.676 -3.650 4.558
756 HA LEU 94 HA LEU 94 4.993 -4.372 5.184
757 HB2 LEU 94 HB2 LEU 94 6.092 -1.990 3.672
758 HB3 LEU 94 HB3 LEU 94 4.431 -2.129 4.238
759 HG LEU 94 HG LEU 94 6.888 -2.244 6.009
760 HD11 LEU 94 HD11 LEU 94 6.571 0.009 5.188
761 HD12 LEU 94 HD12 LEU 94 5.967 -0.048 6.844
762 HD13 LEU 94 HD13 LEU 94 4.837 -0.073 5.491
763 HD21 LEU 94 HD21 LEU 94 4.831 -1.779 7.674
764 HD22 LEU 94 HD22 LEU 94 5.331 -3.415 7.246
765 HD23 LEU 94 HD23 LEU 94 3.963 -2.668 6.424
766 H ILE 95 H ILE 95 6.560 -3.868 1.999
767 HA ILE 95 HA ILE 95 4.267 -4.127 0.403
768 HB ILE 95 HB ILE 95 7.046 -5.174 -0.203
769 HG12 ILE 95 HG12 ILE 95 5.799 -2.469 -0.794
770 HG13 ILE 95 HG13 ILE 95 6.953 -2.768 0.506
771 HG21 ILE 95 HG21 ILE 95 5.404 -6.002 -1.783
772 HG22 ILE 95 HG22 ILE 95 6.315 -4.706 -2.559
773 HG23 ILE 95 HG23 ILE 95 4.692 -4.397 -1.943
774 HD11 ILE 95 HD11 ILE 95 8.624 -3.522 -1.134
775 HD12 ILE 95 HD12 ILE 95 8.083 -1.886 -1.509
776 HD13 ILE 95 HD13 ILE 95 7.473 -3.253 -2.442
777 H THR 96 H THR 96 6.427 -6.701 1.598
778 HA THR 96 HA THR 96 5.058 -8.880 0.389
779 HB THR 96 HB THR 96 6.391 -8.934 3.110
780 HG1 THR 96 HG1 THR 96 7.624 -7.936 1.349
781 HG21 THR 96 HG21 THR 96 5.130 -10.908 1.567
782 HG22 THR 96 HG22 THR 96 6.195 -11.171 2.948
783 HG23 THR 96 HG23 THR 96 6.857 -11.162 1.312
784 H TYR 97 H TYR 97 4.516 -7.209 3.473
785 HA TYR 97 HA TYR 97 2.495 -8.945 4.474
786 HB2 TYR 97 HB2 TYR 97 3.620 -7.209 5.838
787 HB3 TYR 97 HB3 TYR 97 2.774 -5.961 4.927
788 HD1 TYR 97 HD2 TYR 97 2.313 -8.854 7.207
789 HD2 TYR 97 HD1 TYR 97 0.479 -5.435 5.366
790 HE1 TYR 97 HE2 TYR 97 0.346 -9.107 8.696
791 HE2 TYR 97 HE1 TYR 97 -1.489 -5.689 6.854
792 HH TYR 97 HH TYR 97 -2.534 -7.101 8.292
793 H LEU 98 H LEU 98 2.253 -6.121 2.293
794 HA LEU 98 HA LEU 98 -0.576 -5.934 2.279
795 HB2 LEU 98 HB2 LEU 98 1.272 -5.485 -0.083
796 HB3 LEU 98 HB3 LEU 98 -0.341 -4.812 0.133
797 HG LEU 98 HG LEU 98 2.132 -4.199 1.759
798 HD11 LEU 98 HD11 LEU 98 0.882 -2.998 -0.513
799 HD12 LEU 98 HD12 LEU 98 2.303 -2.445 0.373
800 HD13 LEU 98 HD13 LEU 98 0.696 -1.909 0.861
801 HD21 LEU 98 HD21 LEU 98 0.475 -4.222 3.419
802 HD22 LEU 98 HD22 LEU 98 -0.780 -3.687 2.305
803 HD23 LEU 98 HD23 LEU 98 0.436 -2.546 2.874
804 H LYS 99 H LYS 99 1.599 -8.038 0.436
805 HA LYS 99 HA LYS 99 -0.350 -9.182 -1.288
806 HB2 LYS 99 HB2 LYS 99 2.098 -9.594 -1.502
807 HB3 LYS 99 HB3 LYS 99 2.041 -10.571 -0.034
808 HG2 LYS 99 HG2 LYS 99 0.449 -12.111 -1.097
809 HG3 LYS 99 HG3 LYS 99 0.451 -11.124 -2.558
810 HD2 LYS 99 HD2 LYS 99 1.961 -12.997 -2.891
811 HD3 LYS 99 HD3 LYS 99 2.919 -11.523 -2.757
812 HE2 LYS 99 HE2 LYS 99 3.682 -12.056 -0.613
813 HE3 LYS 99 HE3 LYS 99 2.329 -13.141 -0.294
814 HZ1 LYS 99 HZ1 LYS 99 3.771 -14.740 -0.825
815 HZ2 LYS 99 HZ2 LYS 99 4.846 -13.670 -1.590
816 HZ3 LYS 99 HZ3 LYS 99 3.503 -14.278 -2.435
817 H LYS 100 H LYS 100 0.556 -9.935 2.058
818 HA LYS 100 HA LYS 100 -0.957 -12.312 2.349
819 HB2 LYS 100 HB2 LYS 100 0.625 -11.591 4.064
820 HB3 LYS 100 HB3 LYS 100 -0.343 -10.158 4.392
821 HG2 LYS 100 HG2 LYS 100 -0.804 -11.830 6.091
822 HG3 LYS 100 HG3 LYS 100 -2.231 -11.633 5.086
823 HD2 LYS 100 HD2 LYS 100 -0.377 -13.672 4.061
824 HD3 LYS 100 HD3 LYS 100 -0.971 -14.041 5.675
825 HE2 LYS 100 HE2 LYS 100 -3.328 -13.452 4.666
826 HE3 LYS 100 HE3 LYS 100 -2.532 -13.732 3.120
827 HZ1 LYS 100 HZ1 LYS 100 -2.062 -15.924 3.669
828 HZ2 LYS 100 HZ2 LYS 100 -3.641 -15.698 4.253
829 HZ3 LYS 100 HZ3 LYS 100 -2.324 -15.679 5.327
830 H ALA 101 H ALA 101 -1.947 -8.911 2.731
831 HA ALA 101 HA ALA 101 -4.595 -9.458 3.645
832 HB1 ALA 101 HB1 ALA 101 -4.766 -7.138 2.082
833 HB2 ALA 101 HB2 ALA 101 -3.104 -7.156 2.669
834 HB3 ALA 101 HB3 ALA 101 -4.443 -7.210 3.814
835 H THR 102 H THR 102 -3.215 -9.214 0.382
836 HA THR 102 HA THR 102 -5.877 -9.907 -0.757
837 HB THR 102 HB THR 102 -4.151 -8.052 -1.626
838 HG1 THR 102 HG1 THR 102 -5.895 -9.773 -2.978
839 HG21 THR 102 HG21 THR 102 -3.410 -10.425 -3.334
840 HG22 THR 102 HG22 THR 102 -2.434 -9.943 -1.946
841 HG23 THR 102 HG23 THR 102 -2.663 -8.829 -3.294
842 H GLU 103 H GLU 103 -3.367 -11.550 0.507
843 HA GLU 103 HA GLU 103 -2.448 -13.687 0.155
844 HB2 GLU 103 HB2 GLU 103 -5.171 -14.050 -1.136
845 HB3 GLU 103 HB3 GLU 103 -4.093 -15.361 -0.657
846 HG2 GLU 103 HG2 GLU 103 -4.167 -14.535 1.687
847 HG3 GLU 103 HG3 GLU 103 -5.310 -13.288 1.190
848 HHA HEC 104 HA HEC 104 -4.042 4.960 -1.990
849 HHB HEC 104 HB HEC 104 0.151 1.300 0.968
850 HHC HEC 104 HC HEC 104 -0.852 4.520 6.353
851 HHD HEC 104 HD HEC 104 -5.225 7.995 3.424
852 HMA1 HEC 104 1HMA HEC 104 0.225 0.857 -1.452
853 HMA2 HEC 104 2HMA HEC 104 -1.172 0.713 -2.516
854 HMA3 HEC 104 3HMA HEC 104 -1.261 0.110 -0.865
855 HAA1 HEC 104 1HAA HEC 104 -1.483 2.607 -3.656
856 HAA2 HEC 104 2HAA HEC 104 -3.177 3.056 -3.553
857 HBA1 HEC 104 1HBA HEC 104 -0.867 4.719 -4.081
858 HBA2 HEC 104 2HBA HEC 104 -1.774 5.333 -2.701
859 HMB1 HEC 104 1HMB HEC 104 1.861 0.384 3.896
860 HMB2 HEC 104 2HMB HEC 104 1.826 0.962 2.243
861 HMB3 HEC 104 3HMB HEC 104 2.649 1.903 3.472
862 HAB HEC 104 HAB HEC 104 0.371 2.809 6.864
863 HBB1 HEC 104 1HBB HEC 104 2.051 1.352 7.347
864 HBB2 HEC 104 2HBB HEC 104 2.479 1.651 5.673
865 HBB3 HEC 104 3HBB HEC 104 1.563 0.206 6.103
866 HMC1 HEC 104 1HMC HEC 104 -2.482 7.714 7.705
867 HMC2 HEC 104 2HMC HEC 104 -0.981 6.994 7.122
868 HMC3 HEC 104 3HMC HEC 104 -2.123 6.022 8.051
869 HAC HEC 104 HAC HEC 104 -5.743 7.696 5.579
870 HBC1 HEC 104 1HBC HEC 104 -4.832 9.457 7.491
871 HBC2 HEC 104 2HBC HEC 104 -3.478 9.410 6.363
872 HBC3 HEC 104 3HBC HEC 104 -5.085 9.863 5.794
873 HMD1 HEC 104 1HMD HEC 104 -6.651 8.935 0.016
874 HMD2 HEC 104 2HMD HEC 104 -5.295 9.509 0.985
875 HMD3 HEC 104 3HMD HEC 104 -6.701 8.794 1.773
876 HAD1 HEC 104 1HAD HEC 104 -7.131 7.003 -1.203
877 HAD2 HEC 104 2HAD HEC 104 -6.208 5.677 -1.892
878 HBD1 HEC 104 1HBD HEC 104 -6.264 8.497 -2.652
879 HBD2 HEC 104 2HBD HEC 104 -4.624 7.886 -2.432
Start of MODEL 8
1 H1 THR -5 H1 THR -5 16.333 0.296 -2.838
2 H2 THR -5 H2 THR -5 17.874 0.581 -3.496
3 H3 THR -5 H3 THR -5 17.226 -0.990 -3.489
4 HA THR -5 HA THR -5 15.791 1.170 -4.879
5 HB THR -5 HB THR -5 18.261 -0.301 -5.795
6 HG1 THR -5 HG1 THR -5 18.300 2.019 -6.750
7 HG21 THR -5 HG21 THR -5 16.733 -0.822 -7.535
8 HG22 THR -5 HG22 THR -5 17.593 0.608 -8.103
9 HG23 THR -5 HG23 THR -5 15.966 0.763 -7.442
10 H GLU -4 H GLU -4 16.542 -2.161 -4.162
11 HA GLU -4 HA GLU -4 14.294 -3.042 -5.925
12 HB2 GLU -4 HB2 GLU -4 16.527 -4.662 -4.662
13 HB3 GLU -4 HB3 GLU -4 15.268 -5.303 -5.719
14 HG2 GLU -4 HG2 GLU -4 16.034 -3.767 -7.520
15 HG3 GLU -4 HG3 GLU -4 17.336 -3.215 -6.467
16 H PHE -3 H PHE -3 12.715 -4.497 -5.009
17 HA PHE -3 HA PHE -3 12.411 -4.129 -2.071
18 HB2 PHE -3 HB2 PHE -3 10.438 -3.403 -3.103
19 HB3 PHE -3 HB3 PHE -3 10.501 -4.669 -4.330
20 HD1 PHE -3 HD2 PHE -3 10.845 -4.907 -0.604
21 HD2 PHE -3 HD1 PHE -3 8.528 -5.910 -4.077
22 HE1 PHE -3 HE2 PHE -3 9.383 -6.346 0.786
23 HE2 PHE -3 HE1 PHE -3 7.064 -7.348 -2.686
24 HZ PHE -3 HZ PHE -3 7.492 -7.566 -0.254
25 H LYS -2 H LYS -2 12.767 -5.841 -0.754
26 HA LYS -2 HA LYS -2 12.907 -8.552 -1.987
27 HB2 LYS -2 HB2 LYS -2 14.162 -7.473 0.555
28 HB3 LYS -2 HB3 LYS -2 14.292 -9.143 0.002
29 HG2 LYS -2 HG2 LYS -2 15.317 -8.317 -2.122
30 HG3 LYS -2 HG3 LYS -2 15.285 -6.681 -1.462
31 HD2 LYS -2 HD2 LYS -2 16.665 -7.475 0.464
32 HD3 LYS -2 HD3 LYS -2 16.776 -9.057 -0.311
33 HE2 LYS -2 HE2 LYS -2 17.502 -7.353 -2.354
34 HE3 LYS -2 HE3 LYS -2 18.200 -6.563 -0.940
35 HZ1 LYS -2 HZ1 LYS -2 18.673 -9.288 -0.679
36 HZ2 LYS -2 HZ2 LYS -2 19.808 -8.060 -0.975
37 HZ3 LYS -2 HZ3 LYS -2 19.082 -8.880 -2.273
38 H ALA -1 H ALA -1 11.640 -10.205 -1.115
39 HA ALA -1 HA ALA -1 9.375 -9.364 0.518
40 HB1 ALA -1 HB1 ALA -1 10.004 -11.555 -1.220
41 HB2 ALA -1 HB2 ALA -1 8.436 -11.100 -0.554
42 HB3 ALA -1 HB3 ALA -1 9.487 -12.200 0.338
43 H GLY 1 H GLY 1 10.152 -8.838 2.578
44 HA2 GLY 1 HA2 GLY 1 11.965 -10.592 4.032
45 HA3 GLY 1 HA3 GLY 1 11.111 -9.202 4.705
46 H SER 2 H SER 2 9.727 -9.797 6.296
47 HA SER 2 HA SER 2 8.267 -12.395 5.975
48 HB2 SER 2 HB2 SER 2 9.153 -11.056 8.549
49 HB3 SER 2 HB3 SER 2 8.256 -12.567 8.432
50 HG SER 2 HG SER 2 10.585 -12.780 8.653
51 H ALA 3 H ALA 3 6.055 -12.283 6.177
52 HA ALA 3 HA ALA 3 4.797 -9.677 6.147
53 HB1 ALA 3 HB1 ALA 3 2.702 -10.908 5.997
54 HB2 ALA 3 HB2 ALA 3 3.501 -12.393 6.516
55 HB3 ALA 3 HB3 ALA 3 3.892 -11.682 4.951
56 H LYS 4 H LYS 4 5.243 -12.197 8.579
57 HA LYS 4 HA LYS 4 3.443 -11.230 10.548
58 HB2 LYS 4 HB2 LYS 4 6.147 -12.515 11.019
59 HB3 LYS 4 HB3 LYS 4 4.771 -12.511 12.120
60 HG2 LYS 4 HG2 LYS 4 3.445 -13.771 10.462
61 HG3 LYS 4 HG3 LYS 4 4.839 -13.785 9.382
62 HD2 LYS 4 HD2 LYS 4 4.786 -15.902 10.565
63 HD3 LYS 4 HD3 LYS 4 6.143 -14.958 11.180
64 HE2 LYS 4 HE2 LYS 4 5.085 -14.501 13.206
65 HE3 LYS 4 HE3 LYS 4 3.472 -14.734 12.531
66 HZ1 LYS 4 HZ1 LYS 4 3.804 -17.066 12.451
67 HZ2 LYS 4 HZ2 LYS 4 4.258 -16.557 14.007
68 HZ3 LYS 4 HZ3 LYS 4 5.446 -16.922 12.849
69 H LYS 5 H LYS 5 6.900 -10.556 10.080
70 HA LYS 5 HA LYS 5 7.171 -8.715 12.236
71 HB2 LYS 5 HB2 LYS 5 8.662 -8.870 9.600
72 HB3 LYS 5 HB3 LYS 5 9.166 -7.898 10.979
73 HG2 LYS 5 HG2 LYS 5 9.227 -9.970 12.371
74 HG3 LYS 5 HG3 LYS 5 8.849 -10.910 10.927
75 HD2 LYS 5 HD2 LYS 5 10.896 -9.980 9.837
76 HD3 LYS 5 HD3 LYS 5 11.294 -9.169 11.351
77 HE2 LYS 5 HE2 LYS 5 12.225 -11.055 12.145
78 HE3 LYS 5 HE3 LYS 5 10.707 -11.921 11.910
79 HZ1 LYS 5 HZ1 LYS 5 11.383 -12.084 9.501
80 HZ2 LYS 5 HZ2 LYS 5 12.283 -13.023 10.594
81 HZ3 LYS 5 HZ3 LYS 5 12.927 -11.574 9.983
82 H GLY 6 H GLY 6 6.451 -8.115 8.778
83 HA2 GLY 6 HA2 GLY 6 6.208 -5.266 9.118
84 HA3 GLY 6 HA3 GLY 6 5.583 -6.174 7.749
85 H ALA 7 H ALA 7 3.951 -7.966 9.412
86 HA ALA 7 HA ALA 7 1.514 -6.534 9.438
87 HB1 ALA 7 HB1 ALA 7 1.855 -9.073 9.579
88 HB2 ALA 7 HB2 ALA 7 0.574 -8.405 10.591
89 HB3 ALA 7 HB3 ALA 7 2.128 -8.834 11.305
90 H THR 8 H THR 8 3.861 -7.112 12.039
91 HA THR 8 HA THR 8 2.365 -5.792 14.108
92 HB THR 8 HB THR 8 4.491 -5.738 15.299
93 HG1 THR 8 HG1 THR 8 6.019 -5.120 13.964
94 HG21 THR 8 HG21 THR 8 3.536 -7.923 15.262
95 HG22 THR 8 HG22 THR 8 5.247 -8.140 14.888
96 HG23 THR 8 HG23 THR 8 4.048 -8.186 13.595
97 H LEU 9 H LEU 9 4.864 -4.755 11.847
98 HA LEU 9 HA LEU 9 5.066 -2.034 12.668
99 HB2 LEU 9 HB2 LEU 9 5.443 -3.301 9.946
100 HB3 LEU 9 HB3 LEU 9 5.985 -1.691 10.380
101 HG LEU 9 HG LEU 9 6.892 -4.288 11.649
102 HD11 LEU 9 HD11 LEU 9 9.129 -3.163 10.751
103 HD12 LEU 9 HD12 LEU 9 8.009 -2.405 9.620
104 HD13 LEU 9 HD13 LEU 9 8.125 -4.162 9.700
105 HD21 LEU 9 HD21 LEU 9 7.250 -1.407 12.395
106 HD22 LEU 9 HD22 LEU 9 8.609 -2.505 12.633
107 HD23 LEU 9 HD23 LEU 9 7.072 -2.818 13.439
108 H PHE 10 H PHE 10 3.026 -3.612 10.233
109 HA PHE 10 HA PHE 10 1.721 -1.268 9.260
110 HB2 PHE 10 HB2 PHE 10 1.677 -3.582 8.228
111 HB3 PHE 10 HB3 PHE 10 0.550 -4.060 9.494
112 HD1 PHE 10 HD2 PHE 10 1.020 -2.015 6.473
113 HD2 PHE 10 HD1 PHE 10 -1.742 -3.206 9.538
114 HE1 PHE 10 HE2 PHE 10 -0.857 -1.107 5.132
115 HE2 PHE 10 HE1 PHE 10 -3.622 -2.303 8.195
116 HZ PHE 10 HZ PHE 10 -3.180 -1.253 5.988
117 H LYS 11 H LYS 11 0.854 -3.548 11.850
118 HA LYS 11 HA LYS 11 -1.608 -2.318 12.574
119 HB2 LYS 11 HB2 LYS 11 -0.891 -4.597 13.285
120 HB3 LYS 11 HB3 LYS 11 0.286 -3.853 14.368
121 HG2 LYS 11 HG2 LYS 11 -1.561 -2.651 15.517
122 HG3 LYS 11 HG3 LYS 11 -2.721 -3.468 14.469
123 HD2 LYS 11 HD2 LYS 11 -1.843 -5.664 15.303
124 HD3 LYS 11 HD3 LYS 11 -0.835 -4.778 16.447
125 HE2 LYS 11 HE2 LYS 11 -2.699 -5.177 17.768
126 HE3 LYS 11 HE3 LYS 11 -3.137 -3.618 17.069
127 HZ1 LYS 11 HZ1 LYS 11 -3.946 -6.269 16.002
128 HZ2 LYS 11 HZ2 LYS 11 -4.384 -4.759 15.357
129 HZ3 LYS 11 HZ3 LYS 11 -4.941 -5.224 16.894
130 H THR 12 H THR 12 1.714 -1.669 13.648
131 HA THR 12 HA THR 12 0.668 0.391 15.512
132 HB THR 12 HB THR 12 2.932 0.470 16.409
133 HG1 THR 12 HG1 THR 12 4.254 -1.369 15.293
134 HG21 THR 12 HG21 THR 12 1.819 -2.296 15.904
135 HG22 THR 12 HG22 THR 12 1.604 -1.288 17.335
136 HG23 THR 12 HG23 THR 12 3.179 -1.999 16.988
137 H ARG 13 H ARG 13 1.576 0.327 12.300
138 HA ARG 13 HA ARG 13 2.180 3.239 12.430
139 HB2 ARG 13 HB2 ARG 13 3.810 1.228 10.854
140 HB3 ARG 13 HB3 ARG 13 4.013 2.977 10.799
141 HG2 ARG 13 HG2 ARG 13 4.432 2.939 13.278
142 HG3 ARG 13 HG3 ARG 13 4.411 1.178 13.203
143 HD2 ARG 13 HD2 ARG 13 6.238 1.306 11.471
144 HD3 ARG 13 HD3 ARG 13 6.338 3.038 11.786
145 HE ARG 13 HE ARG 13 6.586 1.378 14.187
146 HH11 ARG 13 HH21 ARG 13 8.125 2.915 11.513
147 HH12 ARG 13 HH22 ARG 13 9.674 3.001 12.283
148 HH21 ARG 13 HH11 ARG 13 8.599 1.482 15.209
149 HH22 ARG 13 HH12 ARG 13 9.942 2.190 14.375
150 H CYS 14 H CYS 14 0.078 1.086 11.329
151 HA CYS 14 HA CYS 14 -0.830 2.765 9.160
152 HB2 CYS 14 HB2 CYS 14 1.235 1.396 8.304
153 HB3 CYS 14 HB3 CYS 14 0.083 0.066 8.216
154 H LEU 15 H LEU 15 -2.590 2.334 10.830
155 HA LEU 15 HA LEU 15 -4.243 0.080 9.855
156 HB2 LEU 15 HB2 LEU 15 -4.823 -0.636 12.131
157 HB3 LEU 15 HB3 LEU 15 -3.093 -0.795 11.857
158 HG LEU 15 HG LEU 15 -4.397 1.565 13.243
159 HD11 LEU 15 HD11 LEU 15 -2.966 0.409 15.175
160 HD12 LEU 15 HD12 LEU 15 -3.300 -1.034 14.219
161 HD13 LEU 15 HD13 LEU 15 -4.633 -0.068 14.853
162 HD21 LEU 15 HD21 LEU 15 -1.627 0.877 12.389
163 HD22 LEU 15 HD22 LEU 15 -1.803 1.592 13.991
164 HD23 LEU 15 HD23 LEU 15 -2.386 2.458 12.574
165 H GLN 16 H GLN 16 -3.961 3.078 11.684
166 HA GLN 16 HA GLN 16 -6.726 3.533 12.177
167 HB2 GLN 16 HB2 GLN 16 -6.102 5.903 12.380
168 HB3 GLN 16 HB3 GLN 16 -4.904 4.886 13.179
169 HG2 GLN 16 HG2 GLN 16 -3.469 5.000 11.167
170 HG3 GLN 16 HG3 GLN 16 -4.658 6.041 10.383
171 HE21 GLN 16 HE21 GLN 16 -4.712 8.270 10.991
172 HE22 GLN 16 HE22 GLN 16 -3.628 8.951 12.104
173 H CYS 17 H CYS 17 -4.757 3.989 9.299
174 HA CYS 17 HA CYS 17 -6.950 5.388 7.900
175 HB2 CYS 17 HB2 CYS 17 -4.140 4.591 7.137
176 HB3 CYS 17 HB3 CYS 17 -5.285 5.231 5.961
177 H HIS 18 H HIS 18 -4.910 3.007 6.357
178 HA HIS 18 HA HIS 18 -6.941 1.834 4.824
179 HB2 HIS 18 HB2 HIS 18 -4.303 0.721 5.802
180 HB3 HIS 18 HB3 HIS 18 -5.350 -0.164 4.693
181 HD1 HIS 18 HD1 HIS 18 -5.888 1.066 2.373
182 HD2 HIS 18 HD2 HIS 18 -2.773 2.725 4.596
183 HE1 HIS 18 HE1 HIS 18 -4.611 2.587 0.794
184 H THR 19 H THR 19 -5.881 1.008 8.099
185 HA THR 19 HA THR 19 -6.733 -0.620 9.592
186 HB THR 19 HB THR 19 -9.364 0.242 8.362
187 HG1 THR 19 HG1 THR 19 -9.244 2.030 9.576
188 HG21 THR 19 HG21 THR 19 -8.851 -0.312 11.262
189 HG22 THR 19 HG22 THR 19 -9.052 -1.668 10.151
190 HG23 THR 19 HG23 THR 19 -10.344 -0.482 10.340
191 H VAL 20 H VAL 20 -5.760 -2.068 7.599
192 HA VAL 20 HA VAL 20 -7.469 -3.490 5.893
193 HB VAL 20 HB VAL 20 -4.972 -4.352 7.350
194 HG11 VAL 20 HG11 VAL 20 -5.022 -6.087 5.360
195 HG12 VAL 20 HG12 VAL 20 -6.765 -5.842 5.468
196 HG13 VAL 20 HG13 VAL 20 -5.868 -6.440 6.865
197 HG21 VAL 20 HG21 VAL 20 -3.855 -3.456 5.588
198 HG22 VAL 20 HG22 VAL 20 -5.358 -2.590 5.265
199 HG23 VAL 20 HG23 VAL 20 -5.011 -4.100 4.423
200 H GLU 21 H GLU 21 -6.514 -4.367 9.225
201 HA GLU 21 HA GLU 21 -7.379 -6.117 10.586
202 HB2 GLU 21 HB2 GLU 21 -9.700 -4.312 9.890
203 HB3 GLU 21 HB3 GLU 21 -9.802 -5.564 11.129
204 HG2 GLU 21 HG2 GLU 21 -7.891 -4.552 12.316
205 HG3 GLU 21 HG3 GLU 21 -7.786 -3.298 11.082
206 H LYS 22 H LYS 22 -7.421 -6.764 7.631
207 HA LYS 22 HA LYS 22 -8.318 -8.395 6.216
208 HB2 LYS 22 HB2 LYS 22 -8.982 -9.577 8.921
209 HB3 LYS 22 HB3 LYS 22 -9.166 -10.446 7.396
210 HG2 LYS 22 HG2 LYS 22 -6.702 -9.823 6.955
211 HG3 LYS 22 HG3 LYS 22 -6.627 -9.433 8.674
212 HD2 LYS 22 HD2 LYS 22 -7.572 -12.085 7.564
213 HD3 LYS 22 HD3 LYS 22 -5.940 -11.788 8.168
214 HE2 LYS 22 HE2 LYS 22 -7.483 -10.839 10.236
215 HE3 LYS 22 HE3 LYS 22 -8.448 -12.198 9.659
216 HZ1 LYS 22 HZ1 LYS 22 -7.045 -13.563 10.658
217 HZ2 LYS 22 HZ2 LYS 22 -6.100 -12.255 11.189
218 HZ3 LYS 22 HZ3 LYS 22 -5.773 -12.992 9.693
219 H GLY 23 H GLY 23 -10.043 -7.978 4.991
220 HA2 GLY 23 HA2 GLY 23 -12.229 -7.245 4.433
221 HA3 GLY 23 HA3 GLY 23 -12.672 -8.634 5.425
222 H GLY 24 H GLY 24 -11.760 -5.189 5.747
223 HA2 GLY 24 HA2 GLY 24 -13.771 -5.001 7.953
224 HA3 GLY 24 HA3 GLY 24 -12.176 -4.271 8.132
225 HA PRO 25 HA PRO 25 -15.446 -1.376 6.128
226 HB2 PRO 25 HB2 PRO 25 -15.062 0.557 8.125
227 HB3 PRO 25 HB3 PRO 25 -16.433 -0.561 8.012
228 HG2 PRO 25 HG2 PRO 25 -14.005 -0.711 9.701
229 HG3 PRO 25 HG3 PRO 25 -15.654 -1.264 10.033
230 HD2 PRO 25 HD2 PRO 25 -13.655 -2.990 9.401
231 HD3 PRO 25 HD3 PRO 25 -15.344 -3.286 8.931
232 H HIS 26 H HIS 26 -14.891 0.710 5.145
233 HA HIS 26 HA HIS 26 -11.938 1.088 4.969
234 HB2 HIS 26 HB2 HIS 26 -14.068 2.208 3.129
235 HB3 HIS 26 HB3 HIS 26 -12.329 2.161 2.853
236 HD1 HIS 26 HD1 HIS 26 -11.315 -0.009 1.980
237 HD2 HIS 26 HD2 HIS 26 -15.359 -0.385 2.928
238 HE1 HIS 26 HE1 HIS 26 -12.056 -2.263 1.085
239 HE2 HIS 26 HE2 HIS 26 -14.515 -2.501 1.658
240 H LYS 27 H LYS 27 -11.015 3.065 5.423
241 HA LYS 27 HA LYS 27 -12.842 5.174 6.506
242 HB2 LYS 27 HB2 LYS 27 -9.967 4.525 7.246
243 HB3 LYS 27 HB3 LYS 27 -10.898 5.875 7.898
244 HG2 LYS 27 HG2 LYS 27 -12.594 4.253 8.744
245 HG3 LYS 27 HG3 LYS 27 -11.568 2.933 8.184
246 HD2 LYS 27 HD2 LYS 27 -9.730 3.794 9.632
247 HD3 LYS 27 HD3 LYS 27 -10.833 5.024 10.252
248 HE2 LYS 27 HE2 LYS 27 -11.222 2.022 10.458
249 HE3 LYS 27 HE3 LYS 27 -10.758 3.096 11.778
250 HZ1 LYS 27 HZ1 LYS 27 -12.861 3.676 12.087
251 HZ2 LYS 27 HZ2 LYS 27 -13.312 2.449 11.002
252 HZ3 LYS 27 HZ3 LYS 27 -13.085 4.038 10.445
253 H VAL 28 H VAL 28 -10.055 6.706 6.519
254 HA VAL 28 HA VAL 28 -10.562 8.246 4.172
255 HB VAL 28 HB VAL 28 -8.031 7.916 5.813
256 HG11 VAL 28 HG11 VAL 28 -8.558 9.337 3.297
257 HG12 VAL 28 HG12 VAL 28 -7.019 8.934 4.059
258 HG13 VAL 28 HG13 VAL 28 -7.902 10.375 4.564
259 HG21 VAL 28 HG21 VAL 28 -9.823 8.908 7.090
260 HG22 VAL 28 HG22 VAL 28 -10.257 9.972 5.752
261 HG23 VAL 28 HG23 VAL 28 -8.736 10.211 6.611
262 H GLY 29 H GLY 29 -8.384 5.515 4.776
263 HA2 GLY 29 HA2 GLY 29 -7.768 5.464 1.852
264 HA3 GLY 29 HA3 GLY 29 -6.727 4.771 3.097
265 HA PRO 30 HA PRO 30 -10.067 1.747 1.323
266 HB2 PRO 30 HB2 PRO 30 -8.321 0.275 -0.260
267 HB3 PRO 30 HB3 PRO 30 -9.421 1.530 -0.852
268 HG2 PRO 30 HG2 PRO 30 -6.513 1.668 -0.297
269 HG3 PRO 30 HG3 PRO 30 -7.469 2.485 -1.544
270 HD2 PRO 30 HD2 PRO 30 -6.575 3.761 0.697
271 HD3 PRO 30 HD3 PRO 30 -8.077 4.218 -0.137
272 H ASN 31 H ASN 31 -10.203 -0.467 2.003
273 HA ASN 31 HA ASN 31 -8.832 -1.196 4.345
274 HB2 ASN 31 HB2 ASN 31 -10.934 -2.266 3.319
275 HB3 ASN 31 HB3 ASN 31 -9.827 -3.223 2.333
276 HD21 ASN 31 HD21 ASN 31 -9.459 -5.232 3.267
277 HD22 ASN 31 HD22 ASN 31 -9.352 -5.532 4.934
278 H LEU 32 H LEU 32 -7.704 -1.103 1.149
279 HA LEU 32 HA LEU 32 -5.681 -1.712 0.181
280 HB2 LEU 32 HB2 LEU 32 -4.823 -0.706 2.370
281 HB3 LEU 32 HB3 LEU 32 -4.744 -2.346 2.997
282 HG LEU 32 HG LEU 32 -3.147 -2.982 1.252
283 HD11 LEU 32 HD11 LEU 32 -2.248 -0.818 -0.034
284 HD12 LEU 32 HD12 LEU 32 -3.910 -0.286 0.212
285 HD13 LEU 32 HD13 LEU 32 -3.580 -1.777 -0.675
286 HD21 LEU 32 HD21 LEU 32 -2.365 -0.315 2.468
287 HD22 LEU 32 HD22 LEU 32 -1.271 -1.596 1.948
288 HD23 LEU 32 HD23 LEU 32 -2.325 -1.851 3.339
289 H HIS 33 H HIS 33 -7.669 -3.574 0.159
290 HA HIS 33 HA HIS 33 -6.155 -6.132 0.468
291 HB2 HIS 33 HB2 HIS 33 -8.597 -5.350 1.735
292 HB3 HIS 33 HB3 HIS 33 -8.973 -6.610 0.561
293 HD1 HIS 33 HD1 HIS 33 -6.362 -5.991 3.288
294 HD2 HIS 33 HD2 HIS 33 -8.482 -9.131 1.544
295 HE1 HIS 33 HE1 HIS 33 -5.728 -8.085 4.569
296 HE2 HIS 33 HE2 HIS 33 -7.018 -10.001 3.520
297 H GLY 34 H GLY 34 -7.824 -3.984 -1.560
298 HA2 GLY 34 HA2 GLY 34 -8.141 -6.127 -3.633
299 HA3 GLY 34 HA3 GLY 34 -9.253 -4.769 -3.499
300 H ILE 35 H ILE 35 -6.201 -3.583 -2.832
301 HA ILE 35 HA ILE 35 -6.070 -2.004 -5.183
302 HB ILE 35 HB ILE 35 -3.889 -2.828 -3.240
303 HG12 ILE 35 HG12 ILE 35 -5.825 -0.548 -3.486
304 HG13 ILE 35 HG13 ILE 35 -5.351 -1.458 -2.057
305 HG21 ILE 35 HG21 ILE 35 -3.017 -2.110 -5.554
306 HG22 ILE 35 HG22 ILE 35 -2.441 -1.179 -4.183
307 HG23 ILE 35 HG23 ILE 35 -3.722 -0.533 -5.208
308 HD11 ILE 35 HD11 ILE 35 -3.014 -0.412 -2.391
309 HD12 ILE 35 HD12 ILE 35 -4.294 0.651 -1.800
310 HD13 ILE 35 HD13 ILE 35 -3.817 0.706 -3.494
311 H PHE 36 H PHE 36 -4.820 -5.238 -4.534
312 HA PHE 36 HA PHE 36 -3.420 -5.246 -7.137
313 HB2 PHE 36 HB2 PHE 36 -3.714 -7.405 -5.028
314 HB3 PHE 36 HB3 PHE 36 -2.698 -7.517 -6.466
315 HD1 PHE 36 HD2 PHE 36 -0.744 -5.998 -6.749
316 HD2 PHE 36 HD1 PHE 36 -3.062 -6.069 -3.134
317 HE1 PHE 36 HE2 PHE 36 1.062 -4.780 -5.566
318 HE2 PHE 36 HE1 PHE 36 -1.257 -4.849 -1.952
319 HZ PHE 36 HZ PHE 36 0.805 -4.203 -3.167
320 H GLY 37 H GLY 37 -4.358 -5.976 -8.953
321 HA2 GLY 37 HA2 GLY 37 -6.112 -8.198 -9.168
322 HA3 GLY 37 HA3 GLY 37 -7.098 -6.735 -9.092
323 H ARG 38 H ARG 38 -7.624 -7.503 -11.400
324 HA ARG 38 HA ARG 38 -5.711 -7.502 -13.478
325 HB2 ARG 38 HB2 ARG 38 -7.657 -6.773 -14.952
326 HB3 ARG 38 HB3 ARG 38 -7.917 -8.240 -14.012
327 HG2 ARG 38 HG2 ARG 38 -9.757 -7.296 -13.124
328 HG3 ARG 38 HG3 ARG 38 -8.729 -6.092 -12.350
329 HD2 ARG 38 HD2 ARG 38 -8.929 -4.597 -14.209
330 HD3 ARG 38 HD3 ARG 38 -9.681 -5.832 -15.213
331 HE ARG 38 HE ARG 38 -11.018 -4.237 -13.150
332 HH11 ARG 38 HH21 ARG 38 -10.961 -7.095 -15.077
333 HH12 ARG 38 HH22 ARG 38 -12.668 -7.364 -14.965
334 HH21 ARG 38 HH11 ARG 38 -13.247 -4.572 -12.993
335 HH22 ARG 38 HH12 ARG 38 -13.962 -5.935 -13.785
336 H HIS 39 H HIS 39 -7.598 -4.746 -12.186
337 HA HIS 39 HA HIS 39 -5.467 -2.953 -13.257
338 HB2 HIS 39 HB2 HIS 39 -8.458 -2.488 -13.502
339 HB3 HIS 39 HB3 HIS 39 -7.219 -1.297 -13.893
340 HD1 HIS 39 HD1 HIS 39 -9.315 -2.884 -15.879
341 HD2 HIS 39 HD2 HIS 39 -5.195 -3.431 -15.535
342 HE1 HIS 39 HE1 HIS 39 -8.543 -3.922 -18.059
343 HE2 HIS 39 HE2 HIS 39 -6.037 -4.259 -17.860
344 H SER 40 H SER 40 -5.423 -0.841 -12.082
345 HA SER 40 HA SER 40 -5.789 -1.250 -9.250
346 HB2 SER 40 HB2 SER 40 -5.039 1.094 -9.053
347 HB3 SER 40 HB3 SER 40 -3.983 0.174 -10.113
348 HG SER 40 HG SER 40 -5.646 1.018 -11.770
349 H GLY 41 H GLY 41 -7.007 0.412 -7.903
350 HA2 GLY 41 HA2 GLY 41 -8.979 1.580 -7.389
351 HA3 GLY 41 HA3 GLY 41 -9.298 1.732 -9.115
352 H GLN 42 H GLN 42 -9.139 -0.888 -6.667
353 HA GLN 42 HA GLN 42 -11.796 -1.803 -7.634
354 HB2 GLN 42 HB2 GLN 42 -9.237 -3.172 -8.071
355 HB3 GLN 42 HB3 GLN 42 -10.405 -4.190 -7.243
356 HG2 GLN 42 HG2 GLN 42 -10.792 -4.583 -9.546
357 HG3 GLN 42 HG3 GLN 42 -12.081 -3.487 -9.064
358 HE21 GLN 42 HE21 GLN 42 -9.043 -1.877 -9.183
359 HE22 GLN 42 HE22 GLN 42 -9.225 -1.172 -10.715
360 H ALA 43 H ALA 43 -12.276 -0.814 -5.455
361 HA ALA 43 HA ALA 43 -11.534 -2.648 -3.221
362 HB1 ALA 43 HB1 ALA 43 -10.869 -0.332 -2.810
363 HB2 ALA 43 HB2 ALA 43 -12.180 -0.784 -1.721
364 HB3 ALA 43 HB3 ALA 43 -12.513 0.216 -3.135
365 H GLU 44 H GLU 44 -13.224 -3.357 -1.806
366 HA GLU 44 HA GLU 44 -15.690 -3.998 -3.102
367 HB2 GLU 44 HB2 GLU 44 -14.948 -4.035 -0.162
368 HB3 GLU 44 HB3 GLU 44 -16.408 -4.761 -0.833
369 HG2 GLU 44 HG2 GLU 44 -15.000 -6.185 -2.305
370 HG3 GLU 44 HG3 GLU 44 -13.557 -5.497 -1.558
371 H GLY 45 H GLY 45 -14.799 -1.359 -0.901
372 HA2 GLY 45 HA2 GLY 45 -17.461 -0.139 -1.491
373 HA3 GLY 45 HA3 GLY 45 -16.874 -0.191 0.169
374 H TYR 46 H TYR 46 -14.155 0.424 -0.263
375 HA TYR 46 HA TYR 46 -14.178 3.241 -0.294
376 HB2 TYR 46 HB2 TYR 46 -12.271 2.083 0.612
377 HB3 TYR 46 HB3 TYR 46 -11.937 1.308 -0.931
378 HD1 TYR 46 HD2 TYR 46 -11.928 4.551 0.881
379 HD2 TYR 46 HD1 TYR 46 -10.808 2.444 -2.691
380 HE1 TYR 46 HE2 TYR 46 -10.529 6.470 0.186
381 HE2 TYR 46 HE1 TYR 46 -9.407 4.358 -3.391
382 HH TYR 46 HH TYR 46 -9.034 6.602 -2.995
383 H SER 47 H SER 47 -13.585 4.779 -1.888
384 HA SER 47 HA SER 47 -13.815 3.792 -4.707
385 HB2 SER 47 HB2 SER 47 -14.652 6.479 -3.574
386 HB3 SER 47 HB3 SER 47 -14.821 5.970 -5.252
387 HG SER 47 HG SER 47 -16.731 5.425 -4.431
388 H TYR 48 H TYR 48 -12.350 4.690 -6.216
389 HA TYR 48 HA TYR 48 -10.019 6.074 -4.970
390 HB2 TYR 48 HB2 TYR 48 -10.219 4.609 -7.617
391 HB3 TYR 48 HB3 TYR 48 -8.753 5.299 -6.925
392 HD1 TYR 48 HD2 TYR 48 -11.500 2.878 -6.134
393 HD2 TYR 48 HD1 TYR 48 -7.402 4.010 -5.520
394 HE1 TYR 48 HE2 TYR 48 -11.112 0.792 -4.851
395 HE2 TYR 48 HE1 TYR 48 -7.020 1.922 -4.237
396 HH TYR 48 HH TYR 48 -9.226 -0.663 -4.233
397 H THR 49 H THR 49 -8.908 7.682 -6.433
398 HA THR 49 HA THR 49 -10.829 9.655 -7.342
399 HB THR 49 HB THR 49 -9.041 11.083 -7.375
400 HG1 THR 49 HG1 THR 49 -8.182 10.276 -9.271
401 HG21 THR 49 HG21 THR 49 -7.459 10.530 -5.746
402 HG22 THR 49 HG22 THR 49 -7.373 8.846 -6.263
403 HG23 THR 49 HG23 THR 49 -8.779 9.424 -5.364
404 H ASP 50 H ASP 50 -10.794 10.538 -9.585
405 HA ASP 50 HA ASP 50 -11.261 8.547 -11.543
406 HB2 ASP 50 HB2 ASP 50 -10.533 11.473 -11.859
407 HB3 ASP 50 HB3 ASP 50 -11.078 10.446 -13.186
408 H ALA 51 H ALA 51 -8.308 10.200 -10.601
409 HA ALA 51 HA ALA 51 -6.714 9.626 -12.865
410 HB1 ALA 51 HB1 ALA 51 -5.385 10.885 -11.552
411 HB2 ALA 51 HB2 ALA 51 -4.986 9.395 -10.700
412 HB3 ALA 51 HB3 ALA 51 -6.277 10.434 -10.100
413 H ASN 52 H ASN 52 -6.901 7.689 -9.832
414 HA ASN 52 HA ASN 52 -5.303 5.541 -10.811
415 HB2 ASN 52 HB2 ASN 52 -6.063 5.906 -8.416
416 HB3 ASN 52 HB3 ASN 52 -7.619 5.222 -8.895
417 HD21 ASN 52 HD21 ASN 52 -7.070 3.398 -7.340
418 HD22 ASN 52 HD22 ASN 52 -6.040 2.158 -7.872
419 H ILE 53 H ILE 53 -8.805 6.094 -11.041
420 HA ILE 53 HA ILE 53 -9.352 3.547 -12.298
421 HB ILE 53 HB ILE 53 -10.981 6.101 -12.294
422 HG12 ILE 53 HG12 ILE 53 -11.163 3.648 -10.515
423 HG13 ILE 53 HG13 ILE 53 -10.411 5.170 -10.034
424 HG21 ILE 53 HG21 ILE 53 -12.617 3.815 -12.403
425 HG22 ILE 53 HG22 ILE 53 -11.334 3.526 -13.578
426 HG23 ILE 53 HG23 ILE 53 -12.333 4.974 -13.701
427 HD11 ILE 53 HD11 ILE 53 -12.418 6.053 -9.534
428 HD12 ILE 53 HD12 ILE 53 -13.153 4.486 -9.875
429 HD13 ILE 53 HD13 ILE 53 -13.015 5.693 -11.154
430 H LYS 54 H LYS 54 -9.206 6.875 -13.648
431 HA LYS 54 HA LYS 54 -9.657 6.124 -16.337
432 HB2 LYS 54 HB2 LYS 54 -8.109 8.444 -15.168
433 HB3 LYS 54 HB3 LYS 54 -8.492 8.291 -16.881
434 HG2 LYS 54 HG2 LYS 54 -10.895 8.214 -16.353
435 HG3 LYS 54 HG3 LYS 54 -10.525 8.344 -14.634
436 HD2 LYS 54 HD2 LYS 54 -11.110 10.551 -15.470
437 HD3 LYS 54 HD3 LYS 54 -9.387 10.528 -15.097
438 HE2 LYS 54 HE2 LYS 54 -8.759 10.522 -17.338
439 HE3 LYS 54 HE3 LYS 54 -10.284 9.813 -17.869
440 HZ1 LYS 54 HZ1 LYS 54 -9.647 12.445 -17.977
441 HZ2 LYS 54 HZ2 LYS 54 -10.606 12.356 -16.578
442 HZ3 LYS 54 HZ3 LYS 54 -11.217 11.810 -18.067
443 H LYS 55 H LYS 55 -6.562 6.501 -14.601
444 HA LYS 55 HA LYS 55 -4.902 5.900 -16.846
445 HB2 LYS 55 HB2 LYS 55 -4.390 5.368 -13.903
446 HB3 LYS 55 HB3 LYS 55 -3.164 5.360 -15.168
447 HG2 LYS 55 HG2 LYS 55 -4.913 7.761 -14.576
448 HG3 LYS 55 HG3 LYS 55 -3.321 7.526 -13.857
449 HD2 LYS 55 HD2 LYS 55 -2.482 7.245 -16.290
450 HD3 LYS 55 HD3 LYS 55 -4.024 7.963 -16.759
451 HE2 LYS 55 HE2 LYS 55 -1.727 9.202 -15.309
452 HE3 LYS 55 HE3 LYS 55 -2.764 9.884 -16.561
453 HZ1 LYS 55 HZ1 LYS 55 -4.582 9.668 -14.764
454 HZ2 LYS 55 HZ2 LYS 55 -3.483 10.961 -14.676
455 HZ3 LYS 55 HZ3 LYS 55 -3.281 9.601 -13.677
456 H ASN 56 H ASN 56 -6.654 3.837 -14.597
457 HA ASN 56 HA ASN 56 -6.976 1.515 -14.595
458 HB2 ASN 56 HB2 ASN 56 -7.678 2.162 -16.989
459 HB3 ASN 56 HB3 ASN 56 -6.091 1.569 -17.484
460 HD21 ASN 56 HD21 ASN 56 -5.715 -0.727 -17.434
461 HD22 ASN 56 HD22 ASN 56 -6.941 -1.846 -17.083
462 H VAL 57 H VAL 57 -4.483 2.368 -13.657
463 HA VAL 57 HA VAL 57 -2.415 0.750 -14.965
464 HB VAL 57 HB VAL 57 -2.218 3.033 -13.566
465 HG11 VAL 57 HG11 VAL 57 -1.444 0.951 -11.514
466 HG12 VAL 57 HG12 VAL 57 -3.032 1.720 -11.503
467 HG13 VAL 57 HG13 VAL 57 -1.580 2.697 -11.301
468 HG21 VAL 57 HG21 VAL 57 -0.283 2.371 -14.656
469 HG22 VAL 57 HG22 VAL 57 -0.346 0.739 -13.991
470 HG23 VAL 57 HG23 VAL 57 0.200 2.080 -12.985
471 H LEU 58 H LEU 58 -1.447 -1.102 -14.005
472 HA LEU 58 HA LEU 58 -3.273 -2.537 -12.155
473 HB2 LEU 58 HB2 LEU 58 -2.344 -3.504 -14.373
474 HB3 LEU 58 HB3 LEU 58 -0.824 -3.686 -13.500
475 HG LEU 58 HG LEU 58 -3.462 -4.787 -12.502
476 HD11 LEU 58 HD11 LEU 58 -2.784 -5.792 -14.682
477 HD12 LEU 58 HD12 LEU 58 -2.737 -6.951 -13.352
478 HD13 LEU 58 HD13 LEU 58 -1.239 -6.240 -13.958
479 HD21 LEU 58 HD21 LEU 58 -1.508 -6.319 -11.419
480 HD22 LEU 58 HD22 LEU 58 -2.148 -4.878 -10.632
481 HD23 LEU 58 HD23 LEU 58 -0.647 -4.786 -11.551
482 H TRP 59 H TRP 59 -2.683 -2.883 -10.032
483 HA TRP 59 HA TRP 59 -0.123 -1.740 -9.135
484 HB2 TRP 59 HB2 TRP 59 -2.550 -2.830 -7.723
485 HB3 TRP 59 HB3 TRP 59 -1.063 -2.507 -6.841
486 HD1 TRP 59 HD1 TRP 59 -4.143 -0.880 -7.796
487 HE1 TRP 59 HE1 TRP 59 -3.961 1.693 -7.656
488 HE3 TRP 59 HE3 TRP 59 0.916 -0.400 -7.432
489 HZ2 TRP 59 HZ2 TRP 59 -1.929 3.670 -7.394
490 HZ3 TRP 59 HZ3 TRP 59 1.954 1.840 -7.233
491 HH2 TRP 59 HH2 TRP 59 0.540 3.877 -7.212
492 H ASP 60 H ASP 60 1.647 -2.909 -8.689
493 HA ASP 60 HA ASP 60 1.422 -5.800 -8.077
494 HB2 ASP 60 HB2 ASP 60 3.127 -4.626 -10.296
495 HB3 ASP 60 HB3 ASP 60 3.309 -6.266 -9.676
496 H GLU 61 H GLU 61 3.767 -6.578 -7.437
497 HA GLU 61 HA GLU 61 4.661 -4.948 -5.280
498 HB2 GLU 61 HB2 GLU 61 6.127 -7.139 -6.778
499 HB3 GLU 61 HB3 GLU 61 6.635 -6.462 -5.231
500 HG2 GLU 61 HG2 GLU 61 4.469 -7.156 -4.236
501 HG3 GLU 61 HG3 GLU 61 4.017 -7.890 -5.776
502 H ASN 62 H ASN 62 5.820 -5.267 -8.617
503 HA ASN 62 HA ASN 62 8.119 -3.564 -8.279
504 HB2 ASN 62 HB2 ASN 62 6.507 -4.271 -10.746
505 HB3 ASN 62 HB3 ASN 62 8.044 -3.406 -10.777
506 HD21 ASN 62 HD21 ASN 62 7.773 -5.957 -12.043
507 HD22 ASN 62 HD22 ASN 62 8.710 -7.085 -11.188
508 H ASN 63 H ASN 63 4.807 -2.958 -9.429
509 HA ASN 63 HA ASN 63 5.150 -0.202 -10.057
510 HB2 ASN 63 HB2 ASN 63 2.674 -1.594 -8.996
511 HB3 ASN 63 HB3 ASN 63 2.703 -0.031 -9.807
512 HD21 ASN 63 HD21 ASN 63 1.471 -2.728 -10.654
513 HD22 ASN 63 HD22 ASN 63 2.098 -2.990 -12.207
514 H MET 64 H MET 64 4.451 -1.849 -7.005
515 HA MET 64 HA MET 64 3.821 0.438 -5.441
516 HB2 MET 64 HB2 MET 64 5.123 -2.199 -4.736
517 HB3 MET 64 HB3 MET 64 4.727 -0.984 -3.521
518 HG2 MET 64 HG2 MET 64 2.712 -2.115 -5.478
519 HG3 MET 64 HG3 MET 64 2.941 -2.735 -3.842
520 HE1 MET 64 HE1 MET 64 -0.277 -0.655 -4.683
521 HE2 MET 64 HE2 MET 64 -0.092 -1.634 -3.228
522 HE3 MET 64 HE3 MET 64 0.530 -2.227 -4.766
523 H SER 65 H SER 65 6.951 -0.976 -6.344
524 HA SER 65 HA SER 65 8.580 0.642 -4.657
525 HB2 SER 65 HB2 SER 65 9.372 -1.335 -6.004
526 HB3 SER 65 HB3 SER 65 9.270 -0.328 -7.445
527 HG SER 65 HG SER 65 10.594 1.130 -5.814
528 H GLU 66 H GLU 66 7.251 1.208 -7.895
529 HA GLU 66 HA GLU 66 8.571 3.721 -8.326
530 HB2 GLU 66 HB2 GLU 66 5.978 2.626 -9.454
531 HB3 GLU 66 HB3 GLU 66 6.809 4.057 -10.055
532 HG2 GLU 66 HG2 GLU 66 8.820 2.679 -10.516
533 HG3 GLU 66 HG3 GLU 66 7.940 1.247 -9.980
534 H TYR 67 H TYR 67 5.551 2.804 -6.748
535 HA TYR 67 HA TYR 67 4.386 5.381 -6.542
536 HB2 TYR 67 HB2 TYR 67 3.159 3.327 -5.997
537 HB3 TYR 67 HB3 TYR 67 4.222 3.035 -4.625
538 HD1 TYR 67 HD2 TYR 67 2.350 6.044 -5.918
539 HD2 TYR 67 HD1 TYR 67 3.160 3.434 -2.605
540 HE1 TYR 67 HE2 TYR 67 0.892 7.427 -4.473
541 HE2 TYR 67 HE1 TYR 67 1.698 4.818 -1.161
542 HH TYR 67 HH TYR 67 0.378 6.589 -1.043
543 H LEU 68 H LEU 68 6.675 3.721 -4.369
544 HA LEU 68 HA LEU 68 6.768 5.955 -2.509
545 HB2 LEU 68 HB2 LEU 68 8.369 3.426 -2.871
546 HB3 LEU 68 HB3 LEU 68 8.843 4.648 -1.692
547 HG LEU 68 HG LEU 68 6.785 4.441 -0.502
548 HD11 LEU 68 HD11 LEU 68 5.875 2.833 -2.898
549 HD12 LEU 68 HD12 LEU 68 5.195 4.344 -2.291
550 HD13 LEU 68 HD13 LEU 68 4.997 2.856 -1.369
551 HD21 LEU 68 HD21 LEU 68 8.541 2.337 -0.749
552 HD22 LEU 68 HD22 LEU 68 6.994 1.562 -1.095
553 HD23 LEU 68 HD23 LEU 68 7.231 2.415 0.430
554 H THR 69 H THR 69 8.870 4.786 -5.124
555 HA THR 69 HA THR 69 10.878 6.828 -4.689
556 HB THR 69 HB THR 69 11.848 6.056 -6.773
557 HG1 THR 69 HG1 THR 69 10.496 5.553 -8.276
558 HG21 THR 69 HG21 THR 69 12.520 4.255 -5.612
559 HG22 THR 69 HG22 THR 69 11.069 3.403 -6.143
560 HG23 THR 69 HG23 THR 69 11.054 4.312 -4.631
561 H ASN 70 H ASN 70 8.119 6.530 -6.928
562 HA ASN 70 HA ASN 70 8.096 9.463 -7.213
563 HB2 ASN 70 HB2 ASN 70 9.665 8.511 -8.993
564 HB3 ASN 70 HB3 ASN 70 8.240 7.753 -9.703
565 HD21 ASN 70 HD21 ASN 70 9.303 9.506 -11.417
566 HD22 ASN 70 HD22 ASN 70 8.489 10.994 -11.426
567 H HIS 71 H HIS 71 5.975 10.011 -7.013
568 HA HIS 71 HA HIS 71 3.952 8.294 -8.346
569 HB2 HIS 71 HB2 HIS 71 2.508 8.378 -6.342
570 HB3 HIS 71 HB3 HIS 71 4.031 7.562 -6.003
571 HD1 HIS 71 HD1 HIS 71 5.808 10.124 -5.723
572 HD2 HIS 71 HD2 HIS 71 2.143 9.557 -3.820
573 HE1 HIS 71 HE1 HIS 71 5.807 11.654 -3.701
574 HE2 HIS 71 HE2 HIS 71 3.578 11.318 -2.537
575 H ALA 72 H ALA 72 1.699 9.480 -8.073
576 HA ALA 72 HA ALA 72 0.413 11.441 -8.342
577 HB1 ALA 72 HB1 ALA 72 1.193 13.435 -7.495
578 HB2 ALA 72 HB2 ALA 72 2.792 13.233 -8.209
579 HB3 ALA 72 HB3 ALA 72 2.366 12.357 -6.739
580 H LYS 73 H LYS 73 3.525 11.102 -9.958
581 HA LYS 73 HA LYS 73 3.058 12.865 -12.142
582 HB2 LYS 73 HB2 LYS 73 5.254 11.795 -11.608
583 HB3 LYS 73 HB3 LYS 73 4.606 10.261 -12.191
584 HG2 LYS 73 HG2 LYS 73 4.168 11.309 -14.401
585 HG3 LYS 73 HG3 LYS 73 4.890 12.807 -13.814
586 HD2 LYS 73 HD2 LYS 73 7.001 11.538 -13.339
587 HD3 LYS 73 HD3 LYS 73 6.271 10.124 -14.100
588 HE2 LYS 73 HE2 LYS 73 5.962 11.435 -16.189
589 HE3 LYS 73 HE3 LYS 73 6.767 12.807 -15.425
590 HZ1 LYS 73 HZ1 LYS 73 8.326 11.550 -16.746
591 HZ2 LYS 73 HZ2 LYS 73 7.950 10.124 -15.903
592 HZ3 LYS 73 HZ3 LYS 73 8.727 11.406 -15.105
593 H TYR 74 H TYR 74 2.223 9.435 -11.713
594 HA TYR 74 HA TYR 74 0.459 9.682 -14.115
595 HB2 TYR 74 HB2 TYR 74 0.956 7.439 -14.735
596 HB3 TYR 74 HB3 TYR 74 2.508 8.197 -14.386
597 HD1 TYR 74 HD1 TYR 74 3.626 7.793 -12.183
598 HD2 TYR 74 HD2 TYR 74 0.117 5.650 -13.404
599 HE1 TYR 74 HE1 TYR 74 4.085 6.066 -10.460
600 HE2 TYR 74 HE2 TYR 74 0.568 3.922 -11.680
601 HH TYR 74 HH TYR 74 1.768 3.638 -9.636
602 H ILE 75 H ILE 75 0.518 9.315 -10.821
603 HA ILE 75 HA ILE 75 -2.109 7.875 -10.841
604 HB ILE 75 HB ILE 75 -0.996 7.760 -8.239
605 HG12 ILE 75 HG12 ILE 75 0.994 6.962 -10.379
606 HG13 ILE 75 HG13 ILE 75 1.176 8.333 -9.284
607 HG21 ILE 75 HG21 ILE 75 -1.058 5.379 -8.611
608 HG22 ILE 75 HG22 ILE 75 -0.947 5.591 -10.356
609 HG23 ILE 75 HG23 ILE 75 -2.415 6.060 -9.504
610 HD11 ILE 75 HD11 ILE 75 0.723 6.475 -7.441
611 HD12 ILE 75 HD12 ILE 75 2.342 6.727 -8.093
612 HD13 ILE 75 HD13 ILE 75 1.342 5.407 -8.697
613 HA PRO 76 HA PRO 76 -4.150 11.250 -8.872
614 HB2 PRO 76 HB2 PRO 76 -4.388 9.794 -6.282
615 HB3 PRO 76 HB3 PRO 76 -5.651 10.541 -7.279
616 HG2 PRO 76 HG2 PRO 76 -5.316 7.894 -7.173
617 HG3 PRO 76 HG3 PRO 76 -5.830 8.720 -8.654
618 HD2 PRO 76 HD2 PRO 76 -3.190 7.529 -7.984
619 HD3 PRO 76 HD3 PRO 76 -3.975 7.705 -9.566
620 H GLY 77 H GLY 77 -3.520 13.111 -7.797
621 HA2 GLY 77 HA2 GLY 77 -0.883 13.165 -6.580
622 HA3 GLY 77 HA3 GLY 77 -1.980 14.539 -6.727
623 H THR 78 H THR 78 -3.423 11.783 -5.350
624 HA THR 78 HA THR 78 -4.213 12.958 -2.956
625 HB THR 78 HB THR 78 -4.951 10.712 -3.844
626 HG1 THR 78 HG1 THR 78 -4.512 11.482 -1.301
627 HG21 THR 78 HG21 THR 78 -3.591 8.863 -3.772
628 HG22 THR 78 HG22 THR 78 -2.726 9.425 -2.341
629 HG23 THR 78 HG23 THR 78 -2.335 10.090 -3.928
630 H LYS 79 H LYS 79 -3.203 13.481 -1.061
631 HA LYS 79 HA LYS 79 -0.303 12.930 -0.851
632 HB2 LYS 79 HB2 LYS 79 -2.165 14.620 0.852
633 HB3 LYS 79 HB3 LYS 79 -0.423 14.490 1.094
634 HG2 LYS 79 HG2 LYS 79 -0.078 15.320 -1.237
635 HG3 LYS 79 HG3 LYS 79 -1.821 15.554 -1.378
636 HD2 LYS 79 HD2 LYS 79 -1.734 17.073 0.606
637 HD3 LYS 79 HD3 LYS 79 0.023 16.911 0.610
638 HE2 LYS 79 HE2 LYS 79 0.129 17.832 -1.668
639 HE3 LYS 79 HE3 LYS 79 -1.630 17.968 -1.702
640 HZ1 LYS 79 HZ1 LYS 79 -1.500 19.892 -0.645
641 HZ2 LYS 79 HZ2 LYS 79 0.195 19.815 -0.723
642 HZ3 LYS 79 HZ3 LYS 79 -0.626 19.193 0.629
643 H MET 80 H MET 80 0.566 11.568 0.720
644 HA MET 80 HA MET 80 -1.407 10.192 2.500
645 HB2 MET 80 HB2 MET 80 -0.424 8.859 0.522
646 HB3 MET 80 HB3 MET 80 1.097 8.900 1.412
647 HG2 MET 80 HG2 MET 80 0.225 7.636 3.202
648 HG3 MET 80 HG3 MET 80 -1.445 7.962 2.740
649 HE1 MET 80 HE1 MET 80 1.478 4.890 1.114
650 HE2 MET 80 HE2 MET 80 1.694 6.096 2.378
651 HE3 MET 80 HE3 MET 80 1.798 6.577 0.687
652 H ALA 81 H ALA 81 -0.823 9.970 4.636
653 HA ALA 81 HA ALA 81 1.184 11.692 5.714
654 HB1 ALA 81 HB1 ALA 81 -0.861 9.941 6.712
655 HB2 ALA 81 HB2 ALA 81 -0.045 11.264 7.546
656 HB3 ALA 81 HB3 ALA 81 0.633 9.637 7.598
657 H PHE 82 H PHE 82 1.248 8.276 4.823
658 HA PHE 82 HA PHE 82 3.991 8.027 5.940
659 HB2 PHE 82 HB2 PHE 82 2.255 6.223 6.302
660 HB3 PHE 82 HB3 PHE 82 2.307 5.911 4.570
661 HD1 PHE 82 HD2 PHE 82 4.553 5.282 3.509
662 HD2 PHE 82 HD1 PHE 82 3.893 5.316 7.756
663 HE1 PHE 82 HE2 PHE 82 6.533 3.830 3.830
664 HE2 PHE 82 HE1 PHE 82 5.884 3.863 8.075
665 HZ PHE 82 HZ PHE 82 7.193 3.122 6.109
666 H GLY 83 H GLY 83 5.730 8.254 4.623
667 HA2 GLY 83 HA2 GLY 83 5.281 8.095 1.664
668 HA3 GLY 83 HA3 GLY 83 6.432 9.204 2.412
669 H GLY 84 H GLY 84 7.500 7.392 4.337
670 HA2 GLY 84 HA2 GLY 84 8.397 4.945 3.116
671 HA3 GLY 84 HA3 GLY 84 9.616 6.205 2.931
672 H LEU 85 H LEU 85 10.587 4.280 4.400
673 HA LEU 85 HA LEU 85 10.250 5.192 7.230
674 HB2 LEU 85 HB2 LEU 85 9.394 2.780 6.415
675 HB3 LEU 85 HB3 LEU 85 11.090 2.384 6.657
676 HG LEU 85 HG LEU 85 10.954 3.272 8.971
677 HD11 LEU 85 HD11 LEU 85 9.269 4.764 9.309
678 HD12 LEU 85 HD12 LEU 85 8.261 3.338 9.555
679 HD13 LEU 85 HD13 LEU 85 8.314 4.119 7.973
680 HD21 LEU 85 HD21 LEU 85 8.698 1.464 9.146
681 HD22 LEU 85 HD22 LEU 85 10.381 1.178 9.593
682 HD23 LEU 85 HD23 LEU 85 9.847 0.890 7.936
683 H LYS 86 H LYS 86 12.156 5.779 8.192
684 HA LYS 86 HA LYS 86 14.567 6.020 6.715
685 HB2 LYS 86 HB2 LYS 86 14.026 7.296 8.800
686 HB3 LYS 86 HB3 LYS 86 14.299 5.822 9.731
687 HG2 LYS 86 HG2 LYS 86 16.612 5.712 8.936
688 HG3 LYS 86 HG3 LYS 86 16.352 7.134 7.925
689 HD2 LYS 86 HD2 LYS 86 17.447 7.862 9.956
690 HD3 LYS 86 HD3 LYS 86 15.777 8.424 10.009
691 HE2 LYS 86 HE2 LYS 86 15.151 6.825 11.604
692 HE3 LYS 86 HE3 LYS 86 16.508 5.767 11.216
693 HZ1 LYS 86 HZ1 LYS 86 16.725 7.032 13.339
694 HZ2 LYS 86 HZ2 LYS 86 16.832 8.457 12.420
695 HZ3 LYS 86 HZ3 LYS 86 18.013 7.245 12.255
696 H LYS 87 H LYS 87 13.432 3.458 8.885
697 HA LYS 87 HA LYS 87 15.843 1.971 9.062
698 HB2 LYS 87 HB2 LYS 87 12.968 1.003 9.034
699 HB3 LYS 87 HB3 LYS 87 14.353 0.019 9.512
700 HG2 LYS 87 HG2 LYS 87 14.904 1.725 11.258
701 HG3 LYS 87 HG3 LYS 87 13.425 2.587 10.831
702 HD2 LYS 87 HD2 LYS 87 12.123 0.518 11.352
703 HD3 LYS 87 HD3 LYS 87 13.618 -0.243 11.900
704 HE2 LYS 87 HE2 LYS 87 13.054 0.610 13.931
705 HE3 LYS 87 HE3 LYS 87 13.679 2.124 13.279
706 HZ1 LYS 87 HZ1 LYS 87 11.159 1.725 14.183
707 HZ2 LYS 87 HZ2 LYS 87 10.968 1.578 12.502
708 HZ3 LYS 87 HZ3 LYS 87 11.644 2.990 13.164
709 H GLU 88 H GLU 88 13.506 2.274 6.484
710 HA GLU 88 HA GLU 88 13.549 1.529 4.272
711 HB2 GLU 88 HB2 GLU 88 15.923 2.365 4.416
712 HB3 GLU 88 HB3 GLU 88 16.416 0.723 4.825
713 HG2 GLU 88 HG2 GLU 88 15.373 -0.084 2.711
714 HG3 GLU 88 HG3 GLU 88 15.006 1.589 2.288
715 H LYS 89 H LYS 89 15.620 -0.838 6.032
716 HA LYS 89 HA LYS 89 14.750 -3.094 4.596
717 HB2 LYS 89 HB2 LYS 89 15.582 -2.886 7.504
718 HB3 LYS 89 HB3 LYS 89 15.449 -4.394 6.606
719 HG2 LYS 89 HG2 LYS 89 17.105 -3.517 4.957
720 HG3 LYS 89 HG3 LYS 89 17.296 -2.080 5.963
721 HD2 LYS 89 HD2 LYS 89 17.965 -3.556 7.867
722 HD3 LYS 89 HD3 LYS 89 17.893 -4.940 6.775
723 HE2 LYS 89 HE2 LYS 89 19.693 -2.518 6.479
724 HE3 LYS 89 HE3 LYS 89 20.200 -4.145 6.931
725 HZ1 LYS 89 HZ1 LYS 89 19.586 -4.968 4.814
726 HZ2 LYS 89 HZ2 LYS 89 20.509 -3.569 4.540
727 HZ3 LYS 89 HZ3 LYS 89 18.818 -3.519 4.385
728 H ASP 90 H ASP 90 13.378 -1.682 7.569
729 HA ASP 90 HA ASP 90 11.304 -3.627 7.876
730 HB2 ASP 90 HB2 ASP 90 11.507 -0.736 8.757
731 HB3 ASP 90 HB3 ASP 90 10.179 -1.799 9.216
732 H ARG 91 H ARG 91 11.534 -0.632 6.008
733 HA ARG 91 HA ARG 91 8.822 -0.325 5.287
734 HB2 ARG 91 HB2 ARG 91 10.657 1.281 4.712
735 HB3 ARG 91 HB3 ARG 91 11.221 0.141 3.491
736 HG2 ARG 91 HG2 ARG 91 8.938 0.240 2.442
737 HG3 ARG 91 HG3 ARG 91 8.529 1.527 3.579
738 HD2 ARG 91 HD2 ARG 91 10.793 1.593 1.562
739 HD3 ARG 91 HD3 ARG 91 9.278 2.488 1.447
740 HE ARG 91 HE ARG 91 10.515 3.140 3.929
741 HH11 ARG 91 HH21 ARG 91 10.910 3.471 0.520
742 HH12 ARG 91 HH22 ARG 91 11.777 4.966 0.631
743 HH21 ARG 91 HH11 ARG 91 11.647 5.092 4.093
744 HH22 ARG 91 HH12 ARG 91 12.194 5.884 2.654
745 H ASN 92 H ASN 92 11.346 -2.362 3.835
746 HA ASN 92 HA ASN 92 9.815 -3.336 1.648
747 HB2 ASN 92 HB2 ASN 92 12.026 -4.670 3.237
748 HB3 ASN 92 HB3 ASN 92 11.408 -5.258 1.696
749 HD21 ASN 92 HD21 ASN 92 14.140 -4.446 1.975
750 HD22 ASN 92 HD22 ASN 92 14.379 -3.041 1.053
751 H ASP 93 H ASP 93 10.079 -4.447 5.007
752 HA ASP 93 HA ASP 93 8.608 -6.856 4.742
753 HB2 ASP 93 HB2 ASP 93 8.809 -4.915 7.059
754 HB3 ASP 93 HB3 ASP 93 8.071 -6.510 7.174
755 H LEU 94 H LEU 94 7.519 -3.512 5.179
756 HA LEU 94 HA LEU 94 4.760 -4.048 5.608
757 HB2 LEU 94 HB2 LEU 94 6.057 -1.709 4.176
758 HB3 LEU 94 HB3 LEU 94 4.412 -1.742 4.798
759 HG LEU 94 HG LEU 94 6.934 -2.037 6.451
760 HD11 LEU 94 HD11 LEU 94 4.883 0.194 6.280
761 HD12 LEU 94 HD12 LEU 94 6.533 0.264 5.659
762 HD13 LEU 94 HD13 LEU 94 6.249 0.142 7.395
763 HD21 LEU 94 HD21 LEU 94 5.051 -1.648 8.281
764 HD22 LEU 94 HD22 LEU 94 5.379 -3.268 7.664
765 HD23 LEU 94 HD23 LEU 94 4.010 -2.347 7.040
766 H ILE 95 H ILE 95 6.586 -3.557 2.588
767 HA ILE 95 HA ILE 95 4.390 -3.698 0.805
768 HB ILE 95 HB ILE 95 7.242 -4.640 0.389
769 HG12 ILE 95 HG12 ILE 95 5.948 -1.965 -0.233
770 HG13 ILE 95 HG13 ILE 95 6.991 -2.265 1.158
771 HG21 ILE 95 HG21 ILE 95 5.038 -3.880 -1.541
772 HG22 ILE 95 HG22 ILE 95 5.756 -5.477 -1.342
773 HG23 ILE 95 HG23 ILE 95 6.717 -4.154 -2.003
774 HD11 ILE 95 HD11 ILE 95 8.677 -3.168 -0.633
775 HD12 ILE 95 HD12 ILE 95 8.509 -1.426 -0.412
776 HD13 ILE 95 HD13 ILE 95 7.703 -2.226 -1.762
777 H THR 96 H THR 96 6.509 -6.271 2.056
778 HA THR 96 HA THR 96 5.320 -8.431 0.640
779 HB THR 96 HB THR 96 6.464 -8.550 3.446
780 HG1 THR 96 HG1 THR 96 8.213 -7.898 2.508
781 HG21 THR 96 HG21 THR 96 6.215 -10.771 3.216
782 HG22 THR 96 HG22 THR 96 7.148 -10.735 1.720
783 HG23 THR 96 HG23 THR 96 5.400 -10.504 1.675
784 H TYR 97 H TYR 97 4.466 -6.937 3.753
785 HA TYR 97 HA TYR 97 2.451 -8.793 4.513
786 HB2 TYR 97 HB2 TYR 97 3.332 -7.058 6.034
787 HB3 TYR 97 HB3 TYR 97 2.560 -5.810 5.058
788 HD1 TYR 97 HD2 TYR 97 1.949 -8.711 7.283
789 HD2 TYR 97 HD1 TYR 97 0.188 -5.413 5.167
790 HE1 TYR 97 HE2 TYR 97 -0.173 -9.048 8.521
791 HE2 TYR 97 HE1 TYR 97 -1.933 -5.752 6.405
792 HH TYR 97 HH TYR 97 -2.423 -6.940 8.919
793 H LEU 98 H LEU 98 2.271 -5.893 2.444
794 HA LEU 98 HA LEU 98 -0.539 -5.821 2.119
795 HB2 LEU 98 HB2 LEU 98 1.799 -4.808 0.640
796 HB3 LEU 98 HB3 LEU 98 0.375 -5.087 -0.364
797 HG LEU 98 HG LEU 98 -0.976 -3.651 0.998
798 HD11 LEU 98 HD11 LEU 98 -0.545 -3.819 3.223
799 HD12 LEU 98 HD12 LEU 98 0.583 -2.491 2.933
800 HD13 LEU 98 HD13 LEU 98 1.167 -4.155 2.958
801 HD21 LEU 98 HD21 LEU 98 1.394 -2.757 -0.286
802 HD22 LEU 98 HD22 LEU 98 1.223 -1.805 1.188
803 HD23 LEU 98 HD23 LEU 98 -0.084 -1.839 0.005
804 H LYS 99 H LYS 99 1.902 -7.768 0.427
805 HA LYS 99 HA LYS 99 0.182 -8.901 -1.530
806 HB2 LYS 99 HB2 LYS 99 2.666 -9.211 -1.475
807 HB3 LYS 99 HB3 LYS 99 2.468 -10.285 -0.089
808 HG2 LYS 99 HG2 LYS 99 1.066 -11.791 -1.433
809 HG3 LYS 99 HG3 LYS 99 1.213 -10.709 -2.817
810 HD2 LYS 99 HD2 LYS 99 2.824 -12.492 -3.100
811 HD3 LYS 99 HD3 LYS 99 3.709 -11.019 -2.703
812 HE2 LYS 99 HE2 LYS 99 4.187 -11.734 -0.528
813 HE3 LYS 99 HE3 LYS 99 2.843 -12.876 -0.502
814 HZ1 LYS 99 HZ1 LYS 99 5.318 -13.131 -2.124
815 HZ2 LYS 99 HZ2 LYS 99 4.012 -14.219 -2.145
816 HZ3 LYS 99 HZ3 LYS 99 4.941 -14.027 -0.735
817 H LYS 100 H LYS 100 0.832 -9.816 1.833
818 HA LYS 100 HA LYS 100 -0.727 -12.206 1.859
819 HB2 LYS 100 HB2 LYS 100 0.880 -11.526 3.654
820 HB3 LYS 100 HB3 LYS 100 -0.268 -10.284 4.157
821 HG2 LYS 100 HG2 LYS 100 -1.962 -11.991 4.617
822 HG3 LYS 100 HG3 LYS 100 -0.875 -13.253 4.037
823 HD2 LYS 100 HD2 LYS 100 -0.753 -13.217 6.455
824 HD3 LYS 100 HD3 LYS 100 0.761 -12.568 5.823
825 HE2 LYS 100 HE2 LYS 100 0.213 -10.369 6.402
826 HE3 LYS 100 HE3 LYS 100 -1.517 -10.708 6.452
827 HZ1 LYS 100 HZ1 LYS 100 0.412 -10.902 8.530
828 HZ2 LYS 100 HZ2 LYS 100 -0.392 -12.382 8.315
829 HZ3 LYS 100 HZ3 LYS 100 -1.280 -10.967 8.627
830 H ALA 101 H ALA 101 -1.609 -8.802 2.338
831 HA ALA 101 HA ALA 101 -4.254 -9.271 3.294
832 HB1 ALA 101 HB1 ALA 101 -2.710 -7.004 2.290
833 HB2 ALA 101 HB2 ALA 101 -3.974 -7.040 3.520
834 HB3 ALA 101 HB3 ALA 101 -4.406 -6.916 1.815
835 H THR 102 H THR 102 -2.972 -8.993 -0.015
836 HA THR 102 HA THR 102 -5.577 -9.117 -1.261
837 HB THR 102 HB THR 102 -3.087 -8.505 -2.173
838 HG1 THR 102 HG1 THR 102 -4.331 -9.143 -4.307
839 HG21 THR 102 HG21 THR 102 -2.550 -11.000 -2.123
840 HG22 THR 102 HG22 THR 102 -2.276 -10.184 -3.661
841 HG23 THR 102 HG23 THR 102 -3.714 -11.179 -3.438
842 H GLU 103 H GLU 103 -3.276 -11.520 -0.138
843 HA GLU 103 HA GLU 103 -3.418 -13.861 -0.063
844 HB2 GLU 103 HB2 GLU 103 -6.379 -13.204 -0.168
845 HB3 GLU 103 HB3 GLU 103 -5.699 -14.762 0.299
846 HG2 GLU 103 HG2 GLU 103 -4.472 -13.647 2.151
847 HG3 GLU 103 HG3 GLU 103 -5.231 -12.118 1.708
848 HHA HEC 104 HA HEC 104 -3.768 4.484 -2.150
849 HHB HEC 104 HB HEC 104 0.985 1.458 0.668
850 HHC HEC 104 HC HEC 104 -0.410 4.341 6.132
851 HHD HEC 104 HD HEC 104 -4.938 7.652 3.191
852 HMA1 HEC 104 1HMA HEC 104 0.063 0.194 -1.031
853 HMA2 HEC 104 2HMA HEC 104 1.002 1.198 -2.134
854 HMA3 HEC 104 3HMA HEC 104 -0.549 0.531 -2.652
855 HAA1 HEC 104 1HAA HEC 104 -1.098 2.363 -3.903
856 HAA2 HEC 104 2HAA HEC 104 -2.778 2.835 -3.705
857 HBA1 HEC 104 1HBA HEC 104 -0.355 4.541 -4.046
858 HBA2 HEC 104 2HBA HEC 104 -1.662 5.166 -3.040
859 HMB1 HEC 104 1HMB HEC 104 3.323 2.037 3.572
860 HMB2 HEC 104 2HMB HEC 104 2.598 0.496 3.107
861 HMB3 HEC 104 3HMB HEC 104 2.821 1.766 1.908
862 HAB HEC 104 HAB HEC 104 1.789 2.667 6.356
863 HBB1 HEC 104 1HBB HEC 104 2.868 0.765 5.359
864 HBB2 HEC 104 2HBB HEC 104 1.325 0.038 4.918
865 HBB3 HEC 104 3HBB HEC 104 1.820 0.108 6.603
866 HMC1 HEC 104 1HMC HEC 104 -1.890 5.869 7.877
867 HMC2 HEC 104 2HMC HEC 104 -2.081 7.560 7.415
868 HMC3 HEC 104 3HMC HEC 104 -0.630 6.677 6.944
869 HAC HEC 104 HAC HEC 104 -5.398 7.473 5.367
870 HBC1 HEC 104 1HBC HEC 104 -4.526 9.471 6.964
871 HBC2 HEC 104 2HBC HEC 104 -3.082 9.239 5.978
872 HBC3 HEC 104 3HBC HEC 104 -4.622 9.628 5.210
873 HMD1 HEC 104 1HMD HEC 104 -6.887 8.130 1.091
874 HMD2 HEC 104 2HMD HEC 104 -5.987 8.678 -0.323
875 HMD3 HEC 104 3HMD HEC 104 -5.339 8.949 1.295
876 HAD1 HEC 104 1HAD HEC 104 -6.950 6.360 -1.315
877 HAD2 HEC 104 2HAD HEC 104 -5.966 5.080 -2.006
878 HBD1 HEC 104 1HBD HEC 104 -5.185 7.952 -2.408
879 HBD2 HEC 104 2HBD HEC 104 -4.805 6.548 -3.406
Start of MODEL 9
1 H1 THR -5 H1 THR -5 14.032 2.671 -5.176
2 H2 THR -5 H2 THR -5 13.202 1.640 -4.112
3 H3 THR -5 H3 THR -5 13.023 1.452 -5.790
4 HA THR -5 HA THR -5 15.473 0.976 -5.892
5 HB THR -5 HB THR -5 15.811 -0.065 -3.316
6 HG1 THR -5 HG1 THR -5 14.030 1.838 -3.188
7 HG21 THR -5 HG21 THR -5 17.511 1.764 -3.137
8 HG22 THR -5 HG22 THR -5 16.828 2.487 -4.591
9 HG23 THR -5 HG23 THR -5 17.583 0.896 -4.670
10 H GLU -4 H GLU -4 16.158 -1.415 -5.295
11 HA GLU -4 HA GLU -4 14.159 -3.169 -6.283
12 HB2 GLU -4 HB2 GLU -4 16.602 -3.818 -4.603
13 HB3 GLU -4 HB3 GLU -4 15.664 -4.992 -5.527
14 HG2 GLU -4 HG2 GLU -4 16.155 -3.718 -7.604
15 HG3 GLU -4 HG3 GLU -4 17.154 -2.608 -6.664
16 H PHE -3 H PHE -3 12.698 -4.549 -5.245
17 HA PHE -3 HA PHE -3 12.242 -3.950 -2.363
18 HB2 PHE -3 HB2 PHE -3 10.247 -3.517 -3.518
19 HB3 PHE -3 HB3 PHE -3 10.474 -4.877 -4.614
20 HD1 PHE -3 HD1 PHE -3 10.822 -4.904 -0.892
21 HD2 PHE -3 HD2 PHE -3 8.479 -6.110 -4.286
22 HE1 PHE -3 HE1 PHE -3 9.432 -6.335 0.573
23 HE2 PHE -3 HE2 PHE -3 7.090 -7.541 -2.814
24 HZ PHE -3 HZ PHE -3 7.565 -7.652 -0.385
25 H LYS -2 H LYS -2 12.718 -5.507 -0.890
26 HA LYS -2 HA LYS -2 13.221 -8.268 -1.893
27 HB2 LYS -2 HB2 LYS -2 15.108 -7.030 -0.759
28 HB3 LYS -2 HB3 LYS -2 14.145 -7.043 0.719
29 HG2 LYS -2 HG2 LYS -2 14.044 -9.523 0.606
30 HG3 LYS -2 HG3 LYS -2 15.073 -9.482 -0.827
31 HD2 LYS -2 HD2 LYS -2 16.809 -8.275 0.527
32 HD3 LYS -2 HD3 LYS -2 15.801 -8.521 1.954
33 HE2 LYS -2 HE2 LYS -2 15.900 -10.970 1.586
34 HE3 LYS -2 HE3 LYS -2 16.946 -10.708 0.191
35 HZ1 LYS -2 HZ1 LYS -2 17.969 -9.292 2.393
36 HZ2 LYS -2 HZ2 LYS -2 18.681 -10.573 1.534
37 HZ3 LYS -2 HZ3 LYS -2 17.683 -10.894 2.871
38 H ALA -1 H ALA -1 11.950 -9.920 -1.131
39 HA ALA -1 HA ALA -1 9.597 -9.277 0.432
40 HB1 ALA -1 HB1 ALA -1 9.407 -11.875 0.437
41 HB2 ALA -1 HB2 ALA -1 10.778 -11.818 -0.670
42 HB3 ALA -1 HB3 ALA -1 9.263 -11.026 -1.103
43 H GLY 1 H GLY 1 10.119 -8.629 2.520
44 HA2 GLY 1 HA2 GLY 1 12.090 -10.087 4.115
45 HA3 GLY 1 HA3 GLY 1 11.072 -8.763 4.685
46 H SER 2 H SER 2 9.839 -9.496 6.351
47 HA SER 2 HA SER 2 8.563 -12.192 6.052
48 HB2 SER 2 HB2 SER 2 9.363 -10.771 8.609
49 HB3 SER 2 HB3 SER 2 8.593 -12.352 8.507
50 HG SER 2 HG SER 2 11.186 -11.554 7.740
51 H ALA 3 H ALA 3 6.350 -12.282 6.388
52 HA ALA 3 HA ALA 3 4.860 -9.816 6.227
53 HB1 ALA 3 HB1 ALA 3 4.326 -12.629 5.983
54 HB2 ALA 3 HB2 ALA 3 3.337 -11.273 5.443
55 HB3 ALA 3 HB3 ALA 3 3.141 -11.912 7.076
56 H LYS 4 H LYS 4 5.615 -12.060 8.857
57 HA LYS 4 HA LYS 4 3.839 -11.019 10.814
58 HB2 LYS 4 HB2 LYS 4 6.635 -12.095 11.269
59 HB3 LYS 4 HB3 LYS 4 5.315 -12.060 12.435
60 HG2 LYS 4 HG2 LYS 4 3.990 -13.546 10.966
61 HG3 LYS 4 HG3 LYS 4 5.343 -13.599 9.835
62 HD2 LYS 4 HD2 LYS 4 5.422 -15.583 11.250
63 HD3 LYS 4 HD3 LYS 4 6.779 -14.531 11.654
64 HE2 LYS 4 HE2 LYS 4 5.972 -14.078 13.736
65 HE3 LYS 4 HE3 LYS 4 4.301 -14.005 13.179
66 HZ1 LYS 4 HZ1 LYS 4 5.878 -16.323 14.033
67 HZ2 LYS 4 HZ2 LYS 4 4.668 -16.554 12.862
68 HZ3 LYS 4 HZ3 LYS 4 4.269 -15.923 14.389
69 H LYS 5 H LYS 5 7.224 -10.199 10.120
70 HA LYS 5 HA LYS 5 7.466 -8.135 12.068
71 HB2 LYS 5 HB2 LYS 5 8.869 -8.488 9.404
72 HB3 LYS 5 HB3 LYS 5 9.365 -7.348 10.650
73 HG2 LYS 5 HG2 LYS 5 9.596 -9.251 12.250
74 HG3 LYS 5 HG3 LYS 5 9.223 -10.360 10.930
75 HD2 LYS 5 HD2 LYS 5 11.172 -9.442 9.664
76 HD3 LYS 5 HD3 LYS 5 11.574 -8.451 11.066
77 HE2 LYS 5 HE2 LYS 5 12.888 -10.272 11.560
78 HE3 LYS 5 HE3 LYS 5 11.385 -10.832 12.294
79 HZ1 LYS 5 HZ1 LYS 5 11.400 -12.530 10.897
80 HZ2 LYS 5 HZ2 LYS 5 12.811 -11.952 10.147
81 HZ3 LYS 5 HZ3 LYS 5 11.284 -11.461 9.583
82 H GLY 6 H GLY 6 6.510 -7.990 8.633
83 HA2 GLY 6 HA2 GLY 6 6.176 -5.130 8.598
84 HA3 GLY 6 HA3 GLY 6 5.494 -6.251 7.421
85 H ALA 7 H ALA 7 3.973 -7.834 9.268
86 HA ALA 7 HA ALA 7 1.559 -6.332 9.372
87 HB1 ALA 7 HB1 ALA 7 0.605 -8.205 10.450
88 HB2 ALA 7 HB2 ALA 7 2.130 -8.648 11.217
89 HB3 ALA 7 HB3 ALA 7 1.908 -8.899 9.485
90 H THR 8 H THR 8 4.023 -6.960 11.851
91 HA THR 8 HA THR 8 2.607 -5.705 14.010
92 HB THR 8 HB THR 8 4.733 -5.724 15.150
93 HG1 THR 8 HG1 THR 8 5.650 -5.561 12.557
94 HG21 THR 8 HG21 THR 8 5.457 -8.099 13.749
95 HG22 THR 8 HG22 THR 8 3.698 -7.981 13.749
96 HG23 THR 8 HG23 THR 8 4.585 -7.961 15.275
97 H LEU 9 H LEU 9 5.102 -4.541 11.777
98 HA LEU 9 HA LEU 9 5.186 -1.850 12.752
99 HB2 LEU 9 HB2 LEU 9 6.802 -3.067 11.127
100 HB3 LEU 9 HB3 LEU 9 5.646 -2.656 9.871
101 HG LEU 9 HG LEU 9 6.485 -0.421 11.652
102 HD11 LEU 9 HD11 LEU 9 8.305 -1.723 9.611
103 HD12 LEU 9 HD12 LEU 9 8.636 -1.483 11.327
104 HD13 LEU 9 HD13 LEU 9 8.543 -0.094 10.243
105 HD21 LEU 9 HD21 LEU 9 4.909 -0.293 9.646
106 HD22 LEU 9 HD22 LEU 9 6.316 -0.620 8.636
107 HD23 LEU 9 HD23 LEU 9 6.260 0.840 9.621
108 H PHE 10 H PHE 10 3.324 -3.428 10.200
109 HA PHE 10 HA PHE 10 1.972 -1.131 9.189
110 HB2 PHE 10 HB2 PHE 10 2.020 -3.386 8.107
111 HB3 PHE 10 HB3 PHE 10 0.951 -3.984 9.373
112 HD1 PHE 10 HD1 PHE 10 -1.387 -3.237 9.515
113 HD2 PHE 10 HD2 PHE 10 1.209 -1.898 6.368
114 HE1 PHE 10 HE1 PHE 10 -3.354 -2.438 8.233
115 HE2 PHE 10 HE2 PHE 10 -0.756 -1.091 5.088
116 HZ PHE 10 HZ PHE 10 -3.038 -1.364 6.020
117 H LYS 11 H LYS 11 1.005 -3.461 11.712
118 HA LYS 11 HA LYS 11 -1.506 -2.272 12.310
119 HB2 LYS 11 HB2 LYS 11 -0.788 -4.542 13.046
120 HB3 LYS 11 HB3 LYS 11 0.309 -3.785 14.201
121 HG2 LYS 11 HG2 LYS 11 -1.625 -2.628 15.248
122 HG3 LYS 11 HG3 LYS 11 -2.705 -3.458 14.127
123 HD2 LYS 11 HD2 LYS 11 -1.835 -5.644 14.995
124 HD3 LYS 11 HD3 LYS 11 -0.913 -4.748 16.203
125 HE2 LYS 11 HE2 LYS 11 -2.918 -3.871 17.201
126 HE3 LYS 11 HE3 LYS 11 -3.911 -4.483 15.878
127 HZ1 LYS 11 HZ1 LYS 11 -2.275 -6.417 17.321
128 HZ2 LYS 11 HZ2 LYS 11 -3.831 -6.588 16.660
129 HZ3 LYS 11 HZ3 LYS 11 -3.617 -5.787 18.143
130 H THR 12 H THR 12 1.735 -1.597 13.597
131 HA THR 12 HA THR 12 0.575 0.405 15.443
132 HB THR 12 HB THR 12 2.818 0.564 16.377
133 HG1 THR 12 HG1 THR 12 4.050 -1.351 15.018
134 HG21 THR 12 HG21 THR 12 1.218 -1.521 16.692
135 HG22 THR 12 HG22 THR 12 2.847 -1.530 17.372
136 HG23 THR 12 HG23 THR 12 2.520 -2.369 15.856
137 H ARG 13 H ARG 13 1.582 0.440 12.242
138 HA ARG 13 HA ARG 13 2.000 3.379 12.439
139 HB2 ARG 13 HB2 ARG 13 3.837 1.482 10.956
140 HB3 ARG 13 HB3 ARG 13 3.910 3.240 10.860
141 HG2 ARG 13 HG2 ARG 13 4.180 3.272 13.378
142 HG3 ARG 13 HG3 ARG 13 4.355 1.520 13.311
143 HD2 ARG 13 HD2 ARG 13 6.241 1.849 11.669
144 HD3 ARG 13 HD3 ARG 13 6.136 3.579 11.985
145 HE ARG 13 HE ARG 13 7.260 1.572 13.788
146 HH11 ARG 13 HH21 ARG 13 5.760 4.656 13.429
147 HH12 ARG 13 HH22 ARG 13 6.416 5.295 14.898
148 HH21 ARG 13 HH11 ARG 13 8.125 2.389 15.709
149 HH22 ARG 13 HH12 ARG 13 7.755 4.012 16.190
150 H CYS 14 H CYS 14 0.034 1.190 11.237
151 HA CYS 14 HA CYS 14 -0.824 2.853 9.039
152 HB2 CYS 14 HB2 CYS 14 1.272 1.597 8.187
153 HB3 CYS 14 HB3 CYS 14 0.233 0.174 8.158
154 H LEU 15 H LEU 15 -2.582 2.370 10.707
155 HA LEU 15 HA LEU 15 -4.218 0.136 9.661
156 HB2 LEU 15 HB2 LEU 15 -4.803 -0.655 11.901
157 HB3 LEU 15 HB3 LEU 15 -3.062 -0.759 11.668
158 HG LEU 15 HG LEU 15 -4.479 1.518 13.087
159 HD11 LEU 15 HD11 LEU 15 -3.016 0.355 15.002
160 HD12 LEU 15 HD12 LEU 15 -3.305 -1.068 14.000
161 HD13 LEU 15 HD13 LEU 15 -4.668 -0.159 14.655
162 HD21 LEU 15 HD21 LEU 15 -2.494 2.506 12.466
163 HD22 LEU 15 HD22 LEU 15 -1.664 0.960 12.277
164 HD23 LEU 15 HD23 LEU 15 -1.908 1.641 13.884
165 H GLN 16 H GLN 16 -3.961 3.093 11.563
166 HA GLN 16 HA GLN 16 -6.713 3.563 12.052
167 HB2 GLN 16 HB2 GLN 16 -6.100 5.919 12.249
168 HB3 GLN 16 HB3 GLN 16 -4.829 4.932 12.974
169 HG2 GLN 16 HG2 GLN 16 -3.587 5.043 10.792
170 HG3 GLN 16 HG3 GLN 16 -4.800 6.184 10.212
171 HE21 GLN 16 HE21 GLN 16 -3.599 8.135 10.194
172 HE22 GLN 16 HE22 GLN 16 -2.833 8.784 11.562
173 H CYS 17 H CYS 17 -4.753 4.038 9.162
174 HA CYS 17 HA CYS 17 -6.970 5.372 7.745
175 HB2 CYS 17 HB2 CYS 17 -4.169 4.556 6.942
176 HB3 CYS 17 HB3 CYS 17 -5.323 5.248 5.806
177 H HIS 18 H HIS 18 -4.902 2.898 6.345
178 HA HIS 18 HA HIS 18 -6.965 1.678 4.845
179 HB2 HIS 18 HB2 HIS 18 -4.285 0.634 5.784
180 HB3 HIS 18 HB3 HIS 18 -5.345 -0.289 4.716
181 HD1 HIS 18 HD1 HIS 18 -5.745 0.644 2.313
182 HD2 HIS 18 HD2 HIS 18 -3.065 2.901 4.582
183 HE1 HIS 18 HE1 HIS 18 -4.616 2.253 0.707
184 H THR 19 H THR 19 -5.784 0.953 8.101
185 HA THR 19 HA THR 19 -6.559 -0.644 9.663
186 HB THR 19 HB THR 19 -9.325 -0.114 8.640
187 HG1 THR 19 HG1 THR 19 -8.104 1.833 10.202
188 HG21 THR 19 HG21 THR 19 -9.914 -0.348 10.856
189 HG22 THR 19 HG22 THR 19 -8.391 0.322 11.441
190 HG23 THR 19 HG23 THR 19 -8.454 -1.336 10.844
191 H VAL 20 H VAL 20 -5.605 -2.170 7.784
192 HA VAL 20 HA VAL 20 -7.215 -3.653 6.064
193 HB VAL 20 HB VAL 20 -4.876 -4.520 7.762
194 HG11 VAL 20 HG11 VAL 20 -4.905 -6.247 5.666
195 HG12 VAL 20 HG12 VAL 20 -6.635 -6.053 5.945
196 HG13 VAL 20 HG13 VAL 20 -5.589 -6.624 7.246
197 HG21 VAL 20 HG21 VAL 20 -4.886 -2.752 5.745
198 HG22 VAL 20 HG22 VAL 20 -4.803 -4.236 4.795
199 HG23 VAL 20 HG23 VAL 20 -3.552 -3.881 5.986
200 H GLU 21 H GLU 21 -6.670 -4.215 9.540
201 HA GLU 21 HA GLU 21 -7.719 -5.788 10.980
202 HB2 GLU 21 HB2 GLU 21 -9.210 -3.693 10.700
203 HB3 GLU 21 HB3 GLU 21 -10.220 -4.709 9.674
204 HG2 GLU 21 HG2 GLU 21 -10.418 -6.347 11.551
205 HG3 GLU 21 HG3 GLU 21 -9.490 -5.248 12.568
206 H LYS 22 H LYS 22 -7.098 -6.833 8.240
207 HA LYS 22 HA LYS 22 -7.548 -8.749 6.987
208 HB2 LYS 22 HB2 LYS 22 -7.786 -9.456 9.594
209 HB3 LYS 22 HB3 LYS 22 -9.408 -9.845 9.021
210 HG2 LYS 22 HG2 LYS 22 -8.262 -11.818 8.560
211 HG3 LYS 22 HG3 LYS 22 -8.126 -10.970 7.022
212 HD2 LYS 22 HD2 LYS 22 -5.913 -10.035 7.878
213 HD3 LYS 22 HD3 LYS 22 -6.041 -11.189 9.204
214 HE2 LYS 22 HE2 LYS 22 -5.976 -11.852 6.249
215 HE3 LYS 22 HE3 LYS 22 -4.692 -12.160 7.418
216 HZ1 LYS 22 HZ1 LYS 22 -7.088 -13.244 8.395
217 HZ2 LYS 22 HZ2 LYS 22 -5.663 -14.057 7.954
218 HZ3 LYS 22 HZ3 LYS 22 -6.878 -13.780 6.799
219 H GLY 23 H GLY 23 -9.055 -6.670 6.145
220 HA2 GLY 23 HA2 GLY 23 -10.910 -6.504 4.651
221 HA3 GLY 23 HA3 GLY 23 -11.535 -8.019 5.300
222 H GLY 24 H GLY 24 -10.865 -4.696 6.469
223 HA2 GLY 24 HA2 GLY 24 -13.420 -4.869 8.020
224 HA3 GLY 24 HA3 GLY 24 -12.032 -3.909 8.529
225 HA PRO 25 HA PRO 25 -15.377 -1.408 6.128
226 HB2 PRO 25 HB2 PRO 25 -14.678 0.357 8.434
227 HB3 PRO 25 HB3 PRO 25 -16.256 0.052 7.684
228 HG2 PRO 25 HG2 PRO 25 -15.556 -1.037 10.027
229 HG3 PRO 25 HG3 PRO 25 -16.598 -1.872 8.864
230 HD2 PRO 25 HD2 PRO 25 -13.776 -2.437 9.588
231 HD3 PRO 25 HD3 PRO 25 -15.010 -3.522 8.912
232 H HIS 26 H HIS 26 -14.967 0.775 5.160
233 HA HIS 26 HA HIS 26 -12.049 1.175 4.745
234 HB2 HIS 26 HB2 HIS 26 -14.419 2.302 3.222
235 HB3 HIS 26 HB3 HIS 26 -12.726 2.524 2.797
236 HD1 HIS 26 HD1 HIS 26 -11.436 0.464 1.857
237 HD2 HIS 26 HD2 HIS 26 -15.472 -0.270 2.612
238 HE1 HIS 26 HE1 HIS 26 -11.995 -1.727 0.713
239 HE2 HIS 26 HE2 HIS 26 -14.444 -2.188 1.174
240 H LYS 27 H LYS 27 -11.041 3.073 5.303
241 HA LYS 27 HA LYS 27 -12.730 5.174 6.607
242 HB2 LYS 27 HB2 LYS 27 -9.879 4.335 7.239
243 HB3 LYS 27 HB3 LYS 27 -10.730 5.680 8.000
244 HG2 LYS 27 HG2 LYS 27 -12.493 4.078 8.760
245 HG3 LYS 27 HG3 LYS 27 -11.523 2.757 8.107
246 HD2 LYS 27 HD2 LYS 27 -9.636 3.470 9.583
247 HD3 LYS 27 HD3 LYS 27 -10.697 4.684 10.296
248 HE2 LYS 27 HE2 LYS 27 -12.080 2.181 10.308
249 HE3 LYS 27 HE3 LYS 27 -10.474 1.923 10.987
250 HZ1 LYS 27 HZ1 LYS 27 -10.841 3.436 12.665
251 HZ2 LYS 27 HZ2 LYS 27 -12.375 2.723 12.509
252 HZ3 LYS 27 HZ3 LYS 27 -12.072 4.248 11.826
253 H VAL 28 H VAL 28 -9.922 6.610 6.687
254 HA VAL 28 HA VAL 28 -10.374 8.297 4.438
255 HB VAL 28 HB VAL 28 -7.860 7.787 6.057
256 HG11 VAL 28 HG11 VAL 28 -8.464 9.785 3.869
257 HG12 VAL 28 HG12 VAL 28 -7.096 8.676 3.982
258 HG13 VAL 28 HG13 VAL 28 -7.201 10.061 5.070
259 HG21 VAL 28 HG21 VAL 28 -8.936 10.396 6.378
260 HG22 VAL 28 HG22 VAL 28 -8.888 9.098 7.570
261 HG23 VAL 28 HG23 VAL 28 -10.285 9.268 6.507
262 H GLY 29 H GLY 29 -8.270 5.472 4.866
263 HA2 GLY 29 HA2 GLY 29 -7.614 5.616 1.959
264 HA3 GLY 29 HA3 GLY 29 -6.659 4.745 3.159
265 HA PRO 30 HA PRO 30 -10.093 2.086 1.065
266 HB2 PRO 30 HB2 PRO 30 -8.470 0.731 -0.705
267 HB3 PRO 30 HB3 PRO 30 -9.425 2.163 -1.129
268 HG2 PRO 30 HG2 PRO 30 -6.533 1.931 -0.495
269 HG3 PRO 30 HG3 PRO 30 -7.353 2.964 -1.677
270 HD2 PRO 30 HD2 PRO 30 -6.446 3.908 0.716
271 HD3 PRO 30 HD3 PRO 30 -7.866 4.588 -0.111
272 H ASN 31 H ASN 31 -10.374 -0.128 1.649
273 HA ASN 31 HA ASN 31 -8.699 -1.172 3.709
274 HB2 ASN 31 HB2 ASN 31 -11.092 -1.908 3.119
275 HB3 ASN 31 HB3 ASN 31 -10.366 -2.866 1.828
276 HD21 ASN 31 HD21 ASN 31 -7.919 -3.111 3.820
277 HD22 ASN 31 HD22 ASN 31 -8.393 -4.396 4.822
278 H LEU 32 H LEU 32 -6.555 -1.487 3.276
279 HA LEU 32 HA LEU 32 -5.592 -2.131 0.653
280 HB2 LEU 32 HB2 LEU 32 -4.379 -0.950 2.643
281 HB3 LEU 32 HB3 LEU 32 -4.002 -2.585 3.173
282 HG LEU 32 HG LEU 32 -2.852 -3.050 1.057
283 HD11 LEU 32 HD11 LEU 32 -4.114 -0.441 0.329
284 HD12 LEU 32 HD12 LEU 32 -3.803 -1.856 -0.682
285 HD13 LEU 32 HD13 LEU 32 -2.493 -0.741 -0.297
286 HD21 LEU 32 HD21 LEU 32 -1.647 -1.874 2.925
287 HD22 LEU 32 HD22 LEU 32 -2.018 -0.340 2.134
288 HD23 LEU 32 HD23 LEU 32 -0.983 -1.519 1.328
289 H HIS 33 H HIS 33 -7.385 -3.995 0.877
290 HA HIS 33 HA HIS 33 -5.830 -6.493 1.372
291 HB2 HIS 33 HB2 HIS 33 -8.106 -5.634 2.800
292 HB3 HIS 33 HB3 HIS 33 -8.678 -6.889 1.700
293 HD1 HIS 33 HD1 HIS 33 -5.770 -6.370 4.121
294 HD2 HIS 33 HD2 HIS 33 -8.193 -9.428 2.653
295 HE1 HIS 33 HE1 HIS 33 -5.073 -8.479 5.339
296 HE2 HIS 33 HE2 HIS 33 -6.561 -10.344 4.472
297 H GLY 34 H GLY 34 -7.343 -4.585 -0.886
298 HA2 GLY 34 HA2 GLY 34 -7.627 -6.909 -2.706
299 HA3 GLY 34 HA3 GLY 34 -9.032 -5.867 -2.504
300 H ILE 35 H ILE 35 -5.957 -4.248 -2.367
301 HA ILE 35 HA ILE 35 -6.590 -2.589 -4.598
302 HB ILE 35 HB ILE 35 -4.072 -3.118 -3.044
303 HG12 ILE 35 HG12 ILE 35 -5.838 -0.720 -3.642
304 HG13 ILE 35 HG13 ILE 35 -5.591 -1.519 -2.091
305 HG21 ILE 35 HG21 ILE 35 -4.232 -1.623 -5.681
306 HG22 ILE 35 HG22 ILE 35 -3.196 -2.996 -5.295
307 HG23 ILE 35 HG23 ILE 35 -2.895 -1.441 -4.547
308 HD11 ILE 35 HD11 ILE 35 -3.822 0.400 -3.548
309 HD12 ILE 35 HD12 ILE 35 -3.052 -0.847 -2.569
310 HD13 ILE 35 HD13 ILE 35 -4.178 0.291 -1.824
311 H PHE 36 H PHE 36 -5.148 -5.738 -4.411
312 HA PHE 36 HA PHE 36 -4.213 -5.597 -7.222
313 HB2 PHE 36 HB2 PHE 36 -4.160 -7.945 -5.302
314 HB3 PHE 36 HB3 PHE 36 -3.246 -7.780 -6.801
315 HD1 PHE 36 HD1 PHE 36 -3.635 -6.493 -3.348
316 HD2 PHE 36 HD2 PHE 36 -1.234 -6.468 -6.906
317 HE1 PHE 36 HE1 PHE 36 -1.810 -5.359 -2.106
318 HE2 PHE 36 HE2 PHE 36 0.594 -5.332 -5.664
319 HZ PHE 36 HZ PHE 36 0.302 -4.779 -3.266
320 H GLY 37 H GLY 37 -5.459 -6.368 -8.893
321 HA2 GLY 37 HA2 GLY 37 -6.977 -8.570 -9.199
322 HA3 GLY 37 HA3 GLY 37 -8.066 -7.588 -8.222
323 H ARG 38 H ARG 38 -8.316 -5.242 -9.137
324 HA ARG 38 HA ARG 38 -8.750 -5.499 -12.078
325 HB2 ARG 38 HB2 ARG 38 -10.098 -3.742 -10.012
326 HB3 ARG 38 HB3 ARG 38 -10.405 -3.642 -11.744
327 HG2 ARG 38 HG2 ARG 38 -10.699 -6.239 -10.231
328 HG3 ARG 38 HG3 ARG 38 -12.023 -5.081 -10.352
329 HD2 ARG 38 HD2 ARG 38 -11.678 -5.151 -12.882
330 HD3 ARG 38 HD3 ARG 38 -10.633 -6.542 -12.611
331 HE ARG 38 HE ARG 38 -13.549 -6.510 -12.346
332 HH11 ARG 38 HH21 ARG 38 -10.538 -7.985 -11.543
333 HH12 ARG 38 HH22 ARG 38 -11.235 -9.534 -11.202
334 HH21 ARG 38 HH11 ARG 38 -14.477 -8.525 -11.906
335 HH22 ARG 38 HH12 ARG 38 -13.465 -9.839 -11.409
336 H HIS 39 H HIS 39 -8.993 -2.952 -12.882
337 HA HIS 39 HA HIS 39 -6.377 -2.037 -13.285
338 HB2 HIS 39 HB2 HIS 39 -8.923 -0.388 -13.177
339 HB3 HIS 39 HB3 HIS 39 -7.406 0.128 -13.909
340 HD1 HIS 39 HD1 HIS 39 -9.644 0.057 -15.849
341 HD2 HIS 39 HD2 HIS 39 -7.454 -3.380 -14.967
342 HE1 HIS 39 HE1 HIS 39 -9.978 -1.527 -17.800
343 HE2 HIS 39 HE2 HIS 39 -8.647 -3.622 -17.274
344 H SER 40 H SER 40 -5.952 0.478 -12.535
345 HA SER 40 HA SER 40 -5.061 0.314 -9.872
346 HB2 SER 40 HB2 SER 40 -5.836 3.003 -10.825
347 HB3 SER 40 HB3 SER 40 -4.292 2.438 -10.198
348 HG SER 40 HG SER 40 -4.664 2.946 -12.609
349 H GLY 41 H GLY 41 -5.998 0.975 -7.892
350 HA2 GLY 41 HA2 GLY 41 -7.710 1.647 -6.422
351 HA3 GLY 41 HA3 GLY 41 -8.571 2.322 -7.802
352 H GLN 42 H GLN 42 -10.571 1.426 -7.623
353 HA GLN 42 HA GLN 42 -12.245 -0.186 -7.840
354 HB2 GLN 42 HB2 GLN 42 -10.108 -2.267 -8.201
355 HB3 GLN 42 HB3 GLN 42 -11.740 -2.253 -8.857
356 HG2 GLN 42 HG2 GLN 42 -9.321 -0.728 -9.756
357 HG3 GLN 42 HG3 GLN 42 -10.505 -1.611 -10.719
358 HE21 GLN 42 HE21 GLN 42 -9.603 1.489 -9.657
359 HE22 GLN 42 HE22 GLN 42 -11.026 2.313 -10.080
360 H ALA 43 H ALA 43 -11.484 0.473 -5.250
361 HA ALA 43 HA ALA 43 -10.846 -1.876 -3.677
362 HB1 ALA 43 HB1 ALA 43 -11.943 -0.331 -1.825
363 HB2 ALA 43 HB2 ALA 43 -11.805 0.897 -3.079
364 HB3 ALA 43 HB3 ALA 43 -10.363 0.068 -2.500
365 H GLU 44 H GLU 44 -12.385 -2.946 -2.189
366 HA GLU 44 HA GLU 44 -14.751 -3.823 -3.495
367 HB2 GLU 44 HB2 GLU 44 -14.015 -3.908 -0.554
368 HB3 GLU 44 HB3 GLU 44 -15.351 -4.805 -1.278
369 HG2 GLU 44 HG2 GLU 44 -13.741 -5.926 -2.805
370 HG3 GLU 44 HG3 GLU 44 -12.419 -5.073 -2.008
371 H GLY 45 H GLY 45 -14.248 -1.237 -1.119
372 HA2 GLY 45 HA2 GLY 45 -17.060 -0.364 -1.649
373 HA3 GLY 45 HA3 GLY 45 -16.425 -0.377 -0.003
374 H TYR 46 H TYR 46 -13.869 0.603 -0.392
375 HA TYR 46 HA TYR 46 -14.253 3.409 -0.462
376 HB2 TYR 46 HB2 TYR 46 -12.294 2.374 0.580
377 HB3 TYR 46 HB3 TYR 46 -11.738 1.795 -0.986
378 HD1 TYR 46 HD1 TYR 46 -10.826 3.318 -2.648
379 HD2 TYR 46 HD2 TYR 46 -12.151 4.752 1.181
380 HE1 TYR 46 HE1 TYR 46 -9.645 5.455 -3.045
381 HE2 TYR 46 HE2 TYR 46 -10.974 6.891 0.785
382 HH TYR 46 HH TYR 46 -9.950 8.168 -0.787
383 H SER 47 H SER 47 -13.711 4.971 -2.095
384 HA SER 47 HA SER 47 -13.662 3.852 -4.875
385 HB2 SER 47 HB2 SER 47 -14.925 5.822 -5.580
386 HB3 SER 47 HB3 SER 47 -15.794 5.006 -4.284
387 HG SER 47 HG SER 47 -14.691 6.521 -2.850
388 H TYR 48 H TYR 48 -12.220 4.844 -6.337
389 HA TYR 48 HA TYR 48 -10.179 6.601 -5.051
390 HB2 TYR 48 HB2 TYR 48 -10.042 4.884 -7.548
391 HB3 TYR 48 HB3 TYR 48 -8.742 5.932 -6.986
392 HD1 TYR 48 HD2 TYR 48 -10.852 3.013 -6.025
393 HD2 TYR 48 HD1 TYR 48 -7.273 5.259 -5.257
394 HE1 TYR 48 HE2 TYR 48 -10.061 1.236 -4.485
395 HE2 TYR 48 HE1 TYR 48 -6.487 3.482 -3.719
396 HH TYR 48 HH TYR 48 -8.417 0.531 -3.182
397 H THR 49 H THR 49 -9.297 8.360 -6.399
398 HA THR 49 HA THR 49 -11.399 9.922 -7.612
399 HB THR 49 HB THR 49 -9.878 11.618 -7.531
400 HG1 THR 49 HG1 THR 49 -7.689 10.078 -8.316
401 HG21 THR 49 HG21 THR 49 -9.406 10.095 -5.481
402 HG22 THR 49 HG22 THR 49 -8.226 11.344 -5.876
403 HG23 THR 49 HG23 THR 49 -7.921 9.667 -6.333
404 H ASP 50 H ASP 50 -11.361 10.647 -9.903
405 HA ASP 50 HA ASP 50 -11.297 8.506 -11.743
406 HB2 ASP 50 HB2 ASP 50 -11.004 11.488 -12.217
407 HB3 ASP 50 HB3 ASP 50 -11.253 10.306 -13.504
408 H ALA 51 H ALA 51 -8.769 10.734 -10.726
409 HA ALA 51 HA ALA 51 -6.858 10.369 -12.720
410 HB1 ALA 51 HB1 ALA 51 -6.377 10.501 -9.734
411 HB2 ALA 51 HB2 ALA 51 -6.537 11.882 -10.815
412 HB3 ALA 51 HB3 ALA 51 -5.160 10.795 -10.977
413 H ASN 52 H ASN 52 -7.049 8.331 -9.748
414 HA ASN 52 HA ASN 52 -5.114 6.429 -10.621
415 HB2 ASN 52 HB2 ASN 52 -6.108 6.632 -8.299
416 HB3 ASN 52 HB3 ASN 52 -7.526 5.781 -8.916
417 HD21 ASN 52 HD21 ASN 52 -7.324 3.683 -8.072
418 HD22 ASN 52 HD22 ASN 52 -5.928 2.726 -8.209
419 H ILE 53 H ILE 53 -8.648 6.457 -11.061
420 HA ILE 53 HA ILE 53 -8.810 3.939 -12.408
421 HB ILE 53 HB ILE 53 -10.624 6.354 -12.653
422 HG12 ILE 53 HG12 ILE 53 -10.820 3.912 -10.860
423 HG13 ILE 53 HG13 ILE 53 -10.272 5.500 -10.322
424 HG21 ILE 53 HG21 ILE 53 -11.755 5.116 -14.152
425 HG22 ILE 53 HG22 ILE 53 -12.006 3.890 -12.909
426 HG23 ILE 53 HG23 ILE 53 -10.601 3.794 -13.971
427 HD11 ILE 53 HD11 ILE 53 -12.396 6.204 -10.094
428 HD12 ILE 53 HD12 ILE 53 -12.941 4.573 -10.490
429 HD13 ILE 53 HD13 ILE 53 -12.752 5.774 -11.768
430 H LYS 54 H LYS 54 -8.557 7.261 -13.746
431 HA LYS 54 HA LYS 54 -8.751 6.545 -16.473
432 HB2 LYS 54 HB2 LYS 54 -7.279 8.806 -15.113
433 HB3 LYS 54 HB3 LYS 54 -7.415 8.664 -16.863
434 HG2 LYS 54 HG2 LYS 54 -9.894 8.604 -16.635
435 HG3 LYS 54 HG3 LYS 54 -9.715 8.866 -14.902
436 HD2 LYS 54 HD2 LYS 54 -8.489 10.984 -15.382
437 HD3 LYS 54 HD3 LYS 54 -8.793 10.736 -17.102
438 HE2 LYS 54 HE2 LYS 54 -10.792 11.737 -16.858
439 HE3 LYS 54 HE3 LYS 54 -11.286 10.424 -15.788
440 HZ1 LYS 54 HZ1 LYS 54 -10.473 13.112 -15.148
441 HZ2 LYS 54 HZ2 LYS 54 -9.718 11.927 -14.193
442 HZ3 LYS 54 HZ3 LYS 54 -11.413 12.021 -14.253
443 H LYS 55 H LYS 55 -5.949 6.492 -14.318
444 HA LYS 55 HA LYS 55 -3.932 6.122 -16.276
445 HB2 LYS 55 HB2 LYS 55 -4.153 5.013 -13.462
446 HB3 LYS 55 HB3 LYS 55 -2.690 4.925 -14.443
447 HG2 LYS 55 HG2 LYS 55 -2.579 7.349 -14.588
448 HG3 LYS 55 HG3 LYS 55 -4.120 7.503 -13.749
449 HD2 LYS 55 HD2 LYS 55 -2.580 7.853 -12.020
450 HD3 LYS 55 HD3 LYS 55 -2.941 6.134 -11.858
451 HE2 LYS 55 HE2 LYS 55 -0.500 6.582 -11.771
452 HE3 LYS 55 HE3 LYS 55 -0.934 5.562 -13.140
453 HZ1 LYS 55 HZ1 LYS 55 0.317 8.086 -13.151
454 HZ2 LYS 55 HZ2 LYS 55 -1.160 8.196 -13.982
455 HZ3 LYS 55 HZ3 LYS 55 0.002 7.053 -14.458
456 H ASN 56 H ASN 56 -6.256 3.871 -14.893
457 HA ASN 56 HA ASN 56 -6.761 1.656 -15.444
458 HB2 ASN 56 HB2 ASN 56 -7.051 2.898 -17.681
459 HB3 ASN 56 HB3 ASN 56 -5.489 2.207 -18.121
460 HD21 ASN 56 HD21 ASN 56 -6.503 -0.147 -16.164
461 HD22 ASN 56 HD22 ASN 56 -7.418 -1.097 -17.233
462 H VAL 57 H VAL 57 -4.421 1.863 -14.011
463 HA VAL 57 HA VAL 57 -2.631 -0.098 -15.374
464 HB VAL 57 HB VAL 57 -1.475 2.027 -14.941
465 HG11 VAL 57 HG11 VAL 57 -2.404 1.544 -12.098
466 HG12 VAL 57 HG12 VAL 57 -2.736 2.943 -13.119
467 HG13 VAL 57 HG13 VAL 57 -1.106 2.662 -12.510
468 HG21 VAL 57 HG21 VAL 57 -0.344 0.354 -12.774
469 HG22 VAL 57 HG22 VAL 57 0.428 0.984 -14.229
470 HG23 VAL 57 HG23 VAL 57 -0.573 -0.465 -14.318
471 H LEU 58 H LEU 58 -2.105 -1.954 -14.235
472 HA LEU 58 HA LEU 58 -3.897 -2.600 -12.003
473 HB2 LEU 58 HB2 LEU 58 -3.516 -4.253 -13.772
474 HB3 LEU 58 HB3 LEU 58 -1.790 -4.244 -13.429
475 HG LEU 58 HG LEU 58 -2.224 -5.073 -11.150
476 HD11 LEU 58 HD11 LEU 58 -4.308 -4.273 -10.503
477 HD12 LEU 58 HD12 LEU 58 -4.702 -5.949 -10.894
478 HD13 LEU 58 HD13 LEU 58 -5.052 -4.668 -12.054
479 HD21 LEU 58 HD21 LEU 58 -1.835 -6.819 -12.706
480 HD22 LEU 58 HD22 LEU 58 -3.407 -6.593 -13.477
481 HD23 LEU 58 HD23 LEU 58 -3.308 -7.304 -11.866
482 H TRP 59 H TRP 59 -3.311 -2.614 -9.883
483 HA TRP 59 HA TRP 59 -0.673 -1.648 -9.125
484 HB2 TRP 59 HB2 TRP 59 -3.132 -2.533 -7.625
485 HB3 TRP 59 HB3 TRP 59 -1.619 -2.259 -6.768
486 HD1 TRP 59 HD1 TRP 59 -4.595 -0.481 -7.837
487 HE1 TRP 59 HE1 TRP 59 -4.227 2.089 -7.840
488 HE3 TRP 59 HE3 TRP 59 0.476 -0.341 -7.415
489 HZ2 TRP 59 HZ2 TRP 59 -2.050 3.930 -7.650
490 HZ3 TRP 59 HZ3 TRP 59 1.679 1.817 -7.313
491 HH2 TRP 59 HH2 TRP 59 0.421 3.953 -7.427
492 H ASP 60 H ASP 60 1.069 -2.874 -8.504
493 HA ASP 60 HA ASP 60 0.673 -5.754 -7.908
494 HB2 ASP 60 HB2 ASP 60 2.551 -4.674 -10.031
495 HB3 ASP 60 HB3 ASP 60 2.551 -6.337 -9.447
496 H GLU 61 H GLU 61 2.892 -6.686 -7.173
497 HA GLU 61 HA GLU 61 3.857 -5.117 -4.997
498 HB2 GLU 61 HB2 GLU 61 5.148 -7.465 -6.423
499 HB3 GLU 61 HB3 GLU 61 5.688 -6.813 -4.875
500 HG2 GLU 61 HG2 GLU 61 2.915 -7.914 -5.427
501 HG3 GLU 61 HG3 GLU 61 4.196 -8.775 -4.573
502 H ASN 62 H ASN 62 5.057 -5.572 -8.299
503 HA ASN 62 HA ASN 62 7.506 -4.107 -7.938
504 HB2 ASN 62 HB2 ASN 62 5.825 -4.596 -10.415
505 HB3 ASN 62 HB3 ASN 62 7.440 -3.890 -10.434
506 HD21 ASN 62 HD21 ASN 62 6.916 -6.371 -11.753
507 HD22 ASN 62 HD22 ASN 62 7.735 -7.607 -10.926
508 H ASN 63 H ASN 63 4.264 -3.166 -9.046
509 HA ASN 63 HA ASN 63 4.858 -0.431 -9.601
510 HB2 ASN 63 HB2 ASN 63 2.273 -1.663 -8.600
511 HB3 ASN 63 HB3 ASN 63 2.424 -0.058 -9.309
512 HD21 ASN 63 HD21 ASN 63 0.809 -2.227 -10.455
513 HD22 ASN 63 HD22 ASN 63 1.483 -2.592 -11.971
514 H MET 64 H MET 64 4.010 -2.121 -6.617
515 HA MET 64 HA MET 64 3.586 0.140 -4.948
516 HB2 MET 64 HB2 MET 64 4.626 -2.640 -4.417
517 HB3 MET 64 HB3 MET 64 4.452 -1.461 -3.118
518 HG2 MET 64 HG2 MET 64 2.483 -3.168 -3.852
519 HG3 MET 64 HG3 MET 64 2.173 -1.586 -3.143
520 HE1 MET 64 HE1 MET 64 -0.526 -0.823 -5.397
521 HE2 MET 64 HE2 MET 64 0.533 0.134 -4.368
522 HE3 MET 64 HE3 MET 64 0.014 -1.465 -3.840
523 H SER 65 H SER 65 6.585 -1.504 -5.927
524 HA SER 65 HA SER 65 8.346 -0.109 -4.174
525 HB2 SER 65 HB2 SER 65 8.934 -1.025 -7.005
526 HB3 SER 65 HB3 SER 65 10.117 -0.715 -5.736
527 HG SER 65 HG SER 65 8.416 -2.865 -6.126
528 H GLU 66 H GLU 66 7.158 0.688 -7.425
529 HA GLU 66 HA GLU 66 8.614 3.172 -7.619
530 HB2 GLU 66 HB2 GLU 66 6.125 2.184 -9.043
531 HB3 GLU 66 HB3 GLU 66 7.013 3.642 -9.481
532 HG2 GLU 66 HG2 GLU 66 9.054 2.271 -9.834
533 HG3 GLU 66 HG3 GLU 66 8.120 0.821 -9.466
534 H TYR 67 H TYR 67 5.500 2.213 -6.314
535 HA TYR 67 HA TYR 67 4.291 4.775 -6.088
536 HB2 TYR 67 HB2 TYR 67 3.000 2.762 -5.719
537 HB3 TYR 67 HB3 TYR 67 4.028 2.300 -4.363
538 HD1 TYR 67 HD1 TYR 67 1.742 5.014 -5.537
539 HD2 TYR 67 HD2 TYR 67 3.530 3.011 -2.193
540 HE1 TYR 67 HE1 TYR 67 0.316 6.324 -3.988
541 HE2 TYR 67 HE2 TYR 67 2.107 4.323 -0.643
542 HH TYR 67 HH TYR 67 -0.094 6.839 -1.867
543 H LEU 68 H LEU 68 6.226 2.985 -3.646
544 HA LEU 68 HA LEU 68 6.187 5.181 -1.780
545 HB2 LEU 68 HB2 LEU 68 8.015 2.778 -2.017
546 HB3 LEU 68 HB3 LEU 68 8.006 3.888 -0.652
547 HG LEU 68 HG LEU 68 5.614 2.282 -1.600
548 HD11 LEU 68 HD11 LEU 68 6.303 0.615 -0.253
549 HD12 LEU 68 HD12 LEU 68 6.538 1.738 1.087
550 HD13 LEU 68 HD13 LEU 68 7.839 1.464 -0.074
551 HD21 LEU 68 HD21 LEU 68 6.050 4.392 0.473
552 HD22 LEU 68 HD22 LEU 68 4.961 3.063 0.870
553 HD23 LEU 68 HD23 LEU 68 4.632 4.084 -0.528
554 H THR 69 H THR 69 8.530 4.090 -4.207
555 HA THR 69 HA THR 69 10.476 6.131 -3.521
556 HB THR 69 HB THR 69 11.661 5.392 -5.510
557 HG1 THR 69 HG1 THR 69 10.555 4.739 -7.147
558 HG21 THR 69 HG21 THR 69 10.949 2.726 -5.003
559 HG22 THR 69 HG22 THR 69 10.626 3.582 -3.495
560 HG23 THR 69 HG23 THR 69 12.234 3.643 -4.217
561 H ASN 70 H ASN 70 7.802 5.917 -5.828
562 HA ASN 70 HA ASN 70 8.110 8.828 -6.307
563 HB2 ASN 70 HB2 ASN 70 9.323 7.496 -8.121
564 HB3 ASN 70 HB3 ASN 70 7.733 6.920 -8.621
565 HD21 ASN 70 HD21 ASN 70 8.873 8.342 -10.581
566 HD22 ASN 70 HD22 ASN 70 8.290 9.934 -10.660
567 H HIS 71 H HIS 71 6.135 9.559 -5.651
568 HA HIS 71 HA HIS 71 3.740 8.491 -6.986
569 HB2 HIS 71 HB2 HIS 71 2.572 8.385 -4.689
570 HB3 HIS 71 HB3 HIS 71 3.655 7.058 -5.101
571 HD1 HIS 71 HD1 HIS 71 2.917 9.083 -2.331
572 HD2 HIS 71 HD2 HIS 71 6.515 7.959 -4.121
573 HE1 HIS 71 HE1 HIS 71 4.726 9.431 -0.590
574 HE2 HIS 71 HE2 HIS 71 6.918 8.753 -1.669
575 H ALA 72 H ALA 72 2.696 10.281 -7.669
576 HA ALA 72 HA ALA 72 1.869 12.416 -5.984
577 HB1 ALA 72 HB1 ALA 72 3.372 14.206 -7.072
578 HB2 ALA 72 HB2 ALA 72 4.425 12.870 -7.534
579 HB3 ALA 72 HB3 ALA 72 4.112 13.197 -5.830
580 H LYS 73 H LYS 73 3.086 13.656 -8.925
581 HA LYS 73 HA LYS 73 0.519 14.154 -10.035
582 HB2 LYS 73 HB2 LYS 73 3.202 13.888 -11.434
583 HB3 LYS 73 HB3 LYS 73 1.749 14.567 -12.170
584 HG2 LYS 73 HG2 LYS 73 1.671 16.271 -10.344
585 HG3 LYS 73 HG3 LYS 73 3.196 15.633 -9.728
586 HD2 LYS 73 HD2 LYS 73 4.242 16.106 -11.948
587 HD3 LYS 73 HD3 LYS 73 2.731 16.856 -12.463
588 HE2 LYS 73 HE2 LYS 73 3.399 18.783 -11.517
589 HE3 LYS 73 HE3 LYS 73 3.383 17.986 -9.944
590 HZ1 LYS 73 HZ1 LYS 73 5.667 17.066 -10.913
591 HZ2 LYS 73 HZ2 LYS 73 5.559 18.504 -10.014
592 HZ3 LYS 73 HZ3 LYS 73 5.619 18.562 -11.711
593 H TYR 74 H TYR 74 2.673 11.414 -10.265
594 HA TYR 74 HA TYR 74 1.572 10.020 -12.458
595 HB2 TYR 74 HB2 TYR 74 3.594 9.239 -11.447
596 HB3 TYR 74 HB3 TYR 74 2.830 9.092 -9.868
597 HD1 TYR 74 HD2 TYR 74 2.060 7.896 -13.358
598 HD2 TYR 74 HD1 TYR 74 2.485 6.929 -9.200
599 HE1 TYR 74 HE2 TYR 74 1.465 5.535 -13.845
600 HE2 TYR 74 HE1 TYR 74 1.893 4.576 -9.675
601 HH TYR 74 HH TYR 74 1.023 3.536 -12.977
602 H ILE 75 H ILE 75 0.527 10.091 -9.057
603 HA ILE 75 HA ILE 75 -1.996 8.692 -9.888
604 HB ILE 75 HB ILE 75 -1.894 8.320 -7.191
605 HG12 ILE 75 HG12 ILE 75 0.974 8.204 -8.152
606 HG13 ILE 75 HG13 ILE 75 0.320 9.489 -7.141
607 HG21 ILE 75 HG21 ILE 75 -0.617 6.100 -7.911
608 HG22 ILE 75 HG22 ILE 75 -0.909 6.722 -9.532
609 HG23 ILE 75 HG23 ILE 75 -2.267 6.397 -8.455
610 HD11 ILE 75 HD11 ILE 75 -0.292 6.806 -6.137
611 HD12 ILE 75 HD12 ILE 75 0.372 8.203 -5.286
612 HD13 ILE 75 HD13 ILE 75 1.437 7.146 -6.213
613 HA PRO 76 HA PRO 76 -4.711 11.929 -8.611
614 HB2 PRO 76 HB2 PRO 76 -5.412 10.589 -6.084
615 HB3 PRO 76 HB3 PRO 76 -6.446 11.003 -7.460
616 HG2 PRO 76 HG2 PRO 76 -5.287 8.469 -6.803
617 HG3 PRO 76 HG3 PRO 76 -6.368 8.875 -8.142
618 HD2 PRO 76 HD2 PRO 76 -3.713 8.127 -8.438
619 HD3 PRO 76 HD3 PRO 76 -4.638 9.032 -9.645
620 H GLY 77 H GLY 77 -4.851 13.674 -7.005
621 HA2 GLY 77 HA2 GLY 77 -2.326 14.276 -5.759
622 HA3 GLY 77 HA3 GLY 77 -3.810 15.208 -5.561
623 H THR 78 H THR 78 -3.975 11.832 -4.835
624 HA THR 78 HA THR 78 -4.876 12.246 -2.174
625 HB THR 78 HB THR 78 -5.111 10.152 -3.661
626 HG1 THR 78 HG1 THR 78 -5.480 10.465 -1.254
627 HG21 THR 78 HG21 THR 78 -3.377 8.638 -3.811
628 HG22 THR 78 HG22 THR 78 -2.655 9.156 -2.288
629 HG23 THR 78 HG23 THR 78 -2.446 10.135 -3.740
630 H LYS 79 H LYS 79 -3.812 12.113 -0.176
631 HA LYS 79 HA LYS 79 -0.830 11.929 -0.254
632 HB2 LYS 79 HB2 LYS 79 -1.587 14.315 -0.080
633 HB3 LYS 79 HB3 LYS 79 -2.424 13.898 1.416
634 HG2 LYS 79 HG2 LYS 79 -0.317 13.221 2.449
635 HG3 LYS 79 HG3 LYS 79 0.547 13.517 0.940
636 HD2 LYS 79 HD2 LYS 79 0.873 15.442 2.369
637 HD3 LYS 79 HD3 LYS 79 -0.210 15.915 1.061
638 HE2 LYS 79 HE2 LYS 79 -2.100 15.912 2.454
639 HE3 LYS 79 HE3 LYS 79 -1.330 14.877 3.657
640 HZ1 LYS 79 HZ1 LYS 79 -0.726 17.723 3.078
641 HZ2 LYS 79 HZ2 LYS 79 0.241 16.742 4.074
642 HZ3 LYS 79 HZ3 LYS 79 -1.367 17.075 4.509
643 H MET 80 H MET 80 0.017 10.656 1.378
644 HA MET 80 HA MET 80 -1.951 9.537 3.335
645 HB2 MET 80 HB2 MET 80 0.733 8.390 2.542
646 HB3 MET 80 HB3 MET 80 -0.549 7.579 3.443
647 HG2 MET 80 HG2 MET 80 -2.031 7.968 1.392
648 HG3 MET 80 HG3 MET 80 -0.554 8.396 0.533
649 HE1 MET 80 HE1 MET 80 1.106 6.163 2.761
650 HE2 MET 80 HE2 MET 80 1.669 6.806 1.218
651 HE3 MET 80 HE3 MET 80 1.542 5.066 1.445
652 H ALA 81 H ALA 81 -1.453 9.592 5.538
653 HA ALA 81 HA ALA 81 0.349 11.636 6.453
654 HB1 ALA 81 HB1 ALA 81 -0.140 9.872 8.601
655 HB2 ALA 81 HB2 ALA 81 -1.597 9.834 7.610
656 HB3 ALA 81 HB3 ALA 81 -1.000 11.369 8.240
657 H PHE 82 H PHE 82 0.700 8.208 5.864
658 HA PHE 82 HA PHE 82 2.958 7.622 7.457
659 HB2 PHE 82 HB2 PHE 82 1.630 5.991 6.038
660 HB3 PHE 82 HB3 PHE 82 2.513 6.601 4.640
661 HD1 PHE 82 HD2 PHE 82 2.889 4.935 7.937
662 HD2 PHE 82 HD1 PHE 82 4.783 5.928 4.207
663 HE1 PHE 82 HE2 PHE 82 4.777 3.429 8.494
664 HE2 PHE 82 HE1 PHE 82 6.671 4.421 4.770
665 HZ PHE 82 HZ PHE 82 6.664 3.170 6.912
666 H GLY 83 H GLY 83 2.777 9.119 4.230
667 HA2 GLY 83 HA2 GLY 83 4.376 10.400 3.080
668 HA3 GLY 83 HA3 GLY 83 5.176 10.636 4.635
669 H GLY 84 H GLY 84 7.183 9.786 4.756
670 HA2 GLY 84 HA2 GLY 84 7.790 7.362 3.104
671 HA3 GLY 84 HA3 GLY 84 8.935 8.695 3.254
672 H LEU 85 H LEU 85 9.513 6.005 4.038
673 HA LEU 85 HA LEU 85 9.529 6.199 7.016
674 HB2 LEU 85 HB2 LEU 85 8.533 4.147 6.057
675 HB3 LEU 85 HB3 LEU 85 10.047 3.811 5.223
676 HG LEU 85 HG LEU 85 11.218 3.670 7.379
677 HD11 LEU 85 HD11 LEU 85 10.182 5.018 8.934
678 HD12 LEU 85 HD12 LEU 85 9.448 3.477 9.377
679 HD13 LEU 85 HD13 LEU 85 8.564 4.615 8.360
680 HD21 LEU 85 HD21 LEU 85 9.936 1.653 8.288
681 HD22 LEU 85 HD22 LEU 85 10.367 1.580 6.580
682 HD23 LEU 85 HD23 LEU 85 8.721 1.993 7.056
683 H LYS 86 H LYS 86 11.437 6.610 8.018
684 HA LYS 86 HA LYS 86 13.799 7.285 6.586
685 HB2 LYS 86 HB2 LYS 86 13.453 6.466 9.486
686 HB3 LYS 86 HB3 LYS 86 14.913 7.197 8.819
687 HG2 LYS 86 HG2 LYS 86 13.550 9.159 8.089
688 HG3 LYS 86 HG3 LYS 86 12.150 8.442 8.890
689 HD2 LYS 86 HD2 LYS 86 13.433 8.435 11.035
690 HD3 LYS 86 HD3 LYS 86 14.749 9.275 10.212
691 HE2 LYS 86 HE2 LYS 86 11.921 10.281 10.624
692 HE3 LYS 86 HE3 LYS 86 13.397 10.941 11.329
693 HZ1 LYS 86 HZ1 LYS 86 12.245 11.443 8.781
694 HZ2 LYS 86 HZ2 LYS 86 13.840 10.881 8.617
695 HZ3 LYS 86 HZ3 LYS 86 13.512 12.253 9.563
696 H LYS 87 H LYS 87 12.766 4.239 8.079
697 HA LYS 87 HA LYS 87 15.334 2.970 7.326
698 HB2 LYS 87 HB2 LYS 87 12.887 1.876 8.750
699 HB3 LYS 87 HB3 LYS 87 14.374 0.970 8.463
700 HG2 LYS 87 HG2 LYS 87 15.638 2.714 9.722
701 HG3 LYS 87 HG3 LYS 87 14.110 3.518 10.085
702 HD2 LYS 87 HD2 LYS 87 13.312 1.411 11.170
703 HD3 LYS 87 HD3 LYS 87 14.907 0.709 10.905
704 HE2 LYS 87 HE2 LYS 87 14.993 1.552 13.119
705 HE3 LYS 87 HE3 LYS 87 15.826 2.769 12.150
706 HZ1 LYS 87 HZ1 LYS 87 13.847 4.091 12.091
707 HZ2 LYS 87 HZ2 LYS 87 14.192 3.715 13.711
708 HZ3 LYS 87 HZ3 LYS 87 12.954 2.891 12.890
709 H GLU 88 H GLU 88 15.385 2.579 5.145
710 HA GLU 88 HA GLU 88 13.076 1.992 3.545
711 HB2 GLU 88 HB2 GLU 88 16.019 1.467 3.038
712 HB3 GLU 88 HB3 GLU 88 14.751 1.304 1.822
713 HG2 GLU 88 HG2 GLU 88 14.140 3.687 2.171
714 HG3 GLU 88 HG3 GLU 88 15.466 3.840 3.325
715 H LYS 89 H LYS 89 15.430 -0.081 5.211
716 HA LYS 89 HA LYS 89 14.682 -2.547 4.024
717 HB2 LYS 89 HB2 LYS 89 15.663 -1.953 6.830
718 HB3 LYS 89 HB3 LYS 89 15.577 -3.563 6.121
719 HG2 LYS 89 HG2 LYS 89 17.072 -2.792 4.277
720 HG3 LYS 89 HG3 LYS 89 17.231 -1.240 5.100
721 HD2 LYS 89 HD2 LYS 89 18.100 -2.445 7.110
722 HD3 LYS 89 HD3 LYS 89 18.054 -3.948 6.187
723 HE2 LYS 89 HE2 LYS 89 20.005 -3.460 5.177
724 HE3 LYS 89 HE3 LYS 89 19.403 -1.880 4.676
725 HZ1 LYS 89 HZ1 LYS 89 21.222 -2.491 6.729
726 HZ2 LYS 89 HZ2 LYS 89 19.846 -1.773 7.420
727 HZ3 LYS 89 HZ3 LYS 89 20.704 -0.967 6.194
728 H ASP 90 H ASP 90 13.404 -0.916 6.926
729 HA ASP 90 HA ASP 90 11.481 -2.940 7.562
730 HB2 ASP 90 HB2 ASP 90 11.540 0.031 8.155
731 HB3 ASP 90 HB3 ASP 90 10.368 -1.087 8.848
732 H ARG 91 H ARG 91 11.341 -0.048 5.515
733 HA ARG 91 HA ARG 91 8.561 -0.056 4.964
734 HB2 ARG 91 HB2 ARG 91 10.200 1.734 4.302
735 HB3 ARG 91 HB3 ARG 91 10.774 0.665 3.024
736 HG2 ARG 91 HG2 ARG 91 8.534 0.605 2.031
737 HG3 ARG 91 HG3 ARG 91 7.912 1.619 3.335
738 HD2 ARG 91 HD2 ARG 91 8.350 3.073 1.467
739 HD3 ARG 91 HD3 ARG 91 9.619 3.364 2.656
740 HE ARG 91 HE ARG 91 10.413 1.336 0.750
741 HH11 ARG 91 HH21 ARG 91 9.983 4.715 1.285
742 HH12 ARG 91 HH22 ARG 91 11.189 5.186 0.135
743 HH21 ARG 91 HH11 ARG 91 11.991 1.932 -0.754
744 HH22 ARG 91 HH12 ARG 91 12.326 3.610 -1.019
745 H ASN 92 H ASN 92 11.221 -1.818 3.402
746 HA ASN 92 HA ASN 92 9.709 -2.973 1.293
747 HB2 ASN 92 HB2 ASN 92 12.118 -4.040 2.791
748 HB3 ASN 92 HB3 ASN 92 11.498 -4.717 1.287
749 HD21 ASN 92 HD21 ASN 92 14.136 -3.609 1.430
750 HD22 ASN 92 HD22 ASN 92 14.177 -2.202 0.480
751 H ASP 93 H ASP 93 10.196 -3.995 4.652
752 HA ASP 93 HA ASP 93 9.024 -6.566 4.471
753 HB2 ASP 93 HB2 ASP 93 9.038 -4.565 6.745
754 HB3 ASP 93 HB3 ASP 93 8.510 -6.237 6.909
755 H LEU 94 H LEU 94 7.535 -3.375 4.888
756 HA LEU 94 HA LEU 94 4.882 -4.276 5.393
757 HB2 LEU 94 HB2 LEU 94 5.880 -1.762 4.025
758 HB3 LEU 94 HB3 LEU 94 4.219 -2.020 4.548
759 HG LEU 94 HG LEU 94 6.643 -2.091 6.367
760 HD11 LEU 94 HD11 LEU 94 6.435 0.148 6.480
761 HD12 LEU 94 HD12 LEU 94 4.774 -0.048 7.041
762 HD13 LEU 94 HD13 LEU 94 5.111 0.098 5.317
763 HD21 LEU 94 HD21 LEU 94 3.765 -2.755 6.678
764 HD22 LEU 94 HD22 LEU 94 4.469 -1.784 7.969
765 HD23 LEU 94 HD23 LEU 94 5.159 -3.357 7.572
766 H ILE 95 H ILE 95 6.545 -3.544 2.318
767 HA ILE 95 HA ILE 95 4.348 -3.866 0.591
768 HB ILE 95 HB ILE 95 7.234 -4.653 0.110
769 HG12 ILE 95 HG12 ILE 95 5.773 -2.062 -0.499
770 HG13 ILE 95 HG13 ILE 95 6.865 -2.289 0.869
771 HG21 ILE 95 HG21 ILE 95 6.571 -4.141 -2.280
772 HG22 ILE 95 HG22 ILE 95 4.896 -4.110 -1.730
773 HG23 ILE 95 HG23 ILE 95 5.839 -5.594 -1.603
774 HD11 ILE 95 HD11 ILE 95 7.551 -1.593 -1.799
775 HD12 ILE 95 HD12 ILE 95 8.161 -3.223 -1.518
776 HD13 ILE 95 HD13 ILE 95 8.644 -1.905 -0.451
777 H THR 96 H THR 96 6.591 -6.324 1.856
778 HA THR 96 HA THR 96 5.535 -8.547 0.442
779 HB THR 96 HB THR 96 6.580 -8.596 3.288
780 HG1 THR 96 HG1 THR 96 8.580 -9.085 1.987
781 HG21 THR 96 HG21 THR 96 5.633 -10.607 1.564
782 HG22 THR 96 HG22 THR 96 6.537 -10.833 3.062
783 HG23 THR 96 HG23 THR 96 7.392 -10.740 1.522
784 H TYR 97 H TYR 97 4.536 -7.052 3.503
785 HA TYR 97 HA TYR 97 2.546 -8.972 4.202
786 HB2 TYR 97 HB2 TYR 97 3.395 -7.230 5.754
787 HB3 TYR 97 HB3 TYR 97 2.565 -6.000 4.800
788 HD1 TYR 97 HD2 TYR 97 2.098 -8.943 6.998
789 HD2 TYR 97 HD1 TYR 97 0.170 -5.727 4.902
790 HE1 TYR 97 HE2 TYR 97 -0.002 -9.394 8.238
791 HE2 TYR 97 HE1 TYR 97 -1.930 -6.179 6.141
792 HH TYR 97 HH TYR 97 -2.040 -8.277 8.867
793 H LEU 98 H LEU 98 2.370 -6.053 2.156
794 HA LEU 98 HA LEU 98 -0.431 -5.973 1.813
795 HB2 LEU 98 HB2 LEU 98 1.641 -5.399 -0.323
796 HB3 LEU 98 HB3 LEU 98 0.001 -4.764 -0.247
797 HG LEU 98 HG LEU 98 2.288 -4.167 1.632
798 HD11 LEU 98 HD11 LEU 98 1.684 -1.809 0.943
799 HD12 LEU 98 HD12 LEU 98 0.601 -2.513 -0.257
800 HD13 LEU 98 HD13 LEU 98 2.337 -2.812 -0.353
801 HD21 LEU 98 HD21 LEU 98 0.483 -2.621 2.681
802 HD22 LEU 98 HD22 LEU 98 0.452 -4.331 3.108
803 HD23 LEU 98 HD23 LEU 98 -0.679 -3.702 1.908
804 H LYS 99 H LYS 99 2.003 -7.924 0.111
805 HA LYS 99 HA LYS 99 0.245 -9.068 -1.816
806 HB2 LYS 99 HB2 LYS 99 2.744 -9.358 -1.790
807 HB3 LYS 99 HB3 LYS 99 2.561 -10.451 -0.418
808 HG2 LYS 99 HG2 LYS 99 1.177 -11.957 -1.758
809 HG3 LYS 99 HG3 LYS 99 1.253 -10.845 -3.125
810 HD2 LYS 99 HD2 LYS 99 2.894 -12.588 -3.492
811 HD3 LYS 99 HD3 LYS 99 3.757 -11.099 -3.103
812 HE2 LYS 99 HE2 LYS 99 4.307 -11.830 -0.944
813 HE3 LYS 99 HE3 LYS 99 3.013 -13.028 -0.916
814 HZ1 LYS 99 HZ1 LYS 99 5.205 -14.034 -1.227
815 HZ2 LYS 99 HZ2 LYS 99 5.412 -13.148 -2.662
816 HZ3 LYS 99 HZ3 LYS 99 4.188 -14.321 -2.554
817 H LYS 100 H LYS 100 1.035 -9.994 1.514
818 HA LYS 100 HA LYS 100 -0.633 -12.328 1.589
819 HB2 LYS 100 HB2 LYS 100 1.175 -11.821 3.245
820 HB3 LYS 100 HB3 LYS 100 0.165 -10.530 3.895
821 HG2 LYS 100 HG2 LYS 100 -1.579 -12.130 4.481
822 HG3 LYS 100 HG3 LYS 100 -0.669 -13.439 3.728
823 HD2 LYS 100 HD2 LYS 100 -0.279 -13.542 6.114
824 HD3 LYS 100 HD3 LYS 100 1.203 -12.972 5.345
825 HE2 LYS 100 HE2 LYS 100 0.875 -10.759 6.059
826 HE3 LYS 100 HE3 LYS 100 -0.850 -11.004 6.335
827 HZ1 LYS 100 HZ1 LYS 100 1.090 -12.577 7.880
828 HZ2 LYS 100 HZ2 LYS 100 -0.480 -12.083 8.304
829 HZ3 LYS 100 HZ3 LYS 100 0.801 -10.966 8.323
830 H ALA 101 H ALA 101 -1.239 -8.890 2.205
831 HA ALA 101 HA ALA 101 -3.792 -9.198 3.425
832 HB1 ALA 101 HB1 ALA 101 -3.835 -6.926 3.409
833 HB2 ALA 101 HB2 ALA 101 -3.507 -6.845 1.677
834 HB3 ALA 101 HB3 ALA 101 -2.179 -7.060 2.817
835 H THR 102 H THR 102 -2.806 -9.171 0.036
836 HA THR 102 HA THR 102 -5.458 -8.925 -1.049
837 HB THR 102 HB THR 102 -2.980 -8.872 -2.146
838 HG1 THR 102 HG1 THR 102 -5.352 -9.636 -3.495
839 HG21 THR 102 HG21 THR 102 -2.558 -10.804 -3.476
840 HG22 THR 102 HG22 THR 102 -4.130 -11.502 -3.091
841 HG23 THR 102 HG23 THR 102 -2.879 -11.405 -1.852
842 H GLU 103 H GLU 103 -3.578 -11.652 0.136
843 HA GLU 103 HA GLU 103 -5.932 -13.282 0.430
844 HB2 GLU 103 HB2 GLU 103 -5.615 -13.429 -2.054
845 HB3 GLU 103 HB3 GLU 103 -4.024 -14.134 -1.768
846 HG2 GLU 103 HG2 GLU 103 -5.105 -15.955 -0.451
847 HG3 GLU 103 HG3 GLU 103 -6.682 -15.278 -0.860
848 HHA HEC 104 HA HEC 104 -4.074 4.327 -2.234
849 HHB HEC 104 HB HEC 104 0.655 1.201 0.525
850 HHC HEC 104 HC HEC 104 -0.406 4.334 5.923
851 HHD HEC 104 HD HEC 104 -5.001 7.638 3.073
852 HMA1 HEC 104 1HMA HEC 104 -1.026 0.216 -2.699
853 HMA2 HEC 104 2HMA HEC 104 -0.434 -0.108 -1.071
854 HMA3 HEC 104 3HMA HEC 104 0.562 0.803 -2.203
855 HAA1 HEC 104 1HAA HEC 104 -1.617 1.979 -3.997
856 HAA2 HEC 104 2HAA HEC 104 -3.224 2.642 -3.748
857 HBA1 HEC 104 1HBA HEC 104 -0.894 3.973 -4.716
858 HBA2 HEC 104 2HBA HEC 104 -1.343 4.706 -3.176
859 HMB1 HEC 104 1HMB HEC 104 2.545 1.471 1.655
860 HMB2 HEC 104 2HMB HEC 104 3.163 1.891 3.245
861 HMB3 HEC 104 3HMB HEC 104 2.399 0.323 2.981
862 HAB HEC 104 HAB HEC 104 1.734 2.732 6.127
863 HBB1 HEC 104 1HBB HEC 104 2.845 0.805 5.160
864 HBB2 HEC 104 2HBB HEC 104 1.308 -0.024 4.930
865 HBB3 HEC 104 3HBB HEC 104 1.938 0.238 6.548
866 HMC1 HEC 104 1HMC HEC 104 -1.815 5.941 7.692
867 HMC2 HEC 104 2HMC HEC 104 -1.954 7.619 7.166
868 HMC3 HEC 104 3HMC HEC 104 -0.555 6.658 6.686
869 HAC HEC 104 HAC HEC 104 -5.373 7.536 5.267
870 HBC1 HEC 104 1HBC HEC 104 -4.897 9.708 5.645
871 HBC2 HEC 104 2HBC HEC 104 -3.839 9.296 6.994
872 HBC3 HEC 104 3HBC HEC 104 -3.203 9.317 5.349
873 HMD1 HEC 104 1HMD HEC 104 -6.550 8.401 -0.358
874 HMD2 HEC 104 2HMD HEC 104 -5.291 8.993 0.725
875 HMD3 HEC 104 3HMD HEC 104 -6.737 8.232 1.387
876 HAD1 HEC 104 1HAD HEC 104 -7.164 6.364 -1.369
877 HAD2 HEC 104 2HAD HEC 104 -6.294 4.970 -1.992
878 HBD1 HEC 104 1HBD HEC 104 -5.037 7.553 -2.634
879 HBD2 HEC 104 2HBD HEC 104 -5.349 6.161 -3.670
Start of MODEL 10
1 H1 THR -5 H1 THR -5 17.872 0.853 -3.970
2 H2 THR -5 H2 THR -5 17.381 -0.057 -5.317
3 H3 THR -5 H3 THR -5 17.695 -0.828 -3.836
4 HA THR -5 HA THR -5 15.830 0.352 -2.816
5 HB THR -5 HB THR -5 14.409 1.749 -4.103
6 HG1 THR -5 HG1 THR -5 14.875 0.171 -6.001
7 HG21 THR -5 HG21 THR -5 15.827 3.522 -4.717
8 HG22 THR -5 HG22 THR -5 17.085 2.433 -5.302
9 HG23 THR -5 HG23 THR -5 16.802 2.603 -3.570
10 H GLU -4 H GLU -4 16.735 -2.027 -4.771
11 HA GLU -4 HA GLU -4 14.381 -3.082 -5.948
12 HB2 GLU -4 HB2 GLU -4 16.734 -4.555 -4.721
13 HB3 GLU -4 HB3 GLU -4 15.528 -5.285 -5.782
14 HG2 GLU -4 HG2 GLU -4 17.309 -2.947 -6.531
15 HG3 GLU -4 HG3 GLU -4 17.575 -4.619 -7.025
16 H PHE -3 H PHE -3 12.764 -4.468 -5.143
17 HA PHE -3 HA PHE -3 12.451 -4.393 -2.192
18 HB2 PHE -3 HB2 PHE -3 10.480 -3.634 -3.245
19 HB3 PHE -3 HB3 PHE -3 10.564 -4.877 -4.493
20 HD1 PHE -3 HD1 PHE -3 10.816 -5.054 -0.745
21 HD2 PHE -3 HD2 PHE -3 8.715 -6.283 -4.284
22 HE1 PHE -3 HE1 PHE -3 9.387 -6.545 0.620
23 HE2 PHE -3 HE2 PHE -3 7.282 -7.771 -2.915
24 HZ PHE -3 HZ PHE -3 7.617 -7.902 -0.462
25 H LYS -2 H LYS -2 12.634 -6.210 -0.968
26 HA LYS -2 HA LYS -2 12.695 -8.846 -2.365
27 HB2 LYS -2 HB2 LYS -2 14.994 -8.063 -1.721
28 HB3 LYS -2 HB3 LYS -2 14.464 -8.034 -0.039
29 HG2 LYS -2 HG2 LYS -2 13.897 -10.444 -0.191
30 HG3 LYS -2 HG3 LYS -2 14.488 -10.465 -1.853
31 HD2 LYS -2 HD2 LYS -2 16.717 -9.680 -1.008
32 HD3 LYS -2 HD3 LYS -2 16.106 -9.855 0.637
33 HE2 LYS -2 HE2 LYS -2 15.925 -12.194 0.456
34 HE3 LYS -2 HE3 LYS -2 15.949 -12.151 -1.307
35 HZ1 LYS -2 HZ1 LYS -2 18.264 -11.307 -1.136
36 HZ2 LYS -2 HZ2 LYS -2 18.062 -12.894 -0.562
37 HZ3 LYS -2 HZ3 LYS -2 18.210 -11.603 0.534
38 H ALA -1 H ALA -1 11.330 -10.317 -1.449
39 HA ALA -1 HA ALA -1 9.560 -9.556 0.664
40 HB1 ALA -1 HB1 ALA -1 9.127 -12.146 0.665
41 HB2 ALA -1 HB2 ALA -1 10.161 -12.128 -0.764
42 HB3 ALA -1 HB3 ALA -1 8.668 -11.188 -0.744
43 H GLY 1 H GLY 1 10.333 -9.196 2.697
44 HA2 GLY 1 HA2 GLY 1 12.488 -10.919 3.773
45 HA3 GLY 1 HA3 GLY 1 11.855 -9.459 4.538
46 H SER 2 H SER 2 10.261 -9.684 6.079
47 HA SER 2 HA SER 2 9.026 -12.400 6.368
48 HB2 SER 2 HB2 SER 2 10.751 -11.927 8.121
49 HB3 SER 2 HB3 SER 2 9.815 -10.517 8.612
50 HG SER 2 HG SER 2 8.349 -12.829 8.391
51 H ALA 3 H ALA 3 6.834 -12.334 6.301
52 HA ALA 3 HA ALA 3 5.424 -9.828 6.037
53 HB1 ALA 3 HB1 ALA 3 4.175 -11.397 4.956
54 HB2 ALA 3 HB2 ALA 3 3.453 -11.650 6.545
55 HB3 ALA 3 HB3 ALA 3 4.751 -12.705 5.988
56 H LYS 4 H LYS 4 5.961 -12.079 8.700
57 HA LYS 4 HA LYS 4 4.010 -11.113 10.517
58 HB2 LYS 4 HB2 LYS 4 6.811 -12.066 11.174
59 HB3 LYS 4 HB3 LYS 4 5.415 -12.082 12.247
60 HG2 LYS 4 HG2 LYS 4 4.255 -13.624 10.697
61 HG3 LYS 4 HG3 LYS 4 5.684 -13.624 9.663
62 HD2 LYS 4 HD2 LYS 4 5.741 -15.601 11.093
63 HD3 LYS 4 HD3 LYS 4 7.025 -14.496 11.582
64 HE2 LYS 4 HE2 LYS 4 6.045 -14.035 13.593
65 HE3 LYS 4 HE3 LYS 4 4.414 -14.092 12.926
66 HZ1 LYS 4 HZ1 LYS 4 4.251 -16.311 13.256
67 HZ2 LYS 4 HZ2 LYS 4 5.354 -15.972 14.503
68 HZ3 LYS 4 HZ3 LYS 4 5.906 -16.597 13.022
69 H LYS 5 H LYS 5 7.377 -10.120 10.028
70 HA LYS 5 HA LYS 5 7.438 -8.081 12.008
71 HB2 LYS 5 HB2 LYS 5 8.937 -8.293 9.382
72 HB3 LYS 5 HB3 LYS 5 9.331 -7.159 10.671
73 HG2 LYS 5 HG2 LYS 5 9.616 -9.089 12.231
74 HG3 LYS 5 HG3 LYS 5 9.349 -10.182 10.871
75 HD2 LYS 5 HD2 LYS 5 11.283 -9.123 9.695
76 HD3 LYS 5 HD3 LYS 5 11.585 -8.151 11.136
77 HE2 LYS 5 HE2 LYS 5 12.761 -9.849 12.023
78 HE3 LYS 5 HE3 LYS 5 11.316 -10.859 11.978
79 HZ1 LYS 5 HZ1 LYS 5 12.307 -10.683 9.381
80 HZ2 LYS 5 HZ2 LYS 5 12.259 -12.048 10.390
81 HZ3 LYS 5 HZ3 LYS 5 13.624 -11.037 10.388
82 H GLY 6 H GLY 6 6.527 -7.940 8.564
83 HA2 GLY 6 HA2 GLY 6 6.088 -5.107 8.499
84 HA3 GLY 6 HA3 GLY 6 5.394 -6.266 7.368
85 H ALA 7 H ALA 7 3.993 -7.842 9.343
86 HA ALA 7 HA ALA 7 1.541 -6.387 9.481
87 HB1 ALA 7 HB1 ALA 7 2.570 -8.943 10.634
88 HB2 ALA 7 HB2 ALA 7 1.157 -8.660 9.620
89 HB3 ALA 7 HB3 ALA 7 1.105 -8.259 11.336
90 H THR 8 H THR 8 4.104 -6.918 11.877
91 HA THR 8 HA THR 8 2.750 -5.700 14.085
92 HB THR 8 HB THR 8 4.927 -5.608 15.114
93 HG1 THR 8 HG1 THR 8 5.682 -5.189 12.562
94 HG21 THR 8 HG21 THR 8 4.979 -7.852 15.233
95 HG22 THR 8 HG22 THR 8 5.666 -7.943 13.611
96 HG23 THR 8 HG23 THR 8 3.917 -7.915 13.827
97 H LEU 9 H LEU 9 5.050 -4.414 11.708
98 HA LEU 9 HA LEU 9 5.064 -1.727 12.691
99 HB2 LEU 9 HB2 LEU 9 6.600 -2.891 10.924
100 HB3 LEU 9 HB3 LEU 9 5.356 -2.437 9.770
101 HG LEU 9 HG LEU 9 6.381 -0.304 11.611
102 HD11 LEU 9 HD11 LEU 9 8.277 0.140 10.151
103 HD12 LEU 9 HD12 LEU 9 7.839 -1.221 9.119
104 HD13 LEU 9 HD13 LEU 9 8.405 -1.509 10.766
105 HD21 LEU 9 HD21 LEU 9 5.684 -0.329 8.661
106 HD22 LEU 9 HD22 LEU 9 5.942 1.094 9.665
107 HD23 LEU 9 HD23 LEU 9 4.539 0.065 9.938
108 H PHE 10 H PHE 10 3.125 -3.348 10.207
109 HA PHE 10 HA PHE 10 1.601 -1.058 9.402
110 HB2 PHE 10 HB2 PHE 10 1.766 -3.262 8.175
111 HB3 PHE 10 HB3 PHE 10 0.713 -3.962 9.402
112 HD1 PHE 10 HD1 PHE 10 -1.616 -3.029 9.715
113 HD2 PHE 10 HD2 PHE 10 0.895 -1.935 6.406
114 HE1 PHE 10 HE1 PHE 10 -3.602 -2.201 8.481
115 HE2 PHE 10 HE2 PHE 10 -1.089 -1.100 5.174
116 HZ PHE 10 HZ PHE 10 -3.338 -1.237 6.210
117 H LYS 11 H LYS 11 0.938 -3.624 11.798
118 HA LYS 11 HA LYS 11 -1.580 -2.425 12.610
119 HB2 LYS 11 HB2 LYS 11 0.136 -4.586 13.862
120 HB3 LYS 11 HB3 LYS 11 -1.462 -4.128 14.442
121 HG2 LYS 11 HG2 LYS 11 -2.391 -4.648 12.183
122 HG3 LYS 11 HG3 LYS 11 -0.794 -5.220 11.696
123 HD2 LYS 11 HD2 LYS 11 -0.855 -6.869 13.569
124 HD3 LYS 11 HD3 LYS 11 -2.500 -6.347 13.935
125 HE2 LYS 11 HE2 LYS 11 -1.530 -7.611 11.356
126 HE3 LYS 11 HE3 LYS 11 -2.622 -8.329 12.539
127 HZ1 LYS 11 HZ1 LYS 11 -3.877 -7.435 10.713
128 HZ2 LYS 11 HZ2 LYS 11 -3.146 -5.913 10.894
129 HZ3 LYS 11 HZ3 LYS 11 -4.185 -6.508 12.100
130 H THR 12 H THR 12 1.508 -1.408 13.051
131 HA THR 12 HA THR 12 0.824 -0.153 15.681
132 HB THR 12 HB THR 12 3.202 -0.212 16.265
133 HG1 THR 12 HG1 THR 12 4.141 -0.116 14.265
134 HG21 THR 12 HG21 THR 12 1.753 -2.723 15.549
135 HG22 THR 12 HG22 THR 12 2.258 -2.132 17.131
136 HG23 THR 12 HG23 THR 12 3.440 -2.857 16.041
137 H ARG 13 H ARG 13 1.170 0.440 12.467
138 HA ARG 13 HA ARG 13 1.670 3.294 12.961
139 HB2 ARG 13 HB2 ARG 13 3.543 1.598 11.296
140 HB3 ARG 13 HB3 ARG 13 3.495 3.355 11.210
141 HG2 ARG 13 HG2 ARG 13 3.870 3.354 13.738
142 HG3 ARG 13 HG3 ARG 13 4.225 1.633 13.587
143 HD2 ARG 13 HD2 ARG 13 6.317 2.867 13.483
144 HD3 ARG 13 HD3 ARG 13 5.978 2.182 11.894
145 HE ARG 13 HE ARG 13 5.850 4.381 11.071
146 HH11 ARG 13 HH21 ARG 13 5.291 4.259 14.471
147 HH12 ARG 13 HH22 ARG 13 5.188 5.979 14.649
148 HH21 ARG 13 HH11 ARG 13 5.722 6.627 11.285
149 HH22 ARG 13 HH12 ARG 13 5.433 7.320 12.847
150 H CYS 14 H CYS 14 -0.531 1.595 11.809
151 HA CYS 14 HA CYS 14 -1.097 3.278 9.512
152 HB2 CYS 14 HB2 CYS 14 0.624 1.442 8.817
153 HB3 CYS 14 HB3 CYS 14 -0.784 0.383 8.794
154 H LEU 15 H LEU 15 -2.393 2.480 11.984
155 HA LEU 15 HA LEU 15 -4.706 0.881 10.994
156 HB2 LEU 15 HB2 LEU 15 -4.188 1.786 13.838
157 HB3 LEU 15 HB3 LEU 15 -5.314 0.549 13.292
158 HG LEU 15 HG LEU 15 -3.152 -0.572 12.287
159 HD11 LEU 15 HD11 LEU 15 -1.142 0.206 12.977
160 HD12 LEU 15 HD12 LEU 15 -1.699 0.384 14.640
161 HD13 LEU 15 HD13 LEU 15 -1.990 1.666 13.473
162 HD21 LEU 15 HD21 LEU 15 -4.628 -1.471 14.094
163 HD22 LEU 15 HD22 LEU 15 -3.683 -0.563 15.274
164 HD23 LEU 15 HD23 LEU 15 -2.928 -1.860 14.352
165 H GLN 16 H GLN 16 -3.699 4.049 11.424
166 HA GLN 16 HA GLN 16 -6.284 5.161 12.244
167 HB2 GLN 16 HB2 GLN 16 -5.170 7.336 11.901
168 HB3 GLN 16 HB3 GLN 16 -4.166 6.265 12.877
169 HG2 GLN 16 HG2 GLN 16 -2.867 5.644 10.876
170 HG3 GLN 16 HG3 GLN 16 -3.870 6.706 9.887
171 HE21 GLN 16 HE21 GLN 16 -3.445 8.980 9.967
172 HE22 GLN 16 HE22 GLN 16 -2.173 9.650 10.870
173 H CYS 17 H CYS 17 -5.398 3.744 9.449
174 HA CYS 17 HA CYS 17 -7.291 5.426 7.911
175 HB2 CYS 17 HB2 CYS 17 -4.446 4.825 7.071
176 HB3 CYS 17 HB3 CYS 17 -5.681 5.430 5.968
177 H HIS 18 H HIS 18 -5.069 3.160 6.441
178 HA HIS 18 HA HIS 18 -7.058 1.655 5.148
179 HB2 HIS 18 HB2 HIS 18 -4.294 0.809 6.046
180 HB3 HIS 18 HB3 HIS 18 -5.302 -0.130 4.942
181 HD1 HIS 18 HD1 HIS 18 -5.995 1.177 2.652
182 HD2 HIS 18 HD2 HIS 18 -2.876 2.830 4.854
183 HE1 HIS 18 HE1 HIS 18 -4.784 2.773 1.090
184 H THR 19 H THR 19 -5.536 1.044 8.309
185 HA THR 19 HA THR 19 -6.084 -0.588 9.936
186 HB THR 19 HB THR 19 -8.866 0.274 9.084
187 HG1 THR 19 HG1 THR 19 -6.809 1.536 10.383
188 HG21 THR 19 HG21 THR 19 -8.437 -0.220 11.905
189 HG22 THR 19 HG22 THR 19 -8.010 -1.643 10.955
190 HG23 THR 19 HG23 THR 19 -9.623 -0.943 10.818
191 H VAL 20 H VAL 20 -5.371 -2.014 7.818
192 HA VAL 20 HA VAL 20 -7.227 -3.545 6.399
193 HB VAL 20 HB VAL 20 -4.535 -4.305 7.528
194 HG11 VAL 20 HG11 VAL 20 -5.186 -6.441 7.097
195 HG12 VAL 20 HG12 VAL 20 -4.964 -5.982 5.408
196 HG13 VAL 20 HG13 VAL 20 -6.570 -5.920 6.135
197 HG21 VAL 20 HG21 VAL 20 -3.665 -3.515 5.558
198 HG22 VAL 20 HG22 VAL 20 -5.122 -2.522 5.586
199 HG23 VAL 20 HG23 VAL 20 -5.082 -4.001 4.625
200 H GLU 21 H GLU 21 -5.851 -4.253 9.619
201 HA GLU 21 HA GLU 21 -6.495 -5.926 11.174
202 HB2 GLU 21 HB2 GLU 21 -8.120 -3.913 11.348
203 HB3 GLU 21 HB3 GLU 21 -9.278 -4.952 10.520
204 HG2 GLU 21 HG2 GLU 21 -8.950 -6.676 12.298
205 HG3 GLU 21 HG3 GLU 21 -7.881 -5.558 13.142
206 H LYS 22 H LYS 22 -6.525 -6.682 8.247
207 HA LYS 22 HA LYS 22 -7.083 -8.550 6.964
208 HB2 LYS 22 HB2 LYS 22 -8.066 -9.660 9.610
209 HB3 LYS 22 HB3 LYS 22 -7.729 -10.590 8.151
210 HG2 LYS 22 HG2 LYS 22 -5.373 -9.783 8.219
211 HG3 LYS 22 HG3 LYS 22 -5.725 -8.971 9.745
212 HD2 LYS 22 HD2 LYS 22 -6.445 -11.194 10.677
213 HD3 LYS 22 HD3 LYS 22 -5.859 -11.943 9.191
214 HE2 LYS 22 HE2 LYS 22 -3.685 -10.488 9.803
215 HE3 LYS 22 HE3 LYS 22 -4.322 -10.721 11.430
216 HZ1 LYS 22 HZ1 LYS 22 -3.309 -12.699 9.527
217 HZ2 LYS 22 HZ2 LYS 22 -4.567 -13.173 10.566
218 HZ3 LYS 22 HZ3 LYS 22 -3.098 -12.608 11.207
219 H GLY 23 H GLY 23 -9.541 -7.112 8.988
220 HA2 GLY 23 HA2 GLY 23 -11.468 -7.229 6.830
221 HA3 GLY 23 HA3 GLY 23 -11.886 -8.343 8.135
222 H GLY 24 H GLY 24 -11.286 -4.923 7.397
223 HA2 GLY 24 HA2 GLY 24 -13.096 -4.236 9.661
224 HA3 GLY 24 HA3 GLY 24 -11.539 -3.419 9.535
225 HA PRO 25 HA PRO 25 -15.022 -1.325 6.988
226 HB2 PRO 25 HB2 PRO 25 -15.002 1.008 8.494
227 HB3 PRO 25 HB3 PRO 25 -16.163 -0.317 8.694
228 HG2 PRO 25 HG2 PRO 25 -13.736 0.327 10.275
229 HG3 PRO 25 HG3 PRO 25 -15.292 -0.333 10.805
230 HD2 PRO 25 HD2 PRO 25 -13.072 -1.885 10.531
231 HD3 PRO 25 HD3 PRO 25 -14.713 -2.510 10.251
232 H HIS 26 H HIS 26 -14.726 0.898 5.888
233 HA HIS 26 HA HIS 26 -11.820 1.268 5.359
234 HB2 HIS 26 HB2 HIS 26 -14.197 2.350 3.815
235 HB3 HIS 26 HB3 HIS 26 -12.509 2.396 3.315
236 HD1 HIS 26 HD1 HIS 26 -11.399 0.123 2.615
237 HD2 HIS 26 HD2 HIS 26 -15.483 -0.138 3.417
238 HE1 HIS 26 HE1 HIS 26 -12.171 -2.108 1.693
239 HE2 HIS 26 HE2 HIS 26 -14.655 -2.278 2.179
240 H LYS 27 H LYS 27 -10.802 3.183 5.810
241 HA LYS 27 HA LYS 27 -12.448 5.323 7.097
242 HB2 LYS 27 HB2 LYS 27 -9.478 4.728 7.333
243 HB3 LYS 27 HB3 LYS 27 -10.323 6.038 8.158
244 HG2 LYS 27 HG2 LYS 27 -11.796 4.345 9.251
245 HG3 LYS 27 HG3 LYS 27 -10.833 3.070 8.505
246 HD2 LYS 27 HD2 LYS 27 -8.805 4.005 9.633
247 HD3 LYS 27 HD3 LYS 27 -9.846 5.163 10.463
248 HE2 LYS 27 HE2 LYS 27 -10.239 2.164 10.616
249 HE3 LYS 27 HE3 LYS 27 -9.315 3.084 11.804
250 HZ1 LYS 27 HZ1 LYS 27 -11.625 4.488 11.563
251 HZ2 LYS 27 HZ2 LYS 27 -11.261 3.391 12.809
252 HZ3 LYS 27 HZ3 LYS 27 -12.155 2.880 11.457
253 H VAL 28 H VAL 28 -9.869 7.016 6.711
254 HA VAL 28 HA VAL 28 -10.712 8.418 4.384
255 HB VAL 28 HB VAL 28 -7.990 8.304 5.723
256 HG11 VAL 28 HG11 VAL 28 -7.318 9.285 3.776
257 HG12 VAL 28 HG12 VAL 28 -8.104 10.713 4.450
258 HG13 VAL 28 HG13 VAL 28 -8.967 9.693 3.298
259 HG21 VAL 28 HG21 VAL 28 -10.156 9.213 6.893
260 HG22 VAL 28 HG22 VAL 28 -9.947 10.588 5.806
261 HG23 VAL 28 HG23 VAL 28 -8.676 10.172 6.957
262 H GLY 29 H GLY 29 -8.393 5.797 4.848
263 HA2 GLY 29 HA2 GLY 29 -8.025 5.664 1.884
264 HA3 GLY 29 HA3 GLY 29 -6.870 5.032 3.059
265 HA PRO 30 HA PRO 30 -10.203 1.860 1.612
266 HB2 PRO 30 HB2 PRO 30 -8.465 0.321 0.093
267 HB3 PRO 30 HB3 PRO 30 -9.573 1.542 -0.559
268 HG2 PRO 30 HG2 PRO 30 -6.662 1.728 -0.008
269 HG3 PRO 30 HG3 PRO 30 -7.617 2.447 -1.317
270 HD2 PRO 30 HD2 PRO 30 -6.756 3.898 0.821
271 HD3 PRO 30 HD3 PRO 30 -8.276 4.257 -0.027
272 H ASN 31 H ASN 31 -10.285 -0.324 2.408
273 HA ASN 31 HA ASN 31 -8.873 -0.875 4.782
274 HB2 ASN 31 HB2 ASN 31 -10.986 -2.023 3.860
275 HB3 ASN 31 HB3 ASN 31 -9.884 -3.048 2.941
276 HD21 ASN 31 HD21 ASN 31 -10.295 -4.992 4.162
277 HD22 ASN 31 HD22 ASN 31 -9.840 -5.155 5.789
278 H LEU 32 H LEU 32 -7.883 -1.183 1.504
279 HA LEU 32 HA LEU 32 -5.860 -1.843 0.551
280 HB2 LEU 32 HB2 LEU 32 -4.951 -0.569 2.582
281 HB3 LEU 32 HB3 LEU 32 -4.776 -2.135 3.360
282 HG LEU 32 HG LEU 32 -3.351 -2.901 1.467
283 HD11 LEU 32 HD11 LEU 32 -4.148 -0.209 0.474
284 HD12 LEU 32 HD12 LEU 32 -3.821 -1.688 -0.432
285 HD13 LEU 32 HD13 LEU 32 -2.484 -0.704 0.164
286 HD21 LEU 32 HD21 LEU 32 -2.188 -2.013 3.381
287 HD22 LEU 32 HD22 LEU 32 -2.552 -0.353 2.903
288 HD23 LEU 32 HD23 LEU 32 -1.423 -1.317 1.950
289 H HIS 33 H HIS 33 -7.709 -3.779 0.679
290 HA HIS 33 HA HIS 33 -6.094 -6.196 1.350
291 HB2 HIS 33 HB2 HIS 33 -8.439 -5.398 2.670
292 HB3 HIS 33 HB3 HIS 33 -8.953 -6.666 1.557
293 HD1 HIS 33 HD1 HIS 33 -6.172 -6.089 4.116
294 HD2 HIS 33 HD2 HIS 33 -8.437 -9.199 2.507
295 HE1 HIS 33 HE1 HIS 33 -5.490 -8.190 5.364
296 HE2 HIS 33 HE2 HIS 33 -6.878 -10.087 4.405
297 H GLY 34 H GLY 34 -7.259 -4.445 -1.087
298 HA2 GLY 34 HA2 GLY 34 -7.581 -6.832 -2.808
299 HA3 GLY 34 HA3 GLY 34 -8.908 -5.672 -2.799
300 H ILE 35 H ILE 35 -5.923 -4.103 -2.330
301 HA ILE 35 HA ILE 35 -6.111 -2.654 -4.773
302 HB ILE 35 HB ILE 35 -3.947 -3.004 -2.715
303 HG12 ILE 35 HG12 ILE 35 -5.594 -0.703 -3.814
304 HG13 ILE 35 HG13 ILE 35 -5.659 -1.395 -2.197
305 HG21 ILE 35 HG21 ILE 35 -2.514 -1.409 -4.051
306 HG22 ILE 35 HG22 ILE 35 -3.608 -1.651 -5.409
307 HG23 ILE 35 HG23 ILE 35 -2.664 -3.000 -4.782
308 HD11 ILE 35 HD11 ILE 35 -4.316 0.389 -1.700
309 HD12 ILE 35 HD12 ILE 35 -3.743 0.551 -3.359
310 HD13 ILE 35 HD13 ILE 35 -3.044 -0.674 -2.301
311 H PHE 36 H PHE 36 -4.624 -5.722 -4.032
312 HA PHE 36 HA PHE 36 -3.276 -5.763 -6.680
313 HB2 PHE 36 HB2 PHE 36 -3.251 -7.787 -4.419
314 HB3 PHE 36 HB3 PHE 36 -2.253 -7.852 -5.871
315 HD1 PHE 36 HD1 PHE 36 -2.950 -5.923 -2.778
316 HD2 PHE 36 HD2 PHE 36 -0.300 -6.489 -6.107
317 HE1 PHE 36 HE1 PHE 36 -1.278 -4.449 -1.695
318 HE2 PHE 36 HE2 PHE 36 1.376 -5.013 -5.025
319 HZ PHE 36 HZ PHE 36 0.887 -3.993 -2.818
320 H GLY 37 H GLY 37 -4.171 -6.841 -8.392
321 HA2 GLY 37 HA2 GLY 37 -5.429 -9.217 -8.623
322 HA3 GLY 37 HA3 GLY 37 -6.738 -8.233 -7.969
323 H ARG 38 H ARG 38 -7.434 -6.362 -9.238
324 HA ARG 38 HA ARG 38 -6.909 -6.737 -12.157
325 HB2 ARG 38 HB2 ARG 38 -9.312 -5.524 -10.760
326 HB3 ARG 38 HB3 ARG 38 -9.130 -5.712 -12.503
327 HG2 ARG 38 HG2 ARG 38 -8.912 -8.079 -10.647
328 HG3 ARG 38 HG3 ARG 38 -10.478 -7.521 -11.235
329 HD2 ARG 38 HD2 ARG 38 -9.574 -7.694 -13.581
330 HD3 ARG 38 HD3 ARG 38 -8.129 -8.451 -12.914
331 HE ARG 38 HE ARG 38 -10.516 -9.807 -12.013
332 HH11 ARG 38 HH21 ARG 38 -8.359 -9.328 -14.659
333 HH12 ARG 38 HH22 ARG 38 -8.652 -10.887 -15.355
334 HH21 ARG 38 HH11 ARG 38 -10.914 -11.846 -12.907
335 HH22 ARG 38 HH12 ARG 38 -10.100 -12.312 -14.364
336 H HIS 39 H HIS 39 -7.837 -4.394 -13.167
337 HA HIS 39 HA HIS 39 -5.748 -2.593 -13.053
338 HB2 HIS 39 HB2 HIS 39 -8.669 -1.785 -13.243
339 HB3 HIS 39 HB3 HIS 39 -7.285 -0.883 -13.863
340 HD1 HIS 39 HD1 HIS 39 -9.328 -1.631 -15.931
341 HD2 HIS 39 HD2 HIS 39 -6.223 -4.209 -14.876
342 HE1 HIS 39 HE1 HIS 39 -9.031 -3.230 -17.874
343 HE2 HIS 39 HE2 HIS 39 -7.146 -4.805 -17.241
344 H SER 40 H SER 40 -5.682 -0.391 -11.958
345 HA SER 40 HA SER 40 -5.719 -0.718 -9.155
346 HB2 SER 40 HB2 SER 40 -5.073 1.532 -9.013
347 HB3 SER 40 HB3 SER 40 -4.492 1.046 -10.596
348 HG SER 40 HG SER 40 -7.021 1.827 -10.830
349 H GLY 41 H GLY 41 -7.038 0.447 -7.564
350 HA2 GLY 41 HA2 GLY 41 -9.086 1.127 -6.655
351 HA3 GLY 41 HA3 GLY 41 -9.597 1.565 -8.284
352 H GLN 42 H GLN 42 -9.595 -0.963 -5.863
353 HA GLN 42 HA GLN 42 -11.596 -2.439 -7.525
354 HB2 GLN 42 HB2 GLN 42 -9.319 -3.706 -5.973
355 HB3 GLN 42 HB3 GLN 42 -10.597 -4.583 -6.812
356 HG2 GLN 42 HG2 GLN 42 -9.322 -4.522 -8.666
357 HG3 GLN 42 HG3 GLN 42 -9.565 -2.776 -8.707
358 HE21 GLN 42 HE21 GLN 42 -7.704 -1.528 -8.492
359 HE22 GLN 42 HE22 GLN 42 -6.226 -2.088 -7.875
360 H ALA 43 H ALA 43 -11.101 -0.838 -4.691
361 HA ALA 43 HA ALA 43 -12.260 -2.697 -2.798
362 HB1 ALA 43 HB1 ALA 43 -10.882 -0.613 -2.252
363 HB2 ALA 43 HB2 ALA 43 -12.332 -0.857 -1.279
364 HB3 ALA 43 HB3 ALA 43 -12.339 0.318 -2.593
365 H GLU 44 H GLU 44 -14.353 -3.314 -2.702
366 HA GLU 44 HA GLU 44 -16.373 -2.197 -4.422
367 HB2 GLU 44 HB2 GLU 44 -16.607 -4.010 -2.001
368 HB3 GLU 44 HB3 GLU 44 -17.932 -3.644 -3.106
369 HG2 GLU 44 HG2 GLU 44 -16.585 -4.551 -4.988
370 HG3 GLU 44 HG3 GLU 44 -15.311 -4.978 -3.846
371 H GLY 45 H GLY 45 -15.547 -1.715 -1.012
372 HA2 GLY 45 HA2 GLY 45 -17.852 0.091 -0.632
373 HA3 GLY 45 HA3 GLY 45 -16.672 -0.354 0.604
374 H TYR 46 H TYR 46 -14.387 0.502 0.147
375 HA TYR 46 HA TYR 46 -14.429 3.337 -0.010
376 HB2 TYR 46 HB2 TYR 46 -12.579 2.177 1.060
377 HB3 TYR 46 HB3 TYR 46 -12.151 1.386 -0.456
378 HD1 TYR 46 HD1 TYR 46 -12.203 4.613 1.364
379 HD2 TYR 46 HD2 TYR 46 -11.023 2.558 -2.213
380 HE1 TYR 46 HE1 TYR 46 -10.789 6.543 0.722
381 HE2 TYR 46 HE2 TYR 46 -9.609 4.479 -2.863
382 HH TYR 46 HH TYR 46 -9.358 7.363 -0.764
383 H SER 47 H SER 47 -13.880 4.762 -1.717
384 HA SER 47 HA SER 47 -13.866 3.518 -4.442
385 HB2 SER 47 HB2 SER 47 -15.975 4.747 -3.885
386 HB3 SER 47 HB3 SER 47 -15.020 6.210 -3.658
387 HG SER 47 HG SER 47 -14.844 6.398 -5.750
388 H TYR 48 H TYR 48 -12.474 4.459 -5.982
389 HA TYR 48 HA TYR 48 -10.374 6.243 -4.823
390 HB2 TYR 48 HB2 TYR 48 -10.257 4.481 -7.293
391 HB3 TYR 48 HB3 TYR 48 -8.923 5.417 -6.622
392 HD1 TYR 48 HD2 TYR 48 -11.383 2.746 -5.715
393 HD2 TYR 48 HD1 TYR 48 -7.510 4.467 -5.010
394 HE1 TYR 48 HE2 TYR 48 -10.817 0.862 -4.204
395 HE2 TYR 48 HE1 TYR 48 -6.947 2.584 -3.498
396 HH TYR 48 HH TYR 48 -8.281 0.920 -2.062
397 H THR 49 H THR 49 -9.557 7.956 -6.269
398 HA THR 49 HA THR 49 -11.705 9.366 -7.592
399 HB THR 49 HB THR 49 -10.253 11.113 -7.560
400 HG1 THR 49 HG1 THR 49 -8.300 9.360 -8.635
401 HG21 THR 49 HG21 THR 49 -9.625 9.721 -5.483
402 HG22 THR 49 HG22 THR 49 -8.474 10.951 -6.004
403 HG23 THR 49 HG23 THR 49 -8.185 9.254 -6.389
404 H ASP 50 H ASP 50 -11.718 9.898 -9.930
405 HA ASP 50 HA ASP 50 -11.548 7.632 -11.601
406 HB2 ASP 50 HB2 ASP 50 -11.393 10.580 -12.299
407 HB3 ASP 50 HB3 ASP 50 -11.570 9.296 -13.497
408 H ALA 51 H ALA 51 -9.134 10.073 -10.811
409 HA ALA 51 HA ALA 51 -7.172 9.697 -12.715
410 HB1 ALA 51 HB1 ALA 51 -6.909 11.226 -10.817
411 HB2 ALA 51 HB2 ALA 51 -5.512 10.157 -10.934
412 HB3 ALA 51 HB3 ALA 51 -6.755 9.855 -9.720
413 H ASN 52 H ASN 52 -7.251 7.753 -9.693
414 HA ASN 52 HA ASN 52 -5.284 5.886 -10.470
415 HB2 ASN 52 HB2 ASN 52 -6.328 6.072 -8.194
416 HB3 ASN 52 HB3 ASN 52 -7.751 5.240 -8.832
417 HD21 ASN 52 HD21 ASN 52 -7.389 3.325 -7.497
418 HD22 ASN 52 HD22 ASN 52 -6.112 2.260 -7.808
419 H ILE 53 H ILE 53 -8.775 5.862 -11.142
420 HA ILE 53 HA ILE 53 -8.759 3.284 -12.442
421 HB ILE 53 HB ILE 53 -10.720 5.577 -12.720
422 HG12 ILE 53 HG12 ILE 53 -10.806 3.121 -10.939
423 HG13 ILE 53 HG13 ILE 53 -10.361 4.735 -10.384
424 HG21 ILE 53 HG21 ILE 53 -11.976 3.074 -13.020
425 HG22 ILE 53 HG22 ILE 53 -10.509 2.983 -13.995
426 HG23 ILE 53 HG23 ILE 53 -11.681 4.269 -14.284
427 HD11 ILE 53 HD11 ILE 53 -12.975 3.650 -10.644
428 HD12 ILE 53 HD12 ILE 53 -12.813 4.908 -11.870
429 HD13 ILE 53 HD13 ILE 53 -12.530 5.291 -10.172
430 H LYS 54 H LYS 54 -8.551 6.626 -13.697
431 HA LYS 54 HA LYS 54 -8.707 5.990 -16.448
432 HB2 LYS 54 HB2 LYS 54 -7.243 8.213 -15.014
433 HB3 LYS 54 HB3 LYS 54 -7.409 8.129 -16.766
434 HG2 LYS 54 HG2 LYS 54 -9.887 8.060 -16.495
435 HG3 LYS 54 HG3 LYS 54 -9.673 8.266 -14.757
436 HD2 LYS 54 HD2 LYS 54 -8.462 10.398 -15.186
437 HD3 LYS 54 HD3 LYS 54 -8.781 10.205 -16.909
438 HE2 LYS 54 HE2 LYS 54 -10.730 11.287 -16.566
439 HE3 LYS 54 HE3 LYS 54 -11.277 9.853 -15.696
440 HZ1 LYS 54 HZ1 LYS 54 -10.227 10.805 -13.682
441 HZ2 LYS 54 HZ2 LYS 54 -11.521 11.732 -14.277
442 HZ3 LYS 54 HZ3 LYS 54 -9.919 12.229 -14.550
443 H LYS 55 H LYS 55 -5.876 6.076 -14.299
444 HA LYS 55 HA LYS 55 -3.917 5.610 -16.316
445 HB2 LYS 55 HB2 LYS 55 -3.868 4.649 -13.439
446 HB3 LYS 55 HB3 LYS 55 -2.471 4.853 -14.493
447 HG2 LYS 55 HG2 LYS 55 -4.338 7.096 -13.671
448 HG3 LYS 55 HG3 LYS 55 -2.783 6.767 -12.912
449 HD2 LYS 55 HD2 LYS 55 -1.772 6.980 -15.266
450 HD3 LYS 55 HD3 LYS 55 -3.320 7.677 -15.744
451 HE2 LYS 55 HE2 LYS 55 -1.176 8.837 -14.080
452 HE3 LYS 55 HE3 LYS 55 -2.383 9.638 -15.085
453 HZ1 LYS 55 HZ1 LYS 55 -3.044 10.194 -12.965
454 HZ2 LYS 55 HZ2 LYS 55 -2.620 8.686 -12.309
455 HZ3 LYS 55 HZ3 LYS 55 -4.010 8.835 -13.276
456 H ASN 56 H ASN 56 -6.086 3.430 -14.606
457 HA ASN 56 HA ASN 56 -6.490 1.139 -14.897
458 HB2 ASN 56 HB2 ASN 56 -7.014 2.003 -17.204
459 HB3 ASN 56 HB3 ASN 56 -5.355 1.620 -17.665
460 HD21 ASN 56 HD21 ASN 56 -5.706 -0.777 -15.585
461 HD22 ASN 56 HD22 ASN 56 -6.473 -1.956 -16.534
462 H VAL 57 H VAL 57 -4.113 1.666 -13.594
463 HA VAL 57 HA VAL 57 -2.147 -0.184 -14.851
464 HB VAL 57 HB VAL 57 -1.374 2.116 -14.131
465 HG11 VAL 57 HG11 VAL 57 -1.522 1.083 -11.312
466 HG12 VAL 57 HG12 VAL 57 -2.922 1.896 -12.014
467 HG13 VAL 57 HG13 VAL 57 -1.384 2.747 -11.881
468 HG21 VAL 57 HG21 VAL 57 0.399 0.871 -12.437
469 HG22 VAL 57 HG22 VAL 57 0.514 0.845 -14.197
470 HG23 VAL 57 HG23 VAL 57 -0.253 -0.495 -13.342
471 H LEU 58 H LEU 58 -1.653 -2.103 -13.808
472 HA LEU 58 HA LEU 58 -3.463 -2.895 -11.637
473 HB2 LEU 58 HB2 LEU 58 -2.533 -4.301 -13.690
474 HB3 LEU 58 HB3 LEU 58 -1.193 -4.604 -12.587
475 HG LEU 58 HG LEU 58 -4.118 -5.246 -12.146
476 HD11 LEU 58 HD11 LEU 58 -2.936 -6.897 -13.457
477 HD12 LEU 58 HD12 LEU 58 -3.134 -7.541 -11.827
478 HD13 LEU 58 HD13 LEU 58 -1.577 -6.883 -12.331
479 HD21 LEU 58 HD21 LEU 58 -1.786 -5.195 -10.221
480 HD22 LEU 58 HD22 LEU 58 -3.189 -6.225 -9.952
481 HD23 LEU 58 HD23 LEU 58 -3.382 -4.476 -10.016
482 H TRP 59 H TRP 59 -2.899 -2.710 -9.504
483 HA TRP 59 HA TRP 59 -0.293 -1.692 -8.762
484 HB2 TRP 59 HB2 TRP 59 -2.692 -2.671 -7.225
485 HB3 TRP 59 HB3 TRP 59 -1.193 -2.274 -6.393
486 HD1 TRP 59 HD1 TRP 59 -4.288 -0.734 -7.475
487 HE1 TRP 59 HE1 TRP 59 -4.109 1.852 -7.538
488 HE3 TRP 59 HE3 TRP 59 0.763 -0.229 -7.126
489 HZ2 TRP 59 HZ2 TRP 59 -2.064 3.846 -7.430
490 HZ3 TRP 59 HZ3 TRP 59 1.808 2.013 -7.101
491 HH2 TRP 59 HH2 TRP 59 0.401 4.051 -7.249
492 H ASP 60 H ASP 60 1.515 -2.854 -8.380
493 HA ASP 60 HA ASP 60 1.270 -5.698 -7.543
494 HB2 ASP 60 HB2 ASP 60 2.947 -4.685 -9.857
495 HB3 ASP 60 HB3 ASP 60 3.076 -6.302 -9.165
496 H GLU 61 H GLU 61 3.554 -6.508 -6.886
497 HA GLU 61 HA GLU 61 4.596 -4.779 -4.879
498 HB2 GLU 61 HB2 GLU 61 5.906 -7.147 -6.253
499 HB3 GLU 61 HB3 GLU 61 6.486 -6.395 -4.769
500 HG2 GLU 61 HG2 GLU 61 5.193 -8.163 -3.944
501 HG3 GLU 61 HG3 GLU 61 4.054 -6.816 -3.902
502 H ASN 62 H ASN 62 5.615 -5.394 -8.216
503 HA ASN 62 HA ASN 62 8.015 -3.810 -8.092
504 HB2 ASN 62 HB2 ASN 62 6.241 -4.544 -10.438
505 HB3 ASN 62 HB3 ASN 62 7.832 -3.798 -10.584
506 HD21 ASN 62 HD21 ASN 62 9.276 -5.204 -8.607
507 HD22 ASN 62 HD22 ASN 62 9.344 -6.848 -9.023
508 H ASN 63 H ASN 63 4.688 -3.080 -9.114
509 HA ASN 63 HA ASN 63 5.164 -0.374 -9.895
510 HB2 ASN 63 HB2 ASN 63 2.650 -1.622 -8.748
511 HB3 ASN 63 HB3 ASN 63 2.726 -0.067 -9.572
512 HD21 ASN 63 HD21 ASN 63 1.431 -2.804 -10.318
513 HD22 ASN 63 HD22 ASN 63 1.970 -3.062 -11.903
514 H MET 64 H MET 64 4.392 -1.830 -6.754
515 HA MET 64 HA MET 64 3.923 0.569 -5.312
516 HB2 MET 64 HB2 MET 64 5.065 -2.100 -4.464
517 HB3 MET 64 HB3 MET 64 4.731 -0.800 -3.318
518 HG2 MET 64 HG2 MET 64 2.675 -1.948 -5.224
519 HG3 MET 64 HG3 MET 64 2.850 -2.451 -3.543
520 HE1 MET 64 HE1 MET 64 -0.347 -0.145 -4.283
521 HE2 MET 64 HE2 MET 64 0.018 -1.519 -3.241
522 HE3 MET 64 HE3 MET 64 0.440 -1.582 -4.950
523 H SER 65 H SER 65 6.958 -1.080 -6.143
524 HA SER 65 HA SER 65 8.663 0.578 -4.543
525 HB2 SER 65 HB2 SER 65 10.474 -0.250 -5.931
526 HB3 SER 65 HB3 SER 65 9.348 -1.575 -5.651
527 HG SER 65 HG SER 65 9.294 0.138 -7.916
528 H GLU 66 H GLU 66 7.351 0.919 -7.811
529 HA GLU 66 HA GLU 66 8.862 3.294 -8.461
530 HB2 GLU 66 HB2 GLU 66 6.274 2.182 -9.583
531 HB3 GLU 66 HB3 GLU 66 7.160 3.536 -10.279
532 HG2 GLU 66 HG2 GLU 66 9.154 2.074 -10.536
533 HG3 GLU 66 HG3 GLU 66 8.214 0.718 -9.914
534 H TYR 67 H TYR 67 5.728 2.670 -6.961
535 HA TYR 67 HA TYR 67 4.718 5.334 -7.017
536 HB2 TYR 67 HB2 TYR 67 3.133 3.732 -6.405
537 HB3 TYR 67 HB3 TYR 67 4.228 2.933 -5.278
538 HD1 TYR 67 HD2 TYR 67 2.676 6.314 -5.813
539 HD2 TYR 67 HD1 TYR 67 3.896 3.298 -3.011
540 HE1 TYR 67 HE2 TYR 67 1.779 7.683 -3.944
541 HE2 TYR 67 HE1 TYR 67 2.999 4.665 -1.147
542 HH TYR 67 HH TYR 67 1.234 7.673 -1.761
543 H LEU 68 H LEU 68 6.600 3.642 -4.484
544 HA LEU 68 HA LEU 68 6.722 5.885 -2.716
545 HB2 LEU 68 HB2 LEU 68 8.580 3.516 -3.058
546 HB3 LEU 68 HB3 LEU 68 8.646 4.648 -1.710
547 HG LEU 68 HG LEU 68 6.204 3.017 -2.465
548 HD11 LEU 68 HD11 LEU 68 8.459 2.551 -0.544
549 HD12 LEU 68 HD12 LEU 68 7.611 1.397 -1.574
550 HD13 LEU 68 HD13 LEU 68 6.836 2.008 -0.112
551 HD21 LEU 68 HD21 LEU 68 5.785 3.781 0.071
552 HD22 LEU 68 HD22 LEU 68 5.305 4.788 -1.293
553 HD23 LEU 68 HD23 LEU 68 6.810 5.124 -0.438
554 H THR 69 H THR 69 8.898 4.773 -5.289
555 HA THR 69 HA THR 69 10.843 6.875 -4.838
556 HB THR 69 HB THR 69 11.823 6.147 -6.949
557 HG1 THR 69 HG1 THR 69 9.721 4.346 -7.341
558 HG21 THR 69 HG21 THR 69 12.577 4.501 -5.591
559 HG22 THR 69 HG22 THR 69 11.385 3.482 -6.396
560 HG23 THR 69 HG23 THR 69 10.990 4.257 -4.863
561 H ASN 70 H ASN 70 8.039 6.480 -6.971
562 HA ASN 70 HA ASN 70 8.167 9.411 -7.513
563 HB2 ASN 70 HB2 ASN 70 7.640 7.231 -9.557
564 HB3 ASN 70 HB3 ASN 70 7.453 8.958 -9.858
565 HD21 ASN 70 HD21 ASN 70 9.343 7.376 -11.334
566 HD22 ASN 70 HD22 ASN 70 10.906 7.887 -10.915
567 H HIS 71 H HIS 71 6.216 10.371 -7.097
568 HA HIS 71 HA HIS 71 3.709 8.925 -7.551
569 HB2 HIS 71 HB2 HIS 71 2.994 9.371 -5.125
570 HB3 HIS 71 HB3 HIS 71 4.116 8.035 -5.388
571 HD1 HIS 71 HD1 HIS 71 3.721 11.075 -3.445
572 HD2 HIS 71 HD2 HIS 71 6.959 8.916 -4.948
573 HE1 HIS 71 HE1 HIS 71 5.763 11.858 -2.164
574 HE2 HIS 71 HE2 HIS 71 7.739 10.551 -3.071
575 H ALA 72 H ALA 72 2.223 10.404 -8.213
576 HA ALA 72 HA ALA 72 1.520 12.823 -7.076
577 HB1 ALA 72 HB1 ALA 72 2.800 14.366 -8.828
578 HB2 ALA 72 HB2 ALA 72 3.992 13.067 -8.756
579 HB3 ALA 72 HB3 ALA 72 3.544 13.938 -7.289
580 H LYS 73 H LYS 73 2.337 13.534 -10.324
581 HA LYS 73 HA LYS 73 -0.362 13.615 -11.200
582 HB2 LYS 73 HB2 LYS 73 2.189 13.332 -12.818
583 HB3 LYS 73 HB3 LYS 73 0.611 13.729 -13.500
584 HG2 LYS 73 HG2 LYS 73 0.510 15.723 -11.996
585 HG3 LYS 73 HG3 LYS 73 2.146 15.353 -11.450
586 HD2 LYS 73 HD2 LYS 73 2.928 15.510 -13.817
587 HD3 LYS 73 HD3 LYS 73 1.301 16.001 -14.289
588 HE2 LYS 73 HE2 LYS 73 2.097 17.618 -12.073
589 HE3 LYS 73 HE3 LYS 73 3.403 17.638 -13.257
590 HZ1 LYS 73 HZ1 LYS 73 2.059 18.536 -14.865
591 HZ2 LYS 73 HZ2 LYS 73 1.437 19.290 -13.474
592 HZ3 LYS 73 HZ3 LYS 73 0.626 17.964 -14.161
593 H TYR 74 H TYR 74 2.019 11.033 -11.255
594 HA TYR 74 HA TYR 74 0.832 9.233 -13.060
595 HB2 TYR 74 HB2 TYR 74 2.899 8.544 -12.230
596 HB3 TYR 74 HB3 TYR 74 2.467 8.917 -10.562
597 HD1 TYR 74 HD2 TYR 74 0.755 6.884 -13.214
598 HD2 TYR 74 HD1 TYR 74 2.534 6.975 -9.310
599 HE1 TYR 74 HE2 TYR 74 0.073 4.525 -12.849
600 HE2 TYR 74 HE1 TYR 74 1.854 4.621 -8.938
601 HH TYR 74 HH TYR 74 1.289 2.547 -10.875
602 H ILE 75 H ILE 75 0.047 9.824 -9.651
603 HA ILE 75 HA ILE 75 -2.438 8.185 -10.022
604 HB ILE 75 HB ILE 75 -2.067 8.273 -7.305
605 HG12 ILE 75 HG12 ILE 75 0.687 8.015 -8.523
606 HG13 ILE 75 HG13 ILE 75 0.105 9.474 -7.723
607 HG21 ILE 75 HG21 ILE 75 -0.755 6.002 -7.805
608 HG22 ILE 75 HG22 ILE 75 -1.288 6.325 -9.452
609 HG23 ILE 75 HG23 ILE 75 -2.475 6.142 -8.159
610 HD11 ILE 75 HD11 ILE 75 -0.357 8.117 -5.681
611 HD12 ILE 75 HD12 ILE 75 1.350 8.139 -6.121
612 HD13 ILE 75 HD13 ILE 75 0.365 6.722 -6.485
613 HA PRO 76 HA PRO 76 -5.240 11.453 -9.019
614 HB2 PRO 76 HB2 PRO 76 -5.665 10.510 -6.268
615 HB3 PRO 76 HB3 PRO 76 -6.821 10.631 -7.599
616 HG2 PRO 76 HG2 PRO 76 -5.453 8.310 -6.635
617 HG3 PRO 76 HG3 PRO 76 -6.640 8.423 -7.942
618 HD2 PRO 76 HD2 PRO 76 -3.962 7.796 -8.289
619 HD3 PRO 76 HD3 PRO 76 -5.022 8.402 -9.564
620 H GLY 77 H GLY 77 -2.429 10.926 -7.128
621 HA2 GLY 77 HA2 GLY 77 -1.064 12.680 -6.227
622 HA3 GLY 77 HA3 GLY 77 -2.450 13.774 -6.327
623 H THR 78 H THR 78 -3.260 10.747 -5.120
624 HA THR 78 HA THR 78 -4.447 11.315 -2.774
625 HB THR 78 HB THR 78 -4.176 9.023 -3.553
626 HG1 THR 78 HG1 THR 78 -4.643 9.027 -1.433
627 HG21 THR 78 HG21 THR 78 -1.552 8.469 -2.477
628 HG22 THR 78 HG22 THR 78 -1.453 9.751 -3.685
629 HG23 THR 78 HG23 THR 78 -2.162 8.194 -4.109
630 H LYS 79 H LYS 79 -3.947 12.284 -0.871
631 HA LYS 79 HA LYS 79 -1.454 13.552 -0.409
632 HB2 LYS 79 HB2 LYS 79 -3.609 12.751 1.568
633 HB3 LYS 79 HB3 LYS 79 -2.285 13.861 1.923
634 HG2 LYS 79 HG2 LYS 79 -3.050 15.311 0.040
635 HG3 LYS 79 HG3 LYS 79 -4.431 14.236 -0.185
636 HD2 LYS 79 HD2 LYS 79 -5.092 14.665 2.189
637 HD3 LYS 79 HD3 LYS 79 -3.781 15.839 2.305
638 HE2 LYS 79 HE2 LYS 79 -4.909 16.829 0.122
639 HE3 LYS 79 HE3 LYS 79 -6.335 16.001 0.750
640 HZ1 LYS 79 HZ1 LYS 79 -4.779 18.189 1.961
641 HZ2 LYS 79 HZ2 LYS 79 -5.690 17.144 2.945
642 HZ3 LYS 79 HZ3 LYS 79 -6.457 18.065 1.740
643 H MET 80 H MET 80 -2.678 10.411 0.736
644 HA MET 80 HA MET 80 -1.593 8.787 2.082
645 HB2 MET 80 HB2 MET 80 -0.123 9.327 -0.393
646 HB3 MET 80 HB3 MET 80 0.890 8.607 0.859
647 HG2 MET 80 HG2 MET 80 -1.825 7.506 0.094
648 HG3 MET 80 HG3 MET 80 -0.318 6.934 -0.622
649 HE1 MET 80 HE1 MET 80 1.295 5.529 0.291
650 HE2 MET 80 HE2 MET 80 1.494 4.993 1.959
651 HE3 MET 80 HE3 MET 80 1.872 6.658 1.524
652 H ALA 81 H ALA 81 -1.293 9.818 4.095
653 HA ALA 81 HA ALA 81 0.689 11.765 4.682
654 HB1 ALA 81 HB1 ALA 81 0.001 9.760 6.779
655 HB2 ALA 81 HB2 ALA 81 -1.324 10.707 6.104
656 HB3 ALA 81 HB3 ALA 81 0.038 11.521 6.876
657 H PHE 82 H PHE 82 0.881 8.246 4.519
658 HA PHE 82 HA PHE 82 3.457 8.014 5.790
659 HB2 PHE 82 HB2 PHE 82 1.658 6.186 5.134
660 HB3 PHE 82 HB3 PHE 82 2.583 6.117 3.634
661 HD1 PHE 82 HD1 PHE 82 2.758 5.702 7.311
662 HD2 PHE 82 HD2 PHE 82 4.802 5.174 3.569
663 HE1 PHE 82 HE1 PHE 82 4.471 4.309 8.442
664 HE2 PHE 82 HE2 PHE 82 6.515 3.782 4.703
665 HZ PHE 82 HZ PHE 82 6.346 3.350 7.139
666 H GLY 83 H GLY 83 4.190 10.075 4.510
667 HA2 GLY 83 HA2 GLY 83 4.797 10.034 1.761
668 HA3 GLY 83 HA3 GLY 83 5.727 10.934 2.958
669 H GLY 84 H GLY 84 6.612 8.653 4.484
670 HA2 GLY 84 HA2 GLY 84 7.836 6.650 2.862
671 HA3 GLY 84 HA3 GLY 84 8.982 7.974 3.080
672 H LEU 85 H LEU 85 9.686 5.566 4.117
673 HA LEU 85 HA LEU 85 9.189 5.864 7.053
674 HB2 LEU 85 HB2 LEU 85 8.319 3.747 6.094
675 HB3 LEU 85 HB3 LEU 85 9.936 3.367 5.505
676 HG LEU 85 HG LEU 85 10.789 3.391 7.814
677 HD11 LEU 85 HD11 LEU 85 8.734 3.287 9.534
678 HD12 LEU 85 HD12 LEU 85 8.022 4.364 8.333
679 HD13 LEU 85 HD13 LEU 85 9.535 4.804 9.124
680 HD21 LEU 85 HD21 LEU 85 8.323 1.666 7.426
681 HD22 LEU 85 HD22 LEU 85 9.590 1.367 8.616
682 HD23 LEU 85 HD23 LEU 85 9.957 1.270 6.894
683 H LYS 86 H LYS 86 10.984 6.200 8.321
684 HA LYS 86 HA LYS 86 13.481 6.916 7.184
685 HB2 LYS 86 HB2 LYS 86 12.731 7.535 9.490
686 HB3 LYS 86 HB3 LYS 86 13.001 5.866 9.990
687 HG2 LYS 86 HG2 LYS 86 15.378 6.061 9.302
688 HG3 LYS 86 HG3 LYS 86 15.099 7.749 8.872
689 HD2 LYS 86 HD2 LYS 86 14.377 8.181 11.227
690 HD3 LYS 86 HD3 LYS 86 14.814 6.520 11.629
691 HE2 LYS 86 HE2 LYS 86 16.997 7.056 11.781
692 HE3 LYS 86 HE3 LYS 86 16.970 7.836 10.200
693 HZ1 LYS 86 HZ1 LYS 86 15.938 9.107 12.672
694 HZ2 LYS 86 HZ2 LYS 86 16.187 9.841 11.161
695 HZ3 LYS 86 HZ3 LYS 86 17.515 9.334 12.091
696 H LYS 87 H LYS 87 12.344 3.819 8.502
697 HA LYS 87 HA LYS 87 14.936 2.564 7.780
698 HB2 LYS 87 HB2 LYS 87 12.485 1.453 9.188
699 HB3 LYS 87 HB3 LYS 87 13.974 0.553 8.897
700 HG2 LYS 87 HG2 LYS 87 15.232 2.287 10.178
701 HG3 LYS 87 HG3 LYS 87 13.700 3.083 10.545
702 HD2 LYS 87 HD2 LYS 87 12.903 0.967 11.608
703 HD3 LYS 87 HD3 LYS 87 14.498 0.267 11.334
704 HE2 LYS 87 HE2 LYS 87 14.716 2.870 12.600
705 HE3 LYS 87 HE3 LYS 87 13.700 1.788 13.553
706 HZ1 LYS 87 HZ1 LYS 87 16.502 1.753 13.228
707 HZ2 LYS 87 HZ2 LYS 87 15.853 0.288 12.661
708 HZ3 LYS 87 HZ3 LYS 87 15.538 0.803 14.250
709 H GLU 88 H GLU 88 14.919 2.340 5.552
710 HA GLU 88 HA GLU 88 12.609 1.691 3.994
711 HB2 GLU 88 HB2 GLU 88 15.557 1.316 3.396
712 HB3 GLU 88 HB3 GLU 88 14.267 1.139 2.206
713 HG2 GLU 88 HG2 GLU 88 13.559 3.478 2.656
714 HG3 GLU 88 HG3 GLU 88 14.905 3.650 3.783
715 H LYS 89 H LYS 89 15.075 -0.340 5.543
716 HA LYS 89 HA LYS 89 14.435 -2.793 4.275
717 HB2 LYS 89 HB2 LYS 89 15.342 -2.272 7.122
718 HB3 LYS 89 HB3 LYS 89 15.367 -3.844 6.328
719 HG2 LYS 89 HG2 LYS 89 16.850 -2.889 4.563
720 HG3 LYS 89 HG3 LYS 89 16.895 -1.375 5.467
721 HD2 LYS 89 HD2 LYS 89 17.788 -2.639 7.437
722 HD3 LYS 89 HD3 LYS 89 17.871 -4.080 6.424
723 HE2 LYS 89 HE2 LYS 89 19.110 -1.826 5.089
724 HE3 LYS 89 HE3 LYS 89 19.836 -2.085 6.675
725 HZ1 LYS 89 HZ1 LYS 89 20.153 -4.413 6.110
726 HZ2 LYS 89 HZ2 LYS 89 20.932 -3.408 4.983
727 HZ3 LYS 89 HZ3 LYS 89 19.462 -4.158 4.582
728 H ASP 90 H ASP 90 13.100 -1.343 7.245
729 HA ASP 90 HA ASP 90 11.232 -3.434 7.787
730 HB2 ASP 90 HB2 ASP 90 11.151 -0.477 8.455
731 HB3 ASP 90 HB3 ASP 90 10.056 -1.680 9.128
732 H ARG 91 H ARG 91 11.052 -0.501 5.812
733 HA ARG 91 HA ARG 91 8.286 -0.577 5.186
734 HB2 ARG 91 HB2 ARG 91 9.861 1.286 4.606
735 HB3 ARG 91 HB3 ARG 91 10.543 0.263 3.344
736 HG2 ARG 91 HG2 ARG 91 8.370 0.125 2.234
737 HG3 ARG 91 HG3 ARG 91 7.625 1.064 3.528
738 HD2 ARG 91 HD2 ARG 91 8.078 2.583 1.710
739 HD3 ARG 91 HD3 ARG 91 9.242 2.927 2.989
740 HE ARG 91 HE ARG 91 10.159 1.030 0.930
741 HH11 ARG 91 HH21 ARG 91 9.979 4.264 2.122
742 HH12 ARG 91 HH22 ARG 91 11.377 4.802 1.253
743 HH21 ARG 91 HH11 ARG 91 11.984 1.718 -0.211
744 HH22 ARG 91 HH12 ARG 91 12.511 3.362 -0.068
745 H ASN 92 H ASN 92 11.047 -2.263 3.736
746 HA ASN 92 HA ASN 92 9.730 -3.393 1.506
747 HB2 ASN 92 HB2 ASN 92 11.924 -4.556 3.249
748 HB3 ASN 92 HB3 ASN 92 11.458 -5.185 1.671
749 HD21 ASN 92 HD21 ASN 92 14.100 -4.152 2.174
750 HD22 ASN 92 HD22 ASN 92 14.297 -2.743 1.247
751 H ASP 93 H ASP 93 9.871 -4.451 4.889
752 HA ASP 93 HA ASP 93 8.574 -6.959 4.548
753 HB2 ASP 93 HB2 ASP 93 8.556 -5.025 6.880
754 HB3 ASP 93 HB3 ASP 93 7.909 -6.660 6.955
755 H LEU 94 H LEU 94 7.274 -3.685 4.923
756 HA LEU 94 HA LEU 94 4.536 -4.376 5.247
757 HB2 LEU 94 HB2 LEU 94 5.795 -1.974 3.898
758 HB3 LEU 94 HB3 LEU 94 4.097 -2.097 4.335
759 HG LEU 94 HG LEU 94 6.418 -2.284 6.275
760 HD11 LEU 94 HD11 LEU 94 5.226 -0.029 5.075
761 HD12 LEU 94 HD12 LEU 94 6.290 -0.042 6.482
762 HD13 LEU 94 HD13 LEU 94 4.540 -0.119 6.697
763 HD21 LEU 94 HD21 LEU 94 4.799 -3.444 7.421
764 HD22 LEU 94 HD22 LEU 94 3.487 -2.757 6.465
765 HD23 LEU 94 HD23 LEU 94 4.206 -1.822 7.774
766 H ILE 95 H ILE 95 6.458 -3.861 2.291
767 HA ILE 95 HA ILE 95 4.344 -4.054 0.425
768 HB ILE 95 HB ILE 95 7.160 -5.115 0.065
769 HG12 ILE 95 HG12 ILE 95 7.373 -2.876 0.926
770 HG13 ILE 95 HG13 ILE 95 7.595 -2.774 -0.821
771 HG21 ILE 95 HG21 ILE 95 6.769 -4.989 -2.208
772 HG22 ILE 95 HG22 ILE 95 5.560 -3.718 -2.033
773 HG23 ILE 95 HG23 ILE 95 5.146 -5.386 -1.648
774 HD11 ILE 95 HD11 ILE 95 5.200 -1.968 0.820
775 HD12 ILE 95 HD12 ILE 95 5.037 -2.324 -0.899
776 HD13 ILE 95 HD13 ILE 95 6.094 -1.017 -0.366
777 H THR 96 H THR 96 6.419 -6.609 1.791
778 HA THR 96 HA THR 96 5.237 -8.789 0.395
779 HB THR 96 HB THR 96 6.327 -8.871 3.222
780 HG1 THR 96 HG1 THR 96 8.037 -8.118 2.252
781 HG21 THR 96 HG21 THR 96 6.685 -11.154 2.850
782 HG22 THR 96 HG22 THR 96 6.614 -10.978 1.097
783 HG23 THR 96 HG23 THR 96 5.135 -10.881 2.054
784 H TYR 97 H TYR 97 4.389 -7.292 3.516
785 HA TYR 97 HA TYR 97 2.299 -9.115 4.194
786 HB2 TYR 97 HB2 TYR 97 3.264 -7.505 5.803
787 HB3 TYR 97 HB3 TYR 97 2.537 -6.175 4.901
788 HD1 TYR 97 HD1 TYR 97 1.794 -9.214 6.904
789 HD2 TYR 97 HD2 TYR 97 0.210 -5.649 5.105
790 HE1 TYR 97 HE1 TYR 97 -0.337 -9.540 8.131
791 HE2 TYR 97 HE2 TYR 97 -1.918 -5.975 6.333
792 HH TYR 97 HH TYR 97 -3.148 -8.093 7.350
793 H LEU 98 H LEU 98 2.246 -6.082 2.317
794 HA LEU 98 HA LEU 98 -0.551 -5.853 2.020
795 HB2 LEU 98 HB2 LEU 98 1.806 -4.781 0.713
796 HB3 LEU 98 HB3 LEU 98 0.530 -5.100 -0.461
797 HG LEU 98 HG LEU 98 -1.058 -3.785 0.828
798 HD11 LEU 98 HD11 LEU 98 0.367 -2.470 2.791
799 HD12 LEU 98 HD12 LEU 98 1.002 -4.112 2.898
800 HD13 LEU 98 HD13 LEU 98 -0.729 -3.825 3.071
801 HD21 LEU 98 HD21 LEU 98 -0.140 -2.144 -0.445
802 HD22 LEU 98 HD22 LEU 98 1.505 -2.677 -0.102
803 HD23 LEU 98 HD23 LEU 98 0.659 -1.635 1.042
804 H LYS 99 H LYS 99 1.750 -7.846 0.187
805 HA LYS 99 HA LYS 99 -0.083 -8.777 -1.785
806 HB2 LYS 99 HB2 LYS 99 2.381 -9.233 -1.811
807 HB3 LYS 99 HB3 LYS 99 2.154 -10.354 -0.468
808 HG2 LYS 99 HG2 LYS 99 0.638 -11.718 -1.840
809 HG3 LYS 99 HG3 LYS 99 0.808 -10.583 -3.177
810 HD2 LYS 99 HD2 LYS 99 2.310 -12.424 -3.600
811 HD3 LYS 99 HD3 LYS 99 3.290 -11.033 -3.141
812 HE2 LYS 99 HE2 LYS 99 4.082 -12.088 -1.310
813 HE3 LYS 99 HE3 LYS 99 2.465 -12.583 -0.811
814 HZ1 LYS 99 HZ1 LYS 99 2.560 -14.480 -2.150
815 HZ2 LYS 99 HZ2 LYS 99 4.086 -14.409 -1.408
816 HZ3 LYS 99 HZ3 LYS 99 3.900 -13.919 -3.025
817 H LYS 100 H LYS 100 0.651 -9.932 1.489
818 HA LYS 100 HA LYS 100 -1.142 -12.163 1.452
819 HB2 LYS 100 HB2 LYS 100 0.657 -11.795 3.161
820 HB3 LYS 100 HB3 LYS 100 -0.320 -10.496 3.846
821 HG2 LYS 100 HG2 LYS 100 -2.119 -12.039 4.360
822 HG3 LYS 100 HG3 LYS 100 -1.288 -13.350 3.522
823 HD2 LYS 100 HD2 LYS 100 -0.899 -13.623 5.894
824 HD3 LYS 100 HD3 LYS 100 0.611 -13.092 5.155
825 HE2 LYS 100 HE2 LYS 100 0.381 -10.892 5.983
826 HE3 LYS 100 HE3 LYS 100 -1.338 -11.104 6.315
827 HZ1 LYS 100 HZ1 LYS 100 0.914 -11.721 7.957
828 HZ2 LYS 100 HZ2 LYS 100 -0.109 -13.064 7.768
829 HZ3 LYS 100 HZ3 LYS 100 -0.726 -11.602 8.377
830 H ALA 101 H ALA 101 -1.597 -8.725 2.127
831 HA ALA 101 HA ALA 101 -4.169 -8.887 3.326
832 HB1 ALA 101 HB1 ALA 101 -4.343 -6.567 2.939
833 HB2 ALA 101 HB2 ALA 101 -3.375 -6.651 1.467
834 HB3 ALA 101 HB3 ALA 101 -2.604 -6.837 3.041
835 H THR 102 H THR 102 -3.182 -8.941 -0.075
836 HA THR 102 HA THR 102 -5.839 -8.632 -1.137
837 HB THR 102 HB THR 102 -3.389 -8.616 -2.275
838 HG1 THR 102 HG1 THR 102 -4.873 -9.270 -4.243
839 HG21 THR 102 HG21 THR 102 -3.287 -11.146 -1.925
840 HG22 THR 102 HG22 THR 102 -2.977 -10.578 -3.563
841 HG23 THR 102 HG23 THR 102 -4.546 -11.268 -3.154
842 H GLU 103 H GLU 103 -3.992 -11.387 0.032
843 HA GLU 103 HA GLU 103 -4.620 -13.631 0.339
844 HB2 GLU 103 HB2 GLU 103 -7.357 -12.326 0.452
845 HB3 GLU 103 HB3 GLU 103 -6.998 -13.971 0.977
846 HG2 GLU 103 HG2 GLU 103 -5.364 -13.074 2.615
847 HG3 GLU 103 HG3 GLU 103 -5.785 -11.435 2.116
848 HHA HEC 104 HA HEC 104 -3.667 4.441 -1.953
849 HHB HEC 104 HB HEC 104 0.890 1.455 1.230
850 HHC HEC 104 HC HEC 104 -0.741 4.574 6.494
851 HHD HEC 104 HD HEC 104 -5.043 7.841 3.190
852 HMA1 HEC 104 1HMA HEC 104 0.059 0.141 -0.429
853 HMA2 HEC 104 2HMA HEC 104 0.978 1.034 -1.640
854 HMA3 HEC 104 3HMA HEC 104 -0.592 0.341 -2.056
855 HAA1 HEC 104 1HAA HEC 104 -1.196 2.009 -3.481
856 HAA2 HEC 104 2HAA HEC 104 -2.687 2.930 -3.353
857 HBA1 HEC 104 1HBA HEC 104 -0.391 3.882 -4.469
858 HBA2 HEC 104 2HBA HEC 104 -0.234 4.482 -2.818
859 HMB1 HEC 104 1HMB HEC 104 3.045 2.010 4.284
860 HMB2 HEC 104 2HMB HEC 104 2.291 0.516 3.724
861 HMB3 HEC 104 3HMB HEC 104 2.670 1.799 2.577
862 HAB HEC 104 HAB HEC 104 1.387 2.775 6.908
863 HBB1 HEC 104 1HBB HEC 104 0.867 0.177 5.443
864 HBB2 HEC 104 2HBB HEC 104 1.170 0.194 7.170
865 HBB3 HEC 104 3HBB HEC 104 2.400 0.785 6.066
866 HMC1 HEC 104 1HMC HEC 104 -0.974 6.933 7.213
867 HMC2 HEC 104 2HMC HEC 104 -2.295 6.174 8.100
868 HMC3 HEC 104 3HMC HEC 104 -2.437 7.850 7.569
869 HAC HEC 104 HAC HEC 104 -5.645 7.700 5.341
870 HBC1 HEC 104 1HBC HEC 104 -3.663 9.589 5.414
871 HBC2 HEC 104 2HBC HEC 104 -5.333 9.889 5.893
872 HBC3 HEC 104 3HBC HEC 104 -4.120 9.506 7.115
873 HMD1 HEC 104 1HMD HEC 104 -6.063 8.653 -0.420
874 HMD2 HEC 104 2HMD HEC 104 -5.247 9.105 1.077
875 HMD3 HEC 104 3HMD HEC 104 -6.813 8.296 1.135
876 HAD1 HEC 104 1HAD HEC 104 -6.718 6.740 -1.499
877 HAD2 HEC 104 2HAD HEC 104 -6.224 5.060 -1.648
878 HBD1 HEC 104 1HBD HEC 104 -4.229 6.894 -2.733
879 HBD2 HEC 104 2HBD HEC 104 -4.990 5.489 -3.481
Start of MODEL 11
1 H1 THR -5 H1 THR -5 18.095 -0.799 -5.670
2 H2 THR -5 H2 THR -5 17.638 -2.396 -5.312
3 H3 THR -5 H3 THR -5 18.309 -1.410 -4.102
4 HA THR -5 HA THR -5 16.317 -0.683 -3.525
5 HB THR -5 HB THR -5 16.445 1.145 -5.013
6 HG1 THR -5 HG1 THR -5 14.343 1.168 -6.000
7 HG21 THR -5 HG21 THR -5 15.864 0.673 -7.524
8 HG22 THR -5 HG22 THR -5 16.313 -0.986 -7.128
9 HG23 THR -5 HG23 THR -5 17.487 0.317 -6.934
10 H GLU -4 H GLU -4 16.713 -3.269 -5.578
11 HA GLU -4 HA GLU -4 14.078 -3.984 -6.341
12 HB2 GLU -4 HB2 GLU -4 16.369 -5.787 -5.497
13 HB3 GLU -4 HB3 GLU -4 14.927 -6.316 -6.364
14 HG2 GLU -4 HG2 GLU -4 15.485 -4.737 -8.205
15 HG3 GLU -4 HG3 GLU -4 16.965 -4.298 -7.351
16 H PHE -3 H PHE -3 12.422 -5.086 -5.256
17 HA PHE -3 HA PHE -3 12.696 -5.140 -2.291
18 HB2 PHE -3 HB2 PHE -3 10.767 -3.935 -2.710
19 HB3 PHE -3 HB3 PHE -3 10.409 -4.820 -4.191
20 HD1 PHE -3 HD1 PHE -3 11.144 -6.086 -0.735
21 HD2 PHE -3 HD2 PHE -3 8.270 -5.741 -3.908
22 HE1 PHE -3 HE1 PHE -3 9.596 -7.570 0.503
23 HE2 PHE -3 HE2 PHE -3 6.722 -7.222 -2.667
24 HZ PHE -3 HZ PHE -3 7.383 -8.136 -0.460
25 H LYS -2 H LYS -2 12.938 -7.076 -1.317
26 HA LYS -2 HA LYS -2 12.164 -9.527 -2.832
27 HB2 LYS -2 HB2 LYS -2 14.218 -9.138 -0.634
28 HB3 LYS -2 HB3 LYS -2 13.795 -10.698 -1.343
29 HG2 LYS -2 HG2 LYS -2 14.440 -9.805 -3.587
30 HG3 LYS -2 HG3 LYS -2 14.977 -8.318 -2.803
31 HD2 LYS -2 HD2 LYS -2 16.555 -9.654 -1.413
32 HD3 LYS -2 HD3 LYS -2 16.065 -11.102 -2.294
33 HE2 LYS -2 HE2 LYS -2 18.114 -10.229 -3.285
34 HE3 LYS -2 HE3 LYS -2 16.782 -9.999 -4.420
35 HZ1 LYS -2 HZ1 LYS -2 18.421 -8.050 -3.147
36 HZ2 LYS -2 HZ2 LYS -2 16.775 -7.756 -2.843
37 HZ3 LYS -2 HZ3 LYS -2 17.340 -7.866 -4.441
38 H ALA -1 H ALA -1 10.619 -10.838 -1.920
39 HA ALA -1 HA ALA -1 8.971 -9.903 0.182
40 HB1 ALA -1 HB1 ALA -1 8.728 -12.697 0.200
41 HB2 ALA -1 HB2 ALA -1 9.177 -12.288 -1.457
42 HB3 ALA -1 HB3 ALA -1 7.747 -11.558 -0.724
43 H GLY 1 H GLY 1 10.063 -9.382 2.076
44 HA2 GLY 1 HA2 GLY 1 12.000 -11.200 3.282
45 HA3 GLY 1 HA3 GLY 1 11.373 -9.722 4.015
46 H SER 2 H SER 2 10.117 -10.065 5.778
47 HA SER 2 HA SER 2 8.571 -12.630 5.915
48 HB2 SER 2 HB2 SER 2 9.810 -11.069 8.201
49 HB3 SER 2 HB3 SER 2 8.866 -12.546 8.361
50 HG SER 2 HG SER 2 10.467 -13.547 7.000
51 H ALA 3 H ALA 3 6.409 -12.430 6.400
52 HA ALA 3 HA ALA 3 5.213 -9.789 6.265
53 HB1 ALA 3 HB1 ALA 3 4.261 -12.596 6.394
54 HB2 ALA 3 HB2 ALA 3 3.711 -11.267 5.374
55 HB3 ALA 3 HB3 ALA 3 3.162 -11.381 7.045
56 H LYS 4 H LYS 4 6.071 -12.014 8.837
57 HA LYS 4 HA LYS 4 4.453 -10.997 10.928
58 HB2 LYS 4 HB2 LYS 4 7.314 -11.970 11.156
59 HB3 LYS 4 HB3 LYS 4 6.090 -11.975 12.424
60 HG2 LYS 4 HG2 LYS 4 4.691 -13.468 10.948
61 HG3 LYS 4 HG3 LYS 4 6.086 -13.589 9.875
62 HD2 LYS 4 HD2 LYS 4 6.096 -14.340 12.814
63 HD3 LYS 4 HD3 LYS 4 5.977 -15.490 11.480
64 HE2 LYS 4 HE2 LYS 4 8.156 -14.210 10.646
65 HE3 LYS 4 HE3 LYS 4 8.315 -13.850 12.365
66 HZ1 LYS 4 HZ1 LYS 4 9.407 -15.951 11.595
67 HZ2 LYS 4 HZ2 LYS 4 7.854 -16.586 11.326
68 HZ3 LYS 4 HZ3 LYS 4 8.330 -16.133 12.893
69 H LYS 5 H LYS 5 7.755 -10.074 9.976
70 HA LYS 5 HA LYS 5 8.034 -7.970 11.885
71 HB2 LYS 5 HB2 LYS 5 9.318 -8.344 9.164
72 HB3 LYS 5 HB3 LYS 5 9.831 -7.148 10.351
73 HG2 LYS 5 HG2 LYS 5 10.267 -8.953 11.983
74 HG3 LYS 5 HG3 LYS 5 9.771 -10.147 10.785
75 HD2 LYS 5 HD2 LYS 5 12.198 -9.998 10.770
76 HD3 LYS 5 HD3 LYS 5 11.580 -9.305 9.270
77 HE2 LYS 5 HE2 LYS 5 12.273 -7.202 9.805
78 HE3 LYS 5 HE3 LYS 5 11.848 -7.387 11.506
79 HZ1 LYS 5 HZ1 LYS 5 14.191 -7.250 11.377
80 HZ2 LYS 5 HZ2 LYS 5 14.270 -8.400 10.129
81 HZ3 LYS 5 HZ3 LYS 5 13.824 -8.874 11.698
82 H GLY 6 H GLY 6 6.956 -7.886 8.474
83 HA2 GLY 6 HA2 GLY 6 6.517 -5.052 8.425
84 HA3 GLY 6 HA3 GLY 6 5.788 -6.201 7.312
85 H ALA 7 H ALA 7 4.523 -7.776 9.467
86 HA ALA 7 HA ALA 7 2.011 -6.474 9.592
87 HB1 ALA 7 HB1 ALA 7 1.830 -8.732 10.099
88 HB2 ALA 7 HB2 ALA 7 1.785 -8.051 11.725
89 HB3 ALA 7 HB3 ALA 7 3.285 -8.730 11.094
90 H THR 8 H THR 8 4.700 -6.521 11.908
91 HA THR 8 HA THR 8 3.409 -4.942 13.928
92 HB THR 8 HB THR 8 5.660 -4.601 14.784
93 HG1 THR 8 HG1 THR 8 7.440 -5.085 13.518
94 HG21 THR 8 HG21 THR 8 5.889 -7.308 13.544
95 HG22 THR 8 HG22 THR 8 4.525 -6.984 14.615
96 HG23 THR 8 HG23 THR 8 6.176 -6.819 15.214
97 H LEU 9 H LEU 9 5.478 -4.189 11.178
98 HA LEU 9 HA LEU 9 5.646 -1.372 11.520
99 HB2 LEU 9 HB2 LEU 9 5.648 -3.029 8.988
100 HB3 LEU 9 HB3 LEU 9 6.183 -1.361 9.099
101 HG LEU 9 HG LEU 9 7.389 -3.725 10.559
102 HD11 LEU 9 HD11 LEU 9 8.497 -3.913 8.595
103 HD12 LEU 9 HD12 LEU 9 9.350 -2.453 9.096
104 HD13 LEU 9 HD13 LEU 9 7.944 -2.334 8.039
105 HD21 LEU 9 HD21 LEU 9 9.158 -1.787 10.996
106 HD22 LEU 9 HD22 LEU 9 7.775 -2.001 12.069
107 HD23 LEU 9 HD23 LEU 9 7.737 -0.759 10.817
108 H PHE 10 H PHE 10 3.328 -3.355 9.672
109 HA PHE 10 HA PHE 10 1.794 -1.106 8.724
110 HB2 PHE 10 HB2 PHE 10 1.810 -3.451 7.743
111 HB3 PHE 10 HB3 PHE 10 0.821 -3.951 9.110
112 HD1 PHE 10 HD2 PHE 10 0.934 -1.908 6.043
113 HD2 PHE 10 HD1 PHE 10 -1.503 -3.240 9.320
114 HE1 PHE 10 HE2 PHE 10 -1.092 -1.105 4.862
115 HE2 PHE 10 HE1 PHE 10 -3.531 -2.440 8.136
116 HZ PHE 10 HZ PHE 10 -3.328 -1.370 5.904
117 H LYS 11 H LYS 11 1.180 -3.489 11.320
118 HA LYS 11 HA LYS 11 -1.210 -2.301 12.279
119 HB2 LYS 11 HB2 LYS 11 0.882 -3.960 13.703
120 HB3 LYS 11 HB3 LYS 11 -0.683 -3.542 14.395
121 HG2 LYS 11 HG2 LYS 11 -1.802 -4.623 12.451
122 HG3 LYS 11 HG3 LYS 11 -0.220 -5.114 11.846
123 HD2 LYS 11 HD2 LYS 11 0.176 -6.332 13.993
124 HD3 LYS 11 HD3 LYS 11 -1.469 -5.925 14.487
125 HE2 LYS 11 HE2 LYS 11 -1.940 -6.975 12.020
126 HE3 LYS 11 HE3 LYS 11 -0.531 -7.917 12.507
127 HZ1 LYS 11 HZ1 LYS 11 -2.387 -9.075 13.312
128 HZ2 LYS 11 HZ2 LYS 11 -3.128 -7.664 13.904
129 HZ3 LYS 11 HZ3 LYS 11 -1.744 -8.284 14.668
130 H THR 12 H THR 12 2.168 -1.581 12.977
131 HA THR 12 HA THR 12 1.399 0.289 15.119
132 HB THR 12 HB THR 12 3.805 0.639 15.388
133 HG1 THR 12 HG1 THR 12 4.822 0.525 13.551
134 HG21 THR 12 HG21 THR 12 2.626 -2.082 15.247
135 HG22 THR 12 HG22 THR 12 3.368 -1.244 16.610
136 HG23 THR 12 HG23 THR 12 4.382 -2.001 15.381
137 H ARG 13 H ARG 13 1.536 0.482 11.747
138 HA ARG 13 HA ARG 13 1.561 3.427 11.956
139 HB2 ARG 13 HB2 ARG 13 3.533 1.876 10.265
140 HB3 ARG 13 HB3 ARG 13 3.235 3.602 10.086
141 HG2 ARG 13 HG2 ARG 13 3.810 3.865 12.536
142 HG3 ARG 13 HG3 ARG 13 4.309 2.173 12.532
143 HD2 ARG 13 HD2 ARG 13 5.885 2.708 10.649
144 HD3 ARG 13 HD3 ARG 13 5.480 4.411 10.861
145 HE ARG 13 HE ARG 13 6.250 3.516 13.398
146 HH11 ARG 13 HH21 ARG 13 7.558 3.670 10.212
147 HH12 ARG 13 HH22 ARG 13 9.196 3.842 10.748
148 HH21 ARG 13 HH11 ARG 13 8.382 3.737 14.118
149 HH22 ARG 13 HH12 ARG 13 9.663 3.879 12.960
150 H CYS 14 H CYS 14 -0.478 1.388 11.139
151 HA CYS 14 HA CYS 14 -1.232 2.748 8.641
152 HB2 CYS 14 HB2 CYS 14 0.248 0.496 8.330
153 HB3 CYS 14 HB3 CYS 14 -1.362 -0.198 8.395
154 H LEU 15 H LEU 15 -2.147 1.813 11.557
155 HA LEU 15 HA LEU 15 -4.753 0.625 10.799
156 HB2 LEU 15 HB2 LEU 15 -3.716 1.344 13.556
157 HB3 LEU 15 HB3 LEU 15 -5.110 0.328 13.185
158 HG LEU 15 HG LEU 15 -2.213 -0.268 12.534
159 HD11 LEU 15 HD11 LEU 15 -2.684 -0.742 14.840
160 HD12 LEU 15 HD12 LEU 15 -2.741 -2.287 13.990
161 HD13 LEU 15 HD13 LEU 15 -4.239 -1.469 14.436
162 HD21 LEU 15 HD21 LEU 15 -3.418 -2.537 11.887
163 HD22 LEU 15 HD22 LEU 15 -3.304 -1.221 10.719
164 HD23 LEU 15 HD23 LEU 15 -4.800 -1.478 11.620
165 H GLN 16 H GLN 16 -3.529 3.665 10.869
166 HA GLN 16 HA GLN 16 -5.871 4.949 12.132
167 HB2 GLN 16 HB2 GLN 16 -4.687 7.033 11.755
168 HB3 GLN 16 HB3 GLN 16 -3.550 5.860 12.420
169 HG2 GLN 16 HG2 GLN 16 -2.867 5.310 10.052
170 HG3 GLN 16 HG3 GLN 16 -3.851 6.674 9.518
171 HE21 GLN 16 HE21 GLN 16 -2.215 8.173 8.918
172 HE22 GLN 16 HE22 GLN 16 -1.019 8.736 9.981
173 H CYS 17 H CYS 17 -5.455 3.495 9.242
174 HA CYS 17 HA CYS 17 -7.507 5.199 7.987
175 HB2 CYS 17 HB2 CYS 17 -4.740 4.825 6.839
176 HB3 CYS 17 HB3 CYS 17 -6.116 5.293 5.844
177 H HIS 18 H HIS 18 -5.310 3.007 6.300
178 HA HIS 18 HA HIS 18 -7.346 1.524 5.044
179 HB2 HIS 18 HB2 HIS 18 -4.551 0.627 5.801
180 HB3 HIS 18 HB3 HIS 18 -5.613 -0.244 4.696
181 HD1 HIS 18 HD1 HIS 18 -6.222 0.965 2.429
182 HD2 HIS 18 HD2 HIS 18 -3.296 2.883 4.693
183 HE1 HIS 18 HE1 HIS 18 -5.142 2.679 0.902
184 H THR 19 H THR 19 -5.731 0.877 8.143
185 HA THR 19 HA THR 19 -6.191 -0.798 9.747
186 HB THR 19 HB THR 19 -9.104 -0.501 9.269
187 HG1 THR 19 HG1 THR 19 -7.377 1.676 9.816
188 HG21 THR 19 HG21 THR 19 -7.719 -1.383 11.338
189 HG22 THR 19 HG22 THR 19 -9.184 -0.436 11.590
190 HG23 THR 19 HG23 THR 19 -7.603 0.334 11.725
191 H VAL 20 H VAL 20 -5.464 -2.663 8.602
192 HA VAL 20 HA VAL 20 -7.285 -4.064 6.795
193 HB VAL 20 HB VAL 20 -4.587 -4.803 7.939
194 HG11 VAL 20 HG11 VAL 20 -6.554 -6.305 6.310
195 HG12 VAL 20 HG12 VAL 20 -5.262 -6.906 7.351
196 HG13 VAL 20 HG13 VAL 20 -4.892 -6.339 5.722
197 HG21 VAL 20 HG21 VAL 20 -5.066 -2.865 6.170
198 HG22 VAL 20 HG22 VAL 20 -5.129 -4.231 5.057
199 HG23 VAL 20 HG23 VAL 20 -3.670 -3.931 6.001
200 H GLU 21 H GLU 21 -8.819 -3.954 8.854
201 HA GLU 21 HA GLU 21 -8.375 -5.951 10.905
202 HB2 GLU 21 HB2 GLU 21 -10.950 -4.617 10.016
203 HB3 GLU 21 HB3 GLU 21 -10.731 -5.531 11.507
204 HG2 GLU 21 HG2 GLU 21 -9.186 -3.032 10.759
205 HG3 GLU 21 HG3 GLU 21 -10.541 -3.082 11.884
206 H LYS 22 H LYS 22 -8.497 -6.560 7.837
207 HA LYS 22 HA LYS 22 -9.022 -8.460 6.582
208 HB2 LYS 22 HB2 LYS 22 -10.184 -9.651 9.102
209 HB3 LYS 22 HB3 LYS 22 -9.579 -10.495 7.681
210 HG2 LYS 22 HG2 LYS 22 -7.910 -8.800 9.558
211 HG3 LYS 22 HG3 LYS 22 -7.922 -10.557 9.483
212 HD2 LYS 22 HD2 LYS 22 -7.269 -10.325 7.022
213 HD3 LYS 22 HD3 LYS 22 -6.939 -8.629 7.382
214 HE2 LYS 22 HE2 LYS 22 -4.887 -9.961 7.589
215 HE3 LYS 22 HE3 LYS 22 -5.367 -9.307 9.155
216 HZ1 LYS 22 HZ1 LYS 22 -4.809 -11.886 8.706
217 HZ2 LYS 22 HZ2 LYS 22 -6.496 -11.890 8.510
218 HZ3 LYS 22 HZ3 LYS 22 -5.808 -11.335 9.960
219 H GLY 23 H GLY 23 -10.653 -6.673 5.877
220 HA2 GLY 23 HA2 GLY 23 -12.794 -6.816 4.729
221 HA3 GLY 23 HA3 GLY 23 -13.351 -7.926 5.980
222 H GLY 24 H GLY 24 -11.633 -5.283 7.266
223 HA2 GLY 24 HA2 GLY 24 -13.974 -4.283 8.626
224 HA3 GLY 24 HA3 GLY 24 -12.383 -3.522 8.638
225 HA PRO 25 HA PRO 25 -15.704 -1.327 5.868
226 HB2 PRO 25 HB2 PRO 25 -15.749 0.946 7.523
227 HB3 PRO 25 HB3 PRO 25 -17.009 -0.297 7.424
228 HG2 PRO 25 HG2 PRO 25 -14.866 0.066 9.430
229 HG3 PRO 25 HG3 PRO 25 -16.497 -0.598 9.618
230 HD2 PRO 25 HD2 PRO 25 -14.286 -2.179 9.578
231 HD3 PRO 25 HD3 PRO 25 -15.856 -2.727 8.949
232 H HIS 26 H HIS 26 -15.208 0.721 4.684
233 HA HIS 26 HA HIS 26 -12.280 1.140 4.576
234 HB2 HIS 26 HB2 HIS 26 -14.463 2.272 2.800
235 HB3 HIS 26 HB3 HIS 26 -12.729 2.356 2.505
236 HD1 HIS 26 HD1 HIS 26 -11.568 -0.220 2.531
237 HD2 HIS 26 HD2 HIS 26 -15.593 0.130 1.494
238 HE1 HIS 26 HE1 HIS 26 -12.170 -2.330 1.260
239 HE2 HIS 26 HE2 HIS 26 -14.618 -2.130 0.630
240 H LYS 27 H LYS 27 -11.295 3.012 5.211
241 HA LYS 27 HA LYS 27 -13.037 5.131 6.387
242 HB2 LYS 27 HB2 LYS 27 -10.093 4.518 6.824
243 HB3 LYS 27 HB3 LYS 27 -10.984 5.821 7.611
244 HG2 LYS 27 HG2 LYS 27 -12.551 4.125 8.561
245 HG3 LYS 27 HG3 LYS 27 -11.546 2.854 7.863
246 HD2 LYS 27 HD2 LYS 27 -9.599 3.738 9.154
247 HD3 LYS 27 HD3 LYS 27 -10.677 4.905 9.920
248 HE2 LYS 27 HE2 LYS 27 -11.266 1.946 9.989
249 HE3 LYS 27 HE3 LYS 27 -10.223 2.703 11.193
250 HZ1 LYS 27 HZ1 LYS 27 -12.078 3.234 12.260
251 HZ2 LYS 27 HZ2 LYS 27 -13.064 2.789 10.950
252 HZ3 LYS 27 HZ3 LYS 27 -12.399 4.350 11.024
253 H VAL 28 H VAL 28 -10.480 6.869 6.244
254 HA VAL 28 HA VAL 28 -11.148 8.322 3.899
255 HB VAL 28 HB VAL 28 -8.537 8.170 5.439
256 HG11 VAL 28 HG11 VAL 28 -7.711 9.154 3.547
257 HG12 VAL 28 HG12 VAL 28 -8.498 10.589 4.204
258 HG13 VAL 28 HG13 VAL 28 -9.311 9.624 2.972
259 HG21 VAL 28 HG21 VAL 28 -9.441 9.721 6.827
260 HG22 VAL 28 HG22 VAL 28 -10.994 9.227 6.151
261 HG23 VAL 28 HG23 VAL 28 -10.147 10.625 5.489
262 H GLY 29 H GLY 29 -8.827 5.711 4.453
263 HA2 GLY 29 HA2 GLY 29 -8.310 5.627 1.508
264 HA3 GLY 29 HA3 GLY 29 -7.194 5.009 2.728
265 HA PRO 30 HA PRO 30 -10.438 1.803 1.123
266 HB2 PRO 30 HB2 PRO 30 -8.571 0.300 -0.316
267 HB3 PRO 30 HB3 PRO 30 -9.753 1.423 -1.009
268 HG2 PRO 30 HG2 PRO 30 -6.866 1.792 -0.502
269 HG3 PRO 30 HG3 PRO 30 -7.899 2.494 -1.757
270 HD2 PRO 30 HD2 PRO 30 -7.026 3.906 0.421
271 HD3 PRO 30 HD3 PRO 30 -8.547 4.264 -0.425
272 H ASN 31 H ASN 31 -10.514 -0.390 1.893
273 HA ASN 31 HA ASN 31 -9.202 -0.914 4.335
274 HB2 ASN 31 HB2 ASN 31 -11.273 -2.070 3.397
275 HB3 ASN 31 HB3 ASN 31 -10.173 -3.071 2.448
276 HD21 ASN 31 HD21 ASN 31 -11.594 -4.566 4.167
277 HD22 ASN 31 HD22 ASN 31 -10.711 -4.974 5.558
278 H LEU 32 H LEU 32 -8.069 -1.310 1.094
279 HA LEU 32 HA LEU 32 -5.987 -1.968 0.271
280 HB2 LEU 32 HB2 LEU 32 -5.202 -0.707 2.381
281 HB3 LEU 32 HB3 LEU 32 -5.059 -2.289 3.135
282 HG LEU 32 HG LEU 32 -3.493 -3.009 1.369
283 HD11 LEU 32 HD11 LEU 32 -2.633 -0.801 0.064
284 HD12 LEU 32 HD12 LEU 32 -4.339 -0.392 0.243
285 HD13 LEU 32 HD13 LEU 32 -3.869 -1.876 -0.587
286 HD21 LEU 32 HD21 LEU 32 -1.676 -1.265 1.872
287 HD22 LEU 32 HD22 LEU 32 -2.414 -2.056 3.268
288 HD23 LEU 32 HD23 LEU 32 -2.903 -0.421 2.817
289 H HIS 33 H HIS 33 -7.910 -3.874 0.354
290 HA HIS 33 HA HIS 33 -6.358 -6.318 1.087
291 HB2 HIS 33 HB2 HIS 33 -8.765 -5.481 2.272
292 HB3 HIS 33 HB3 HIS 33 -9.223 -6.759 1.147
293 HD1 HIS 33 HD1 HIS 33 -6.550 -6.169 3.814
294 HD2 HIS 33 HD2 HIS 33 -8.803 -9.278 2.187
295 HE1 HIS 33 HE1 HIS 33 -5.955 -8.250 5.131
296 HE2 HIS 33 HE2 HIS 33 -7.333 -10.147 4.159
297 H GLY 34 H GLY 34 -7.706 -4.526 -1.364
298 HA2 GLY 34 HA2 GLY 34 -7.791 -6.930 -3.114
299 HA3 GLY 34 HA3 GLY 34 -9.166 -5.828 -3.138
300 H ILE 35 H ILE 35 -6.221 -4.188 -2.599
301 HA ILE 35 HA ILE 35 -6.405 -2.659 -4.981
302 HB ILE 35 HB ILE 35 -4.090 -3.186 -3.098
303 HG12 ILE 35 HG12 ILE 35 -6.171 -1.049 -3.467
304 HG13 ILE 35 HG13 ILE 35 -5.638 -1.840 -1.988
305 HG21 ILE 35 HG21 ILE 35 -3.272 -2.596 -5.448
306 HG22 ILE 35 HG22 ILE 35 -2.791 -1.479 -4.186
307 HG23 ILE 35 HG23 ILE 35 -4.123 -1.065 -5.265
308 HD11 ILE 35 HD11 ILE 35 -4.693 0.325 -1.861
309 HD12 ILE 35 HD12 ILE 35 -4.260 0.325 -3.568
310 HD13 ILE 35 HD13 ILE 35 -3.363 -0.684 -2.435
311 H PHE 36 H PHE 36 -4.990 -5.789 -4.405
312 HA PHE 36 HA PHE 36 -3.637 -5.710 -7.044
313 HB2 PHE 36 HB2 PHE 36 -3.722 -7.892 -4.938
314 HB3 PHE 36 HB3 PHE 36 -2.719 -7.901 -6.389
315 HD1 PHE 36 HD2 PHE 36 -0.887 -6.245 -6.668
316 HD2 PHE 36 HD1 PHE 36 -3.170 -6.510 -3.039
317 HE1 PHE 36 HE2 PHE 36 0.828 -4.895 -5.490
318 HE2 PHE 36 HE1 PHE 36 -1.456 -5.160 -1.862
319 HZ PHE 36 HZ PHE 36 0.541 -4.350 -3.088
320 H GLY 37 H GLY 37 -4.616 -6.500 -8.823
321 HA2 GLY 37 HA2 GLY 37 -6.178 -8.842 -9.014
322 HA3 GLY 37 HA3 GLY 37 -7.302 -7.500 -8.783
323 H ARG 38 H ARG 38 -7.555 -5.967 -10.464
324 HA ARG 38 HA ARG 38 -5.888 -6.353 -12.893
325 HB2 ARG 38 HB2 ARG 38 -7.839 -6.414 -14.344
326 HB3 ARG 38 HB3 ARG 38 -7.955 -7.717 -13.162
327 HG2 ARG 38 HG2 ARG 38 -9.426 -6.292 -11.759
328 HG3 ARG 38 HG3 ARG 38 -9.352 -5.030 -12.991
329 HD2 ARG 38 HD2 ARG 38 -10.956 -6.040 -14.185
330 HD3 ARG 38 HD3 ARG 38 -10.021 -7.533 -14.236
331 HE ARG 38 HE ARG 38 -11.198 -7.396 -11.671
332 HH11 ARG 38 HH21 ARG 38 -12.096 -7.563 -14.995
333 HH12 ARG 38 HH22 ARG 38 -13.574 -8.414 -14.690
334 HH21 ARG 38 HH11 ARG 38 -13.122 -8.505 -11.253
335 HH22 ARG 38 HH12 ARG 38 -14.155 -8.947 -12.571
336 H HIS 39 H HIS 39 -5.678 -4.459 -14.141
337 HA HIS 39 HA HIS 39 -5.482 -2.132 -14.400
338 HB2 HIS 39 HB2 HIS 39 -8.282 -1.746 -13.467
339 HB3 HIS 39 HB3 HIS 39 -7.492 -1.153 -14.927
340 HD1 HIS 39 HD1 HIS 39 -10.281 -2.823 -14.674
341 HD2 HIS 39 HD2 HIS 39 -6.598 -4.247 -16.006
342 HE1 HIS 39 HE1 HIS 39 -10.776 -4.842 -16.125
343 HE2 HIS 39 HE2 HIS 39 -8.538 -5.718 -16.940
344 H SER 40 H SER 40 -5.947 0.049 -13.270
345 HA SER 40 HA SER 40 -4.994 -0.168 -10.534
346 HB2 SER 40 HB2 SER 40 -5.831 2.490 -11.118
347 HB3 SER 40 HB3 SER 40 -4.186 1.865 -11.048
348 HG SER 40 HG SER 40 -5.955 1.975 -13.258
349 H GLY 41 H GLY 41 -6.132 0.843 -8.686
350 HA2 GLY 41 HA2 GLY 41 -8.029 1.206 -7.355
351 HA3 GLY 41 HA3 GLY 41 -8.881 1.654 -8.835
352 H GLN 42 H GLN 42 -9.063 -0.457 -6.352
353 HA GLN 42 HA GLN 42 -10.550 -2.429 -8.019
354 HB2 GLN 42 HB2 GLN 42 -8.423 -3.063 -5.963
355 HB3 GLN 42 HB3 GLN 42 -9.592 -4.255 -6.534
356 HG2 GLN 42 HG2 GLN 42 -7.687 -4.564 -7.918
357 HG3 GLN 42 HG3 GLN 42 -8.814 -3.631 -8.904
358 HE21 GLN 42 HE21 GLN 42 -7.637 -2.089 -10.040
359 HE22 GLN 42 HE22 GLN 42 -6.390 -1.139 -9.388
360 H ALA 43 H ALA 43 -9.784 -1.309 -4.724
361 HA ALA 43 HA ALA 43 -11.671 -2.499 -3.148
362 HB1 ALA 43 HB1 ALA 43 -11.114 0.485 -3.236
363 HB2 ALA 43 HB2 ALA 43 -10.196 -0.714 -2.324
364 HB3 ALA 43 HB3 ALA 43 -11.869 -0.372 -1.891
365 H GLU 44 H GLU 44 -13.662 -3.090 -3.997
366 HA GLU 44 HA GLU 44 -15.255 -1.395 -5.685
367 HB2 GLU 44 HB2 GLU 44 -16.041 -3.754 -3.948
368 HB3 GLU 44 HB3 GLU 44 -17.088 -3.007 -5.155
369 HG2 GLU 44 HG2 GLU 44 -15.391 -3.499 -6.903
370 HG3 GLU 44 HG3 GLU 44 -14.399 -4.306 -5.688
371 H GLY 45 H GLY 45 -15.238 -1.987 -2.178
372 HA2 GLY 45 HA2 GLY 45 -17.558 -0.377 -1.610
373 HA3 GLY 45 HA3 GLY 45 -16.323 -0.837 -0.438
374 H TYR 46 H TYR 46 -14.078 0.317 -1.701
375 HA TYR 46 HA TYR 46 -14.706 3.220 -1.365
376 HB2 TYR 46 HB2 TYR 46 -13.144 2.553 0.296
377 HB3 TYR 46 HB3 TYR 46 -12.212 1.593 -0.847
378 HD1 TYR 46 HD1 TYR 46 -10.859 2.712 -2.613
379 HD2 TYR 46 HD2 TYR 46 -12.816 4.916 0.503
380 HE1 TYR 46 HE1 TYR 46 -9.434 4.678 -3.115
381 HE2 TYR 46 HE2 TYR 46 -11.396 6.888 0.006
382 HH TYR 46 HH TYR 46 -10.094 7.699 -2.218
383 H SER 47 H SER 47 -14.559 4.444 -3.183
384 HA SER 47 HA SER 47 -13.394 3.250 -5.610
385 HB2 SER 47 HB2 SER 47 -14.400 5.086 -6.786
386 HB3 SER 47 HB3 SER 47 -15.572 4.554 -5.584
387 HG SER 47 HG SER 47 -15.185 6.873 -5.686
388 H TYR 48 H TYR 48 -11.768 4.385 -6.871
389 HA TYR 48 HA TYR 48 -9.866 5.897 -5.139
390 HB2 TYR 48 HB2 TYR 48 -9.378 4.564 -7.821
391 HB3 TYR 48 HB3 TYR 48 -8.153 5.259 -6.759
392 HD1 TYR 48 HD1 TYR 48 -10.764 2.620 -6.971
393 HD2 TYR 48 HD2 TYR 48 -7.225 4.001 -4.977
394 HE1 TYR 48 HE1 TYR 48 -10.605 0.467 -5.763
395 HE2 TYR 48 HE2 TYR 48 -7.060 1.841 -3.770
396 HH TYR 48 HH TYR 48 -7.869 -0.566 -4.196
397 H THR 49 H THR 49 -8.675 7.695 -6.255
398 HA THR 49 HA THR 49 -10.462 9.586 -7.410
399 HB THR 49 HB THR 49 -7.444 9.503 -7.685
400 HG1 THR 49 HG1 THR 49 -7.992 9.401 -5.532
401 HG21 THR 49 HG21 THR 49 -9.516 11.689 -7.930
402 HG22 THR 49 HG22 THR 49 -8.347 11.165 -9.142
403 HG23 THR 49 HG23 THR 49 -7.799 12.025 -7.704
404 H ASP 50 H ASP 50 -10.830 10.159 -9.579
405 HA ASP 50 HA ASP 50 -10.867 8.183 -11.544
406 HB2 ASP 50 HB2 ASP 50 -10.608 11.186 -11.866
407 HB3 ASP 50 HB3 ASP 50 -10.952 10.085 -13.202
408 H ALA 51 H ALA 51 -8.227 10.375 -10.706
409 HA ALA 51 HA ALA 51 -6.531 10.027 -12.905
410 HB1 ALA 51 HB1 ALA 51 -4.737 9.963 -10.855
411 HB2 ALA 51 HB2 ALA 51 -6.155 10.606 -10.026
412 HB3 ALA 51 HB3 ALA 51 -5.504 11.441 -11.436
413 H ASN 52 H ASN 52 -6.723 7.935 -10.007
414 HA ASN 52 HA ASN 52 -4.822 6.009 -10.894
415 HB2 ASN 52 HB2 ASN 52 -5.761 6.172 -8.575
416 HB3 ASN 52 HB3 ASN 52 -7.270 5.487 -9.185
417 HD21 ASN 52 HD21 ASN 52 -7.273 3.366 -8.380
418 HD22 ASN 52 HD22 ASN 52 -5.996 2.265 -8.571
419 H ILE 53 H ILE 53 -8.331 6.213 -11.411
420 HA ILE 53 HA ILE 53 -8.544 3.702 -12.804
421 HB ILE 53 HB ILE 53 -10.322 6.152 -12.956
422 HG12 ILE 53 HG12 ILE 53 -10.577 3.644 -11.266
423 HG13 ILE 53 HG13 ILE 53 -9.971 5.186 -10.662
424 HG21 ILE 53 HG21 ILE 53 -11.884 3.925 -13.354
425 HG22 ILE 53 HG22 ILE 53 -10.399 3.478 -14.192
426 HG23 ILE 53 HG23 ILE 53 -11.259 4.951 -14.643
427 HD11 ILE 53 HD11 ILE 53 -12.092 6.274 -11.229
428 HD12 ILE 53 HD12 ILE 53 -12.391 4.889 -10.179
429 HD13 ILE 53 HD13 ILE 53 -12.702 4.766 -11.911
430 H LYS 54 H LYS 54 -8.137 7.063 -13.974
431 HA LYS 54 HA LYS 54 -8.400 6.509 -16.736
432 HB2 LYS 54 HB2 LYS 54 -6.733 8.583 -15.297
433 HB3 LYS 54 HB3 LYS 54 -6.976 8.562 -17.041
434 HG2 LYS 54 HG2 LYS 54 -9.438 8.657 -16.671
435 HG3 LYS 54 HG3 LYS 54 -9.145 8.790 -14.938
436 HD2 LYS 54 HD2 LYS 54 -7.792 10.846 -15.362
437 HD3 LYS 54 HD3 LYS 54 -8.225 10.738 -17.069
438 HE2 LYS 54 HE2 LYS 54 -10.193 11.749 -16.668
439 HE3 LYS 54 HE3 LYS 54 -10.610 10.517 -15.477
440 HZ1 LYS 54 HZ1 LYS 54 -8.851 12.838 -14.913
441 HZ2 LYS 54 HZ2 LYS 54 -9.468 11.722 -13.791
442 HZ3 LYS 54 HZ3 LYS 54 -10.513 12.808 -14.575
443 H LYS 55 H LYS 55 -5.536 6.280 -14.644
444 HA LYS 55 HA LYS 55 -3.651 5.762 -16.724
445 HB2 LYS 55 HB2 LYS 55 -3.643 4.740 -13.867
446 HB3 LYS 55 HB3 LYS 55 -2.253 4.764 -14.950
447 HG2 LYS 55 HG2 LYS 55 -3.798 7.243 -14.145
448 HG3 LYS 55 HG3 LYS 55 -2.329 6.700 -13.337
449 HD2 LYS 55 HD2 LYS 55 -1.261 6.718 -15.696
450 HD3 LYS 55 HD3 LYS 55 -2.656 7.689 -16.169
451 HE2 LYS 55 HE2 LYS 55 -1.831 8.880 -13.803
452 HE3 LYS 55 HE3 LYS 55 -0.314 8.460 -14.601
453 HZ1 LYS 55 HZ1 LYS 55 -2.382 10.339 -15.411
454 HZ2 LYS 55 HZ2 LYS 55 -1.665 9.431 -16.655
455 HZ3 LYS 55 HZ3 LYS 55 -0.704 10.403 -15.647
456 H ASN 56 H ASN 56 -5.929 3.653 -15.047
457 HA ASN 56 HA ASN 56 -6.466 1.395 -15.421
458 HB2 ASN 56 HB2 ASN 56 -6.693 2.591 -17.793
459 HB3 ASN 56 HB3 ASN 56 -5.310 1.568 -18.178
460 HD21 ASN 56 HD21 ASN 56 -5.990 -0.736 -16.576
461 HD22 ASN 56 HD22 ASN 56 -7.401 -1.425 -17.223
462 H VAL 57 H VAL 57 -4.041 1.819 -14.162
463 HA VAL 57 HA VAL 57 -2.143 -0.043 -15.490
464 HB VAL 57 HB VAL 57 -1.187 2.112 -14.823
465 HG11 VAL 57 HG11 VAL 57 -2.823 2.606 -13.021
466 HG12 VAL 57 HG12 VAL 57 -1.162 2.780 -12.455
467 HG13 VAL 57 HG13 VAL 57 -2.093 1.343 -12.029
468 HG21 VAL 57 HG21 VAL 57 0.718 1.075 -14.176
469 HG22 VAL 57 HG22 VAL 57 -0.225 -0.414 -14.115
470 HG23 VAL 57 HG23 VAL 57 -0.008 0.553 -12.656
471 H LEU 58 H LEU 58 -1.465 -1.912 -14.412
472 HA LEU 58 HA LEU 58 -3.307 -2.880 -12.345
473 HB2 LEU 58 HB2 LEU 58 -2.640 -4.396 -14.151
474 HB3 LEU 58 HB3 LEU 58 -0.945 -4.204 -13.710
475 HG LEU 58 HG LEU 58 -1.380 -5.201 -11.509
476 HD11 LEU 58 HD11 LEU 58 -4.192 -4.949 -12.466
477 HD12 LEU 58 HD12 LEU 58 -3.534 -4.727 -10.846
478 HD13 LEU 58 HD13 LEU 58 -3.796 -6.353 -11.477
479 HD21 LEU 58 HD21 LEU 58 -2.268 -6.690 -13.975
480 HD22 LEU 58 HD22 LEU 58 -2.264 -7.487 -12.401
481 HD23 LEU 58 HD23 LEU 58 -0.762 -6.850 -13.070
482 H TRP 59 H TRP 59 -2.850 -2.980 -10.203
483 HA TRP 59 HA TRP 59 -0.359 -1.783 -9.246
484 HB2 TRP 59 HB2 TRP 59 -2.847 -2.866 -7.932
485 HB3 TRP 59 HB3 TRP 59 -1.427 -2.471 -6.971
486 HD1 TRP 59 HD1 TRP 59 -4.390 -0.941 -8.534
487 HE1 TRP 59 HE1 TRP 59 -4.261 1.642 -8.383
488 HE3 TRP 59 HE3 TRP 59 0.469 -0.402 -7.104
489 HZ2 TRP 59 HZ2 TRP 59 -2.332 3.652 -7.730
490 HZ3 TRP 59 HZ3 TRP 59 1.432 1.847 -6.724
491 HH2 TRP 59 HH2 TRP 59 0.038 3.873 -7.034
492 H ASP 60 H ASP 60 1.397 -2.883 -8.445
493 HA ASP 60 HA ASP 60 1.160 -5.747 -7.784
494 HB2 ASP 60 HB2 ASP 60 1.590 -5.649 -10.255
495 HB3 ASP 60 HB3 ASP 60 3.109 -4.825 -9.914
496 H GLU 61 H GLU 61 3.552 -6.524 -7.258
497 HA GLU 61 HA GLU 61 4.444 -4.955 -5.049
498 HB2 GLU 61 HB2 GLU 61 5.895 -7.107 -6.617
499 HB3 GLU 61 HB3 GLU 61 6.432 -6.463 -5.065
500 HG2 GLU 61 HG2 GLU 61 4.279 -7.170 -4.049
501 HG3 GLU 61 HG3 GLU 61 3.802 -7.875 -5.595
502 H ASN 62 H ASN 62 5.602 -5.161 -8.399
503 HA ASN 62 HA ASN 62 7.920 -3.516 -8.031
504 HB2 ASN 62 HB2 ASN 62 6.195 -3.959 -10.484
505 HB3 ASN 62 HB3 ASN 62 7.766 -3.161 -10.498
506 HD21 ASN 62 HD21 ASN 62 9.267 -4.769 -8.771
507 HD22 ASN 62 HD22 ASN 62 9.368 -6.345 -9.391
508 H ASN 63 H ASN 63 4.588 -2.746 -8.992
509 HA ASN 63 HA ASN 63 5.009 0.061 -9.357
510 HB2 ASN 63 HB2 ASN 63 2.491 -1.414 -8.527
511 HB3 ASN 63 HB3 ASN 63 2.553 0.240 -9.133
512 HD21 ASN 63 HD21 ASN 63 1.344 -2.334 -10.323
513 HD22 ASN 63 HD22 ASN 63 1.992 -2.402 -11.890
514 H MET 64 H MET 64 4.114 -1.870 -6.517
515 HA MET 64 HA MET 64 3.556 0.317 -4.776
516 HB2 MET 64 HB2 MET 64 4.544 -2.490 -4.226
517 HB3 MET 64 HB3 MET 64 4.108 -1.354 -2.948
518 HG2 MET 64 HG2 MET 64 2.257 -2.174 -5.204
519 HG3 MET 64 HG3 MET 64 2.226 -2.880 -3.588
520 HE1 MET 64 HE1 MET 64 -0.772 -0.404 -4.507
521 HE2 MET 64 HE2 MET 64 -0.670 -1.761 -3.387
522 HE3 MET 64 HE3 MET 64 0.002 -1.915 -5.007
523 H SER 65 H SER 65 6.619 -1.296 -5.598
524 HA SER 65 HA SER 65 8.211 -0.031 -3.596
525 HB2 SER 65 HB2 SER 65 10.115 -0.600 -4.982
526 HB3 SER 65 HB3 SER 65 8.953 -1.920 -5.095
527 HG SER 65 HG SER 65 9.943 -0.394 -7.040
528 H GLU 66 H GLU 66 7.269 0.988 -6.856
529 HA GLU 66 HA GLU 66 8.774 3.468 -6.754
530 HB2 GLU 66 HB2 GLU 66 8.083 2.352 -8.886
531 HB3 GLU 66 HB3 GLU 66 6.408 2.758 -8.511
532 HG2 GLU 66 HG2 GLU 66 7.254 4.474 -9.981
533 HG3 GLU 66 HG3 GLU 66 7.114 5.178 -8.370
534 H TYR 67 H TYR 67 5.557 2.434 -5.832
535 HA TYR 67 HA TYR 67 4.260 4.931 -5.658
536 HB2 TYR 67 HB2 TYR 67 3.032 2.858 -5.384
537 HB3 TYR 67 HB3 TYR 67 3.964 2.447 -3.948
538 HD1 TYR 67 HD1 TYR 67 2.210 5.578 -5.088
539 HD2 TYR 67 HD2 TYR 67 2.650 2.588 -2.042
540 HE1 TYR 67 HE1 TYR 67 0.593 6.794 -3.671
541 HE2 TYR 67 HE2 TYR 67 1.022 3.800 -0.620
542 HH TYR 67 HH TYR 67 -0.333 5.545 -0.456
543 H LEU 68 H LEU 68 6.268 3.286 -3.196
544 HA LEU 68 HA LEU 68 5.949 5.443 -1.282
545 HB2 LEU 68 HB2 LEU 68 7.708 3.015 -1.481
546 HB3 LEU 68 HB3 LEU 68 8.030 4.242 -0.256
547 HG LEU 68 HG LEU 68 5.816 3.997 0.670
548 HD11 LEU 68 HD11 LEU 68 4.505 3.685 -1.320
549 HD12 LEU 68 HD12 LEU 68 4.267 2.256 -0.314
550 HD13 LEU 68 HD13 LEU 68 5.348 2.185 -1.707
551 HD21 LEU 68 HD21 LEU 68 7.201 1.371 0.090
552 HD22 LEU 68 HD22 LEU 68 5.830 1.497 1.192
553 HD23 LEU 68 HD23 LEU 68 7.328 2.361 1.543
554 H THR 69 H THR 69 8.474 4.551 -3.617
555 HA THR 69 HA THR 69 10.278 6.658 -2.811
556 HB THR 69 HB THR 69 11.508 6.126 -4.840
557 HG1 THR 69 HG1 THR 69 10.247 5.776 -6.481
558 HG21 THR 69 HG21 THR 69 10.635 4.181 -2.920
559 HG22 THR 69 HG22 THR 69 12.181 4.273 -3.765
560 HG23 THR 69 HG23 THR 69 10.834 3.389 -4.484
561 H ASN 70 H ASN 70 7.850 6.394 -5.411
562 HA ASN 70 HA ASN 70 7.703 9.350 -5.465
563 HB2 ASN 70 HB2 ASN 70 8.216 7.681 -7.946
564 HB3 ASN 70 HB3 ASN 70 7.901 9.416 -7.924
565 HD21 ASN 70 HD21 ASN 70 10.421 7.651 -8.574
566 HD22 ASN 70 HD22 ASN 70 11.657 8.431 -7.711
567 H HIS 71 H HIS 71 5.651 10.095 -6.145
568 HA HIS 71 HA HIS 71 3.717 8.459 -7.481
569 HB2 HIS 71 HB2 HIS 71 2.191 8.037 -5.579
570 HB3 HIS 71 HB3 HIS 71 3.734 7.213 -5.358
571 HD1 HIS 71 HD1 HIS 71 5.489 9.467 -4.307
572 HD2 HIS 71 HD2 HIS 71 1.576 8.855 -2.997
573 HE1 HIS 71 HE1 HIS 71 5.314 10.566 -2.031
574 HE2 HIS 71 HE2 HIS 71 2.937 10.202 -1.226
575 H ALA 72 H ALA 72 4.179 10.885 -8.237
576 HA ALA 72 HA ALA 72 2.163 12.645 -6.890
577 HB1 ALA 72 HB1 ALA 72 3.473 14.521 -8.013
578 HB2 ALA 72 HB2 ALA 72 4.701 13.314 -8.395
579 HB3 ALA 72 HB3 ALA 72 4.315 13.677 -6.713
580 H LYS 73 H LYS 73 3.566 13.418 -9.986
581 HA LYS 73 HA LYS 73 1.034 13.801 -11.236
582 HB2 LYS 73 HB2 LYS 73 3.761 13.339 -12.477
583 HB3 LYS 73 HB3 LYS 73 2.347 13.933 -13.348
584 HG2 LYS 73 HG2 LYS 73 2.222 15.857 -11.767
585 HG3 LYS 73 HG3 LYS 73 3.703 15.285 -10.997
586 HD2 LYS 73 HD2 LYS 73 4.859 15.450 -13.212
587 HD3 LYS 73 HD3 LYS 73 3.391 16.161 -13.883
588 HE2 LYS 73 HE2 LYS 73 3.870 18.181 -13.004
589 HE3 LYS 73 HE3 LYS 73 4.175 17.485 -11.413
590 HZ1 LYS 73 HZ1 LYS 73 6.187 16.992 -13.458
591 HZ2 LYS 73 HZ2 LYS 73 6.375 17.317 -11.801
592 HZ3 LYS 73 HZ3 LYS 73 6.072 18.586 -12.889
593 H TYR 74 H TYR 74 3.208 11.020 -11.184
594 HA TYR 74 HA TYR 74 2.022 9.493 -13.248
595 HB2 TYR 74 HB2 TYR 74 4.068 8.697 -12.431
596 HB3 TYR 74 HB3 TYR 74 3.551 8.811 -10.751
597 HD1 TYR 74 HD1 TYR 74 1.557 7.310 -13.520
598 HD2 TYR 74 HD2 TYR 74 3.983 6.595 -10.055
599 HE1 TYR 74 HE1 TYR 74 0.893 4.922 -13.551
600 HE2 TYR 74 HE2 TYR 74 3.323 4.207 -10.079
601 HH TYR 74 HH TYR 74 2.229 2.630 -12.496
602 H ILE 75 H ILE 75 1.221 9.544 -9.766
603 HA ILE 75 HA ILE 75 -1.346 8.153 -10.448
604 HB ILE 75 HB ILE 75 -0.789 7.935 -7.650
605 HG12 ILE 75 HG12 ILE 75 1.550 7.276 -9.440
606 HG13 ILE 75 HG13 ILE 75 1.533 8.399 -8.083
607 HG21 ILE 75 HG21 ILE 75 -1.946 6.315 -9.379
608 HG22 ILE 75 HG22 ILE 75 -1.041 5.624 -8.037
609 HG23 ILE 75 HG23 ILE 75 -0.308 5.717 -9.635
610 HD11 ILE 75 HD11 ILE 75 0.795 6.339 -6.687
611 HD12 ILE 75 HD12 ILE 75 2.490 6.449 -7.173
612 HD13 ILE 75 HD13 ILE 75 1.387 5.393 -8.053
613 HA PRO 76 HA PRO 76 -3.891 11.351 -8.778
614 HB2 PRO 76 HB2 PRO 76 -4.305 9.862 -6.216
615 HB3 PRO 76 HB3 PRO 76 -5.500 10.607 -7.294
616 HG2 PRO 76 HG2 PRO 76 -5.103 7.965 -7.244
617 HG3 PRO 76 HG3 PRO 76 -5.505 8.827 -8.741
618 HD2 PRO 76 HD2 PRO 76 -2.932 7.638 -7.893
619 HD3 PRO 76 HD3 PRO 76 -3.539 7.938 -9.534
620 H GLY 77 H GLY 77 -3.632 13.230 -7.520
621 HA2 GLY 77 HA2 GLY 77 -1.093 13.749 -6.368
622 HA3 GLY 77 HA3 GLY 77 -2.525 14.748 -6.115
623 H THR 78 H THR 78 -3.358 11.691 -5.186
624 HA THR 78 HA THR 78 -3.815 12.168 -2.509
625 HB THR 78 HB THR 78 -4.506 10.101 -3.675
626 HG1 THR 78 HG1 THR 78 -4.022 10.314 -1.269
627 HG21 THR 78 HG21 THR 78 -2.022 8.646 -3.236
628 HG22 THR 78 HG22 THR 78 -1.805 9.976 -4.373
629 HG23 THR 78 HG23 THR 78 -3.021 8.739 -4.686
630 H LYS 79 H LYS 79 -2.072 13.471 -1.661
631 HA LYS 79 HA LYS 79 0.663 12.645 -1.597
632 HB2 LYS 79 HB2 LYS 79 -0.902 14.403 0.318
633 HB3 LYS 79 HB3 LYS 79 0.856 14.246 0.315
634 HG2 LYS 79 HG2 LYS 79 0.876 14.999 -2.070
635 HG3 LYS 79 HG3 LYS 79 -0.864 15.269 -1.964
636 HD2 LYS 79 HD2 LYS 79 -0.468 16.849 -0.075
637 HD3 LYS 79 HD3 LYS 79 1.268 16.635 -0.295
638 HE2 LYS 79 HE2 LYS 79 0.571 17.231 -2.835
639 HE3 LYS 79 HE3 LYS 79 -0.683 18.120 -1.974
640 HZ1 LYS 79 HZ1 LYS 79 1.199 19.011 -0.560
641 HZ2 LYS 79 HZ2 LYS 79 1.104 19.593 -2.154
642 HZ3 LYS 79 HZ3 LYS 79 2.252 18.408 -1.746
643 H MET 80 H MET 80 -2.113 11.802 0.357
644 HA MET 80 HA MET 80 -2.390 10.203 2.032
645 HB2 MET 80 HB2 MET 80 -1.137 8.806 0.311
646 HB3 MET 80 HB3 MET 80 0.335 9.160 1.213
647 HG2 MET 80 HG2 MET 80 -0.359 7.947 3.085
648 HG3 MET 80 HG3 MET 80 -2.065 8.066 2.658
649 HE1 MET 80 HE1 MET 80 1.299 6.986 1.831
650 HE2 MET 80 HE2 MET 80 1.216 5.538 0.834
651 HE3 MET 80 HE3 MET 80 0.935 5.419 2.568
652 H ALA 81 H ALA 81 -2.075 10.307 4.210
653 HA ALA 81 HA ALA 81 -0.347 12.280 5.323
654 HB1 ALA 81 HB1 ALA 81 -1.588 9.920 6.764
655 HB2 ALA 81 HB2 ALA 81 -2.446 11.414 6.386
656 HB3 ALA 81 HB3 ALA 81 -1.066 11.443 7.483
657 H PHE 82 H PHE 82 0.187 8.888 4.628
658 HA PHE 82 HA PHE 82 2.505 8.667 6.392
659 HB2 PHE 82 HB2 PHE 82 0.998 6.754 5.531
660 HB3 PHE 82 HB3 PHE 82 1.901 6.891 4.025
661 HD1 PHE 82 HD1 PHE 82 2.405 6.520 7.714
662 HD2 PHE 82 HD2 PHE 82 3.939 5.749 3.777
663 HE1 PHE 82 HE1 PHE 82 4.217 5.139 8.692
664 HE2 PHE 82 HE2 PHE 82 5.754 4.366 4.756
665 HZ PHE 82 HZ PHE 82 5.889 4.063 7.216
666 H GLY 83 H GLY 83 4.524 9.393 5.914
667 HA2 GLY 83 HA2 GLY 83 5.027 10.469 3.204
668 HA3 GLY 83 HA3 GLY 83 6.026 10.755 4.630
669 H GLY 84 H GLY 84 5.050 7.495 3.993
670 HA2 GLY 84 HA2 GLY 84 6.240 5.733 2.897
671 HA3 GLY 84 HA3 GLY 84 7.530 6.876 2.517
672 H LEU 85 H LEU 85 8.765 4.861 3.367
673 HA LEU 85 HA LEU 85 8.918 4.917 6.343
674 HB2 LEU 85 HB2 LEU 85 9.478 2.852 4.260
675 HB3 LEU 85 HB3 LEU 85 10.388 2.788 5.767
676 HG LEU 85 HG LEU 85 7.410 3.128 5.853
677 HD11 LEU 85 HD11 LEU 85 8.933 0.684 5.076
678 HD12 LEU 85 HD12 LEU 85 7.324 1.211 4.583
679 HD13 LEU 85 HD13 LEU 85 7.566 0.489 6.173
680 HD21 LEU 85 HD21 LEU 85 8.604 3.349 7.948
681 HD22 LEU 85 HD22 LEU 85 9.514 1.870 7.639
682 HD23 LEU 85 HD23 LEU 85 7.782 1.791 7.964
683 H LYS 86 H LYS 86 10.732 5.680 7.318
684 HA LYS 86 HA LYS 86 12.751 7.068 5.845
685 HB2 LYS 86 HB2 LYS 86 12.813 5.958 8.674
686 HB3 LYS 86 HB3 LYS 86 13.983 7.104 8.014
687 HG2 LYS 86 HG2 LYS 86 12.115 8.691 7.551
688 HG3 LYS 86 HG3 LYS 86 11.002 7.563 8.327
689 HD2 LYS 86 HD2 LYS 86 12.385 7.702 10.407
690 HD3 LYS 86 HD3 LYS 86 13.371 8.938 9.625
691 HE2 LYS 86 HE2 LYS 86 10.391 9.284 9.706
692 HE3 LYS 86 HE3 LYS 86 11.340 9.652 11.145
693 HZ1 LYS 86 HZ1 LYS 86 11.524 11.640 10.134
694 HZ2 LYS 86 HZ2 LYS 86 11.254 11.013 8.579
695 HZ3 LYS 86 HZ3 LYS 86 12.788 10.879 9.298
696 H LYS 87 H LYS 87 12.508 3.774 7.091
697 HA LYS 87 HA LYS 87 15.185 3.162 5.923
698 HB2 LYS 87 HB2 LYS 87 13.473 1.615 7.891
699 HB3 LYS 87 HB3 LYS 87 15.017 1.053 7.253
700 HG2 LYS 87 HG2 LYS 87 16.095 3.119 8.155
701 HG3 LYS 87 HG3 LYS 87 14.553 3.563 8.888
702 HD2 LYS 87 HD2 LYS 87 14.571 1.399 10.137
703 HD3 LYS 87 HD3 LYS 87 16.172 1.067 9.476
704 HE2 LYS 87 HE2 LYS 87 17.012 3.166 10.503
705 HE3 LYS 87 HE3 LYS 87 15.419 3.439 11.209
706 HZ1 LYS 87 HZ1 LYS 87 15.978 0.901 11.942
707 HZ2 LYS 87 HZ2 LYS 87 16.206 2.272 12.920
708 HZ3 LYS 87 HZ3 LYS 87 17.504 1.636 12.028
709 H GLU 88 H GLU 88 15.173 2.196 3.986
710 HA GLU 88 HA GLU 88 12.798 1.371 2.628
711 HB2 GLU 88 HB2 GLU 88 14.913 2.092 1.503
712 HB3 GLU 88 HB3 GLU 88 15.656 0.573 2.006
713 HG2 GLU 88 HG2 GLU 88 13.858 -0.663 0.797
714 HG3 GLU 88 HG3 GLU 88 13.223 0.878 0.222
715 H LYS 89 H LYS 89 15.172 -0.427 4.550
716 HA LYS 89 HA LYS 89 14.492 -3.050 3.768
717 HB2 LYS 89 HB2 LYS 89 15.268 -1.999 6.505
718 HB3 LYS 89 HB3 LYS 89 15.241 -3.703 6.058
719 HG2 LYS 89 HG2 LYS 89 16.859 -3.210 4.221
720 HG3 LYS 89 HG3 LYS 89 16.947 -1.543 4.794
721 HD2 LYS 89 HD2 LYS 89 17.689 -2.388 7.023
722 HD3 LYS 89 HD3 LYS 89 17.705 -4.024 6.362
723 HE2 LYS 89 HE2 LYS 89 19.207 -2.864 4.490
724 HE3 LYS 89 HE3 LYS 89 19.544 -1.736 5.803
725 HZ1 LYS 89 HZ1 LYS 89 20.931 -3.210 6.660
726 HZ2 LYS 89 HZ2 LYS 89 20.588 -4.305 5.407
727 HZ3 LYS 89 HZ3 LYS 89 19.666 -4.327 6.835
728 H ASP 90 H ASP 90 12.922 -0.891 6.100
729 HA ASP 90 HA ASP 90 11.033 -2.757 7.123
730 HB2 ASP 90 HB2 ASP 90 10.847 0.245 6.731
731 HB3 ASP 90 HB3 ASP 90 9.680 -0.706 7.645
732 H ARG 91 H ARG 91 11.039 -0.733 4.220
733 HA ARG 91 HA ARG 91 8.333 -1.130 3.445
734 HB2 ARG 91 HB2 ARG 91 10.788 -0.776 1.700
735 HB3 ARG 91 HB3 ARG 91 9.120 -0.596 1.156
736 HG2 ARG 91 HG2 ARG 91 8.795 1.199 2.846
737 HG3 ARG 91 HG3 ARG 91 10.496 1.059 3.288
738 HD2 ARG 91 HD2 ARG 91 11.085 1.542 0.890
739 HD3 ARG 91 HD3 ARG 91 9.376 1.866 0.591
740 HE ARG 91 HE ARG 91 9.880 3.540 2.679
741 HH11 ARG 91 HH21 ARG 91 11.570 2.816 -0.237
742 HH12 ARG 91 HH22 ARG 91 12.262 4.397 -0.387
743 HH21 ARG 91 HH11 ARG 91 10.774 5.610 2.501
744 HH22 ARG 91 HH12 ARG 91 11.810 5.979 1.163
745 H ASN 92 H ASN 92 11.244 -3.070 2.763
746 HA ASN 92 HA ASN 92 10.095 -4.909 0.967
747 HB2 ASN 92 HB2 ASN 92 12.180 -5.381 3.116
748 HB3 ASN 92 HB3 ASN 92 11.827 -6.499 1.802
749 HD21 ASN 92 HD21 ASN 92 14.418 -5.321 2.059
750 HD22 ASN 92 HD22 ASN 92 14.658 -4.259 0.756
751 H ASP 93 H ASP 93 10.156 -4.988 4.526
752 HA ASP 93 HA ASP 93 8.651 -7.447 4.701
753 HB2 ASP 93 HB2 ASP 93 9.126 -5.228 6.708
754 HB3 ASP 93 HB3 ASP 93 8.353 -6.764 7.090
755 H LEU 94 H LEU 94 7.798 -4.019 4.651
756 HA LEU 94 HA LEU 94 5.049 -4.355 5.403
757 HB2 LEU 94 HB2 LEU 94 6.348 -2.189 5.390
758 HB3 LEU 94 HB3 LEU 94 6.193 -2.181 3.638
759 HG LEU 94 HG LEU 94 3.716 -2.282 3.882
760 HD11 LEU 94 HD11 LEU 94 3.146 -1.468 6.409
761 HD12 LEU 94 HD12 LEU 94 4.519 -2.529 6.726
762 HD13 LEU 94 HD13 LEU 94 3.093 -3.155 5.898
763 HD21 LEU 94 HD21 LEU 94 4.102 -0.060 3.614
764 HD22 LEU 94 HD22 LEU 94 5.454 -0.077 4.745
765 HD23 LEU 94 HD23 LEU 94 3.804 0.059 5.349
766 H ILE 95 H ILE 95 6.540 -3.947 2.167
767 HA ILE 95 HA ILE 95 4.146 -4.180 0.685
768 HB ILE 95 HB ILE 95 6.922 -5.129 -0.086
769 HG12 ILE 95 HG12 ILE 95 6.968 -2.772 0.521
770 HG13 ILE 95 HG13 ILE 95 7.032 -2.895 -1.233
771 HG21 ILE 95 HG21 ILE 95 5.149 -6.022 -1.534
772 HG22 ILE 95 HG22 ILE 95 6.111 -4.820 -2.391
773 HG23 ILE 95 HG23 ILE 95 4.518 -4.394 -1.770
774 HD11 ILE 95 HD11 ILE 95 4.408 -2.709 -1.045
775 HD12 ILE 95 HD12 ILE 95 5.402 -1.257 -0.954
776 HD13 ILE 95 HD13 ILE 95 4.774 -1.988 0.523
777 H THR 96 H THR 96 6.371 -6.717 1.812
778 HA THR 96 HA THR 96 5.070 -8.922 0.593
779 HB THR 96 HB THR 96 6.345 -8.919 3.344
780 HG1 THR 96 HG1 THR 96 8.217 -9.543 2.000
781 HG21 THR 96 HG21 THR 96 6.940 -11.255 2.673
782 HG22 THR 96 HG22 THR 96 5.970 -11.043 1.215
783 HG23 THR 96 HG23 THR 96 5.201 -10.994 2.802
784 H TYR 97 H TYR 97 4.428 -7.305 3.703
785 HA TYR 97 HA TYR 97 2.374 -9.077 4.585
786 HB2 TYR 97 HB2 TYR 97 3.439 -7.396 6.056
787 HB3 TYR 97 HB3 TYR 97 2.660 -6.108 5.135
788 HD1 TYR 97 HD1 TYR 97 2.078 -8.976 7.405
789 HD2 TYR 97 HD2 TYR 97 0.308 -5.635 5.367
790 HE1 TYR 97 HE1 TYR 97 0.021 -9.236 8.764
791 HE2 TYR 97 HE2 TYR 97 -1.749 -5.895 6.726
792 HH TYR 97 HH TYR 97 -2.107 -8.585 9.020
793 H LEU 98 H LEU 98 2.208 -6.108 2.607
794 HA LEU 98 HA LEU 98 -0.617 -5.953 2.444
795 HB2 LEU 98 HB2 LEU 98 1.447 -5.212 0.348
796 HB3 LEU 98 HB3 LEU 98 -0.230 -4.673 0.364
797 HG LEU 98 HG LEU 98 1.828 -4.106 2.516
798 HD11 LEU 98 HD11 LEU 98 1.610 -2.887 0.087
799 HD12 LEU 98 HD12 LEU 98 2.162 -2.066 1.547
800 HD13 LEU 98 HD13 LEU 98 0.479 -1.924 1.037
801 HD21 LEU 98 HD21 LEU 98 -0.167 -2.451 3.111
802 HD22 LEU 98 HD22 LEU 98 -0.169 -4.109 3.709
803 HD23 LEU 98 HD23 LEU 98 -1.132 -3.682 2.295
804 H LYS 99 H LYS 99 1.700 -7.895 0.604
805 HA LYS 99 HA LYS 99 -0.087 -8.845 -1.394
806 HB2 LYS 99 HB2 LYS 99 2.389 -9.273 -1.353
807 HB3 LYS 99 HB3 LYS 99 2.127 -10.417 -0.037
808 HG2 LYS 99 HG2 LYS 99 0.687 -11.784 -1.464
809 HG3 LYS 99 HG3 LYS 99 0.832 -10.611 -2.770
810 HD2 LYS 99 HD2 LYS 99 2.378 -12.430 -3.209
811 HD3 LYS 99 HD3 LYS 99 3.307 -10.998 -2.775
812 HE2 LYS 99 HE2 LYS 99 3.958 -13.244 -1.659
813 HE3 LYS 99 HE3 LYS 99 3.812 -11.826 -0.624
814 HZ1 LYS 99 HZ1 LYS 99 2.656 -13.992 0.073
815 HZ2 LYS 99 HZ2 LYS 99 1.493 -13.585 -1.096
816 HZ3 LYS 99 HZ3 LYS 99 1.794 -12.538 0.208
817 H LYS 100 H LYS 100 0.540 -9.927 1.922
818 HA LYS 100 HA LYS 100 -1.156 -12.228 1.866
819 HB2 LYS 100 HB2 LYS 100 0.518 -11.729 3.658
820 HB3 LYS 100 HB3 LYS 100 -0.543 -10.445 4.239
821 HG2 LYS 100 HG2 LYS 100 -2.330 -12.068 4.651
822 HG3 LYS 100 HG3 LYS 100 -1.328 -13.363 3.997
823 HD2 LYS 100 HD2 LYS 100 -1.175 -13.439 6.416
824 HD3 LYS 100 HD3 LYS 100 0.369 -12.874 5.780
825 HE2 LYS 100 HE2 LYS 100 0.062 -10.721 6.556
826 HE3 LYS 100 HE3 LYS 100 -1.696 -10.816 6.441
827 HZ1 LYS 100 HZ1 LYS 100 -0.129 -12.378 8.410
828 HZ2 LYS 100 HZ2 LYS 100 -1.807 -12.116 8.382
829 HZ3 LYS 100 HZ3 LYS 100 -0.751 -10.837 8.748
830 H ALA 101 H ALA 101 -1.816 -8.797 2.472
831 HA ALA 101 HA ALA 101 -4.446 -9.095 3.503
832 HB1 ALA 101 HB1 ALA 101 -2.772 -6.957 2.768
833 HB2 ALA 101 HB2 ALA 101 -4.350 -6.844 3.548
834 HB3 ALA 101 HB3 ALA 101 -4.227 -6.768 1.791
835 H THR 102 H THR 102 -3.249 -9.023 0.167
836 HA THR 102 HA THR 102 -5.902 -8.983 -1.005
837 HB THR 102 HB THR 102 -3.399 -8.536 -1.995
838 HG1 THR 102 HG1 THR 102 -5.810 -8.400 -2.812
839 HG21 THR 102 HG21 THR 102 -2.762 -10.279 -3.504
840 HG22 THR 102 HG22 THR 102 -4.245 -11.182 -3.197
841 HG23 THR 102 HG23 THR 102 -3.013 -11.052 -1.941
842 H GLU 103 H GLU 103 -3.678 -11.487 0.060
843 HA GLU 103 HA GLU 103 -3.868 -13.841 -0.022
844 HB2 GLU 103 HB2 GLU 103 -5.446 -13.119 1.791
845 HB3 GLU 103 HB3 GLU 103 -6.749 -13.134 0.602
846 HG2 GLU 103 HG2 GLU 103 -6.257 -15.532 0.137
847 HG3 GLU 103 HG3 GLU 103 -5.035 -15.501 1.409
848 HHA HEC 104 HA HEC 104 -4.078 4.379 -2.154
849 HHB HEC 104 HB HEC 104 0.384 1.380 1.112
850 HHC HEC 104 HC HEC 104 -1.146 4.739 6.279
851 HHD HEC 104 HD HEC 104 -5.579 7.770 2.965
852 HMA1 HEC 104 1HMA HEC 104 -0.532 0.027 -0.520
853 HMA2 HEC 104 2HMA HEC 104 0.519 0.885 -1.645
854 HMA3 HEC 104 3HMA HEC 104 -1.043 0.269 -2.191
855 HAA1 HEC 104 1HAA HEC 104 -1.454 2.006 -3.609
856 HAA2 HEC 104 2HAA HEC 104 -3.094 2.630 -3.524
857 HBA1 HEC 104 1HBA HEC 104 -0.567 4.046 -4.051
858 HBA2 HEC 104 2HBA HEC 104 -1.642 4.868 -2.921
859 HMB1 HEC 104 1HMB HEC 104 2.693 2.310 3.730
860 HMB2 HEC 104 2HMB HEC 104 2.010 0.725 4.097
861 HMB3 HEC 104 3HMB HEC 104 2.037 1.314 2.447
862 HAB HEC 104 HAB HEC 104 0.232 3.164 6.932
863 HBB1 HEC 104 1HBB HEC 104 1.908 1.719 7.541
864 HBB2 HEC 104 2HBB HEC 104 2.414 2.031 5.899
865 HBB3 HEC 104 3HBB HEC 104 1.520 0.558 6.275
866 HMC1 HEC 104 1HMC HEC 104 -2.438 6.261 7.786
867 HMC2 HEC 104 2HMC HEC 104 -3.030 7.877 7.397
868 HMC3 HEC 104 3HMC HEC 104 -1.450 7.353 6.819
869 HAC HEC 104 HAC HEC 104 -6.166 7.587 5.139
870 HBC1 HEC 104 1HBC HEC 104 -5.684 9.657 6.675
871 HBC2 HEC 104 2HBC HEC 104 -4.028 9.475 6.095
872 HBC3 HEC 104 3HBC HEC 104 -5.337 9.769 4.949
873 HMD1 HEC 104 1HMD HEC 104 -6.481 8.606 -0.655
874 HMD2 HEC 104 2HMD HEC 104 -5.861 8.995 0.950
875 HMD3 HEC 104 3HMD HEC 104 -7.392 8.139 0.781
876 HAD1 HEC 104 1HAD HEC 104 -7.278 6.373 -1.637
877 HAD2 HEC 104 2HAD HEC 104 -6.358 4.950 -2.100
878 HBD1 HEC 104 1HBD HEC 104 -4.860 7.300 -2.799
879 HBD2 HEC 104 2HBD HEC 104 -5.497 6.041 -3.857
Start of MODEL 12
1 H1 THR -5 H1 THR -5 16.138 1.781 -6.676
2 H2 THR -5 H2 THR -5 15.276 2.926 -5.764
3 H3 THR -5 H3 THR -5 14.445 1.709 -6.608
4 HA THR -5 HA THR -5 16.424 0.953 -4.571
5 HB THR -5 HB THR -5 14.537 0.955 -2.909
6 HG1 THR -5 HG1 THR -5 12.958 2.733 -3.777
7 HG21 THR -5 HG21 THR -5 15.712 2.790 -2.315
8 HG22 THR -5 HG22 THR -5 14.473 3.717 -3.160
9 HG23 THR -5 HG23 THR -5 15.961 3.267 -3.994
10 H GLU -4 H GLU -4 16.124 -1.241 -4.014
11 HA GLU -4 HA GLU -4 14.308 -2.727 -5.855
12 HB2 GLU -4 HB2 GLU -4 16.753 -3.287 -5.864
13 HB3 GLU -4 HB3 GLU -4 16.604 -3.784 -4.178
14 HG2 GLU -4 HG2 GLU -4 14.857 -5.431 -4.853
15 HG3 GLU -4 HG3 GLU -4 15.123 -4.981 -6.538
16 H PHE -3 H PHE -3 12.724 -4.095 -5.024
17 HA PHE -3 HA PHE -3 12.243 -3.853 -2.099
18 HB2 PHE -3 HB2 PHE -3 10.289 -3.212 -3.221
19 HB3 PHE -3 HB3 PHE -3 10.491 -4.436 -4.473
20 HD1 PHE -3 HD2 PHE -3 10.720 -4.857 -0.759
21 HD2 PHE -3 HD1 PHE -3 8.504 -5.703 -4.341
22 HE1 PHE -3 HE2 PHE -3 9.266 -6.410 0.507
23 HE2 PHE -3 HE1 PHE -3 7.047 -7.255 -3.070
24 HZ PHE -3 HZ PHE -3 7.428 -7.607 -0.646
25 H LYS -2 H LYS -2 12.600 -5.589 -0.810
26 HA LYS -2 HA LYS -2 12.909 -8.259 -2.110
27 HB2 LYS -2 HB2 LYS -2 14.181 -7.170 0.419
28 HB3 LYS -2 HB3 LYS -2 14.381 -8.816 -0.181
29 HG2 LYS -2 HG2 LYS -2 15.305 -7.888 -2.307
30 HG3 LYS -2 HG3 LYS -2 15.204 -6.271 -1.608
31 HD2 LYS -2 HD2 LYS -2 16.674 -7.036 0.263
32 HD3 LYS -2 HD3 LYS -2 16.852 -8.588 -0.558
33 HE2 LYS -2 HE2 LYS -2 18.549 -7.702 -1.741
34 HE3 LYS -2 HE3 LYS -2 17.385 -6.624 -2.511
35 HZ1 LYS -2 HZ1 LYS -2 17.665 -5.190 -0.457
36 HZ2 LYS -2 HZ2 LYS -2 18.966 -5.224 -1.550
37 HZ3 LYS -2 HZ3 LYS -2 19.038 -6.124 -0.111
38 H ALA -1 H ALA -1 11.732 -9.974 -1.238
39 HA ALA -1 HA ALA -1 9.491 -9.258 0.482
40 HB1 ALA -1 HB1 ALA -1 9.476 -12.010 0.307
41 HB2 ALA -1 HB2 ALA -1 10.279 -11.535 -1.190
42 HB3 ALA -1 HB3 ALA -1 8.670 -10.917 -0.819
43 H GLY 1 H GLY 1 10.279 -8.766 2.539
44 HA2 GLY 1 HA2 GLY 1 12.206 -10.495 3.885
45 HA3 GLY 1 HA3 GLY 1 11.351 -9.134 4.615
46 H SER 2 H SER 2 9.949 -9.730 6.185
47 HA SER 2 HA SER 2 8.597 -12.393 5.919
48 HB2 SER 2 HB2 SER 2 9.467 -10.987 8.460
49 HB3 SER 2 HB3 SER 2 8.613 -12.525 8.381
50 HG SER 2 HG SER 2 10.439 -13.464 7.957
51 H ALA 3 H ALA 3 6.382 -12.389 6.221
52 HA ALA 3 HA ALA 3 4.996 -9.861 6.076
53 HB1 ALA 3 HB1 ALA 3 3.860 -11.632 5.028
54 HB2 ALA 3 HB2 ALA 3 2.960 -11.427 6.531
55 HB3 ALA 3 HB3 ALA 3 4.137 -12.731 6.380
56 H LYS 4 H LYS 4 5.699 -12.135 8.681
57 HA LYS 4 HA LYS 4 3.933 -11.109 10.652
58 HB2 LYS 4 HB2 LYS 4 6.733 -12.187 11.083
59 HB3 LYS 4 HB3 LYS 4 5.423 -12.157 12.258
60 HG2 LYS 4 HG2 LYS 4 4.085 -13.630 10.783
61 HG3 LYS 4 HG3 LYS 4 5.436 -13.682 9.651
62 HD2 LYS 4 HD2 LYS 4 5.518 -15.673 11.053
63 HD3 LYS 4 HD3 LYS 4 6.870 -14.622 11.473
64 HE2 LYS 4 HE2 LYS 4 6.071 -14.227 13.562
65 HE3 LYS 4 HE3 LYS 4 4.408 -14.073 12.996
66 HZ1 LYS 4 HZ1 LYS 4 4.262 -16.468 12.837
67 HZ2 LYS 4 HZ2 LYS 4 4.709 -16.015 14.413
68 HZ3 LYS 4 HZ3 LYS 4 5.874 -16.633 13.342
69 H LYS 5 H LYS 5 7.300 -10.261 9.920
70 HA LYS 5 HA LYS 5 7.594 -8.248 11.903
71 HB2 LYS 5 HB2 LYS 5 8.887 -8.513 9.175
72 HB3 LYS 5 HB3 LYS 5 9.414 -7.382 10.419
73 HG2 LYS 5 HG2 LYS 5 9.755 -9.301 11.975
74 HG3 LYS 5 HG3 LYS 5 9.333 -10.401 10.663
75 HD2 LYS 5 HD2 LYS 5 11.205 -9.444 9.312
76 HD3 LYS 5 HD3 LYS 5 11.663 -8.462 10.704
77 HE2 LYS 5 HE2 LYS 5 12.956 -10.217 11.312
78 HE3 LYS 5 HE3 LYS 5 11.448 -10.996 11.792
79 HZ1 LYS 5 HZ1 LYS 5 11.989 -11.179 8.977
80 HZ2 LYS 5 HZ2 LYS 5 11.543 -12.393 10.078
81 HZ3 LYS 5 HZ3 LYS 5 13.172 -11.934 9.929
82 H GLY 6 H GLY 6 6.492 -7.986 8.512
83 HA2 GLY 6 HA2 GLY 6 6.117 -5.133 8.623
84 HA3 GLY 6 HA3 GLY 6 5.403 -6.199 7.424
85 H ALA 7 H ALA 7 4.047 -7.903 9.360
86 HA ALA 7 HA ALA 7 1.566 -6.542 9.564
87 HB1 ALA 7 HB1 ALA 7 2.125 -9.088 9.761
88 HB2 ALA 7 HB2 ALA 7 0.773 -8.440 10.690
89 HB3 ALA 7 HB3 ALA 7 2.323 -8.736 11.478
90 H THR 8 H THR 8 4.124 -7.026 11.998
91 HA THR 8 HA THR 8 2.742 -5.704 14.138
92 HB THR 8 HB THR 8 4.934 -5.572 15.188
93 HG1 THR 8 HG1 THR 8 6.781 -5.863 14.022
94 HG21 THR 8 HG21 THR 8 4.042 -7.782 15.241
95 HG22 THR 8 HG22 THR 8 5.731 -7.956 14.764
96 HG23 THR 8 HG23 THR 8 4.456 -8.057 13.550
97 H LEU 9 H LEU 9 5.072 -4.614 11.719
98 HA LEU 9 HA LEU 9 5.219 -1.884 12.523
99 HB2 LEU 9 HB2 LEU 9 5.762 -3.409 10.017
100 HB3 LEU 9 HB3 LEU 9 5.722 -1.655 9.927
101 HG LEU 9 HG LEU 9 7.277 -2.955 12.134
102 HD11 LEU 9 HD11 LEU 9 8.090 -4.173 10.239
103 HD12 LEU 9 HD12 LEU 9 9.268 -2.901 10.564
104 HD13 LEU 9 HD13 LEU 9 8.116 -2.721 9.240
105 HD21 LEU 9 HD21 LEU 9 8.514 -0.929 12.074
106 HD22 LEU 9 HD22 LEU 9 6.844 -0.429 11.810
107 HD23 LEU 9 HD23 LEU 9 7.957 -0.543 10.447
108 H PHE 10 H PHE 10 3.122 -3.523 10.158
109 HA PHE 10 HA PHE 10 1.663 -1.200 9.332
110 HB2 PHE 10 HB2 PHE 10 1.671 -3.455 8.188
111 HB3 PHE 10 HB3 PHE 10 0.661 -4.063 9.497
112 HD1 PHE 10 HD1 PHE 10 -1.566 -2.828 9.959
113 HD2 PHE 10 HD2 PHE 10 0.709 -2.366 6.347
114 HE1 PHE 10 HE1 PHE 10 -3.580 -1.964 8.799
115 HE2 PHE 10 HE2 PHE 10 -1.302 -1.496 5.190
116 HZ PHE 10 HZ PHE 10 -3.446 -1.298 6.415
117 H LYS 11 H LYS 11 1.003 -3.677 11.786
118 HA LYS 11 HA LYS 11 -1.463 -2.649 12.734
119 HB2 LYS 11 HB2 LYS 11 -0.500 -4.905 13.264
120 HB3 LYS 11 HB3 LYS 11 0.645 -4.111 14.345
121 HG2 LYS 11 HG2 LYS 11 -1.286 -3.145 15.608
122 HG3 LYS 11 HG3 LYS 11 -2.377 -4.075 14.579
123 HD2 LYS 11 HD2 LYS 11 -1.204 -6.163 15.301
124 HD3 LYS 11 HD3 LYS 11 -0.252 -5.194 16.427
125 HE2 LYS 11 HE2 LYS 11 -2.047 -6.002 17.740
126 HE3 LYS 11 HE3 LYS 11 -2.521 -4.354 17.328
127 HZ1 LYS 11 HZ1 LYS 11 -4.336 -5.900 16.970
128 HZ2 LYS 11 HZ2 LYS 11 -3.380 -6.815 15.903
129 HZ3 LYS 11 HZ3 LYS 11 -3.833 -5.228 15.497
130 H THR 12 H THR 12 1.869 -1.798 13.592
131 HA THR 12 HA THR 12 0.817 0.089 15.636
132 HB THR 12 HB THR 12 3.121 0.261 16.408
133 HG1 THR 12 HG1 THR 12 4.698 -0.228 15.128
134 HG21 THR 12 HG21 THR 12 2.606 -1.609 17.546
135 HG22 THR 12 HG22 THR 12 3.378 -2.535 16.257
136 HG23 THR 12 HG23 THR 12 1.643 -2.219 16.199
137 H ARG 13 H ARG 13 1.366 0.293 12.380
138 HA ARG 13 HA ARG 13 1.840 3.200 12.634
139 HB2 ARG 13 HB2 ARG 13 3.670 1.397 11.028
140 HB3 ARG 13 HB3 ARG 13 3.680 3.155 10.957
141 HG2 ARG 13 HG2 ARG 13 4.102 3.175 13.445
142 HG3 ARG 13 HG3 ARG 13 4.298 1.425 13.364
143 HD2 ARG 13 HD2 ARG 13 6.075 1.788 11.608
144 HD3 ARG 13 HD3 ARG 13 5.972 3.515 11.954
145 HE ARG 13 HE ARG 13 7.236 1.502 13.647
146 HH11 ARG 13 HH21 ARG 13 5.635 4.548 13.461
147 HH12 ARG 13 HH22 ARG 13 6.358 5.166 14.909
148 HH21 ARG 13 HH11 ARG 13 8.189 2.289 15.538
149 HH22 ARG 13 HH12 ARG 13 7.804 3.886 16.085
150 H CYS 14 H CYS 14 -0.484 1.635 11.648
151 HA CYS 14 HA CYS 14 -0.813 3.089 9.158
152 HB2 CYS 14 HB2 CYS 14 0.652 1.010 8.670
153 HB3 CYS 14 HB3 CYS 14 -0.861 0.113 8.790
154 H LEU 15 H LEU 15 -2.107 1.154 11.695
155 HA LEU 15 HA LEU 15 -4.644 0.516 10.534
156 HB2 LEU 15 HB2 LEU 15 -4.842 1.258 13.353
157 HB3 LEU 15 HB3 LEU 15 -5.165 -0.287 12.572
158 HG LEU 15 HG LEU 15 -2.625 -0.600 12.465
159 HD11 LEU 15 HD11 LEU 15 -2.647 2.052 13.331
160 HD12 LEU 15 HD12 LEU 15 -1.247 0.977 13.333
161 HD13 LEU 15 HD13 LEU 15 -2.236 1.141 14.784
162 HD21 LEU 15 HD21 LEU 15 -3.018 -0.523 15.324
163 HD22 LEU 15 HD22 LEU 15 -3.007 -1.923 14.255
164 HD23 LEU 15 HD23 LEU 15 -4.509 -1.054 14.551
165 H GLN 16 H GLN 16 -3.420 3.417 12.112
166 HA GLN 16 HA GLN 16 -5.745 4.870 12.558
167 HB2 GLN 16 HB2 GLN 16 -4.399 6.891 12.245
168 HB3 GLN 16 HB3 GLN 16 -3.463 5.667 13.103
169 HG2 GLN 16 HG2 GLN 16 -2.398 5.000 10.968
170 HG3 GLN 16 HG3 GLN 16 -3.305 6.261 10.132
171 HE21 GLN 16 HE21 GLN 16 -2.553 8.435 10.314
172 HE22 GLN 16 HE22 GLN 16 -1.155 8.864 11.174
173 H CYS 17 H CYS 17 -4.884 3.583 9.566
174 HA CYS 17 HA CYS 17 -6.784 5.460 8.239
175 HB2 CYS 17 HB2 CYS 17 -4.039 4.684 7.234
176 HB3 CYS 17 HB3 CYS 17 -5.270 5.434 6.218
177 H HIS 18 H HIS 18 -4.836 3.097 6.548
178 HA HIS 18 HA HIS 18 -6.952 1.894 5.181
179 HB2 HIS 18 HB2 HIS 18 -4.287 0.744 6.013
180 HB3 HIS 18 HB3 HIS 18 -5.388 -0.075 4.903
181 HD1 HIS 18 HD1 HIS 18 -5.726 1.000 2.550
182 HD2 HIS 18 HD2 HIS 18 -3.010 3.026 4.969
183 HE1 HIS 18 HE1 HIS 18 -4.512 2.650 1.045
184 H THR 19 H THR 19 -5.683 1.001 8.381
185 HA THR 19 HA THR 19 -6.490 -0.620 9.905
186 HB THR 19 HB THR 19 -9.189 0.041 8.712
187 HG1 THR 19 HG1 THR 19 -7.818 1.919 9.150
188 HG21 THR 19 HG21 THR 19 -9.243 -1.659 10.424
189 HG22 THR 19 HG22 THR 19 -9.836 -0.161 11.141
190 HG23 THR 19 HG23 THR 19 -8.192 -0.707 11.471
191 H VAL 20 H VAL 20 -5.487 -1.836 7.684
192 HA VAL 20 HA VAL 20 -7.305 -3.499 6.234
193 HB VAL 20 HB VAL 20 -4.822 -2.973 5.755
194 HG11 VAL 20 HG11 VAL 20 -4.232 -5.511 7.206
195 HG12 VAL 20 HG12 VAL 20 -4.363 -4.039 8.168
196 HG13 VAL 20 HG13 VAL 20 -3.177 -4.141 6.868
197 HG21 VAL 20 HG21 VAL 20 -6.420 -5.379 5.269
198 HG22 VAL 20 HG22 VAL 20 -4.685 -5.671 5.134
199 HG23 VAL 20 HG23 VAL 20 -5.449 -4.429 4.142
200 H GLU 21 H GLU 21 -7.738 -3.538 9.192
201 HA GLU 21 HA GLU 21 -6.885 -6.136 10.160
202 HB2 GLU 21 HB2 GLU 21 -7.626 -4.088 11.553
203 HB3 GLU 21 HB3 GLU 21 -9.275 -4.576 11.166
204 HG2 GLU 21 HG2 GLU 21 -8.797 -6.831 12.129
205 HG3 GLU 21 HG3 GLU 21 -7.193 -6.264 12.588
206 H LYS 22 H LYS 22 -8.283 -5.967 7.524
207 HA LYS 22 HA LYS 22 -9.894 -7.141 6.319
208 HB2 LYS 22 HB2 LYS 22 -9.723 -8.910 8.771
209 HB3 LYS 22 HB3 LYS 22 -10.606 -9.334 7.305
210 HG2 LYS 22 HG2 LYS 22 -8.379 -8.829 6.074
211 HG3 LYS 22 HG3 LYS 22 -7.638 -8.964 7.670
212 HD2 LYS 22 HD2 LYS 22 -9.419 -11.074 6.430
213 HD3 LYS 22 HD3 LYS 22 -7.657 -11.126 6.401
214 HE2 LYS 22 HE2 LYS 22 -7.976 -10.757 9.030
215 HE3 LYS 22 HE3 LYS 22 -9.529 -11.524 8.694
216 HZ1 LYS 22 HZ1 LYS 22 -8.121 -13.229 7.431
217 HZ2 LYS 22 HZ2 LYS 22 -8.128 -13.296 9.128
218 HZ3 LYS 22 HZ3 LYS 22 -6.812 -12.603 8.307
219 H GLY 23 H GLY 23 -11.772 -6.138 6.057
220 HA2 GLY 23 HA2 GLY 23 -14.051 -5.641 6.456
221 HA3 GLY 23 HA3 GLY 23 -13.929 -6.497 7.995
222 H GLY 24 H GLY 24 -11.366 -4.345 7.768
223 HA2 GLY 24 HA2 GLY 24 -12.491 -2.643 9.828
224 HA3 GLY 24 HA3 GLY 24 -10.921 -2.421 9.057
225 HA PRO 25 HA PRO 25 -14.429 0.469 7.357
226 HB2 PRO 25 HB2 PRO 25 -13.750 2.742 8.789
227 HB3 PRO 25 HB3 PRO 25 -15.065 1.635 9.222
228 HG2 PRO 25 HG2 PRO 25 -12.315 1.830 10.326
229 HG3 PRO 25 HG3 PRO 25 -13.842 1.467 11.148
230 HD2 PRO 25 HD2 PRO 25 -12.029 -0.465 10.529
231 HD3 PRO 25 HD3 PRO 25 -13.779 -0.777 10.562
232 H HIS 26 H HIS 26 -13.861 1.652 5.551
233 HA HIS 26 HA HIS 26 -11.156 1.794 4.698
234 HB2 HIS 26 HB2 HIS 26 -13.550 3.401 3.766
235 HB3 HIS 26 HB3 HIS 26 -12.006 3.316 2.925
236 HD1 HIS 26 HD1 HIS 26 -11.242 0.798 2.209
237 HD2 HIS 26 HD2 HIS 26 -15.277 1.314 3.134
238 HE1 HIS 26 HE1 HIS 26 -12.460 -1.205 1.247
239 HE2 HIS 26 HE2 HIS 26 -14.916 -0.901 1.805
240 H LYS 27 H LYS 27 -13.209 4.299 6.208
241 HA LYS 27 HA LYS 27 -12.601 6.392 7.080
242 HB2 LYS 27 HB2 LYS 27 -9.966 4.925 7.448
243 HB3 LYS 27 HB3 LYS 27 -10.338 6.496 8.150
244 HG2 LYS 27 HG2 LYS 27 -12.323 5.460 9.278
245 HG3 LYS 27 HG3 LYS 27 -11.778 3.889 8.689
246 HD2 LYS 27 HD2 LYS 27 -9.615 4.215 9.857
247 HD3 LYS 27 HD3 LYS 27 -10.197 5.758 10.480
248 HE2 LYS 27 HE2 LYS 27 -12.229 3.962 11.129
249 HE3 LYS 27 HE3 LYS 27 -10.745 3.059 11.436
250 HZ1 LYS 27 HZ1 LYS 27 -11.864 4.921 13.083
251 HZ2 LYS 27 HZ2 LYS 27 -10.583 5.760 12.349
252 HZ3 LYS 27 HZ3 LYS 27 -10.284 4.315 13.191
253 H VAL 28 H VAL 28 -9.699 7.357 6.771
254 HA VAL 28 HA VAL 28 -10.103 8.810 4.338
255 HB VAL 28 HB VAL 28 -7.634 8.400 6.038
256 HG11 VAL 28 HG11 VAL 28 -6.601 9.146 4.131
257 HG12 VAL 28 HG12 VAL 28 -7.176 10.707 4.714
258 HG13 VAL 28 HG13 VAL 28 -8.083 9.841 3.475
259 HG21 VAL 28 HG21 VAL 28 -8.496 10.034 7.335
260 HG22 VAL 28 HG22 VAL 28 -10.002 9.868 6.434
261 HG23 VAL 28 HG23 VAL 28 -8.801 11.056 5.930
262 H GLY 29 H GLY 29 -7.991 5.991 5.044
263 HA2 GLY 29 HA2 GLY 29 -7.368 5.887 2.127
264 HA3 GLY 29 HA3 GLY 29 -6.406 5.117 3.385
265 HA PRO 30 HA PRO 30 -9.914 2.359 1.438
266 HB2 PRO 30 HB2 PRO 30 -8.198 0.839 -0.161
267 HB3 PRO 30 HB3 PRO 30 -9.280 2.120 -0.733
268 HG2 PRO 30 HG2 PRO 30 -6.370 2.201 -0.200
269 HG3 PRO 30 HG3 PRO 30 -7.326 3.069 -1.411
270 HD2 PRO 30 HD2 PRO 30 -6.378 4.276 0.838
271 HD3 PRO 30 HD3 PRO 30 -7.897 4.768 0.058
272 H ASN 31 H ASN 31 -10.201 0.158 2.064
273 HA ASN 31 HA ASN 31 -8.935 -0.719 4.409
274 HB2 ASN 31 HB2 ASN 31 -11.080 -1.613 3.302
275 HB3 ASN 31 HB3 ASN 31 -10.015 -2.628 2.329
276 HD21 ASN 31 HD21 ASN 31 -11.160 -4.456 3.549
277 HD22 ASN 31 HD22 ASN 31 -10.562 -4.886 5.078
278 H LEU 32 H LEU 32 -7.877 -0.933 1.120
279 HA LEU 32 HA LEU 32 -5.834 -1.605 0.226
280 HB2 LEU 32 HB2 LEU 32 -5.007 -0.674 2.525
281 HB3 LEU 32 HB3 LEU 32 -4.873 -2.366 2.982
282 HG LEU 32 HG LEU 32 -3.362 -2.787 1.085
283 HD11 LEU 32 HD11 LEU 32 -4.207 -0.015 0.412
284 HD12 LEU 32 HD12 LEU 32 -3.757 -1.347 -0.654
285 HD13 LEU 32 HD13 LEU 32 -2.506 -0.393 0.140
286 HD21 LEU 32 HD21 LEU 32 -2.525 -0.334 2.661
287 HD22 LEU 32 HD22 LEU 32 -1.451 -1.498 1.888
288 HD23 LEU 32 HD23 LEU 32 -2.438 -1.990 3.265
289 H HIS 33 H HIS 33 -7.906 -3.351 0.162
290 HA HIS 33 HA HIS 33 -6.516 -5.968 0.501
291 HB2 HIS 33 HB2 HIS 33 -8.937 -5.071 1.788
292 HB3 HIS 33 HB3 HIS 33 -9.302 -6.420 0.712
293 HD1 HIS 33 HD1 HIS 33 -6.652 -5.559 3.333
294 HD2 HIS 33 HD2 HIS 33 -8.751 -8.846 1.866
295 HE1 HIS 33 HE1 HIS 33 -5.935 -7.545 4.734
296 HE2 HIS 33 HE2 HIS 33 -7.217 -9.554 3.857
297 H GLY 34 H GLY 34 -8.124 -3.767 -1.481
298 HA2 GLY 34 HA2 GLY 34 -8.645 -5.892 -3.529
299 HA3 GLY 34 HA3 GLY 34 -9.634 -4.443 -3.388
300 H ILE 35 H ILE 35 -6.533 -3.440 -2.776
301 HA ILE 35 HA ILE 35 -6.306 -1.969 -5.196
302 HB ILE 35 HB ILE 35 -4.154 -2.784 -3.215
303 HG12 ILE 35 HG12 ILE 35 -6.122 -0.538 -3.447
304 HG13 ILE 35 HG13 ILE 35 -5.581 -1.405 -2.016
305 HG21 ILE 35 HG21 ILE 35 -4.017 -0.520 -5.223
306 HG22 ILE 35 HG22 ILE 35 -3.302 -2.098 -5.528
307 HG23 ILE 35 HG23 ILE 35 -2.726 -1.124 -4.186
308 HD11 ILE 35 HD11 ILE 35 -4.519 0.661 -1.749
309 HD12 ILE 35 HD12 ILE 35 -4.247 0.855 -3.479
310 HD13 ILE 35 HD13 ILE 35 -3.260 -0.274 -2.553
311 H PHE 36 H PHE 36 -5.230 -5.218 -4.373
312 HA PHE 36 HA PHE 36 -3.848 -5.416 -7.003
313 HB2 PHE 36 HB2 PHE 36 -4.011 -7.401 -4.713
314 HB3 PHE 36 HB3 PHE 36 -3.028 -7.586 -6.164
315 HD1 PHE 36 HD2 PHE 36 -1.122 -6.033 -6.598
316 HD2 PHE 36 HD1 PHE 36 -3.344 -5.946 -2.922
317 HE1 PHE 36 HE2 PHE 36 0.694 -4.722 -5.529
318 HE2 PHE 36 HE1 PHE 36 -1.528 -4.635 -1.856
319 HZ PHE 36 HZ PHE 36 0.491 -4.025 -3.159
320 H GLY 37 H GLY 37 -4.837 -6.430 -8.703
321 HA2 GLY 37 HA2 GLY 37 -6.331 -8.689 -8.874
322 HA3 GLY 37 HA3 GLY 37 -7.534 -7.538 -8.292
323 H ARG 38 H ARG 38 -8.406 -6.070 -9.737
324 HA ARG 38 HA ARG 38 -7.665 -6.450 -12.584
325 HB2 ARG 38 HB2 ARG 38 -9.997 -4.984 -11.309
326 HB3 ARG 38 HB3 ARG 38 -9.769 -5.215 -13.041
327 HG2 ARG 38 HG2 ARG 38 -9.823 -7.569 -11.161
328 HG3 ARG 38 HG3 ARG 38 -11.317 -6.875 -11.787
329 HD2 ARG 38 HD2 ARG 38 -10.391 -7.152 -14.112
330 HD3 ARG 38 HD3 ARG 38 -9.026 -8.021 -13.414
331 HE ARG 38 HE ARG 38 -11.411 -9.241 -12.466
332 HH11 ARG 38 HH21 ARG 38 -9.624 -8.689 -15.362
333 HH12 ARG 38 HH22 ARG 38 -10.167 -10.142 -16.133
334 HH21 ARG 38 HH11 ARG 38 -12.131 -11.143 -13.455
335 HH22 ARG 38 HH12 ARG 38 -11.586 -11.531 -15.053
336 H HIS 39 H HIS 39 -8.415 -4.021 -13.660
337 HA HIS 39 HA HIS 39 -6.152 -2.430 -13.572
338 HB2 HIS 39 HB2 HIS 39 -8.992 -1.369 -13.789
339 HB3 HIS 39 HB3 HIS 39 -7.532 -0.572 -14.378
340 HD1 HIS 39 HD1 HIS 39 -9.582 -1.117 -16.487
341 HD2 HIS 39 HD2 HIS 39 -6.739 -3.973 -15.413
342 HE1 HIS 39 HE1 HIS 39 -9.395 -2.716 -18.445
343 HE2 HIS 39 HE2 HIS 39 -7.666 -4.457 -17.802
344 H SER 40 H SER 40 -5.895 -0.227 -12.490
345 HA SER 40 HA SER 40 -6.010 -0.533 -9.678
346 HB2 SER 40 HB2 SER 40 -5.182 1.702 -9.556
347 HB3 SER 40 HB3 SER 40 -4.496 1.013 -11.018
348 HG SER 40 HG SER 40 -6.707 2.762 -10.751
349 H GLY 41 H GLY 41 -7.249 0.755 -8.117
350 HA2 GLY 41 HA2 GLY 41 -9.219 1.771 -7.311
351 HA3 GLY 41 HA3 GLY 41 -9.652 2.142 -8.978
352 H GLN 42 H GLN 42 -9.746 -0.385 -6.495
353 HA GLN 42 HA GLN 42 -12.011 -1.628 -8.009
354 HB2 GLN 42 HB2 GLN 42 -9.805 -3.145 -6.583
355 HB3 GLN 42 HB3 GLN 42 -11.200 -3.864 -7.388
356 HG2 GLN 42 HG2 GLN 42 -10.021 -3.886 -9.303
357 HG3 GLN 42 HG3 GLN 42 -10.017 -2.121 -9.275
358 HE21 GLN 42 HE21 GLN 42 -8.020 -1.102 -8.916
359 HE22 GLN 42 HE22 GLN 42 -6.604 -1.913 -8.447
360 H ALA 43 H ALA 43 -11.223 -0.059 -5.255
361 HA ALA 43 HA ALA 43 -12.406 -1.806 -3.263
362 HB1 ALA 43 HB1 ALA 43 -12.127 -0.016 -1.749
363 HB2 ALA 43 HB2 ALA 43 -12.226 1.196 -3.028
364 HB3 ALA 43 HB3 ALA 43 -10.793 0.178 -2.886
365 H GLU 44 H GLU 44 -14.536 -2.282 -3.179
366 HA GLU 44 HA GLU 44 -16.536 -0.851 -4.672
367 HB2 GLU 44 HB2 GLU 44 -16.805 -2.831 -2.390
368 HB3 GLU 44 HB3 GLU 44 -18.147 -2.262 -3.383
369 HG2 GLU 44 HG2 GLU 44 -16.991 -3.127 -5.405
370 HG3 GLU 44 HG3 GLU 44 -15.701 -3.753 -4.377
371 H GLY 45 H GLY 45 -15.478 -0.736 -1.295
372 HA2 GLY 45 HA2 GLY 45 -17.579 1.211 -0.603
373 HA3 GLY 45 HA3 GLY 45 -16.332 0.600 0.488
374 H TYR 46 H TYR 46 -14.034 1.317 -0.140
375 HA TYR 46 HA TYR 46 -13.872 4.155 -0.118
376 HB2 TYR 46 HB2 TYR 46 -12.021 2.834 0.707
377 HB3 TYR 46 HB3 TYR 46 -11.813 2.058 -0.861
378 HD1 TYR 46 HD2 TYR 46 -11.499 5.267 0.983
379 HD2 TYR 46 HD1 TYR 46 -10.673 3.133 -2.650
380 HE1 TYR 46 HE2 TYR 46 -9.990 7.091 0.254
381 HE2 TYR 46 HE1 TYR 46 -9.165 4.949 -3.383
382 HH TYR 46 HH TYR 46 -8.392 6.992 -2.933
383 H SER 47 H SER 47 -13.383 5.644 -1.792
384 HA SER 47 HA SER 47 -13.788 4.577 -4.560
385 HB2 SER 47 HB2 SER 47 -14.531 7.298 -3.456
386 HB3 SER 47 HB3 SER 47 -14.802 6.749 -5.107
387 HG SER 47 HG SER 47 -15.815 5.467 -2.782
388 H TYR 48 H TYR 48 -12.529 5.498 -6.227
389 HA TYR 48 HA TYR 48 -10.070 6.907 -5.275
390 HB2 TYR 48 HB2 TYR 48 -10.554 5.216 -7.751
391 HB3 TYR 48 HB3 TYR 48 -9.041 6.046 -7.383
392 HD1 TYR 48 HD2 TYR 48 -11.422 3.468 -6.123
393 HD2 TYR 48 HD1 TYR 48 -7.460 5.110 -5.885
394 HE1 TYR 48 HE2 TYR 48 -10.715 1.560 -4.707
395 HE2 TYR 48 HE1 TYR 48 -6.753 3.201 -4.469
396 HH TYR 48 HH TYR 48 -9.033 0.958 -3.141
397 H THR 49 H THR 49 -9.300 8.700 -6.571
398 HA THR 49 HA THR 49 -11.412 10.353 -7.644
399 HB THR 49 HB THR 49 -9.617 11.570 -6.728
400 HG1 THR 49 HG1 THR 49 -8.891 11.540 -9.453
401 HG21 THR 49 HG21 THR 49 -7.927 9.559 -8.181
402 HG22 THR 49 HG22 THR 49 -7.877 10.033 -6.483
403 HG23 THR 49 HG23 THR 49 -7.237 11.115 -7.720
404 H ASP 50 H ASP 50 -10.888 7.692 -8.947
405 HA ASP 50 HA ASP 50 -10.868 6.789 -11.097
406 HB2 ASP 50 HB2 ASP 50 -11.679 9.635 -11.756
407 HB3 ASP 50 HB3 ASP 50 -11.726 8.298 -12.903
408 H ALA 51 H ALA 51 -8.627 9.073 -10.126
409 HA ALA 51 HA ALA 51 -7.249 9.593 -12.586
410 HB1 ALA 51 HB1 ALA 51 -6.244 9.485 -9.731
411 HB2 ALA 51 HB2 ALA 51 -6.728 10.921 -10.629
412 HB3 ALA 51 HB3 ALA 51 -5.273 10.041 -11.091
413 H ASN 52 H ASN 52 -6.962 6.979 -10.186
414 HA ASN 52 HA ASN 52 -4.805 5.687 -11.679
415 HB2 ASN 52 HB2 ASN 52 -4.919 3.939 -10.042
416 HB3 ASN 52 HB3 ASN 52 -5.123 5.462 -9.180
417 HD21 ASN 52 HD21 ASN 52 -6.137 2.685 -8.491
418 HD22 ASN 52 HD22 ASN 52 -7.807 2.869 -8.300
419 H ILE 53 H ILE 53 -8.323 5.338 -11.405
420 HA ILE 53 HA ILE 53 -8.559 2.880 -12.845
421 HB ILE 53 HB ILE 53 -10.495 5.210 -12.705
422 HG12 ILE 53 HG12 ILE 53 -10.392 2.627 -11.115
423 HG13 ILE 53 HG13 ILE 53 -9.845 4.191 -10.511
424 HG21 ILE 53 HG21 ILE 53 -11.859 2.773 -13.007
425 HG22 ILE 53 HG22 ILE 53 -10.537 2.706 -14.172
426 HG23 ILE 53 HG23 ILE 53 -11.687 4.042 -14.219
427 HD11 ILE 53 HD11 ILE 53 -12.461 4.521 -11.623
428 HD12 ILE 53 HD12 ILE 53 -11.949 4.732 -9.949
429 HD13 ILE 53 HD13 ILE 53 -12.496 3.152 -10.512
430 H LYS 54 H LYS 54 -8.807 6.261 -14.026
431 HA LYS 54 HA LYS 54 -9.164 5.607 -16.762
432 HB2 LYS 54 HB2 LYS 54 -7.838 8.007 -15.470
433 HB3 LYS 54 HB3 LYS 54 -8.240 7.904 -17.183
434 HG2 LYS 54 HG2 LYS 54 -10.623 7.508 -16.571
435 HG3 LYS 54 HG3 LYS 54 -10.195 7.729 -14.874
436 HD2 LYS 54 HD2 LYS 54 -9.332 10.008 -15.433
437 HD3 LYS 54 HD3 LYS 54 -9.907 9.782 -17.085
438 HE2 LYS 54 HE2 LYS 54 -12.104 9.097 -15.511
439 HE3 LYS 54 HE3 LYS 54 -11.412 10.496 -14.691
440 HZ1 LYS 54 HZ1 LYS 54 -12.597 10.293 -17.349
441 HZ2 LYS 54 HZ2 LYS 54 -11.272 11.343 -17.175
442 HZ3 LYS 54 HZ3 LYS 54 -12.664 11.563 -16.225
443 H LYS 55 H LYS 55 -6.236 5.920 -14.809
444 HA LYS 55 HA LYS 55 -4.325 5.834 -16.904
445 HB2 LYS 55 HB2 LYS 55 -3.812 6.263 -14.481
446 HB3 LYS 55 HB3 LYS 55 -4.079 4.550 -14.165
447 HG2 LYS 55 HG2 LYS 55 -1.755 4.652 -14.457
448 HG3 LYS 55 HG3 LYS 55 -2.316 4.176 -16.058
449 HD2 LYS 55 HD2 LYS 55 -2.166 6.470 -16.853
450 HD3 LYS 55 HD3 LYS 55 -1.774 7.042 -15.231
451 HE2 LYS 55 HE2 LYS 55 0.346 6.894 -16.186
452 HE3 LYS 55 HE3 LYS 55 0.205 5.313 -15.419
453 HZ1 LYS 55 HZ1 LYS 55 0.751 5.744 -18.034
454 HZ2 LYS 55 HZ2 LYS 55 -0.914 5.407 -18.064
455 HZ3 LYS 55 HZ3 LYS 55 0.170 4.290 -17.383
456 H ASN 56 H ASN 56 -6.275 3.317 -15.428
457 HA ASN 56 HA ASN 56 -6.578 1.070 -16.017
458 HB2 ASN 56 HB2 ASN 56 -6.795 2.221 -18.316
459 HB3 ASN 56 HB3 ASN 56 -5.137 1.687 -18.597
460 HD21 ASN 56 HD21 ASN 56 -6.084 -0.708 -16.655
461 HD22 ASN 56 HD22 ASN 56 -6.795 -1.776 -17.766
462 H VAL 57 H VAL 57 -4.456 1.516 -14.386
463 HA VAL 57 HA VAL 57 -2.306 -0.226 -15.509
464 HB VAL 57 HB VAL 57 -1.582 2.105 -14.938
465 HG11 VAL 57 HG11 VAL 57 -1.896 3.024 -12.852
466 HG12 VAL 57 HG12 VAL 57 -1.820 1.462 -12.038
467 HG13 VAL 57 HG13 VAL 57 -3.296 1.952 -12.871
468 HG21 VAL 57 HG21 VAL 57 -0.486 -0.400 -13.905
469 HG22 VAL 57 HG22 VAL 57 0.016 0.991 -12.944
470 HG23 VAL 57 HG23 VAL 57 0.347 0.950 -14.676
471 H LEU 58 H LEU 58 -1.731 -2.018 -14.278
472 HA LEU 58 HA LEU 58 -3.621 -2.723 -12.124
473 HB2 LEU 58 HB2 LEU 58 -3.157 -4.402 -13.841
474 HB3 LEU 58 HB3 LEU 58 -1.434 -4.314 -13.490
475 HG LEU 58 HG LEU 58 -1.831 -5.129 -11.209
476 HD11 LEU 58 HD11 LEU 58 -3.929 -4.361 -10.558
477 HD12 LEU 58 HD12 LEU 58 -4.275 -6.058 -10.892
478 HD13 LEU 58 HD13 LEU 58 -4.683 -4.823 -12.084
479 HD21 LEU 58 HD21 LEU 58 -3.120 -7.351 -12.040
480 HD22 LEU 58 HD22 LEU 58 -1.440 -7.014 -12.458
481 HD23 LEU 58 HD23 LEU 58 -2.727 -6.645 -13.607
482 H TRP 59 H TRP 59 -3.084 -2.617 -9.994
483 HA TRP 59 HA TRP 59 -0.489 -1.570 -9.206
484 HB2 TRP 59 HB2 TRP 59 -2.939 -2.510 -7.730
485 HB3 TRP 59 HB3 TRP 59 -1.454 -2.159 -6.855
486 HD1 TRP 59 HD1 TRP 59 -4.470 -0.548 -8.108
487 HE1 TRP 59 HE1 TRP 59 -4.258 2.029 -8.067
488 HE3 TRP 59 HE3 TRP 59 0.539 -0.136 -7.320
489 HZ2 TRP 59 HZ2 TRP 59 -2.202 3.990 -7.711
490 HZ3 TRP 59 HZ3 TRP 59 1.605 2.089 -7.123
491 HH2 TRP 59 HH2 TRP 59 0.242 4.151 -7.314
492 H ASP 60 H ASP 60 1.278 -2.734 -8.541
493 HA ASP 60 HA ASP 60 0.944 -5.520 -7.646
494 HB2 ASP 60 HB2 ASP 60 2.620 -6.385 -9.260
495 HB3 ASP 60 HB3 ASP 60 1.163 -5.814 -10.064
496 H GLU 61 H GLU 61 3.348 -6.381 -7.226
497 HA GLU 61 HA GLU 61 4.423 -4.710 -5.191
498 HB2 GLU 61 HB2 GLU 61 5.729 -6.984 -6.709
499 HB3 GLU 61 HB3 GLU 61 6.367 -6.268 -5.228
500 HG2 GLU 61 HG2 GLU 61 4.255 -6.855 -4.059
501 HG3 GLU 61 HG3 GLU 61 3.676 -7.632 -5.532
502 H ASN 62 H ASN 62 5.394 -5.104 -8.587
503 HA ASN 62 HA ASN 62 7.771 -3.505 -8.395
504 HB2 ASN 62 HB2 ASN 62 5.959 -4.048 -10.763
505 HB3 ASN 62 HB3 ASN 62 7.561 -3.319 -10.868
506 HD21 ASN 62 HD21 ASN 62 8.967 -4.906 -8.977
507 HD22 ASN 62 HD22 ASN 62 9.020 -6.509 -9.535
508 H ASN 63 H ASN 63 4.438 -2.695 -9.317
509 HA ASN 63 HA ASN 63 4.906 0.053 -9.912
510 HB2 ASN 63 HB2 ASN 63 2.395 -1.266 -8.838
511 HB3 ASN 63 HB3 ASN 63 2.471 0.332 -9.578
512 HD21 ASN 63 HD21 ASN 63 1.194 -2.377 -10.459
513 HD22 ASN 63 HD22 ASN 63 1.731 -2.555 -12.058
514 H MET 64 H MET 64 4.110 -1.595 -6.870
515 HA MET 64 HA MET 64 3.684 0.737 -5.299
516 HB2 MET 64 HB2 MET 64 4.747 -2.000 -4.558
517 HB3 MET 64 HB3 MET 64 4.360 -0.755 -3.368
518 HG2 MET 64 HG2 MET 64 2.408 -1.849 -5.413
519 HG3 MET 64 HG3 MET 64 2.476 -2.353 -3.726
520 HE1 MET 64 HE1 MET 64 -0.707 -0.103 -4.492
521 HE2 MET 64 HE2 MET 64 -0.295 -1.469 -3.454
522 HE3 MET 64 HE3 MET 64 0.109 -1.522 -5.169
523 H SER 65 H SER 65 6.672 -0.959 -6.189
524 HA SER 65 HA SER 65 8.427 0.471 -4.461
525 HB2 SER 65 HB2 SER 65 9.049 -1.541 -5.845
526 HB3 SER 65 HB3 SER 65 9.050 -0.500 -7.265
527 HG SER 65 HG SER 65 10.751 -0.493 -5.020
528 H GLU 66 H GLU 66 7.209 1.209 -7.710
529 HA GLU 66 HA GLU 66 8.735 3.627 -8.035
530 HB2 GLU 66 HB2 GLU 66 6.143 2.709 -9.311
531 HB3 GLU 66 HB3 GLU 66 7.073 4.110 -9.837
532 HG2 GLU 66 HG2 GLU 66 9.034 2.640 -10.234
533 HG3 GLU 66 HG3 GLU 66 8.057 1.245 -9.774
534 H TYR 67 H TYR 67 5.571 2.900 -6.641
535 HA TYR 67 HA TYR 67 4.600 5.567 -6.424
536 HB2 TYR 67 HB2 TYR 67 3.156 3.640 -6.015
537 HB3 TYR 67 HB3 TYR 67 4.128 3.177 -4.618
538 HD1 TYR 67 HD2 TYR 67 1.945 5.879 -5.976
539 HD2 TYR 67 HD1 TYR 67 3.774 4.161 -2.495
540 HE1 TYR 67 HE2 TYR 67 0.599 7.380 -4.530
541 HE2 TYR 67 HE1 TYR 67 2.432 5.662 -1.047
542 HH TYR 67 HH TYR 67 0.019 7.880 -2.439
543 H LEU 68 H LEU 68 6.505 3.629 -4.099
544 HA LEU 68 HA LEU 68 6.665 5.751 -2.158
545 HB2 LEU 68 HB2 LEU 68 8.349 3.271 -2.586
546 HB3 LEU 68 HB3 LEU 68 8.486 4.329 -1.186
547 HG LEU 68 HG LEU 68 5.930 2.940 -2.042
548 HD11 LEU 68 HD11 LEU 68 8.220 1.993 -0.535
549 HD12 LEU 68 HD12 LEU 68 6.778 1.110 -1.039
550 HD13 LEU 68 HD13 LEU 68 6.773 2.016 0.475
551 HD21 LEU 68 HD21 LEU 68 5.546 3.600 0.529
552 HD22 LEU 68 HD22 LEU 68 5.165 4.717 -0.781
553 HD23 LEU 68 HD23 LEU 68 6.682 4.879 0.101
554 H THR 69 H THR 69 8.845 4.646 -4.737
555 HA THR 69 HA THR 69 10.918 6.565 -4.086
556 HB THR 69 HB THR 69 11.922 5.896 -6.208
557 HG1 THR 69 HG1 THR 69 10.773 5.003 -7.759
558 HG21 THR 69 HG21 THR 69 12.321 4.279 -4.538
559 HG22 THR 69 HG22 THR 69 11.715 3.337 -5.901
560 HG23 THR 69 HG23 THR 69 10.647 3.725 -4.552
561 H ASN 70 H ASN 70 8.269 6.499 -6.468
562 HA ASN 70 HA ASN 70 8.381 9.452 -6.583
563 HB2 ASN 70 HB2 ASN 70 8.572 7.723 -9.072
564 HB3 ASN 70 HB3 ASN 70 8.439 9.481 -9.043
565 HD21 ASN 70 HD21 ASN 70 10.230 10.228 -7.061
566 HD22 ASN 70 HD22 ASN 70 11.799 9.713 -7.457
567 H HIS 71 H HIS 71 6.301 10.172 -6.468
568 HA HIS 71 HA HIS 71 4.165 8.615 -7.808
569 HB2 HIS 71 HB2 HIS 71 2.805 9.041 -5.599
570 HB3 HIS 71 HB3 HIS 71 3.891 7.656 -5.701
571 HD1 HIS 71 HD1 HIS 71 3.087 10.279 -3.467
572 HD2 HIS 71 HD2 HIS 71 6.699 8.638 -4.758
573 HE1 HIS 71 HE1 HIS 71 4.829 10.931 -1.746
574 HE2 HIS 71 HE2 HIS 71 7.030 9.938 -2.522
575 H ALA 72 H ALA 72 2.591 9.956 -8.654
576 HA ALA 72 HA ALA 72 1.541 12.317 -7.728
577 HB1 ALA 72 HB1 ALA 72 3.084 13.927 -9.233
578 HB2 ALA 72 HB2 ALA 72 4.299 12.727 -8.793
579 HB3 ALA 72 HB3 ALA 72 3.436 13.612 -7.534
580 H LYS 73 H LYS 73 3.094 12.914 -10.774
581 HA LYS 73 HA LYS 73 0.626 13.015 -12.197
582 HB2 LYS 73 HB2 LYS 73 3.456 12.669 -13.228
583 HB3 LYS 73 HB3 LYS 73 2.064 13.046 -14.243
584 HG2 LYS 73 HG2 LYS 73 1.661 15.087 -12.860
585 HG3 LYS 73 HG3 LYS 73 3.141 14.734 -11.966
586 HD2 LYS 73 HD2 LYS 73 4.411 14.814 -14.115
587 HD3 LYS 73 HD3 LYS 73 2.926 15.289 -14.940
588 HE2 LYS 73 HE2 LYS 73 3.632 17.407 -14.486
589 HE3 LYS 73 HE3 LYS 73 2.970 17.084 -12.883
590 HZ1 LYS 73 HZ1 LYS 73 5.773 16.519 -13.679
591 HZ2 LYS 73 HZ2 LYS 73 5.110 16.396 -12.119
592 HZ3 LYS 73 HZ3 LYS 73 5.280 17.917 -12.855
593 H TYR 74 H TYR 74 2.953 10.410 -11.745
594 HA TYR 74 HA TYR 74 1.986 8.610 -13.719
595 HB2 TYR 74 HB2 TYR 74 4.007 7.959 -12.774
596 HB3 TYR 74 HB3 TYR 74 3.475 8.321 -11.134
597 HD1 TYR 74 HD2 TYR 74 1.955 6.245 -13.872
598 HD2 TYR 74 HD1 TYR 74 3.520 6.374 -9.877
599 HE1 TYR 74 HE2 TYR 74 1.306 3.873 -13.540
600 HE2 TYR 74 HE1 TYR 74 2.873 4.007 -9.540
601 HH TYR 74 HH TYR 74 1.980 1.968 -12.100
602 H ILE 75 H ILE 75 0.972 9.029 -10.322
603 HA ILE 75 HA ILE 75 -1.555 7.610 -11.020
604 HB ILE 75 HB ILE 75 -1.342 6.618 -8.594
605 HG12 ILE 75 HG12 ILE 75 1.069 6.133 -8.054
606 HG13 ILE 75 HG13 ILE 75 1.531 7.308 -9.273
607 HG21 ILE 75 HG21 ILE 75 -0.163 4.657 -9.509
608 HG22 ILE 75 HG22 ILE 75 0.379 5.624 -10.879
609 HG23 ILE 75 HG23 ILE 75 -1.338 5.288 -10.663
610 HD11 ILE 75 HD11 ILE 75 1.142 7.947 -6.674
611 HD12 ILE 75 HD12 ILE 75 -0.479 8.230 -7.295
612 HD13 ILE 75 HD13 ILE 75 0.894 9.091 -7.991
613 HA PRO 76 HA PRO 76 -4.125 10.623 -9.051
614 HB2 PRO 76 HB2 PRO 76 -4.213 8.988 -6.570
615 HB3 PRO 76 HB3 PRO 76 -5.545 9.594 -7.567
616 HG2 PRO 76 HG2 PRO 76 -4.338 7.004 -7.619
617 HG3 PRO 76 HG3 PRO 76 -5.675 7.607 -8.606
618 HD2 PRO 76 HD2 PRO 76 -3.209 6.928 -9.638
619 HD3 PRO 76 HD3 PRO 76 -4.294 8.107 -10.395
620 H GLY 77 H GLY 77 -3.455 12.507 -8.101
621 HA2 GLY 77 HA2 GLY 77 -0.921 12.689 -6.741
622 HA3 GLY 77 HA3 GLY 77 -2.099 13.994 -6.887
623 H THR 78 H THR 78 -2.783 10.849 -5.469
624 HA THR 78 HA THR 78 -4.039 11.901 -3.158
625 HB THR 78 HB THR 78 -4.366 9.595 -3.949
626 HG1 THR 78 HG1 THR 78 -3.773 10.323 -1.420
627 HG21 THR 78 HG21 THR 78 -1.815 8.649 -2.781
628 HG22 THR 78 HG22 THR 78 -1.666 9.550 -4.292
629 HG23 THR 78 HG23 THR 78 -2.667 8.098 -4.224
630 H LYS 79 H LYS 79 -3.246 12.567 -1.197
631 HA LYS 79 HA LYS 79 -0.290 12.545 -0.852
632 HB2 LYS 79 HB2 LYS 79 -2.471 14.067 0.614
633 HB3 LYS 79 HB3 LYS 79 -0.746 14.201 0.959
634 HG2 LYS 79 HG2 LYS 79 -0.369 14.910 -1.408
635 HG3 LYS 79 HG3 LYS 79 -2.115 14.888 -1.658
636 HD2 LYS 79 HD2 LYS 79 -2.360 16.536 0.205
637 HD3 LYS 79 HD3 LYS 79 -0.601 16.619 0.318
638 HE2 LYS 79 HE2 LYS 79 -1.178 18.445 -1.075
639 HE3 LYS 79 HE3 LYS 79 -0.654 17.190 -2.199
640 HZ1 LYS 79 HZ1 LYS 79 -3.459 17.825 -1.462
641 HZ2 LYS 79 HZ2 LYS 79 -2.985 16.558 -2.489
642 HZ3 LYS 79 HZ3 LYS 79 -2.711 18.173 -2.943
643 H MET 80 H MET 80 0.647 11.333 0.780
644 HA MET 80 HA MET 80 -1.228 9.868 2.595
645 HB2 MET 80 HB2 MET 80 -0.000 8.531 0.772
646 HB3 MET 80 HB3 MET 80 1.470 8.849 1.687
647 HG2 MET 80 HG2 MET 80 0.887 7.419 3.379
648 HG3 MET 80 HG3 MET 80 -0.832 7.785 3.247
649 HE1 MET 80 HE1 MET 80 2.190 6.333 1.438
650 HE2 MET 80 HE2 MET 80 1.659 4.717 0.982
651 HE3 MET 80 HE3 MET 80 1.799 5.143 2.686
652 H ALA 81 H ALA 81 -0.828 10.073 4.749
653 HA ALA 81 HA ALA 81 1.121 11.961 5.697
654 HB1 ALA 81 HB1 ALA 81 -0.896 10.149 6.898
655 HB2 ALA 81 HB2 ALA 81 -0.561 11.846 7.242
656 HB3 ALA 81 HB3 ALA 81 0.457 10.587 7.942
657 H PHE 82 H PHE 82 1.204 8.508 5.169
658 HA PHE 82 HA PHE 82 3.273 7.733 6.916
659 HB2 PHE 82 HB2 PHE 82 1.952 6.226 5.359
660 HB3 PHE 82 HB3 PHE 82 3.001 6.780 4.053
661 HD1 PHE 82 HD2 PHE 82 2.887 4.949 7.266
662 HD2 PHE 82 HD1 PHE 82 5.307 6.048 3.888
663 HE1 PHE 82 HE2 PHE 82 4.603 3.298 7.957
664 HE2 PHE 82 HE1 PHE 82 7.023 4.396 4.583
665 HZ PHE 82 HZ PHE 82 6.667 3.020 6.617
666 H GLY 83 H GLY 83 3.497 9.266 3.707
667 HA2 GLY 83 HA2 GLY 83 5.289 10.410 2.711
668 HA3 GLY 83 HA3 GLY 83 5.937 10.617 4.340
669 H GLY 84 H GLY 84 7.893 9.695 4.615
670 HA2 GLY 84 HA2 GLY 84 8.513 7.207 3.066
671 HA3 GLY 84 HA3 GLY 84 9.713 8.469 3.339
672 H LEU 85 H LEU 85 9.964 5.715 4.183
673 HA LEU 85 HA LEU 85 9.714 5.952 7.146
674 HB2 LEU 85 HB2 LEU 85 8.674 3.964 6.092
675 HB3 LEU 85 HB3 LEU 85 10.242 3.507 5.434
676 HG LEU 85 HG LEU 85 11.152 3.348 7.722
677 HD11 LEU 85 HD11 LEU 85 9.108 3.254 9.469
678 HD12 LEU 85 HD12 LEU 85 8.466 4.460 8.354
679 HD13 LEU 85 HD13 LEU 85 10.014 4.734 9.154
680 HD21 LEU 85 HD21 LEU 85 10.242 1.316 6.754
681 HD22 LEU 85 HD22 LEU 85 8.603 1.791 7.202
682 HD23 LEU 85 HD23 LEU 85 9.773 1.374 8.453
683 H LYS 86 H LYS 86 11.542 6.224 8.336
684 HA LYS 86 HA LYS 86 14.073 6.727 7.149
685 HB2 LYS 86 HB2 LYS 86 13.395 5.911 9.991
686 HB3 LYS 86 HB3 LYS 86 14.962 6.538 9.476
687 HG2 LYS 86 HG2 LYS 86 13.815 8.600 8.650
688 HG3 LYS 86 HG3 LYS 86 12.300 7.982 9.310
689 HD2 LYS 86 HD2 LYS 86 13.378 7.865 11.562
690 HD3 LYS 86 HD3 LYS 86 14.820 8.612 10.874
691 HE2 LYS 86 HE2 LYS 86 12.860 10.324 10.012
692 HE3 LYS 86 HE3 LYS 86 12.231 9.832 11.585
693 HZ1 LYS 86 HZ1 LYS 86 13.967 10.764 12.681
694 HZ2 LYS 86 HZ2 LYS 86 13.942 11.796 11.331
695 HZ3 LYS 86 HZ3 LYS 86 15.064 10.523 11.411
696 H LYS 87 H LYS 87 12.682 3.758 8.494
697 HA LYS 87 HA LYS 87 15.203 2.300 7.947
698 HB2 LYS 87 HB2 LYS 87 12.567 1.393 9.147
699 HB3 LYS 87 HB3 LYS 87 13.992 0.370 8.967
700 HG2 LYS 87 HG2 LYS 87 15.288 1.987 10.355
701 HG3 LYS 87 HG3 LYS 87 13.809 2.918 10.601
702 HD2 LYS 87 HD2 LYS 87 12.742 0.894 11.594
703 HD3 LYS 87 HD3 LYS 87 14.278 0.041 11.436
704 HE2 LYS 87 HE2 LYS 87 15.157 1.070 13.250
705 HE3 LYS 87 HE3 LYS 87 14.547 2.648 12.750
706 HZ1 LYS 87 HZ1 LYS 87 13.176 2.374 14.483
707 HZ2 LYS 87 HZ2 LYS 87 13.370 0.687 14.523
708 HZ3 LYS 87 HZ3 LYS 87 12.285 1.395 13.423
709 H GLU 88 H GLU 88 15.358 2.069 5.728
710 HA GLU 88 HA GLU 88 13.157 1.610 3.965
711 HB2 GLU 88 HB2 GLU 88 15.418 2.415 3.256
712 HB3 GLU 88 HB3 GLU 88 16.047 0.794 3.554
713 HG2 GLU 88 HG2 GLU 88 14.384 -0.111 1.929
714 HG3 GLU 88 HG3 GLU 88 13.869 1.539 1.579
715 H LYS 89 H LYS 89 15.309 -0.633 5.692
716 HA LYS 89 HA LYS 89 14.503 -3.019 4.389
717 HB2 LYS 89 HB2 LYS 89 15.346 -2.565 7.265
718 HB3 LYS 89 HB3 LYS 89 15.225 -4.144 6.494
719 HG2 LYS 89 HG2 LYS 89 16.864 -3.387 4.770
720 HG3 LYS 89 HG3 LYS 89 17.043 -1.871 5.655
721 HD2 LYS 89 HD2 LYS 89 17.733 -3.182 7.670
722 HD3 LYS 89 HD3 LYS 89 17.677 -4.648 6.690
723 HE2 LYS 89 HE2 LYS 89 19.205 -2.600 5.335
724 HE3 LYS 89 HE3 LYS 89 19.848 -2.871 6.955
725 HZ1 LYS 89 HZ1 LYS 89 20.543 -4.911 6.423
726 HZ2 LYS 89 HZ2 LYS 89 20.398 -4.397 4.811
727 HZ3 LYS 89 HZ3 LYS 89 19.144 -5.282 5.540
728 H ASP 90 H ASP 90 13.137 -1.391 7.248
729 HA ASP 90 HA ASP 90 11.087 -3.326 7.737
730 HB2 ASP 90 HB2 ASP 90 11.256 -0.368 8.373
731 HB3 ASP 90 HB3 ASP 90 9.982 -1.427 8.970
732 H ARG 91 H ARG 91 11.208 -0.413 5.720
733 HA ARG 91 HA ARG 91 8.468 -0.285 5.007
734 HB2 ARG 91 HB2 ARG 91 10.211 1.440 4.466
735 HB3 ARG 91 HB3 ARG 91 10.829 0.359 3.219
736 HG2 ARG 91 HG2 ARG 91 8.670 0.397 2.069
737 HG3 ARG 91 HG3 ARG 91 7.988 1.409 3.344
738 HD2 ARG 91 HD2 ARG 91 8.602 2.878 1.538
739 HD3 ARG 91 HD3 ARG 91 9.787 3.112 2.821
740 HE ARG 91 HE ARG 91 10.555 1.120 0.806
741 HH11 ARG 91 HH21 ARG 91 10.575 4.399 1.870
742 HH12 ARG 91 HH22 ARG 91 11.984 4.827 0.958
743 HH21 ARG 91 HH11 ARG 91 12.394 1.658 -0.391
744 HH22 ARG 91 HH12 ARG 91 13.015 3.274 -0.322
745 H ASN 92 H ASN 92 11.126 -2.168 3.588
746 HA ASN 92 HA ASN 92 9.695 -3.215 1.371
747 HB2 ASN 92 HB2 ASN 92 11.932 -4.441 3.008
748 HB3 ASN 92 HB3 ASN 92 11.379 -5.055 1.452
749 HD21 ASN 92 HD21 ASN 92 14.061 -4.102 1.805
750 HD22 ASN 92 HD22 ASN 92 14.249 -2.687 0.887
751 H ASP 93 H ASP 93 9.934 -4.335 4.730
752 HA ASP 93 HA ASP 93 8.581 -6.809 4.407
753 HB2 ASP 93 HB2 ASP 93 8.675 -4.902 6.759
754 HB3 ASP 93 HB3 ASP 93 8.010 -6.531 6.839
755 H LEU 94 H LEU 94 7.345 -3.523 4.873
756 HA LEU 94 HA LEU 94 4.613 -4.173 5.296
757 HB2 LEU 94 HB2 LEU 94 5.832 -1.780 3.887
758 HB3 LEU 94 HB3 LEU 94 4.174 -1.879 4.465
759 HG LEU 94 HG LEU 94 6.656 -2.104 6.192
760 HD11 LEU 94 HD11 LEU 94 6.363 0.103 6.784
761 HD12 LEU 94 HD12 LEU 94 4.622 0.054 6.510
762 HD13 LEU 94 HD13 LEU 94 5.726 0.182 5.141
763 HD21 LEU 94 HD21 LEU 94 3.744 -2.553 6.657
764 HD22 LEU 94 HD22 LEU 94 4.631 -1.697 7.918
765 HD23 LEU 94 HD23 LEU 94 5.134 -3.315 7.429
766 H ILE 95 H ILE 95 6.426 -3.648 2.277
767 HA ILE 95 HA ILE 95 4.251 -3.805 0.482
768 HB ILE 95 HB ILE 95 7.098 -4.774 0.098
769 HG12 ILE 95 HG12 ILE 95 5.824 -2.099 -0.560
770 HG13 ILE 95 HG13 ILE 95 6.860 -2.391 0.838
771 HG21 ILE 95 HG21 ILE 95 5.623 -5.622 -1.635
772 HG22 ILE 95 HG22 ILE 95 6.594 -4.312 -2.303
773 HG23 ILE 95 HG23 ILE 95 4.913 -4.025 -1.857
774 HD11 ILE 95 HD11 ILE 95 7.625 -1.854 -1.890
775 HD12 ILE 95 HD12 ILE 95 8.241 -3.433 -1.401
776 HD13 ILE 95 HD13 ILE 95 8.652 -1.997 -0.463
777 H THR 96 H THR 96 6.358 -6.404 1.720
778 HA THR 96 HA THR 96 5.089 -8.539 0.321
779 HB THR 96 HB THR 96 6.312 -8.752 3.083
780 HG1 THR 96 HG1 THR 96 7.532 -7.559 1.355
781 HG21 THR 96 HG21 THR 96 6.985 -10.790 1.142
782 HG22 THR 96 HG22 THR 96 5.234 -10.627 1.282
783 HG23 THR 96 HG23 THR 96 6.205 -10.969 2.714
784 H TYR 97 H TYR 97 4.433 -7.104 3.511
785 HA TYR 97 HA TYR 97 2.388 -8.913 4.316
786 HB2 TYR 97 HB2 TYR 97 3.432 -7.232 5.822
787 HB3 TYR 97 HB3 TYR 97 2.605 -5.950 4.938
788 HD1 TYR 97 HD1 TYR 97 2.166 -8.835 7.202
789 HD2 TYR 97 HD2 TYR 97 0.213 -5.602 5.157
790 HE1 TYR 97 HE1 TYR 97 0.138 -9.183 8.588
791 HE2 TYR 97 HE2 TYR 97 -1.814 -5.949 6.543
792 HH TYR 97 HH TYR 97 -2.861 -7.739 7.849
793 H LEU 98 H LEU 98 2.264 -5.970 2.331
794 HA LEU 98 HA LEU 98 -0.541 -5.702 2.123
795 HB2 LEU 98 HB2 LEU 98 1.789 -4.727 0.715
796 HB3 LEU 98 HB3 LEU 98 0.500 -5.109 -0.426
797 HG LEU 98 HG LEU 98 -1.071 -3.724 0.830
798 HD11 LEU 98 HD11 LEU 98 0.563 -2.294 2.609
799 HD12 LEU 98 HD12 LEU 98 0.977 -3.989 2.868
800 HD13 LEU 98 HD13 LEU 98 -0.696 -3.455 3.035
801 HD21 LEU 98 HD21 LEU 98 -0.152 -2.263 -0.667
802 HD22 LEU 98 HD22 LEU 98 1.499 -2.656 -0.193
803 HD23 LEU 98 HD23 LEU 98 0.546 -1.538 0.781
804 H LYS 99 H LYS 99 1.681 -7.764 0.265
805 HA LYS 99 HA LYS 99 -0.208 -8.744 -1.613
806 HB2 LYS 99 HB2 LYS 99 2.261 -9.200 -1.681
807 HB3 LYS 99 HB3 LYS 99 2.052 -10.315 -0.330
808 HG2 LYS 99 HG2 LYS 99 0.512 -11.682 -1.662
809 HG3 LYS 99 HG3 LYS 99 0.641 -10.547 -3.005
810 HD2 LYS 99 HD2 LYS 99 2.133 -12.409 -3.442
811 HD3 LYS 99 HD3 LYS 99 3.111 -10.992 -3.068
812 HE2 LYS 99 HE2 LYS 99 3.950 -11.931 -1.184
813 HE3 LYS 99 HE3 LYS 99 2.375 -12.549 -0.689
814 HZ1 LYS 99 HZ1 LYS 99 3.831 -14.374 -1.163
815 HZ2 LYS 99 HZ2 LYS 99 4.196 -13.752 -2.702
816 HZ3 LYS 99 HZ3 LYS 99 2.631 -14.317 -2.360
817 H LYS 100 H LYS 100 0.543 -9.754 1.698
818 HA LYS 100 HA LYS 100 -1.142 -12.055 1.765
819 HB2 LYS 100 HB2 LYS 100 0.564 -11.488 3.501
820 HB3 LYS 100 HB3 LYS 100 -0.490 -10.189 4.062
821 HG2 LYS 100 HG2 LYS 100 -2.251 -11.786 4.597
822 HG3 LYS 100 HG3 LYS 100 -1.298 -13.108 3.922
823 HD2 LYS 100 HD2 LYS 100 -1.055 -13.126 6.344
824 HD3 LYS 100 HD3 LYS 100 0.477 -12.636 5.621
825 HE2 LYS 100 HE2 LYS 100 0.283 -10.454 6.343
826 HE3 LYS 100 HE3 LYS 100 -1.479 -10.485 6.307
827 HZ1 LYS 100 HZ1 LYS 100 -1.417 -10.847 8.477
828 HZ2 LYS 100 HZ2 LYS 100 0.273 -11.024 8.468
829 HZ3 LYS 100 HZ3 LYS 100 -0.726 -12.366 8.176
830 H ALA 101 H ALA 101 -1.845 -8.612 2.247
831 HA ALA 101 HA ALA 101 -4.450 -8.911 3.355
832 HB1 ALA 101 HB1 ALA 101 -4.844 -6.619 2.260
833 HB2 ALA 101 HB2 ALA 101 -3.188 -6.745 1.668
834 HB3 ALA 101 HB3 ALA 101 -3.505 -6.729 3.403
835 H THR 102 H THR 102 -3.352 -8.879 -0.032
836 HA THR 102 HA THR 102 -6.033 -8.959 -1.117
837 HB THR 102 HB THR 102 -3.597 -8.482 -2.214
838 HG1 THR 102 HG1 THR 102 -5.842 -8.192 -3.004
839 HG21 THR 102 HG21 THR 102 -3.116 -10.985 -2.023
840 HG22 THR 102 HG22 THR 102 -2.899 -10.275 -3.620
841 HG23 THR 102 HG23 THR 102 -4.346 -11.215 -3.266
842 H GLU 103 H GLU 103 -3.754 -11.391 -0.007
843 HA GLU 103 HA GLU 103 -3.943 -13.734 0.106
844 HB2 GLU 103 HB2 GLU 103 -5.711 -12.963 1.708
845 HB3 GLU 103 HB3 GLU 103 -6.883 -13.049 0.393
846 HG2 GLU 103 HG2 GLU 103 -6.317 -15.459 0.092
847 HG3 GLU 103 HG3 GLU 103 -5.244 -15.353 1.487
848 HHA HEC 104 HA HEC 104 -3.654 4.699 -1.818
849 HHB HEC 104 HB HEC 104 0.701 1.150 1.044
850 HHC HEC 104 HC HEC 104 -0.433 4.150 6.498
851 HHD HEC 104 HD HEC 104 -4.521 7.962 3.521
852 HMA1 HEC 104 1HMA HEC 104 -0.378 -0.004 -0.627
853 HMA2 HEC 104 2HMA HEC 104 0.700 0.851 -1.726
854 HMA3 HEC 104 3HMA HEC 104 -0.914 0.376 -2.261
855 HAA1 HEC 104 1HAA HEC 104 -1.478 2.135 -3.557
856 HAA2 HEC 104 2HAA HEC 104 -2.822 3.241 -3.340
857 HBA1 HEC 104 1HBA HEC 104 -1.179 4.454 -4.555
858 HBA2 HEC 104 2HBA HEC 104 0.119 3.902 -3.498
859 HMB1 HEC 104 1HMB HEC 104 3.051 1.450 3.983
860 HMB2 HEC 104 2HMB HEC 104 2.155 -0.002 3.537
861 HMB3 HEC 104 3HMB HEC 104 2.538 1.210 2.319
862 HAB HEC 104 HAB HEC 104 1.451 2.265 6.798
863 HBB1 HEC 104 1HBB HEC 104 0.827 -0.322 5.336
864 HBB2 HEC 104 2HBB HEC 104 1.301 -0.264 7.026
865 HBB3 HEC 104 3HBB HEC 104 2.419 0.282 5.790
866 HMC1 HEC 104 1HMC HEC 104 -0.417 6.448 7.351
867 HMC2 HEC 104 2HMC HEC 104 -1.808 5.837 8.246
868 HMC3 HEC 104 3HMC HEC 104 -1.743 7.533 7.770
869 HAC HEC 104 HAC HEC 104 -5.075 7.722 5.689
870 HBC1 HEC 104 1HBC HEC 104 -4.615 9.841 6.478
871 HBC2 HEC 104 2HBC HEC 104 -3.227 9.300 7.423
872 HBC3 HEC 104 3HBC HEC 104 -3.077 9.512 5.678
873 HMD1 HEC 104 1HMD HEC 104 -4.721 9.328 1.536
874 HMD2 HEC 104 2HMD HEC 104 -6.352 8.659 1.495
875 HMD3 HEC 104 3HMD HEC 104 -5.527 9.062 -0.010
876 HAD1 HEC 104 1HAD HEC 104 -6.561 7.071 -1.049
877 HAD2 HEC 104 2HAD HEC 104 -5.961 5.487 -1.514
878 HBD1 HEC 104 1HBD HEC 104 -5.581 8.040 -2.817
879 HBD2 HEC 104 2HBD HEC 104 -4.028 7.293 -2.445
Start of MODEL 13
1 H1 THR -5 H1 THR -5 15.237 1.368 -6.446
2 H2 THR -5 H2 THR -5 15.633 -0.143 -7.114
3 H3 THR -5 H3 THR -5 16.849 0.845 -6.456
4 HA THR -5 HA THR -5 16.618 -0.293 -4.577
5 HB THR -5 HB THR -5 13.820 0.857 -4.472
6 HG1 THR -5 HG1 THR -5 15.433 2.488 -3.297
7 HG21 THR -5 HG21 THR -5 14.522 1.091 -2.028
8 HG22 THR -5 HG22 THR -5 15.905 0.073 -2.429
9 HG23 THR -5 HG23 THR -5 14.266 -0.556 -2.603
10 H GLU -4 H GLU -4 16.586 -2.419 -5.566
11 HA GLU -4 HA GLU -4 14.260 -3.742 -6.509
12 HB2 GLU -4 HB2 GLU -4 16.679 -4.915 -5.101
13 HB3 GLU -4 HB3 GLU -4 15.498 -5.839 -6.029
14 HG2 GLU -4 HG2 GLU -4 16.040 -4.475 -8.035
15 HG3 GLU -4 HG3 GLU -4 17.274 -3.628 -7.101
16 H PHE -3 H PHE -3 12.679 -4.976 -5.455
17 HA PHE -3 HA PHE -3 12.523 -4.551 -2.513
18 HB2 PHE -3 HB2 PHE -3 10.529 -3.767 -3.459
19 HB3 PHE -3 HB3 PHE -3 10.489 -5.044 -4.672
20 HD1 PHE -3 HD2 PHE -3 11.098 -5.452 -1.008
21 HD2 PHE -3 HD1 PHE -3 8.362 -6.017 -4.272
22 HE1 PHE -3 HE2 PHE -3 9.638 -6.820 0.449
23 HE2 PHE -3 HE1 PHE -3 6.900 -7.379 -2.806
24 HZ PHE -3 HZ PHE -3 7.536 -7.777 -0.446
25 H LYS -2 H LYS -2 12.826 -6.261 -1.174
26 HA LYS -2 HA LYS -2 12.793 -8.997 -2.372
27 HB2 LYS -2 HB2 LYS -2 15.010 -8.150 -1.509
28 HB3 LYS -2 HB3 LYS -2 14.290 -8.091 0.100
29 HG2 LYS -2 HG2 LYS -2 13.759 -10.512 -0.071
30 HG3 LYS -2 HG3 LYS -2 14.552 -10.556 -1.647
31 HD2 LYS -2 HD2 LYS -2 16.650 -9.724 -0.547
32 HD3 LYS -2 HD3 LYS -2 15.841 -9.881 1.012
33 HE2 LYS -2 HE2 LYS -2 15.456 -12.294 0.535
34 HE3 LYS -2 HE3 LYS -2 16.356 -12.116 -0.971
35 HZ1 LYS -2 HZ1 LYS -2 17.668 -12.950 0.972
36 HZ2 LYS -2 HZ2 LYS -2 17.480 -11.417 1.681
37 HZ3 LYS -2 HZ3 LYS -2 18.314 -11.580 0.208
38 H ALA -1 H ALA -1 11.379 -10.456 -1.484
39 HA ALA -1 HA ALA -1 9.458 -9.525 0.483
40 HB1 ALA -1 HB1 ALA -1 9.107 -12.260 0.311
41 HB2 ALA -1 HB2 ALA -1 9.803 -11.861 -1.260
42 HB3 ALA -1 HB3 ALA -1 8.322 -11.067 -0.724
43 H GLY 1 H GLY 1 10.462 -9.168 2.468
44 HA2 GLY 1 HA2 GLY 1 12.292 -11.143 3.613
45 HA3 GLY 1 HA3 GLY 1 11.710 -9.684 4.416
46 H SER 2 H SER 2 10.206 -9.966 5.994
47 HA SER 2 HA SER 2 8.679 -12.545 6.010
48 HB2 SER 2 HB2 SER 2 10.392 -12.376 7.825
49 HB3 SER 2 HB3 SER 2 9.586 -10.923 8.408
50 HG SER 2 HG SER 2 7.971 -12.103 9.142
51 H ALA 3 H ALA 3 6.493 -12.301 6.006
52 HA ALA 3 HA ALA 3 5.301 -9.685 5.818
53 HB1 ALA 3 HB1 ALA 3 4.003 -12.384 6.308
54 HB2 ALA 3 HB2 ALA 3 4.303 -11.657 4.730
55 HB3 ALA 3 HB3 ALA 3 3.152 -10.913 5.838
56 H LYS 4 H LYS 4 5.763 -11.970 8.450
57 HA LYS 4 HA LYS 4 3.933 -10.909 10.334
58 HB2 LYS 4 HB2 LYS 4 6.702 -12.003 10.902
59 HB3 LYS 4 HB3 LYS 4 5.337 -11.959 12.014
60 HG2 LYS 4 HG2 LYS 4 4.063 -13.385 10.363
61 HG3 LYS 4 HG3 LYS 4 5.574 -13.563 9.469
62 HD2 LYS 4 HD2 LYS 4 5.186 -14.324 12.379
63 HD3 LYS 4 HD3 LYS 4 5.189 -15.462 11.032
64 HE2 LYS 4 HE2 LYS 4 7.502 -14.418 10.453
65 HE3 LYS 4 HE3 LYS 4 7.470 -13.816 12.110
66 HZ1 LYS 4 HZ1 LYS 4 7.831 -15.843 12.929
67 HZ2 LYS 4 HZ2 LYS 4 8.318 -16.267 11.358
68 HZ3 LYS 4 HZ3 LYS 4 6.731 -16.585 11.873
69 H LYS 5 H LYS 5 7.345 -10.106 9.765
70 HA LYS 5 HA LYS 5 7.542 -8.049 11.722
71 HB2 LYS 5 HB2 LYS 5 8.993 -8.373 9.078
72 HB3 LYS 5 HB3 LYS 5 9.466 -7.248 10.348
73 HG2 LYS 5 HG2 LYS 5 9.675 -9.172 11.925
74 HG3 LYS 5 HG3 LYS 5 9.322 -10.265 10.586
75 HD2 LYS 5 HD2 LYS 5 11.289 -9.330 9.360
76 HD3 LYS 5 HD3 LYS 5 11.672 -8.359 10.781
77 HE2 LYS 5 HE2 LYS 5 11.439 -10.784 11.950
78 HE3 LYS 5 HE3 LYS 5 11.981 -11.282 10.346
79 HZ1 LYS 5 HZ1 LYS 5 13.700 -9.390 10.694
80 HZ2 LYS 5 HZ2 LYS 5 13.959 -10.907 11.412
81 HZ3 LYS 5 HZ3 LYS 5 13.357 -9.617 12.338
82 H GLY 6 H GLY 6 6.616 -7.916 8.285
83 HA2 GLY 6 HA2 GLY 6 6.288 -5.064 8.194
84 HA3 GLY 6 HA3 GLY 6 5.563 -6.208 7.065
85 H ALA 7 H ALA 7 4.140 -7.723 9.101
86 HA ALA 7 HA ALA 7 1.703 -6.254 9.178
87 HB1 ALA 7 HB1 ALA 7 2.039 -8.785 9.433
88 HB2 ALA 7 HB2 ALA 7 0.833 -8.045 10.485
89 HB3 ALA 7 HB3 ALA 7 2.426 -8.453 11.121
90 H THR 8 H THR 8 4.250 -6.681 11.621
91 HA THR 8 HA THR 8 2.897 -5.310 13.738
92 HB THR 8 HB THR 8 5.082 -5.144 14.763
93 HG1 THR 8 HG1 THR 8 6.442 -6.098 12.570
94 HG21 THR 8 HG21 THR 8 5.537 -7.404 14.919
95 HG22 THR 8 HG22 THR 8 5.413 -7.648 13.176
96 HG23 THR 8 HG23 THR 8 3.952 -7.470 14.147
97 H LEU 9 H LEU 9 5.224 -4.209 11.300
98 HA LEU 9 HA LEU 9 5.233 -1.453 12.081
99 HB2 LEU 9 HB2 LEU 9 6.821 -2.712 10.467
100 HB3 LEU 9 HB3 LEU 9 5.588 -2.443 9.246
101 HG LEU 9 HG LEU 9 6.508 -0.087 10.859
102 HD11 LEU 9 HD11 LEU 9 8.579 -1.276 10.165
103 HD12 LEU 9 HD12 LEU 9 8.387 0.272 9.342
104 HD13 LEU 9 HD13 LEU 9 8.018 -1.230 8.492
105 HD21 LEU 9 HD21 LEU 9 5.632 -0.551 7.989
106 HD22 LEU 9 HD22 LEU 9 6.155 1.008 8.621
107 HD23 LEU 9 HD23 LEU 9 4.703 0.242 9.260
108 H PHE 10 H PHE 10 3.326 -3.283 9.730
109 HA PHE 10 HA PHE 10 1.825 -1.068 8.698
110 HB2 PHE 10 HB2 PHE 10 2.017 -3.396 7.696
111 HB3 PHE 10 HB3 PHE 10 0.896 -3.945 8.938
112 HD1 PHE 10 HD2 PHE 10 -1.439 -3.113 8.988
113 HD2 PHE 10 HD1 PHE 10 1.281 -2.045 5.840
114 HE1 PHE 10 HE2 PHE 10 -3.345 -2.344 7.601
115 HE2 PHE 10 HE1 PHE 10 -0.625 -1.278 4.452
116 HZ PHE 10 HZ PHE 10 -2.937 -1.426 5.332
117 H LYS 11 H LYS 11 0.890 -3.563 11.097
118 HA LYS 11 HA LYS 11 -1.566 -2.343 11.841
119 HB2 LYS 11 HB2 LYS 11 0.295 -4.159 13.396
120 HB3 LYS 11 HB3 LYS 11 -1.329 -3.725 13.924
121 HG2 LYS 11 HG2 LYS 11 -2.236 -4.649 11.793
122 HG3 LYS 11 HG3 LYS 11 -0.608 -5.169 11.359
123 HD2 LYS 11 HD2 LYS 11 -0.522 -6.520 13.458
124 HD3 LYS 11 HD3 LYS 11 -2.199 -6.074 13.775
125 HE2 LYS 11 HE2 LYS 11 -1.864 -7.068 11.062
126 HE3 LYS 11 HE3 LYS 11 -1.324 -8.253 12.253
127 HZ1 LYS 11 HZ1 LYS 11 -3.448 -7.921 13.424
128 HZ2 LYS 11 HZ2 LYS 11 -3.656 -8.535 11.854
129 HZ3 LYS 11 HZ3 LYS 11 -3.963 -6.896 12.175
130 H THR 12 H THR 12 1.738 -1.833 12.944
131 HA THR 12 HA THR 12 0.878 -0.062 15.118
132 HB THR 12 HB THR 12 3.279 0.280 15.490
133 HG1 THR 12 HG1 THR 12 4.722 -0.269 14.023
134 HG21 THR 12 HG21 THR 12 3.854 -2.351 15.393
135 HG22 THR 12 HG22 THR 12 2.106 -2.430 15.170
136 HG23 THR 12 HG23 THR 12 2.778 -1.655 16.604
137 H ARG 13 H ARG 13 1.365 0.275 11.748
138 HA ARG 13 HA ARG 13 1.157 3.203 12.059
139 HB2 ARG 13 HB2 ARG 13 3.430 1.855 10.581
140 HB3 ARG 13 HB3 ARG 13 3.037 3.565 10.431
141 HG2 ARG 13 HG2 ARG 13 3.293 3.765 12.933
142 HG3 ARG 13 HG3 ARG 13 3.881 2.102 12.947
143 HD2 ARG 13 HD2 ARG 13 5.652 2.784 11.297
144 HD3 ARG 13 HD3 ARG 13 5.131 4.456 11.507
145 HE ARG 13 HE ARG 13 5.609 3.733 14.081
146 HH11 ARG 13 HH21 ARG 13 7.346 3.245 11.142
147 HH12 ARG 13 HH22 ARG 13 8.900 3.241 11.907
148 HH21 ARG 13 HH11 ARG 13 7.628 3.733 15.095
149 HH22 ARG 13 HH12 ARG 13 9.059 3.519 14.144
150 H CYS 14 H CYS 14 -0.904 1.661 11.093
151 HA CYS 14 HA CYS 14 -1.193 2.756 8.419
152 HB2 CYS 14 HB2 CYS 14 0.169 0.455 8.353
153 HB3 CYS 14 HB3 CYS 14 -1.456 -0.211 8.410
154 H LEU 15 H LEU 15 -2.414 1.074 11.170
155 HA LEU 15 HA LEU 15 -5.039 0.442 10.208
156 HB2 LEU 15 HB2 LEU 15 -4.294 1.233 13.036
157 HB3 LEU 15 HB3 LEU 15 -5.646 0.217 12.532
158 HG LEU 15 HG LEU 15 -2.703 -0.423 12.277
159 HD11 LEU 15 HD11 LEU 15 -4.725 -2.150 13.644
160 HD12 LEU 15 HD12 LEU 15 -4.161 -0.705 14.481
161 HD13 LEU 15 HD13 LEU 15 -3.008 -1.947 13.993
162 HD21 LEU 15 HD21 LEU 15 -3.791 -2.689 11.505
163 HD22 LEU 15 HD22 LEU 15 -3.576 -1.381 10.343
164 HD23 LEU 15 HD23 LEU 15 -5.158 -1.661 11.074
165 H GLN 16 H GLN 16 -3.626 3.397 11.511
166 HA GLN 16 HA GLN 16 -5.915 4.888 12.098
167 HB2 GLN 16 HB2 GLN 16 -4.589 6.872 11.682
168 HB3 GLN 16 HB3 GLN 16 -3.546 5.647 12.404
169 HG2 GLN 16 HG2 GLN 16 -2.895 4.983 10.030
170 HG3 GLN 16 HG3 GLN 16 -3.710 6.453 9.493
171 HE21 GLN 16 HE21 GLN 16 -1.914 7.771 8.940
172 HE22 GLN 16 HE22 GLN 16 -0.683 8.189 10.030
173 H CYS 17 H CYS 17 -5.206 3.486 9.114
174 HA CYS 17 HA CYS 17 -7.318 5.143 7.853
175 HB2 CYS 17 HB2 CYS 17 -4.552 4.711 6.709
176 HB3 CYS 17 HB3 CYS 17 -5.917 5.291 5.754
177 H HIS 18 H HIS 18 -5.074 2.814 6.337
178 HA HIS 18 HA HIS 18 -7.242 1.331 5.165
179 HB2 HIS 18 HB2 HIS 18 -4.375 0.452 5.657
180 HB3 HIS 18 HB3 HIS 18 -5.519 -0.350 4.586
181 HD1 HIS 18 HD1 HIS 18 -6.083 0.823 2.330
182 HD2 HIS 18 HD2 HIS 18 -3.323 2.904 4.665
183 HE1 HIS 18 HE1 HIS 18 -5.062 2.599 0.829
184 H THR 19 H THR 19 -8.704 0.372 6.537
185 HA THR 19 HA THR 19 -8.139 -0.596 9.148
186 HB THR 19 HB THR 19 -10.417 -0.362 8.804
187 HG1 THR 19 HG1 THR 19 -10.730 -2.293 9.539
188 HG21 THR 19 HG21 THR 19 -9.806 -1.424 6.060
189 HG22 THR 19 HG22 THR 19 -10.580 0.094 6.516
190 HG23 THR 19 HG23 THR 19 -11.465 -1.425 6.658
191 H VAL 20 H VAL 20 -8.132 -2.266 6.009
192 HA VAL 20 HA VAL 20 -7.375 -4.416 5.440
193 HB VAL 20 HB VAL 20 -5.427 -3.698 7.635
194 HG11 VAL 20 HG11 VAL 20 -4.095 -5.325 5.881
195 HG12 VAL 20 HG12 VAL 20 -5.701 -6.052 5.880
196 HG13 VAL 20 HG13 VAL 20 -4.815 -5.877 7.393
197 HG21 VAL 20 HG21 VAL 20 -4.083 -3.396 5.320
198 HG22 VAL 20 HG22 VAL 20 -5.006 -2.084 6.054
199 HG23 VAL 20 HG23 VAL 20 -5.712 -3.036 4.749
200 H GLU 21 H GLU 21 -9.415 -4.163 7.641
201 HA GLU 21 HA GLU 21 -8.780 -6.391 9.449
202 HB2 GLU 21 HB2 GLU 21 -10.248 -4.331 10.002
203 HB3 GLU 21 HB3 GLU 21 -11.499 -5.129 9.051
204 HG2 GLU 21 HG2 GLU 21 -11.292 -7.137 10.514
205 HG3 GLU 21 HG3 GLU 21 -10.114 -6.268 11.495
206 H LYS 22 H LYS 22 -9.066 -6.558 6.378
207 HA LYS 22 HA LYS 22 -9.739 -8.223 4.896
208 HB2 LYS 22 HB2 LYS 22 -9.440 -9.531 7.268
209 HB3 LYS 22 HB3 LYS 22 -11.145 -9.838 6.943
210 HG2 LYS 22 HG2 LYS 22 -10.120 -11.593 5.811
211 HG3 LYS 22 HG3 LYS 22 -10.301 -10.404 4.525
212 HD2 LYS 22 HD2 LYS 22 -7.953 -9.593 5.143
213 HD3 LYS 22 HD3 LYS 22 -7.815 -11.056 6.117
214 HE2 LYS 22 HE2 LYS 22 -8.224 -10.854 3.131
215 HE3 LYS 22 HE3 LYS 22 -6.879 -11.603 3.990
216 HZ1 LYS 22 HZ1 LYS 22 -8.238 -13.368 3.351
217 HZ2 LYS 22 HZ2 LYS 22 -9.670 -12.552 3.764
218 HZ3 LYS 22 HZ3 LYS 22 -8.632 -13.123 4.983
219 H GLY 23 H GLY 23 -11.236 -6.269 4.459
220 HA2 GLY 23 HA2 GLY 23 -13.405 -5.980 3.451
221 HA3 GLY 23 HA3 GLY 23 -14.021 -7.287 4.464
222 H GLY 24 H GLY 24 -12.037 -5.013 6.097
223 HA2 GLY 24 HA2 GLY 24 -14.194 -4.222 7.842
224 HA3 GLY 24 HA3 GLY 24 -12.573 -3.526 7.838
225 HA PRO 25 HA PRO 25 -16.021 -0.676 6.012
226 HB2 PRO 25 HB2 PRO 25 -15.434 1.298 7.946
227 HB3 PRO 25 HB3 PRO 25 -16.865 0.253 7.910
228 HG2 PRO 25 HG2 PRO 25 -14.391 0.015 9.510
229 HG3 PRO 25 HG3 PRO 25 -16.043 -0.498 9.890
230 HD2 PRO 25 HD2 PRO 25 -14.103 -2.272 9.204
231 HD3 PRO 25 HD3 PRO 25 -15.813 -2.530 8.787
232 H HIS 26 H HIS 26 -15.503 1.361 4.911
233 HA HIS 26 HA HIS 26 -12.575 1.636 4.473
234 HB2 HIS 26 HB2 HIS 26 -14.910 2.764 2.901
235 HB3 HIS 26 HB3 HIS 26 -13.212 2.911 2.462
236 HD1 HIS 26 HD1 HIS 26 -11.942 0.644 1.864
237 HD2 HIS 26 HD2 HIS 26 -16.086 0.310 2.214
238 HE1 HIS 26 HE1 HIS 26 -12.577 -1.568 0.802
239 HE2 HIS 26 HE2 HIS 26 -15.095 -1.782 1.011
240 H LYS 27 H LYS 27 -11.485 3.454 5.041
241 HA LYS 27 HA LYS 27 -13.065 5.680 6.260
242 HB2 LYS 27 HB2 LYS 27 -10.192 4.825 6.754
243 HB3 LYS 27 HB3 LYS 27 -10.989 6.198 7.523
244 HG2 LYS 27 HG2 LYS 27 -12.706 4.633 8.442
245 HG3 LYS 27 HG3 LYS 27 -11.793 3.285 7.764
246 HD2 LYS 27 HD2 LYS 27 -9.807 4.021 9.093
247 HD3 LYS 27 HD3 LYS 27 -10.811 5.262 9.842
248 HE2 LYS 27 HE2 LYS 27 -12.146 3.686 10.964
249 HE3 LYS 27 HE3 LYS 27 -11.672 2.376 9.881
250 HZ1 LYS 27 HZ1 LYS 27 -10.583 2.888 12.312
251 HZ2 LYS 27 HZ2 LYS 27 -9.450 3.570 11.246
252 HZ3 LYS 27 HZ3 LYS 27 -9.880 1.933 11.101
253 H VAL 28 H VAL 28 -10.306 7.123 6.148
254 HA VAL 28 HA VAL 28 -10.826 8.647 3.794
255 HB VAL 28 HB VAL 28 -8.286 8.321 5.419
256 HG11 VAL 28 HG11 VAL 28 -8.983 10.116 3.096
257 HG12 VAL 28 HG12 VAL 28 -7.534 9.139 3.333
258 HG13 VAL 28 HG13 VAL 28 -7.781 10.598 4.293
259 HG21 VAL 28 HG21 VAL 28 -10.429 9.326 6.441
260 HG22 VAL 28 HG22 VAL 28 -10.188 10.669 5.324
261 HG23 VAL 28 HG23 VAL 28 -8.964 10.304 6.541
262 H GLY 29 H GLY 29 -8.747 5.845 4.389
263 HA2 GLY 29 HA2 GLY 29 -8.095 5.803 1.471
264 HA3 GLY 29 HA3 GLY 29 -7.077 5.086 2.719
265 HA PRO 30 HA PRO 30 -10.373 2.097 0.854
266 HB2 PRO 30 HB2 PRO 30 -8.580 0.598 -0.640
267 HB3 PRO 30 HB3 PRO 30 -9.615 1.881 -1.286
268 HG2 PRO 30 HG2 PRO 30 -6.741 1.946 -0.577
269 HG3 PRO 30 HG3 PRO 30 -7.609 2.790 -1.868
270 HD2 PRO 30 HD2 PRO 30 -6.803 4.031 0.430
271 HD3 PRO 30 HD3 PRO 30 -8.234 4.539 -0.494
272 H ASN 31 H ASN 31 -10.554 -0.140 1.467
273 HA ASN 31 HA ASN 31 -9.306 -0.899 3.884
274 HB2 ASN 31 HB2 ASN 31 -11.410 -1.883 2.742
275 HB3 ASN 31 HB3 ASN 31 -10.284 -2.913 1.857
276 HD21 ASN 31 HD21 ASN 31 -12.080 -4.151 3.615
277 HD22 ASN 31 HD22 ASN 31 -11.246 -4.723 4.979
278 H LEU 32 H LEU 32 -8.199 -1.084 0.624
279 HA LEU 32 HA LEU 32 -6.095 -1.559 -0.209
280 HB2 LEU 32 HB2 LEU 32 -5.363 -0.844 2.181
281 HB3 LEU 32 HB3 LEU 32 -5.227 -2.569 2.498
282 HG LEU 32 HG LEU 32 -3.580 -2.830 0.729
283 HD11 LEU 32 HD11 LEU 32 -3.996 -1.373 -1.012
284 HD12 LEU 32 HD12 LEU 32 -2.748 -0.451 -0.181
285 HD13 LEU 32 HD13 LEU 32 -4.445 -0.046 0.061
286 HD21 LEU 32 HD21 LEU 32 -3.148 -0.558 2.662
287 HD22 LEU 32 HD22 LEU 32 -1.866 -1.096 1.580
288 HD23 LEU 32 HD23 LEU 32 -2.549 -2.214 2.764
289 H HIS 33 H HIS 33 -8.354 -3.501 0.136
290 HA HIS 33 HA HIS 33 -6.769 -6.031 -0.097
291 HB2 HIS 33 HB2 HIS 33 -9.640 -5.528 0.711
292 HB3 HIS 33 HB3 HIS 33 -9.063 -7.125 0.239
293 HD1 HIS 33 HD1 HIS 33 -6.346 -7.251 1.576
294 HD2 HIS 33 HD2 HIS 33 -9.710 -5.683 3.475
295 HE1 HIS 33 HE1 HIS 33 -5.910 -7.417 4.067
296 HE2 HIS 33 HE2 HIS 33 -7.944 -6.452 5.231
297 H GLY 34 H GLY 34 -8.327 -3.678 -1.907
298 HA2 GLY 34 HA2 GLY 34 -8.983 -5.640 -4.074
299 HA3 GLY 34 HA3 GLY 34 -9.813 -4.102 -3.873
300 H ILE 35 H ILE 35 -6.768 -3.221 -3.201
301 HA ILE 35 HA ILE 35 -6.349 -1.852 -5.646
302 HB ILE 35 HB ILE 35 -4.317 -2.692 -3.553
303 HG12 ILE 35 HG12 ILE 35 -6.220 -0.404 -3.892
304 HG13 ILE 35 HG13 ILE 35 -5.770 -1.276 -2.431
305 HG21 ILE 35 HG21 ILE 35 -2.805 -1.096 -4.481
306 HG22 ILE 35 HG22 ILE 35 -4.043 -0.428 -5.544
307 HG23 ILE 35 HG23 ILE 35 -3.378 -2.027 -5.859
308 HD11 ILE 35 HD11 ILE 35 -3.398 -0.229 -2.846
309 HD12 ILE 35 HD12 ILE 35 -4.667 0.775 -2.143
310 HD13 ILE 35 HD13 ILE 35 -4.284 0.911 -3.859
311 H PHE 36 H PHE 36 -5.369 -5.091 -4.655
312 HA PHE 36 HA PHE 36 -3.786 -5.409 -7.133
313 HB2 PHE 36 HB2 PHE 36 -4.392 -7.369 -4.896
314 HB3 PHE 36 HB3 PHE 36 -3.259 -7.643 -6.220
315 HD1 PHE 36 HD1 PHE 36 -3.921 -5.677 -3.162
316 HD2 PHE 36 HD2 PHE 36 -1.107 -6.515 -6.298
317 HE1 PHE 36 HE1 PHE 36 -2.157 -4.485 -1.895
318 HE2 PHE 36 HE2 PHE 36 0.660 -5.323 -5.028
319 HZ PHE 36 HZ PHE 36 0.131 -4.303 -2.829
320 H GLY 37 H GLY 37 -4.632 -6.271 -8.958
321 HA2 GLY 37 HA2 GLY 37 -5.986 -8.152 -9.932
322 HA3 GLY 37 HA3 GLY 37 -7.231 -7.743 -8.751
323 H ARG 38 H ARG 38 -7.056 -7.664 -11.836
324 HA ARG 38 HA ARG 38 -7.763 -6.249 -13.577
325 HB2 ARG 38 HB2 ARG 38 -9.459 -5.278 -11.263
326 HB3 ARG 38 HB3 ARG 38 -9.748 -4.844 -12.946
327 HG2 ARG 38 HG2 ARG 38 -9.583 -7.725 -12.040
328 HG3 ARG 38 HG3 ARG 38 -11.098 -6.826 -12.018
329 HD2 ARG 38 HD2 ARG 38 -10.621 -6.276 -14.485
330 HD3 ARG 38 HD3 ARG 38 -9.391 -7.537 -14.410
331 HE ARG 38 HE ARG 38 -12.299 -7.960 -14.322
332 HH11 ARG 38 HH21 ARG 38 -9.107 -9.155 -13.788
333 HH12 ARG 38 HH22 ARG 38 -9.573 -10.820 -13.886
334 HH21 ARG 38 HH11 ARG 38 -12.922 -10.126 -14.452
335 HH22 ARG 38 HH12 ARG 38 -11.732 -11.370 -14.261
336 H HIS 39 H HIS 39 -8.282 -3.759 -14.028
337 HA HIS 39 HA HIS 39 -5.892 -2.319 -13.847
338 HB2 HIS 39 HB2 HIS 39 -8.674 -1.108 -13.898
339 HB3 HIS 39 HB3 HIS 39 -7.184 -0.342 -14.447
340 HD1 HIS 39 HD1 HIS 39 -9.333 -0.605 -16.534
341 HD2 HIS 39 HD2 HIS 39 -6.567 -3.645 -15.822
342 HE1 HIS 39 HE1 HIS 39 -9.265 -2.020 -18.635
343 HE2 HIS 39 HE2 HIS 39 -7.584 -3.872 -18.213
344 H SER 40 H SER 40 -6.033 0.064 -12.697
345 HA SER 40 HA SER 40 -5.821 -0.547 -9.883
346 HB2 SER 40 HB2 SER 40 -5.115 1.755 -9.631
347 HB3 SER 40 HB3 SER 40 -4.353 1.097 -11.070
348 HG SER 40 HG SER 40 -6.507 2.895 -10.827
349 H GLY 41 H GLY 41 -6.907 0.800 -8.206
350 HA2 GLY 41 HA2 GLY 41 -8.874 1.438 -7.130
351 HA3 GLY 41 HA3 GLY 41 -9.275 2.280 -8.624
352 H GLN 42 H GLN 42 -9.980 -0.433 -6.635
353 HA GLN 42 HA GLN 42 -12.180 -1.174 -8.466
354 HB2 GLN 42 HB2 GLN 42 -9.752 -2.768 -8.123
355 HB3 GLN 42 HB3 GLN 42 -11.199 -3.667 -7.686
356 HG2 GLN 42 HG2 GLN 42 -10.915 -4.062 -10.007
357 HG3 GLN 42 HG3 GLN 42 -12.197 -2.862 -9.912
358 HE21 GLN 42 HE21 GLN 42 -8.937 -1.759 -9.208
359 HE22 GLN 42 HE22 GLN 42 -8.694 -0.946 -10.674
360 H ALA 43 H ALA 43 -11.482 -0.230 -5.530
361 HA ALA 43 HA ALA 43 -12.513 -2.299 -3.815
362 HB1 ALA 43 HB1 ALA 43 -12.746 -0.504 -2.141
363 HB2 ALA 43 HB2 ALA 43 -12.493 0.706 -3.397
364 HB3 ALA 43 HB3 ALA 43 -11.188 -0.394 -2.960
365 H GLU 44 H GLU 44 -14.598 -2.926 -3.504
366 HA GLU 44 HA GLU 44 -16.732 -1.870 -5.103
367 HB2 GLU 44 HB2 GLU 44 -16.824 -3.614 -2.621
368 HB3 GLU 44 HB3 GLU 44 -18.184 -3.328 -3.707
369 HG2 GLU 44 HG2 GLU 44 -17.328 -5.318 -4.570
370 HG3 GLU 44 HG3 GLU 44 -16.500 -4.121 -5.566
371 H GLY 45 H GLY 45 -15.725 -1.292 -1.758
372 HA2 GLY 45 HA2 GLY 45 -18.024 0.538 -1.358
373 HA3 GLY 45 HA3 GLY 45 -16.882 0.034 -0.112
374 H TYR 46 H TYR 46 -14.538 0.791 -0.592
375 HA TYR 46 HA TYR 46 -14.474 3.629 -0.626
376 HB2 TYR 46 HB2 TYR 46 -12.656 2.328 0.359
377 HB3 TYR 46 HB3 TYR 46 -12.259 1.644 -1.216
378 HD1 TYR 46 HD1 TYR 46 -12.209 4.717 0.848
379 HD2 TYR 46 HD2 TYR 46 -11.142 2.931 -2.906
380 HE1 TYR 46 HE1 TYR 46 -10.767 6.662 0.331
381 HE2 TYR 46 HE2 TYR 46 -9.695 4.867 -3.429
382 HH TYR 46 HH TYR 46 -8.895 7.248 -1.060
383 H SER 47 H SER 47 -13.825 5.105 -2.250
384 HA SER 47 HA SER 47 -13.909 4.027 -5.042
385 HB2 SER 47 HB2 SER 47 -14.866 6.728 -4.049
386 HB3 SER 47 HB3 SER 47 -14.934 6.159 -5.714
387 HG SER 47 HG SER 47 -16.901 5.883 -4.451
388 H TYR 48 H TYR 48 -12.384 4.915 -6.503
389 HA TYR 48 HA TYR 48 -10.167 6.417 -5.181
390 HB2 TYR 48 HB2 TYR 48 -10.196 4.754 -7.716
391 HB3 TYR 48 HB3 TYR 48 -8.798 5.643 -7.117
392 HD1 TYR 48 HD2 TYR 48 -11.248 2.985 -6.176
393 HD2 TYR 48 HD1 TYR 48 -7.383 4.723 -5.479
394 HE1 TYR 48 HE2 TYR 48 -10.656 1.089 -4.695
395 HE2 TYR 48 HE1 TYR 48 -6.796 2.824 -3.997
396 HH TYR 48 HH TYR 48 -8.780 -0.014 -3.778
397 H THR 49 H THR 49 -9.157 8.142 -6.384
398 HA THR 49 HA THR 49 -11.008 9.940 -7.620
399 HB THR 49 HB THR 49 -7.981 9.896 -7.738
400 HG1 THR 49 HG1 THR 49 -8.514 10.101 -5.653
401 HG21 THR 49 HG21 THR 49 -8.476 11.471 -9.340
402 HG22 THR 49 HG22 THR 49 -8.607 12.490 -7.907
403 HG23 THR 49 HG23 THR 49 -10.060 11.825 -8.652
404 H ASP 50 H ASP 50 -11.325 10.408 -9.820
405 HA ASP 50 HA ASP 50 -11.296 8.353 -11.694
406 HB2 ASP 50 HB2 ASP 50 -11.046 11.338 -12.140
407 HB3 ASP 50 HB3 ASP 50 -11.346 10.180 -13.436
408 H ALA 51 H ALA 51 -8.650 10.489 -10.797
409 HA ALA 51 HA ALA 51 -6.938 10.090 -13.001
410 HB1 ALA 51 HB1 ALA 51 -5.094 10.607 -11.448
411 HB2 ALA 51 HB2 ALA 51 -6.175 10.346 -10.081
412 HB3 ALA 51 HB3 ALA 51 -6.462 11.687 -11.187
413 H ASN 52 H ASN 52 -7.127 8.105 -10.005
414 HA ASN 52 HA ASN 52 -5.163 6.199 -10.894
415 HB2 ASN 52 HB2 ASN 52 -5.923 6.449 -8.521
416 HB3 ASN 52 HB3 ASN 52 -7.456 5.697 -8.976
417 HD21 ASN 52 HD21 ASN 52 -6.946 3.823 -7.556
418 HD22 ASN 52 HD22 ASN 52 -5.812 2.662 -8.048
419 H ILE 53 H ILE 53 -8.715 6.245 -11.120
420 HA ILE 53 HA ILE 53 -8.930 3.658 -12.366
421 HB ILE 53 HB ILE 53 -10.832 6.016 -12.479
422 HG12 ILE 53 HG12 ILE 53 -10.795 3.603 -10.638
423 HG13 ILE 53 HG13 ILE 53 -10.242 5.213 -10.178
424 HG21 ILE 53 HG21 ILE 53 -10.854 3.406 -13.722
425 HG22 ILE 53 HG22 ILE 53 -12.027 4.715 -13.875
426 HG23 ILE 53 HG23 ILE 53 -12.183 3.539 -12.570
427 HD11 ILE 53 HD11 ILE 53 -12.365 5.718 -9.626
428 HD12 ILE 53 HD12 ILE 53 -12.943 4.185 -10.280
429 HD13 ILE 53 HD13 ILE 53 -12.784 5.588 -11.334
430 H LYS 54 H LYS 54 -9.071 6.958 -13.766
431 HA LYS 54 HA LYS 54 -9.342 6.143 -16.462
432 HB2 LYS 54 HB2 LYS 54 -8.064 8.608 -15.262
433 HB3 LYS 54 HB3 LYS 54 -8.342 8.397 -16.989
434 HG2 LYS 54 HG2 LYS 54 -10.770 8.015 -16.493
435 HG3 LYS 54 HG3 LYS 54 -10.443 8.417 -14.807
436 HD2 LYS 54 HD2 LYS 54 -9.598 10.635 -15.504
437 HD3 LYS 54 HD3 LYS 54 -9.952 10.236 -17.185
438 HE2 LYS 54 HE2 LYS 54 -12.132 10.747 -16.931
439 HE3 LYS 54 HE3 LYS 54 -12.258 9.752 -15.481
440 HZ1 LYS 54 HZ1 LYS 54 -12.319 11.604 -14.296
441 HZ2 LYS 54 HZ2 LYS 54 -12.094 12.556 -15.685
442 HZ3 LYS 54 HZ3 LYS 54 -10.750 11.988 -14.814
443 H LYS 55 H LYS 55 -6.474 6.407 -14.433
444 HA LYS 55 HA LYS 55 -4.501 6.310 -16.459
445 HB2 LYS 55 HB2 LYS 55 -4.028 6.657 -14.026
446 HB3 LYS 55 HB3 LYS 55 -4.385 4.954 -13.746
447 HG2 LYS 55 HG2 LYS 55 -2.049 4.956 -13.967
448 HG3 LYS 55 HG3 LYS 55 -2.580 4.523 -15.588
449 HD2 LYS 55 HD2 LYS 55 -2.335 6.852 -16.322
450 HD3 LYS 55 HD3 LYS 55 -1.880 7.334 -14.688
451 HE2 LYS 55 HE2 LYS 55 0.259 6.800 -15.121
452 HE3 LYS 55 HE3 LYS 55 -0.220 5.139 -15.469
453 HZ1 LYS 55 HZ1 LYS 55 0.331 7.330 -17.287
454 HZ2 LYS 55 HZ2 LYS 55 -1.011 6.368 -17.692
455 HZ3 LYS 55 HZ3 LYS 55 0.523 5.659 -17.509
456 H ASN 56 H ASN 56 -6.478 3.751 -15.042
457 HA ASN 56 HA ASN 56 -6.775 1.524 -15.705
458 HB2 ASN 56 HB2 ASN 56 -7.171 2.770 -17.909
459 HB3 ASN 56 HB3 ASN 56 -5.512 2.340 -18.327
460 HD21 ASN 56 HD21 ASN 56 -6.116 -0.232 -16.553
461 HD22 ASN 56 HD22 ASN 56 -6.889 -1.256 -17.665
462 H VAL 57 H VAL 57 -4.619 1.765 -14.144
463 HA VAL 57 HA VAL 57 -2.472 0.228 -15.541
464 HB VAL 57 HB VAL 57 -1.806 2.514 -14.719
465 HG11 VAL 57 HG11 VAL 57 -3.331 2.352 -12.684
466 HG12 VAL 57 HG12 VAL 57 -1.704 2.951 -12.366
467 HG13 VAL 57 HG13 VAL 57 -2.123 1.283 -11.972
468 HG21 VAL 57 HG21 VAL 57 0.200 1.482 -14.689
469 HG22 VAL 57 HG22 VAL 57 -0.548 -0.047 -14.226
470 HG23 VAL 57 HG23 VAL 57 -0.074 1.114 -12.986
471 H LEU 58 H LEU 58 -1.632 -1.583 -14.438
472 HA LEU 58 HA LEU 58 -3.466 -2.710 -12.417
473 HB2 LEU 58 HB2 LEU 58 -2.788 -4.112 -14.322
474 HB3 LEU 58 HB3 LEU 58 -1.097 -3.922 -13.869
475 HG LEU 58 HG LEU 58 -1.573 -5.008 -11.688
476 HD11 LEU 58 HD11 LEU 58 -3.814 -4.608 -11.196
477 HD12 LEU 58 HD12 LEU 58 -3.877 -6.283 -11.746
478 HD13 LEU 58 HD13 LEU 58 -4.343 -4.977 -12.837
479 HD21 LEU 58 HD21 LEU 58 -2.341 -7.284 -12.795
480 HD22 LEU 58 HD22 LEU 58 -0.776 -6.584 -13.208
481 HD23 LEU 58 HD23 LEU 58 -2.150 -6.378 -14.296
482 H TRP 59 H TRP 59 -2.945 -2.882 -10.279
483 HA TRP 59 HA TRP 59 -0.367 -1.764 -9.376
484 HB2 TRP 59 HB2 TRP 59 -2.927 -2.583 -8.027
485 HB3 TRP 59 HB3 TRP 59 -1.466 -2.376 -7.071
486 HD1 TRP 59 HD1 TRP 59 -4.304 -0.501 -8.305
487 HE1 TRP 59 HE1 TRP 59 -3.893 2.051 -8.195
488 HE3 TRP 59 HE3 TRP 59 0.718 -0.497 -7.512
489 HZ2 TRP 59 HZ2 TRP 59 -1.694 3.836 -7.800
490 HZ3 TRP 59 HZ3 TRP 59 1.957 1.629 -7.252
491 HH2 TRP 59 HH2 TRP 59 0.757 3.798 -7.400
492 H ASP 60 H ASP 60 1.239 -2.998 -8.349
493 HA ASP 60 HA ASP 60 0.743 -5.837 -7.772
494 HB2 ASP 60 HB2 ASP 60 1.298 -5.835 -10.189
495 HB3 ASP 60 HB3 ASP 60 2.822 -5.028 -9.827
496 H GLU 61 H GLU 61 2.993 -6.824 -7.091
497 HA GLU 61 HA GLU 61 3.912 -5.319 -4.847
498 HB2 GLU 61 HB2 GLU 61 5.237 -7.624 -6.309
499 HB3 GLU 61 HB3 GLU 61 5.725 -7.021 -4.726
500 HG2 GLU 61 HG2 GLU 61 4.291 -8.771 -4.139
501 HG3 GLU 61 HG3 GLU 61 3.202 -7.386 -4.105
502 H ASN 62 H ASN 62 5.196 -5.687 -8.131
503 HA ASN 62 HA ASN 62 7.643 -4.256 -7.676
504 HB2 ASN 62 HB2 ASN 62 5.996 -4.591 -10.201
505 HB3 ASN 62 HB3 ASN 62 7.635 -3.944 -10.153
506 HD21 ASN 62 HD21 ASN 62 8.818 -5.682 -8.245
507 HD22 ASN 62 HD22 ASN 62 8.831 -7.260 -8.870
508 H ASN 63 H ASN 63 4.431 -3.227 -8.792
509 HA ASN 63 HA ASN 63 5.074 -0.474 -9.206
510 HB2 ASN 63 HB2 ASN 63 2.447 -1.741 -8.371
511 HB3 ASN 63 HB3 ASN 63 2.630 -0.095 -8.976
512 HD21 ASN 63 HD21 ASN 63 1.067 -2.229 -10.285
513 HD22 ASN 63 HD22 ASN 63 1.782 -2.485 -11.803
514 H MET 64 H MET 64 4.040 -2.277 -6.342
515 HA MET 64 HA MET 64 3.604 -0.056 -4.610
516 HB2 MET 64 HB2 MET 64 4.471 -2.904 -4.099
517 HB3 MET 64 HB3 MET 64 4.197 -1.760 -2.789
518 HG2 MET 64 HG2 MET 64 2.263 -3.376 -3.828
519 HG3 MET 64 HG3 MET 64 1.934 -1.842 -3.026
520 HE1 MET 64 HE1 MET 64 0.484 0.027 -4.241
521 HE2 MET 64 HE2 MET 64 -0.155 -1.585 -3.922
522 HE3 MET 64 HE3 MET 64 -0.508 -0.792 -5.456
523 H SER 65 H SER 65 6.579 -1.841 -5.419
524 HA SER 65 HA SER 65 8.256 -0.607 -3.474
525 HB2 SER 65 HB2 SER 65 9.036 -1.481 -6.270
526 HB3 SER 65 HB3 SER 65 10.120 -1.272 -4.899
527 HG SER 65 HG SER 65 8.186 -3.247 -5.392
528 H GLU 66 H GLU 66 7.444 0.354 -6.798
529 HA GLU 66 HA GLU 66 9.048 2.756 -6.740
530 HB2 GLU 66 HB2 GLU 66 6.699 1.956 -8.487
531 HB3 GLU 66 HB3 GLU 66 7.729 3.355 -8.770
532 HG2 GLU 66 HG2 GLU 66 8.706 0.489 -8.641
533 HG3 GLU 66 HG3 GLU 66 8.438 1.399 -10.127
534 H TYR 67 H TYR 67 5.778 1.927 -5.795
535 HA TYR 67 HA TYR 67 4.633 4.491 -5.726
536 HB2 TYR 67 HB2 TYR 67 3.253 2.549 -5.404
537 HB3 TYR 67 HB3 TYR 67 4.155 2.088 -3.964
538 HD1 TYR 67 HD2 TYR 67 2.780 5.441 -5.031
539 HD2 TYR 67 HD1 TYR 67 2.697 2.239 -2.163
540 HE1 TYR 67 HE2 TYR 67 1.246 6.755 -3.606
541 HE2 TYR 67 HE1 TYR 67 1.152 3.555 -0.746
542 HH TYR 67 HH TYR 67 -0.003 5.432 -0.538
543 H LEU 68 H LEU 68 6.493 2.833 -3.179
544 HA LEU 68 HA LEU 68 6.282 5.089 -1.363
545 HB2 LEU 68 HB2 LEU 68 7.876 2.538 -1.400
546 HB3 LEU 68 HB3 LEU 68 8.178 3.780 -0.184
547 HG LEU 68 HG LEU 68 5.889 3.688 0.578
548 HD11 LEU 68 HD11 LEU 68 4.674 3.387 -1.438
549 HD12 LEU 68 HD12 LEU 68 4.360 1.935 -0.488
550 HD13 LEU 68 HD13 LEU 68 5.520 1.887 -1.817
551 HD21 LEU 68 HD21 LEU 68 6.682 1.975 1.831
552 HD22 LEU 68 HD22 LEU 68 7.564 1.285 0.469
553 HD23 LEU 68 HD23 LEU 68 5.855 0.913 0.692
554 H THR 69 H THR 69 8.696 3.968 -3.678
555 HA THR 69 HA THR 69 10.910 5.495 -2.940
556 HB THR 69 HB THR 69 11.499 5.542 -5.369
557 HG1 THR 69 HG1 THR 69 9.977 5.315 -6.777
558 HG21 THR 69 HG21 THR 69 10.588 3.098 -3.918
559 HG22 THR 69 HG22 THR 69 12.206 3.546 -4.458
560 HG23 THR 69 HG23 THR 69 11.032 2.926 -5.617
561 H ASN 70 H ASN 70 8.431 6.613 -5.305
562 HA ASN 70 HA ASN 70 8.271 9.243 -4.155
563 HB2 ASN 70 HB2 ASN 70 10.634 9.204 -5.189
564 HB3 ASN 70 HB3 ASN 70 9.816 9.191 -6.751
565 HD21 ASN 70 HD21 ASN 70 10.865 11.402 -7.027
566 HD22 ASN 70 HD22 ASN 70 10.092 12.750 -6.343
567 H HIS 71 H HIS 71 6.037 8.906 -4.562
568 HA HIS 71 HA HIS 71 5.252 8.990 -7.439
569 HB2 HIS 71 HB2 HIS 71 4.154 7.454 -5.112
570 HB3 HIS 71 HB3 HIS 71 3.055 7.977 -6.382
571 HD1 HIS 71 HD1 HIS 71 2.671 5.677 -7.437
572 HD2 HIS 71 HD2 HIS 71 6.711 6.673 -7.179
573 HE1 HIS 71 HE1 HIS 71 3.931 3.931 -8.773
574 HE2 HIS 71 HE2 HIS 71 6.387 4.538 -8.632
575 H ALA 72 H ALA 72 3.202 10.156 -7.802
576 HA ALA 72 HA ALA 72 1.666 11.617 -6.053
577 HB1 ALA 72 HB1 ALA 72 3.059 13.912 -6.405
578 HB2 ALA 72 HB2 ALA 72 4.396 12.767 -6.301
579 HB3 ALA 72 HB3 ALA 72 3.239 12.895 -4.975
580 H LYS 73 H LYS 73 3.775 12.863 -8.644
581 HA LYS 73 HA LYS 73 1.593 14.095 -10.063
582 HB2 LYS 73 HB2 LYS 73 4.350 13.264 -11.023
583 HB3 LYS 73 HB3 LYS 73 3.236 14.285 -11.934
584 HG2 LYS 73 HG2 LYS 73 3.217 15.897 -10.028
585 HG3 LYS 73 HG3 LYS 73 4.428 14.904 -9.216
586 HD2 LYS 73 HD2 LYS 73 5.930 15.196 -11.194
587 HD3 LYS 73 HD3 LYS 73 4.739 16.295 -11.892
588 HE2 LYS 73 HE2 LYS 73 5.792 16.760 -9.110
589 HE3 LYS 73 HE3 LYS 73 6.706 17.309 -10.514
590 HZ1 LYS 73 HZ1 LYS 73 4.687 18.476 -11.265
591 HZ2 LYS 73 HZ2 LYS 73 5.270 19.058 -9.779
592 HZ3 LYS 73 HZ3 LYS 73 3.913 18.036 -9.821
593 H TYR 74 H TYR 74 3.162 10.950 -10.254
594 HA TYR 74 HA TYR 74 1.921 10.070 -12.685
595 HB2 TYR 74 HB2 TYR 74 3.673 8.689 -12.189
596 HB3 TYR 74 HB3 TYR 74 3.434 8.840 -10.450
597 HD1 TYR 74 HD1 TYR 74 1.219 7.711 -13.262
598 HD2 TYR 74 HD2 TYR 74 3.052 6.764 -9.499
599 HE1 TYR 74 HE1 TYR 74 0.027 5.536 -13.231
600 HE2 TYR 74 HE2 TYR 74 1.857 4.587 -9.464
601 HH TYR 74 HH TYR 74 0.690 3.097 -11.880
602 H ILE 75 H ILE 75 0.985 9.647 -9.259
603 HA ILE 75 HA ILE 75 -1.636 8.558 -10.217
604 HB ILE 75 HB ILE 75 -1.637 8.100 -7.524
605 HG12 ILE 75 HG12 ILE 75 1.233 7.699 -8.394
606 HG13 ILE 75 HG13 ILE 75 0.696 9.073 -7.426
607 HG21 ILE 75 HG21 ILE 75 -0.769 6.501 -9.902
608 HG22 ILE 75 HG22 ILE 75 -2.113 6.218 -8.794
609 HG23 ILE 75 HG23 ILE 75 -0.468 5.821 -8.305
610 HD11 ILE 75 HD11 ILE 75 -0.378 6.668 -6.288
611 HD12 ILE 75 HD12 ILE 75 0.749 7.815 -5.564
612 HD13 ILE 75 HD13 ILE 75 1.359 6.462 -6.516
613 HA PRO 76 HA PRO 76 -4.225 11.880 -8.956
614 HB2 PRO 76 HB2 PRO 76 -5.079 10.608 -6.460
615 HB3 PRO 76 HB3 PRO 76 -6.026 10.989 -7.904
616 HG2 PRO 76 HG2 PRO 76 -4.846 8.465 -7.104
617 HG3 PRO 76 HG3 PRO 76 -5.991 8.798 -8.413
618 HD2 PRO 76 HD2 PRO 76 -3.399 8.044 -8.855
619 HD3 PRO 76 HD3 PRO 76 -4.316 9.042 -9.992
620 H GLY 77 H GLY 77 -4.170 13.697 -7.548
621 HA2 GLY 77 HA2 GLY 77 -1.740 14.022 -6.011
622 HA3 GLY 77 HA3 GLY 77 -3.055 15.194 -6.115
623 H THR 78 H THR 78 -3.869 11.963 -5.209
624 HA THR 78 HA THR 78 -5.289 12.485 -2.925
625 HB THR 78 HB THR 78 -4.733 10.207 -4.061
626 HG1 THR 78 HG1 THR 78 -4.752 9.916 -1.303
627 HG21 THR 78 HG21 THR 78 -2.742 10.073 -1.795
628 HG22 THR 78 HG22 THR 78 -2.257 10.502 -3.436
629 HG23 THR 78 HG23 THR 78 -2.975 8.925 -3.113
630 H LYS 79 H LYS 79 -1.746 12.216 -3.109
631 HA LYS 79 HA LYS 79 -0.100 12.809 -1.541
632 HB2 LYS 79 HB2 LYS 79 -1.316 15.008 -1.752
633 HB3 LYS 79 HB3 LYS 79 -2.292 14.541 -0.360
634 HG2 LYS 79 HG2 LYS 79 -0.218 14.286 0.983
635 HG3 LYS 79 HG3 LYS 79 0.725 14.833 -0.403
636 HD2 LYS 79 HD2 LYS 79 -0.601 16.958 -0.401
637 HD3 LYS 79 HD3 LYS 79 -1.392 16.416 1.080
638 HE2 LYS 79 HE2 LYS 79 1.613 16.654 0.805
639 HE3 LYS 79 HE3 LYS 79 0.597 17.951 1.434
640 HZ1 LYS 79 HZ1 LYS 79 0.037 16.738 3.286
641 HZ2 LYS 79 HZ2 LYS 79 1.648 16.253 3.052
642 HZ3 LYS 79 HZ3 LYS 79 0.374 15.243 2.559
643 H MET 80 H MET 80 0.178 10.891 -0.402
644 HA MET 80 HA MET 80 -1.745 10.184 1.717
645 HB2 MET 80 HB2 MET 80 -0.604 8.535 0.087
646 HB3 MET 80 HB3 MET 80 0.830 8.741 1.089
647 HG2 MET 80 HG2 MET 80 -0.203 7.785 2.979
648 HG3 MET 80 HG3 MET 80 -1.826 8.028 2.332
649 HE1 MET 80 HE1 MET 80 1.063 5.322 2.679
650 HE2 MET 80 HE2 MET 80 1.552 6.656 1.635
651 HE3 MET 80 HE3 MET 80 1.341 5.048 0.955
652 H ALA 81 H ALA 81 -1.374 10.464 3.875
653 HA ALA 81 HA ALA 81 0.594 12.321 4.769
654 HB1 ALA 81 HB1 ALA 81 -1.004 12.316 6.368
655 HB2 ALA 81 HB2 ALA 81 -0.146 10.928 7.039
656 HB3 ALA 81 HB3 ALA 81 -1.520 10.679 5.962
657 H PHE 82 H PHE 82 0.625 8.783 4.653
658 HA PHE 82 HA PHE 82 2.765 8.273 6.417
659 HB2 PHE 82 HB2 PHE 82 1.395 6.530 5.230
660 HB3 PHE 82 HB3 PHE 82 2.310 6.884 3.766
661 HD1 PHE 82 HD1 PHE 82 2.552 5.594 7.234
662 HD2 PHE 82 HD2 PHE 82 4.577 6.122 3.480
663 HE1 PHE 82 HE1 PHE 82 4.360 4.075 7.994
664 HE2 PHE 82 HE2 PHE 82 6.383 4.600 4.243
665 HZ PHE 82 HZ PHE 82 6.272 3.579 6.499
666 H GLY 83 H GLY 83 2.871 9.263 2.994
667 HA2 GLY 83 HA2 GLY 83 4.626 10.246 1.779
668 HA3 GLY 83 HA3 GLY 83 5.386 10.612 3.329
669 H GLY 84 H GLY 84 7.345 9.666 3.548
670 HA2 GLY 84 HA2 GLY 84 7.781 7.009 2.233
671 HA3 GLY 84 HA3 GLY 84 9.044 8.230 2.380
672 H LEU 85 H LEU 85 9.437 5.653 3.396
673 HA LEU 85 HA LEU 85 9.095 5.983 6.338
674 HB2 LEU 85 HB2 LEU 85 8.226 3.885 5.357
675 HB3 LEU 85 HB3 LEU 85 9.828 3.522 4.721
676 HG LEU 85 HG LEU 85 10.740 3.384 6.971
677 HD11 LEU 85 HD11 LEU 85 9.630 4.937 8.303
678 HD12 LEU 85 HD12 LEU 85 8.883 3.435 8.847
679 HD13 LEU 85 HD13 LEU 85 8.041 4.473 7.696
680 HD21 LEU 85 HD21 LEU 85 8.106 1.886 6.854
681 HD22 LEU 85 HD22 LEU 85 9.556 1.406 7.739
682 HD23 LEU 85 HD23 LEU 85 9.558 1.401 5.976
683 H LYS 86 H LYS 86 10.859 6.461 7.549
684 HA LYS 86 HA LYS 86 13.376 7.105 6.399
685 HB2 LYS 86 HB2 LYS 86 12.669 6.424 9.268
686 HB3 LYS 86 HB3 LYS 86 14.195 7.148 8.757
687 HG2 LYS 86 HG2 LYS 86 12.916 9.046 7.758
688 HG3 LYS 86 HG3 LYS 86 11.432 8.345 8.406
689 HD2 LYS 86 HD2 LYS 86 12.425 8.465 10.696
690 HD3 LYS 86 HD3 LYS 86 13.826 9.287 10.010
691 HE2 LYS 86 HE2 LYS 86 11.234 10.380 10.707
692 HE3 LYS 86 HE3 LYS 86 12.709 11.229 10.245
693 HZ1 LYS 86 HZ1 LYS 86 10.998 11.697 8.656
694 HZ2 LYS 86 HZ2 LYS 86 10.697 10.043 8.412
695 HZ3 LYS 86 HZ3 LYS 86 12.170 10.724 7.911
696 H LYS 87 H LYS 87 12.230 4.106 7.921
697 HA LYS 87 HA LYS 87 14.903 2.883 7.619
698 HB2 LYS 87 HB2 LYS 87 12.303 1.629 8.543
699 HB3 LYS 87 HB3 LYS 87 13.919 0.949 8.729
700 HG2 LYS 87 HG2 LYS 87 13.010 3.575 9.945
701 HG3 LYS 87 HG3 LYS 87 13.075 2.043 10.815
702 HD2 LYS 87 HD2 LYS 87 15.550 1.944 10.099
703 HD3 LYS 87 HD3 LYS 87 15.370 3.649 9.684
704 HE2 LYS 87 HE2 LYS 87 15.338 2.340 12.363
705 HE3 LYS 87 HE3 LYS 87 16.024 3.892 11.877
706 HZ1 LYS 87 HZ1 LYS 87 13.690 4.681 11.592
707 HZ2 LYS 87 HZ2 LYS 87 14.127 4.336 13.198
708 HZ3 LYS 87 HZ3 LYS 87 13.164 3.244 12.322
709 H GLU 88 H GLU 88 15.360 2.424 5.512
710 HA GLU 88 HA GLU 88 13.377 1.682 3.558
711 HB2 GLU 88 HB2 GLU 88 16.393 1.375 3.552
712 HB3 GLU 88 HB3 GLU 88 15.359 1.099 2.150
713 HG2 GLU 88 HG2 GLU 88 14.522 3.433 2.334
714 HG3 GLU 88 HG3 GLU 88 15.626 3.702 3.684
715 H LYS 89 H LYS 89 15.596 -0.203 5.607
716 HA LYS 89 HA LYS 89 15.174 -2.727 4.355
717 HB2 LYS 89 HB2 LYS 89 16.914 -2.258 6.096
718 HB3 LYS 89 HB3 LYS 89 15.632 -2.220 7.308
719 HG2 LYS 89 HG2 LYS 89 14.997 -4.538 6.683
720 HG3 LYS 89 HG3 LYS 89 16.331 -4.574 5.530
721 HD2 LYS 89 HD2 LYS 89 17.906 -4.092 7.422
722 HD3 LYS 89 HD3 LYS 89 16.545 -4.245 8.535
723 HE2 LYS 89 HE2 LYS 89 16.312 -6.538 7.032
724 HE3 LYS 89 HE3 LYS 89 18.062 -6.340 7.130
725 HZ1 LYS 89 HZ1 LYS 89 16.110 -6.697 9.304
726 HZ2 LYS 89 HZ2 LYS 89 17.578 -5.897 9.611
727 HZ3 LYS 89 HZ3 LYS 89 17.581 -7.500 9.043
728 H ASP 90 H ASP 90 13.485 -1.251 7.130
729 HA ASP 90 HA ASP 90 11.573 -3.358 7.430
730 HB2 ASP 90 HB2 ASP 90 11.405 -0.415 8.139
731 HB3 ASP 90 HB3 ASP 90 10.254 -1.636 8.666
732 H ARG 91 H ARG 91 11.674 -0.442 5.447
733 HA ARG 91 HA ARG 91 9.004 -0.351 4.551
734 HB2 ARG 91 HB2 ARG 91 10.733 1.353 4.009
735 HB3 ARG 91 HB3 ARG 91 11.509 0.197 2.929
736 HG2 ARG 91 HG2 ARG 91 9.362 0.049 1.638
737 HG3 ARG 91 HG3 ARG 91 8.718 1.340 2.652
738 HD2 ARG 91 HD2 ARG 91 11.228 1.555 0.967
739 HD3 ARG 91 HD3 ARG 91 9.654 2.203 0.513
740 HE ARG 91 HE ARG 91 10.459 3.176 3.112
741 HH11 ARG 91 HH21 ARG 91 10.955 3.461 -0.289
742 HH12 ARG 91 HH22 ARG 91 11.447 5.119 -0.212
743 HH21 ARG 91 HH11 ARG 91 11.098 5.340 3.231
744 HH22 ARG 91 HH12 ARG 91 11.527 6.184 1.780
745 H ASN 92 H ASN 92 11.725 -2.304 3.355
746 HA ASN 92 HA ASN 92 10.369 -3.467 1.142
747 HB2 ASN 92 HB2 ASN 92 12.571 -4.582 2.901
748 HB3 ASN 92 HB3 ASN 92 12.069 -5.283 1.364
749 HD21 ASN 92 HD21 ASN 92 14.730 -4.289 1.733
750 HD22 ASN 92 HD22 ASN 92 14.931 -2.921 0.750
751 H ASP 93 H ASP 93 10.611 -4.483 4.544
752 HA ASP 93 HA ASP 93 9.153 -6.926 4.243
753 HB2 ASP 93 HB2 ASP 93 9.478 -5.075 6.622
754 HB3 ASP 93 HB3 ASP 93 8.755 -6.679 6.708
755 H LEU 94 H LEU 94 8.153 -3.594 4.815
756 HA LEU 94 HA LEU 94 5.422 -4.051 5.441
757 HB2 LEU 94 HB2 LEU 94 6.678 -1.869 5.583
758 HB3 LEU 94 HB3 LEU 94 6.542 -1.742 3.836
759 HG LEU 94 HG LEU 94 4.071 -1.866 4.034
760 HD11 LEU 94 HD11 LEU 94 4.821 -2.360 6.858
761 HD12 LEU 94 HD12 LEU 94 3.402 -2.895 5.960
762 HD13 LEU 94 HD13 LEU 94 3.463 -1.260 6.619
763 HD21 LEU 94 HD21 LEU 94 5.804 0.270 4.882
764 HD22 LEU 94 HD22 LEU 94 4.308 0.336 5.814
765 HD23 LEU 94 HD23 LEU 94 4.252 0.380 4.051
766 H ILE 95 H ILE 95 7.010 -3.586 2.293
767 HA ILE 95 HA ILE 95 4.687 -3.600 0.683
768 HB ILE 95 HB ILE 95 7.427 -4.721 0.029
769 HG12 ILE 95 HG12 ILE 95 6.275 -1.950 -0.440
770 HG13 ILE 95 HG13 ILE 95 7.410 -2.351 0.850
771 HG21 ILE 95 HG21 ILE 95 6.741 -4.149 -2.305
772 HG22 ILE 95 HG22 ILE 95 5.129 -3.768 -1.699
773 HG23 ILE 95 HG23 ILE 95 5.747 -5.416 -1.587
774 HD11 ILE 95 HD11 ILE 95 8.965 -3.237 -0.965
775 HD12 ILE 95 HD12 ILE 95 8.732 -1.489 -0.949
776 HD13 ILE 95 HD13 ILE 95 7.883 -2.481 -2.135
777 H THR 96 H THR 96 6.685 -6.308 1.832
778 HA THR 96 HA THR 96 5.349 -8.396 0.461
779 HB THR 96 HB THR 96 6.463 -8.562 3.275
780 HG1 THR 96 HG1 THR 96 8.429 -8.788 2.356
781 HG21 THR 96 HG21 THR 96 5.233 -10.457 1.613
782 HG22 THR 96 HG22 THR 96 6.189 -10.785 3.058
783 HG23 THR 96 HG23 THR 96 6.962 -10.779 1.473
784 H TYR 97 H TYR 97 4.570 -6.800 3.538
785 HA TYR 97 HA TYR 97 2.457 -8.524 4.334
786 HB2 TYR 97 HB2 TYR 97 3.459 -6.802 5.803
787 HB3 TYR 97 HB3 TYR 97 2.707 -5.543 4.822
788 HD1 TYR 97 HD2 TYR 97 2.068 -8.356 7.140
789 HD2 TYR 97 HD1 TYR 97 0.337 -5.091 4.951
790 HE1 TYR 97 HE2 TYR 97 -0.032 -8.601 8.435
791 HE2 TYR 97 HE1 TYR 97 -1.764 -5.338 6.246
792 HH TYR 97 HH TYR 97 -2.590 -6.250 8.250
793 H LEU 98 H LEU 98 2.394 -5.638 2.221
794 HA LEU 98 HA LEU 98 -0.412 -5.442 1.935
795 HB2 LEU 98 HB2 LEU 98 1.734 -4.917 -0.142
796 HB3 LEU 98 HB3 LEU 98 0.071 -4.346 -0.229
797 HG LEU 98 HG LEU 98 2.068 -3.639 1.940
798 HD11 LEU 98 HD11 LEU 98 1.893 -2.623 -0.612
799 HD12 LEU 98 HD12 LEU 98 2.523 -1.738 0.778
800 HD13 LEU 98 HD13 LEU 98 0.841 -1.531 0.289
801 HD21 LEU 98 HD21 LEU 98 0.020 -3.510 3.047
802 HD22 LEU 98 HD22 LEU 98 -0.870 -3.153 1.566
803 HD23 LEU 98 HD23 LEU 98 0.107 -1.901 2.334
804 H LYS 99 H LYS 99 1.913 -7.507 0.224
805 HA LYS 99 HA LYS 99 0.100 -8.591 -1.684
806 HB2 LYS 99 HB2 LYS 99 2.581 -8.974 -1.675
807 HB3 LYS 99 HB3 LYS 99 2.370 -10.051 -0.295
808 HG2 LYS 99 HG2 LYS 99 0.918 -11.513 -1.616
809 HG3 LYS 99 HG3 LYS 99 1.032 -10.415 -2.991
810 HD2 LYS 99 HD2 LYS 99 2.600 -12.236 -3.337
811 HD3 LYS 99 HD3 LYS 99 3.514 -10.767 -2.999
812 HE2 LYS 99 HE2 LYS 99 2.753 -12.474 -0.672
813 HE3 LYS 99 HE3 LYS 99 4.034 -13.063 -1.729
814 HZ1 LYS 99 HZ1 LYS 99 5.258 -11.780 -0.340
815 HZ2 LYS 99 HZ2 LYS 99 3.982 -10.712 0.003
816 HZ3 LYS 99 HZ3 LYS 99 4.831 -10.581 -1.462
817 H LYS 100 H LYS 100 0.798 -9.488 1.674
818 HA LYS 100 HA LYS 100 -0.841 -11.826 1.768
819 HB2 LYS 100 HB2 LYS 100 0.839 -11.194 3.506
820 HB3 LYS 100 HB3 LYS 100 -0.236 -9.895 4.026
821 HG2 LYS 100 HG2 LYS 100 -1.988 -11.516 4.564
822 HG3 LYS 100 HG3 LYS 100 -0.978 -12.835 3.971
823 HD2 LYS 100 HD2 LYS 100 -0.780 -12.770 6.383
824 HD3 LYS 100 HD3 LYS 100 0.742 -12.205 5.693
825 HE2 LYS 100 HE2 LYS 100 0.315 -9.970 6.246
826 HE3 LYS 100 HE3 LYS 100 -1.425 -10.231 6.368
827 HZ1 LYS 100 HZ1 LYS 100 -0.893 -10.213 8.558
828 HZ2 LYS 100 HZ2 LYS 100 0.683 -10.793 8.310
829 HZ3 LYS 100 HZ3 LYS 100 -0.636 -11.862 8.258
830 H ALA 101 H ALA 101 -1.581 -8.390 2.203
831 HA ALA 101 HA ALA 101 -4.190 -8.683 3.287
832 HB1 ALA 101 HB1 ALA 101 -2.603 -6.561 2.097
833 HB2 ALA 101 HB2 ALA 101 -3.876 -6.451 3.314
834 HB3 ALA 101 HB3 ALA 101 -4.291 -6.444 1.600
835 H THR 102 H THR 102 -3.029 -8.843 -0.050
836 HA THR 102 HA THR 102 -5.831 -9.317 -0.955
837 HB THR 102 HB THR 102 -4.026 -7.673 -2.062
838 HG1 THR 102 HG1 THR 102 -6.284 -8.586 -2.705
839 HG21 THR 102 HG21 THR 102 -2.513 -9.726 -2.405
840 HG22 THR 102 HG22 THR 102 -2.762 -8.673 -3.798
841 HG23 THR 102 HG23 THR 102 -3.644 -10.195 -3.675
842 H GLU 103 H GLU 103 -3.305 -11.078 0.172
843 HA GLU 103 HA GLU 103 -2.549 -13.284 -0.179
844 HB2 GLU 103 HB2 GLU 103 -4.889 -13.590 0.664
845 HB3 GLU 103 HB3 GLU 103 -5.443 -13.647 -1.010
846 HG2 GLU 103 HG2 GLU 103 -3.911 -15.572 -1.416
847 HG3 GLU 103 HG3 GLU 103 -3.475 -15.550 0.294
848 HHA HEC 104 HA HEC 104 -4.005 4.482 -2.215
849 HHB HEC 104 HB HEC 104 0.320 1.171 0.945
850 HHC HEC 104 HC HEC 104 -0.981 4.507 6.192
851 HHD HEC 104 HD HEC 104 -5.283 7.826 2.988
852 HMA1 HEC 104 1HMA HEC 104 -0.571 -0.064 -0.756
853 HMA2 HEC 104 2HMA HEC 104 0.436 0.816 -1.905
854 HMA3 HEC 104 3HMA HEC 104 -1.155 0.232 -2.393
855 HAA1 HEC 104 1HAA HEC 104 -1.563 2.020 -3.763
856 HAA2 HEC 104 2HAA HEC 104 -3.113 2.831 -3.635
857 HBA1 HEC 104 1HBA HEC 104 -1.260 4.789 -2.914
858 HBA2 HEC 104 2HBA HEC 104 -2.121 4.668 -4.447
859 HMB1 HEC 104 1HMB HEC 104 1.967 0.400 3.902
860 HMB2 HEC 104 2HMB HEC 104 1.986 1.009 2.259
861 HMB3 HEC 104 3HMB HEC 104 2.698 1.965 3.542
862 HAB HEC 104 HAB HEC 104 0.360 2.887 6.790
863 HBB1 HEC 104 1HBB HEC 104 1.489 0.221 6.079
864 HBB2 HEC 104 2HBB HEC 104 1.950 1.334 7.364
865 HBB3 HEC 104 3HBB HEC 104 2.450 1.656 5.719
866 HMC1 HEC 104 1HMC HEC 104 -1.143 7.064 6.822
867 HMC2 HEC 104 2HMC HEC 104 -2.255 6.075 7.768
868 HMC3 HEC 104 3HMC HEC 104 -2.679 7.740 7.365
869 HAC HEC 104 HAC HEC 104 -5.857 7.619 5.158
870 HBC1 HEC 104 1HBC HEC 104 -5.286 9.805 5.289
871 HBC2 HEC 104 2HBC HEC 104 -4.901 9.493 6.982
872 HBC3 HEC 104 3HBC HEC 104 -3.631 9.417 5.761
873 HMD1 HEC 104 1HMD HEC 104 -6.514 8.621 -0.564
874 HMD2 HEC 104 2HMD HEC 104 -5.356 9.180 0.645
875 HMD3 HEC 104 3HMD HEC 104 -6.878 8.447 1.153
876 HAD1 HEC 104 1HAD HEC 104 -7.090 6.610 -1.625
877 HAD2 HEC 104 2HAD HEC 104 -6.225 5.175 -2.153
878 HBD1 HEC 104 1HBD HEC 104 -6.145 7.880 -3.224
879 HBD2 HEC 104 2HBD HEC 104 -4.531 7.274 -2.854
Start of MODEL 14
1 H1 THR -5 H1 THR -5 15.882 -7.975 -7.045
2 H2 THR -5 H2 THR -5 14.739 -8.685 -8.085
3 H3 THR -5 H3 THR -5 14.471 -8.668 -6.407
4 HA THR -5 HA THR -5 14.454 -6.355 -8.261
5 HB THR -5 HB THR -5 12.184 -6.332 -6.676
6 HG1 THR -5 HG1 THR -5 12.925 -8.523 -6.075
7 HG21 THR -5 HG21 THR -5 12.525 -7.659 -9.379
8 HG22 THR -5 HG22 THR -5 12.360 -5.922 -9.121
9 HG23 THR -5 HG23 THR -5 11.026 -7.003 -8.721
10 H GLU -4 H GLU -4 13.971 -4.294 -7.123
11 HA GLU -4 HA GLU -4 15.774 -3.773 -4.995
12 HB2 GLU -4 HB2 GLU -4 14.814 -2.039 -6.524
13 HB3 GLU -4 HB3 GLU -4 13.272 -2.202 -5.682
14 HG2 GLU -4 HG2 GLU -4 14.437 -0.327 -4.704
15 HG3 GLU -4 HG3 GLU -4 14.484 -1.648 -3.537
16 H PHE -3 H PHE -3 12.392 -4.756 -4.975
17 HA PHE -3 HA PHE -3 12.305 -4.479 -2.020
18 HB2 PHE -3 HB2 PHE -3 10.295 -3.676 -2.895
19 HB3 PHE -3 HB3 PHE -3 10.255 -4.885 -4.177
20 HD1 PHE -3 HD2 PHE -3 10.887 -5.483 -0.546
21 HD2 PHE -3 HD1 PHE -3 8.136 -5.893 -3.820
22 HE1 PHE -3 HE2 PHE -3 9.442 -6.935 0.846
23 HE2 PHE -3 HE1 PHE -3 6.690 -7.343 -2.423
24 HZ PHE -3 HZ PHE -3 7.343 -7.863 -0.088
25 H LYS -2 H LYS -2 12.719 -6.217 -0.760
26 HA LYS -2 HA LYS -2 12.697 -8.914 -2.027
27 HB2 LYS -2 HB2 LYS -2 14.856 -8.072 -1.030
28 HB3 LYS -2 HB3 LYS -2 14.058 -8.066 0.543
29 HG2 LYS -2 HG2 LYS -2 13.568 -10.489 0.279
30 HG3 LYS -2 HG3 LYS -2 14.440 -10.479 -1.254
31 HD2 LYS -2 HD2 LYS -2 16.474 -9.676 -0.044
32 HD3 LYS -2 HD3 LYS -2 15.593 -9.833 1.475
33 HE2 LYS -2 HE2 LYS -2 15.607 -12.206 -0.327
34 HE3 LYS -2 HE3 LYS -2 17.115 -11.819 0.500
35 HZ1 LYS -2 HZ1 LYS -2 16.020 -13.168 2.000
36 HZ2 LYS -2 HZ2 LYS -2 14.493 -12.510 1.657
37 HZ3 LYS -2 HZ3 LYS -2 15.623 -11.618 2.561
38 H ALA -1 H ALA -1 11.152 -10.334 -1.347
39 HA ALA -1 HA ALA -1 9.170 -9.530 0.589
40 HB1 ALA -1 HB1 ALA -1 8.254 -10.992 -0.949
41 HB2 ALA -1 HB2 ALA -1 8.634 -12.129 0.344
42 HB3 ALA -1 HB3 ALA -1 9.715 -11.976 -1.041
43 H GLY 1 H GLY 1 9.989 -9.264 2.658
44 HA2 GLY 1 HA2 GLY 1 11.811 -11.250 3.818
45 HA3 GLY 1 HA3 GLY 1 11.165 -9.830 4.644
46 H SER 2 H SER 2 9.695 -10.270 6.210
47 HA SER 2 HA SER 2 8.110 -12.802 5.968
48 HB2 SER 2 HB2 SER 2 9.069 -11.430 8.497
49 HB3 SER 2 HB3 SER 2 8.113 -12.907 8.426
50 HG SER 2 HG SER 2 10.457 -13.168 8.635
51 H ALA 3 H ALA 3 5.902 -12.604 6.242
52 HA ALA 3 HA ALA 3 4.738 -9.964 6.071
53 HB1 ALA 3 HB1 ALA 3 3.644 -11.882 5.023
54 HB2 ALA 3 HB2 ALA 3 2.572 -11.183 6.235
55 HB3 ALA 3 HB3 ALA 3 3.460 -12.664 6.593
56 H LYS 4 H LYS 4 5.217 -12.281 8.687
57 HA LYS 4 HA LYS 4 3.506 -11.119 10.629
58 HB2 LYS 4 HB2 LYS 4 6.210 -12.405 11.103
59 HB3 LYS 4 HB3 LYS 4 4.888 -12.272 12.260
60 HG2 LYS 4 HG2 LYS 4 3.463 -13.588 10.641
61 HG3 LYS 4 HG3 LYS 4 4.929 -13.872 9.702
62 HD2 LYS 4 HD2 LYS 4 4.581 -14.617 12.623
63 HD3 LYS 4 HD3 LYS 4 4.437 -15.745 11.273
64 HE2 LYS 4 HE2 LYS 4 6.817 -14.802 10.630
65 HE3 LYS 4 HE3 LYS 4 6.878 -14.366 12.337
66 HZ1 LYS 4 HZ1 LYS 4 6.469 -17.065 11.181
67 HZ2 LYS 4 HZ2 LYS 4 6.247 -16.709 12.827
68 HZ3 LYS 4 HZ3 LYS 4 7.780 -16.533 12.116
69 H LYS 5 H LYS 5 6.947 -10.533 9.971
70 HA LYS 5 HA LYS 5 7.319 -8.508 11.941
71 HB2 LYS 5 HB2 LYS 5 8.706 -8.926 9.278
72 HB3 LYS 5 HB3 LYS 5 9.272 -7.834 10.539
73 HG2 LYS 5 HG2 LYS 5 9.364 -9.769 12.118
74 HG3 LYS 5 HG3 LYS 5 8.931 -10.834 10.782
75 HD2 LYS 5 HD2 LYS 5 10.945 -10.031 9.541
76 HD3 LYS 5 HD3 LYS 5 11.400 -9.084 10.958
77 HE2 LYS 5 HE2 LYS 5 12.352 -10.896 11.888
78 HE3 LYS 5 HE3 LYS 5 10.817 -11.760 11.803
79 HZ1 LYS 5 HZ1 LYS 5 12.862 -12.662 10.533
80 HZ2 LYS 5 HZ2 LYS 5 12.469 -11.472 9.386
81 HZ3 LYS 5 HZ3 LYS 5 11.342 -12.680 9.780
82 H GLY 6 H GLY 6 6.374 -8.272 8.510
83 HA2 GLY 6 HA2 GLY 6 6.257 -5.409 8.440
84 HA3 GLY 6 HA3 GLY 6 5.417 -6.484 7.325
85 H ALA 7 H ALA 7 3.935 -7.882 9.416
86 HA ALA 7 HA ALA 7 1.608 -6.260 9.525
87 HB1 ALA 7 HB1 ALA 7 0.749 -8.233 10.182
88 HB2 ALA 7 HB2 ALA 7 1.576 -8.072 11.732
89 HB3 ALA 7 HB3 ALA 7 2.379 -8.877 10.383
90 H THR 8 H THR 8 4.226 -6.716 11.877
91 HA THR 8 HA THR 8 3.026 -5.261 14.022
92 HB THR 8 HB THR 8 5.268 -5.105 14.915
93 HG1 THR 8 HG1 THR 8 5.877 -5.037 12.279
94 HG21 THR 8 HG21 THR 8 5.188 -7.652 13.300
95 HG22 THR 8 HG22 THR 8 4.150 -7.382 14.700
96 HG23 THR 8 HG23 THR 8 5.903 -7.409 14.893
97 H LEU 9 H LEU 9 5.218 -4.249 11.425
98 HA LEU 9 HA LEU 9 5.324 -1.472 12.129
99 HB2 LEU 9 HB2 LEU 9 6.785 -2.771 10.459
100 HB3 LEU 9 HB3 LEU 9 5.466 -2.543 9.318
101 HG LEU 9 HG LEU 9 5.576 -0.061 9.839
102 HD11 LEU 9 HD11 LEU 9 8.303 0.064 10.598
103 HD12 LEU 9 HD12 LEU 9 7.526 -1.046 11.726
104 HD13 LEU 9 HD13 LEU 9 6.907 0.594 11.534
105 HD21 LEU 9 HD21 LEU 9 8.168 -0.289 8.737
106 HD22 LEU 9 HD22 LEU 9 6.647 -0.113 7.864
107 HD23 LEU 9 HD23 LEU 9 7.281 -1.720 8.215
108 H PHE 10 H PHE 10 3.240 -3.314 9.948
109 HA PHE 10 HA PHE 10 1.711 -1.093 8.968
110 HB2 PHE 10 HB2 PHE 10 1.801 -3.363 7.920
111 HB3 PHE 10 HB3 PHE 10 0.869 -3.993 9.273
112 HD1 PHE 10 HD2 PHE 10 -1.483 -3.330 9.608
113 HD2 PHE 10 HD1 PHE 10 0.776 -1.982 6.212
114 HE1 PHE 10 HE2 PHE 10 -3.584 -2.653 8.480
115 HE2 PHE 10 HE1 PHE 10 -1.326 -1.308 5.083
116 HZ PHE 10 HZ PHE 10 -3.505 -1.646 6.216
117 H LYS 11 H LYS 11 0.847 -3.559 11.424
118 HA LYS 11 HA LYS 11 -1.569 -2.324 12.241
119 HB2 LYS 11 HB2 LYS 11 0.347 -4.100 13.776
120 HB3 LYS 11 HB3 LYS 11 -1.270 -3.674 14.330
121 HG2 LYS 11 HG2 LYS 11 -2.211 -4.643 12.236
122 HG3 LYS 11 HG3 LYS 11 -0.588 -5.150 11.773
123 HD2 LYS 11 HD2 LYS 11 -0.441 -6.470 13.890
124 HD3 LYS 11 HD3 LYS 11 -2.117 -6.040 14.234
125 HE2 LYS 11 HE2 LYS 11 -2.593 -6.991 11.849
126 HE3 LYS 11 HE3 LYS 11 -1.032 -7.790 12.039
127 HZ1 LYS 11 HZ1 LYS 11 -2.170 -9.348 13.121
128 HZ2 LYS 11 HZ2 LYS 11 -3.547 -8.368 13.292
129 HZ3 LYS 11 HZ3 LYS 11 -2.271 -8.247 14.408
130 H THR 12 H THR 12 1.765 -1.775 13.229
131 HA THR 12 HA THR 12 0.969 0.015 15.406
132 HB THR 12 HB THR 12 3.372 0.380 15.695
133 HG1 THR 12 HG1 THR 12 4.764 -0.761 14.200
134 HG21 THR 12 HG21 THR 12 2.920 -1.574 16.809
135 HG22 THR 12 HG22 THR 12 4.000 -2.229 15.580
136 HG23 THR 12 HG23 THR 12 2.253 -2.359 15.379
137 H ARG 13 H ARG 13 1.278 0.342 12.020
138 HA ARG 13 HA ARG 13 1.064 3.268 12.323
139 HB2 ARG 13 HB2 ARG 13 3.319 1.933 10.812
140 HB3 ARG 13 HB3 ARG 13 2.891 3.630 10.619
141 HG2 ARG 13 HG2 ARG 13 3.200 3.898 13.117
142 HG3 ARG 13 HG3 ARG 13 3.842 2.255 13.146
143 HD2 ARG 13 HD2 ARG 13 5.531 2.964 11.416
144 HD3 ARG 13 HD3 ARG 13 4.972 4.622 11.634
145 HE ARG 13 HE ARG 13 6.720 3.190 13.432
146 HH11 ARG 13 HH21 ARG 13 4.121 5.447 13.222
147 HH12 ARG 13 HH22 ARG 13 4.529 6.255 14.700
148 HH21 ARG 13 HH11 ARG 13 7.267 4.232 15.360
149 HH22 ARG 13 HH12 ARG 13 6.310 5.567 15.909
150 H CYS 14 H CYS 14 -0.977 1.612 11.381
151 HA CYS 14 HA CYS 14 -1.340 2.743 8.721
152 HB2 CYS 14 HB2 CYS 14 0.057 0.438 8.666
153 HB3 CYS 14 HB3 CYS 14 -1.574 -0.216 8.657
154 H LEU 15 H LEU 15 -2.486 1.105 11.506
155 HA LEU 15 HA LEU 15 -5.101 0.356 10.597
156 HB2 LEU 15 HB2 LEU 15 -4.334 1.255 13.389
157 HB3 LEU 15 HB3 LEU 15 -5.681 0.206 12.940
158 HG LEU 15 HG LEU 15 -2.730 -0.409 12.679
159 HD11 LEU 15 HD11 LEU 15 -4.958 -1.718 14.267
160 HD12 LEU 15 HD12 LEU 15 -3.693 -0.688 14.937
161 HD13 LEU 15 HD13 LEU 15 -3.277 -2.247 14.227
162 HD21 LEU 15 HD21 LEU 15 -3.793 -2.709 11.976
163 HD22 LEU 15 HD22 LEU 15 -3.604 -1.432 10.774
164 HD23 LEU 15 HD23 LEU 15 -5.176 -1.714 11.525
165 H GLN 16 H GLN 16 -3.741 3.409 11.670
166 HA GLN 16 HA GLN 16 -6.174 4.791 12.204
167 HB2 GLN 16 HB2 GLN 16 -4.871 6.817 12.018
168 HB3 GLN 16 HB3 GLN 16 -3.858 5.589 12.777
169 HG2 GLN 16 HG2 GLN 16 -2.942 5.057 10.478
170 HG3 GLN 16 HG3 GLN 16 -3.796 6.481 9.885
171 HE21 GLN 16 HE21 GLN 16 -2.051 7.919 9.514
172 HE22 GLN 16 HE22 GLN 16 -0.951 8.394 10.716
173 H CYS 17 H CYS 17 -5.568 3.307 9.379
174 HA CYS 17 HA CYS 17 -7.367 5.120 7.933
175 HB2 CYS 17 HB2 CYS 17 -4.495 4.722 7.090
176 HB3 CYS 17 HB3 CYS 17 -5.745 5.239 5.958
177 H HIS 18 H HIS 18 -4.993 2.630 6.892
178 HA HIS 18 HA HIS 18 -7.126 1.263 5.404
179 HB2 HIS 18 HB2 HIS 18 -4.239 0.482 5.909
180 HB3 HIS 18 HB3 HIS 18 -5.337 -0.373 4.832
181 HD1 HIS 18 HD1 HIS 18 -5.917 0.764 2.561
182 HD2 HIS 18 HD2 HIS 18 -3.310 2.970 4.944
183 HE1 HIS 18 HE1 HIS 18 -4.930 2.566 1.070
184 H THR 19 H THR 19 -8.497 -0.094 6.469
185 HA THR 19 HA THR 19 -7.534 -1.383 8.969
186 HB THR 19 HB THR 19 -10.329 -1.335 7.780
187 HG1 THR 19 HG1 THR 19 -10.244 0.116 9.917
188 HG21 THR 19 HG21 THR 19 -10.577 -1.663 10.479
189 HG22 THR 19 HG22 THR 19 -9.086 -2.551 10.164
190 HG23 THR 19 HG23 THR 19 -10.571 -2.989 9.317
191 H VAL 20 H VAL 20 -6.779 -3.457 8.777
192 HA VAL 20 HA VAL 20 -7.699 -5.057 6.431
193 HB VAL 20 HB VAL 20 -5.120 -5.304 7.979
194 HG11 VAL 20 HG11 VAL 20 -5.327 -6.351 5.242
195 HG12 VAL 20 HG12 VAL 20 -6.384 -7.168 6.392
196 HG13 VAL 20 HG13 VAL 20 -4.646 -7.106 6.683
197 HG21 VAL 20 HG21 VAL 20 -5.051 -3.218 6.820
198 HG22 VAL 20 HG22 VAL 20 -5.845 -3.904 5.402
199 HG23 VAL 20 HG23 VAL 20 -4.185 -4.360 5.792
200 H GLU 21 H GLU 21 -9.517 -5.408 8.201
201 HA GLU 21 HA GLU 21 -8.756 -7.512 10.141
202 HB2 GLU 21 HB2 GLU 21 -11.417 -6.167 9.571
203 HB3 GLU 21 HB3 GLU 21 -11.149 -7.366 10.836
204 HG2 GLU 21 HG2 GLU 21 -9.436 -5.891 11.852
205 HG3 GLU 21 HG3 GLU 21 -9.757 -4.682 10.611
206 H LYS 22 H LYS 22 -8.910 -7.674 7.051
207 HA LYS 22 HA LYS 22 -9.439 -9.334 5.491
208 HB2 LYS 22 HB2 LYS 22 -10.330 -11.004 7.860
209 HB3 LYS 22 HB3 LYS 22 -9.803 -11.574 6.280
210 HG2 LYS 22 HG2 LYS 22 -7.673 -11.610 6.985
211 HG3 LYS 22 HG3 LYS 22 -7.754 -9.882 7.328
212 HD2 LYS 22 HD2 LYS 22 -7.183 -10.986 9.390
213 HD3 LYS 22 HD3 LYS 22 -8.863 -10.465 9.525
214 HE2 LYS 22 HE2 LYS 22 -9.441 -12.596 9.957
215 HE3 LYS 22 HE3 LYS 22 -8.927 -13.026 8.326
216 HZ1 LYS 22 HZ1 LYS 22 -7.232 -14.132 9.181
217 HZ2 LYS 22 HZ2 LYS 22 -7.740 -13.737 10.753
218 HZ3 LYS 22 HZ3 LYS 22 -6.651 -12.725 9.930
219 H GLY 23 H GLY 23 -11.306 -7.336 5.989
220 HA2 GLY 23 HA2 GLY 23 -13.515 -7.566 4.683
221 HA3 GLY 23 HA3 GLY 23 -13.923 -8.778 5.899
222 H GLY 24 H GLY 24 -12.243 -5.676 6.388
223 HA2 GLY 24 HA2 GLY 24 -14.401 -4.960 8.328
224 HA3 GLY 24 HA3 GLY 24 -12.748 -4.350 8.392
225 HA PRO 25 HA PRO 25 -15.866 -1.511 6.041
226 HB2 PRO 25 HB2 PRO 25 -15.643 0.537 7.934
227 HB3 PRO 25 HB3 PRO 25 -17.002 -0.590 7.787
228 HG2 PRO 25 HG2 PRO 25 -14.715 -0.619 9.668
229 HG3 PRO 25 HG3 PRO 25 -16.388 -1.149 9.907
230 HD2 PRO 25 HD2 PRO 25 -14.348 -2.910 9.548
231 HD3 PRO 25 HD3 PRO 25 -16.002 -3.243 8.986
232 H HIS 26 H HIS 26 -15.231 0.611 5.095
233 HA HIS 26 HA HIS 26 -12.267 0.840 4.975
234 HB2 HIS 26 HB2 HIS 26 -14.359 2.157 3.216
235 HB3 HIS 26 HB3 HIS 26 -12.621 2.124 2.939
236 HD1 HIS 26 HD1 HIS 26 -11.596 -0.024 1.981
237 HD2 HIS 26 HD2 HIS 26 -15.681 -0.365 2.755
238 HE1 HIS 26 HE1 HIS 26 -12.356 -2.178 0.886
239 HE2 HIS 26 HE2 HIS 26 -14.840 -2.397 1.354
240 H LYS 27 H LYS 27 -11.213 2.688 5.626
241 HA LYS 27 HA LYS 27 -12.898 4.805 6.892
242 HB2 LYS 27 HB2 LYS 27 -9.979 4.088 7.336
243 HB3 LYS 27 HB3 LYS 27 -10.846 5.379 8.167
244 HG2 LYS 27 HG2 LYS 27 -12.469 3.684 9.023
245 HG3 LYS 27 HG3 LYS 27 -11.485 2.419 8.285
246 HD2 LYS 27 HD2 LYS 27 -9.537 3.202 9.638
247 HD3 LYS 27 HD3 LYS 27 -10.597 4.362 10.437
248 HE2 LYS 27 HE2 LYS 27 -11.638 1.606 10.412
249 HE3 LYS 27 HE3 LYS 27 -10.143 1.804 11.327
250 HZ1 LYS 27 HZ1 LYS 27 -11.363 2.648 12.952
251 HZ2 LYS 27 HZ2 LYS 27 -12.766 2.636 11.995
252 HZ3 LYS 27 HZ3 LYS 27 -11.722 3.976 11.960
253 H VAL 28 H VAL 28 -10.209 6.394 6.822
254 HA VAL 28 HA VAL 28 -10.833 8.007 4.560
255 HB VAL 28 HB VAL 28 -8.241 7.683 6.103
256 HG11 VAL 28 HG11 VAL 28 -9.025 9.484 3.826
257 HG12 VAL 28 HG12 VAL 28 -7.503 8.635 4.096
258 HG13 VAL 28 HG13 VAL 28 -7.897 10.064 5.053
259 HG21 VAL 28 HG21 VAL 28 -9.012 9.976 6.952
260 HG22 VAL 28 HG22 VAL 28 -9.941 8.586 7.513
261 HG23 VAL 28 HG23 VAL 28 -10.573 9.606 6.221
262 H GLY 29 H GLY 29 -8.583 5.298 4.967
263 HA2 GLY 29 HA2 GLY 29 -8.025 5.416 2.035
264 HA3 GLY 29 HA3 GLY 29 -6.962 4.657 3.219
265 HA PRO 30 HA PRO 30 -10.273 1.720 1.242
266 HB2 PRO 30 HB2 PRO 30 -8.446 0.322 -0.327
267 HB3 PRO 30 HB3 PRO 30 -9.549 1.580 -0.911
268 HG2 PRO 30 HG2 PRO 30 -6.666 1.753 -0.242
269 HG3 PRO 30 HG3 PRO 30 -7.592 2.595 -1.495
270 HD2 PRO 30 HD2 PRO 30 -6.814 3.823 0.804
271 HD3 PRO 30 HD3 PRO 30 -8.318 4.251 -0.042
272 H ASN 31 H ASN 31 -10.387 -0.572 1.697
273 HA ASN 31 HA ASN 31 -9.243 -1.434 4.109
274 HB2 ASN 31 HB2 ASN 31 -11.183 -2.507 2.920
275 HB3 ASN 31 HB3 ASN 31 -10.032 -3.243 1.805
276 HD21 ASN 31 HD21 ASN 31 -11.708 -4.821 3.544
277 HD22 ASN 31 HD22 ASN 31 -10.705 -5.609 4.664
278 H LEU 32 H LEU 32 -7.944 -1.570 0.857
279 HA LEU 32 HA LEU 32 -5.776 -2.036 0.118
280 HB2 LEU 32 HB2 LEU 32 -5.223 -0.867 2.386
281 HB3 LEU 32 HB3 LEU 32 -4.927 -2.498 2.978
282 HG LEU 32 HG LEU 32 -3.284 -2.859 1.159
283 HD11 LEU 32 HD11 LEU 32 -4.359 -0.208 0.351
284 HD12 LEU 32 HD12 LEU 32 -3.689 -1.499 -0.644
285 HD13 LEU 32 HD13 LEU 32 -2.613 -0.395 0.210
286 HD21 LEU 32 HD21 LEU 32 -3.066 -0.826 3.282
287 HD22 LEU 32 HD22 LEU 32 -1.868 -0.645 2.000
288 HD23 LEU 32 HD23 LEU 32 -1.984 -2.162 2.892
289 H HIS 33 H HIS 33 -7.896 -4.091 1.138
290 HA HIS 33 HA HIS 33 -6.135 -6.449 1.467
291 HB2 HIS 33 HB2 HIS 33 -8.655 -5.789 2.476
292 HB3 HIS 33 HB3 HIS 33 -8.984 -7.016 1.251
293 HD1 HIS 33 HD1 HIS 33 -6.053 -6.659 3.660
294 HD2 HIS 33 HD2 HIS 33 -9.015 -9.408 2.639
295 HE1 HIS 33 HE1 HIS 33 -5.563 -8.756 4.989
296 HE2 HIS 33 HE2 HIS 33 -7.381 -10.432 4.398
297 H GLY 34 H GLY 34 -7.739 -4.728 -0.989
298 HA2 GLY 34 HA2 GLY 34 -7.103 -6.892 -2.908
299 HA3 GLY 34 HA3 GLY 34 -8.771 -6.318 -2.873
300 H ILE 35 H ILE 35 -6.062 -4.148 -2.282
301 HA ILE 35 HA ILE 35 -6.946 -2.281 -4.245
302 HB ILE 35 HB ILE 35 -5.355 -1.849 -2.268
303 HG12 ILE 35 HG12 ILE 35 -4.533 -0.775 -4.977
304 HG13 ILE 35 HG13 ILE 35 -5.944 -0.215 -4.076
305 HG21 ILE 35 HG21 ILE 35 -3.292 -2.700 -4.328
306 HG22 ILE 35 HG22 ILE 35 -3.710 -3.635 -2.891
307 HG23 ILE 35 HG23 ILE 35 -2.970 -2.040 -2.728
308 HD11 ILE 35 HD11 ILE 35 -4.481 0.413 -2.187
309 HD12 ILE 35 HD12 ILE 35 -4.015 1.253 -3.666
310 HD13 ILE 35 HD13 ILE 35 -3.076 -0.131 -3.104
311 H PHE 36 H PHE 36 -5.089 -5.170 -4.532
312 HA PHE 36 HA PHE 36 -3.939 -4.384 -7.129
313 HB2 PHE 36 HB2 PHE 36 -3.878 -7.000 -5.600
314 HB3 PHE 36 HB3 PHE 36 -3.005 -6.694 -7.100
315 HD1 PHE 36 HD2 PHE 36 -3.249 -5.828 -3.507
316 HD2 PHE 36 HD1 PHE 36 -1.060 -5.248 -7.160
317 HE1 PHE 36 HE2 PHE 36 -1.399 -4.786 -2.234
318 HE2 PHE 36 HE1 PHE 36 0.790 -4.205 -5.880
319 HZ PHE 36 HZ PHE 36 0.623 -3.978 -3.417
320 H GLY 37 H GLY 37 -4.909 -4.793 -9.044
321 HA2 GLY 37 HA2 GLY 37 -6.654 -7.074 -9.482
322 HA3 GLY 37 HA3 GLY 37 -7.552 -5.555 -9.410
323 H ARG 38 H ARG 38 -7.816 -6.555 -11.811
324 HA ARG 38 HA ARG 38 -5.715 -6.327 -13.687
325 HB2 ARG 38 HB2 ARG 38 -7.422 -6.203 -15.387
326 HB3 ARG 38 HB3 ARG 38 -8.022 -7.271 -14.117
327 HG2 ARG 38 HG2 ARG 38 -9.159 -5.211 -13.115
328 HG3 ARG 38 HG3 ARG 38 -8.782 -4.393 -14.631
329 HD2 ARG 38 HD2 ARG 38 -10.951 -5.242 -14.982
330 HD3 ARG 38 HD3 ARG 38 -9.904 -6.414 -15.782
331 HE ARG 38 HE ARG 38 -10.497 -7.078 -12.995
332 HH11 ARG 38 HH21 ARG 38 -11.431 -7.269 -16.309
333 HH12 ARG 38 HH22 ARG 38 -12.370 -8.708 -16.099
334 HH21 ARG 38 HH11 ARG 38 -11.718 -8.956 -12.703
335 HH22 ARG 38 HH12 ARG 38 -12.533 -9.664 -14.057
336 H HIS 39 H HIS 39 -8.051 -3.839 -12.629
337 HA HIS 39 HA HIS 39 -6.196 -1.768 -13.762
338 HB2 HIS 39 HB2 HIS 39 -9.209 -1.587 -13.387
339 HB3 HIS 39 HB3 HIS 39 -8.175 -0.321 -14.042
340 HD1 HIS 39 HD1 HIS 39 -10.475 -1.489 -15.741
341 HD2 HIS 39 HD2 HIS 39 -6.555 -2.897 -15.891
342 HE1 HIS 39 HE1 HIS 39 -10.210 -2.640 -17.983
343 HE2 HIS 39 HE2 HIS 39 -7.827 -3.500 -18.084
344 H SER 40 H SER 40 -5.692 -0.029 -12.341
345 HA SER 40 HA SER 40 -5.911 -0.575 -9.550
346 HB2 SER 40 HB2 SER 40 -4.938 1.623 -9.227
347 HB3 SER 40 HB3 SER 40 -4.145 0.861 -10.596
348 HG SER 40 HG SER 40 -6.341 2.156 -11.415
349 H GLY 41 H GLY 41 -7.043 0.811 -7.936
350 HA2 GLY 41 HA2 GLY 41 -8.969 1.886 -7.120
351 HA3 GLY 41 HA3 GLY 41 -9.250 2.490 -8.751
352 H GLN 42 H GLN 42 -9.502 -0.534 -6.834
353 HA GLN 42 HA GLN 42 -11.920 -1.206 -8.480
354 HB2 GLN 42 HB2 GLN 42 -10.198 -3.339 -7.249
355 HB3 GLN 42 HB3 GLN 42 -11.301 -3.456 -8.619
356 HG2 GLN 42 HG2 GLN 42 -9.431 -3.293 -9.892
357 HG3 GLN 42 HG3 GLN 42 -9.493 -1.576 -9.499
358 HE21 GLN 42 HE21 GLN 42 -7.723 -0.744 -8.354
359 HE22 GLN 42 HE22 GLN 42 -6.547 -1.689 -7.579
360 H ALA 43 H ALA 43 -10.966 -0.354 -5.413
361 HA ALA 43 HA ALA 43 -12.203 -2.258 -3.725
362 HB1 ALA 43 HB1 ALA 43 -12.150 -0.633 -2.035
363 HB2 ALA 43 HB2 ALA 43 -12.437 0.692 -3.164
364 HB3 ALA 43 HB3 ALA 43 -10.863 -0.104 -3.117
365 H GLU 44 H GLU 44 -14.279 -2.933 -3.652
366 HA GLU 44 HA GLU 44 -16.368 -1.666 -5.184
367 HB2 GLU 44 HB2 GLU 44 -16.494 -3.781 -3.014
368 HB3 GLU 44 HB3 GLU 44 -17.855 -3.314 -4.035
369 HG2 GLU 44 HG2 GLU 44 -16.535 -3.932 -6.046
370 HG3 GLU 44 HG3 GLU 44 -15.217 -4.459 -4.998
371 H GLY 45 H GLY 45 -15.486 -1.626 -1.751
372 HA2 GLY 45 HA2 GLY 45 -17.811 0.074 -1.103
373 HA3 GLY 45 HA3 GLY 45 -16.605 -0.511 0.045
374 H TYR 46 H TYR 46 -14.327 0.419 -0.375
375 HA TYR 46 HA TYR 46 -14.383 3.239 -0.103
376 HB2 TYR 46 HB2 TYR 46 -12.459 2.038 0.683
377 HB3 TYR 46 HB3 TYR 46 -12.160 1.349 -0.910
378 HD1 TYR 46 HD1 TYR 46 -12.081 4.476 1.093
379 HD2 TYR 46 HD2 TYR 46 -11.055 2.584 -2.624
380 HE1 TYR 46 HE1 TYR 46 -10.672 6.420 0.491
381 HE2 TYR 46 HE2 TYR 46 -9.645 4.521 -3.229
382 HH TYR 46 HH TYR 46 -8.994 6.573 -2.654
383 H SER 47 H SER 47 -13.909 4.917 -1.599
384 HA SER 47 HA SER 47 -14.156 4.109 -4.472
385 HB2 SER 47 HB2 SER 47 -15.287 6.238 -4.855
386 HB3 SER 47 HB3 SER 47 -16.112 5.359 -3.571
387 HG SER 47 HG SER 47 -15.520 6.839 -2.187
388 H TYR 48 H TYR 48 -12.910 5.304 -5.994
389 HA TYR 48 HA TYR 48 -10.525 6.647 -4.796
390 HB2 TYR 48 HB2 TYR 48 -10.891 5.302 -7.492
391 HB3 TYR 48 HB3 TYR 48 -9.415 6.111 -6.964
392 HD1 TYR 48 HD2 TYR 48 -11.791 3.383 -6.048
393 HD2 TYR 48 HD1 TYR 48 -7.823 4.973 -5.645
394 HE1 TYR 48 HE2 TYR 48 -11.086 1.325 -4.869
395 HE2 TYR 48 HE1 TYR 48 -7.117 2.912 -4.459
396 HH TYR 48 HH TYR 48 -8.843 0.088 -4.501
397 H THR 49 H THR 49 -9.703 8.545 -5.946
398 HA THR 49 HA THR 49 -11.726 10.444 -6.606
399 HB THR 49 HB THR 49 -9.994 11.902 -6.571
400 HG1 THR 49 HG1 THR 49 -9.199 11.957 -8.501
401 HG21 THR 49 HG21 THR 49 -8.124 9.538 -6.345
402 HG22 THR 49 HG22 THR 49 -9.187 10.028 -5.021
403 HG23 THR 49 HG23 THR 49 -7.954 11.137 -5.618
404 H ASP 50 H ASP 50 -10.897 7.778 -8.296
405 HA ASP 50 HA ASP 50 -11.645 7.114 -10.438
406 HB2 ASP 50 HB2 ASP 50 -13.085 9.350 -10.202
407 HB3 ASP 50 HB3 ASP 50 -11.916 9.938 -11.385
408 H ALA 51 H ALA 51 -9.312 9.638 -9.848
409 HA ALA 51 HA ALA 51 -8.026 9.624 -12.404
410 HB1 ALA 51 HB1 ALA 51 -6.601 11.090 -11.422
411 HB2 ALA 51 HB2 ALA 51 -6.224 9.974 -10.113
412 HB3 ALA 51 HB3 ALA 51 -7.663 10.982 -10.019
413 H ASN 52 H ASN 52 -7.568 7.642 -9.492
414 HA ASN 52 HA ASN 52 -5.282 6.173 -10.326
415 HB2 ASN 52 HB2 ASN 52 -6.244 6.059 -8.051
416 HB3 ASN 52 HB3 ASN 52 -7.642 5.193 -8.693
417 HD21 ASN 52 HD21 ASN 52 -7.140 3.247 -7.475
418 HD22 ASN 52 HD22 ASN 52 -5.819 2.264 -7.874
419 H ILE 53 H ILE 53 -8.737 5.561 -10.929
420 HA ILE 53 HA ILE 53 -8.351 3.096 -12.345
421 HB ILE 53 HB ILE 53 -10.609 5.104 -12.585
422 HG12 ILE 53 HG12 ILE 53 -10.368 2.620 -10.857
423 HG13 ILE 53 HG13 ILE 53 -10.151 4.267 -10.263
424 HG21 ILE 53 HG21 ILE 53 -11.496 2.452 -12.947
425 HG22 ILE 53 HG22 ILE 53 -10.031 2.600 -13.919
426 HG23 ILE 53 HG23 ILE 53 -11.378 3.709 -14.178
427 HD11 ILE 53 HD11 ILE 53 -12.431 3.645 -9.802
428 HD12 ILE 53 HD12 ILE 53 -12.663 3.065 -11.452
429 HD13 ILE 53 HD13 ILE 53 -12.465 4.790 -11.144
430 H LYS 54 H LYS 54 -8.601 6.469 -13.487
431 HA LYS 54 HA LYS 54 -8.653 5.914 -16.261
432 HB2 LYS 54 HB2 LYS 54 -7.488 8.266 -14.753
433 HB3 LYS 54 HB3 LYS 54 -7.702 8.223 -16.501
434 HG2 LYS 54 HG2 LYS 54 -10.133 7.790 -16.164
435 HG3 LYS 54 HG3 LYS 54 -9.892 7.956 -14.426
436 HD2 LYS 54 HD2 LYS 54 -9.003 10.258 -14.808
437 HD3 LYS 54 HD3 LYS 54 -9.383 10.086 -16.522
438 HE2 LYS 54 HE2 LYS 54 -11.722 9.326 -15.147
439 HE3 LYS 54 HE3 LYS 54 -11.144 10.780 -14.334
440 HZ1 LYS 54 HZ1 LYS 54 -12.504 10.647 -16.725
441 HZ2 LYS 54 HZ2 LYS 54 -10.904 11.027 -17.150
442 HZ3 LYS 54 HZ3 LYS 54 -11.751 12.012 -16.056
443 H LYS 55 H LYS 55 -5.900 6.160 -14.042
444 HA LYS 55 HA LYS 55 -3.845 6.163 -16.018
445 HB2 LYS 55 HB2 LYS 55 -3.783 4.936 -13.244
446 HB3 LYS 55 HB3 LYS 55 -2.373 5.327 -14.226
447 HG2 LYS 55 HG2 LYS 55 -4.432 7.372 -13.360
448 HG3 LYS 55 HG3 LYS 55 -2.935 7.066 -12.484
449 HD2 LYS 55 HD2 LYS 55 -1.752 7.496 -14.743
450 HD3 LYS 55 HD3 LYS 55 -3.285 8.200 -15.259
451 HE2 LYS 55 HE2 LYS 55 -2.889 9.339 -12.767
452 HE3 LYS 55 HE3 LYS 55 -1.263 9.289 -13.447
453 HZ1 LYS 55 HZ1 LYS 55 -3.605 10.319 -14.941
454 HZ2 LYS 55 HZ2 LYS 55 -1.962 10.487 -15.337
455 HZ3 LYS 55 HZ3 LYS 55 -2.606 11.313 -13.999
456 H ASN 56 H ASN 56 -5.688 3.505 -14.570
457 HA ASN 56 HA ASN 56 -5.723 1.218 -15.118
458 HB2 ASN 56 HB2 ASN 56 -6.438 2.266 -17.307
459 HB3 ASN 56 HB3 ASN 56 -4.751 2.200 -17.819
460 HD21 ASN 56 HD21 ASN 56 -7.390 0.060 -16.624
461 HD22 ASN 56 HD22 ASN 56 -6.852 -1.316 -17.459
462 H VAL 57 H VAL 57 -3.402 2.163 -13.856
463 HA VAL 57 HA VAL 57 -1.029 1.213 -15.252
464 HB VAL 57 HB VAL 57 -0.547 2.938 -13.753
465 HG11 VAL 57 HG11 VAL 57 -2.338 3.375 -12.404
466 HG12 VAL 57 HG12 VAL 57 -1.433 2.414 -11.234
467 HG13 VAL 57 HG13 VAL 57 -2.713 1.665 -12.186
468 HG21 VAL 57 HG21 VAL 57 0.860 0.823 -13.395
469 HG22 VAL 57 HG22 VAL 57 -0.117 0.546 -11.951
470 HG23 VAL 57 HG23 VAL 57 0.873 1.998 -12.083
471 H LEU 58 H LEU 58 -3.485 -0.348 -13.428
472 HA LEU 58 HA LEU 58 -3.593 -2.516 -12.517
473 HB2 LEU 58 HB2 LEU 58 -3.120 -3.358 -14.693
474 HB3 LEU 58 HB3 LEU 58 -1.457 -2.787 -14.647
475 HG LEU 58 HG LEU 58 -0.891 -4.458 -12.948
476 HD11 LEU 58 HD11 LEU 58 -3.831 -5.151 -13.139
477 HD12 LEU 58 HD12 LEU 58 -2.975 -4.554 -11.716
478 HD13 LEU 58 HD13 LEU 58 -2.632 -6.166 -12.340
479 HD21 LEU 58 HD21 LEU 58 -2.505 -5.924 -15.023
480 HD22 LEU 58 HD22 LEU 58 -0.928 -6.343 -14.353
481 HD23 LEU 58 HD23 LEU 58 -1.077 -4.999 -15.485
482 H TRP 59 H TRP 59 -2.960 -2.170 -10.380
483 HA TRP 59 HA TRP 59 -0.304 -1.515 -9.562
484 HB2 TRP 59 HB2 TRP 59 -2.686 -2.659 -8.116
485 HB3 TRP 59 HB3 TRP 59 -1.143 -2.463 -7.295
486 HD1 TRP 59 HD1 TRP 59 -4.172 -0.632 -8.223
487 HE1 TRP 59 HE1 TRP 59 -3.911 1.900 -7.773
488 HE3 TRP 59 HE3 TRP 59 0.840 -0.439 -7.390
489 HZ2 TRP 59 HZ2 TRP 59 -1.834 3.740 -7.121
490 HZ3 TRP 59 HZ3 TRP 59 1.942 1.707 -6.843
491 HH2 TRP 59 HH2 TRP 59 0.613 3.800 -6.701
492 H ASP 60 H ASP 60 1.436 -2.757 -9.073
493 HA ASP 60 HA ASP 60 1.126 -5.705 -8.924
494 HB2 ASP 60 HB2 ASP 60 3.068 -4.263 -10.760
495 HB3 ASP 60 HB3 ASP 60 3.074 -5.997 -10.448
496 H GLU 61 H GLU 61 3.313 -6.653 -8.155
497 HA GLU 61 HA GLU 61 4.109 -5.312 -5.766
498 HB2 GLU 61 HB2 GLU 61 5.588 -7.435 -7.354
499 HB3 GLU 61 HB3 GLU 61 5.932 -6.982 -5.683
500 HG2 GLU 61 HG2 GLU 61 3.629 -7.631 -5.043
501 HG3 GLU 61 HG3 GLU 61 3.318 -8.126 -6.708
502 H ASN 62 H ASN 62 5.479 -5.378 -9.025
503 HA ASN 62 HA ASN 62 7.861 -3.883 -8.362
504 HB2 ASN 62 HB2 ASN 62 6.418 -4.312 -10.990
505 HB3 ASN 62 HB3 ASN 62 7.990 -3.527 -10.842
506 HD21 ASN 62 HD21 ASN 62 7.691 -5.972 -12.308
507 HD22 ASN 62 HD22 ASN 62 8.509 -7.201 -11.473
508 H ASN 63 H ASN 63 4.677 -2.964 -9.653
509 HA ASN 63 HA ASN 63 5.208 -0.226 -10.144
510 HB2 ASN 63 HB2 ASN 63 2.649 -1.505 -9.140
511 HB3 ASN 63 HB3 ASN 63 2.768 0.121 -9.808
512 HD21 ASN 63 HD21 ASN 63 1.096 -1.760 -11.071
513 HD22 ASN 63 HD22 ASN 63 1.770 -2.196 -12.564
514 H MET 64 H MET 64 4.294 -1.884 -7.149
515 HA MET 64 HA MET 64 3.864 0.422 -5.552
516 HB2 MET 64 HB2 MET 64 4.808 -2.367 -4.881
517 HB3 MET 64 HB3 MET 64 4.511 -1.147 -3.641
518 HG2 MET 64 HG2 MET 64 2.469 -1.990 -5.716
519 HG3 MET 64 HG3 MET 64 2.535 -2.637 -4.077
520 HE1 MET 64 HE1 MET 64 -0.570 -0.472 -4.088
521 HE2 MET 64 HE2 MET 64 0.137 -1.560 -2.895
522 HE3 MET 64 HE3 MET 64 0.163 -1.997 -4.601
523 H SER 65 H SER 65 6.869 -1.308 -6.350
524 HA SER 65 HA SER 65 8.553 0.115 -4.531
525 HB2 SER 65 HB2 SER 65 9.300 -0.995 -7.251
526 HB3 SER 65 HB3 SER 65 10.405 -0.639 -5.926
527 HG SER 65 HG SER 65 9.323 -2.900 -6.344
528 H GLU 66 H GLU 66 7.644 0.775 -7.906
529 HA GLU 66 HA GLU 66 9.239 3.166 -8.128
530 HB2 GLU 66 HB2 GLU 66 6.808 2.231 -9.680
531 HB3 GLU 66 HB3 GLU 66 7.821 3.598 -10.135
532 HG2 GLU 66 HG2 GLU 66 9.788 2.084 -10.237
533 HG3 GLU 66 HG3 GLU 66 8.734 0.722 -9.857
534 H TYR 67 H TYR 67 5.944 2.496 -7.082
535 HA TYR 67 HA TYR 67 4.899 5.125 -7.105
536 HB2 TYR 67 HB2 TYR 67 3.299 3.515 -6.639
537 HB3 TYR 67 HB3 TYR 67 4.346 2.647 -5.520
538 HD1 TYR 67 HD2 TYR 67 3.230 6.217 -5.773
539 HD2 TYR 67 HD1 TYR 67 3.452 2.666 -3.373
540 HE1 TYR 67 HE2 TYR 67 2.212 7.440 -3.867
541 HE2 TYR 67 HE1 TYR 67 2.436 3.885 -1.468
542 HH TYR 67 HH TYR 67 2.356 6.488 -0.791
543 H LEU 68 H LEU 68 6.597 3.424 -4.453
544 HA LEU 68 HA LEU 68 6.527 5.653 -2.659
545 HB2 LEU 68 HB2 LEU 68 8.419 3.294 -2.832
546 HB3 LEU 68 HB3 LEU 68 8.329 4.405 -1.471
547 HG LEU 68 HG LEU 68 6.002 2.765 -2.510
548 HD11 LEU 68 HD11 LEU 68 6.824 2.160 0.184
549 HD12 LEU 68 HD12 LEU 68 8.194 1.965 -0.909
550 HD13 LEU 68 HD13 LEU 68 6.698 1.077 -1.201
551 HD21 LEU 68 HD21 LEU 68 5.283 3.506 -0.036
552 HD22 LEU 68 HD22 LEU 68 4.958 4.522 -1.441
553 HD23 LEU 68 HD23 LEU 68 6.349 4.860 -0.411
554 H THR 69 H THR 69 8.915 4.589 -5.049
555 HA THR 69 HA THR 69 10.872 6.599 -4.379
556 HB THR 69 HB THR 69 11.938 5.985 -6.484
557 HG1 THR 69 HG1 THR 69 9.543 5.732 -7.338
558 HG21 THR 69 HG21 THR 69 11.308 3.299 -6.118
559 HG22 THR 69 HG22 THR 69 10.975 4.030 -4.547
560 HG23 THR 69 HG23 THR 69 12.574 4.191 -5.274
561 H ASN 70 H ASN 70 8.111 6.505 -6.581
562 HA ASN 70 HA ASN 70 8.395 9.449 -6.920
563 HB2 ASN 70 HB2 ASN 70 9.370 8.266 -8.923
564 HB3 ASN 70 HB3 ASN 70 7.776 7.571 -9.219
565 HD21 ASN 70 HD21 ASN 70 9.370 10.775 -8.776
566 HD22 ASN 70 HD22 ASN 70 8.313 11.609 -9.811
567 H HIS 71 H HIS 71 6.501 10.254 -6.124
568 HA HIS 71 HA HIS 71 3.970 8.933 -6.963
569 HB2 HIS 71 HB2 HIS 71 3.145 9.405 -4.562
570 HB3 HIS 71 HB3 HIS 71 4.212 8.021 -4.794
571 HD1 HIS 71 HD1 HIS 71 3.939 11.212 -2.993
572 HD2 HIS 71 HD2 HIS 71 7.013 8.602 -4.059
573 HE1 HIS 71 HE1 HIS 71 5.941 11.844 -1.572
574 HE2 HIS 71 HE2 HIS 71 7.817 10.260 -2.213
575 H ALA 72 H ALA 72 2.401 10.396 -7.499
576 HA ALA 72 HA ALA 72 1.708 12.825 -6.470
577 HB1 ALA 72 HB1 ALA 72 3.075 14.352 -8.187
578 HB2 ALA 72 HB2 ALA 72 4.264 13.062 -8.006
579 HB3 ALA 72 HB3 ALA 72 3.717 13.965 -6.594
580 H LYS 73 H LYS 73 2.746 13.418 -9.692
581 HA LYS 73 HA LYS 73 0.093 13.578 -10.725
582 HB2 LYS 73 HB2 LYS 73 2.729 13.206 -12.182
583 HB3 LYS 73 HB3 LYS 73 1.207 13.649 -12.957
584 HG2 LYS 73 HG2 LYS 73 1.086 15.661 -11.485
585 HG3 LYS 73 HG3 LYS 73 2.668 15.240 -10.830
586 HD2 LYS 73 HD2 LYS 73 3.605 15.340 -13.145
587 HD3 LYS 73 HD3 LYS 73 2.033 15.893 -13.721
588 HE2 LYS 73 HE2 LYS 73 3.381 17.334 -11.455
589 HE3 LYS 73 HE3 LYS 73 3.863 17.669 -13.118
590 HZ1 LYS 73 HZ1 LYS 73 1.094 17.636 -13.081
591 HZ2 LYS 73 HZ2 LYS 73 2.109 18.984 -13.278
592 HZ3 LYS 73 HZ3 LYS 73 1.566 18.545 -11.730
593 H TYR 74 H TYR 74 2.399 10.944 -10.568
594 HA TYR 74 HA TYR 74 1.331 9.151 -12.445
595 HB2 TYR 74 HB2 TYR 74 3.314 8.446 -11.450
596 HB3 TYR 74 HB3 TYR 74 2.753 8.831 -9.825
597 HD1 TYR 74 HD2 TYR 74 1.149 6.832 -12.564
598 HD2 TYR 74 HD1 TYR 74 2.784 6.866 -8.596
599 HE1 TYR 74 HE2 TYR 74 0.418 4.481 -12.242
600 HE2 TYR 74 HE1 TYR 74 2.062 4.521 -8.275
601 HH TYR 74 HH TYR 74 -0.172 3.023 -10.078
602 H ILE 75 H ILE 75 0.308 9.650 -9.055
603 HA ILE 75 HA ILE 75 -2.181 8.107 -9.712
604 HB ILE 75 HB ILE 75 -2.090 8.027 -6.996
605 HG12 ILE 75 HG12 ILE 75 0.794 7.781 -7.885
606 HG13 ILE 75 HG13 ILE 75 0.140 9.211 -7.085
607 HG21 ILE 75 HG21 ILE 75 -1.080 6.202 -9.148
608 HG22 ILE 75 HG22 ILE 75 -2.418 5.968 -8.022
609 HG23 ILE 75 HG23 ILE 75 -0.755 5.769 -7.471
610 HD11 ILE 75 HD11 ILE 75 1.017 6.751 -5.899
611 HD12 ILE 75 HD12 ILE 75 -0.699 6.957 -5.570
612 HD13 ILE 75 HD13 ILE 75 0.448 8.211 -5.095
613 HA PRO 76 HA PRO 76 -4.884 11.462 -8.855
614 HB2 PRO 76 HB2 PRO 76 -5.962 10.345 -6.397
615 HB3 PRO 76 HB3 PRO 76 -6.749 10.517 -7.972
616 HG2 PRO 76 HG2 PRO 76 -5.562 8.173 -6.765
617 HG3 PRO 76 HG3 PRO 76 -6.564 8.303 -8.215
618 HD2 PRO 76 HD2 PRO 76 -3.886 7.659 -8.248
619 HD3 PRO 76 HD3 PRO 76 -4.738 8.378 -9.620
620 H GLY 77 H GLY 77 -5.432 13.097 -7.077
621 HA2 GLY 77 HA2 GLY 77 -3.020 13.937 -5.746
622 HA3 GLY 77 HA3 GLY 77 -4.616 14.652 -5.514
623 H THR 78 H THR 78 -3.965 11.230 -5.016
624 HA THR 78 HA THR 78 -5.261 10.853 -2.637
625 HB THR 78 HB THR 78 -4.094 9.047 -3.863
626 HG1 THR 78 HG1 THR 78 -4.375 9.290 -1.310
627 HG21 THR 78 HG21 THR 78 -1.928 10.714 -3.802
628 HG22 THR 78 HG22 THR 78 -1.843 8.991 -4.166
629 HG23 THR 78 HG23 THR 78 -1.512 9.564 -2.531
630 H LYS 79 H LYS 79 -4.819 11.114 -0.429
631 HA LYS 79 HA LYS 79 -2.747 13.153 0.180
632 HB2 LYS 79 HB2 LYS 79 -5.076 12.119 1.826
633 HB3 LYS 79 HB3 LYS 79 -3.969 13.397 2.330
634 HG2 LYS 79 HG2 LYS 79 -4.618 14.700 0.296
635 HG3 LYS 79 HG3 LYS 79 -5.809 13.454 -0.079
636 HD2 LYS 79 HD2 LYS 79 -6.867 13.848 2.149
637 HD3 LYS 79 HD3 LYS 79 -5.731 15.169 2.421
638 HE2 LYS 79 HE2 LYS 79 -6.841 16.575 1.025
639 HE3 LYS 79 HE3 LYS 79 -7.142 15.307 -0.163
640 HZ1 LYS 79 HZ1 LYS 79 -8.674 15.923 2.288
641 HZ2 LYS 79 HZ2 LYS 79 -8.805 14.419 1.511
642 HZ3 LYS 79 HZ3 LYS 79 -9.231 15.843 0.688
643 H MET 80 H MET 80 -2.219 10.190 -0.224
644 HA MET 80 HA MET 80 -1.769 8.646 1.983
645 HB2 MET 80 HB2 MET 80 -0.278 9.105 -0.513
646 HB3 MET 80 HB3 MET 80 0.708 8.454 0.798
647 HG2 MET 80 HG2 MET 80 -1.962 7.283 -0.032
648 HG3 MET 80 HG3 MET 80 -0.409 6.689 -0.622
649 HE1 MET 80 HE1 MET 80 1.646 6.507 1.499
650 HE2 MET 80 HE2 MET 80 1.080 5.190 0.476
651 HE3 MET 80 HE3 MET 80 1.257 4.935 2.211
652 H ALA 81 H ALA 81 -1.553 9.901 3.884
653 HA ALA 81 HA ALA 81 0.473 11.898 4.270
654 HB1 ALA 81 HB1 ALA 81 -1.710 11.032 5.697
655 HB2 ALA 81 HB2 ALA 81 -0.483 12.137 6.317
656 HB3 ALA 81 HB3 ALA 81 -0.374 10.412 6.668
657 H PHE 82 H PHE 82 0.482 8.402 4.559
658 HA PHE 82 HA PHE 82 2.707 8.011 6.238
659 HB2 PHE 82 HB2 PHE 82 1.251 6.204 5.258
660 HB3 PHE 82 HB3 PHE 82 2.109 6.415 3.733
661 HD1 PHE 82 HD1 PHE 82 2.414 5.335 7.251
662 HD2 PHE 82 HD2 PHE 82 4.410 5.678 3.461
663 HE1 PHE 82 HE1 PHE 82 4.227 3.855 8.072
664 HE2 PHE 82 HE2 PHE 82 6.221 4.195 4.284
665 HZ PHE 82 HZ PHE 82 6.127 3.284 6.589
666 H GLY 83 H GLY 83 2.635 8.700 2.742
667 HA2 GLY 83 HA2 GLY 83 4.330 9.516 1.338
668 HA3 GLY 83 HA3 GLY 83 5.134 10.091 2.800
669 H GLY 84 H GLY 84 7.143 9.252 2.977
670 HA2 GLY 84 HA2 GLY 84 7.594 6.454 2.009
671 HA3 GLY 84 HA3 GLY 84 8.832 7.707 1.990
672 H LEU 85 H LEU 85 9.261 5.247 3.281
673 HA LEU 85 HA LEU 85 9.026 5.935 6.175
674 HB2 LEU 85 HB2 LEU 85 8.074 3.759 5.503
675 HB3 LEU 85 HB3 LEU 85 9.634 3.280 4.846
676 HG LEU 85 HG LEU 85 10.650 3.445 7.066
677 HD11 LEU 85 HD11 LEU 85 9.576 5.104 8.273
678 HD12 LEU 85 HD12 LEU 85 8.801 3.678 8.965
679 HD13 LEU 85 HD13 LEU 85 7.975 4.614 7.719
680 HD21 LEU 85 HD21 LEU 85 8.541 1.629 6.320
681 HD22 LEU 85 HD22 LEU 85 8.516 1.867 8.067
682 HD23 LEU 85 HD23 LEU 85 9.988 1.301 7.275
683 H LYS 86 H LYS 86 10.849 6.467 7.275
684 HA LYS 86 HA LYS 86 13.334 6.913 5.971
685 HB2 LYS 86 HB2 LYS 86 12.729 6.534 8.919
686 HB3 LYS 86 HB3 LYS 86 14.252 7.155 8.281
687 HG2 LYS 86 HG2 LYS 86 12.987 8.991 7.156
688 HG3 LYS 86 HG3 LYS 86 11.511 8.402 7.921
689 HD2 LYS 86 HD2 LYS 86 12.591 8.709 10.152
690 HD3 LYS 86 HD3 LYS 86 13.993 9.410 9.341
691 HE2 LYS 86 HE2 LYS 86 12.866 11.343 8.761
692 HE3 LYS 86 HE3 LYS 86 11.299 10.538 8.705
693 HZ1 LYS 86 HZ1 LYS 86 12.383 10.414 11.316
694 HZ2 LYS 86 HZ2 LYS 86 10.917 11.100 10.797
695 HZ3 LYS 86 HZ3 LYS 86 12.342 12.025 10.785
696 H LYS 87 H LYS 87 12.137 4.115 7.794
697 HA LYS 87 HA LYS 87 14.750 2.764 7.538
698 HB2 LYS 87 HB2 LYS 87 12.104 1.844 8.705
699 HB3 LYS 87 HB3 LYS 87 13.595 0.902 8.737
700 HG2 LYS 87 HG2 LYS 87 14.707 2.779 9.955
701 HG3 LYS 87 HG3 LYS 87 13.157 3.618 10.010
702 HD2 LYS 87 HD2 LYS 87 12.181 1.654 11.204
703 HD3 LYS 87 HD3 LYS 87 13.782 0.916 11.235
704 HE2 LYS 87 HE2 LYS 87 14.651 2.574 12.673
705 HE3 LYS 87 HE3 LYS 87 13.333 3.692 12.323
706 HZ1 LYS 87 HZ1 LYS 87 12.890 2.788 14.432
707 HZ2 LYS 87 HZ2 LYS 87 13.232 1.203 13.926
708 HZ3 LYS 87 HZ3 LYS 87 11.833 1.991 13.372
709 H GLU 88 H GLU 88 15.084 2.219 5.403
710 HA GLU 88 HA GLU 88 13.012 1.331 3.617
711 HB2 GLU 88 HB2 GLU 88 16.022 0.987 3.494
712 HB3 GLU 88 HB3 GLU 88 14.921 0.612 2.168
713 HG2 GLU 88 HG2 GLU 88 14.116 2.964 2.202
714 HG3 GLU 88 HG3 GLU 88 15.284 3.326 3.473
715 H LYS 89 H LYS 89 15.303 -0.399 5.715
716 HA LYS 89 HA LYS 89 14.830 -3.018 4.710
717 HB2 LYS 89 HB2 LYS 89 16.619 -2.406 6.355
718 HB3 LYS 89 HB3 LYS 89 15.372 -2.248 7.592
719 HG2 LYS 89 HG2 LYS 89 14.712 -4.611 7.198
720 HG3 LYS 89 HG3 LYS 89 16.016 -4.760 6.020
721 HD2 LYS 89 HD2 LYS 89 17.639 -4.110 7.821
722 HD3 LYS 89 HD3 LYS 89 16.306 -4.160 8.977
723 HE2 LYS 89 HE2 LYS 89 17.508 -6.292 9.018
724 HE3 LYS 89 HE3 LYS 89 15.891 -6.535 8.355
725 HZ1 LYS 89 HZ1 LYS 89 18.405 -6.231 6.802
726 HZ2 LYS 89 HZ2 LYS 89 16.853 -6.364 6.122
727 HZ3 LYS 89 HZ3 LYS 89 17.514 -7.659 7.001
728 H ASP 90 H ASP 90 13.245 -1.318 7.423
729 HA ASP 90 HA ASP 90 11.316 -3.372 7.922
730 HB2 ASP 90 HB2 ASP 90 11.219 -0.384 8.441
731 HB3 ASP 90 HB3 ASP 90 10.052 -1.541 9.073
732 H ARG 91 H ARG 91 11.374 -0.569 5.779
733 HA ARG 91 HA ARG 91 8.667 -0.585 4.949
734 HB2 ARG 91 HB2 ARG 91 10.361 1.174 4.379
735 HB3 ARG 91 HB3 ARG 91 11.079 0.047 3.229
736 HG2 ARG 91 HG2 ARG 91 8.949 -0.091 2.007
737 HG3 ARG 91 HG3 ARG 91 8.206 1.014 3.165
738 HD2 ARG 91 HD2 ARG 91 8.860 2.324 1.250
739 HD3 ARG 91 HD3 ARG 91 9.984 2.706 2.554
740 HE ARG 91 HE ARG 91 10.867 0.562 0.744
741 HH11 ARG 91 HH21 ARG 91 10.821 3.910 1.573
742 HH12 ARG 91 HH22 ARG 91 12.275 4.280 0.706
743 HH21 ARG 91 HH11 ARG 91 12.765 1.028 -0.392
744 HH22 ARG 91 HH12 ARG 91 13.375 2.648 -0.406
745 H ASN 92 H ASN 92 11.449 -2.447 3.734
746 HA ASN 92 HA ASN 92 10.158 -3.642 1.516
747 HB2 ASN 92 HB2 ASN 92 12.261 -4.830 3.350
748 HB3 ASN 92 HB3 ASN 92 11.850 -5.429 1.745
749 HD21 ASN 92 HD21 ASN 92 11.555 -2.943 0.369
750 HD22 ASN 92 HD22 ASN 92 13.068 -2.174 0.314
751 H ASP 93 H ASP 93 10.352 -4.737 4.905
752 HA ASP 93 HA ASP 93 8.811 -7.117 4.532
753 HB2 ASP 93 HB2 ASP 93 9.183 -5.348 6.967
754 HB3 ASP 93 HB3 ASP 93 8.412 -6.931 7.002
755 H LEU 94 H LEU 94 7.936 -3.766 5.165
756 HA LEU 94 HA LEU 94 5.196 -4.088 5.794
757 HB2 LEU 94 HB2 LEU 94 6.543 -1.960 5.885
758 HB3 LEU 94 HB3 LEU 94 6.411 -1.867 4.135
759 HG LEU 94 HG LEU 94 3.940 -1.865 4.332
760 HD11 LEU 94 HD11 LEU 94 3.311 -2.895 6.296
761 HD12 LEU 94 HD12 LEU 94 3.271 -1.219 6.845
762 HD13 LEU 94 HD13 LEU 94 4.670 -2.232 7.204
763 HD21 LEU 94 HD21 LEU 94 5.778 0.196 5.186
764 HD22 LEU 94 HD22 LEU 94 4.249 0.360 6.048
765 HD23 LEU 94 HD23 LEU 94 4.272 0.366 4.285
766 H ILE 95 H ILE 95 6.765 -3.687 2.624
767 HA ILE 95 HA ILE 95 4.392 -3.735 1.058
768 HB ILE 95 HB ILE 95 7.122 -4.797 0.277
769 HG12 ILE 95 HG12 ILE 95 7.442 -2.568 1.143
770 HG13 ILE 95 HG13 ILE 95 7.435 -2.442 -0.614
771 HG21 ILE 95 HG21 ILE 95 6.293 -3.862 -1.971
772 HG22 ILE 95 HG22 ILE 95 4.695 -3.831 -1.225
773 HG23 ILE 95 HG23 ILE 95 5.557 -5.359 -1.402
774 HD11 ILE 95 HD11 ILE 95 4.885 -2.000 -0.345
775 HD12 ILE 95 HD12 ILE 95 6.005 -0.697 0.047
776 HD13 ILE 95 HD13 ILE 95 5.282 -1.654 1.338
777 H THR 96 H THR 96 6.472 -6.353 2.229
778 HA THR 96 HA THR 96 5.285 -8.489 0.800
779 HB THR 96 HB THR 96 6.332 -8.604 3.643
780 HG1 THR 96 HG1 THR 96 8.293 -9.204 2.417
781 HG21 THR 96 HG21 THR 96 6.265 -10.856 3.432
782 HG22 THR 96 HG22 THR 96 6.861 -10.803 1.773
783 HG23 THR 96 HG23 THR 96 5.145 -10.562 2.103
784 H TYR 97 H TYR 97 4.308 -6.977 3.876
785 HA TYR 97 HA TYR 97 2.251 -8.831 4.533
786 HB2 TYR 97 HB2 TYR 97 3.087 -7.099 6.098
787 HB3 TYR 97 HB3 TYR 97 2.315 -5.855 5.113
788 HD1 TYR 97 HD2 TYR 97 1.714 -8.777 7.305
789 HD2 TYR 97 HD1 TYR 97 -0.076 -5.533 5.135
790 HE1 TYR 97 HE2 TYR 97 -0.436 -9.185 8.470
791 HE2 TYR 97 HE1 TYR 97 -2.227 -5.942 6.297
792 HH TYR 97 HH TYR 97 -2.782 -7.128 8.769
793 H LEU 98 H LEU 98 2.122 -5.853 2.556
794 HA LEU 98 HA LEU 98 -0.682 -5.870 2.101
795 HB2 LEU 98 HB2 LEU 98 1.678 -4.667 0.793
796 HB3 LEU 98 HB3 LEU 98 0.275 -4.889 -0.253
797 HG LEU 98 HG LEU 98 -1.121 -3.581 1.169
798 HD11 LEU 98 HD11 LEU 98 -0.777 -4.027 3.387
799 HD12 LEU 98 HD12 LEU 98 0.258 -2.603 3.294
800 HD13 LEU 98 HD13 LEU 98 0.965 -4.212 3.179
801 HD21 LEU 98 HD21 LEU 98 0.330 -2.205 -0.195
802 HD22 LEU 98 HD22 LEU 98 1.641 -2.351 0.976
803 HD23 LEU 98 HD23 LEU 98 0.186 -1.444 1.389
804 H LYS 99 H LYS 99 1.919 -7.628 0.467
805 HA LYS 99 HA LYS 99 0.376 -8.688 -1.670
806 HB2 LYS 99 HB2 LYS 99 2.886 -8.977 -1.299
807 HB3 LYS 99 HB3 LYS 99 2.484 -10.217 -0.111
808 HG2 LYS 99 HG2 LYS 99 1.081 -11.307 -1.970
809 HG3 LYS 99 HG3 LYS 99 1.931 -10.232 -3.080
810 HD2 LYS 99 HD2 LYS 99 3.305 -12.128 -1.153
811 HD3 LYS 99 HD3 LYS 99 3.024 -12.475 -2.859
812 HE2 LYS 99 HE2 LYS 99 4.190 -9.952 -2.900
813 HE3 LYS 99 HE3 LYS 99 5.069 -10.790 -1.624
814 HZ1 LYS 99 HZ1 LYS 99 5.080 -11.247 -4.464
815 HZ2 LYS 99 HZ2 LYS 99 4.887 -12.667 -3.552
816 HZ3 LYS 99 HZ3 LYS 99 6.234 -11.665 -3.293
817 H LYS 100 H LYS 100 0.792 -9.724 1.694
818 HA LYS 100 HA LYS 100 -0.899 -12.048 1.489
819 HB2 LYS 100 HB2 LYS 100 0.758 -11.655 3.330
820 HB3 LYS 100 HB3 LYS 100 -0.295 -10.381 3.947
821 HG2 LYS 100 HG2 LYS 100 -2.108 -11.983 4.275
822 HG3 LYS 100 HG3 LYS 100 -1.136 -13.268 3.558
823 HD2 LYS 100 HD2 LYS 100 -0.989 -13.485 5.963
824 HD3 LYS 100 HD3 LYS 100 0.567 -12.895 5.375
825 HE2 LYS 100 HE2 LYS 100 0.181 -10.717 6.161
826 HE3 LYS 100 HE3 LYS 100 -1.564 -10.952 6.242
827 HZ1 LYS 100 HZ1 LYS 100 -0.694 -12.843 7.916
828 HZ2 LYS 100 HZ2 LYS 100 -1.153 -11.283 8.405
829 HZ3 LYS 100 HZ3 LYS 100 0.487 -11.652 8.160
830 H ALA 101 H ALA 101 -1.476 -8.643 2.338
831 HA ALA 101 HA ALA 101 -4.205 -9.023 3.136
832 HB1 ALA 101 HB1 ALA 101 -3.173 -6.468 1.911
833 HB2 ALA 101 HB2 ALA 101 -2.657 -6.971 3.521
834 HB3 ALA 101 HB3 ALA 101 -4.363 -6.670 3.198
835 H THR 102 H THR 102 -2.646 -8.649 0.023
836 HA THR 102 HA THR 102 -4.890 -7.866 -1.523
837 HB THR 102 HB THR 102 -2.294 -8.407 -2.110
838 HG1 THR 102 HG1 THR 102 -2.929 -8.012 -4.218
839 HG21 THR 102 HG21 THR 102 -2.816 -10.887 -2.032
840 HG22 THR 102 HG22 THR 102 -2.114 -10.322 -3.543
841 HG23 THR 102 HG23 THR 102 -3.845 -10.639 -3.444
842 H GLU 103 H GLU 103 -3.895 -11.045 -0.334
843 HA GLU 103 HA GLU 103 -5.023 -13.107 -0.371
844 HB2 GLU 103 HB2 GLU 103 -6.585 -11.714 1.010
845 HB3 GLU 103 HB3 GLU 103 -7.472 -11.320 -0.464
846 HG2 GLU 103 HG2 GLU 103 -7.847 -13.755 -0.848
847 HG3 GLU 103 HG3 GLU 103 -7.052 -14.093 0.690
848 HHA HEC 104 HA HEC 104 -3.891 4.462 -1.940
849 HHB HEC 104 HB HEC 104 0.418 1.213 1.336
850 HHC HEC 104 HC HEC 104 -1.007 4.573 6.520
851 HHD HEC 104 HD HEC 104 -5.284 7.825 3.218
852 HMA1 HEC 104 1HMA HEC 104 0.550 0.774 -1.529
853 HMA2 HEC 104 2HMA HEC 104 -1.047 0.156 -1.949
854 HMA3 HEC 104 3HMA HEC 104 -0.424 -0.058 -0.318
855 HAA1 HEC 104 1HAA HEC 104 -1.803 1.731 -3.398
856 HAA2 HEC 104 2HAA HEC 104 -2.825 3.157 -3.342
857 HBA1 HEC 104 1HBA HEC 104 -0.438 3.226 -4.493
858 HBA2 HEC 104 2HBA HEC 104 0.095 3.518 -2.837
859 HMB1 HEC 104 1HMB HEC 104 1.994 0.461 4.301
860 HMB2 HEC 104 2HMB HEC 104 2.066 1.090 2.668
861 HMB3 HEC 104 3HMB HEC 104 2.735 2.030 3.986
862 HAB HEC 104 HAB HEC 104 0.289 2.927 7.157
863 HBB1 HEC 104 1HBB HEC 104 2.421 1.711 6.146
864 HBB2 HEC 104 2HBB HEC 104 1.450 0.272 6.456
865 HBB3 HEC 104 3HBB HEC 104 1.867 1.367 7.768
866 HMC1 HEC 104 1HMC HEC 104 -2.772 7.784 7.652
867 HMC2 HEC 104 2HMC HEC 104 -1.216 7.128 7.141
868 HMC3 HEC 104 3HMC HEC 104 -2.335 6.125 8.064
869 HAC HEC 104 HAC HEC 104 -5.910 7.590 5.375
870 HBC1 HEC 104 1HBC HEC 104 -4.638 9.432 7.240
871 HBC2 HEC 104 2HBC HEC 104 -3.900 9.525 5.641
872 HBC3 HEC 104 3HBC HEC 104 -5.634 9.787 5.829
873 HMD1 HEC 104 1HMD HEC 104 -6.338 8.648 -0.389
874 HMD2 HEC 104 2HMD HEC 104 -5.372 9.150 0.998
875 HMD3 HEC 104 3HMD HEC 104 -6.937 8.375 1.247
876 HAD1 HEC 104 1HAD HEC 104 -7.029 6.492 -1.382
877 HAD2 HEC 104 2HAD HEC 104 -6.067 5.138 -1.954
878 HBD1 HEC 104 1HBD HEC 104 -5.744 8.065 -2.606
879 HBD2 HEC 104 2HBD HEC 104 -4.455 6.897 -2.902
Start of MODEL 15
1 H1 THR -5 H1 THR -5 17.549 -0.123 -3.657
2 H2 THR -5 H2 THR -5 16.770 -0.534 -2.205
3 H3 THR -5 H3 THR -5 17.292 1.061 -2.470
4 HA THR -5 HA THR -5 14.972 1.072 -2.816
5 HB THR -5 HB THR -5 15.554 0.852 -5.657
6 HG1 THR -5 HG1 THR -5 17.241 2.634 -4.310
7 HG21 THR -5 HG21 THR -5 15.280 3.334 -3.955
8 HG22 THR -5 HG22 THR -5 13.894 2.341 -4.406
9 HG23 THR -5 HG23 THR -5 14.857 3.131 -5.655
10 H GLU -4 H GLU -4 16.590 -1.661 -4.337
11 HA GLU -4 HA GLU -4 14.356 -2.874 -5.594
12 HB2 GLU -4 HB2 GLU -4 16.724 -4.195 -4.230
13 HB3 GLU -4 HB3 GLU -4 15.619 -4.998 -5.345
14 HG2 GLU -4 HG2 GLU -4 16.233 -3.349 -7.103
15 HG3 GLU -4 HG3 GLU -4 17.391 -2.623 -5.989
16 H PHE -3 H PHE -3 12.759 -4.287 -4.824
17 HA PHE -3 HA PHE -3 12.409 -4.271 -1.869
18 HB2 PHE -3 HB2 PHE -3 10.458 -3.423 -2.888
19 HB3 PHE -3 HB3 PHE -3 10.518 -4.606 -4.194
20 HD1 PHE -3 HD1 PHE -3 10.823 -5.082 -0.480
21 HD2 PHE -3 HD2 PHE -3 8.544 -5.858 -4.038
22 HE1 PHE -3 HE1 PHE -3 9.340 -6.594 0.800
23 HE2 PHE -3 HE2 PHE -3 7.056 -7.368 -2.752
24 HZ PHE -3 HZ PHE -3 7.453 -7.734 -0.332
25 H LYS -2 H LYS -2 12.575 -6.146 -0.727
26 HA LYS -2 HA LYS -2 12.588 -8.716 -2.244
27 HB2 LYS -2 HB2 LYS -2 14.895 -8.003 -1.557
28 HB3 LYS -2 HB3 LYS -2 14.358 -8.041 0.123
29 HG2 LYS -2 HG2 LYS -2 13.749 -10.433 -0.146
30 HG3 LYS -2 HG3 LYS -2 14.360 -10.386 -1.799
31 HD2 LYS -2 HD2 LYS -2 16.590 -9.679 -0.897
32 HD3 LYS -2 HD3 LYS -2 15.957 -9.914 0.734
33 HE2 LYS -2 HE2 LYS -2 16.394 -12.115 0.599
34 HE3 LYS -2 HE3 LYS -2 15.342 -12.244 -0.811
35 HZ1 LYS -2 HZ1 LYS -2 17.161 -12.642 -1.987
36 HZ2 LYS -2 HZ2 LYS -2 18.180 -12.270 -0.679
37 HZ3 LYS -2 HZ3 LYS -2 17.640 -11.038 -1.716
38 H ALA -1 H ALA -1 11.224 -10.231 -1.395
39 HA ALA -1 HA ALA -1 9.473 -9.538 0.775
40 HB1 ALA -1 HB1 ALA -1 10.003 -12.208 -0.558
41 HB2 ALA -1 HB2 ALA -1 8.738 -11.056 -0.987
42 HB3 ALA -1 HB3 ALA -1 8.680 -11.893 0.564
43 H GLY 1 H GLY 1 10.560 -9.203 2.713
44 HA2 GLY 1 HA2 GLY 1 12.525 -11.180 3.663
45 HA3 GLY 1 HA3 GLY 1 12.041 -9.709 4.511
46 H SER 2 H SER 2 10.440 -9.847 6.062
47 HA SER 2 HA SER 2 9.024 -12.475 6.309
48 HB2 SER 2 HB2 SER 2 10.809 -12.180 8.039
49 HB3 SER 2 HB3 SER 2 9.994 -10.717 8.583
50 HG SER 2 HG SER 2 9.193 -12.314 9.843
51 H ALA 3 H ALA 3 6.869 -12.179 6.089
52 HA ALA 3 HA ALA 3 5.670 -9.550 6.102
53 HB1 ALA 3 HB1 ALA 3 4.818 -12.310 5.581
54 HB2 ALA 3 HB2 ALA 3 4.290 -10.810 4.819
55 HB3 ALA 3 HB3 ALA 3 3.568 -11.326 6.342
56 H LYS 4 H LYS 4 5.951 -12.143 8.468
57 HA LYS 4 HA LYS 4 3.994 -11.279 10.330
58 HB2 LYS 4 HB2 LYS 4 6.695 -12.503 10.960
59 HB3 LYS 4 HB3 LYS 4 5.246 -12.566 11.961
60 HG2 LYS 4 HG2 LYS 4 4.075 -13.813 10.179
61 HG3 LYS 4 HG3 LYS 4 5.545 -13.766 9.205
62 HD2 LYS 4 HD2 LYS 4 5.450 -15.913 10.338
63 HD3 LYS 4 HD3 LYS 4 6.744 -14.955 11.058
64 HE2 LYS 4 HE2 LYS 4 5.555 -14.571 13.021
65 HE3 LYS 4 HE3 LYS 4 3.990 -14.795 12.237
66 HZ1 LYS 4 HZ1 LYS 4 5.837 -16.779 13.309
67 HZ2 LYS 4 HZ2 LYS 4 5.016 -17.198 11.881
68 HZ3 LYS 4 HZ3 LYS 4 4.142 -16.780 13.277
69 H LYS 5 H LYS 5 7.451 -10.494 10.122
70 HA LYS 5 HA LYS 5 7.518 -8.708 12.341
71 HB2 LYS 5 HB2 LYS 5 9.188 -8.743 9.809
72 HB3 LYS 5 HB3 LYS 5 9.570 -7.801 11.247
73 HG2 LYS 5 HG2 LYS 5 9.600 -9.912 12.579
74 HG3 LYS 5 HG3 LYS 5 9.346 -10.818 11.086
75 HD2 LYS 5 HD2 LYS 5 11.432 -9.795 10.162
76 HD3 LYS 5 HD3 LYS 5 11.706 -9.024 11.725
77 HE2 LYS 5 HE2 LYS 5 11.279 -11.618 12.483
78 HE3 LYS 5 HE3 LYS 5 12.079 -11.842 10.926
79 HZ1 LYS 5 HZ1 LYS 5 13.897 -11.614 12.228
80 HZ2 LYS 5 HZ2 LYS 5 13.101 -10.670 13.394
81 HZ3 LYS 5 HZ3 LYS 5 13.621 -9.966 11.937
82 H GLY 6 H GLY 6 7.005 -8.044 8.859
83 HA2 GLY 6 HA2 GLY 6 6.676 -5.212 9.226
84 HA3 GLY 6 HA3 GLY 6 6.134 -6.114 7.818
85 H ALA 7 H ALA 7 4.455 -7.958 9.356
86 HA ALA 7 HA ALA 7 1.992 -6.575 9.286
87 HB1 ALA 7 HB1 ALA 7 2.452 -9.126 9.438
88 HB2 ALA 7 HB2 ALA 7 1.028 -8.497 10.268
89 HB3 ALA 7 HB3 ALA 7 2.490 -8.868 11.181
90 H THR 8 H THR 8 4.189 -7.182 12.015
91 HA THR 8 HA THR 8 2.561 -5.927 14.017
92 HB THR 8 HB THR 8 4.616 -5.853 15.324
93 HG1 THR 8 HG1 THR 8 6.593 -6.224 14.335
94 HG21 THR 8 HG21 THR 8 5.399 -8.214 15.014
95 HG22 THR 8 HG22 THR 8 4.442 -8.282 13.534
96 HG23 THR 8 HG23 THR 8 3.644 -8.060 15.091
97 H LEU 9 H LEU 9 5.143 -4.795 11.908
98 HA LEU 9 HA LEU 9 5.247 -2.083 12.783
99 HB2 LEU 9 HB2 LEU 9 5.803 -3.309 10.074
100 HB3 LEU 9 HB3 LEU 9 6.284 -1.694 10.554
101 HG LEU 9 HG LEU 9 7.165 -4.280 11.864
102 HD11 LEU 9 HD11 LEU 9 9.386 -2.867 11.043
103 HD12 LEU 9 HD12 LEU 9 8.234 -2.561 9.746
104 HD13 LEU 9 HD13 LEU 9 8.663 -4.218 10.171
105 HD21 LEU 9 HD21 LEU 9 7.426 -1.395 12.625
106 HD22 LEU 9 HD22 LEU 9 8.800 -2.458 12.926
107 HD23 LEU 9 HD23 LEU 9 7.235 -2.811 13.658
108 H PHE 10 H PHE 10 3.334 -3.706 10.294
109 HA PHE 10 HA PHE 10 2.080 -1.413 9.174
110 HB2 PHE 10 HB2 PHE 10 2.037 -3.747 8.231
111 HB3 PHE 10 HB3 PHE 10 0.899 -4.192 9.499
112 HD1 PHE 10 HD1 PHE 10 -1.388 -3.297 9.519
113 HD2 PHE 10 HD2 PHE 10 1.379 -2.297 6.388
114 HE1 PHE 10 HE1 PHE 10 -3.261 -2.442 8.137
115 HE2 PHE 10 HE2 PHE 10 -0.494 -1.438 5.008
116 HZ PHE 10 HZ PHE 10 -2.814 -1.514 5.878
117 H LYS 11 H LYS 11 1.011 -3.574 11.810
118 HA LYS 11 HA LYS 11 -1.429 -2.209 12.354
119 HB2 LYS 11 HB2 LYS 11 0.334 -3.898 14.143
120 HB3 LYS 11 HB3 LYS 11 -1.301 -3.384 14.553
121 HG2 LYS 11 HG2 LYS 11 -2.132 -4.503 12.482
122 HG3 LYS 11 HG3 LYS 11 -0.499 -5.101 12.188
123 HD2 LYS 11 HD2 LYS 11 -0.554 -6.222 14.422
124 HD3 LYS 11 HD3 LYS 11 -2.233 -5.713 14.599
125 HE2 LYS 11 HE2 LYS 11 -2.098 -6.896 12.056
126 HE3 LYS 11 HE3 LYS 11 -1.154 -7.953 13.105
127 HZ1 LYS 11 HZ1 LYS 11 -3.022 -8.713 13.979
128 HZ2 LYS 11 HZ2 LYS 11 -3.930 -7.720 12.943
129 HZ3 LYS 11 HZ3 LYS 11 -3.464 -7.154 14.476
130 H THR 12 H THR 12 1.867 -1.675 13.545
131 HA THR 12 HA THR 12 0.862 0.431 15.372
132 HB THR 12 HB THR 12 3.138 0.502 16.241
133 HG1 THR 12 HG1 THR 12 3.863 -0.105 13.920
134 HG21 THR 12 HG21 THR 12 1.514 -1.389 16.844
135 HG22 THR 12 HG22 THR 12 3.220 -1.676 17.187
136 HG23 THR 12 HG23 THR 12 2.471 -2.404 15.766
137 H ARG 13 H ARG 13 1.752 0.295 12.159
138 HA ARG 13 HA ARG 13 2.261 3.216 12.179
139 HB2 ARG 13 HB2 ARG 13 4.098 1.198 10.859
140 HB3 ARG 13 HB3 ARG 13 4.196 2.944 10.639
141 HG2 ARG 13 HG2 ARG 13 4.473 3.181 13.122
142 HG3 ARG 13 HG3 ARG 13 4.545 1.424 13.236
143 HD2 ARG 13 HD2 ARG 13 6.466 1.473 11.603
144 HD3 ARG 13 HD3 ARG 13 6.461 3.231 11.740
145 HE ARG 13 HE ARG 13 6.607 2.322 14.370
146 HH11 ARG 13 HH21 ARG 13 8.355 1.895 11.429
147 HH12 ARG 13 HH22 ARG 13 9.879 1.655 12.214
148 HH21 ARG 13 HH11 ARG 13 8.588 2.010 15.413
149 HH22 ARG 13 HH12 ARG 13 10.011 1.720 14.469
150 H CYS 14 H CYS 14 0.176 1.155 11.191
151 HA CYS 14 HA CYS 14 -0.475 2.542 8.740
152 HB2 CYS 14 HB2 CYS 14 1.498 0.896 8.222
153 HB3 CYS 14 HB3 CYS 14 0.256 -0.338 8.319
154 H LEU 15 H LEU 15 -2.263 2.387 10.589
155 HA LEU 15 HA LEU 15 -4.135 0.278 9.690
156 HB2 LEU 15 HB2 LEU 15 -4.693 -0.422 11.961
157 HB3 LEU 15 HB3 LEU 15 -2.971 -0.665 11.680
158 HG LEU 15 HG LEU 15 -4.168 1.746 13.084
159 HD11 LEU 15 HD11 LEU 15 -4.433 0.099 14.680
160 HD12 LEU 15 HD12 LEU 15 -2.756 0.545 14.993
161 HD13 LEU 15 HD13 LEU 15 -3.124 -0.889 14.032
162 HD21 LEU 15 HD21 LEU 15 -2.141 2.557 12.341
163 HD22 LEU 15 HD22 LEU 15 -1.427 0.949 12.209
164 HD23 LEU 15 HD23 LEU 15 -1.577 1.723 13.786
165 H GLN 16 H GLN 16 -3.551 3.267 11.461
166 HA GLN 16 HA GLN 16 -6.180 3.976 12.160
167 HB2 GLN 16 HB2 GLN 16 -5.430 6.272 12.146
168 HB3 GLN 16 HB3 GLN 16 -4.079 5.278 12.690
169 HG2 GLN 16 HG2 GLN 16 -3.282 5.232 10.281
170 HG3 GLN 16 HG3 GLN 16 -4.502 6.457 9.935
171 HE21 GLN 16 HE21 GLN 16 -3.172 8.302 9.631
172 HE22 GLN 16 HE22 GLN 16 -2.118 8.904 10.818
173 H CYS 17 H CYS 17 -4.625 3.948 9.019
174 HA CYS 17 HA CYS 17 -7.091 5.117 7.804
175 HB2 CYS 17 HB2 CYS 17 -4.265 4.823 6.754
176 HB3 CYS 17 HB3 CYS 17 -5.619 5.367 5.763
177 H HIS 18 H HIS 18 -4.629 2.728 6.726
178 HA HIS 18 HA HIS 18 -6.743 1.173 5.399
179 HB2 HIS 18 HB2 HIS 18 -3.799 0.539 5.804
180 HB3 HIS 18 HB3 HIS 18 -4.903 -0.349 4.758
181 HD1 HIS 18 HD1 HIS 18 -5.806 0.945 2.619
182 HD2 HIS 18 HD2 HIS 18 -2.792 2.908 4.718
183 HE1 HIS 18 HE1 HIS 18 -4.926 2.765 1.079
184 H THR 19 H THR 19 -7.999 0.684 7.324
185 HA THR 19 HA THR 19 -7.034 -0.509 9.675
186 HB THR 19 HB THR 19 -9.670 -1.178 8.338
187 HG1 THR 19 HG1 THR 19 -9.619 0.785 10.233
188 HG21 THR 19 HG21 THR 19 -10.403 -1.853 10.430
189 HG22 THR 19 HG22 THR 19 -9.241 -0.834 11.279
190 HG23 THR 19 HG23 THR 19 -8.709 -2.334 10.522
191 H VAL 20 H VAL 20 -7.835 -2.043 6.567
192 HA VAL 20 HA VAL 20 -7.616 -4.294 5.903
193 HB VAL 20 HB VAL 20 -5.101 -3.782 7.496
194 HG11 VAL 20 HG11 VAL 20 -4.531 -5.743 5.628
195 HG12 VAL 20 HG12 VAL 20 -6.113 -6.229 6.237
196 HG13 VAL 20 HG13 VAL 20 -4.764 -6.019 7.354
197 HG21 VAL 20 HG21 VAL 20 -5.547 -3.915 4.507
198 HG22 VAL 20 HG22 VAL 20 -4.122 -3.311 5.353
199 HG23 VAL 20 HG23 VAL 20 -5.638 -2.411 5.423
200 H GLU 21 H GLU 21 -9.410 -4.245 7.927
201 HA GLU 21 HA GLU 21 -8.538 -6.132 10.031
202 HB2 GLU 21 HB2 GLU 21 -10.126 -4.120 10.389
203 HB3 GLU 21 HB3 GLU 21 -11.348 -5.106 9.590
204 HG2 GLU 21 HG2 GLU 21 -10.958 -6.902 11.277
205 HG3 GLU 21 HG3 GLU 21 -9.811 -5.846 12.098
206 H LYS 22 H LYS 22 -8.922 -6.695 7.010
207 HA LYS 22 HA LYS 22 -9.500 -8.608 5.798
208 HB2 LYS 22 HB2 LYS 22 -9.039 -9.607 8.221
209 HB3 LYS 22 HB3 LYS 22 -10.785 -9.863 8.185
210 HG2 LYS 22 HG2 LYS 22 -10.005 -11.820 7.213
211 HG3 LYS 22 HG3 LYS 22 -10.310 -10.830 5.791
212 HD2 LYS 22 HD2 LYS 22 -8.155 -11.553 5.329
213 HD3 LYS 22 HD3 LYS 22 -7.800 -10.067 6.212
214 HE2 LYS 22 HE2 LYS 22 -6.474 -11.485 7.433
215 HE3 LYS 22 HE3 LYS 22 -7.988 -11.759 8.294
216 HZ1 LYS 22 HZ1 LYS 22 -7.803 -13.880 7.731
217 HZ2 LYS 22 HZ2 LYS 22 -6.472 -13.568 6.722
218 HZ3 LYS 22 HZ3 LYS 22 -8.052 -13.437 6.112
219 H GLY 23 H GLY 23 -11.083 -6.856 5.046
220 HA2 GLY 23 HA2 GLY 23 -13.254 -6.636 4.110
221 HA3 GLY 23 HA3 GLY 23 -13.782 -8.007 5.088
222 H GLY 24 H GLY 24 -12.159 -5.089 6.285
223 HA2 GLY 24 HA2 GLY 24 -14.518 -4.636 8.046
224 HA3 GLY 24 HA3 GLY 24 -12.897 -4.001 8.330
225 HA PRO 25 HA PRO 25 -15.898 -0.848 6.308
226 HB2 PRO 25 HB2 PRO 25 -15.283 1.031 8.319
227 HB3 PRO 25 HB3 PRO 25 -16.777 0.089 8.184
228 HG2 PRO 25 HG2 PRO 25 -14.409 -0.359 9.898
229 HG3 PRO 25 HG3 PRO 25 -16.112 -0.750 10.189
230 HD2 PRO 25 HD2 PRO 25 -14.285 -2.656 9.558
231 HD3 PRO 25 HD3 PRO 25 -15.987 -2.772 9.053
232 H HIS 26 H HIS 26 -15.173 1.172 5.307
233 HA HIS 26 HA HIS 26 -12.208 1.268 5.057
234 HB2 HIS 26 HB2 HIS 26 -14.343 2.550 3.325
235 HB3 HIS 26 HB3 HIS 26 -12.612 2.537 3.001
236 HD1 HIS 26 HD1 HIS 26 -11.546 0.305 2.218
237 HD2 HIS 26 HD2 HIS 26 -15.664 0.065 2.842
238 HE1 HIS 26 HE1 HIS 26 -12.301 -1.885 1.187
239 HE2 HIS 26 HE2 HIS 26 -14.805 -2.041 1.564
240 H LYS 27 H LYS 27 -11.066 3.083 5.619
241 HA LYS 27 HA LYS 27 -12.612 5.285 6.907
242 HB2 LYS 27 HB2 LYS 27 -9.691 4.494 7.169
243 HB3 LYS 27 HB3 LYS 27 -10.453 5.843 8.014
244 HG2 LYS 27 HG2 LYS 27 -12.066 4.238 9.040
245 HG3 LYS 27 HG3 LYS 27 -11.187 2.914 8.276
246 HD2 LYS 27 HD2 LYS 27 -9.118 3.656 9.459
247 HD3 LYS 27 HD3 LYS 27 -10.072 4.881 10.295
248 HE2 LYS 27 HE2 LYS 27 -10.956 2.012 10.376
249 HE3 LYS 27 HE3 LYS 27 -9.663 2.554 11.446
250 HZ1 LYS 27 HZ1 LYS 27 -12.097 2.713 12.233
251 HZ2 LYS 27 HZ2 LYS 27 -12.164 4.096 11.250
252 HZ3 LYS 27 HZ3 LYS 27 -11.053 4.014 12.532
253 H VAL 28 H VAL 28 -10.008 6.905 6.650
254 HA VAL 28 HA VAL 28 -10.723 8.409 4.351
255 HB VAL 28 HB VAL 28 -8.064 8.166 5.790
256 HG11 VAL 28 HG11 VAL 28 -7.409 9.071 3.744
257 HG12 VAL 28 HG12 VAL 28 -7.826 10.529 4.645
258 HG13 VAL 28 HG13 VAL 28 -8.965 9.858 3.479
259 HG21 VAL 28 HG21 VAL 28 -8.871 9.717 7.236
260 HG22 VAL 28 HG22 VAL 28 -10.461 9.260 6.623
261 HG23 VAL 28 HG23 VAL 28 -9.621 10.653 5.943
262 H GLY 29 H GLY 29 -8.435 5.735 4.766
263 HA2 GLY 29 HA2 GLY 29 -8.000 5.739 1.809
264 HA3 GLY 29 HA3 GLY 29 -6.889 5.025 2.979
265 HA PRO 30 HA PRO 30 -10.246 2.006 1.254
266 HB2 PRO 30 HB2 PRO 30 -8.457 0.517 -0.275
267 HB3 PRO 30 HB3 PRO 30 -9.559 1.753 -0.904
268 HG2 PRO 30 HG2 PRO 30 -6.663 1.932 -0.294
269 HG3 PRO 30 HG3 PRO 30 -7.603 2.718 -1.573
270 HD2 PRO 30 HD2 PRO 30 -6.771 4.051 0.652
271 HD3 PRO 30 HD3 PRO 30 -8.280 4.457 -0.197
272 H ASN 31 H ASN 31 -10.428 -0.169 1.998
273 HA ASN 31 HA ASN 31 -9.071 -0.876 4.358
274 HB2 ASN 31 HB2 ASN 31 -11.211 -1.905 3.409
275 HB3 ASN 31 HB3 ASN 31 -10.166 -2.901 2.395
276 HD21 ASN 31 HD21 ASN 31 -9.669 -4.885 3.325
277 HD22 ASN 31 HD22 ASN 31 -9.593 -5.193 4.992
278 H LEU 32 H LEU 32 -8.054 -1.142 1.069
279 HA LEU 32 HA LEU 32 -6.023 -1.824 0.148
280 HB2 LEU 32 HB2 LEU 32 -5.190 -0.706 2.350
281 HB3 LEU 32 HB3 LEU 32 -4.992 -2.351 2.936
282 HG LEU 32 HG LEU 32 -3.509 -2.864 1.025
283 HD11 LEU 32 HD11 LEU 32 -3.977 -1.518 -0.781
284 HD12 LEU 32 HD12 LEU 32 -2.722 -0.509 -0.061
285 HD13 LEU 32 HD13 LEU 32 -4.421 -0.144 0.232
286 HD21 LEU 32 HD21 LEU 32 -2.482 -2.032 3.082
287 HD22 LEU 32 HD22 LEU 32 -2.789 -0.366 2.592
288 HD23 LEU 32 HD23 LEU 32 -1.635 -1.349 1.692
289 H HIS 33 H HIS 33 -7.831 -3.676 -0.066
290 HA HIS 33 HA HIS 33 -6.404 -6.192 0.626
291 HB2 HIS 33 HB2 HIS 33 -8.834 -5.327 1.823
292 HB3 HIS 33 HB3 HIS 33 -9.239 -6.643 0.720
293 HD1 HIS 33 HD1 HIS 33 -6.611 -5.916 3.398
294 HD2 HIS 33 HD2 HIS 33 -8.757 -9.121 1.813
295 HE1 HIS 33 HE1 HIS 33 -5.964 -7.953 4.758
296 HE2 HIS 33 HE2 HIS 33 -7.279 -9.907 3.815
297 H GLY 34 H GLY 34 -7.821 -4.241 -1.677
298 HA2 GLY 34 HA2 GLY 34 -8.078 -6.558 -3.546
299 HA3 GLY 34 HA3 GLY 34 -9.300 -5.289 -3.530
300 H ILE 35 H ILE 35 -6.395 -3.796 -2.880
301 HA ILE 35 HA ILE 35 -6.306 -2.332 -5.278
302 HB ILE 35 HB ILE 35 -4.269 -2.926 -3.145
303 HG12 ILE 35 HG12 ILE 35 -5.726 -0.478 -4.188
304 HG13 ILE 35 HG13 ILE 35 -5.860 -1.225 -2.599
305 HG21 ILE 35 HG21 ILE 35 -2.646 -1.417 -4.313
306 HG22 ILE 35 HG22 ILE 35 -3.697 -1.429 -5.722
307 HG23 ILE 35 HG23 ILE 35 -2.915 -2.914 -5.189
308 HD11 ILE 35 HD11 ILE 35 -3.178 -0.654 -2.711
309 HD12 ILE 35 HD12 ILE 35 -4.391 0.393 -1.970
310 HD13 ILE 35 HD13 ILE 35 -3.864 0.690 -3.624
311 H PHE 36 H PHE 36 -4.710 -5.384 -4.479
312 HA PHE 36 HA PHE 36 -3.310 -5.480 -7.042
313 HB2 PHE 36 HB2 PHE 36 -3.720 -7.565 -4.880
314 HB3 PHE 36 HB3 PHE 36 -2.660 -7.762 -6.277
315 HD1 PHE 36 HD2 PHE 36 -3.290 -5.652 -3.272
316 HD2 PHE 36 HD1 PHE 36 -0.497 -6.787 -6.328
317 HE1 PHE 36 HE2 PHE 36 -1.502 -4.395 -2.102
318 HE2 PHE 36 HE1 PHE 36 1.294 -5.525 -5.162
319 HZ PHE 36 HZ PHE 36 0.789 -4.328 -3.048
320 H GLY 37 H GLY 37 -3.920 -6.608 -8.865
321 HA2 GLY 37 HA2 GLY 37 -5.208 -8.412 -9.942
322 HA3 GLY 37 HA3 GLY 37 -6.472 -8.157 -8.738
323 H ARG 38 H ARG 38 -6.949 -8.118 -11.538
324 HA ARG 38 HA ARG 38 -7.714 -6.722 -13.295
325 HB2 ARG 38 HB2 ARG 38 -9.079 -5.576 -10.846
326 HB3 ARG 38 HB3 ARG 38 -9.595 -5.291 -12.506
327 HG2 ARG 38 HG2 ARG 38 -9.317 -8.072 -11.351
328 HG3 ARG 38 HG3 ARG 38 -10.819 -7.153 -11.254
329 HD2 ARG 38 HD2 ARG 38 -10.623 -6.865 -13.801
330 HD3 ARG 38 HD3 ARG 38 -9.386 -8.119 -13.738
331 HE ARG 38 HE ARG 38 -12.254 -8.531 -13.383
332 HH11 ARG 38 HH21 ARG 38 -9.049 -9.621 -12.731
333 HH12 ARG 38 HH22 ARG 38 -9.515 -11.273 -12.498
334 HH21 ARG 38 HH11 ARG 38 -12.882 -10.682 -13.084
335 HH22 ARG 38 HH12 ARG 38 -11.685 -11.874 -12.698
336 H HIS 39 H HIS 39 -8.560 -4.013 -13.150
337 HA HIS 39 HA HIS 39 -5.964 -2.705 -13.433
338 HB2 HIS 39 HB2 HIS 39 -8.740 -1.500 -13.611
339 HB3 HIS 39 HB3 HIS 39 -7.246 -0.804 -14.239
340 HD1 HIS 39 HD1 HIS 39 -9.453 -1.313 -16.256
341 HD2 HIS 39 HD2 HIS 39 -6.601 -4.199 -15.286
342 HE1 HIS 39 HE1 HIS 39 -9.385 -2.937 -18.202
343 HE2 HIS 39 HE2 HIS 39 -7.652 -4.696 -17.623
344 H SER 40 H SER 40 -6.096 -0.244 -12.491
345 HA SER 40 HA SER 40 -5.784 -0.561 -9.672
346 HB2 SER 40 HB2 SER 40 -5.252 1.756 -9.631
347 HB3 SER 40 HB3 SER 40 -4.665 1.167 -11.181
348 HG SER 40 HG SER 40 -6.371 2.098 -12.183
349 H GLY 41 H GLY 41 -6.981 0.690 -8.010
350 HA2 GLY 41 HA2 GLY 41 -8.967 1.260 -6.918
351 HA3 GLY 41 HA3 GLY 41 -9.576 1.790 -8.484
352 H GLN 42 H GLN 42 -9.571 -0.777 -6.148
353 HA GLN 42 HA GLN 42 -11.615 -2.198 -7.803
354 HB2 GLN 42 HB2 GLN 42 -9.339 -3.510 -6.289
355 HB3 GLN 42 HB3 GLN 42 -10.649 -4.367 -7.099
356 HG2 GLN 42 HG2 GLN 42 -9.425 -4.322 -8.983
357 HG3 GLN 42 HG3 GLN 42 -9.626 -2.572 -9.013
358 HE21 GLN 42 HE21 GLN 42 -7.760 -1.319 -8.696
359 HE22 GLN 42 HE22 GLN 42 -6.267 -1.940 -8.177
360 H ALA 43 H ALA 43 -11.081 -0.610 -4.983
361 HA ALA 43 HA ALA 43 -12.211 -2.437 -3.053
362 HB1 ALA 43 HB1 ALA 43 -12.370 -0.529 -1.594
363 HB2 ALA 43 HB2 ALA 43 -12.299 0.589 -2.955
364 HB3 ALA 43 HB3 ALA 43 -10.876 -0.356 -2.514
365 H GLU 44 H GLU 44 -14.291 -3.106 -2.958
366 HA GLU 44 HA GLU 44 -16.338 -2.063 -4.687
367 HB2 GLU 44 HB2 GLU 44 -16.532 -3.827 -2.227
368 HB3 GLU 44 HB3 GLU 44 -17.864 -3.517 -3.341
369 HG2 GLU 44 HG2 GLU 44 -16.493 -4.436 -5.200
370 HG3 GLU 44 HG3 GLU 44 -15.211 -4.806 -4.046
371 H GLY 45 H GLY 45 -15.517 -1.496 -1.289
372 HA2 GLY 45 HA2 GLY 45 -17.846 0.298 -0.965
373 HA3 GLY 45 HA3 GLY 45 -16.686 -0.129 0.296
374 H TYR 46 H TYR 46 -14.386 0.708 -0.159
375 HA TYR 46 HA TYR 46 -14.416 3.542 -0.338
376 HB2 TYR 46 HB2 TYR 46 -12.573 2.382 0.747
377 HB3 TYR 46 HB3 TYR 46 -12.141 1.583 -0.763
378 HD1 TYR 46 HD2 TYR 46 -12.173 4.804 1.054
379 HD2 TYR 46 HD1 TYR 46 -11.031 2.757 -2.541
380 HE1 TYR 46 HE2 TYR 46 -10.759 6.731 0.407
381 HE2 TYR 46 HE1 TYR 46 -9.615 4.677 -3.194
382 HH TYR 46 HH TYR 46 -9.621 7.679 -1.321
383 H SER 47 H SER 47 -13.726 4.942 -2.051
384 HA SER 47 HA SER 47 -13.755 3.676 -4.766
385 HB2 SER 47 HB2 SER 47 -14.954 5.632 -5.594
386 HB3 SER 47 HB3 SER 47 -15.852 4.930 -4.252
387 HG SER 47 HG SER 47 -15.216 6.561 -2.961
388 H TYR 48 H TYR 48 -12.435 4.726 -6.355
389 HA TYR 48 HA TYR 48 -10.272 6.424 -5.171
390 HB2 TYR 48 HB2 TYR 48 -10.188 4.624 -7.614
391 HB3 TYR 48 HB3 TYR 48 -8.842 5.579 -6.995
392 HD1 TYR 48 HD2 TYR 48 -11.249 2.888 -6.036
393 HD2 TYR 48 HD1 TYR 48 -7.440 4.733 -5.304
394 HE1 TYR 48 HE2 TYR 48 -10.661 1.056 -4.473
395 HE2 TYR 48 HE1 TYR 48 -6.853 2.901 -3.738
396 HH TYR 48 HH TYR 48 -8.463 0.010 -3.610
397 H THR 49 H THR 49 -9.391 8.091 -6.645
398 HA THR 49 HA THR 49 -11.508 9.572 -7.945
399 HB THR 49 HB THR 49 -10.008 11.278 -7.915
400 HG1 THR 49 HG1 THR 49 -8.402 9.385 -9.228
401 HG21 THR 49 HG21 THR 49 -8.260 11.065 -6.334
402 HG22 THR 49 HG22 THR 49 -8.011 9.361 -6.717
403 HG23 THR 49 HG23 THR 49 -9.451 9.868 -5.831
404 H ASP 50 H ASP 50 -11.499 10.137 -10.270
405 HA ASP 50 HA ASP 50 -11.386 7.883 -11.972
406 HB2 ASP 50 HB2 ASP 50 -11.213 10.837 -12.633
407 HB3 ASP 50 HB3 ASP 50 -11.430 9.570 -13.841
408 H ALA 51 H ALA 51 -8.928 10.270 -11.151
409 HA ALA 51 HA ALA 51 -7.029 9.860 -13.142
410 HB1 ALA 51 HB1 ALA 51 -6.582 10.191 -10.164
411 HB2 ALA 51 HB2 ALA 51 -6.665 11.475 -11.370
412 HB3 ALA 51 HB3 ALA 51 -5.313 10.343 -11.382
413 H ASN 52 H ASN 52 -7.279 7.910 -10.126
414 HA ASN 52 HA ASN 52 -5.239 6.049 -10.860
415 HB2 ASN 52 HB2 ASN 52 -6.276 6.273 -8.574
416 HB3 ASN 52 HB3 ASN 52 -7.695 5.429 -9.198
417 HD21 ASN 52 HD21 ASN 52 -7.402 3.464 -7.981
418 HD22 ASN 52 HD22 ASN 52 -6.082 2.429 -8.223
419 H ILE 53 H ILE 53 -8.748 6.003 -11.439
420 HA ILE 53 HA ILE 53 -8.797 3.422 -12.701
421 HB ILE 53 HB ILE 53 -10.697 5.759 -13.035
422 HG12 ILE 53 HG12 ILE 53 -10.832 3.361 -11.180
423 HG13 ILE 53 HG13 ILE 53 -10.351 4.983 -10.678
424 HG21 ILE 53 HG21 ILE 53 -10.972 2.795 -13.617
425 HG22 ILE 53 HG22 ILE 53 -11.002 4.105 -14.796
426 HG23 ILE 53 HG23 ILE 53 -12.313 3.940 -13.629
427 HD11 ILE 53 HD11 ILE 53 -12.507 5.592 -10.479
428 HD12 ILE 53 HD12 ILE 53 -12.986 3.945 -10.890
429 HD13 ILE 53 HD13 ILE 53 -12.807 5.154 -12.162
430 H LYS 54 H LYS 54 -8.566 6.720 -14.073
431 HA LYS 54 HA LYS 54 -8.734 5.985 -16.796
432 HB2 LYS 54 HB2 LYS 54 -7.240 8.243 -15.450
433 HB3 LYS 54 HB3 LYS 54 -7.408 8.096 -17.197
434 HG2 LYS 54 HG2 LYS 54 -9.884 8.057 -16.923
435 HG3 LYS 54 HG3 LYS 54 -9.672 8.322 -15.195
436 HD2 LYS 54 HD2 LYS 54 -8.429 10.427 -15.712
437 HD3 LYS 54 HD3 LYS 54 -8.788 10.180 -17.422
438 HE2 LYS 54 HE2 LYS 54 -11.253 9.890 -16.111
439 HE3 LYS 54 HE3 LYS 54 -10.484 11.277 -15.339
440 HZ1 LYS 54 HZ1 LYS 54 -11.526 11.008 -18.002
441 HZ2 LYS 54 HZ2 LYS 54 -9.955 11.655 -17.966
442 HZ3 LYS 54 HZ3 LYS 54 -11.207 12.408 -17.100
443 H LYS 55 H LYS 55 -5.958 5.929 -14.604
444 HA LYS 55 HA LYS 55 -3.939 5.529 -16.557
445 HB2 LYS 55 HB2 LYS 55 -3.504 5.955 -14.129
446 HB3 LYS 55 HB3 LYS 55 -4.047 4.315 -13.778
447 HG2 LYS 55 HG2 LYS 55 -1.718 4.065 -13.919
448 HG3 LYS 55 HG3 LYS 55 -2.249 3.596 -15.530
449 HD2 LYS 55 HD2 LYS 55 -1.737 5.846 -16.377
450 HD3 LYS 55 HD3 LYS 55 -1.266 6.361 -14.758
451 HE2 LYS 55 HE2 LYS 55 0.218 4.041 -15.183
452 HE3 LYS 55 HE3 LYS 55 0.261 4.863 -16.741
453 HZ1 LYS 55 HZ1 LYS 55 1.474 5.607 -14.241
454 HZ2 LYS 55 HZ2 LYS 55 0.639 6.881 -14.992
455 HZ3 LYS 55 HZ3 LYS 55 1.879 6.068 -15.821
456 H ASN 56 H ASN 56 -6.210 3.267 -15.068
457 HA ASN 56 HA ASN 56 -6.724 1.048 -15.624
458 HB2 ASN 56 HB2 ASN 56 -6.931 2.242 -17.901
459 HB3 ASN 56 HB3 ASN 56 -5.347 1.556 -18.262
460 HD21 ASN 56 HD21 ASN 56 -6.234 -0.837 -16.416
461 HD22 ASN 56 HD22 ASN 56 -7.177 -1.782 -17.462
462 H VAL 57 H VAL 57 -4.503 1.237 -14.076
463 HA VAL 57 HA VAL 57 -2.601 -0.704 -15.320
464 HB VAL 57 HB VAL 57 -1.566 1.513 -14.879
465 HG11 VAL 57 HG11 VAL 57 -1.327 2.281 -12.555
466 HG12 VAL 57 HG12 VAL 57 -2.272 0.906 -11.990
467 HG13 VAL 57 HG13 VAL 57 -3.032 2.150 -12.983
468 HG21 VAL 57 HG21 VAL 57 -0.704 -1.047 -13.848
469 HG22 VAL 57 HG22 VAL 57 -0.092 0.253 -12.824
470 HG23 VAL 57 HG23 VAL 57 0.269 0.246 -14.550
471 H LEU 58 H LEU 58 -2.109 -2.528 -14.095
472 HA LEU 58 HA LEU 58 -3.899 -3.030 -11.806
473 HB2 LEU 58 HB2 LEU 58 -2.707 -5.330 -11.925
474 HB3 LEU 58 HB3 LEU 58 -3.775 -4.889 -13.251
475 HG LEU 58 HG LEU 58 -0.899 -4.112 -13.455
476 HD11 LEU 58 HD11 LEU 58 -0.499 -6.382 -14.532
477 HD12 LEU 58 HD12 LEU 58 -2.008 -6.908 -13.785
478 HD13 LEU 58 HD13 LEU 58 -0.652 -6.400 -12.775
479 HD21 LEU 58 HD21 LEU 58 -1.377 -3.983 -15.702
480 HD22 LEU 58 HD22 LEU 58 -3.021 -3.784 -15.096
481 HD23 LEU 58 HD23 LEU 58 -2.473 -5.364 -15.652
482 H TRP 59 H TRP 59 -3.224 -2.626 -9.763
483 HA TRP 59 HA TRP 59 -0.564 -1.761 -9.162
484 HB2 TRP 59 HB2 TRP 59 -2.913 -2.619 -7.492
485 HB3 TRP 59 HB3 TRP 59 -1.369 -2.251 -6.738
486 HD1 TRP 59 HD1 TRP 59 -4.434 -0.647 -7.932
487 HE1 TRP 59 HE1 TRP 59 -4.170 1.928 -8.009
488 HE3 TRP 59 HE3 TRP 59 0.605 -0.304 -7.347
489 HZ2 TRP 59 HZ2 TRP 59 -2.063 3.858 -7.825
490 HZ3 TRP 59 HZ3 TRP 59 1.723 1.902 -7.294
491 HH2 TRP 59 HH2 TRP 59 0.398 3.981 -7.530
492 H ASP 60 H ASP 60 1.225 -2.910 -8.623
493 HA ASP 60 HA ASP 60 0.957 -5.693 -7.677
494 HB2 ASP 60 HB2 ASP 60 2.592 -6.519 -9.362
495 HB3 ASP 60 HB3 ASP 60 1.085 -5.981 -10.100
496 H GLU 61 H GLU 61 3.447 -6.506 -7.450
497 HA GLU 61 HA GLU 61 4.558 -4.864 -5.403
498 HB2 GLU 61 HB2 GLU 61 5.861 -7.045 -7.055
499 HB3 GLU 61 HB3 GLU 61 6.550 -6.351 -5.588
500 HG2 GLU 61 HG2 GLU 61 4.525 -7.045 -4.330
501 HG3 GLU 61 HG3 GLU 61 3.896 -7.800 -5.795
502 H ASN 62 H ASN 62 5.363 -5.137 -8.853
503 HA ASN 62 HA ASN 62 7.684 -3.448 -8.745
504 HB2 ASN 62 HB2 ASN 62 5.766 -4.035 -11.017
505 HB3 ASN 62 HB3 ASN 62 7.301 -3.188 -11.205
506 HD21 ASN 62 HD21 ASN 62 6.837 -5.681 -12.528
507 HD22 ASN 62 HD22 ASN 62 7.853 -6.854 -11.839
508 H ASN 63 H ASN 63 4.270 -2.760 -9.443
509 HA ASN 63 HA ASN 63 4.580 0.024 -9.984
510 HB2 ASN 63 HB2 ASN 63 2.215 -1.463 -8.798
511 HB3 ASN 63 HB3 ASN 63 2.158 0.180 -9.437
512 HD21 ASN 63 HD21 ASN 63 0.613 -2.029 -10.538
513 HD22 ASN 63 HD22 ASN 63 1.167 -2.301 -12.118
514 H MET 64 H MET 64 4.057 -1.760 -6.965
515 HA MET 64 HA MET 64 3.671 0.503 -5.277
516 HB2 MET 64 HB2 MET 64 4.780 -2.258 -4.727
517 HB3 MET 64 HB3 MET 64 4.486 -1.069 -3.456
518 HG2 MET 64 HG2 MET 64 2.387 -2.030 -5.418
519 HG3 MET 64 HG3 MET 64 2.572 -2.653 -3.779
520 HE1 MET 64 HE1 MET 64 -0.555 -0.132 -4.448
521 HE2 MET 64 HE2 MET 64 -0.316 -1.637 -3.563
522 HE3 MET 64 HE3 MET 64 0.194 -1.521 -5.244
523 H SER 65 H SER 65 6.636 -1.100 -6.403
524 HA SER 65 HA SER 65 8.461 0.247 -4.688
525 HB2 SER 65 HB2 SER 65 8.922 -0.546 -7.577
526 HB3 SER 65 HB3 SER 65 10.162 -0.271 -6.357
527 HG SER 65 HG SER 65 9.873 -2.257 -5.766
528 H GLU 66 H GLU 66 7.122 1.183 -7.845
529 HA GLU 66 HA GLU 66 8.566 3.679 -7.989
530 HB2 GLU 66 HB2 GLU 66 6.027 2.740 -9.356
531 HB3 GLU 66 HB3 GLU 66 6.890 4.221 -9.764
532 HG2 GLU 66 HG2 GLU 66 8.923 2.881 -10.255
533 HG3 GLU 66 HG3 GLU 66 8.011 1.410 -9.915
534 H TYR 67 H TYR 67 5.487 2.672 -6.630
535 HA TYR 67 HA TYR 67 4.310 5.225 -6.250
536 HB2 TYR 67 HB2 TYR 67 3.023 3.197 -5.953
537 HB3 TYR 67 HB3 TYR 67 4.077 2.664 -4.650
538 HD1 TYR 67 HD2 TYR 67 2.378 5.952 -5.395
539 HD2 TYR 67 HD1 TYR 67 2.946 2.707 -2.638
540 HE1 TYR 67 HE2 TYR 67 0.951 7.111 -3.734
541 HE2 TYR 67 HE1 TYR 67 1.512 3.863 -0.985
542 HH TYR 67 HH TYR 67 0.709 7.082 -1.179
543 H LEU 68 H LEU 68 6.444 3.352 -4.068
544 HA LEU 68 HA LEU 68 6.451 5.439 -2.051
545 HB2 LEU 68 HB2 LEU 68 8.016 2.914 -2.508
546 HB3 LEU 68 HB3 LEU 68 8.521 4.059 -1.266
547 HG LEU 68 HG LEU 68 6.389 3.901 -0.152
548 HD11 LEU 68 HD11 LEU 68 5.586 2.254 -2.561
549 HD12 LEU 68 HD12 LEU 68 4.889 3.782 -2.028
550 HD13 LEU 68 HD13 LEU 68 4.640 2.321 -1.075
551 HD21 LEU 68 HD21 LEU 68 6.566 1.722 0.684
552 HD22 LEU 68 HD22 LEU 68 8.159 1.966 -0.031
553 HD23 LEU 68 HD23 LEU 68 6.934 1.042 -0.900
554 H THR 69 H THR 69 8.699 4.461 -4.625
555 HA THR 69 HA THR 69 10.683 6.451 -3.928
556 HB THR 69 HB THR 69 11.735 5.864 -6.041
557 HG1 THR 69 HG1 THR 69 9.171 4.838 -6.568
558 HG21 THR 69 HG21 THR 69 12.374 4.030 -4.901
559 HG22 THR 69 HG22 THR 69 11.059 3.170 -5.701
560 HG23 THR 69 HG23 THR 69 10.800 3.899 -4.116
561 H ASN 70 H ASN 70 8.066 6.338 -6.350
562 HA ASN 70 HA ASN 70 8.223 9.309 -6.482
563 HB2 ASN 70 HB2 ASN 70 8.106 7.437 -8.864
564 HB3 ASN 70 HB3 ASN 70 7.883 9.185 -8.955
565 HD21 ASN 70 HD21 ASN 70 10.045 7.926 -10.330
566 HD22 ASN 70 HD22 ASN 70 11.501 8.394 -9.594
567 H HIS 71 H HIS 71 6.226 10.159 -6.149
568 HA HIS 71 HA HIS 71 3.848 8.801 -7.230
569 HB2 HIS 71 HB2 HIS 71 2.757 9.003 -4.893
570 HB3 HIS 71 HB3 HIS 71 3.871 7.664 -5.162
571 HD1 HIS 71 HD1 HIS 71 3.184 10.091 -2.699
572 HD2 HIS 71 HD2 HIS 71 6.724 8.723 -4.429
573 HE1 HIS 71 HE1 HIS 71 5.051 10.717 -1.103
574 HE2 HIS 71 HE2 HIS 71 7.210 9.889 -2.147
575 H ALA 72 H ALA 72 2.389 10.331 -7.873
576 HA ALA 72 HA ALA 72 1.568 12.643 -6.591
577 HB1 ALA 72 HB1 ALA 72 4.203 13.000 -7.967
578 HB2 ALA 72 HB2 ALA 72 3.592 13.765 -6.500
579 HB3 ALA 72 HB3 ALA 72 3.029 14.312 -8.077
580 H LYS 73 H LYS 73 2.761 13.548 -9.689
581 HA LYS 73 HA LYS 73 0.180 13.833 -10.828
582 HB2 LYS 73 HB2 LYS 73 2.260 14.946 -11.670
583 HB3 LYS 73 HB3 LYS 73 2.781 13.393 -12.325
584 HG2 LYS 73 HG2 LYS 73 0.706 13.295 -13.690
585 HG3 LYS 73 HG3 LYS 73 0.251 14.885 -13.075
586 HD2 LYS 73 HD2 LYS 73 2.392 15.801 -13.992
587 HD3 LYS 73 HD3 LYS 73 2.714 14.223 -14.713
588 HE2 LYS 73 HE2 LYS 73 1.297 14.617 -16.423
589 HE3 LYS 73 HE3 LYS 73 0.025 15.165 -15.331
590 HZ1 LYS 73 HZ1 LYS 73 0.638 17.310 -15.543
591 HZ2 LYS 73 HZ2 LYS 73 1.263 16.772 -17.028
592 HZ3 LYS 73 HZ3 LYS 73 2.290 16.954 -15.687
593 H TYR 74 H TYR 74 2.422 11.121 -10.850
594 HA TYR 74 HA TYR 74 1.297 9.519 -12.868
595 HB2 TYR 74 HB2 TYR 74 3.269 8.679 -11.951
596 HB3 TYR 74 HB3 TYR 74 2.725 8.938 -10.294
597 HD1 TYR 74 HD2 TYR 74 1.036 7.241 -13.177
598 HD2 TYR 74 HD1 TYR 74 2.722 6.860 -9.250
599 HE1 TYR 74 HE2 TYR 74 0.237 4.894 -13.062
600 HE2 TYR 74 HE1 TYR 74 1.930 4.515 -9.131
601 HH TYR 74 HH TYR 74 1.077 2.734 -11.670
602 H ILE 75 H ILE 75 0.327 9.762 -9.444
603 HA ILE 75 HA ILE 75 -2.212 8.337 -10.172
604 HB ILE 75 HB ILE 75 -2.048 8.061 -7.461
605 HG12 ILE 75 HG12 ILE 75 0.792 7.830 -8.487
606 HG13 ILE 75 HG13 ILE 75 0.201 9.191 -7.534
607 HG21 ILE 75 HG21 ILE 75 -2.477 6.097 -8.640
608 HG22 ILE 75 HG22 ILE 75 -0.814 5.806 -8.138
609 HG23 ILE 75 HG23 ILE 75 -1.153 6.370 -9.772
610 HD11 ILE 75 HD11 ILE 75 1.118 7.778 -5.903
611 HD12 ILE 75 HD12 ILE 75 0.538 6.318 -6.705
612 HD13 ILE 75 HD13 ILE 75 -0.596 7.367 -5.854
613 HA PRO 76 HA PRO 76 -4.855 11.653 -8.985
614 HB2 PRO 76 HB2 PRO 76 -5.650 10.495 -6.425
615 HB3 PRO 76 HB3 PRO 76 -6.616 10.736 -7.888
616 HG2 PRO 76 HG2 PRO 76 -5.320 8.325 -6.925
617 HG3 PRO 76 HG3 PRO 76 -6.507 8.519 -8.224
618 HD2 PRO 76 HD2 PRO 76 -3.893 7.839 -8.675
619 HD3 PRO 76 HD3 PRO 76 -4.883 8.707 -9.858
620 H GLY 77 H GLY 77 -4.833 13.516 -7.598
621 HA2 GLY 77 HA2 GLY 77 -2.349 14.057 -6.279
622 HA3 GLY 77 HA3 GLY 77 -3.793 15.064 -6.172
623 H THR 78 H THR 78 -4.424 11.854 -5.290
624 HA THR 78 HA THR 78 -5.361 12.287 -2.744
625 HB THR 78 HB THR 78 -5.304 10.087 -4.041
626 HG1 THR 78 HG1 THR 78 -4.970 10.479 -1.319
627 HG21 THR 78 HG21 THR 78 -2.751 9.549 -2.548
628 HG22 THR 78 HG22 THR 78 -2.691 10.296 -4.146
629 HG23 THR 78 HG23 THR 78 -3.421 8.703 -3.943
630 H LYS 79 H LYS 79 -4.452 13.120 -0.930
631 HA LYS 79 HA LYS 79 -1.498 13.202 -0.714
632 HB2 LYS 79 HB2 LYS 79 -2.937 15.237 -0.249
633 HB3 LYS 79 HB3 LYS 79 -3.556 14.389 1.169
634 HG2 LYS 79 HG2 LYS 79 -1.234 14.161 2.021
635 HG3 LYS 79 HG3 LYS 79 -0.651 15.075 0.630
636 HD2 LYS 79 HD2 LYS 79 -2.149 16.968 1.324
637 HD3 LYS 79 HD3 LYS 79 -2.537 16.063 2.787
638 HE2 LYS 79 HE2 LYS 79 -0.760 17.556 3.378
639 HE3 LYS 79 HE3 LYS 79 -0.034 15.955 3.240
640 HZ1 LYS 79 HZ1 LYS 79 0.308 18.297 1.559
641 HZ2 LYS 79 HZ2 LYS 79 0.204 16.811 0.741
642 HZ3 LYS 79 HZ3 LYS 79 1.401 17.051 1.922
643 H MET 80 H MET 80 -0.440 11.700 0.504
644 HA MET 80 HA MET 80 -2.067 10.109 2.445
645 HB2 MET 80 HB2 MET 80 -1.057 8.888 0.477
646 HB3 MET 80 HB3 MET 80 0.534 9.293 1.123
647 HG2 MET 80 HG2 MET 80 0.299 7.889 2.953
648 HG3 MET 80 HG3 MET 80 -1.459 7.996 2.946
649 HE1 MET 80 HE1 MET 80 1.480 6.044 2.367
650 HE2 MET 80 HE2 MET 80 1.619 6.715 0.744
651 HE3 MET 80 HE3 MET 80 1.249 5.006 0.956
652 H ALA 81 H ALA 81 -1.460 10.135 4.562
653 HA ALA 81 HA ALA 81 0.443 12.052 5.508
654 HB1 ALA 81 HB1 ALA 81 -0.184 9.820 7.331
655 HB2 ALA 81 HB2 ALA 81 -1.598 10.623 6.648
656 HB3 ALA 81 HB3 ALA 81 -0.408 11.555 7.556
657 H PHE 82 H PHE 82 0.705 8.603 4.799
658 HA PHE 82 HA PHE 82 3.459 8.576 5.914
659 HB2 PHE 82 HB2 PHE 82 1.859 6.682 6.377
660 HB3 PHE 82 HB3 PHE 82 1.901 6.299 4.657
661 HD1 PHE 82 HD2 PHE 82 4.032 5.563 3.582
662 HD2 PHE 82 HD1 PHE 82 3.710 6.150 7.828
663 HE1 PHE 82 HE2 PHE 82 6.116 4.270 3.923
664 HE2 PHE 82 HE1 PHE 82 5.804 4.853 8.165
665 HZ PHE 82 HZ PHE 82 7.003 3.925 6.207
666 H GLY 83 H GLY 83 5.180 8.847 4.591
667 HA2 GLY 83 HA2 GLY 83 4.747 8.564 1.642
668 HA3 GLY 83 HA3 GLY 83 5.883 9.707 2.360
669 H GLY 84 H GLY 84 6.836 7.828 4.376
670 HA2 GLY 84 HA2 GLY 84 7.863 5.452 3.093
671 HA3 GLY 84 HA3 GLY 84 9.075 6.731 3.116
672 H LEU 85 H LEU 85 9.810 4.610 4.544
673 HA LEU 85 HA LEU 85 9.125 5.272 7.383
674 HB2 LEU 85 HB2 LEU 85 8.966 2.813 6.095
675 HB3 LEU 85 HB3 LEU 85 10.506 2.729 6.946
676 HG LEU 85 HG LEU 85 7.849 3.480 8.202
677 HD11 LEU 85 HD11 LEU 85 7.556 1.300 8.630
678 HD12 LEU 85 HD12 LEU 85 9.182 1.171 9.304
679 HD13 LEU 85 HD13 LEU 85 8.924 0.954 7.572
680 HD21 LEU 85 HD21 LEU 85 10.679 3.539 9.119
681 HD22 LEU 85 HD22 LEU 85 9.464 2.982 10.271
682 HD23 LEU 85 HD23 LEU 85 9.330 4.588 9.552
683 H LYS 86 H LYS 86 10.867 5.564 8.839
684 HA LYS 86 HA LYS 86 13.254 6.695 7.835
685 HB2 LYS 86 HB2 LYS 86 12.749 5.360 10.514
686 HB3 LYS 86 HB3 LYS 86 14.148 6.368 10.145
687 HG2 LYS 86 HG2 LYS 86 12.595 8.242 9.579
688 HG3 LYS 86 HG3 LYS 86 11.242 7.232 10.089
689 HD2 LYS 86 HD2 LYS 86 12.309 7.014 12.339
690 HD3 LYS 86 HD3 LYS 86 13.561 8.143 11.817
691 HE2 LYS 86 HE2 LYS 86 12.195 9.784 12.557
692 HE3 LYS 86 HE3 LYS 86 11.202 9.443 11.140
693 HZ1 LYS 86 HZ1 LYS 86 9.821 8.030 12.365
694 HZ2 LYS 86 HZ2 LYS 86 10.059 9.374 13.377
695 HZ3 LYS 86 HZ3 LYS 86 10.907 7.929 13.664
696 H LYS 87 H LYS 87 12.498 3.348 8.720
697 HA LYS 87 HA LYS 87 15.247 2.549 7.886
698 HB2 LYS 87 HB2 LYS 87 13.073 1.009 9.341
699 HB3 LYS 87 HB3 LYS 87 14.647 0.345 8.899
700 HG2 LYS 87 HG2 LYS 87 15.741 2.159 10.223
701 HG3 LYS 87 HG3 LYS 87 14.144 2.702 10.738
702 HD2 LYS 87 HD2 LYS 87 13.722 0.436 11.694
703 HD3 LYS 87 HD3 LYS 87 15.373 -0.018 11.269
704 HE2 LYS 87 HE2 LYS 87 15.496 0.661 13.544
705 HE3 LYS 87 HE3 LYS 87 16.112 2.035 12.626
706 HZ1 LYS 87 HZ1 LYS 87 14.595 3.192 13.757
707 HZ2 LYS 87 HZ2 LYS 87 13.722 1.809 14.217
708 HZ3 LYS 87 HZ3 LYS 87 13.461 2.514 12.693
709 H GLU 88 H GLU 88 15.394 2.007 5.772
710 HA GLU 88 HA GLU 88 13.121 1.475 4.104
711 HB2 GLU 88 HB2 GLU 88 16.068 0.916 3.666
712 HB3 GLU 88 HB3 GLU 88 14.831 0.794 2.413
713 HG2 GLU 88 HG2 GLU 88 14.245 3.180 2.789
714 HG3 GLU 88 HG3 GLU 88 15.541 3.292 3.980
715 H LYS 89 H LYS 89 15.415 -0.655 5.782
716 HA LYS 89 HA LYS 89 14.645 -3.092 4.537
717 HB2 LYS 89 HB2 LYS 89 16.606 -2.815 6.072
718 HB3 LYS 89 HB3 LYS 89 15.480 -2.714 7.427
719 HG2 LYS 89 HG2 LYS 89 14.593 -4.957 6.831
720 HG3 LYS 89 HG3 LYS 89 15.778 -5.061 5.528
721 HD2 LYS 89 HD2 LYS 89 17.593 -4.758 7.236
722 HD3 LYS 89 HD3 LYS 89 16.360 -4.842 8.495
723 HE2 LYS 89 HE2 LYS 89 15.784 -7.061 6.963
724 HE3 LYS 89 HE3 LYS 89 17.545 -7.002 6.892
725 HZ1 LYS 89 HZ1 LYS 89 16.743 -6.441 9.514
726 HZ2 LYS 89 HZ2 LYS 89 17.624 -7.778 8.945
727 HZ3 LYS 89 HZ3 LYS 89 15.928 -7.842 9.012
728 H ASP 90 H ASP 90 13.369 -1.522 7.474
729 HA ASP 90 HA ASP 90 11.386 -3.508 8.019
730 HB2 ASP 90 HB2 ASP 90 11.512 -0.557 8.694
731 HB3 ASP 90 HB3 ASP 90 10.291 -1.656 9.329
732 H ARG 91 H ARG 91 11.334 -0.547 6.062
733 HA ARG 91 HA ARG 91 8.560 -0.514 5.465
734 HB2 ARG 91 HB2 ARG 91 10.204 1.306 4.913
735 HB3 ARG 91 HB3 ARG 91 10.812 0.293 3.604
736 HG2 ARG 91 HG2 ARG 91 8.604 0.268 2.553
737 HG3 ARG 91 HG3 ARG 91 7.935 1.206 3.888
738 HD2 ARG 91 HD2 ARG 91 8.397 2.753 2.101
739 HD3 ARG 91 HD3 ARG 91 9.624 3.010 3.341
740 HE ARG 91 HE ARG 91 10.446 1.101 1.292
741 HH11 ARG 91 HH21 ARG 91 10.183 4.402 2.251
742 HH12 ARG 91 HH22 ARG 91 11.484 4.938 1.242
743 HH21 ARG 91 HH11 ARG 91 12.147 1.782 -0.032
744 HH22 ARG 91 HH12 ARG 91 12.596 3.455 -0.051
745 H ASN 92 H ASN 92 11.240 -2.246 3.906
746 HA ASN 92 HA ASN 92 9.802 -3.270 1.689
747 HB2 ASN 92 HB2 ASN 92 12.089 -4.489 3.261
748 HB3 ASN 92 HB3 ASN 92 11.530 -5.074 1.697
749 HD21 ASN 92 HD21 ASN 92 14.192 -4.073 2.031
750 HD22 ASN 92 HD22 ASN 92 14.335 -2.627 1.152
751 H ASP 93 H ASP 93 10.125 -4.502 5.003
752 HA ASP 93 HA ASP 93 8.809 -6.987 4.611
753 HB2 ASP 93 HB2 ASP 93 8.917 -5.168 7.032
754 HB3 ASP 93 HB3 ASP 93 8.283 -6.810 7.063
755 H LEU 94 H LEU 94 7.532 -3.744 5.227
756 HA LEU 94 HA LEU 94 4.818 -4.459 5.672
757 HB2 LEU 94 HB2 LEU 94 5.982 -1.982 4.368
758 HB3 LEU 94 HB3 LEU 94 4.331 -2.134 4.954
759 HG LEU 94 HG LEU 94 6.830 -2.408 6.648
760 HD11 LEU 94 HD11 LEU 94 4.703 -0.264 6.787
761 HD12 LEU 94 HD12 LEU 94 6.155 -0.082 5.802
762 HD13 LEU 94 HD13 LEU 94 6.293 -0.269 7.551
763 HD21 LEU 94 HD21 LEU 94 4.809 -2.105 8.404
764 HD22 LEU 94 HD22 LEU 94 5.337 -3.692 7.843
765 HD23 LEU 94 HD23 LEU 94 3.930 -2.920 7.111
766 H ILE 95 H ILE 95 6.573 -3.782 2.649
767 HA ILE 95 HA ILE 95 4.385 -3.834 0.877
768 HB ILE 95 HB ILE 95 7.139 -4.974 0.334
769 HG12 ILE 95 HG12 ILE 95 7.490 -2.797 1.295
770 HG13 ILE 95 HG13 ILE 95 7.614 -2.598 -0.453
771 HG21 ILE 95 HG21 ILE 95 4.912 -3.846 -1.354
772 HG22 ILE 95 HG22 ILE 95 5.705 -5.412 -1.499
773 HG23 ILE 95 HG23 ILE 95 6.569 -3.943 -1.948
774 HD11 ILE 95 HD11 ILE 95 5.083 -2.045 -0.362
775 HD12 ILE 95 HD12 ILE 95 6.214 -0.820 0.208
776 HD13 ILE 95 HD13 ILE 95 5.341 -1.820 1.368
777 H THR 96 H THR 96 6.408 -6.536 2.022
778 HA THR 96 HA THR 96 5.099 -8.587 0.549
779 HB THR 96 HB THR 96 6.271 -8.859 3.332
780 HG1 THR 96 HG1 THR 96 7.948 -8.086 2.292
781 HG21 THR 96 HG21 THR 96 6.752 -10.985 1.408
782 HG22 THR 96 HG22 THR 96 5.026 -10.702 1.635
783 HG23 THR 96 HG23 THR 96 6.047 -11.080 3.023
784 H TYR 97 H TYR 97 4.364 -7.159 3.717
785 HA TYR 97 HA TYR 97 2.271 -8.937 4.451
786 HB2 TYR 97 HB2 TYR 97 3.273 -7.313 6.014
787 HB3 TYR 97 HB3 TYR 97 2.548 -5.988 5.103
788 HD1 TYR 97 HD1 TYR 97 1.838 -8.926 7.243
789 HD2 TYR 97 HD2 TYR 97 0.199 -5.481 5.270
790 HE1 TYR 97 HE1 TYR 97 -0.271 -9.199 8.519
791 HE2 TYR 97 HE2 TYR 97 -1.911 -5.754 6.545
792 HH TYR 97 HH TYR 97 -3.042 -8.072 7.752
793 H LEU 98 H LEU 98 2.193 -5.958 2.484
794 HA LEU 98 HA LEU 98 -0.622 -5.750 2.239
795 HB2 LEU 98 HB2 LEU 98 1.489 -5.102 0.159
796 HB3 LEU 98 HB3 LEU 98 -0.166 -4.501 0.167
797 HG LEU 98 HG LEU 98 1.943 -3.963 2.273
798 HD11 LEU 98 HD11 LEU 98 0.504 -1.888 0.653
799 HD12 LEU 98 HD12 LEU 98 1.858 -2.755 -0.072
800 HD13 LEU 98 HD13 LEU 98 2.102 -1.811 1.398
801 HD21 LEU 98 HD21 LEU 98 -1.017 -3.497 2.153
802 HD22 LEU 98 HD22 LEU 98 -0.001 -2.295 2.951
803 HD23 LEU 98 HD23 LEU 98 -0.017 -3.961 3.529
804 H LYS 99 H LYS 99 1.705 -7.710 0.415
805 HA LYS 99 HA LYS 99 -0.090 -8.672 -1.567
806 HB2 LYS 99 HB2 LYS 99 2.390 -9.073 -1.552
807 HB3 LYS 99 HB3 LYS 99 2.152 -10.227 -0.239
808 HG2 LYS 99 HG2 LYS 99 0.723 -11.607 -1.657
809 HG3 LYS 99 HG3 LYS 99 0.824 -10.422 -2.957
810 HD2 LYS 99 HD2 LYS 99 2.393 -12.223 -3.421
811 HD3 LYS 99 HD3 LYS 99 3.299 -10.763 -3.024
812 HE2 LYS 99 HE2 LYS 99 4.023 -12.990 -1.902
813 HE3 LYS 99 HE3 LYS 99 3.884 -11.559 -0.885
814 HZ1 LYS 99 HZ1 LYS 99 2.729 -13.848 -0.283
815 HZ2 LYS 99 HZ2 LYS 99 1.485 -13.180 -1.226
816 HZ3 LYS 99 HZ3 LYS 99 2.053 -12.353 0.146
817 H LYS 100 H LYS 100 0.548 -9.724 1.750
818 HA LYS 100 HA LYS 100 -1.081 -12.067 1.711
819 HB2 LYS 100 HB2 LYS 100 0.552 -11.488 3.517
820 HB3 LYS 100 HB3 LYS 100 -0.557 -10.229 4.063
821 HG2 LYS 100 HG2 LYS 100 -2.293 -11.887 4.498
822 HG3 LYS 100 HG3 LYS 100 -1.271 -13.168 3.845
823 HD2 LYS 100 HD2 LYS 100 -1.104 -13.240 6.259
824 HD3 LYS 100 HD3 LYS 100 0.424 -12.629 5.623
825 HE2 LYS 100 HE2 LYS 100 -0.030 -10.428 6.290
826 HE3 LYS 100 HE3 LYS 100 -1.767 -10.713 6.388
827 HZ1 LYS 100 HZ1 LYS 100 0.342 -11.403 8.298
828 HZ2 LYS 100 HZ2 LYS 100 -1.010 -12.427 8.193
829 HZ3 LYS 100 HZ3 LYS 100 -1.211 -10.785 8.581
830 H ALA 101 H ALA 101 -1.865 -8.647 2.220
831 HA ALA 101 HA ALA 101 -4.496 -9.013 3.232
832 HB1 ALA 101 HB1 ALA 101 -4.536 -6.755 3.176
833 HB2 ALA 101 HB2 ALA 101 -4.296 -6.733 1.429
834 HB3 ALA 101 HB3 ALA 101 -2.905 -6.833 2.508
835 H THR 102 H THR 102 -3.270 -8.967 -0.100
836 HA THR 102 HA THR 102 -5.898 -9.053 -1.305
837 HB THR 102 HB THR 102 -3.409 -8.590 -2.290
838 HG1 THR 102 HG1 THR 102 -5.792 -8.562 -3.150
839 HG21 THR 102 HG21 THR 102 -2.951 -11.094 -2.077
840 HG22 THR 102 HG22 THR 102 -2.666 -10.390 -3.667
841 HG23 THR 102 HG23 THR 102 -4.132 -11.321 -3.367
842 H GLU 103 H GLU 103 -3.669 -11.477 -0.083
843 HA GLU 103 HA GLU 103 -3.891 -13.808 0.112
844 HB2 GLU 103 HB2 GLU 103 -5.845 -13.026 1.471
845 HB3 GLU 103 HB3 GLU 103 -6.849 -13.146 0.025
846 HG2 GLU 103 HG2 GLU 103 -6.232 -15.555 -0.159
847 HG3 GLU 103 HG3 GLU 103 -5.337 -15.415 1.354
848 HHA HEC 104 HA HEC 104 -3.916 4.463 -2.096
849 HHB HEC 104 HB HEC 104 0.679 1.469 0.994
850 HHC HEC 104 HC HEC 104 -0.630 4.868 6.210
851 HHD HEC 104 HD HEC 104 -5.233 7.838 3.074
852 HMA1 HEC 104 1HMA HEC 104 -0.235 0.127 -0.610
853 HMA2 HEC 104 2HMA HEC 104 0.698 1.001 -1.824
854 HMA3 HEC 104 3HMA HEC 104 -0.884 0.339 -2.236
855 HAA1 HEC 104 1HAA HEC 104 -1.447 2.030 -3.653
856 HAA2 HEC 104 2HAA HEC 104 -2.986 2.864 -3.502
857 HBA1 HEC 104 1HBA HEC 104 -0.322 3.937 -4.139
858 HBA2 HEC 104 2HBA HEC 104 -1.218 4.884 -2.952
859 HMB1 HEC 104 1HMB HEC 104 2.285 1.169 2.339
860 HMB2 HEC 104 2HMB HEC 104 3.085 2.415 3.279
861 HMB3 HEC 104 3HMB HEC 104 2.504 0.946 4.057
862 HAB HEC 104 HAB HEC 104 0.725 3.311 6.803
863 HBB1 HEC 104 1HBB HEC 104 3.037 2.620 5.514
864 HBB2 HEC 104 2HBB HEC 104 2.563 1.088 6.249
865 HBB3 HEC 104 3HBB HEC 104 2.787 2.518 7.249
866 HMC1 HEC 104 1HMC HEC 104 -0.912 7.292 6.836
867 HMC2 HEC 104 2HMC HEC 104 -2.068 6.412 7.835
868 HMC3 HEC 104 3HMC HEC 104 -2.427 8.059 7.318
869 HAC HEC 104 HAC HEC 104 -5.717 7.715 5.247
870 HBC1 HEC 104 1HBC HEC 104 -5.455 9.891 5.823
871 HBC2 HEC 104 2HBC HEC 104 -4.322 9.492 7.115
872 HBC3 HEC 104 3HBC HEC 104 -3.746 9.658 5.456
873 HMD1 HEC 104 1HMD HEC 104 -6.645 8.463 -0.435
874 HMD2 HEC 104 2HMD HEC 104 -5.449 9.137 0.673
875 HMD3 HEC 104 3HMD HEC 104 -6.888 8.337 1.307
876 HAD1 HEC 104 1HAD HEC 104 -7.103 6.404 -1.446
877 HAD2 HEC 104 2HAD HEC 104 -6.155 5.027 -1.985
878 HBD1 HEC 104 1HBD HEC 104 -4.948 7.636 -2.618
879 HBD2 HEC 104 2HBD HEC 104 -5.155 6.212 -3.636
Start of MODEL 16
1 H1 THR -5 H1 THR -5 16.579 1.035 -2.248
2 H2 THR -5 H2 THR -5 15.183 1.315 -1.319
3 H3 THR -5 H3 THR -5 16.147 2.620 -1.825
4 HA THR -5 HA THR -5 14.122 2.435 -3.155
5 HB THR -5 HB THR -5 15.515 2.003 -5.402
6 HG1 THR -5 HG1 THR -5 17.705 2.866 -4.192
7 HG21 THR -5 HG21 THR -5 16.306 4.338 -5.228
8 HG22 THR -5 HG22 THR -5 15.986 4.310 -3.494
9 HG23 THR -5 HG23 THR -5 14.652 4.175 -4.638
10 H GLU -4 H GLU -4 16.346 -0.252 -4.000
11 HA GLU -4 HA GLU -4 14.410 -1.796 -5.381
12 HB2 GLU -4 HB2 GLU -4 16.829 -2.736 -3.809
13 HB3 GLU -4 HB3 GLU -4 15.938 -3.712 -4.976
14 HG2 GLU -4 HG2 GLU -4 16.441 -2.027 -6.734
15 HG3 GLU -4 HG3 GLU -4 17.398 -1.120 -5.563
16 H PHE -3 H PHE -3 12.976 -3.411 -4.694
17 HA PHE -3 HA PHE -3 12.397 -3.394 -1.775
18 HB2 PHE -3 HB2 PHE -3 10.424 -2.854 -2.926
19 HB3 PHE -3 HB3 PHE -3 10.767 -3.982 -4.236
20 HD1 PHE -3 HD2 PHE -3 10.993 -4.684 -0.571
21 HD2 PHE -3 HD1 PHE -3 8.814 -5.328 -4.215
22 HE1 PHE -3 HE2 PHE -3 9.633 -6.418 0.551
23 HE2 PHE -3 HE1 PHE -3 7.449 -7.062 -3.087
24 HZ PHE -3 HZ PHE -3 7.856 -7.603 -0.704
25 H LYS -2 H LYS -2 12.821 -5.187 -0.580
26 HA LYS -2 HA LYS -2 13.419 -7.726 -2.037
27 HB2 LYS -2 HB2 LYS -2 15.380 -6.635 -0.885
28 HB3 LYS -2 HB3 LYS -2 14.529 -6.858 0.645
29 HG2 LYS -2 HG2 LYS -2 14.428 -9.303 0.210
30 HG3 LYS -2 HG3 LYS -2 15.347 -9.058 -1.276
31 HD2 LYS -2 HD2 LYS -2 17.177 -8.025 0.094
32 HD3 LYS -2 HD3 LYS -2 16.277 -8.463 1.546
33 HE2 LYS -2 HE2 LYS -2 16.279 -10.846 0.235
34 HE3 LYS -2 HE3 LYS -2 17.819 -10.181 -0.310
35 HZ1 LYS -2 HZ1 LYS -2 17.097 -11.196 2.253
36 HZ2 LYS -2 HZ2 LYS -2 17.718 -9.620 2.367
37 HZ3 LYS -2 HZ3 LYS -2 18.634 -10.845 1.629
38 H ALA -1 H ALA -1 12.262 -9.513 -1.410
39 HA ALA -1 HA ALA -1 9.987 -9.161 0.333
40 HB1 ALA -1 HB1 ALA -1 9.999 -10.751 -1.573
41 HB2 ALA -1 HB2 ALA -1 9.585 -11.548 -0.055
42 HB3 ALA -1 HB3 ALA -1 11.204 -11.725 -0.732
43 H GLY 1 H GLY 1 10.580 -8.698 2.447
44 HA2 GLY 1 HA2 GLY 1 12.607 -10.380 3.788
45 HA3 GLY 1 HA3 GLY 1 11.808 -8.970 4.486
46 H SER 2 H SER 2 10.418 -9.485 6.097
47 HA SER 2 HA SER 2 8.975 -12.107 5.918
48 HB2 SER 2 HB2 SER 2 10.670 -12.008 7.755
49 HB3 SER 2 HB3 SER 2 9.810 -10.628 8.431
50 HG SER 2 HG SER 2 7.939 -12.032 8.496
51 H ALA 3 H ALA 3 6.790 -11.914 5.852
52 HA ALA 3 HA ALA 3 5.528 -9.318 5.912
53 HB1 ALA 3 HB1 ALA 3 4.348 -12.111 5.962
54 HB2 ALA 3 HB2 ALA 3 4.602 -11.105 4.537
55 HB3 ALA 3 HB3 ALA 3 3.408 -10.634 5.747
56 H LYS 4 H LYS 4 5.946 -11.899 8.269
57 HA LYS 4 HA LYS 4 4.001 -11.109 10.175
58 HB2 LYS 4 HB2 LYS 4 6.765 -12.219 10.742
59 HB3 LYS 4 HB3 LYS 4 5.348 -12.334 11.782
60 HG2 LYS 4 HG2 LYS 4 4.186 -13.561 9.901
61 HG3 LYS 4 HG3 LYS 4 5.747 -13.613 9.079
62 HD2 LYS 4 HD2 LYS 4 5.214 -14.724 11.850
63 HD3 LYS 4 HD3 LYS 4 5.310 -15.690 10.379
64 HE2 LYS 4 HE2 LYS 4 7.633 -14.416 10.116
65 HE3 LYS 4 HE3 LYS 4 7.487 -14.284 11.869
66 HZ1 LYS 4 HZ1 LYS 4 6.922 -16.888 10.693
67 HZ2 LYS 4 HZ2 LYS 4 7.701 -16.499 12.152
68 HZ3 LYS 4 HZ3 LYS 4 8.542 -16.388 10.680
69 H LYS 5 H LYS 5 7.420 -10.182 9.892
70 HA LYS 5 HA LYS 5 7.446 -8.372 12.095
71 HB2 LYS 5 HB2 LYS 5 9.084 -8.371 9.542
72 HB3 LYS 5 HB3 LYS 5 9.445 -7.397 10.964
73 HG2 LYS 5 HG2 LYS 5 9.576 -9.489 12.321
74 HG3 LYS 5 HG3 LYS 5 9.342 -10.421 10.841
75 HD2 LYS 5 HD2 LYS 5 11.374 -9.338 9.880
76 HD3 LYS 5 HD3 LYS 5 11.632 -8.519 11.421
77 HE2 LYS 5 HE2 LYS 5 12.385 -10.411 12.449
78 HE3 LYS 5 HE3 LYS 5 11.233 -11.447 11.605
79 HZ1 LYS 5 HZ1 LYS 5 13.904 -10.582 10.792
80 HZ2 LYS 5 HZ2 LYS 5 12.739 -10.779 9.572
81 HZ3 LYS 5 HZ3 LYS 5 13.142 -12.082 10.583
82 H GLY 6 H GLY 6 6.822 -7.796 8.621
83 HA2 GLY 6 HA2 GLY 6 6.402 -4.969 8.926
84 HA3 GLY 6 HA3 GLY 6 5.836 -5.930 7.565
85 H ALA 7 H ALA 7 4.314 -7.789 9.281
86 HA ALA 7 HA ALA 7 1.787 -6.524 9.255
87 HB1 ALA 7 HB1 ALA 7 0.987 -8.392 10.560
88 HB2 ALA 7 HB2 ALA 7 2.607 -8.727 11.169
89 HB3 ALA 7 HB3 ALA 7 2.226 -9.013 9.471
90 H THR 8 H THR 8 4.173 -6.839 11.859
91 HA THR 8 HA THR 8 2.603 -5.545 13.889
92 HB THR 8 HB THR 8 4.721 -5.324 15.066
93 HG1 THR 8 HG1 THR 8 5.762 -4.644 12.983
94 HG21 THR 8 HG21 THR 8 4.797 -7.850 13.410
95 HG22 THR 8 HG22 THR 8 3.734 -7.610 14.796
96 HG23 THR 8 HG23 THR 8 5.483 -7.624 15.017
97 H LEU 9 H LEU 9 5.025 -4.431 11.578
98 HA LEU 9 HA LEU 9 5.041 -1.671 12.297
99 HB2 LEU 9 HB2 LEU 9 5.509 -2.994 9.614
100 HB3 LEU 9 HB3 LEU 9 5.960 -1.350 10.016
101 HG LEU 9 HG LEU 9 7.024 -3.881 11.293
102 HD11 LEU 9 HD11 LEU 9 9.166 -3.077 10.368
103 HD12 LEU 9 HD12 LEU 9 8.337 -1.687 9.669
104 HD13 LEU 9 HD13 LEU 9 7.972 -3.312 9.091
105 HD21 LEU 9 HD21 LEU 9 7.040 -2.411 13.107
106 HD22 LEU 9 HD22 LEU 9 7.206 -0.987 12.080
107 HD23 LEU 9 HD23 LEU 9 8.593 -2.039 12.361
108 H PHE 10 H PHE 10 3.091 -3.504 9.984
109 HA PHE 10 HA PHE 10 1.663 -1.265 8.902
110 HB2 PHE 10 HB2 PHE 10 1.811 -3.548 7.867
111 HB3 PHE 10 HB3 PHE 10 0.752 -4.151 9.140
112 HD1 PHE 10 HD1 PHE 10 -1.590 -3.280 9.332
113 HD2 PHE 10 HD2 PHE 10 0.956 -2.307 6.014
114 HE1 PHE 10 HE1 PHE 10 -3.571 -2.566 8.023
115 HE2 PHE 10 HE2 PHE 10 -1.022 -1.588 4.705
116 HZ PHE 10 HZ PHE 10 -3.287 -1.718 5.709
117 H LYS 11 H LYS 11 0.614 -3.734 11.281
118 HA LYS 11 HA LYS 11 -1.826 -2.456 11.975
119 HB2 LYS 11 HB2 LYS 11 -0.040 -4.284 13.604
120 HB3 LYS 11 HB3 LYS 11 -1.688 -3.846 14.044
121 HG2 LYS 11 HG2 LYS 11 -2.479 -4.778 11.868
122 HG3 LYS 11 HG3 LYS 11 -0.830 -5.309 11.534
123 HD2 LYS 11 HD2 LYS 11 -0.875 -6.648 13.639
124 HD3 LYS 11 HD3 LYS 11 -2.562 -6.184 13.864
125 HE2 LYS 11 HE2 LYS 11 -3.305 -7.525 12.148
126 HE3 LYS 11 HE3 LYS 11 -1.816 -7.346 11.222
127 HZ1 LYS 11 HZ1 LYS 11 -1.156 -8.632 13.593
128 HZ2 LYS 11 HZ2 LYS 11 -1.161 -9.285 12.025
129 HZ3 LYS 11 HZ3 LYS 11 -2.547 -9.403 13.001
130 H THR 12 H THR 12 1.463 -2.037 13.169
131 HA THR 12 HA THR 12 0.611 -0.242 15.318
132 HB THR 12 HB THR 12 3.009 0.055 15.722
133 HG1 THR 12 HG1 THR 12 4.140 0.019 13.956
134 HG21 THR 12 HG21 THR 12 1.810 -2.637 15.349
135 HG22 THR 12 HG22 THR 12 2.476 -1.892 16.802
136 HG23 THR 12 HG23 THR 12 3.556 -2.583 15.592
137 H ARG 13 H ARG 13 1.174 0.083 11.951
138 HA ARG 13 HA ARG 13 0.974 3.014 12.245
139 HB2 ARG 13 HB2 ARG 13 3.275 1.647 10.831
140 HB3 ARG 13 HB3 ARG 13 2.900 3.360 10.671
141 HG2 ARG 13 HG2 ARG 13 3.097 3.558 13.178
142 HG3 ARG 13 HG3 ARG 13 3.670 1.891 13.206
143 HD2 ARG 13 HD2 ARG 13 5.477 2.572 11.581
144 HD3 ARG 13 HD3 ARG 13 4.974 4.245 11.822
145 HE ARG 13 HE ARG 13 5.536 2.869 14.328
146 HH11 ARG 13 HH21 ARG 13 6.811 4.578 11.618
147 HH12 ARG 13 HH22 ARG 13 8.216 5.136 12.463
148 HH21 ARG 13 HH11 ARG 13 7.363 3.588 15.446
149 HH22 ARG 13 HH12 ARG 13 8.529 4.575 14.630
150 H CYS 14 H CYS 14 -1.086 1.538 11.232
151 HA CYS 14 HA CYS 14 -1.270 2.588 8.535
152 HB2 CYS 14 HB2 CYS 14 0.061 0.290 8.507
153 HB3 CYS 14 HB3 CYS 14 -1.560 -0.386 8.590
154 H LEU 15 H LEU 15 -2.601 1.010 11.281
155 HA LEU 15 HA LEU 15 -5.217 0.413 10.250
156 HB2 LEU 15 HB2 LEU 15 -4.515 1.187 13.094
157 HB3 LEU 15 HB3 LEU 15 -5.884 0.211 12.560
158 HG LEU 15 HG LEU 15 -2.954 -0.516 12.389
159 HD11 LEU 15 HD11 LEU 15 -3.628 -2.379 13.851
160 HD12 LEU 15 HD12 LEU 15 -5.291 -1.793 13.840
161 HD13 LEU 15 HD13 LEU 15 -4.023 -0.831 14.598
162 HD21 LEU 15 HD21 LEU 15 -5.404 -1.696 11.108
163 HD22 LEU 15 HD22 LEU 15 -4.054 -2.741 11.553
164 HD23 LEU 15 HD23 LEU 15 -3.807 -1.420 10.410
165 H GLN 16 H GLN 16 -3.737 3.353 11.478
166 HA GLN 16 HA GLN 16 -6.117 4.847 11.957
167 HB2 GLN 16 HB2 GLN 16 -4.688 6.823 11.833
168 HB3 GLN 16 HB3 GLN 16 -3.847 5.538 12.702
169 HG2 GLN 16 HG2 GLN 16 -2.663 4.924 10.604
170 HG3 GLN 16 HG3 GLN 16 -3.462 6.263 9.780
171 HE21 GLN 16 HE21 GLN 16 -2.637 8.388 10.122
172 HE22 GLN 16 HE22 GLN 16 -1.289 8.715 11.102
173 H CYS 17 H CYS 17 -5.559 3.394 9.149
174 HA CYS 17 HA CYS 17 -7.140 5.369 7.666
175 HB2 CYS 17 HB2 CYS 17 -4.278 4.755 6.915
176 HB3 CYS 17 HB3 CYS 17 -5.447 5.361 5.743
177 H HIS 18 H HIS 18 -4.965 2.614 6.896
178 HA HIS 18 HA HIS 18 -7.154 1.434 5.285
179 HB2 HIS 18 HB2 HIS 18 -4.293 0.541 5.758
180 HB3 HIS 18 HB3 HIS 18 -5.437 -0.295 4.715
181 HD1 HIS 18 HD1 HIS 18 -5.932 0.756 2.404
182 HD2 HIS 18 HD2 HIS 18 -3.397 3.059 4.768
183 HE1 HIS 18 HE1 HIS 18 -4.920 2.507 0.875
184 H THR 19 H THR 19 -8.497 -0.053 6.199
185 HA THR 19 HA THR 19 -7.640 -1.286 8.772
186 HB THR 19 HB THR 19 -10.392 -1.255 7.488
187 HG1 THR 19 HG1 THR 19 -10.526 0.677 8.248
188 HG21 THR 19 HG21 THR 19 -10.176 -3.077 9.046
189 HG22 THR 19 HG22 THR 19 -11.074 -1.797 9.863
190 HG23 THR 19 HG23 THR 19 -9.366 -2.045 10.223
191 H VAL 20 H VAL 20 -6.988 -3.401 8.694
192 HA VAL 20 HA VAL 20 -7.723 -4.980 6.273
193 HB VAL 20 HB VAL 20 -5.346 -5.338 8.102
194 HG11 VAL 20 HG11 VAL 20 -6.578 -7.088 6.282
195 HG12 VAL 20 HG12 VAL 20 -4.970 -7.260 6.982
196 HG13 VAL 20 HG13 VAL 20 -5.175 -6.447 5.430
197 HG21 VAL 20 HG21 VAL 20 -5.473 -4.207 5.292
198 HG22 VAL 20 HG22 VAL 20 -4.044 -4.322 6.321
199 HG23 VAL 20 HG23 VAL 20 -5.352 -3.216 6.746
200 H GLU 21 H GLU 21 -9.573 -4.872 8.325
201 HA GLU 21 HA GLU 21 -9.204 -7.175 10.102
202 HB2 GLU 21 HB2 GLU 21 -10.583 -5.041 10.598
203 HB3 GLU 21 HB3 GLU 21 -11.809 -5.738 9.539
204 HG2 GLU 21 HG2 GLU 21 -11.833 -7.785 10.967
205 HG3 GLU 21 HG3 GLU 21 -10.677 -7.011 12.050
206 H LYS 22 H LYS 22 -9.257 -7.273 7.031
207 HA LYS 22 HA LYS 22 -9.951 -8.813 5.418
208 HB2 LYS 22 HB2 LYS 22 -11.244 -10.342 7.680
209 HB3 LYS 22 HB3 LYS 22 -10.707 -10.963 6.122
210 HG2 LYS 22 HG2 LYS 22 -8.909 -9.803 8.268
211 HG3 LYS 22 HG3 LYS 22 -9.077 -11.507 7.868
212 HD2 LYS 22 HD2 LYS 22 -8.386 -10.874 5.486
213 HD3 LYS 22 HD3 LYS 22 -7.902 -9.317 6.159
214 HE2 LYS 22 HE2 LYS 22 -5.918 -10.329 6.562
215 HE3 LYS 22 HE3 LYS 22 -6.754 -11.058 7.933
216 HZ1 LYS 22 HZ1 LYS 22 -6.658 -12.248 5.216
217 HZ2 LYS 22 HZ2 LYS 22 -7.282 -12.965 6.625
218 HZ3 LYS 22 HZ3 LYS 22 -5.613 -12.681 6.480
219 H GLY 23 H GLY 23 -11.400 -6.716 5.215
220 HA2 GLY 23 HA2 GLY 23 -13.536 -6.450 4.028
221 HA3 GLY 23 HA3 GLY 23 -14.222 -7.683 5.086
222 H GLY 24 H GLY 24 -12.147 -5.463 6.665
223 HA2 GLY 24 HA2 GLY 24 -14.289 -4.475 8.331
224 HA3 GLY 24 HA3 GLY 24 -12.626 -3.890 8.347
225 HA PRO 25 HA PRO 25 -15.841 -0.924 6.269
226 HB2 PRO 25 HB2 PRO 25 -15.397 1.056 8.217
227 HB3 PRO 25 HB3 PRO 25 -16.824 0.013 8.095
228 HG2 PRO 25 HG2 PRO 25 -14.459 -0.215 9.860
229 HG3 PRO 25 HG3 PRO 25 -16.141 -0.687 10.149
230 HD2 PRO 25 HD2 PRO 25 -14.201 -2.513 9.625
231 HD3 PRO 25 HD3 PRO 25 -15.887 -2.747 9.106
232 H HIS 26 H HIS 26 -15.205 1.182 5.304
233 HA HIS 26 HA HIS 26 -12.250 1.340 5.008
234 HB2 HIS 26 HB2 HIS 26 -14.456 2.655 3.395
235 HB3 HIS 26 HB3 HIS 26 -12.735 2.755 3.048
236 HD1 HIS 26 HD1 HIS 26 -11.532 0.453 2.396
237 HD2 HIS 26 HD2 HIS 26 -15.699 0.340 2.448
238 HE1 HIS 26 HE1 HIS 26 -12.211 -1.634 1.124
239 HE2 HIS 26 HE2 HIS 26 -14.745 -1.713 1.155
240 H LYS 27 H LYS 27 -11.107 3.131 5.618
241 HA LYS 27 HA LYS 27 -12.637 5.333 6.941
242 HB2 LYS 27 HB2 LYS 27 -9.763 4.427 7.333
243 HB3 LYS 27 HB3 LYS 27 -10.517 5.789 8.163
244 HG2 LYS 27 HG2 LYS 27 -12.235 4.227 9.083
245 HG3 LYS 27 HG3 LYS 27 -11.361 2.884 8.344
246 HD2 LYS 27 HD2 LYS 27 -9.331 3.543 9.640
247 HD3 LYS 27 HD3 LYS 27 -10.286 4.788 10.444
248 HE2 LYS 27 HE2 LYS 27 -11.290 1.962 10.441
249 HE3 LYS 27 HE3 LYS 27 -10.007 2.415 11.564
250 HZ1 LYS 27 HZ1 LYS 27 -11.587 3.232 12.862
251 HZ2 LYS 27 HZ2 LYS 27 -12.780 3.018 11.672
252 HZ3 LYS 27 HZ3 LYS 27 -11.856 4.443 11.705
253 H VAL 28 H VAL 28 -9.856 6.761 6.788
254 HA VAL 28 HA VAL 28 -10.432 8.349 4.490
255 HB VAL 28 HB VAL 28 -7.827 7.914 5.987
256 HG11 VAL 28 HG11 VAL 28 -8.565 9.733 3.701
257 HG12 VAL 28 HG12 VAL 28 -7.119 8.745 3.902
258 HG13 VAL 28 HG13 VAL 28 -7.327 10.209 4.862
259 HG21 VAL 28 HG21 VAL 28 -9.847 10.179 6.027
260 HG22 VAL 28 HG22 VAL 28 -8.374 10.090 6.991
261 HG23 VAL 28 HG23 VAL 28 -9.682 8.943 7.275
262 H GLY 29 H GLY 29 -8.391 5.503 4.958
263 HA2 GLY 29 HA2 GLY 29 -7.892 5.456 2.012
264 HA3 GLY 29 HA3 GLY 29 -6.845 4.685 3.206
265 HA PRO 30 HA PRO 30 -10.449 1.903 1.528
266 HB2 PRO 30 HB2 PRO 30 -8.822 0.316 -0.089
267 HB3 PRO 30 HB3 PRO 30 -9.891 1.610 -0.656
268 HG2 PRO 30 HG2 PRO 30 -6.964 1.621 -0.243
269 HG3 PRO 30 HG3 PRO 30 -7.950 2.502 -1.420
270 HD2 PRO 30 HD2 PRO 30 -6.861 3.687 0.795
271 HD3 PRO 30 HD3 PRO 30 -8.362 4.250 0.031
272 H ASN 31 H ASN 31 -10.679 -0.373 2.077
273 HA ASN 31 HA ASN 31 -9.435 -1.212 4.452
274 HB2 ASN 31 HB2 ASN 31 -11.518 -2.185 3.301
275 HB3 ASN 31 HB3 ASN 31 -10.400 -3.143 2.332
276 HD21 ASN 31 HD21 ASN 31 -9.445 -4.983 3.322
277 HD22 ASN 31 HD22 ASN 31 -9.726 -5.431 4.935
278 H LEU 32 H LEU 32 -8.353 -1.454 1.149
279 HA LEU 32 HA LEU 32 -6.273 -2.056 0.275
280 HB2 LEU 32 HB2 LEU 32 -5.563 -0.950 2.555
281 HB3 LEU 32 HB3 LEU 32 -5.258 -2.605 3.060
282 HG LEU 32 HG LEU 32 -3.679 -2.913 1.207
283 HD11 LEU 32 HD11 LEU 32 -4.216 -1.621 -0.607
284 HD12 LEU 32 HD12 LEU 32 -3.097 -0.489 0.150
285 HD13 LEU 32 HD13 LEU 32 -4.834 -0.301 0.385
286 HD21 LEU 32 HD21 LEU 32 -2.694 -2.044 3.219
287 HD22 LEU 32 HD22 LEU 32 -3.300 -0.422 2.884
288 HD23 LEU 32 HD23 LEU 32 -2.018 -1.105 1.885
289 H HIS 33 H HIS 33 -7.859 -3.930 -0.189
290 HA HIS 33 HA HIS 33 -6.465 -6.432 0.547
291 HB2 HIS 33 HB2 HIS 33 -8.873 -5.662 1.802
292 HB3 HIS 33 HB3 HIS 33 -9.326 -6.879 0.609
293 HD1 HIS 33 HD1 HIS 33 -6.802 -6.395 3.423
294 HD2 HIS 33 HD2 HIS 33 -8.745 -9.477 1.391
295 HE1 HIS 33 HE1 HIS 33 -6.171 -8.544 4.604
296 HE2 HIS 33 HE2 HIS 33 -7.347 -10.426 3.379
297 H GLY 34 H GLY 34 -7.938 -4.445 -1.708
298 HA2 GLY 34 HA2 GLY 34 -8.054 -6.699 -3.658
299 HA3 GLY 34 HA3 GLY 34 -9.398 -5.562 -3.571
300 H ILE 35 H ILE 35 -6.614 -3.857 -2.879
301 HA ILE 35 HA ILE 35 -6.704 -2.239 -5.179
302 HB ILE 35 HB ILE 35 -4.389 -2.855 -3.314
303 HG12 ILE 35 HG12 ILE 35 -6.605 -0.840 -3.413
304 HG13 ILE 35 HG13 ILE 35 -5.961 -1.726 -2.033
305 HG21 ILE 35 HG21 ILE 35 -3.164 -1.030 -4.208
306 HG22 ILE 35 HG22 ILE 35 -4.546 -0.453 -5.140
307 HG23 ILE 35 HG23 ILE 35 -3.702 -1.918 -5.626
308 HD11 ILE 35 HD11 ILE 35 -3.784 -0.370 -2.443
309 HD12 ILE 35 HD12 ILE 35 -5.153 0.477 -1.718
310 HD13 ILE 35 HD13 ILE 35 -4.797 0.682 -3.430
311 H PHE 36 H PHE 36 -4.939 -5.256 -4.630
312 HA PHE 36 HA PHE 36 -3.588 -5.049 -7.231
313 HB2 PHE 36 HB2 PHE 36 -3.768 -7.394 -5.315
314 HB3 PHE 36 HB3 PHE 36 -2.643 -7.231 -6.662
315 HD1 PHE 36 HD1 PHE 36 -0.894 -5.435 -6.618
316 HD2 PHE 36 HD2 PHE 36 -3.378 -6.292 -3.223
317 HE1 PHE 36 HE1 PHE 36 0.684 -4.205 -5.152
318 HE2 PHE 36 HE2 PHE 36 -1.803 -5.063 -1.758
319 HZ PHE 36 HZ PHE 36 0.227 -4.020 -2.722
320 H GLY 37 H GLY 37 -4.434 -5.802 -9.121
321 HA2 GLY 37 HA2 GLY 37 -5.579 -7.913 -10.074
322 HA3 GLY 37 HA3 GLY 37 -6.882 -7.509 -8.959
323 H ARG 38 H ARG 38 -7.354 -7.694 -11.687
324 HA ARG 38 HA ARG 38 -7.974 -6.459 -13.615
325 HB2 ARG 38 HB2 ARG 38 -9.344 -5.011 -11.334
326 HB3 ARG 38 HB3 ARG 38 -9.805 -4.874 -13.029
327 HG2 ARG 38 HG2 ARG 38 -9.660 -7.550 -11.637
328 HG3 ARG 38 HG3 ARG 38 -11.119 -6.562 -11.599
329 HD2 ARG 38 HD2 ARG 38 -10.977 -6.484 -14.147
330 HD3 ARG 38 HD3 ARG 38 -9.746 -7.738 -14.028
331 HE ARG 38 HE ARG 38 -12.050 -8.542 -12.535
332 HH11 ARG 38 HH21 ARG 38 -10.882 -8.008 -15.735
333 HH12 ARG 38 HH22 ARG 38 -11.922 -9.191 -16.455
334 HH21 ARG 38 HH11 ARG 38 -13.415 -10.091 -13.458
335 HH22 ARG 38 HH12 ARG 38 -13.357 -10.370 -15.166
336 H HIS 39 H HIS 39 -8.758 -3.483 -12.639
337 HA HIS 39 HA HIS 39 -6.153 -2.369 -13.574
338 HB2 HIS 39 HB2 HIS 39 -8.895 -1.073 -13.537
339 HB3 HIS 39 HB3 HIS 39 -7.436 -0.411 -14.274
340 HD1 HIS 39 HD1 HIS 39 -9.831 -0.896 -16.093
341 HD2 HIS 39 HD2 HIS 39 -6.909 -3.787 -15.392
342 HE1 HIS 39 HE1 HIS 39 -9.927 -2.503 -18.051
343 HE2 HIS 39 HE2 HIS 39 -8.152 -4.267 -17.634
344 H SER 40 H SER 40 -5.990 0.056 -12.711
345 HA SER 40 HA SER 40 -5.383 -0.092 -9.959
346 HB2 SER 40 HB2 SER 40 -6.037 2.611 -10.774
347 HB3 SER 40 HB3 SER 40 -4.470 1.923 -10.359
348 HG SER 40 HG SER 40 -5.056 0.882 -12.653
349 H GLY 41 H GLY 41 -6.449 0.908 -8.127
350 HA2 GLY 41 HA2 GLY 41 -8.323 1.315 -6.786
351 HA3 GLY 41 HA3 GLY 41 -8.994 2.146 -8.189
352 H GLN 42 H GLN 42 -9.260 -0.616 -6.204
353 HA GLN 42 HA GLN 42 -11.338 -1.709 -8.051
354 HB2 GLN 42 HB2 GLN 42 -9.256 -3.326 -6.557
355 HB3 GLN 42 HB3 GLN 42 -10.616 -4.010 -7.446
356 HG2 GLN 42 HG2 GLN 42 -9.345 -3.962 -9.303
357 HG3 GLN 42 HG3 GLN 42 -9.383 -2.201 -9.220
358 HE21 GLN 42 HE21 GLN 42 -7.457 -1.118 -8.613
359 HE22 GLN 42 HE22 GLN 42 -6.027 -1.923 -8.178
360 H ALA 43 H ALA 43 -10.482 -0.690 -4.933
361 HA ALA 43 HA ALA 43 -12.016 -2.363 -3.247
362 HB1 ALA 43 HB1 ALA 43 -10.643 -0.733 -2.190
363 HB2 ALA 43 HB2 ALA 43 -12.294 -0.215 -1.861
364 HB3 ALA 43 HB3 ALA 43 -11.354 0.588 -3.121
365 H GLU 44 H GLU 44 -14.216 -2.505 -2.827
366 HA GLU 44 HA GLU 44 -16.006 -1.170 -4.737
367 HB2 GLU 44 HB2 GLU 44 -16.560 -3.162 -2.519
368 HB3 GLU 44 HB3 GLU 44 -17.758 -2.585 -3.677
369 HG2 GLU 44 HG2 GLU 44 -16.350 -3.455 -5.533
370 HG3 GLU 44 HG3 GLU 44 -15.210 -4.088 -4.345
371 H GLY 45 H GLY 45 -16.005 -1.512 -1.163
372 HA2 GLY 45 HA2 GLY 45 -17.927 0.547 -0.717
373 HA3 GLY 45 HA3 GLY 45 -16.779 -0.032 0.488
374 H TYR 46 H TYR 46 -14.379 0.643 -0.851
375 HA TYR 46 HA TYR 46 -14.461 3.596 -0.537
376 HB2 TYR 46 HB2 TYR 46 -12.774 2.520 0.806
377 HB3 TYR 46 HB3 TYR 46 -12.172 1.615 -0.575
378 HD1 TYR 46 HD1 TYR 46 -11.029 2.788 -2.447
379 HD2 TYR 46 HD2 TYR 46 -12.136 4.809 1.176
380 HE1 TYR 46 HE1 TYR 46 -9.490 4.642 -3.016
381 HE2 TYR 46 HE2 TYR 46 -10.602 6.669 0.608
382 HH TYR 46 HH TYR 46 -8.499 6.948 -0.812
383 H SER 47 H SER 47 -13.990 4.969 -2.222
384 HA SER 47 HA SER 47 -13.485 3.688 -4.875
385 HB2 SER 47 HB2 SER 47 -14.572 5.629 -5.866
386 HB3 SER 47 HB3 SER 47 -15.628 4.959 -4.626
387 HG SER 47 HG SER 47 -15.577 6.954 -3.928
388 H TYR 48 H TYR 48 -11.999 4.802 -6.310
389 HA TYR 48 HA TYR 48 -9.929 6.345 -4.806
390 HB2 TYR 48 HB2 TYR 48 -9.632 4.955 -7.484
391 HB3 TYR 48 HB3 TYR 48 -8.342 5.570 -6.448
392 HD1 TYR 48 HD1 TYR 48 -11.137 3.117 -6.558
393 HD2 TYR 48 HD2 TYR 48 -7.404 4.202 -4.751
394 HE1 TYR 48 HE1 TYR 48 -11.087 0.957 -5.362
395 HE2 TYR 48 HE2 TYR 48 -7.343 2.032 -3.562
396 HH TYR 48 HH TYR 48 -8.290 0.010 -3.386
397 H THR 49 H THR 49 -8.832 8.081 -6.119
398 HA THR 49 HA THR 49 -10.762 9.904 -7.190
399 HB THR 49 HB THR 49 -9.022 11.391 -7.277
400 HG1 THR 49 HG1 THR 49 -7.396 11.057 -8.581
401 HG21 THR 49 HG21 THR 49 -7.252 9.288 -6.085
402 HG22 THR 49 HG22 THR 49 -8.710 9.774 -5.214
403 HG23 THR 49 HG23 THR 49 -7.472 10.969 -5.596
404 H ASP 50 H ASP 50 -10.780 10.719 -9.458
405 HA ASP 50 HA ASP 50 -11.105 8.606 -11.333
406 HB2 ASP 50 HB2 ASP 50 -11.277 10.382 -13.035
407 HB3 ASP 50 HB3 ASP 50 -12.204 10.799 -11.596
408 H ALA 51 H ALA 51 -8.300 10.512 -10.451
409 HA ALA 51 HA ALA 51 -6.675 10.055 -12.718
410 HB1 ALA 51 HB1 ALA 51 -6.298 10.910 -9.977
411 HB2 ALA 51 HB2 ALA 51 -5.350 11.317 -11.406
412 HB3 ALA 51 HB3 ALA 51 -4.977 9.860 -10.487
413 H ASN 52 H ASN 52 -6.826 8.090 -9.717
414 HA ASN 52 HA ASN 52 -5.107 6.020 -10.611
415 HB2 ASN 52 HB2 ASN 52 -6.005 6.304 -8.280
416 HB3 ASN 52 HB3 ASN 52 -7.544 5.655 -8.849
417 HD21 ASN 52 HD21 ASN 52 -7.521 3.609 -7.798
418 HD22 ASN 52 HD22 ASN 52 -6.322 2.437 -8.055
419 H ILE 53 H ILE 53 -8.603 6.433 -11.094
420 HA ILE 53 HA ILE 53 -8.955 3.897 -12.436
421 HB ILE 53 HB ILE 53 -10.665 6.397 -12.540
422 HG12 ILE 53 HG12 ILE 53 -10.904 3.918 -10.803
423 HG13 ILE 53 HG13 ILE 53 -10.259 5.464 -10.248
424 HG21 ILE 53 HG21 ILE 53 -11.831 5.237 -14.084
425 HG22 ILE 53 HG22 ILE 53 -12.224 4.082 -12.810
426 HG23 ILE 53 HG23 ILE 53 -10.828 3.806 -13.850
427 HD11 ILE 53 HD11 ILE 53 -12.326 6.322 -9.982
428 HD12 ILE 53 HD12 ILE 53 -12.950 4.693 -10.244
429 HD13 ILE 53 HD13 ILE 53 -12.809 5.812 -11.600
430 H LYS 54 H LYS 54 -8.592 7.246 -13.676
431 HA LYS 54 HA LYS 54 -8.933 6.615 -16.414
432 HB2 LYS 54 HB2 LYS 54 -7.347 8.794 -15.053
433 HB3 LYS 54 HB3 LYS 54 -7.549 8.706 -16.800
434 HG2 LYS 54 HG2 LYS 54 -10.016 8.710 -16.493
435 HG3 LYS 54 HG3 LYS 54 -9.780 8.894 -14.758
436 HD2 LYS 54 HD2 LYS 54 -8.507 11.000 -15.194
437 HD3 LYS 54 HD3 LYS 54 -8.886 10.833 -16.909
438 HE2 LYS 54 HE2 LYS 54 -10.916 11.747 -16.591
439 HE3 LYS 54 HE3 LYS 54 -11.299 10.541 -15.361
440 HZ1 LYS 54 HZ1 LYS 54 -10.303 13.253 -15.054
441 HZ2 LYS 54 HZ2 LYS 54 -9.634 12.096 -14.005
442 HZ3 LYS 54 HZ3 LYS 54 -11.314 12.347 -14.039
443 H LYS 55 H LYS 55 -5.970 6.530 -14.442
444 HA LYS 55 HA LYS 55 -4.164 6.058 -16.593
445 HB2 LYS 55 HB2 LYS 55 -4.008 5.016 -13.748
446 HB3 LYS 55 HB3 LYS 55 -2.666 5.074 -14.889
447 HG2 LYS 55 HG2 LYS 55 -4.224 7.526 -14.033
448 HG3 LYS 55 HG3 LYS 55 -2.741 6.999 -13.243
449 HD2 LYS 55 HD2 LYS 55 -1.654 7.074 -15.561
450 HD3 LYS 55 HD3 LYS 55 -3.097 7.930 -16.101
451 HE2 LYS 55 HE2 LYS 55 -2.233 9.844 -15.318
452 HE3 LYS 55 HE3 LYS 55 -2.276 9.174 -13.688
453 HZ1 LYS 55 HZ1 LYS 55 -0.059 9.572 -13.921
454 HZ2 LYS 55 HZ2 LYS 55 -0.057 9.297 -15.597
455 HZ3 LYS 55 HZ3 LYS 55 -0.116 7.986 -14.519
456 H ASN 56 H ASN 56 -6.344 3.897 -14.878
457 HA ASN 56 HA ASN 56 -6.907 1.660 -15.308
458 HB2 ASN 56 HB2 ASN 56 -7.206 2.861 -17.616
459 HB3 ASN 56 HB3 ASN 56 -5.742 1.985 -18.061
460 HD21 ASN 56 HD21 ASN 56 -6.494 -0.330 -16.234
461 HD22 ASN 56 HD22 ASN 56 -7.720 -1.155 -17.067
462 H VAL 57 H VAL 57 -4.529 1.901 -13.977
463 HA VAL 57 HA VAL 57 -2.726 -0.041 -15.352
464 HB VAL 57 HB VAL 57 -1.625 2.099 -14.872
465 HG11 VAL 57 HG11 VAL 57 -2.416 1.537 -11.997
466 HG12 VAL 57 HG12 VAL 57 -3.077 2.816 -13.015
467 HG13 VAL 57 HG13 VAL 57 -1.382 2.860 -12.532
468 HG21 VAL 57 HG21 VAL 57 -0.354 0.631 -12.710
469 HG22 VAL 57 HG22 VAL 57 0.257 0.978 -14.327
470 HG23 VAL 57 HG23 VAL 57 -0.753 -0.441 -14.053
471 H LEU 58 H LEU 58 -2.298 -1.963 -14.302
472 HA LEU 58 HA LEU 58 -4.004 -2.595 -12.012
473 HB2 LEU 58 HB2 LEU 58 -3.412 -4.862 -12.365
474 HB3 LEU 58 HB3 LEU 58 -3.489 -4.165 -13.976
475 HG LEU 58 HG LEU 58 -0.938 -4.576 -12.376
476 HD11 LEU 58 HD11 LEU 58 -1.274 -5.976 -14.922
477 HD12 LEU 58 HD12 LEU 58 -2.453 -6.468 -13.706
478 HD13 LEU 58 HD13 LEU 58 -0.727 -6.592 -13.362
479 HD21 LEU 58 HD21 LEU 58 -0.604 -2.711 -13.833
480 HD22 LEU 58 HD22 LEU 58 -1.533 -3.467 -15.128
481 HD23 LEU 58 HD23 LEU 58 0.056 -4.098 -14.697
482 H TRP 59 H TRP 59 -3.364 -2.780 -9.910
483 HA TRP 59 HA TRP 59 -0.744 -1.723 -9.187
484 HB2 TRP 59 HB2 TRP 59 -3.115 -2.767 -7.652
485 HB3 TRP 59 HB3 TRP 59 -1.601 -2.421 -6.830
486 HD1 TRP 59 HD1 TRP 59 -4.693 -0.798 -7.945
487 HE1 TRP 59 HE1 TRP 59 -4.487 1.779 -7.811
488 HE3 TRP 59 HE3 TRP 59 0.334 -0.377 -7.253
489 HZ2 TRP 59 HZ2 TRP 59 -2.440 3.739 -7.437
490 HZ3 TRP 59 HZ3 TRP 59 1.393 1.844 -6.999
491 HH2 TRP 59 HH2 TRP 59 0.011 3.903 -7.090
492 H ASP 60 H ASP 60 1.047 -2.905 -8.645
493 HA ASP 60 HA ASP 60 0.746 -5.823 -8.151
494 HB2 ASP 60 HB2 ASP 60 2.626 -4.589 -10.187
495 HB3 ASP 60 HB3 ASP 60 2.647 -6.279 -9.692
496 H GLU 61 H GLU 61 2.946 -6.710 -7.374
497 HA GLU 61 HA GLU 61 3.847 -5.154 -5.157
498 HB2 GLU 61 HB2 GLU 61 5.225 -7.455 -6.577
499 HB3 GLU 61 HB3 GLU 61 5.660 -6.835 -4.984
500 HG2 GLU 61 HG2 GLU 61 3.381 -7.365 -4.168
501 HG3 GLU 61 HG3 GLU 61 2.982 -8.031 -5.751
502 H ASN 62 H ASN 62 5.109 -5.589 -8.435
503 HA ASN 62 HA ASN 62 7.541 -4.112 -8.051
504 HB2 ASN 62 HB2 ASN 62 5.867 -4.575 -10.538
505 HB3 ASN 62 HB3 ASN 62 7.479 -3.863 -10.544
506 HD21 ASN 62 HD21 ASN 62 6.959 -6.332 -11.896
507 HD22 ASN 62 HD22 ASN 62 7.783 -7.573 -11.083
508 H ASN 63 H ASN 63 4.291 -3.174 -9.130
509 HA ASN 63 HA ASN 63 4.863 -0.435 -9.673
510 HB2 ASN 63 HB2 ASN 63 2.300 -1.703 -8.658
511 HB3 ASN 63 HB3 ASN 63 2.426 -0.076 -9.322
512 HD21 ASN 63 HD21 ASN 63 0.760 -2.039 -10.572
513 HD22 ASN 63 HD22 ASN 63 1.434 -2.435 -12.080
514 H MET 64 H MET 64 4.044 -2.141 -6.683
515 HA MET 64 HA MET 64 3.666 0.139 -5.017
516 HB2 MET 64 HB2 MET 64 4.394 -2.724 -4.580
517 HB3 MET 64 HB3 MET 64 4.680 -1.596 -3.256
518 HG2 MET 64 HG2 MET 64 2.366 -2.783 -3.402
519 HG3 MET 64 HG3 MET 64 2.409 -1.056 -3.053
520 HE1 MET 64 HE1 MET 64 -0.635 -2.101 -4.783
521 HE2 MET 64 HE2 MET 64 -0.396 -0.360 -4.666
522 HE3 MET 64 HE3 MET 64 0.175 -1.410 -3.370
523 H SER 65 H SER 65 6.616 -1.626 -5.948
524 HA SER 65 HA SER 65 8.410 -0.256 -4.211
525 HB2 SER 65 HB2 SER 65 8.989 -1.270 -7.009
526 HB3 SER 65 HB3 SER 65 10.172 -0.970 -5.739
527 HG SER 65 HG SER 65 8.222 -2.987 -5.955
528 H GLU 66 H GLU 66 7.304 0.504 -7.503
529 HA GLU 66 HA GLU 66 8.864 2.918 -7.735
530 HB2 GLU 66 HB2 GLU 66 6.348 2.007 -9.164
531 HB3 GLU 66 HB3 GLU 66 7.300 3.414 -9.623
532 HG2 GLU 66 HG2 GLU 66 9.285 1.952 -9.928
533 HG3 GLU 66 HG3 GLU 66 8.287 0.550 -9.537
534 H TYR 67 H TYR 67 5.658 2.140 -6.506
535 HA TYR 67 HA TYR 67 4.633 4.789 -6.309
536 HB2 TYR 67 HB2 TYR 67 3.176 2.873 -6.011
537 HB3 TYR 67 HB3 TYR 67 4.102 2.341 -4.606
538 HD1 TYR 67 HD2 TYR 67 1.867 4.990 -5.906
539 HD2 TYR 67 HD1 TYR 67 3.814 3.348 -2.462
540 HE1 TYR 67 HE2 TYR 67 0.508 6.458 -4.442
541 HE2 TYR 67 HE1 TYR 67 2.458 4.810 -0.992
542 HH TYR 67 HH TYR 67 0.802 6.288 -0.893
543 H LEU 68 H LEU 68 6.300 2.812 -3.830
544 HA LEU 68 HA LEU 68 6.347 4.895 -1.871
545 HB2 LEU 68 HB2 LEU 68 8.077 2.443 -2.260
546 HB3 LEU 68 HB3 LEU 68 8.169 3.485 -0.844
547 HG LEU 68 HG LEU 68 5.629 2.129 -1.796
548 HD11 LEU 68 HD11 LEU 68 6.800 1.305 0.771
549 HD12 LEU 68 HD12 LEU 68 7.783 0.870 -0.628
550 HD13 LEU 68 HD13 LEU 68 6.110 0.321 -0.519
551 HD21 LEU 68 HD21 LEU 68 5.206 2.722 0.792
552 HD22 LEU 68 HD22 LEU 68 4.840 3.864 -0.499
553 HD23 LEU 68 HD23 LEU 68 6.344 4.011 0.407
554 H THR 69 H THR 69 8.658 3.923 -4.374
555 HA THR 69 HA THR 69 10.669 5.850 -3.574
556 HB THR 69 HB THR 69 11.743 5.309 -5.700
557 HG1 THR 69 HG1 THR 69 10.669 4.235 -7.272
558 HG21 THR 69 HG21 THR 69 11.522 2.707 -5.519
559 HG22 THR 69 HG22 THR 69 10.514 3.069 -4.118
560 HG23 THR 69 HG23 THR 69 12.192 3.610 -4.160
561 H ASN 70 H ASN 70 8.019 5.850 -5.945
562 HA ASN 70 HA ASN 70 8.131 8.805 -5.974
563 HB2 ASN 70 HB2 ASN 70 8.308 7.138 -8.503
564 HB3 ASN 70 HB3 ASN 70 8.115 8.890 -8.446
565 HD21 ASN 70 HD21 ASN 70 10.447 6.936 -9.287
566 HD22 ASN 70 HD22 ASN 70 11.801 7.634 -8.538
567 H HIS 71 H HIS 71 6.102 9.713 -6.330
568 HA HIS 71 HA HIS 71 3.921 8.424 -7.634
569 HB2 HIS 71 HB2 HIS 71 2.526 7.982 -5.573
570 HB3 HIS 71 HB3 HIS 71 3.880 6.877 -5.791
571 HD1 HIS 71 HD1 HIS 71 6.229 8.107 -4.599
572 HD2 HIS 71 HD2 HIS 71 2.461 8.761 -2.933
573 HE1 HIS 71 HE1 HIS 71 6.620 8.837 -2.204
574 HE2 HIS 71 HE2 HIS 71 4.334 9.241 -1.182
575 H ALA 72 H ALA 72 3.496 10.481 -8.465
576 HA ALA 72 HA ALA 72 2.214 12.363 -6.572
577 HB1 ALA 72 HB1 ALA 72 4.462 13.229 -6.607
578 HB2 ALA 72 HB2 ALA 72 3.493 14.277 -7.644
579 HB3 ALA 72 HB3 ALA 72 4.559 13.068 -8.360
580 H LYS 73 H LYS 73 3.081 13.781 -9.536
581 HA LYS 73 HA LYS 73 0.414 14.077 -10.440
582 HB2 LYS 73 HB2 LYS 73 2.994 14.113 -12.035
583 HB3 LYS 73 HB3 LYS 73 1.438 14.686 -12.635
584 HG2 LYS 73 HG2 LYS 73 1.340 16.294 -10.725
585 HG3 LYS 73 HG3 LYS 73 2.958 15.774 -10.247
586 HD2 LYS 73 HD2 LYS 73 3.793 16.439 -12.508
587 HD3 LYS 73 HD3 LYS 73 2.187 17.067 -12.879
588 HE2 LYS 73 HE2 LYS 73 2.851 19.014 -11.954
589 HE3 LYS 73 HE3 LYS 73 2.811 18.190 -10.396
590 HZ1 LYS 73 HZ1 LYS 73 4.988 18.489 -10.288
591 HZ2 LYS 73 HZ2 LYS 73 5.047 19.108 -11.869
592 HZ3 LYS 73 HZ3 LYS 73 5.175 17.435 -11.604
593 H TYR 74 H TYR 74 2.769 11.536 -11.041
594 HA TYR 74 HA TYR 74 1.561 10.205 -13.211
595 HB2 TYR 74 HB2 TYR 74 3.692 9.456 -12.478
596 HB3 TYR 74 HB3 TYR 74 3.132 9.233 -10.823
597 HD1 TYR 74 HD2 TYR 74 1.692 8.121 -14.117
598 HD2 TYR 74 HD1 TYR 74 3.286 7.004 -10.294
599 HE1 TYR 74 HE2 TYR 74 1.159 5.743 -14.591
600 HE2 TYR 74 HE1 TYR 74 2.761 4.628 -10.758
601 HH TYR 74 HH TYR 74 2.446 3.260 -13.199
602 H ILE 75 H ILE 75 0.849 9.951 -9.740
603 HA ILE 75 HA ILE 75 -1.669 8.486 -10.437
604 HB ILE 75 HB ILE 75 -1.013 8.261 -7.640
605 HG12 ILE 75 HG12 ILE 75 1.226 7.610 -9.554
606 HG13 ILE 75 HG13 ILE 75 1.276 8.782 -8.243
607 HG21 ILE 75 HG21 ILE 75 -0.562 6.020 -9.592
608 HG22 ILE 75 HG22 ILE 75 -2.203 6.628 -9.395
609 HG23 ILE 75 HG23 ILE 75 -1.334 5.975 -8.011
610 HD11 ILE 75 HD11 ILE 75 2.364 6.757 -7.491
611 HD12 ILE 75 HD12 ILE 75 0.992 5.777 -8.000
612 HD13 ILE 75 HD13 ILE 75 0.823 6.897 -6.649
613 HA PRO 76 HA PRO 76 -4.268 11.578 -8.626
614 HB2 PRO 76 HB2 PRO 76 -4.623 10.061 -6.081
615 HB3 PRO 76 HB3 PRO 76 -5.844 10.750 -7.166
616 HG2 PRO 76 HG2 PRO 76 -5.315 8.121 -7.078
617 HG3 PRO 76 HG3 PRO 76 -5.817 8.947 -8.563
618 HD2 PRO 76 HD2 PRO 76 -3.167 7.875 -7.822
619 HD3 PRO 76 HD3 PRO 76 -3.846 8.174 -9.436
620 H GLY 77 H GLY 77 -3.998 13.443 -7.351
621 HA2 GLY 77 HA2 GLY 77 -1.444 13.888 -6.139
622 HA3 GLY 77 HA3 GLY 77 -2.838 14.960 -5.982
623 H THR 78 H THR 78 -3.704 11.867 -5.052
624 HA THR 78 HA THR 78 -4.439 12.362 -2.459
625 HB THR 78 HB THR 78 -4.709 10.188 -3.747
626 HG1 THR 78 HG1 THR 78 -4.075 9.013 -1.582
627 HG21 THR 78 HG21 THR 78 -2.068 10.167 -4.016
628 HG22 THR 78 HG22 THR 78 -2.975 8.658 -3.904
629 HG23 THR 78 HG23 THR 78 -2.145 9.294 -2.484
630 H LYS 79 H LYS 79 -3.398 12.888 -0.596
631 HA LYS 79 HA LYS 79 -0.425 12.669 -0.558
632 HB2 LYS 79 HB2 LYS 79 -2.338 14.247 1.195
633 HB3 LYS 79 HB3 LYS 79 -0.584 14.235 1.381
634 HG2 LYS 79 HG2 LYS 79 -0.373 15.064 -0.968
635 HG3 LYS 79 HG3 LYS 79 -2.132 15.184 -1.048
636 HD2 LYS 79 HD2 LYS 79 -2.074 16.723 0.920
637 HD3 LYS 79 HD3 LYS 79 -0.311 16.671 0.867
638 HE2 LYS 79 HE2 LYS 79 -1.300 17.239 -1.768
639 HE3 LYS 79 HE3 LYS 79 -2.045 18.358 -0.627
640 HZ1 LYS 79 HZ1 LYS 79 0.864 17.824 -0.907
641 HZ2 LYS 79 HZ2 LYS 79 0.164 18.867 0.239
642 HZ3 LYS 79 HZ3 LYS 79 0.052 19.223 -1.418
643 H MET 80 H MET 80 0.431 11.010 0.615
644 HA MET 80 HA MET 80 -1.351 9.648 2.576
645 HB2 MET 80 HB2 MET 80 -0.269 8.383 0.621
646 HB3 MET 80 HB3 MET 80 1.260 8.593 1.472
647 HG2 MET 80 HG2 MET 80 0.713 7.085 3.104
648 HG3 MET 80 HG3 MET 80 -0.992 7.524 3.096
649 HE1 MET 80 HE1 MET 80 1.178 4.289 0.815
650 HE2 MET 80 HE2 MET 80 1.530 5.037 2.370
651 HE3 MET 80 HE3 MET 80 1.827 5.933 0.883
652 H ALA 81 H ALA 81 -0.922 9.896 4.703
653 HA ALA 81 HA ALA 81 1.211 11.563 5.641
654 HB1 ALA 81 HB1 ALA 81 -0.273 11.598 7.337
655 HB2 ALA 81 HB2 ALA 81 0.375 10.031 7.823
656 HB3 ALA 81 HB3 ALA 81 -1.043 10.112 6.777
657 H PHE 82 H PHE 82 0.927 8.065 5.260
658 HA PHE 82 HA PHE 82 3.049 7.239 6.933
659 HB2 PHE 82 HB2 PHE 82 1.475 5.726 5.659
660 HB3 PHE 82 HB3 PHE 82 2.425 6.062 4.211
661 HD1 PHE 82 HD2 PHE 82 2.434 4.466 7.535
662 HD2 PHE 82 HD1 PHE 82 4.694 5.198 3.953
663 HE1 PHE 82 HE2 PHE 82 4.079 2.741 8.219
664 HE2 PHE 82 HE1 PHE 82 6.341 3.474 4.643
665 HZ PHE 82 HZ PHE 82 6.028 2.245 6.772
666 H GLY 83 H GLY 83 3.166 8.342 3.536
667 HA2 GLY 83 HA2 GLY 83 4.982 9.141 2.279
668 HA3 GLY 83 HA3 GLY 83 5.728 9.564 3.822
669 H GLY 84 H GLY 84 7.678 8.602 4.052
670 HA2 GLY 84 HA2 GLY 84 7.942 5.747 3.220
671 HA3 GLY 84 HA3 GLY 84 9.178 6.917 2.754
672 H LEU 85 H LEU 85 9.724 4.641 4.401
673 HA LEU 85 HA LEU 85 10.000 5.770 7.129
674 HB2 LEU 85 HB2 LEU 85 10.692 3.003 6.103
675 HB3 LEU 85 HB3 LEU 85 10.596 3.509 7.783
676 HG LEU 85 HG LEU 85 8.306 3.399 5.811
677 HD11 LEU 85 HD11 LEU 85 7.793 1.959 8.190
678 HD12 LEU 85 HD12 LEU 85 9.433 1.530 7.704
679 HD13 LEU 85 HD13 LEU 85 8.093 1.293 6.584
680 HD21 LEU 85 HD21 LEU 85 7.064 3.901 8.092
681 HD22 LEU 85 HD22 LEU 85 7.726 5.228 7.138
682 HD23 LEU 85 HD23 LEU 85 8.611 4.620 8.538
683 H LYS 86 H LYS 86 11.978 6.422 7.910
684 HA LYS 86 HA LYS 86 14.175 6.879 6.152
685 HB2 LYS 86 HB2 LYS 86 13.781 8.090 8.314
686 HB3 LYS 86 HB3 LYS 86 14.272 6.630 9.174
687 HG2 LYS 86 HG2 LYS 86 16.466 6.708 8.008
688 HG3 LYS 86 HG3 LYS 86 15.976 8.210 7.223
689 HD2 LYS 86 HD2 LYS 86 15.633 9.213 9.500
690 HD3 LYS 86 HD3 LYS 86 16.315 7.745 10.199
691 HE2 LYS 86 HE2 LYS 86 17.720 9.594 8.249
692 HE3 LYS 86 HE3 LYS 86 18.049 9.477 9.978
693 HZ1 LYS 86 HZ1 LYS 86 18.111 6.923 8.721
694 HZ2 LYS 86 HZ2 LYS 86 19.301 7.693 9.659
695 HZ3 LYS 86 HZ3 LYS 86 19.208 7.989 7.988
696 H LYS 87 H LYS 87 13.418 4.225 8.351
697 HA LYS 87 HA LYS 87 15.921 2.879 8.267
698 HB2 LYS 87 HB2 LYS 87 13.114 1.769 8.551
699 HB3 LYS 87 HB3 LYS 87 14.588 0.848 8.858
700 HG2 LYS 87 HG2 LYS 87 15.255 2.548 10.556
701 HG3 LYS 87 HG3 LYS 87 13.715 3.370 10.300
702 HD2 LYS 87 HD2 LYS 87 12.526 1.281 10.944
703 HD3 LYS 87 HD3 LYS 87 14.084 0.529 11.290
704 HE2 LYS 87 HE2 LYS 87 14.212 2.931 12.676
705 HE3 LYS 87 HE3 LYS 87 12.539 2.422 12.899
706 HZ1 LYS 87 HZ1 LYS 87 13.250 0.972 14.392
707 HZ2 LYS 87 HZ2 LYS 87 14.870 1.386 14.095
708 HZ3 LYS 87 HZ3 LYS 87 14.123 0.162 13.185
709 H GLU 88 H GLU 88 13.283 3.018 5.964
710 HA GLU 88 HA GLU 88 13.087 2.218 3.783
711 HB2 GLU 88 HB2 GLU 88 16.094 1.931 4.054
712 HB3 GLU 88 HB3 GLU 88 15.202 1.750 2.547
713 HG2 GLU 88 HG2 GLU 88 14.327 4.056 2.805
714 HG3 GLU 88 HG3 GLU 88 15.280 4.237 4.277
715 H LYS 89 H LYS 89 15.593 0.104 5.285
716 HA LYS 89 HA LYS 89 14.838 -2.256 3.972
717 HB2 LYS 89 HB2 LYS 89 16.838 -2.018 5.451
718 HB3 LYS 89 HB3 LYS 89 15.765 -2.052 6.851
719 HG2 LYS 89 HG2 LYS 89 14.935 -4.283 6.132
720 HG3 LYS 89 HG3 LYS 89 16.079 -4.253 4.789
721 HD2 LYS 89 HD2 LYS 89 17.940 -4.004 6.446
722 HD3 LYS 89 HD3 LYS 89 16.760 -4.199 7.743
723 HE2 LYS 89 HE2 LYS 89 17.400 -6.401 7.518
724 HE3 LYS 89 HE3 LYS 89 16.119 -6.366 6.306
725 HZ1 LYS 89 HZ1 LYS 89 19.015 -6.441 5.951
726 HZ2 LYS 89 HZ2 LYS 89 18.120 -5.542 4.821
727 HZ3 LYS 89 HZ3 LYS 89 17.793 -7.194 5.049
728 H ASP 90 H ASP 90 13.554 -0.953 7.040
729 HA ASP 90 HA ASP 90 11.728 -3.086 7.526
730 HB2 ASP 90 HB2 ASP 90 11.621 -0.155 8.286
731 HB3 ASP 90 HB3 ASP 90 10.475 -1.357 8.872
732 H ARG 91 H ARG 91 11.460 -0.125 5.592
733 HA ARG 91 HA ARG 91 8.698 -0.244 4.992
734 HB2 ARG 91 HB2 ARG 91 10.239 1.625 4.342
735 HB3 ARG 91 HB3 ARG 91 10.915 0.579 3.094
736 HG2 ARG 91 HG2 ARG 91 8.703 0.368 2.046
737 HG3 ARG 91 HG3 ARG 91 8.000 1.382 3.305
738 HD2 ARG 91 HD2 ARG 91 8.420 2.795 1.394
739 HD3 ARG 91 HD3 ARG 91 9.616 3.200 2.624
740 HE ARG 91 HE ARG 91 10.785 1.213 1.006
741 HH11 ARG 91 HH21 ARG 91 9.500 4.401 0.743
742 HH12 ARG 91 HH22 ARG 91 10.548 4.860 -0.557
743 HH21 ARG 91 HH11 ARG 91 12.161 1.794 -0.690
744 HH22 ARG 91 HH12 ARG 91 12.054 3.384 -1.369
745 H ASN 92 H ASN 92 11.442 -1.947 3.529
746 HA ASN 92 HA ASN 92 10.081 -3.139 1.353
747 HB2 ASN 92 HB2 ASN 92 12.347 -4.207 3.061
748 HB3 ASN 92 HB3 ASN 92 11.840 -4.912 1.530
749 HD21 ASN 92 HD21 ASN 92 14.475 -3.832 1.865
750 HD22 ASN 92 HD22 ASN 92 14.615 -2.453 0.886
751 H ASP 93 H ASP 93 10.348 -4.122 4.748
752 HA ASP 93 HA ASP 93 9.061 -6.650 4.504
753 HB2 ASP 93 HB2 ASP 93 9.147 -4.687 6.809
754 HB3 ASP 93 HB3 ASP 93 8.533 -6.333 6.938
755 H LEU 94 H LEU 94 7.757 -3.379 4.878
756 HA LEU 94 HA LEU 94 5.050 -4.114 5.378
757 HB2 LEU 94 HB2 LEU 94 6.405 -1.677 4.277
758 HB3 LEU 94 HB3 LEU 94 4.652 -1.802 4.163
759 HG LEU 94 HG LEU 94 5.518 -0.648 6.253
760 HD11 LEU 94 HD11 LEU 94 4.145 -2.817 7.527
761 HD12 LEU 94 HD12 LEU 94 3.447 -2.583 5.925
762 HD13 LEU 94 HD13 LEU 94 3.506 -1.240 7.065
763 HD21 LEU 94 HD21 LEU 94 6.658 -1.860 7.906
764 HD22 LEU 94 HD22 LEU 94 7.399 -2.454 6.424
765 HD23 LEU 94 HD23 LEU 94 6.170 -3.418 7.240
766 H ILE 95 H ILE 95 6.816 -3.664 2.306
767 HA ILE 95 HA ILE 95 4.580 -3.844 0.583
768 HB ILE 95 HB ILE 95 7.406 -4.837 0.138
769 HG12 ILE 95 HG12 ILE 95 6.102 -2.191 -0.576
770 HG13 ILE 95 HG13 ILE 95 7.193 -2.428 0.789
771 HG21 ILE 95 HG21 ILE 95 6.802 -4.438 -2.269
772 HG22 ILE 95 HG22 ILE 95 5.132 -4.200 -1.753
773 HG23 ILE 95 HG23 ILE 95 5.913 -5.764 -1.521
774 HD11 ILE 95 HD11 ILE 95 7.954 -3.080 -2.069
775 HD12 ILE 95 HD12 ILE 95 9.020 -3.004 -0.666
776 HD13 ILE 95 HD13 ILE 95 8.299 -1.528 -1.307
777 H THR 96 H THR 96 6.642 -6.401 1.963
778 HA THR 96 HA THR 96 5.379 -8.602 0.660
779 HB THR 96 HB THR 96 6.227 -9.950 2.573
780 HG1 THR 96 HG1 THR 96 7.324 -8.814 4.219
781 HG21 THR 96 HG21 THR 96 8.144 -7.839 1.548
782 HG22 THR 96 HG22 THR 96 7.753 -9.362 0.746
783 HG23 THR 96 HG23 THR 96 8.617 -9.372 2.283
784 H TYR 97 H TYR 97 4.629 -6.948 3.713
785 HA TYR 97 HA TYR 97 2.503 -8.639 4.544
786 HB2 TYR 97 HB2 TYR 97 3.514 -6.895 5.987
787 HB3 TYR 97 HB3 TYR 97 2.783 -5.649 4.976
788 HD1 TYR 97 HD2 TYR 97 2.047 -8.486 7.256
789 HD2 TYR 97 HD1 TYR 97 0.467 -5.078 5.176
790 HE1 TYR 97 HE2 TYR 97 -0.062 -8.676 8.548
791 HE2 TYR 97 HE1 TYR 97 -1.643 -5.268 6.466
792 HH TYR 97 HH TYR 97 -2.891 -7.101 7.685
793 H LEU 98 H LEU 98 2.524 -5.837 2.350
794 HA LEU 98 HA LEU 98 -0.272 -5.559 2.019
795 HB2 LEU 98 HB2 LEU 98 2.134 -4.865 0.442
796 HB3 LEU 98 HB3 LEU 98 0.644 -5.016 -0.491
797 HG LEU 98 HG LEU 98 1.056 -2.697 0.414
798 HD11 LEU 98 HD11 LEU 98 -1.183 -2.504 0.301
799 HD12 LEU 98 HD12 LEU 98 -1.355 -3.288 1.871
800 HD13 LEU 98 HD13 LEU 98 -1.312 -4.260 0.404
801 HD21 LEU 98 HD21 LEU 98 0.150 -3.556 3.101
802 HD22 LEU 98 HD22 LEU 98 1.304 -2.299 2.650
803 HD23 LEU 98 HD23 LEU 98 1.811 -3.987 2.694
804 H LYS 99 H LYS 99 2.003 -7.790 0.466
805 HA LYS 99 HA LYS 99 0.223 -8.914 -1.438
806 HB2 LYS 99 HB2 LYS 99 2.669 -9.422 -1.319
807 HB3 LYS 99 HB3 LYS 99 2.376 -10.359 0.146
808 HG2 LYS 99 HG2 LYS 99 0.829 -11.829 -1.119
809 HG3 LYS 99 HG3 LYS 99 1.177 -10.912 -2.584
810 HD2 LYS 99 HD2 LYS 99 2.586 -12.884 -2.586
811 HD3 LYS 99 HD3 LYS 99 3.608 -11.479 -2.287
812 HE2 LYS 99 HE2 LYS 99 2.460 -12.812 0.113
813 HE3 LYS 99 HE3 LYS 99 3.713 -13.695 -0.757
814 HZ1 LYS 99 HZ1 LYS 99 4.990 -12.426 0.609
815 HZ2 LYS 99 HZ2 LYS 99 3.879 -11.142 0.666
816 HZ3 LYS 99 HZ3 LYS 99 4.865 -11.358 -0.702
817 H LYS 100 H LYS 100 0.788 -9.677 1.982
818 HA LYS 100 HA LYS 100 -0.971 -11.909 2.147
819 HB2 LYS 100 HB2 LYS 100 0.633 -11.416 3.919
820 HB3 LYS 100 HB3 LYS 100 -0.164 -9.881 4.252
821 HG2 LYS 100 HG2 LYS 100 -0.871 -11.516 5.906
822 HG3 LYS 100 HG3 LYS 100 -2.235 -11.134 4.869
823 HD2 LYS 100 HD2 LYS 100 -0.606 -13.360 3.851
824 HD3 LYS 100 HD3 LYS 100 -1.287 -13.684 5.440
825 HE2 LYS 100 HE2 LYS 100 -3.526 -12.801 4.376
826 HE3 LYS 100 HE3 LYS 100 -2.722 -13.152 2.849
827 HZ1 LYS 100 HZ1 LYS 100 -3.127 -15.289 3.131
828 HZ2 LYS 100 HZ2 LYS 100 -3.986 -14.937 4.554
829 HZ3 LYS 100 HZ3 LYS 100 -2.326 -15.293 4.626
830 H ALA 101 H ALA 101 -1.562 -8.432 2.556
831 HA ALA 101 HA ALA 101 -4.255 -8.650 3.437
832 HB1 ALA 101 HB1 ALA 101 -4.270 -6.375 3.337
833 HB2 ALA 101 HB2 ALA 101 -3.660 -6.352 1.681
834 HB3 ALA 101 HB3 ALA 101 -2.543 -6.561 3.030
835 H THR 102 H THR 102 -2.852 -8.699 0.191
836 HA THR 102 HA THR 102 -5.395 -8.503 -1.175
837 HB THR 102 HB THR 102 -2.772 -8.376 -1.977
838 HG1 THR 102 HG1 THR 102 -4.120 -8.864 -4.129
839 HG21 THR 102 HG21 THR 102 -2.707 -10.914 -1.877
840 HG22 THR 102 HG22 THR 102 -2.288 -10.214 -3.437
841 HG23 THR 102 HG23 THR 102 -3.885 -10.916 -3.190
842 H GLU 103 H GLU 103 -3.509 -11.152 0.161
843 HA GLU 103 HA GLU 103 -3.969 -13.457 0.283
844 HB2 GLU 103 HB2 GLU 103 -5.803 -12.465 1.679
845 HB3 GLU 103 HB3 GLU 103 -6.833 -12.462 0.247
846 HG2 GLU 103 HG2 GLU 103 -6.496 -14.924 0.040
847 HG3 GLU 103 HG3 GLU 103 -5.565 -14.895 1.537
848 HHA HEC 104 HA HEC 104 -3.842 4.463 -2.158
849 HHB HEC 104 HB HEC 104 0.099 0.783 1.088
850 HHC HEC 104 HC HEC 104 -0.844 4.357 6.262
851 HHD HEC 104 HD HEC 104 -4.912 7.915 3.024
852 HMA1 HEC 104 1HMA HEC 104 0.222 0.358 -1.702
853 HMA2 HEC 104 2HMA HEC 104 -1.404 -0.044 -2.255
854 HMA3 HEC 104 3HMA HEC 104 -0.930 -0.385 -0.592
855 HAA1 HEC 104 1HAA HEC 104 -1.541 1.770 -3.635
856 HAA2 HEC 104 2HAA HEC 104 -3.085 2.608 -3.565
857 HBA1 HEC 104 1HBA HEC 104 -0.579 3.653 -4.369
858 HBA2 HEC 104 2HBA HEC 104 -0.992 4.441 -2.847
859 HMB1 HEC 104 1HMB HEC 104 1.600 0.271 2.473
860 HMB2 HEC 104 2HMB HEC 104 2.522 1.259 3.590
861 HMB3 HEC 104 3HMB HEC 104 1.591 -0.117 4.177
862 HAB HEC 104 HAB HEC 104 0.279 2.635 6.897
863 HBB1 HEC 104 1HBB HEC 104 1.883 1.155 7.507
864 HBB2 HEC 104 2HBB HEC 104 2.322 1.256 5.813
865 HBB3 HEC 104 3HBB HEC 104 1.325 -0.082 6.386
866 HMC1 HEC 104 1HMC HEC 104 -2.325 7.704 7.401
867 HMC2 HEC 104 2HMC HEC 104 -0.838 6.920 6.869
868 HMC3 HEC 104 3HMC HEC 104 -2.017 6.020 7.822
869 HAC HEC 104 HAC HEC 104 -5.526 7.713 5.184
870 HBC1 HEC 104 1HBC HEC 104 -5.070 9.890 5.568
871 HBC2 HEC 104 2HBC HEC 104 -4.183 9.484 7.038
872 HBC3 HEC 104 3HBC HEC 104 -3.352 9.498 5.482
873 HMD1 HEC 104 1HMD HEC 104 -4.879 9.267 0.683
874 HMD2 HEC 104 2HMD HEC 104 -6.453 8.638 1.170
875 HMD3 HEC 104 3HMD HEC 104 -6.055 8.789 -0.541
876 HAD1 HEC 104 1HAD HEC 104 -6.728 6.900 -1.633
877 HAD2 HEC 104 2HAD HEC 104 -6.087 5.319 -2.051
878 HBD1 HEC 104 1HBD HEC 104 -5.450 7.976 -3.184
879 HBD2 HEC 104 2HBD HEC 104 -4.073 6.899 -2.946
Start of MODEL 17
1 H1 THR -5 H1 THR -5 14.374 -8.803 -5.985
2 H2 THR -5 H2 THR -5 16.052 -8.817 -6.249
3 H3 THR -5 H3 THR -5 14.994 -9.380 -7.454
4 HA THR -5 HA THR -5 15.822 -7.181 -8.008
5 HB THR -5 HB THR -5 13.675 -6.177 -8.477
6 HG1 THR -5 HG1 THR -5 11.820 -7.163 -7.354
7 HG21 THR -5 HG21 THR -5 12.467 -8.077 -9.409
8 HG22 THR -5 HG22 THR -5 13.319 -9.182 -8.330
9 HG23 THR -5 HG23 THR -5 14.200 -8.339 -9.604
10 H GLU -4 H GLU -4 14.617 -4.791 -7.317
11 HA GLU -4 HA GLU -4 16.139 -3.923 -5.088
12 HB2 GLU -4 HB2 GLU -4 15.176 -2.427 -6.854
13 HB3 GLU -4 HB3 GLU -4 13.584 -2.667 -6.134
14 HG2 GLU -4 HG2 GLU -4 14.466 -1.781 -3.975
15 HG3 GLU -4 HG3 GLU -4 16.006 -1.453 -4.771
16 H PHE -3 H PHE -3 12.838 -5.164 -5.292
17 HA PHE -3 HA PHE -3 12.529 -4.765 -2.356
18 HB2 PHE -3 HB2 PHE -3 10.583 -3.982 -3.391
19 HB3 PHE -3 HB3 PHE -3 10.616 -5.239 -4.626
20 HD1 PHE -3 HD2 PHE -3 10.984 -5.624 -0.920
21 HD2 PHE -3 HD1 PHE -3 8.533 -6.317 -4.379
22 HE1 PHE -3 HE2 PHE -3 9.457 -7.022 0.439
23 HE2 PHE -3 HE1 PHE -3 7.005 -7.712 -3.015
24 HZ PHE -3 HZ PHE -3 7.466 -8.064 -0.607
25 H LYS -2 H LYS -2 12.845 -6.479 -1.035
26 HA LYS -2 HA LYS -2 12.815 -9.209 -2.243
27 HB2 LYS -2 HB2 LYS -2 14.312 -8.160 0.177
28 HB3 LYS -2 HB3 LYS -2 14.319 -9.841 -0.359
29 HG2 LYS -2 HG2 LYS -2 15.218 -9.090 -2.565
30 HG3 LYS -2 HG3 LYS -2 15.317 -7.448 -1.930
31 HD2 LYS -2 HD2 LYS -2 16.798 -8.291 -0.102
32 HD3 LYS -2 HD3 LYS -2 16.773 -9.882 -0.861
33 HE2 LYS -2 HE2 LYS -2 17.449 -8.342 -2.995
34 HE3 LYS -2 HE3 LYS -2 18.193 -7.417 -1.690
35 HZ1 LYS -2 HZ1 LYS -2 19.845 -8.894 -2.073
36 HZ2 LYS -2 HZ2 LYS -2 18.803 -10.105 -2.651
37 HZ3 LYS -2 HZ3 LYS -2 18.947 -9.830 -0.980
38 H ALA -1 H ALA -1 11.513 -10.766 -1.268
39 HA ALA -1 HA ALA -1 9.424 -9.795 0.502
40 HB1 ALA -1 HB1 ALA -1 9.551 -12.678 0.348
41 HB2 ALA -1 HB2 ALA -1 9.750 -11.970 -1.256
42 HB3 ALA -1 HB3 ALA -1 8.324 -11.586 -0.294
43 H GLY 1 H GLY 1 10.304 -9.241 2.498
44 HA2 GLY 1 HA2 GLY 1 12.157 -11.022 3.890
45 HA3 GLY 1 HA3 GLY 1 11.444 -9.549 4.551
46 H SER 2 H SER 2 10.026 -9.896 6.183
47 HA SER 2 HA SER 2 8.485 -12.468 6.174
48 HB2 SER 2 HB2 SER 2 10.247 -12.381 7.949
49 HB3 SER 2 HB3 SER 2 9.475 -10.938 8.599
50 HG SER 2 HG SER 2 7.510 -12.460 8.492
51 H ALA 3 H ALA 3 6.306 -12.190 6.226
52 HA ALA 3 HA ALA 3 5.154 -9.550 6.162
53 HB1 ALA 3 HB1 ALA 3 2.985 -11.041 6.562
54 HB2 ALA 3 HB2 ALA 3 4.103 -12.351 6.178
55 HB3 ALA 3 HB3 ALA 3 3.825 -11.058 5.012
56 H LYS 4 H LYS 4 5.614 -11.955 8.691
57 HA LYS 4 HA LYS 4 3.837 -10.920 10.644
58 HB2 LYS 4 HB2 LYS 4 6.575 -12.127 11.127
59 HB3 LYS 4 HB3 LYS 4 5.222 -12.091 12.256
60 HG2 LYS 4 HG2 LYS 4 3.886 -13.459 10.686
61 HG3 LYS 4 HG3 LYS 4 5.268 -13.511 9.589
62 HD2 LYS 4 HD2 LYS 4 5.250 -15.559 10.899
63 HD3 LYS 4 HD3 LYS 4 6.614 -14.570 11.417
64 HE2 LYS 4 HE2 LYS 4 5.761 -14.276 13.497
65 HE3 LYS 4 HE3 LYS 4 4.130 -14.000 12.884
66 HZ1 LYS 4 HZ1 LYS 4 3.935 -16.406 12.526
67 HZ2 LYS 4 HZ2 LYS 4 4.187 -16.018 14.160
68 HZ3 LYS 4 HZ3 LYS 4 5.464 -16.631 13.222
69 H LYS 5 H LYS 5 7.267 -10.203 10.068
70 HA LYS 5 HA LYS 5 7.542 -8.239 12.115
71 HB2 LYS 5 HB2 LYS 5 8.982 -8.504 9.458
72 HB3 LYS 5 HB3 LYS 5 9.496 -7.457 10.777
73 HG2 LYS 5 HG2 LYS 5 9.628 -9.457 12.266
74 HG3 LYS 5 HG3 LYS 5 9.237 -10.474 10.878
75 HD2 LYS 5 HD2 LYS 5 11.240 -9.552 9.696
76 HD3 LYS 5 HD3 LYS 5 11.658 -8.673 11.168
77 HE2 LYS 5 HE2 LYS 5 11.388 -11.683 10.920
78 HE3 LYS 5 HE3 LYS 5 12.902 -10.790 11.057
79 HZ1 LYS 5 HZ1 LYS 5 12.366 -10.101 13.224
80 HZ2 LYS 5 HZ2 LYS 5 11.997 -11.759 13.174
81 HZ3 LYS 5 HZ3 LYS 5 10.753 -10.606 13.084
82 H GLY 6 H GLY 6 6.718 -7.875 8.651
83 HA2 GLY 6 HA2 GLY 6 6.425 -5.015 8.798
84 HA3 GLY 6 HA3 GLY 6 5.768 -6.032 7.523
85 H ALA 7 H ALA 7 4.260 -7.729 9.407
86 HA ALA 7 HA ALA 7 1.783 -6.361 9.413
87 HB1 ALA 7 HB1 ALA 7 0.934 -8.169 10.693
88 HB2 ALA 7 HB2 ALA 7 2.494 -8.462 11.464
89 HB3 ALA 7 HB3 ALA 7 2.255 -8.882 9.768
90 H THR 8 H THR 8 4.250 -6.672 11.947
91 HA THR 8 HA THR 8 2.812 -5.225 13.970
92 HB THR 8 HB THR 8 4.986 -5.017 15.049
93 HG1 THR 8 HG1 THR 8 6.376 -6.154 12.970
94 HG21 THR 8 HG21 THR 8 3.873 -7.288 14.870
95 HG22 THR 8 HG22 THR 8 5.612 -7.328 15.162
96 HG23 THR 8 HG23 THR 8 4.982 -7.632 13.543
97 H LEU 9 H LEU 9 5.169 -4.310 11.513
98 HA LEU 9 HA LEU 9 5.322 -1.525 12.092
99 HB2 LEU 9 HB2 LEU 9 5.606 -3.008 9.470
100 HB3 LEU 9 HB3 LEU 9 6.119 -1.353 9.741
101 HG LEU 9 HG LEU 9 7.161 -3.807 11.183
102 HD11 LEU 9 HD11 LEU 9 8.087 -2.135 8.907
103 HD12 LEU 9 HD12 LEU 9 8.346 -3.850 9.219
104 HD13 LEU 9 HD13 LEU 9 9.311 -2.642 10.067
105 HD21 LEU 9 HD21 LEU 9 7.387 -2.182 12.825
106 HD22 LEU 9 HD22 LEU 9 7.469 -0.865 11.655
107 HD23 LEU 9 HD23 LEU 9 8.871 -1.901 11.916
108 H PHE 10 H PHE 10 3.192 -3.375 9.950
109 HA PHE 10 HA PHE 10 1.770 -1.121 8.875
110 HB2 PHE 10 HB2 PHE 10 1.812 -3.477 7.941
111 HB3 PHE 10 HB3 PHE 10 0.752 -3.957 9.263
112 HD1 PHE 10 HD2 PHE 10 -1.562 -3.086 9.404
113 HD2 PHE 10 HD1 PHE 10 1.007 -2.154 6.091
114 HE1 PHE 10 HE2 PHE 10 -3.529 -2.333 8.093
115 HE2 PHE 10 HE1 PHE 10 -0.960 -1.402 4.779
116 HZ PHE 10 HZ PHE 10 -3.229 -1.492 5.778
117 H LYS 11 H LYS 11 0.888 -3.459 11.441
118 HA LYS 11 HA LYS 11 -1.495 -2.130 12.246
119 HB2 LYS 11 HB2 LYS 11 0.390 -3.921 13.800
120 HB3 LYS 11 HB3 LYS 11 -1.202 -3.424 14.369
121 HG2 LYS 11 HG2 LYS 11 -2.209 -4.425 12.317
122 HG3 LYS 11 HG3 LYS 11 -0.610 -5.009 11.855
123 HD2 LYS 11 HD2 LYS 11 -0.484 -6.259 14.012
124 HD3 LYS 11 HD3 LYS 11 -2.134 -5.748 14.369
125 HE2 LYS 11 HE2 LYS 11 -1.320 -7.320 11.908
126 HE3 LYS 11 HE3 LYS 11 -2.032 -8.029 13.356
127 HZ1 LYS 11 HZ1 LYS 11 -3.828 -7.666 11.949
128 HZ2 LYS 11 HZ2 LYS 11 -3.255 -6.152 11.431
129 HZ3 LYS 11 HZ3 LYS 11 -3.881 -6.336 13.001
130 H THR 12 H THR 12 1.879 -1.674 13.145
131 HA THR 12 HA THR 12 1.204 0.205 15.288
132 HB THR 12 HB THR 12 3.631 0.514 15.479
133 HG1 THR 12 HG1 THR 12 3.968 0.372 13.165
134 HG21 THR 12 HG21 THR 12 4.126 -2.157 15.401
135 HG22 THR 12 HG22 THR 12 2.361 -2.157 15.388
136 HG23 THR 12 HG23 THR 12 3.234 -1.367 16.701
137 H ARG 13 H ARG 13 1.451 0.409 11.885
138 HA ARG 13 HA ARG 13 1.299 3.348 12.088
139 HB2 ARG 13 HB2 ARG 13 3.481 1.913 10.560
140 HB3 ARG 13 HB3 ARG 13 3.088 3.613 10.331
141 HG2 ARG 13 HG2 ARG 13 3.471 3.945 12.808
142 HG3 ARG 13 HG3 ARG 13 4.072 2.288 12.871
143 HD2 ARG 13 HD2 ARG 13 5.738 2.898 11.085
144 HD3 ARG 13 HD3 ARG 13 5.220 4.575 11.252
145 HE ARG 13 HE ARG 13 6.475 4.691 13.243
146 HH11 ARG 13 HH21 ARG 13 5.763 1.438 12.353
147 HH12 ARG 13 HH22 ARG 13 6.730 0.741 13.610
148 HH21 ARG 13 HH11 ARG 13 7.740 3.802 14.889
149 HH22 ARG 13 HH12 ARG 13 7.849 2.080 15.047
150 H CYS 14 H CYS 14 -0.818 1.763 11.284
151 HA CYS 14 HA CYS 14 -1.232 2.759 8.582
152 HB2 CYS 14 HB2 CYS 14 0.100 0.408 8.609
153 HB3 CYS 14 HB3 CYS 14 -1.551 -0.187 8.665
154 H LEU 15 H LEU 15 -2.331 1.289 11.480
155 HA LEU 15 HA LEU 15 -4.980 0.554 10.678
156 HB2 LEU 15 HB2 LEU 15 -4.118 1.542 13.406
157 HB3 LEU 15 HB3 LEU 15 -5.502 0.512 13.038
158 HG LEU 15 HG LEU 15 -2.580 -0.184 12.693
159 HD11 LEU 15 HD11 LEU 15 -3.401 -0.349 15.001
160 HD12 LEU 15 HD12 LEU 15 -3.132 -1.961 14.337
161 HD13 LEU 15 HD13 LEU 15 -4.770 -1.319 14.457
162 HD21 LEU 15 HD21 LEU 15 -3.549 -1.283 10.885
163 HD22 LEU 15 HD22 LEU 15 -5.102 -1.472 11.702
164 HD23 LEU 15 HD23 LEU 15 -3.738 -2.489 12.158
165 H GLN 16 H GLN 16 -3.558 3.620 11.610
166 HA GLN 16 HA GLN 16 -5.933 5.061 12.176
167 HB2 GLN 16 HB2 GLN 16 -4.616 7.062 11.760
168 HB3 GLN 16 HB3 GLN 16 -3.614 5.877 12.600
169 HG2 GLN 16 HG2 GLN 16 -2.754 5.128 10.350
170 HG3 GLN 16 HG3 GLN 16 -3.607 6.497 9.634
171 HE21 GLN 16 HE21 GLN 16 -1.848 7.872 9.093
172 HE22 GLN 16 HE22 GLN 16 -0.721 8.448 10.222
173 H CYS 17 H CYS 17 -5.482 3.453 9.363
174 HA CYS 17 HA CYS 17 -7.333 5.264 7.969
175 HB2 CYS 17 HB2 CYS 17 -4.550 4.701 6.935
176 HB3 CYS 17 HB3 CYS 17 -5.854 5.294 5.906
177 H HIS 18 H HIS 18 -5.230 2.960 6.332
178 HA HIS 18 HA HIS 18 -7.310 1.611 5.016
179 HB2 HIS 18 HB2 HIS 18 -4.592 0.550 5.829
180 HB3 HIS 18 HB3 HIS 18 -5.678 -0.264 4.703
181 HD1 HIS 18 HD1 HIS 18 -6.094 0.885 2.390
182 HD2 HIS 18 HD2 HIS 18 -3.312 2.852 4.794
183 HE1 HIS 18 HE1 HIS 18 -4.925 2.576 0.902
184 H THR 19 H THR 19 -5.921 0.883 8.201
185 HA THR 19 HA THR 19 -6.589 -0.745 9.783
186 HB THR 19 HB THR 19 -9.365 -0.143 8.756
187 HG1 THR 19 HG1 THR 19 -7.968 1.418 10.640
188 HG21 THR 19 HG21 THR 19 -10.079 -0.814 10.834
189 HG22 THR 19 HG22 THR 19 -8.610 -0.255 11.635
190 HG23 THR 19 HG23 THR 19 -8.603 -1.778 10.745
191 H VAL 20 H VAL 20 -5.609 -2.327 8.101
192 HA VAL 20 HA VAL 20 -7.406 -3.896 6.478
193 HB VAL 20 HB VAL 20 -4.607 -4.392 7.496
194 HG11 VAL 20 HG11 VAL 20 -6.517 -6.183 6.161
195 HG12 VAL 20 HG12 VAL 20 -5.016 -6.569 7.003
196 HG13 VAL 20 HG13 VAL 20 -4.973 -6.039 5.322
197 HG21 VAL 20 HG21 VAL 20 -5.471 -3.943 4.652
198 HG22 VAL 20 HG22 VAL 20 -3.896 -3.646 5.389
199 HG23 VAL 20 HG23 VAL 20 -5.250 -2.569 5.735
200 H GLU 21 H GLU 21 -8.779 -3.844 8.732
201 HA GLU 21 HA GLU 21 -8.100 -6.064 10.520
202 HB2 GLU 21 HB2 GLU 21 -9.376 -3.897 11.137
203 HB3 GLU 21 HB3 GLU 21 -10.770 -4.655 10.369
204 HG2 GLU 21 HG2 GLU 21 -10.505 -6.614 11.890
205 HG3 GLU 21 HG3 GLU 21 -9.177 -5.779 12.692
206 H LYS 22 H LYS 22 -8.665 -6.398 7.535
207 HA LYS 22 HA LYS 22 -9.647 -8.036 6.186
208 HB2 LYS 22 HB2 LYS 22 -10.529 -9.352 8.759
209 HB3 LYS 22 HB3 LYS 22 -10.308 -10.108 7.184
210 HG2 LYS 22 HG2 LYS 22 -8.115 -8.835 8.844
211 HG3 LYS 22 HG3 LYS 22 -8.385 -10.561 8.639
212 HD2 LYS 22 HD2 LYS 22 -8.158 -10.146 6.118
213 HD3 LYS 22 HD3 LYS 22 -7.511 -8.564 6.556
214 HE2 LYS 22 HE2 LYS 22 -5.517 -9.623 6.662
215 HE3 LYS 22 HE3 LYS 22 -6.094 -10.215 8.220
216 HZ1 LYS 22 HZ1 LYS 22 -5.276 -11.948 6.612
217 HZ2 LYS 22 HZ2 LYS 22 -6.652 -11.617 5.671
218 HZ3 LYS 22 HZ3 LYS 22 -6.824 -12.213 7.252
219 H GLY 23 H GLY 23 -11.110 -5.982 5.983
220 HA2 GLY 23 HA2 GLY 23 -13.412 -5.781 5.172
221 HA3 GLY 23 HA3 GLY 23 -13.910 -6.909 6.434
222 H GLY 24 H GLY 24 -11.651 -4.742 7.673
223 HA2 GLY 24 HA2 GLY 24 -13.581 -3.498 9.403
224 HA3 GLY 24 HA3 GLY 24 -11.894 -3.011 9.249
225 HA PRO 25 HA PRO 25 -15.197 -0.013 7.230
226 HB2 PRO 25 HB2 PRO 25 -13.780 1.789 9.141
227 HB3 PRO 25 HB3 PRO 25 -15.492 1.751 8.686
228 HG2 PRO 25 HG2 PRO 25 -14.573 0.788 11.027
229 HG3 PRO 25 HG3 PRO 25 -15.997 0.137 10.202
230 HD2 PRO 25 HD2 PRO 25 -13.334 -1.087 10.552
231 HD3 PRO 25 HD3 PRO 25 -14.888 -1.851 10.155
232 H HIS 26 H HIS 26 -14.481 1.036 5.405
233 HA HIS 26 HA HIS 26 -11.759 0.973 4.603
234 HB2 HIS 26 HB2 HIS 26 -14.109 2.598 3.617
235 HB3 HIS 26 HB3 HIS 26 -12.521 2.667 2.855
236 HD1 HIS 26 HD1 HIS 26 -11.533 0.113 2.272
237 HD2 HIS 26 HD2 HIS 26 -15.668 0.580 2.552
238 HE1 HIS 26 HE1 HIS 26 -12.560 -1.868 1.074
239 HE2 HIS 26 HE2 HIS 26 -15.077 -1.597 1.241
240 H LYS 27 H LYS 27 -13.632 3.551 6.164
241 HA LYS 27 HA LYS 27 -12.923 5.572 7.114
242 HB2 LYS 27 HB2 LYS 27 -10.239 4.148 7.187
243 HB3 LYS 27 HB3 LYS 27 -10.650 5.612 8.076
244 HG2 LYS 27 HG2 LYS 27 -12.504 4.356 9.193
245 HG3 LYS 27 HG3 LYS 27 -11.934 2.891 8.394
246 HD2 LYS 27 HD2 LYS 27 -9.701 3.222 9.460
247 HD3 LYS 27 HD3 LYS 27 -10.359 4.604 10.335
248 HE2 LYS 27 HE2 LYS 27 -11.521 3.292 11.791
249 HE3 LYS 27 HE3 LYS 27 -11.961 2.128 10.543
250 HZ1 LYS 27 HZ1 LYS 27 -9.800 1.157 10.658
251 HZ2 LYS 27 HZ2 LYS 27 -10.418 1.242 12.239
252 HZ3 LYS 27 HZ3 LYS 27 -9.248 2.359 11.720
253 H VAL 28 H VAL 28 -10.173 6.678 6.711
254 HA VAL 28 HA VAL 28 -10.701 8.150 4.314
255 HB VAL 28 HB VAL 28 -8.178 7.842 5.957
256 HG11 VAL 28 HG11 VAL 28 -8.803 9.456 3.500
257 HG12 VAL 28 HG12 VAL 28 -7.325 8.586 3.913
258 HG13 VAL 28 HG13 VAL 28 -7.704 10.111 4.715
259 HG21 VAL 28 HG21 VAL 28 -10.466 9.003 6.720
260 HG22 VAL 28 HG22 VAL 28 -9.810 10.338 5.771
261 HG23 VAL 28 HG23 VAL 28 -8.898 9.693 7.135
262 H GLY 29 H GLY 29 -8.384 5.479 4.930
263 HA2 GLY 29 HA2 GLY 29 -7.811 5.457 2.009
264 HA3 GLY 29 HA3 GLY 29 -6.813 4.686 3.237
265 HA PRO 30 HA PRO 30 -10.223 1.865 1.183
266 HB2 PRO 30 HB2 PRO 30 -8.297 0.407 -0.288
267 HB3 PRO 30 HB3 PRO 30 -9.508 1.517 -0.939
268 HG2 PRO 30 HG2 PRO 30 -6.643 1.931 -0.478
269 HG3 PRO 30 HG3 PRO 30 -7.744 2.744 -1.599
270 HD2 PRO 30 HD2 PRO 30 -6.767 3.917 0.684
271 HD3 PRO 30 HD3 PRO 30 -8.305 4.374 -0.079
272 H ASN 31 H ASN 31 -10.477 -0.341 1.824
273 HA ASN 31 HA ASN 31 -9.268 -1.165 4.217
274 HB2 ASN 31 HB2 ASN 31 -11.332 -2.155 3.051
275 HB3 ASN 31 HB3 ASN 31 -10.200 -3.113 2.098
276 HD21 ASN 31 HD21 ASN 31 -11.288 -5.003 3.273
277 HD22 ASN 31 HD22 ASN 31 -10.712 -5.419 4.814
278 H LEU 32 H LEU 32 -8.072 -1.288 0.980
279 HA LEU 32 HA LEU 32 -5.999 -1.923 0.131
280 HB2 LEU 32 HB2 LEU 32 -5.279 -0.812 2.370
281 HB3 LEU 32 HB3 LEU 32 -5.085 -2.456 2.961
282 HG LEU 32 HG LEU 32 -3.485 -2.941 1.154
283 HD11 LEU 32 HD11 LEU 32 -2.709 -0.593 0.053
284 HD12 LEU 32 HD12 LEU 32 -4.432 -0.273 0.244
285 HD13 LEU 32 HD13 LEU 32 -3.890 -1.660 -0.702
286 HD21 LEU 32 HD21 LEU 32 -2.996 -0.469 2.824
287 HD22 LEU 32 HD22 LEU 32 -1.736 -1.188 1.823
288 HD23 LEU 32 HD23 LEU 32 -2.455 -2.117 3.143
289 H HIS 33 H HIS 33 -7.959 -3.796 0.114
290 HA HIS 33 HA HIS 33 -6.446 -6.311 0.664
291 HB2 HIS 33 HB2 HIS 33 -8.919 -5.474 1.823
292 HB3 HIS 33 HB3 HIS 33 -9.261 -6.812 0.726
293 HD1 HIS 33 HD1 HIS 33 -6.670 -5.998 3.420
294 HD2 HIS 33 HD2 HIS 33 -8.789 -9.249 1.898
295 HE1 HIS 33 HE1 HIS 33 -6.027 -7.997 4.839
296 HE2 HIS 33 HE2 HIS 33 -7.323 -9.981 3.930
297 H GLY 34 H GLY 34 -7.977 -4.328 -1.586
298 HA2 GLY 34 HA2 GLY 34 -8.185 -6.614 -3.509
299 HA3 GLY 34 HA3 GLY 34 -9.396 -5.336 -3.477
300 H ILE 35 H ILE 35 -6.362 -4.007 -2.827
301 HA ILE 35 HA ILE 35 -6.313 -2.493 -5.242
302 HB ILE 35 HB ILE 35 -4.119 -3.103 -3.232
303 HG12 ILE 35 HG12 ILE 35 -6.211 -0.986 -3.582
304 HG13 ILE 35 HG13 ILE 35 -5.658 -1.777 -2.112
305 HG21 ILE 35 HG21 ILE 35 -3.246 -2.438 -5.540
306 HG22 ILE 35 HG22 ILE 35 -2.772 -1.387 -4.220
307 HG23 ILE 35 HG23 ILE 35 -4.070 -0.900 -5.310
308 HD11 ILE 35 HD11 ILE 35 -3.401 -0.543 -2.594
309 HD12 ILE 35 HD12 ILE 35 -4.743 0.378 -1.915
310 HD13 ILE 35 HD13 ILE 35 -4.384 0.483 -3.638
311 H PHE 36 H PHE 36 -5.000 -5.653 -4.468
312 HA PHE 36 HA PHE 36 -3.596 -5.714 -7.097
313 HB2 PHE 36 HB2 PHE 36 -3.603 -7.756 -4.855
314 HB3 PHE 36 HB3 PHE 36 -2.581 -7.794 -6.289
315 HD1 PHE 36 HD2 PHE 36 -0.796 -6.094 -6.609
316 HD2 PHE 36 HD1 PHE 36 -3.131 -6.287 -3.010
317 HE1 PHE 36 HE2 PHE 36 0.878 -4.681 -5.445
318 HE2 PHE 36 HE1 PHE 36 -1.458 -4.877 -1.847
319 HZ PHE 36 HZ PHE 36 0.547 -4.076 -3.063
320 H GLY 37 H GLY 37 -4.466 -6.857 -8.802
321 HA2 GLY 37 HA2 GLY 37 -5.646 -9.132 -9.238
322 HA3 GLY 37 HA3 GLY 37 -6.927 -8.453 -8.238
323 H ARG 38 H ARG 38 -7.205 -5.898 -9.138
324 HA ARG 38 HA ARG 38 -7.839 -6.266 -12.035
325 HB2 ARG 38 HB2 ARG 38 -9.310 -4.713 -9.897
326 HB3 ARG 38 HB3 ARG 38 -9.704 -4.639 -11.614
327 HG2 ARG 38 HG2 ARG 38 -9.592 -7.258 -10.107
328 HG3 ARG 38 HG3 ARG 38 -11.064 -6.291 -10.190
329 HD2 ARG 38 HD2 ARG 38 -10.753 -6.318 -12.737
330 HD3 ARG 38 HD3 ARG 38 -9.558 -7.584 -12.475
331 HE ARG 38 HE ARG 38 -12.055 -8.182 -11.132
332 HH11 ARG 38 HH21 ARG 38 -10.359 -8.159 -14.135
333 HH12 ARG 38 HH22 ARG 38 -11.287 -9.450 -14.821
334 HH21 ARG 38 HH11 ARG 38 -13.277 -9.869 -12.013
335 HH22 ARG 38 HH12 ARG 38 -12.939 -10.419 -13.620
336 H HIS 39 H HIS 39 -8.347 -3.887 -12.954
337 HA HIS 39 HA HIS 39 -5.915 -2.604 -13.394
338 HB2 HIS 39 HB2 HIS 39 -8.630 -1.250 -13.293
339 HB3 HIS 39 HB3 HIS 39 -7.211 -0.683 -14.172
340 HD1 HIS 39 HD1 HIS 39 -9.709 -1.239 -15.807
341 HD2 HIS 39 HD2 HIS 39 -6.838 -4.159 -15.027
342 HE1 HIS 39 HE1 HIS 39 -9.966 -2.998 -17.613
343 HE2 HIS 39 HE2 HIS 39 -8.223 -4.781 -17.149
344 H SER 40 H SER 40 -5.708 -0.090 -12.744
345 HA SER 40 HA SER 40 -4.897 -0.007 -10.047
346 HB2 SER 40 HB2 SER 40 -5.657 2.619 -10.787
347 HB3 SER 40 HB3 SER 40 -4.042 1.921 -10.830
348 HG SER 40 HG SER 40 -5.989 2.101 -12.858
349 H GLY 41 H GLY 41 -5.952 0.687 -8.144
350 HA2 GLY 41 HA2 GLY 41 -7.765 1.438 -6.812
351 HA3 GLY 41 HA3 GLY 41 -8.681 1.747 -8.284
352 H GLN 42 H GLN 42 -10.549 0.637 -7.767
353 HA GLN 42 HA GLN 42 -11.973 -1.210 -7.707
354 HB2 GLN 42 HB2 GLN 42 -9.591 -3.020 -7.945
355 HB3 GLN 42 HB3 GLN 42 -11.229 -3.283 -8.529
356 HG2 GLN 42 HG2 GLN 42 -9.034 -1.621 -9.709
357 HG3 GLN 42 HG3 GLN 42 -10.176 -2.698 -10.509
358 HE21 GLN 42 HE21 GLN 42 -9.485 0.546 -10.011
359 HE22 GLN 42 HE22 GLN 42 -11.016 1.197 -10.347
360 H ALA 43 H ALA 43 -12.155 -0.526 -5.410
361 HA ALA 43 HA ALA 43 -10.836 -2.425 -3.530
362 HB1 ALA 43 HB1 ALA 43 -10.936 0.304 -3.360
363 HB2 ALA 43 HB2 ALA 43 -10.775 -0.762 -1.965
364 HB3 ALA 43 HB3 ALA 43 -12.360 -0.144 -2.422
365 H GLU 44 H GLU 44 -12.274 -3.248 -1.754
366 HA GLU 44 HA GLU 44 -14.617 -4.467 -2.769
367 HB2 GLU 44 HB2 GLU 44 -13.860 -3.865 0.105
368 HB3 GLU 44 HB3 GLU 44 -15.150 -4.966 -0.383
369 HG2 GLU 44 HG2 GLU 44 -13.492 -6.313 -1.653
370 HG3 GLU 44 HG3 GLU 44 -12.212 -5.241 -1.081
371 H GLY 45 H GLY 45 -14.223 -1.409 -1.014
372 HA2 GLY 45 HA2 GLY 45 -16.978 -0.683 -1.854
373 HA3 GLY 45 HA3 GLY 45 -16.588 -0.564 -0.137
374 H TYR 46 H TYR 46 -13.884 0.292 -0.461
375 HA TYR 46 HA TYR 46 -14.232 3.118 -0.660
376 HB2 TYR 46 HB2 TYR 46 -12.409 2.214 0.632
377 HB3 TYR 46 HB3 TYR 46 -11.760 1.377 -0.777
378 HD1 TYR 46 HD2 TYR 46 -10.708 2.630 -2.616
379 HD2 TYR 46 HD1 TYR 46 -12.072 4.600 0.951
380 HE1 TYR 46 HE2 TYR 46 -9.382 4.631 -3.219
381 HE2 TYR 46 HE1 TYR 46 -10.744 6.605 0.350
382 HH TYR 46 HH TYR 46 -8.675 7.084 -1.060
383 H SER 47 H SER 47 -13.700 4.569 -2.325
384 HA SER 47 HA SER 47 -13.244 3.327 -5.012
385 HB2 SER 47 HB2 SER 47 -14.495 5.196 -5.963
386 HB3 SER 47 HB3 SER 47 -15.476 4.411 -4.730
387 HG SER 47 HG SER 47 -15.285 6.120 -3.481
388 H TYR 48 H TYR 48 -11.778 4.446 -6.416
389 HA TYR 48 HA TYR 48 -9.879 6.222 -4.949
390 HB2 TYR 48 HB2 TYR 48 -9.417 4.833 -7.600
391 HB3 TYR 48 HB3 TYR 48 -8.207 5.536 -6.526
392 HD1 TYR 48 HD1 TYR 48 -10.803 2.879 -6.731
393 HD2 TYR 48 HD2 TYR 48 -7.224 4.230 -4.801
394 HE1 TYR 48 HE1 TYR 48 -10.614 0.719 -5.555
395 HE2 TYR 48 HE2 TYR 48 -7.028 2.058 -3.630
396 HH TYR 48 HH TYR 48 -8.821 0.193 -2.920
397 H THR 49 H THR 49 -8.906 7.999 -6.308
398 HA THR 49 HA THR 49 -10.970 9.625 -7.459
399 HB THR 49 HB THR 49 -9.375 11.252 -7.486
400 HG1 THR 49 HG1 THR 49 -7.893 11.095 -8.950
401 HG21 THR 49 HG21 THR 49 -7.673 10.931 -5.901
402 HG22 THR 49 HG22 THR 49 -7.438 9.244 -6.360
403 HG23 THR 49 HG23 THR 49 -8.871 9.719 -5.445
404 H ASP 50 H ASP 50 -11.057 10.341 -9.740
405 HA ASP 50 HA ASP 50 -11.178 8.205 -11.585
406 HB2 ASP 50 HB2 ASP 50 -10.835 11.180 -12.069
407 HB3 ASP 50 HB3 ASP 50 -11.199 10.012 -13.340
408 H ALA 51 H ALA 51 -8.529 10.375 -10.757
409 HA ALA 51 HA ALA 51 -6.764 9.922 -12.877
410 HB1 ALA 51 HB1 ALA 51 -4.938 10.290 -11.216
411 HB2 ALA 51 HB2 ALA 51 -6.126 10.137 -9.923
412 HB3 ALA 51 HB3 ALA 51 -6.237 11.474 -11.066
413 H ASN 52 H ASN 52 -6.929 7.974 -9.866
414 HA ASN 52 HA ASN 52 -5.063 5.995 -10.693
415 HB2 ASN 52 HB2 ASN 52 -6.052 6.310 -8.376
416 HB3 ASN 52 HB3 ASN 52 -7.491 5.475 -8.962
417 HD21 ASN 52 HD21 ASN 52 -7.254 3.494 -7.803
418 HD22 ASN 52 HD22 ASN 52 -5.931 2.452 -8.003
419 H ILE 53 H ILE 53 -8.587 6.151 -11.166
420 HA ILE 53 HA ILE 53 -8.787 3.580 -12.449
421 HB ILE 53 HB ILE 53 -10.625 5.980 -12.647
422 HG12 ILE 53 HG12 ILE 53 -10.743 3.553 -10.828
423 HG13 ILE 53 HG13 ILE 53 -10.186 5.148 -10.323
424 HG21 ILE 53 HG21 ILE 53 -10.635 3.368 -13.899
425 HG22 ILE 53 HG22 ILE 53 -11.749 4.714 -14.134
426 HG23 ILE 53 HG23 ILE 53 -12.034 3.550 -12.841
427 HD11 ILE 53 HD11 ILE 53 -12.299 5.910 -10.109
428 HD12 ILE 53 HD12 ILE 53 -12.828 4.238 -10.294
429 HD13 ILE 53 HD13 ILE 53 -12.747 5.299 -11.701
430 H LYS 54 H LYS 54 -8.557 6.896 -13.797
431 HA LYS 54 HA LYS 54 -8.876 6.180 -16.512
432 HB2 LYS 54 HB2 LYS 54 -7.315 8.428 -15.231
433 HB3 LYS 54 HB3 LYS 54 -7.562 8.290 -16.970
434 HG2 LYS 54 HG2 LYS 54 -10.023 8.251 -16.587
435 HG3 LYS 54 HG3 LYS 54 -9.734 8.504 -14.867
436 HD2 LYS 54 HD2 LYS 54 -8.521 10.614 -15.416
437 HD3 LYS 54 HD3 LYS 54 -8.939 10.377 -17.114
438 HE2 LYS 54 HE2 LYS 54 -10.918 11.376 -16.742
439 HE3 LYS 54 HE3 LYS 54 -11.339 10.080 -15.623
440 HZ1 LYS 54 HZ1 LYS 54 -10.042 11.331 -13.912
441 HZ2 LYS 54 HZ2 LYS 54 -11.467 12.098 -14.430
442 HZ3 LYS 54 HZ3 LYS 54 -9.957 12.627 -15.002
443 H LYS 55 H LYS 55 -5.924 6.207 -14.534
444 HA LYS 55 HA LYS 55 -4.091 5.727 -16.659
445 HB2 LYS 55 HB2 LYS 55 -3.941 4.779 -13.782
446 HB3 LYS 55 HB3 LYS 55 -2.588 4.831 -14.909
447 HG2 LYS 55 HG2 LYS 55 -4.218 7.270 -14.165
448 HG3 LYS 55 HG3 LYS 55 -2.732 6.814 -13.338
449 HD2 LYS 55 HD2 LYS 55 -1.652 6.797 -15.682
450 HD3 LYS 55 HD3 LYS 55 -3.090 7.668 -16.213
451 HE2 LYS 55 HE2 LYS 55 -2.669 9.369 -14.435
452 HE3 LYS 55 HE3 LYS 55 -1.164 8.538 -14.045
453 HZ1 LYS 55 HZ1 LYS 55 -0.303 8.991 -16.178
454 HZ2 LYS 55 HZ2 LYS 55 -0.962 10.454 -15.622
455 HZ3 LYS 55 HZ3 LYS 55 -1.803 9.521 -16.766
456 H ASN 56 H ASN 56 -6.202 3.543 -14.872
457 HA ASN 56 HA ASN 56 -6.674 1.272 -15.217
458 HB2 ASN 56 HB2 ASN 56 -6.994 2.437 -17.587
459 HB3 ASN 56 HB3 ASN 56 -5.585 1.460 -17.999
460 HD21 ASN 56 HD21 ASN 56 -6.374 -0.730 -16.072
461 HD22 ASN 56 HD22 ASN 56 -7.677 -1.524 -16.813
462 H VAL 57 H VAL 57 -4.260 1.691 -13.973
463 HA VAL 57 HA VAL 57 -2.369 -0.158 -15.345
464 HB VAL 57 HB VAL 57 -1.454 2.071 -14.751
465 HG11 VAL 57 HG11 VAL 57 -2.916 2.484 -12.794
466 HG12 VAL 57 HG12 VAL 57 -1.213 2.677 -12.378
467 HG13 VAL 57 HG13 VAL 57 -2.074 1.214 -11.906
468 HG21 VAL 57 HG21 VAL 57 0.111 0.722 -12.801
469 HG22 VAL 57 HG22 VAL 57 0.469 0.923 -14.517
470 HG23 VAL 57 HG23 VAL 57 -0.418 -0.497 -13.962
471 H LEU 58 H LEU 58 -1.716 -2.030 -14.274
472 HA LEU 58 HA LEU 58 -3.465 -2.905 -12.089
473 HB2 LEU 58 HB2 LEU 58 -2.910 -4.472 -13.892
474 HB3 LEU 58 HB3 LEU 58 -1.194 -4.312 -13.525
475 HG LEU 58 HG LEU 58 -1.562 -5.247 -11.285
476 HD11 LEU 58 HD11 LEU 58 -3.701 -4.634 -10.609
477 HD12 LEU 58 HD12 LEU 58 -3.959 -6.325 -11.037
478 HD13 LEU 58 HD13 LEU 58 -4.423 -5.049 -12.162
479 HD21 LEU 58 HD21 LEU 58 -2.298 -6.684 -13.768
480 HD22 LEU 58 HD22 LEU 58 -2.773 -7.482 -12.269
481 HD23 LEU 58 HD23 LEU 58 -1.080 -7.082 -12.557
482 H TRP 59 H TRP 59 -2.923 -2.883 -9.970
483 HA TRP 59 HA TRP 59 -0.379 -1.733 -9.140
484 HB2 TRP 59 HB2 TRP 59 -2.831 -2.766 -7.741
485 HB3 TRP 59 HB3 TRP 59 -1.366 -2.450 -6.815
486 HD1 TRP 59 HD1 TRP 59 -4.376 -0.776 -7.996
487 HE1 TRP 59 HE1 TRP 59 -4.134 1.803 -7.877
488 HE3 TRP 59 HE3 TRP 59 0.654 -0.422 -7.273
489 HZ2 TRP 59 HZ2 TRP 59 -2.058 3.736 -7.501
490 HZ3 TRP 59 HZ3 TRP 59 1.740 1.787 -7.029
491 HH2 TRP 59 HH2 TRP 59 0.394 3.863 -7.139
492 H ASP 60 H ASP 60 1.446 -2.869 -8.637
493 HA ASP 60 HA ASP 60 1.205 -5.745 -7.919
494 HB2 ASP 60 HB2 ASP 60 3.001 -4.630 -10.097
495 HB3 ASP 60 HB3 ASP 60 3.105 -6.271 -9.459
496 H GLU 61 H GLU 61 3.492 -6.537 -7.188
497 HA GLU 61 HA GLU 61 4.373 -4.890 -5.043
498 HB2 GLU 61 HB2 GLU 61 5.822 -7.138 -6.474
499 HB3 GLU 61 HB3 GLU 61 6.320 -6.444 -4.931
500 HG2 GLU 61 HG2 GLU 61 4.123 -7.070 -3.960
501 HG3 GLU 61 HG3 GLU 61 3.677 -7.819 -5.494
502 H ASN 62 H ASN 62 5.624 -5.298 -8.340
503 HA ASN 62 HA ASN 62 7.961 -3.673 -7.991
504 HB2 ASN 62 HB2 ASN 62 6.305 -4.255 -10.463
505 HB3 ASN 62 HB3 ASN 62 7.875 -3.453 -10.485
506 HD21 ASN 62 HD21 ASN 62 7.500 -5.956 -11.813
507 HD22 ASN 62 HD22 ASN 62 8.391 -7.143 -10.989
508 H ASN 63 H ASN 63 4.667 -2.921 -9.085
509 HA ASN 63 HA ASN 63 5.118 -0.148 -9.619
510 HB2 ASN 63 HB2 ASN 63 2.584 -1.545 -8.705
511 HB3 ASN 63 HB3 ASN 63 2.659 0.072 -9.404
512 HD21 ASN 63 HD21 ASN 63 1.232 -2.222 -10.588
513 HD22 ASN 63 HD22 ASN 63 1.965 -2.526 -12.089
514 H MET 64 H MET 64 4.215 -1.900 -6.679
515 HA MET 64 HA MET 64 3.665 0.370 -5.045
516 HB2 MET 64 HB2 MET 64 4.650 -2.411 -4.382
517 HB3 MET 64 HB3 MET 64 4.234 -1.222 -3.147
518 HG2 MET 64 HG2 MET 64 2.353 -2.128 -5.343
519 HG3 MET 64 HG3 MET 64 2.343 -2.770 -3.701
520 HE1 MET 64 HE1 MET 64 -0.477 -1.769 -3.533
521 HE2 MET 64 HE2 MET 64 0.098 -1.777 -5.197
522 HE3 MET 64 HE3 MET 64 -0.710 -0.347 -4.559
523 H SER 65 H SER 65 6.717 -1.303 -5.780
524 HA SER 65 HA SER 65 8.330 0.034 -3.853
525 HB2 SER 65 HB2 SER 65 9.046 -1.918 -5.283
526 HB3 SER 65 HB3 SER 65 9.191 -0.801 -6.636
527 HG SER 65 HG SER 65 10.969 -1.312 -4.771
528 H GLU 66 H GLU 66 7.533 0.907 -7.207
529 HA GLU 66 HA GLU 66 9.030 3.371 -7.176
530 HB2 GLU 66 HB2 GLU 66 6.738 2.429 -8.923
531 HB3 GLU 66 HB3 GLU 66 7.684 3.885 -9.222
532 HG2 GLU 66 HG2 GLU 66 8.828 1.084 -9.039
533 HG3 GLU 66 HG3 GLU 66 8.516 1.951 -10.543
534 H TYR 67 H TYR 67 5.785 2.456 -6.222
535 HA TYR 67 HA TYR 67 4.543 4.990 -6.211
536 HB2 TYR 67 HB2 TYR 67 3.269 2.964 -5.838
537 HB3 TYR 67 HB3 TYR 67 4.169 2.617 -4.367
538 HD1 TYR 67 HD1 TYR 67 2.480 5.703 -5.724
539 HD2 TYR 67 HD2 TYR 67 2.857 2.907 -2.488
540 HE1 TYR 67 HE1 TYR 67 0.855 7.019 -4.396
541 HE2 TYR 67 HE2 TYR 67 1.229 4.223 -1.164
542 HH TYR 67 HH TYR 67 0.521 6.950 -1.307
543 H LEU 68 H LEU 68 6.447 3.435 -3.604
544 HA LEU 68 HA LEU 68 6.154 5.737 -1.857
545 HB2 LEU 68 HB2 LEU 68 7.717 3.188 -1.799
546 HB3 LEU 68 HB3 LEU 68 8.188 4.495 -0.712
547 HG LEU 68 HG LEU 68 5.997 4.569 0.277
548 HD11 LEU 68 HD11 LEU 68 4.328 2.740 -0.577
549 HD12 LEU 68 HD12 LEU 68 5.286 2.812 -2.056
550 HD13 LEU 68 HD13 LEU 68 4.467 4.259 -1.462
551 HD21 LEU 68 HD21 LEU 68 7.399 2.823 1.201
552 HD22 LEU 68 HD22 LEU 68 6.963 1.722 -0.107
553 HD23 LEU 68 HD23 LEU 68 5.754 2.196 1.086
554 H THR 69 H THR 69 8.758 4.541 -3.968
555 HA THR 69 HA THR 69 10.588 6.668 -3.277
556 HB THR 69 HB THR 69 11.889 5.916 -5.191
557 HG1 THR 69 HG1 THR 69 10.354 3.972 -6.128
558 HG21 THR 69 HG21 THR 69 12.005 3.481 -4.686
559 HG22 THR 69 HG22 THR 69 10.503 3.624 -3.773
560 HG23 THR 69 HG23 THR 69 11.951 4.469 -3.225
561 H ASN 70 H ASN 70 8.262 6.201 -5.922
562 HA ASN 70 HA ASN 70 8.276 9.146 -6.343
563 HB2 ASN 70 HB2 ASN 70 8.554 7.058 -8.530
564 HB3 ASN 70 HB3 ASN 70 8.242 8.771 -8.816
565 HD21 ASN 70 HD21 ASN 70 10.630 7.479 -9.778
566 HD22 ASN 70 HD22 ASN 70 11.957 8.138 -8.949
567 H HIS 71 H HIS 71 6.180 9.780 -6.107
568 HA HIS 71 HA HIS 71 4.049 7.972 -7.159
569 HB2 HIS 71 HB2 HIS 71 2.759 9.157 -5.103
570 HB3 HIS 71 HB3 HIS 71 3.599 7.615 -4.947
571 HD1 HIS 71 HD1 HIS 71 3.335 10.633 -3.189
572 HD2 HIS 71 HD2 HIS 71 6.612 8.337 -4.368
573 HE1 HIS 71 HE1 HIS 71 5.266 11.320 -1.700
574 HE2 HIS 71 HE2 HIS 71 7.265 9.928 -2.409
575 H ALA 72 H ALA 72 1.912 9.250 -7.312
576 HA ALA 72 HA ALA 72 0.703 11.089 -8.118
577 HB1 ALA 72 HB1 ALA 72 2.353 12.266 -6.368
578 HB2 ALA 72 HB2 ALA 72 1.342 13.209 -7.462
579 HB3 ALA 72 HB3 ALA 72 3.039 12.931 -7.850
580 H LYS 73 H LYS 73 3.918 10.369 -9.245
581 HA LYS 73 HA LYS 73 3.937 11.914 -11.638
582 HB2 LYS 73 HB2 LYS 73 5.115 9.149 -11.220
583 HB3 LYS 73 HB3 LYS 73 5.598 10.315 -12.450
584 HG2 LYS 73 HG2 LYS 73 5.788 10.802 -9.464
585 HG3 LYS 73 HG3 LYS 73 7.135 10.286 -10.475
586 HD2 LYS 73 HD2 LYS 73 6.610 12.361 -11.919
587 HD3 LYS 73 HD3 LYS 73 5.639 12.906 -10.551
588 HE2 LYS 73 HE2 LYS 73 7.575 12.777 -9.071
589 HE3 LYS 73 HE3 LYS 73 8.563 12.135 -10.383
590 HZ1 LYS 73 HZ1 LYS 73 7.609 14.853 -9.930
591 HZ2 LYS 73 HZ2 LYS 73 7.670 14.321 -11.543
592 HZ3 LYS 73 HZ3 LYS 73 9.076 14.314 -10.589
593 H TYR 74 H TYR 74 2.442 8.811 -10.862
594 HA TYR 74 HA TYR 74 1.013 8.959 -13.478
595 HB2 TYR 74 HB2 TYR 74 1.338 6.646 -13.896
596 HB3 TYR 74 HB3 TYR 74 2.923 7.247 -13.403
597 HD1 TYR 74 HD2 TYR 74 3.414 7.176 -10.830
598 HD2 TYR 74 HD1 TYR 74 0.431 4.799 -12.792
599 HE1 TYR 74 HE2 TYR 74 3.452 5.570 -8.935
600 HE2 TYR 74 HE1 TYR 74 0.458 3.195 -10.897
601 HH TYR 74 HH TYR 74 2.748 2.826 -8.839
602 H ILE 75 H ILE 75 0.502 9.366 -10.396
603 HA ILE 75 HA ILE 75 -2.112 7.924 -10.444
604 HB ILE 75 HB ILE 75 -1.541 7.894 -7.781
605 HG12 ILE 75 HG12 ILE 75 1.085 7.109 -8.995
606 HG13 ILE 75 HG13 ILE 75 0.793 8.797 -8.579
607 HG21 ILE 75 HG21 ILE 75 -2.252 5.856 -8.640
608 HG22 ILE 75 HG22 ILE 75 -0.543 5.502 -8.406
609 HG23 ILE 75 HG23 ILE 75 -1.139 5.928 -10.007
610 HD11 ILE 75 HD11 ILE 75 1.830 7.643 -6.685
611 HD12 ILE 75 HD12 ILE 75 0.544 6.436 -6.698
612 HD13 ILE 75 HD13 ILE 75 0.179 8.110 -6.280
613 HA PRO 76 HA PRO 76 -4.398 11.484 -9.279
614 HB2 PRO 76 HB2 PRO 76 -4.765 10.530 -6.517
615 HB3 PRO 76 HB3 PRO 76 -5.977 10.842 -7.766
616 HG2 PRO 76 HG2 PRO 76 -4.876 8.334 -6.954
617 HG3 PRO 76 HG3 PRO 76 -6.099 8.646 -8.192
618 HD2 PRO 76 HD2 PRO 76 -3.542 7.692 -8.692
619 HD3 PRO 76 HD3 PRO 76 -4.578 8.468 -9.896
620 H GLY 77 H GLY 77 -1.834 10.443 -7.093
621 HA2 GLY 77 HA2 GLY 77 -0.143 11.891 -6.213
622 HA3 GLY 77 HA3 GLY 77 -1.127 13.282 -6.667
623 H THR 78 H THR 78 -3.029 10.963 -5.204
624 HA THR 78 HA THR 78 -3.956 12.412 -3.060
625 HB THR 78 HB THR 78 -4.920 10.261 -3.531
626 HG1 THR 78 HG1 THR 78 -4.942 10.879 -1.331
627 HG21 THR 78 HG21 THR 78 -3.583 8.571 -4.174
628 HG22 THR 78 HG22 THR 78 -3.011 8.421 -2.512
629 HG23 THR 78 HG23 THR 78 -2.159 9.468 -3.647
630 H LYS 79 H LYS 79 -3.061 13.237 -1.219
631 HA LYS 79 HA LYS 79 -0.258 12.692 -0.604
632 HB2 LYS 79 HB2 LYS 79 -1.374 14.942 -0.298
633 HB3 LYS 79 HB3 LYS 79 -2.268 14.243 1.054
634 HG2 LYS 79 HG2 LYS 79 -0.117 13.655 2.148
635 HG3 LYS 79 HG3 LYS 79 0.750 14.425 0.818
636 HD2 LYS 79 HD2 LYS 79 -0.457 16.559 1.335
637 HD3 LYS 79 HD3 LYS 79 -1.161 15.771 2.747
638 HE2 LYS 79 HE2 LYS 79 0.682 16.605 3.805
639 HE3 LYS 79 HE3 LYS 79 1.467 15.183 3.121
640 HZ1 LYS 79 HZ1 LYS 79 1.955 17.900 2.565
641 HZ2 LYS 79 HZ2 LYS 79 1.437 17.130 1.142
642 HZ3 LYS 79 HZ3 LYS 79 2.784 16.536 1.993
643 H MET 80 H MET 80 0.481 11.217 0.872
644 HA MET 80 HA MET 80 -1.575 9.817 2.528
645 HB2 MET 80 HB2 MET 80 -0.258 8.513 0.753
646 HB3 MET 80 HB3 MET 80 1.154 8.744 1.781
647 HG2 MET 80 HG2 MET 80 0.414 7.262 3.358
648 HG3 MET 80 HG3 MET 80 -1.277 7.707 3.144
649 HE1 MET 80 HE1 MET 80 1.498 5.432 2.544
650 HE2 MET 80 HE2 MET 80 1.705 6.160 0.953
651 HE3 MET 80 HE3 MET 80 1.161 4.490 1.089
652 H ALA 81 H ALA 81 -1.174 9.539 4.734
653 HA ALA 81 HA ALA 81 0.617 11.469 5.959
654 HB1 ALA 81 HB1 ALA 81 -0.155 10.073 8.075
655 HB2 ALA 81 HB2 ALA 81 -1.340 9.427 6.941
656 HB3 ALA 81 HB3 ALA 81 -1.279 11.160 7.258
657 H PHE 82 H PHE 82 1.374 8.644 4.511
658 HA PHE 82 HA PHE 82 3.171 7.599 6.610
659 HB2 PHE 82 HB2 PHE 82 1.948 6.085 5.007
660 HB3 PHE 82 HB3 PHE 82 2.942 6.750 3.710
661 HD1 PHE 82 HD2 PHE 82 5.355 6.273 3.580
662 HD2 PHE 82 HD1 PHE 82 2.916 4.654 6.732
663 HE1 PHE 82 HE2 PHE 82 7.162 4.673 4.163
664 HE2 PHE 82 HE1 PHE 82 4.725 3.061 7.312
665 HZ PHE 82 HZ PHE 82 6.844 3.070 6.027
666 H GLY 83 H GLY 83 5.261 8.249 6.801
667 HA2 GLY 83 HA2 GLY 83 6.361 10.089 4.772
668 HA3 GLY 83 HA3 GLY 83 7.098 9.705 6.332
669 H GLY 84 H GLY 84 8.743 9.646 4.131
670 HA2 GLY 84 HA2 GLY 84 8.854 6.938 3.027
671 HA3 GLY 84 HA3 GLY 84 10.042 8.212 2.761
672 H LEU 85 H LEU 85 10.203 5.280 3.718
673 HA LEU 85 HA LEU 85 11.479 5.685 6.364
674 HB2 LEU 85 HB2 LEU 85 10.417 3.370 4.836
675 HB3 LEU 85 HB3 LEU 85 11.807 3.048 5.868
676 HG LEU 85 HG LEU 85 10.656 3.897 7.811
677 HD11 LEU 85 HD11 LEU 85 9.369 5.718 7.226
678 HD12 LEU 85 HD12 LEU 85 8.100 4.496 7.289
679 HD13 LEU 85 HD13 LEU 85 8.795 4.965 5.738
680 HD21 LEU 85 HD21 LEU 85 10.069 1.632 7.470
681 HD22 LEU 85 HD22 LEU 85 9.059 2.012 6.075
682 HD23 LEU 85 HD23 LEU 85 8.517 2.436 7.698
683 H LYS 86 H LYS 86 13.554 6.378 6.251
684 HA LYS 86 HA LYS 86 15.263 6.115 3.987
685 HB2 LYS 86 HB2 LYS 86 15.951 6.528 6.912
686 HB3 LYS 86 HB3 LYS 86 17.086 6.730 5.577
687 HG2 LYS 86 HG2 LYS 86 15.555 8.437 4.587
688 HG3 LYS 86 HG3 LYS 86 14.524 8.291 6.011
689 HD2 LYS 86 HD2 LYS 86 16.479 8.918 7.437
690 HD3 LYS 86 HD3 LYS 86 17.421 9.184 5.970
691 HE2 LYS 86 HE2 LYS 86 15.197 10.656 5.412
692 HE3 LYS 86 HE3 LYS 86 15.281 10.842 7.164
693 HZ1 LYS 86 HZ1 LYS 86 16.564 12.510 5.825
694 HZ2 LYS 86 HZ2 LYS 86 17.620 11.251 5.392
695 HZ3 LYS 86 HZ3 LYS 86 17.452 11.701 7.022
696 H LYS 87 H LYS 87 14.754 4.036 6.798
697 HA LYS 87 HA LYS 87 17.020 2.347 6.483
698 HB2 LYS 87 HB2 LYS 87 14.234 1.685 7.484
699 HB3 LYS 87 HB3 LYS 87 15.643 0.640 7.678
700 HG2 LYS 87 HG2 LYS 87 16.799 2.495 8.888
701 HG3 LYS 87 HG3 LYS 87 15.317 3.447 8.781
702 HD2 LYS 87 HD2 LYS 87 14.107 1.620 9.984
703 HD3 LYS 87 HD3 LYS 87 15.645 0.778 10.182
704 HE2 LYS 87 HE2 LYS 87 14.687 3.303 11.473
705 HE3 LYS 87 HE3 LYS 87 15.565 1.947 12.181
706 HZ1 LYS 87 HZ1 LYS 87 16.725 3.860 10.230
707 HZ2 LYS 87 HZ2 LYS 87 17.550 2.632 11.065
708 HZ3 LYS 87 HZ3 LYS 87 16.927 3.968 11.910
709 H GLU 88 H GLU 88 13.878 2.357 4.885
710 HA GLU 88 HA GLU 88 13.101 1.249 2.989
711 HB2 GLU 88 HB2 GLU 88 16.066 0.818 2.511
712 HB3 GLU 88 HB3 GLU 88 14.796 0.498 1.334
713 HG2 GLU 88 HG2 GLU 88 14.090 2.870 1.468
714 HG3 GLU 88 HG3 GLU 88 15.406 3.183 2.597
715 H LYS 89 H LYS 89 15.380 -0.522 5.035
716 HA LYS 89 HA LYS 89 14.834 -3.132 4.023
717 HB2 LYS 89 HB2 LYS 89 16.670 -2.574 5.639
718 HB3 LYS 89 HB3 LYS 89 15.447 -2.370 6.893
719 HG2 LYS 89 HG2 LYS 89 14.699 -4.709 6.519
720 HG3 LYS 89 HG3 LYS 89 15.980 -4.908 5.322
721 HD2 LYS 89 HD2 LYS 89 17.652 -4.314 7.096
722 HD3 LYS 89 HD3 LYS 89 16.336 -4.306 8.272
723 HE2 LYS 89 HE2 LYS 89 16.492 -6.539 8.477
724 HE3 LYS 89 HE3 LYS 89 16.163 -6.726 6.754
725 HZ1 LYS 89 HZ1 LYS 89 18.250 -7.685 7.081
726 HZ2 LYS 89 HZ2 LYS 89 18.779 -6.433 8.101
727 HZ3 LYS 89 HZ3 LYS 89 18.595 -6.155 6.435
728 H ASP 90 H ASP 90 13.340 -1.307 6.696
729 HA ASP 90 HA ASP 90 11.346 -3.274 7.298
730 HB2 ASP 90 HB2 ASP 90 11.394 -0.271 7.719
731 HB3 ASP 90 HB3 ASP 90 10.170 -1.343 8.393
732 H ARG 91 H ARG 91 11.472 -0.541 5.063
733 HA ARG 91 HA ARG 91 8.759 -0.457 4.277
734 HB2 ARG 91 HB2 ARG 91 10.487 1.194 3.582
735 HB3 ARG 91 HB3 ARG 91 11.200 -0.027 2.528
736 HG2 ARG 91 HG2 ARG 91 9.017 -0.208 1.329
737 HG3 ARG 91 HG3 ARG 91 8.397 1.108 2.327
738 HD2 ARG 91 HD2 ARG 91 10.818 1.285 0.508
739 HD3 ARG 91 HD3 ARG 91 9.222 1.940 0.142
740 HE ARG 91 HE ARG 91 9.956 3.044 2.617
741 HH11 ARG 91 HH21 ARG 91 11.110 2.920 -0.629
742 HH12 ARG 91 HH22 ARG 91 11.866 4.477 -0.561
743 HH21 ARG 91 HH11 ARG 91 10.937 5.079 2.725
744 HH22 ARG 91 HH12 ARG 91 11.768 5.699 1.338
745 H ASN 92 H ASN 92 11.414 -2.507 3.096
746 HA ASN 92 HA ASN 92 9.981 -3.766 0.988
747 HB2 ASN 92 HB2 ASN 92 12.215 -4.821 2.744
748 HB3 ASN 92 HB3 ASN 92 11.660 -5.596 1.264
749 HD21 ASN 92 HD21 ASN 92 14.343 -4.626 1.503
750 HD22 ASN 92 HD22 ASN 92 14.536 -3.315 0.442
751 H ASP 93 H ASP 93 10.259 -4.575 4.437
752 HA ASP 93 HA ASP 93 8.843 -7.040 4.337
753 HB2 ASP 93 HB2 ASP 93 9.073 -4.976 6.542
754 HB3 ASP 93 HB3 ASP 93 8.374 -6.577 6.762
755 H LEU 94 H LEU 94 7.706 -3.696 4.632
756 HA LEU 94 HA LEU 94 4.974 -4.269 5.177
757 HB2 LEU 94 HB2 LEU 94 6.223 -1.957 3.665
758 HB3 LEU 94 HB3 LEU 94 4.559 -2.000 4.236
759 HG LEU 94 HG LEU 94 7.014 -2.236 5.998
760 HD11 LEU 94 HD11 LEU 94 6.507 0.037 4.931
761 HD12 LEU 94 HD12 LEU 94 6.574 0.006 6.693
762 HD13 LEU 94 HD13 LEU 94 5.015 0.030 5.870
763 HD21 LEU 94 HD21 LEU 94 5.028 -1.684 7.695
764 HD22 LEU 94 HD22 LEU 94 5.389 -3.345 7.223
765 HD23 LEU 94 HD23 LEU 94 4.064 -2.476 6.447
766 H ILE 95 H ILE 95 6.687 -3.888 2.069
767 HA ILE 95 HA ILE 95 4.450 -4.063 0.365
768 HB ILE 95 HB ILE 95 7.192 -5.257 -0.135
769 HG12 ILE 95 HG12 ILE 95 7.508 -2.972 0.592
770 HG13 ILE 95 HG13 ILE 95 7.653 -2.989 -1.165
771 HG21 ILE 95 HG21 ILE 95 5.712 -5.903 -1.871
772 HG22 ILE 95 HG22 ILE 95 6.560 -4.490 -2.501
773 HG23 ILE 95 HG23 ILE 95 4.916 -4.329 -1.882
774 HD11 ILE 95 HD11 ILE 95 5.098 -2.468 -1.142
775 HD12 ILE 95 HD12 ILE 95 6.227 -1.164 -0.783
776 HD13 ILE 95 HD13 ILE 95 5.377 -1.979 0.529
777 H THR 96 H THR 96 6.480 -6.674 1.687
778 HA THR 96 HA THR 96 5.105 -8.829 0.433
779 HB THR 96 HB THR 96 6.381 -8.913 3.179
780 HG1 THR 96 HG1 THR 96 8.129 -8.377 2.180
781 HG21 THR 96 HG21 THR 96 5.186 -10.861 1.487
782 HG22 THR 96 HG22 THR 96 6.054 -11.128 2.999
783 HG23 THR 96 HG23 THR 96 6.926 -11.146 1.466
784 H TYR 97 H TYR 97 4.531 -7.183 3.539
785 HA TYR 97 HA TYR 97 2.467 -8.904 4.471
786 HB2 TYR 97 HB2 TYR 97 3.569 -7.186 5.880
787 HB3 TYR 97 HB3 TYR 97 2.751 -5.925 4.955
788 HD1 TYR 97 HD2 TYR 97 2.256 -8.774 7.271
789 HD2 TYR 97 HD1 TYR 97 0.408 -5.459 5.261
790 HE1 TYR 97 HE2 TYR 97 0.240 -9.035 8.692
791 HE2 TYR 97 HE1 TYR 97 -1.607 -5.721 6.681
792 HH TYR 97 HH TYR 97 -2.667 -7.100 8.131
793 H LEU 98 H LEU 98 2.278 -5.993 2.401
794 HA LEU 98 HA LEU 98 -0.553 -5.853 2.289
795 HB2 LEU 98 HB2 LEU 98 1.463 -5.155 0.132
796 HB3 LEU 98 HB3 LEU 98 -0.218 -4.631 0.165
797 HG LEU 98 HG LEU 98 1.901 -3.960 2.223
798 HD11 LEU 98 HD11 LEU 98 0.647 -1.677 1.100
799 HD12 LEU 98 HD12 LEU 98 1.083 -2.732 -0.245
800 HD13 LEU 98 HD13 LEU 98 2.320 -2.196 0.891
801 HD21 LEU 98 HD21 LEU 98 -0.106 -2.357 2.890
802 HD22 LEU 98 HD22 LEU 98 -0.029 -4.002 3.518
803 HD23 LEU 98 HD23 LEU 98 -1.076 -3.630 2.148
804 H LYS 99 H LYS 99 1.739 -7.838 0.466
805 HA LYS 99 HA LYS 99 -0.069 -8.840 -1.481
806 HB2 LYS 99 HB2 LYS 99 2.389 -9.306 -1.472
807 HB3 LYS 99 HB3 LYS 99 2.153 -10.373 -0.087
808 HG2 LYS 99 HG2 LYS 99 0.624 -11.776 -1.418
809 HG3 LYS 99 HG3 LYS 99 0.844 -10.707 -2.803
810 HD2 LYS 99 HD2 LYS 99 2.319 -12.605 -3.086
811 HD3 LYS 99 HD3 LYS 99 3.309 -11.199 -2.702
812 HE2 LYS 99 HE2 LYS 99 3.761 -11.939 -0.535
813 HE3 LYS 99 HE3 LYS 99 2.327 -12.964 -0.479
814 HZ1 LYS 99 HZ1 LYS 99 3.453 -14.276 -2.317
815 HZ2 LYS 99 HZ2 LYS 99 4.101 -14.429 -0.753
816 HZ3 LYS 99 HZ3 LYS 99 4.872 -13.443 -1.903
817 H LYS 100 H LYS 100 0.567 -9.815 1.866
818 HA LYS 100 HA LYS 100 -1.106 -12.122 1.917
819 HB2 LYS 100 HB2 LYS 100 0.529 -11.503 3.705
820 HB3 LYS 100 HB3 LYS 100 -0.552 -10.197 4.193
821 HG2 LYS 100 HG2 LYS 100 -2.329 -11.806 4.681
822 HG3 LYS 100 HG3 LYS 100 -1.313 -13.132 4.113
823 HD2 LYS 100 HD2 LYS 100 -1.178 -13.073 6.530
824 HD3 LYS 100 HD3 LYS 100 0.364 -12.516 5.882
825 HE2 LYS 100 HE2 LYS 100 -0.063 -10.279 6.429
826 HE3 LYS 100 HE3 LYS 100 -1.807 -10.529 6.503
827 HZ1 LYS 100 HZ1 LYS 100 0.220 -11.509 8.436
828 HZ2 LYS 100 HZ2 LYS 100 -1.420 -11.953 8.468
829 HZ3 LYS 100 HZ3 LYS 100 -0.970 -10.332 8.713
830 H ALA 101 H ALA 101 -1.828 -8.679 2.328
831 HA ALA 101 HA ALA 101 -4.475 -8.959 3.326
832 HB1 ALA 101 HB1 ALA 101 -2.831 -6.837 2.614
833 HB2 ALA 101 HB2 ALA 101 -4.494 -6.701 3.186
834 HB3 ALA 101 HB3 ALA 101 -4.156 -6.732 1.455
835 H THR 102 H THR 102 -3.214 -9.063 0.013
836 HA THR 102 HA THR 102 -5.814 -9.061 -1.242
837 HB THR 102 HB THR 102 -3.275 -8.807 -2.185
838 HG1 THR 102 HG1 THR 102 -4.405 -9.312 -4.280
839 HG21 THR 102 HG21 THR 102 -2.989 -11.322 -1.859
840 HG22 THR 102 HG22 THR 102 -2.634 -10.711 -3.473
841 HG23 THR 102 HG23 THR 102 -4.164 -11.528 -3.159
842 H GLU 103 H GLU 103 -3.764 -11.564 0.133
843 HA GLU 103 HA GLU 103 -5.430 -13.724 -0.952
844 HB2 GLU 103 HB2 GLU 103 -2.970 -14.000 -0.572
845 HB3 GLU 103 HB3 GLU 103 -3.259 -13.850 1.162
846 HG2 GLU 103 HG2 GLU 103 -4.810 -15.800 1.036
847 HG3 GLU 103 HG3 GLU 103 -4.401 -15.980 -0.671
848 HHA HEC 104 HA HEC 104 -3.814 4.425 -2.079
849 HHB HEC 104 HB HEC 104 0.393 1.044 1.167
850 HHC HEC 104 HC HEC 104 -0.953 4.401 6.387
851 HHD HEC 104 HD HEC 104 -5.139 7.791 3.102
852 HMA1 HEC 104 1HMA HEC 104 -0.536 -0.190 -0.518
853 HMA2 HEC 104 2HMA HEC 104 0.529 0.638 -1.651
854 HMA3 HEC 104 3HMA HEC 104 -1.072 0.106 -2.173
855 HAA1 HEC 104 1HAA HEC 104 -1.239 1.982 -3.552
856 HAA2 HEC 104 2HAA HEC 104 -2.910 2.522 -3.493
857 HBA1 HEC 104 1HBA HEC 104 -0.502 4.044 -4.064
858 HBA2 HEC 104 2HBA HEC 104 -1.435 4.778 -2.760
859 HMB1 HEC 104 1HMB HEC 104 1.970 0.244 4.141
860 HMB2 HEC 104 2HMB HEC 104 2.038 0.866 2.505
861 HMB3 HEC 104 3HMB HEC 104 2.744 1.795 3.810
862 HAB HEC 104 HAB HEC 104 0.401 2.792 7.002
863 HBB1 HEC 104 1HBB HEC 104 1.436 0.080 6.304
864 HBB2 HEC 104 2HBB HEC 104 1.916 1.163 7.605
865 HBB3 HEC 104 3HBB HEC 104 2.455 1.481 5.973
866 HMC1 HEC 104 1HMC HEC 104 -2.635 7.639 7.549
867 HMC2 HEC 104 2HMC HEC 104 -1.092 6.988 6.999
868 HMC3 HEC 104 3HMC HEC 104 -2.195 5.974 7.928
869 HAC HEC 104 HAC HEC 104 -5.761 7.603 5.265
870 HBC1 HEC 104 1HBC HEC 104 -3.489 9.327 6.160
871 HBC2 HEC 104 2HBC HEC 104 -4.895 9.744 5.180
872 HBC3 HEC 104 3HBC HEC 104 -5.058 9.570 6.927
873 HMD1 HEC 104 1HMD HEC 104 -5.144 9.151 0.730
874 HMD2 HEC 104 2HMD HEC 104 -6.672 8.444 1.255
875 HMD3 HEC 104 3HMD HEC 104 -6.315 8.594 -0.466
876 HAD1 HEC 104 1HAD HEC 104 -6.898 6.559 -1.526
877 HAD2 HEC 104 2HAD HEC 104 -6.000 5.150 -2.069
878 HBD1 HEC 104 1HBD HEC 104 -5.351 8.042 -2.684
879 HBD2 HEC 104 2HBD HEC 104 -4.344 6.671 -3.148
Start of MODEL 18
1 H1 THR -5 H1 THR -5 15.655 1.714 -3.855
2 H2 THR -5 H2 THR -5 15.351 0.764 -2.480
3 H3 THR -5 H3 THR -5 14.367 0.611 -3.857
4 HA THR -5 HA THR -5 16.746 0.092 -4.931
5 HB THR -5 HB THR -5 17.735 0.264 -2.604
6 HG1 THR -5 HG1 THR -5 18.166 -1.448 -4.513
7 HG21 THR -5 HG21 THR -5 16.439 -2.410 -2.113
8 HG22 THR -5 HG22 THR -5 15.642 -0.916 -1.625
9 HG23 THR -5 HG23 THR -5 17.218 -1.333 -0.954
10 H GLU -4 H GLU -4 17.056 -2.563 -4.830
11 HA GLU -4 HA GLU -4 14.699 -3.625 -5.996
12 HB2 GLU -4 HB2 GLU -4 16.994 -5.097 -4.664
13 HB3 GLU -4 HB3 GLU -4 15.798 -5.835 -5.728
14 HG2 GLU -4 HG2 GLU -4 16.487 -4.281 -7.543
15 HG3 GLU -4 HG3 GLU -4 17.730 -3.622 -6.480
16 H PHE -3 H PHE -3 13.021 -4.899 -5.150
17 HA PHE -3 HA PHE -3 12.745 -4.771 -2.192
18 HB2 PHE -3 HB2 PHE -3 10.822 -3.844 -3.181
19 HB3 PHE -3 HB3 PHE -3 10.789 -5.052 -4.465
20 HD1 PHE -3 HD1 PHE -3 11.141 -5.466 -0.748
21 HD2 PHE -3 HD2 PHE -3 8.757 -6.203 -4.245
22 HE1 PHE -3 HE1 PHE -3 9.607 -6.873 0.593
23 HE2 PHE -3 HE2 PHE -3 7.221 -7.606 -2.900
24 HZ PHE -3 HZ PHE -3 7.646 -7.942 -0.481
25 H LYS -2 H LYS -2 12.807 -6.609 -0.985
26 HA LYS -2 HA LYS -2 12.628 -9.227 -2.407
27 HB2 LYS -2 HB2 LYS -2 14.988 -8.651 -1.783
28 HB3 LYS -2 HB3 LYS -2 14.479 -8.577 -0.096
29 HG2 LYS -2 HG2 LYS -2 13.781 -10.919 -0.167
30 HG3 LYS -2 HG3 LYS -2 14.182 -11.008 -1.883
31 HD2 LYS -2 HD2 LYS -2 16.027 -11.961 -0.637
32 HD3 LYS -2 HD3 LYS -2 16.553 -10.409 -1.288
33 HE2 LYS -2 HE2 LYS -2 16.440 -9.347 0.800
34 HE3 LYS -2 HE3 LYS -2 15.341 -10.556 1.463
35 HZ1 LYS -2 HZ1 LYS -2 17.295 -11.203 2.407
36 HZ2 LYS -2 HZ2 LYS -2 18.245 -10.681 1.100
37 HZ3 LYS -2 HZ3 LYS -2 17.357 -12.125 0.986
38 H ALA -1 H ALA -1 11.111 -10.553 -1.520
39 HA ALA -1 HA ALA -1 9.424 -9.701 0.600
40 HB1 ALA -1 HB1 ALA -1 8.726 -11.375 -1.059
41 HB2 ALA -1 HB2 ALA -1 8.553 -12.014 0.576
42 HB3 ALA -1 HB3 ALA -1 9.918 -12.510 -0.424
43 H GLY 1 H GLY 1 10.563 -9.181 2.479
44 HA2 GLY 1 HA2 GLY 1 12.521 -11.009 3.634
45 HA3 GLY 1 HA3 GLY 1 11.892 -9.547 4.399
46 H SER 2 H SER 2 10.196 -9.735 5.855
47 HA SER 2 HA SER 2 8.939 -12.435 6.126
48 HB2 SER 2 HB2 SER 2 10.703 -12.076 7.870
49 HB3 SER 2 HB3 SER 2 9.817 -10.658 8.423
50 HG SER 2 HG SER 2 7.988 -12.362 8.426
51 H ALA 3 H ALA 3 6.775 -12.218 5.898
52 HA ALA 3 HA ALA 3 5.479 -9.638 5.905
53 HB1 ALA 3 HB1 ALA 3 4.789 -12.365 5.247
54 HB2 ALA 3 HB2 ALA 3 4.012 -10.872 4.722
55 HB3 ALA 3 HB3 ALA 3 3.513 -11.642 6.228
56 H LYS 4 H LYS 4 5.824 -12.226 8.275
57 HA LYS 4 HA LYS 4 3.858 -11.384 10.143
58 HB2 LYS 4 HB2 LYS 4 6.568 -12.594 10.759
59 HB3 LYS 4 HB3 LYS 4 5.125 -12.667 11.768
60 HG2 LYS 4 HG2 LYS 4 3.951 -13.916 9.985
61 HG3 LYS 4 HG3 LYS 4 5.419 -13.861 9.008
62 HD2 LYS 4 HD2 LYS 4 5.316 -16.012 10.151
63 HD3 LYS 4 HD3 LYS 4 6.632 -15.058 10.835
64 HE2 LYS 4 HE2 LYS 4 4.025 -14.639 12.149
65 HE3 LYS 4 HE3 LYS 4 4.669 -16.271 12.318
66 HZ1 LYS 4 HZ1 LYS 4 5.358 -14.334 13.939
67 HZ2 LYS 4 HZ2 LYS 4 6.509 -14.038 12.725
68 HZ3 LYS 4 HZ3 LYS 4 6.452 -15.552 13.493
69 H LYS 5 H LYS 5 7.310 -10.578 9.927
70 HA LYS 5 HA LYS 5 7.376 -8.801 12.151
71 HB2 LYS 5 HB2 LYS 5 9.033 -8.812 9.611
72 HB3 LYS 5 HB3 LYS 5 9.414 -7.869 11.049
73 HG2 LYS 5 HG2 LYS 5 9.464 -9.988 12.375
74 HG3 LYS 5 HG3 LYS 5 9.222 -10.888 10.877
75 HD2 LYS 5 HD2 LYS 5 11.295 -9.831 9.960
76 HD3 LYS 5 HD3 LYS 5 11.560 -9.070 11.529
77 HE2 LYS 5 HE2 LYS 5 12.029 -11.095 12.584
78 HE3 LYS 5 HE3 LYS 5 11.135 -12.038 11.392
79 HZ1 LYS 5 HZ1 LYS 5 12.909 -11.225 9.770
80 HZ2 LYS 5 HZ2 LYS 5 13.348 -12.434 10.879
81 HZ3 LYS 5 HZ3 LYS 5 13.813 -10.822 11.146
82 H GLY 6 H GLY 6 6.840 -8.118 8.675
83 HA2 GLY 6 HA2 GLY 6 6.489 -5.292 9.060
84 HA3 GLY 6 HA3 GLY 6 5.937 -6.191 7.653
85 H ALA 7 H ALA 7 4.286 -8.055 9.175
86 HA ALA 7 HA ALA 7 1.811 -6.706 9.158
87 HB1 ALA 7 HB1 ALA 7 2.478 -9.038 10.972
88 HB2 ALA 7 HB2 ALA 7 2.183 -9.221 9.244
89 HB3 ALA 7 HB3 ALA 7 0.902 -8.622 10.298
90 H THR 8 H THR 8 4.048 -7.290 11.860
91 HA THR 8 HA THR 8 2.429 -6.049 13.879
92 HB THR 8 HB THR 8 4.495 -5.961 15.167
93 HG1 THR 8 HG1 THR 8 6.006 -6.841 13.011
94 HG21 THR 8 HG21 THR 8 3.390 -8.205 14.554
95 HG22 THR 8 HG22 THR 8 5.043 -8.262 15.168
96 HG23 THR 8 HG23 THR 8 4.739 -8.411 13.437
97 H LEU 9 H LEU 9 4.987 -4.893 11.749
98 HA LEU 9 HA LEU 9 5.070 -2.183 12.632
99 HB2 LEU 9 HB2 LEU 9 5.624 -3.385 9.912
100 HB3 LEU 9 HB3 LEU 9 6.100 -1.773 10.406
101 HG LEU 9 HG LEU 9 7.021 -4.377 11.648
102 HD11 LEU 9 HD11 LEU 9 7.930 -3.296 9.384
103 HD12 LEU 9 HD12 LEU 9 9.018 -4.053 10.548
104 HD13 LEU 9 HD13 LEU 9 8.835 -2.299 10.521
105 HD21 LEU 9 HD21 LEU 9 7.035 -2.960 13.496
106 HD22 LEU 9 HD22 LEU 9 7.250 -1.513 12.512
107 HD23 LEU 9 HD23 LEU 9 8.614 -2.592 12.801
108 H PHE 10 H PHE 10 3.169 -3.801 10.124
109 HA PHE 10 HA PHE 10 1.907 -1.488 9.046
110 HB2 PHE 10 HB2 PHE 10 1.905 -3.807 8.042
111 HB3 PHE 10 HB3 PHE 10 0.732 -4.280 9.270
112 HD1 PHE 10 HD1 PHE 10 -1.540 -3.295 9.291
113 HD2 PHE 10 HD2 PHE 10 1.288 -2.387 6.189
114 HE1 PHE 10 HE1 PHE 10 -3.369 -2.373 7.894
115 HE2 PHE 10 HE2 PHE 10 -0.541 -1.466 4.789
116 HZ PHE 10 HZ PHE 10 -2.872 -1.456 5.638
117 H LYS 11 H LYS 11 0.784 -3.754 11.576
118 HA LYS 11 HA LYS 11 -1.661 -2.400 12.121
119 HB2 LYS 11 HB2 LYS 11 0.057 -4.161 13.887
120 HB3 LYS 11 HB3 LYS 11 -1.587 -3.660 14.274
121 HG2 LYS 11 HG2 LYS 11 -2.366 -4.701 12.142
122 HG3 LYS 11 HG3 LYS 11 -0.725 -5.290 11.868
123 HD2 LYS 11 HD2 LYS 11 -0.836 -6.494 14.054
124 HD3 LYS 11 HD3 LYS 11 -2.518 -5.986 14.212
125 HE2 LYS 11 HE2 LYS 11 -2.032 -7.166 11.604
126 HE3 LYS 11 HE3 LYS 11 -1.583 -8.280 12.895
127 HZ1 LYS 11 HZ1 LYS 11 -3.805 -8.703 12.703
128 HZ2 LYS 11 HZ2 LYS 11 -4.200 -7.107 12.274
129 HZ3 LYS 11 HZ3 LYS 11 -3.842 -7.493 13.890
130 H THR 12 H THR 12 1.604 -1.948 13.433
131 HA THR 12 HA THR 12 0.586 0.072 15.335
132 HB THR 12 HB THR 12 2.872 0.142 16.181
133 HG1 THR 12 HG1 THR 12 4.226 -0.079 14.560
134 HG21 THR 12 HG21 THR 12 3.170 -2.342 16.648
135 HG22 THR 12 HG22 THR 12 1.795 -2.618 15.578
136 HG23 THR 12 HG23 THR 12 1.589 -1.677 17.056
137 H ARG 13 H ARG 13 1.560 0.078 12.110
138 HA ARG 13 HA ARG 13 1.923 3.019 12.247
139 HB2 ARG 13 HB2 ARG 13 3.886 1.134 10.914
140 HB3 ARG 13 HB3 ARG 13 3.913 2.888 10.763
141 HG2 ARG 13 HG2 ARG 13 4.106 3.038 13.265
142 HG3 ARG 13 HG3 ARG 13 4.258 1.282 13.308
143 HD2 ARG 13 HD2 ARG 13 6.219 1.486 11.739
144 HD3 ARG 13 HD3 ARG 13 6.126 3.236 11.942
145 HE ARG 13 HE ARG 13 7.072 1.310 13.953
146 HH11 ARG 13 HH21 ARG 13 5.884 4.457 13.196
147 HH12 ARG 13 HH22 ARG 13 6.554 5.196 14.611
148 HH21 ARG 13 HH11 ARG 13 7.955 2.256 15.806
149 HH22 ARG 13 HH12 ARG 13 7.727 3.950 16.089
150 H CYS 14 H CYS 14 -0.137 1.079 11.183
151 HA CYS 14 HA CYS 14 -0.656 2.438 8.688
152 HB2 CYS 14 HB2 CYS 14 1.261 0.722 8.241
153 HB3 CYS 14 HB3 CYS 14 -0.013 -0.472 8.357
154 H LEU 15 H LEU 15 -2.444 2.302 10.612
155 HA LEU 15 HA LEU 15 -4.421 0.351 9.601
156 HB2 LEU 15 HB2 LEU 15 -4.993 -0.488 11.811
157 HB3 LEU 15 HB3 LEU 15 -3.278 -0.763 11.520
158 HG LEU 15 HG LEU 15 -4.423 1.565 13.097
159 HD11 LEU 15 HD11 LEU 15 -3.388 -1.140 13.841
160 HD12 LEU 15 HD12 LEU 15 -4.697 -0.203 14.562
161 HD13 LEU 15 HD13 LEU 15 -3.019 0.218 14.904
162 HD21 LEU 15 HD21 LEU 15 -2.389 2.397 12.372
163 HD22 LEU 15 HD22 LEU 15 -1.688 0.789 12.166
164 HD23 LEU 15 HD23 LEU 15 -1.839 1.489 13.779
165 H GLN 16 H GLN 16 -3.672 3.220 11.491
166 HA GLN 16 HA GLN 16 -6.259 3.993 12.293
167 HB2 GLN 16 HB2 GLN 16 -5.408 6.252 12.392
168 HB3 GLN 16 HB3 GLN 16 -4.096 5.170 12.859
169 HG2 GLN 16 HG2 GLN 16 -3.327 5.221 10.446
170 HG3 GLN 16 HG3 GLN 16 -4.504 6.506 10.173
171 HE21 GLN 16 HE21 GLN 16 -3.116 8.317 9.948
172 HE22 GLN 16 HE22 GLN 16 -2.026 8.821 11.147
173 H CYS 17 H CYS 17 -4.697 4.268 9.130
174 HA CYS 17 HA CYS 17 -7.093 5.650 8.053
175 HB2 CYS 17 HB2 CYS 17 -4.351 5.041 6.947
176 HB3 CYS 17 HB3 CYS 17 -5.657 5.624 5.917
177 H HIS 18 H HIS 18 -5.079 3.218 6.438
178 HA HIS 18 HA HIS 18 -7.219 2.007 5.047
179 HB2 HIS 18 HB2 HIS 18 -4.533 0.880 5.874
180 HB3 HIS 18 HB3 HIS 18 -5.643 0.053 4.780
181 HD1 HIS 18 HD1 HIS 18 -5.936 1.014 2.415
182 HD2 HIS 18 HD2 HIS 18 -3.340 3.257 4.786
183 HE1 HIS 18 HE1 HIS 18 -4.792 2.665 0.865
184 H THR 19 H THR 19 -5.888 1.268 8.243
185 HA THR 19 HA THR 19 -6.587 -0.325 9.834
186 HB THR 19 HB THR 19 -9.432 -0.030 9.120
187 HG1 THR 19 HG1 THR 19 -9.049 2.310 9.915
188 HG21 THR 19 HG21 THR 19 -8.093 1.124 11.540
189 HG22 THR 19 HG22 THR 19 -8.198 -0.627 11.373
190 HG23 THR 19 HG23 THR 19 -9.667 0.345 11.402
191 H VAL 20 H VAL 20 -5.671 -2.054 8.417
192 HA VAL 20 HA VAL 20 -7.389 -3.510 6.611
193 HB VAL 20 HB VAL 20 -4.755 -4.192 7.916
194 HG11 VAL 20 HG11 VAL 20 -5.267 -6.336 7.365
195 HG12 VAL 20 HG12 VAL 20 -4.989 -5.808 5.707
196 HG13 VAL 20 HG13 VAL 20 -6.627 -5.843 6.358
197 HG21 VAL 20 HG21 VAL 20 -3.823 -3.643 5.768
198 HG22 VAL 20 HG22 VAL 20 -4.909 -2.323 6.206
199 HG23 VAL 20 HG23 VAL 20 -5.425 -3.539 5.038
200 H GLU 21 H GLU 21 -8.966 -3.327 8.764
201 HA GLU 21 HA GLU 21 -8.656 -5.568 10.601
202 HB2 GLU 21 HB2 GLU 21 -11.091 -3.865 9.980
203 HB3 GLU 21 HB3 GLU 21 -10.935 -4.972 11.344
204 HG2 GLU 21 HG2 GLU 21 -9.125 -2.602 10.826
205 HG3 GLU 21 HG3 GLU 21 -10.453 -2.616 11.987
206 H LYS 22 H LYS 22 -8.946 -5.782 7.488
207 HA LYS 22 HA LYS 22 -9.753 -7.421 6.031
208 HB2 LYS 22 HB2 LYS 22 -10.869 -8.822 8.466
209 HB3 LYS 22 HB3 LYS 22 -10.462 -9.526 6.904
210 HG2 LYS 22 HG2 LYS 22 -8.488 -8.269 8.829
211 HG3 LYS 22 HG3 LYS 22 -8.701 -9.991 8.545
212 HD2 LYS 22 HD2 LYS 22 -8.205 -9.504 6.081
213 HD3 LYS 22 HD3 LYS 22 -7.655 -7.917 6.621
214 HE2 LYS 22 HE2 LYS 22 -5.653 -8.963 6.873
215 HE3 LYS 22 HE3 LYS 22 -6.354 -9.519 8.391
216 HZ1 LYS 22 HZ1 LYS 22 -5.473 -11.089 6.320
217 HZ2 LYS 22 HZ2 LYS 22 -7.168 -11.153 6.211
218 HZ3 LYS 22 HZ3 LYS 22 -6.390 -11.596 7.655
219 H GLY 23 H GLY 23 -11.212 -5.390 5.719
220 HA2 GLY 23 HA2 GLY 23 -13.439 -5.200 4.713
221 HA3 GLY 23 HA3 GLY 23 -14.037 -6.332 5.928
222 H GLY 24 H GLY 24 -11.856 -4.047 7.204
223 HA2 GLY 24 HA2 GLY 24 -13.858 -2.888 8.911
224 HA3 GLY 24 HA3 GLY 24 -12.202 -2.305 8.744
225 HA PRO 25 HA PRO 25 -15.557 0.403 6.533
226 HB2 PRO 25 HB2 PRO 25 -15.381 2.510 8.353
227 HB3 PRO 25 HB3 PRO 25 -16.676 1.300 8.307
228 HG2 PRO 25 HG2 PRO 25 -14.299 1.463 10.073
229 HG3 PRO 25 HG3 PRO 25 -15.933 0.873 10.421
230 HD2 PRO 25 HD2 PRO 25 -13.839 -0.814 10.022
231 HD3 PRO 25 HD3 PRO 25 -15.503 -1.239 9.560
232 H HIS 26 H HIS 26 -14.938 2.214 5.246
233 HA HIS 26 HA HIS 26 -12.042 2.649 5.078
234 HB2 HIS 26 HB2 HIS 26 -14.249 3.990 3.489
235 HB3 HIS 26 HB3 HIS 26 -12.540 3.906 3.067
236 HD1 HIS 26 HD1 HIS 26 -11.594 1.506 2.420
237 HD2 HIS 26 HD2 HIS 26 -15.745 1.720 2.783
238 HE1 HIS 26 HE1 HIS 26 -12.520 -0.582 1.321
239 HE2 HIS 26 HE2 HIS 26 -15.044 -0.463 1.541
240 H LYS 27 H LYS 27 -11.827 3.725 7.213
241 HA LYS 27 HA LYS 27 -13.172 6.126 7.925
242 HB2 LYS 27 HB2 LYS 27 -10.333 5.247 8.552
243 HB3 LYS 27 HB3 LYS 27 -11.177 6.568 9.361
244 HG2 LYS 27 HG2 LYS 27 -12.957 4.959 10.049
245 HG3 LYS 27 HG3 LYS 27 -12.011 3.653 9.335
246 HD2 LYS 27 HD2 LYS 27 -10.110 4.268 10.840
247 HD3 LYS 27 HD3 LYS 27 -11.155 5.460 11.614
248 HE2 LYS 27 HE2 LYS 27 -12.722 3.697 12.277
249 HE3 LYS 27 HE3 LYS 27 -11.739 2.488 11.449
250 HZ1 LYS 27 HZ1 LYS 27 -10.216 4.079 13.273
251 HZ2 LYS 27 HZ2 LYS 27 -10.332 2.388 13.148
252 HZ3 LYS 27 HZ3 LYS 27 -11.480 3.258 14.050
253 H VAL 28 H VAL 28 -10.373 5.530 5.869
254 HA VAL 28 HA VAL 28 -10.723 8.150 4.600
255 HB VAL 28 HB VAL 28 -8.211 7.455 6.153
256 HG11 VAL 28 HG11 VAL 28 -8.734 9.596 4.072
257 HG12 VAL 28 HG12 VAL 28 -7.505 8.332 4.019
258 HG13 VAL 28 HG13 VAL 28 -7.372 9.642 5.192
259 HG21 VAL 28 HG21 VAL 28 -10.314 9.617 6.320
260 HG22 VAL 28 HG22 VAL 28 -8.712 9.839 7.021
261 HG23 VAL 28 HG23 VAL 28 -9.753 8.534 7.594
262 H GLY 29 H GLY 29 -7.878 6.024 4.850
263 HA2 GLY 29 HA2 GLY 29 -7.703 5.821 1.956
264 HA3 GLY 29 HA3 GLY 29 -6.674 4.976 3.115
265 HA PRO 30 HA PRO 30 -10.207 2.298 1.157
266 HB2 PRO 30 HB2 PRO 30 -8.484 0.777 -0.427
267 HB3 PRO 30 HB3 PRO 30 -9.518 2.095 -1.004
268 HG2 PRO 30 HG2 PRO 30 -6.622 2.096 -0.382
269 HG3 PRO 30 HG3 PRO 30 -7.519 3.001 -1.613
270 HD2 PRO 30 HD2 PRO 30 -6.619 4.161 0.680
271 HD3 PRO 30 HD3 PRO 30 -8.105 4.693 -0.139
272 H ASN 31 H ASN 31 -10.545 0.095 1.779
273 HA ASN 31 HA ASN 31 -9.326 -0.824 4.122
274 HB2 ASN 31 HB2 ASN 31 -11.428 -1.736 2.958
275 HB3 ASN 31 HB3 ASN 31 -10.329 -2.710 1.979
276 HD21 ASN 31 HD21 ASN 31 -10.170 -4.781 2.839
277 HD22 ASN 31 HD22 ASN 31 -10.134 -5.154 4.493
278 H LEU 32 H LEU 32 -8.143 -0.873 0.893
279 HA LEU 32 HA LEU 32 -6.063 -1.472 0.043
280 HB2 LEU 32 HB2 LEU 32 -5.351 -0.647 2.416
281 HB3 LEU 32 HB3 LEU 32 -5.219 -2.355 2.806
282 HG LEU 32 HG LEU 32 -3.568 -2.682 1.038
283 HD11 LEU 32 HD11 LEU 32 -2.721 -0.304 0.109
284 HD12 LEU 32 HD12 LEU 32 -4.429 0.081 0.314
285 HD13 LEU 32 HD13 LEU 32 -3.943 -1.257 -0.727
286 HD21 LEU 32 HD21 LEU 32 -2.162 -0.422 1.980
287 HD22 LEU 32 HD22 LEU 32 -2.103 -2.061 2.637
288 HD23 LEU 32 HD23 LEU 32 -3.251 -0.892 3.286
289 H HIS 33 H HIS 33 -8.226 -3.267 0.068
290 HA HIS 33 HA HIS 33 -6.783 -5.884 0.214
291 HB2 HIS 33 HB2 HIS 33 -9.364 -5.037 1.296
292 HB3 HIS 33 HB3 HIS 33 -9.505 -6.455 0.255
293 HD1 HIS 33 HD1 HIS 33 -6.991 -5.340 2.922
294 HD2 HIS 33 HD2 HIS 33 -9.139 -8.708 1.743
295 HE1 HIS 33 HE1 HIS 33 -6.353 -7.191 4.530
296 HE2 HIS 33 HE2 HIS 33 -7.670 -9.246 3.835
297 H GLY 34 H GLY 34 -8.490 -3.604 -1.664
298 HA2 GLY 34 HA2 GLY 34 -8.978 -5.604 -3.827
299 HA3 GLY 34 HA3 GLY 34 -9.771 -4.037 -3.715
300 H ILE 35 H ILE 35 -6.723 -3.235 -2.942
301 HA ILE 35 HA ILE 35 -6.168 -1.970 -5.424
302 HB ILE 35 HB ILE 35 -4.250 -2.753 -3.203
303 HG12 ILE 35 HG12 ILE 35 -6.125 -0.479 -3.706
304 HG13 ILE 35 HG13 ILE 35 -5.688 -1.254 -2.188
305 HG21 ILE 35 HG21 ILE 35 -2.674 -1.212 -4.133
306 HG22 ILE 35 HG22 ILE 35 -3.851 -0.601 -5.296
307 HG23 ILE 35 HG23 ILE 35 -3.189 -2.222 -5.478
308 HD11 ILE 35 HD11 ILE 35 -4.185 0.848 -3.734
309 HD12 ILE 35 HD12 ILE 35 -3.325 -0.207 -2.612
310 HD13 ILE 35 HD13 ILE 35 -4.622 0.835 -2.026
311 H PHE 36 H PHE 36 -5.356 -5.197 -4.263
312 HA PHE 36 HA PHE 36 -3.759 -5.657 -6.729
313 HB2 PHE 36 HB2 PHE 36 -4.190 -7.416 -4.299
314 HB3 PHE 36 HB3 PHE 36 -3.128 -7.796 -5.655
315 HD1 PHE 36 HD1 PHE 36 -1.153 -6.318 -6.142
316 HD2 PHE 36 HD2 PHE 36 -3.531 -5.882 -2.592
317 HE1 PHE 36 HE1 PHE 36 0.652 -4.976 -5.097
318 HE2 PHE 36 HE2 PHE 36 -1.727 -4.542 -1.547
319 HZ PHE 36 HZ PHE 36 0.365 -4.085 -2.800
320 H GLY 37 H GLY 37 -4.589 -6.781 -8.409
321 HA2 GLY 37 HA2 GLY 37 -6.229 -8.974 -8.525
322 HA3 GLY 37 HA3 GLY 37 -7.382 -7.651 -8.317
323 H ARG 38 H ARG 38 -7.654 -6.141 -10.013
324 HA ARG 38 HA ARG 38 -6.041 -6.592 -12.472
325 HB2 ARG 38 HB2 ARG 38 -8.028 -6.603 -13.879
326 HB3 ARG 38 HB3 ARG 38 -8.164 -7.891 -12.683
327 HG2 ARG 38 HG2 ARG 38 -10.142 -7.013 -12.098
328 HG3 ARG 38 HG3 ARG 38 -9.267 -5.642 -11.431
329 HD2 ARG 38 HD2 ARG 38 -9.391 -4.478 -13.575
330 HD3 ARG 38 HD3 ARG 38 -10.166 -5.877 -14.317
331 HE ARG 38 HE ARG 38 -11.454 -3.933 -12.531
332 HH11 ARG 38 HH21 ARG 38 -11.451 -7.063 -13.978
333 HH12 ARG 38 HH22 ARG 38 -13.158 -7.293 -13.801
334 HH21 ARG 38 HH11 ARG 38 -13.684 -4.216 -12.291
335 HH22 ARG 38 HH12 ARG 38 -14.423 -5.681 -12.846
336 H HIS 39 H HIS 39 -5.771 -4.715 -13.701
337 HA HIS 39 HA HIS 39 -5.428 -2.382 -13.875
338 HB2 HIS 39 HB2 HIS 39 -8.404 -2.439 -13.295
339 HB3 HIS 39 HB3 HIS 39 -7.527 -1.135 -14.094
340 HD1 HIS 39 HD1 HIS 39 -9.752 -2.452 -15.680
341 HD2 HIS 39 HD2 HIS 39 -5.820 -3.842 -15.755
342 HE1 HIS 39 HE1 HIS 39 -9.497 -3.768 -17.832
343 HE2 HIS 39 HE2 HIS 39 -7.108 -4.618 -17.887
344 H SER 40 H SER 40 -6.315 -0.171 -12.672
345 HA SER 40 HA SER 40 -5.734 -0.657 -9.796
346 HB2 SER 40 HB2 SER 40 -5.019 1.706 -9.770
347 HB3 SER 40 HB3 SER 40 -4.109 0.777 -10.945
348 HG SER 40 HG SER 40 -6.477 1.955 -11.802
349 H GLY 41 H GLY 41 -6.980 0.510 -8.208
350 HA2 GLY 41 HA2 GLY 41 -8.886 1.628 -7.375
351 HA3 GLY 41 HA3 GLY 41 -9.269 2.119 -9.025
352 H GLN 42 H GLN 42 -9.485 -0.606 -6.749
353 HA GLN 42 HA GLN 42 -11.862 -1.553 -8.298
354 HB2 GLN 42 HB2 GLN 42 -9.690 -3.304 -7.111
355 HB3 GLN 42 HB3 GLN 42 -11.166 -3.887 -7.882
356 HG2 GLN 42 HG2 GLN 42 -10.130 -3.781 -9.874
357 HG3 GLN 42 HG3 GLN 42 -9.982 -2.035 -9.678
358 HE21 GLN 42 HE21 GLN 42 -7.895 -1.203 -9.331
359 HE22 GLN 42 HE22 GLN 42 -6.521 -2.160 -9.053
360 H ALA 43 H ALA 43 -11.274 -0.077 -5.601
361 HA ALA 43 HA ALA 43 -12.196 -1.938 -3.570
362 HB1 ALA 43 HB1 ALA 43 -10.856 0.203 -3.170
363 HB2 ALA 43 HB2 ALA 43 -12.224 -0.066 -2.092
364 HB3 ALA 43 HB3 ALA 43 -12.366 1.079 -3.426
365 H GLU 44 H GLU 44 -14.255 -2.638 -3.356
366 HA GLU 44 HA GLU 44 -16.424 -1.588 -4.928
367 HB2 GLU 44 HB2 GLU 44 -16.431 -3.413 -2.505
368 HB3 GLU 44 HB3 GLU 44 -17.837 -3.097 -3.523
369 HG2 GLU 44 HG2 GLU 44 -16.580 -3.951 -5.489
370 HG3 GLU 44 HG3 GLU 44 -15.217 -4.325 -4.433
371 H GLY 45 H GLY 45 -15.384 -1.074 -1.582
372 HA2 GLY 45 HA2 GLY 45 -17.717 0.685 -1.090
373 HA3 GLY 45 HA3 GLY 45 -16.521 0.201 0.113
374 H TYR 46 H TYR 46 -14.248 1.085 -0.322
375 HA TYR 46 HA TYR 46 -14.260 3.901 -0.335
376 HB2 TYR 46 HB2 TYR 46 -12.336 2.805 0.540
377 HB3 TYR 46 HB3 TYR 46 -12.076 1.905 -0.954
378 HD1 TYR 46 HD1 TYR 46 -11.848 5.235 0.650
379 HD2 TYR 46 HD2 TYR 46 -11.015 2.912 -2.866
380 HE1 TYR 46 HE1 TYR 46 -10.400 7.054 -0.210
381 HE2 TYR 46 HE2 TYR 46 -9.567 4.726 -3.729
382 HH TYR 46 HH TYR 46 -8.250 6.632 -2.780
383 H SER 47 H SER 47 -13.798 5.447 -1.949
384 HA SER 47 HA SER 47 -14.083 4.439 -4.753
385 HB2 SER 47 HB2 SER 47 -15.149 6.567 -5.281
386 HB3 SER 47 HB3 SER 47 -15.979 5.832 -3.912
387 HG SER 47 HG SER 47 -13.876 7.350 -3.124
388 H TYR 48 H TYR 48 -12.843 5.555 -6.380
389 HA TYR 48 HA TYR 48 -10.357 6.790 -5.278
390 HB2 TYR 48 HB2 TYR 48 -10.911 5.337 -7.877
391 HB3 TYR 48 HB3 TYR 48 -9.402 6.187 -7.543
392 HD1 TYR 48 HD2 TYR 48 -11.645 3.487 -6.285
393 HD2 TYR 48 HD1 TYR 48 -7.707 5.198 -6.226
394 HE1 TYR 48 HE2 TYR 48 -10.809 1.526 -5.022
395 HE2 TYR 48 HE1 TYR 48 -6.872 3.236 -4.956
396 HH TYR 48 HH TYR 48 -7.551 1.435 -3.704
397 H THR 49 H THR 49 -9.416 8.557 -6.566
398 HA THR 49 HA THR 49 -11.396 10.551 -7.254
399 HB THR 49 HB THR 49 -9.644 11.955 -7.002
400 HG1 THR 49 HG1 THR 49 -9.084 11.797 -9.134
401 HG21 THR 49 HG21 THR 49 -7.902 9.489 -6.753
402 HG22 THR 49 HG22 THR 49 -8.948 10.086 -5.460
403 HG23 THR 49 HG23 THR 49 -7.612 11.078 -6.043
404 H ASP 50 H ASP 50 -11.244 7.984 -8.847
405 HA ASP 50 HA ASP 50 -11.585 7.325 -11.051
406 HB2 ASP 50 HB2 ASP 50 -11.866 10.310 -11.526
407 HB3 ASP 50 HB3 ASP 50 -12.298 9.049 -12.676
408 H ALA 51 H ALA 51 -9.141 9.777 -10.426
409 HA ALA 51 HA ALA 51 -7.768 9.648 -12.913
410 HB1 ALA 51 HB1 ALA 51 -5.776 10.381 -11.621
411 HB2 ALA 51 HB2 ALA 51 -6.643 10.043 -10.124
412 HB3 ALA 51 HB3 ALA 51 -7.210 11.319 -11.200
413 H ASN 52 H ASN 52 -7.414 7.690 -9.960
414 HA ASN 52 HA ASN 52 -5.297 6.017 -10.858
415 HB2 ASN 52 HB2 ASN 52 -6.232 6.105 -8.525
416 HB3 ASN 52 HB3 ASN 52 -7.625 5.188 -9.104
417 HD21 ASN 52 HD21 ASN 52 -7.201 3.207 -8.009
418 HD22 ASN 52 HD22 ASN 52 -5.819 2.265 -8.298
419 H ILE 53 H ILE 53 -8.803 5.791 -11.342
420 HA ILE 53 HA ILE 53 -8.743 3.233 -12.667
421 HB ILE 53 HB ILE 53 -10.791 5.460 -12.863
422 HG12 ILE 53 HG12 ILE 53 -10.722 3.003 -11.084
423 HG13 ILE 53 HG13 ILE 53 -10.323 4.634 -10.544
424 HG21 ILE 53 HG21 ILE 53 -10.538 2.883 -14.159
425 HG22 ILE 53 HG22 ILE 53 -11.773 4.121 -14.386
426 HG23 ILE 53 HG23 ILE 53 -11.963 2.908 -13.120
427 HD11 ILE 53 HD11 ILE 53 -12.646 5.292 -11.484
428 HD12 ILE 53 HD12 ILE 53 -12.598 4.400 -9.963
429 HD13 ILE 53 HD13 ILE 53 -12.986 3.562 -11.466
430 H LYS 54 H LYS 54 -8.672 6.589 -13.893
431 HA LYS 54 HA LYS 54 -8.923 5.987 -16.645
432 HB2 LYS 54 HB2 LYS 54 -7.410 8.202 -15.245
433 HB3 LYS 54 HB3 LYS 54 -7.659 8.142 -16.987
434 HG2 LYS 54 HG2 LYS 54 -10.119 8.051 -16.602
435 HG3 LYS 54 HG3 LYS 54 -9.827 8.226 -14.873
436 HD2 LYS 54 HD2 LYS 54 -8.640 10.375 -15.329
437 HD3 LYS 54 HD3 LYS 54 -9.073 10.215 -17.032
438 HE2 LYS 54 HE2 LYS 54 -11.328 10.600 -16.638
439 HE3 LYS 54 HE3 LYS 54 -11.243 10.022 -14.975
440 HZ1 LYS 54 HZ1 LYS 54 -9.707 12.408 -15.694
441 HZ2 LYS 54 HZ2 LYS 54 -10.451 12.001 -14.222
442 HZ3 LYS 54 HZ3 LYS 54 -11.387 12.566 -15.524
443 H LYS 55 H LYS 55 -6.056 5.945 -14.562
444 HA LYS 55 HA LYS 55 -4.117 5.610 -16.623
445 HB2 LYS 55 HB2 LYS 55 -4.065 4.432 -13.827
446 HB3 LYS 55 HB3 LYS 55 -2.672 4.678 -14.879
447 HG2 LYS 55 HG2 LYS 55 -4.476 6.899 -13.873
448 HG3 LYS 55 HG3 LYS 55 -2.920 6.477 -13.161
449 HD2 LYS 55 HD2 LYS 55 -1.947 6.822 -15.527
450 HD3 LYS 55 HD3 LYS 55 -3.473 7.623 -15.900
451 HE2 LYS 55 HE2 LYS 55 -2.702 8.726 -13.453
452 HE3 LYS 55 HE3 LYS 55 -1.205 8.621 -14.379
453 HZ1 LYS 55 HZ1 LYS 55 -3.514 9.565 -15.851
454 HZ2 LYS 55 HZ2 LYS 55 -1.912 10.129 -15.860
455 HZ3 LYS 55 HZ3 LYS 55 -2.976 10.603 -14.624
456 H ASN 56 H ASN 56 -6.305 3.319 -15.078
457 HA ASN 56 HA ASN 56 -6.732 1.063 -15.561
458 HB2 ASN 56 HB2 ASN 56 -7.180 2.136 -17.815
459 HB3 ASN 56 HB3 ASN 56 -5.528 1.708 -18.265
460 HD21 ASN 56 HD21 ASN 56 -6.051 -0.777 -16.338
461 HD22 ASN 56 HD22 ASN 56 -6.837 -1.869 -17.373
462 H VAL 57 H VAL 57 -4.501 1.323 -14.103
463 HA VAL 57 HA VAL 57 -2.494 -0.438 -15.437
464 HB VAL 57 HB VAL 57 -1.580 1.783 -14.878
465 HG11 VAL 57 HG11 VAL 57 -3.295 1.819 -12.813
466 HG12 VAL 57 HG12 VAL 57 -1.809 2.771 -12.804
467 HG13 VAL 57 HG13 VAL 57 -1.870 1.223 -11.960
468 HG21 VAL 57 HG21 VAL 57 -0.614 -0.355 -12.957
469 HG22 VAL 57 HG22 VAL 57 0.327 1.007 -13.568
470 HG23 VAL 57 HG23 VAL 57 -0.177 -0.281 -14.663
471 H LEU 58 H LEU 58 -1.639 -2.160 -14.174
472 HA LEU 58 HA LEU 58 -3.470 -3.028 -12.018
473 HB2 LEU 58 HB2 LEU 58 -2.944 -4.649 -13.787
474 HB3 LEU 58 HB3 LEU 58 -1.222 -4.488 -13.440
475 HG LEU 58 HG LEU 58 -1.577 -5.353 -11.170
476 HD11 LEU 58 HD11 LEU 58 -3.684 -4.774 -10.440
477 HD12 LEU 58 HD12 LEU 58 -4.015 -6.428 -10.952
478 HD13 LEU 58 HD13 LEU 58 -4.427 -5.078 -12.010
479 HD21 LEU 58 HD21 LEU 58 -2.886 -7.582 -12.166
480 HD22 LEU 58 HD22 LEU 58 -1.152 -7.279 -12.285
481 HD23 LEU 58 HD23 LEU 58 -2.219 -6.835 -13.618
482 H TRP 59 H TRP 59 -2.879 -2.989 -9.896
483 HA TRP 59 HA TRP 59 -0.286 -1.831 -9.182
484 HB2 TRP 59 HB2 TRP 59 -2.724 -2.712 -7.653
485 HB3 TRP 59 HB3 TRP 59 -1.230 -2.342 -6.801
486 HD1 TRP 59 HD1 TRP 59 -4.229 -0.753 -8.160
487 HE1 TRP 59 HE1 TRP 59 -3.986 1.826 -8.193
488 HE3 TRP 59 HE3 TRP 59 0.770 -0.360 -7.286
489 HZ2 TRP 59 HZ2 TRP 59 -1.925 3.772 -7.869
490 HZ3 TRP 59 HZ3 TRP 59 1.855 1.862 -7.148
491 HH2 TRP 59 HH2 TRP 59 0.514 3.929 -7.438
492 H ASP 60 H ASP 60 1.490 -2.967 -8.535
493 HA ASP 60 HA ASP 60 1.168 -5.800 -7.699
494 HB2 ASP 60 HB2 ASP 60 3.028 -4.839 -9.897
495 HB3 ASP 60 HB3 ASP 60 3.075 -6.448 -9.179
496 H GLU 61 H GLU 61 3.420 -6.600 -6.881
497 HA GLU 61 HA GLU 61 4.307 -4.839 -4.825
498 HB2 GLU 61 HB2 GLU 61 5.703 -7.223 -6.078
499 HB3 GLU 61 HB3 GLU 61 6.223 -6.430 -4.591
500 HG2 GLU 61 HG2 GLU 61 4.004 -6.912 -3.582
501 HG3 GLU 61 HG3 GLU 61 3.542 -7.768 -5.054
502 H ASN 62 H ASN 62 5.541 -5.466 -8.086
503 HA ASN 62 HA ASN 62 7.932 -3.897 -7.832
504 HB2 ASN 62 HB2 ASN 62 6.252 -4.568 -10.265
505 HB3 ASN 62 HB3 ASN 62 7.849 -3.824 -10.333
506 HD21 ASN 62 HD21 ASN 62 7.362 -6.395 -11.503
507 HD22 ASN 62 HD22 ASN 62 8.224 -7.558 -10.617
508 H ASN 63 H ASN 63 4.659 -3.110 -8.981
509 HA ASN 63 HA ASN 63 5.194 -0.385 -9.664
510 HB2 ASN 63 HB2 ASN 63 2.626 -1.659 -8.672
511 HB3 ASN 63 HB3 ASN 63 2.742 -0.069 -9.423
512 HD21 ASN 63 HD21 ASN 63 1.198 -2.255 -10.553
513 HD22 ASN 63 HD22 ASN 63 1.914 -2.667 -12.035
514 H MET 64 H MET 64 4.246 -1.948 -6.634
515 HA MET 64 HA MET 64 3.763 0.403 -5.112
516 HB2 MET 64 HB2 MET 64 4.755 -2.345 -4.329
517 HB3 MET 64 HB3 MET 64 4.385 -1.090 -3.145
518 HG2 MET 64 HG2 MET 64 2.434 -2.091 -5.236
519 HG3 MET 64 HG3 MET 64 2.468 -2.650 -3.564
520 HE1 MET 64 HE1 MET 64 0.192 -1.760 -4.996
521 HE2 MET 64 HE2 MET 64 -0.567 -0.243 -4.522
522 HE3 MET 64 HE3 MET 64 -0.381 -1.535 -3.338
523 H SER 65 H SER 65 6.780 -1.319 -5.856
524 HA SER 65 HA SER 65 8.471 0.125 -4.073
525 HB2 SER 65 HB2 SER 65 9.183 -0.913 -6.832
526 HB3 SER 65 HB3 SER 65 10.308 -0.562 -5.523
527 HG SER 65 HG SER 65 9.863 -2.442 -4.709
528 H GLU 66 H GLU 66 7.399 0.820 -7.383
529 HA GLU 66 HA GLU 66 8.922 3.251 -7.656
530 HB2 GLU 66 HB2 GLU 66 6.411 2.289 -9.058
531 HB3 GLU 66 HB3 GLU 66 7.347 3.699 -9.545
532 HG2 GLU 66 HG2 GLU 66 9.346 2.252 -9.832
533 HG3 GLU 66 HG3 GLU 66 8.363 0.847 -9.415
534 H TYR 67 H TYR 67 5.727 2.460 -6.400
535 HA TYR 67 HA TYR 67 4.677 5.102 -6.237
536 HB2 TYR 67 HB2 TYR 67 3.218 3.213 -5.902
537 HB3 TYR 67 HB3 TYR 67 4.183 2.644 -4.539
538 HD1 TYR 67 HD2 TYR 67 1.918 5.354 -5.699
539 HD2 TYR 67 HD1 TYR 67 3.936 3.570 -2.364
540 HE1 TYR 67 HE2 TYR 67 0.591 6.759 -4.138
541 HE2 TYR 67 HE1 TYR 67 2.621 4.971 -0.808
542 HH TYR 67 HH TYR 67 0.307 6.153 -0.910
543 H LEU 68 H LEU 68 6.480 3.202 -3.790
544 HA LEU 68 HA LEU 68 6.504 5.336 -1.862
545 HB2 LEU 68 HB2 LEU 68 8.257 2.890 -2.198
546 HB3 LEU 68 HB3 LEU 68 8.338 3.971 -0.810
547 HG LEU 68 HG LEU 68 5.833 2.524 -1.711
548 HD11 LEU 68 HD11 LEU 68 6.264 0.852 -0.194
549 HD12 LEU 68 HD12 LEU 68 7.207 1.907 0.860
550 HD13 LEU 68 HD13 LEU 68 7.926 1.263 -0.616
551 HD21 LEU 68 HD21 LEU 68 4.997 4.302 -0.495
552 HD22 LEU 68 HD22 LEU 68 6.490 4.513 0.416
553 HD23 LEU 68 HD23 LEU 68 5.373 3.217 0.841
554 H THR 69 H THR 69 8.815 4.287 -4.341
555 HA THR 69 HA THR 69 10.809 6.260 -3.611
556 HB THR 69 HB THR 69 11.916 5.615 -5.687
557 HG1 THR 69 HG1 THR 69 10.852 4.724 -7.288
558 HG21 THR 69 HG21 THR 69 12.299 4.003 -4.013
559 HG22 THR 69 HG22 THR 69 11.750 3.045 -5.387
560 HG23 THR 69 HG23 THR 69 10.637 3.418 -4.071
561 H ASN 70 H ASN 70 8.173 6.147 -5.987
562 HA ASN 70 HA ASN 70 8.351 9.097 -6.206
563 HB2 ASN 70 HB2 ASN 70 8.370 7.252 -8.615
564 HB3 ASN 70 HB3 ASN 70 8.263 9.011 -8.671
565 HD21 ASN 70 HD21 ASN 70 10.467 6.948 -9.507
566 HD22 ASN 70 HD22 ASN 70 11.879 7.601 -8.826
567 H HIS 71 H HIS 71 6.319 9.946 -6.135
568 HA HIS 71 HA HIS 71 4.053 8.534 -7.344
569 HB2 HIS 71 HB2 HIS 71 2.792 8.721 -5.085
570 HB3 HIS 71 HB3 HIS 71 3.924 7.385 -5.290
571 HD1 HIS 71 HD1 HIS 71 3.110 9.997 -2.975
572 HD2 HIS 71 HD2 HIS 71 6.674 8.234 -4.238
573 HE1 HIS 71 HE1 HIS 71 4.850 10.556 -1.218
574 HE2 HIS 71 HE2 HIS 71 7.021 9.487 -1.977
575 H ALA 72 H ALA 72 2.700 10.082 -8.160
576 HA ALA 72 HA ALA 72 1.799 12.397 -6.850
577 HB1 ALA 72 HB1 ALA 72 4.422 12.733 -8.268
578 HB2 ALA 72 HB2 ALA 72 3.865 13.464 -6.763
579 HB3 ALA 72 HB3 ALA 72 3.257 14.057 -8.308
580 H LYS 73 H LYS 73 3.023 13.248 -9.945
581 HA LYS 73 HA LYS 73 0.459 13.561 -11.111
582 HB2 LYS 73 HB2 LYS 73 3.148 13.148 -12.452
583 HB3 LYS 73 HB3 LYS 73 1.689 13.692 -13.282
584 HG2 LYS 73 HG2 LYS 73 1.562 15.624 -11.704
585 HG3 LYS 73 HG3 LYS 73 3.095 15.108 -11.000
586 HD2 LYS 73 HD2 LYS 73 4.149 15.299 -13.256
587 HD3 LYS 73 HD3 LYS 73 2.625 15.937 -13.879
588 HE2 LYS 73 HE2 LYS 73 4.100 17.799 -13.329
589 HE3 LYS 73 HE3 LYS 73 2.752 17.773 -12.191
590 HZ1 LYS 73 HZ1 LYS 73 5.530 16.854 -11.748
591 HZ2 LYS 73 HZ2 LYS 73 4.255 16.423 -10.712
592 HZ3 LYS 73 HZ3 LYS 73 4.679 18.056 -10.907
593 H TYR 74 H TYR 74 2.625 10.790 -11.055
594 HA TYR 74 HA TYR 74 1.480 9.201 -13.082
595 HB2 TYR 74 HB2 TYR 74 3.415 8.307 -12.138
596 HB3 TYR 74 HB3 TYR 74 2.868 8.604 -10.489
597 HD1 TYR 74 HD2 TYR 74 1.180 6.909 -13.379
598 HD2 TYR 74 HD1 TYR 74 2.754 6.557 -9.403
599 HE1 TYR 74 HE2 TYR 74 0.299 4.594 -13.236
600 HE2 TYR 74 HE1 TYR 74 1.876 4.244 -9.253
601 HH TYR 74 HH TYR 74 0.041 2.903 -10.339
602 H ILE 75 H ILE 75 0.460 9.572 -9.690
603 HA ILE 75 HA ILE 75 -2.109 8.206 -10.421
604 HB ILE 75 HB ILE 75 -1.988 7.938 -7.713
605 HG12 ILE 75 HG12 ILE 75 0.857 7.539 -8.627
606 HG13 ILE 75 HG13 ILE 75 0.319 9.033 -7.864
607 HG21 ILE 75 HG21 ILE 75 -0.755 5.662 -8.367
608 HG22 ILE 75 HG22 ILE 75 -1.118 6.214 -10.001
609 HG23 ILE 75 HG23 ILE 75 -2.426 5.962 -8.843
610 HD11 ILE 75 HD11 ILE 75 1.260 7.469 -6.204
611 HD12 ILE 75 HD12 ILE 75 0.060 6.262 -6.667
612 HD13 ILE 75 HD13 ILE 75 -0.451 7.768 -5.904
613 HA PRO 76 HA PRO 76 -4.724 11.557 -9.231
614 HB2 PRO 76 HB2 PRO 76 -5.340 10.399 -6.598
615 HB3 PRO 76 HB3 PRO 76 -6.420 10.716 -7.962
616 HG2 PRO 76 HG2 PRO 76 -5.177 8.230 -7.177
617 HG3 PRO 76 HG3 PRO 76 -6.389 8.519 -8.434
618 HD2 PRO 76 HD2 PRO 76 -3.806 7.757 -8.972
619 HD3 PRO 76 HD3 PRO 76 -4.804 8.685 -10.107
620 H GLY 77 H GLY 77 -4.666 13.446 -7.849
621 HA2 GLY 77 HA2 GLY 77 -2.102 14.021 -6.691
622 HA3 GLY 77 HA3 GLY 77 -3.537 15.036 -6.539
623 H THR 78 H THR 78 -4.054 11.817 -5.545
624 HA THR 78 HA THR 78 -4.829 12.413 -2.930
625 HB THR 78 HB THR 78 -5.016 10.193 -4.270
626 HG1 THR 78 HG1 THR 78 -5.518 10.732 -1.929
627 HG21 THR 78 HG21 THR 78 -3.304 8.580 -3.957
628 HG22 THR 78 HG22 THR 78 -2.516 9.542 -2.705
629 HG23 THR 78 HG23 THR 78 -2.446 10.060 -4.391
630 H LYS 79 H LYS 79 -3.738 12.941 -1.095
631 HA LYS 79 HA LYS 79 -0.759 12.714 -1.134
632 HB2 LYS 79 HB2 LYS 79 -2.507 14.382 0.704
633 HB3 LYS 79 HB3 LYS 79 -0.753 14.465 0.555
634 HG2 LYS 79 HG2 LYS 79 -2.695 15.074 -1.693
635 HG3 LYS 79 HG3 LYS 79 -1.915 16.295 -0.688
636 HD2 LYS 79 HD2 LYS 79 0.312 15.227 -1.403
637 HD3 LYS 79 HD3 LYS 79 -0.622 14.385 -2.641
638 HE2 LYS 79 HE2 LYS 79 -1.510 16.634 -3.376
639 HE3 LYS 79 HE3 LYS 79 -0.337 17.377 -2.287
640 HZ1 LYS 79 HZ1 LYS 79 0.371 17.072 -4.677
641 HZ2 LYS 79 HZ2 LYS 79 0.454 15.408 -4.349
642 HZ3 LYS 79 HZ3 LYS 79 1.444 16.494 -3.497
643 H MET 80 H MET 80 0.257 11.496 0.464
644 HA MET 80 HA MET 80 -1.566 10.103 2.383
645 HB2 MET 80 HB2 MET 80 -0.374 8.768 0.505
646 HB3 MET 80 HB3 MET 80 1.093 9.024 1.445
647 HG2 MET 80 HG2 MET 80 0.437 7.589 3.110
648 HG3 MET 80 HG3 MET 80 -1.267 8.003 2.952
649 HE1 MET 80 HE1 MET 80 1.637 6.436 0.642
650 HE2 MET 80 HE2 MET 80 1.134 4.765 0.894
651 HE3 MET 80 HE3 MET 80 1.529 5.776 2.280
652 H ALA 81 H ALA 81 -1.083 10.280 4.524
653 HA ALA 81 HA ALA 81 0.909 12.167 5.398
654 HB1 ALA 81 HB1 ALA 81 0.201 10.644 7.627
655 HB2 ALA 81 HB2 ALA 81 -1.224 10.581 6.590
656 HB3 ALA 81 HB3 ALA 81 -0.570 12.139 7.098
657 H PHE 82 H PHE 82 0.948 8.696 4.936
658 HA PHE 82 HA PHE 82 3.023 7.940 6.683
659 HB2 PHE 82 HB2 PHE 82 1.694 6.405 5.167
660 HB3 PHE 82 HB3 PHE 82 2.732 6.932 3.842
661 HD1 PHE 82 HD2 PHE 82 2.695 5.242 7.147
662 HD2 PHE 82 HD1 PHE 82 4.988 6.117 3.618
663 HE1 PHE 82 HE2 PHE 82 4.417 3.604 7.858
664 HE2 PHE 82 HE1 PHE 82 6.708 4.475 4.334
665 HZ PHE 82 HZ PHE 82 6.418 3.220 6.450
666 H GLY 83 H GLY 83 3.258 9.408 3.442
667 HA2 GLY 83 HA2 GLY 83 5.066 10.510 2.424
668 HA3 GLY 83 HA3 GLY 83 5.707 10.750 4.051
669 H GLY 84 H GLY 84 7.571 9.696 4.508
670 HA2 GLY 84 HA2 GLY 84 8.247 7.273 2.881
671 HA3 GLY 84 HA3 GLY 84 9.454 8.482 3.320
672 H LEU 85 H LEU 85 9.795 5.799 4.048
673 HA LEU 85 HA LEU 85 9.099 5.736 6.943
674 HB2 LEU 85 HB2 LEU 85 8.468 3.758 5.600
675 HB3 LEU 85 HB3 LEU 85 10.153 3.542 5.133
676 HG LEU 85 HG LEU 85 10.788 3.165 7.460
677 HD11 LEU 85 HD11 LEU 85 9.415 4.431 8.834
678 HD12 LEU 85 HD12 LEU 85 8.672 2.843 9.030
679 HD13 LEU 85 HD13 LEU 85 7.958 4.021 7.929
680 HD21 LEU 85 HD21 LEU 85 10.192 1.136 6.424
681 HD22 LEU 85 HD22 LEU 85 8.487 1.577 6.337
682 HD23 LEU 85 HD23 LEU 85 9.206 1.134 7.886
683 H LYS 86 H LYS 86 10.676 6.047 8.442
684 HA LYS 86 HA LYS 86 13.255 6.996 7.749
685 HB2 LYS 86 HB2 LYS 86 12.292 5.738 10.335
686 HB3 LYS 86 HB3 LYS 86 13.808 6.621 10.155
687 HG2 LYS 86 HG2 LYS 86 12.512 8.612 9.386
688 HG3 LYS 86 HG3 LYS 86 11.021 7.728 9.708
689 HD2 LYS 86 HD2 LYS 86 11.749 7.448 12.082
690 HD3 LYS 86 HD3 LYS 86 13.154 8.456 11.735
691 HE2 LYS 86 HE2 LYS 86 11.807 10.174 12.367
692 HE3 LYS 86 HE3 LYS 86 11.121 10.007 10.751
693 HZ1 LYS 86 HZ1 LYS 86 9.231 9.202 11.568
694 HZ2 LYS 86 HZ2 LYS 86 9.756 9.764 13.084
695 HZ3 LYS 86 HZ3 LYS 86 10.022 8.147 12.635
696 H LYS 87 H LYS 87 12.159 3.716 8.569
697 HA LYS 87 HA LYS 87 14.936 2.729 8.145
698 HB2 LYS 87 HB2 LYS 87 12.487 1.193 9.061
699 HB3 LYS 87 HB3 LYS 87 14.158 0.637 9.112
700 HG2 LYS 87 HG2 LYS 87 13.107 3.051 10.618
701 HG3 LYS 87 HG3 LYS 87 13.335 1.454 11.328
702 HD2 LYS 87 HD2 LYS 87 15.770 1.621 10.519
703 HD3 LYS 87 HD3 LYS 87 15.443 3.334 10.255
704 HE2 LYS 87 HE2 LYS 87 14.834 3.629 12.592
705 HE3 LYS 87 HE3 LYS 87 15.011 1.900 12.889
706 HZ1 LYS 87 HZ1 LYS 87 17.274 2.011 12.759
707 HZ2 LYS 87 HZ2 LYS 87 16.948 3.547 13.408
708 HZ3 LYS 87 HZ3 LYS 87 17.275 3.374 11.750
709 H GLU 88 H GLU 88 15.341 2.399 6.014
710 HA GLU 88 HA GLU 88 13.336 1.880 4.035
711 HB2 GLU 88 HB2 GLU 88 15.607 2.817 3.559
712 HB3 GLU 88 HB3 GLU 88 16.293 1.226 3.894
713 HG2 GLU 88 HG2 GLU 88 16.000 1.398 1.504
714 HG3 GLU 88 HG3 GLU 88 14.770 0.289 2.110
715 H LYS 89 H LYS 89 15.426 -0.275 5.937
716 HA LYS 89 HA LYS 89 14.894 -2.680 4.528
717 HB2 LYS 89 HB2 LYS 89 16.599 -2.427 6.340
718 HB3 LYS 89 HB3 LYS 89 15.288 -2.375 7.518
719 HG2 LYS 89 HG2 LYS 89 14.531 -4.612 6.745
720 HG3 LYS 89 HG3 LYS 89 15.896 -4.668 5.629
721 HD2 LYS 89 HD2 LYS 89 17.442 -4.405 7.577
722 HD3 LYS 89 HD3 LYS 89 16.048 -4.500 8.652
723 HE2 LYS 89 HE2 LYS 89 16.424 -6.661 6.614
724 HE3 LYS 89 HE3 LYS 89 17.441 -6.677 8.054
725 HZ1 LYS 89 HZ1 LYS 89 14.547 -7.024 7.816
726 HZ2 LYS 89 HZ2 LYS 89 15.140 -6.258 9.211
727 HZ3 LYS 89 HZ3 LYS 89 15.655 -7.828 8.817
728 H ASP 90 H ASP 90 13.145 -1.213 7.268
729 HA ASP 90 HA ASP 90 11.165 -3.258 7.482
730 HB2 ASP 90 HB2 ASP 90 11.036 -0.304 8.153
731 HB3 ASP 90 HB3 ASP 90 9.819 -1.484 8.624
732 H ARG 91 H ARG 91 11.379 -0.331 5.501
733 HA ARG 91 HA ARG 91 8.752 -0.242 4.496
734 HB2 ARG 91 HB2 ARG 91 10.541 1.447 4.035
735 HB3 ARG 91 HB3 ARG 91 11.285 0.300 2.923
736 HG2 ARG 91 HG2 ARG 91 9.157 0.233 1.623
737 HG3 ARG 91 HG3 ARG 91 8.500 1.473 2.693
738 HD2 ARG 91 HD2 ARG 91 10.985 1.769 0.979
739 HD3 ARG 91 HD3 ARG 91 9.409 2.479 0.628
740 HE ARG 91 HE ARG 91 10.143 3.325 3.227
741 HH11 ARG 91 HH21 ARG 91 11.184 3.571 -0.051
742 HH12 ARG 91 HH22 ARG 91 11.900 5.135 0.154
743 HH21 ARG 91 HH11 ARG 91 11.071 5.365 3.514
744 HH22 ARG 91 HH12 ARG 91 11.836 6.151 2.173
745 H ASN 92 H ASN 92 11.507 -2.207 3.393
746 HA ASN 92 HA ASN 92 10.212 -3.357 1.130
747 HB2 ASN 92 HB2 ASN 92 12.353 -4.492 2.953
748 HB3 ASN 92 HB3 ASN 92 11.895 -5.180 1.398
749 HD21 ASN 92 HD21 ASN 92 14.550 -4.201 1.865
750 HD22 ASN 92 HD22 ASN 92 14.791 -2.831 0.894
751 H ASP 93 H ASP 93 10.325 -4.339 4.541
752 HA ASP 93 HA ASP 93 8.906 -6.795 4.238
753 HB2 ASP 93 HB2 ASP 93 9.093 -4.881 6.578
754 HB3 ASP 93 HB3 ASP 93 8.376 -6.486 6.673
755 H LEU 94 H LEU 94 7.803 -3.460 4.670
756 HA LEU 94 HA LEU 94 5.059 -3.993 5.154
757 HB2 LEU 94 HB2 LEU 94 6.637 -1.693 4.137
758 HB3 LEU 94 HB3 LEU 94 4.926 -1.693 3.717
759 HG LEU 94 HG LEU 94 5.409 -0.517 5.874
760 HD11 LEU 94 HD11 LEU 94 3.877 -2.760 6.914
761 HD12 LEU 94 HD12 LEU 94 3.384 -2.353 5.271
762 HD13 LEU 94 HD13 LEU 94 3.341 -1.123 6.534
763 HD21 LEU 94 HD21 LEU 94 7.135 -2.607 6.328
764 HD22 LEU 94 HD22 LEU 94 5.761 -3.051 7.336
765 HD23 LEU 94 HD23 LEU 94 6.562 -1.497 7.569
766 H ILE 95 H ILE 95 6.839 -3.705 2.075
767 HA ILE 95 HA ILE 95 4.599 -3.842 0.349
768 HB ILE 95 HB ILE 95 7.380 -4.966 -0.088
769 HG12 ILE 95 HG12 ILE 95 6.236 -2.242 -0.787
770 HG13 ILE 95 HG13 ILE 95 7.306 -2.550 0.581
771 HG21 ILE 95 HG21 ILE 95 5.137 -4.186 -1.963
772 HG22 ILE 95 HG22 ILE 95 5.844 -5.788 -1.757
773 HG23 ILE 95 HG23 ILE 95 6.790 -4.494 -2.491
774 HD11 ILE 95 HD11 ILE 95 7.998 -2.137 -2.185
775 HD12 ILE 95 HD12 ILE 95 8.535 -3.738 -1.675
776 HD13 ILE 95 HD13 ILE 95 9.069 -2.305 -0.794
777 H THR 96 H THR 96 6.588 -6.437 1.760
778 HA THR 96 HA THR 96 5.272 -8.615 0.479
779 HB THR 96 HB THR 96 6.411 -8.637 3.288
780 HG1 THR 96 HG1 THR 96 8.286 -8.368 2.418
781 HG21 THR 96 HG21 THR 96 5.896 -10.709 1.158
782 HG22 THR 96 HG22 THR 96 5.368 -10.712 2.841
783 HG23 THR 96 HG23 THR 96 7.066 -10.987 2.447
784 H TYR 97 H TYR 97 4.568 -6.938 3.540
785 HA TYR 97 HA TYR 97 2.392 -8.603 4.339
786 HB2 TYR 97 HB2 TYR 97 3.455 -7.008 5.875
787 HB3 TYR 97 HB3 TYR 97 2.865 -5.660 4.908
788 HD1 TYR 97 HD2 TYR 97 1.867 -8.456 7.116
789 HD2 TYR 97 HD1 TYR 97 0.561 -4.954 5.002
790 HE1 TYR 97 HE2 TYR 97 -0.285 -8.515 8.348
791 HE2 TYR 97 HE1 TYR 97 -1.591 -5.012 6.236
792 HH TYR 97 HH TYR 97 -2.886 -7.345 7.560
793 H LEU 98 H LEU 98 2.519 -5.740 2.244
794 HA LEU 98 HA LEU 98 -0.235 -5.236 1.964
795 HB2 LEU 98 HB2 LEU 98 2.171 -4.829 0.266
796 HB3 LEU 98 HB3 LEU 98 0.623 -4.777 -0.565
797 HG LEU 98 HG LEU 98 1.598 -2.565 0.396
798 HD11 LEU 98 HD11 LEU 98 -0.670 -1.755 0.893
799 HD12 LEU 98 HD12 LEU 98 -1.240 -3.419 1.026
800 HD13 LEU 98 HD13 LEU 98 -0.665 -2.803 -0.523
801 HD21 LEU 98 HD21 LEU 98 0.146 -3.229 2.909
802 HD22 LEU 98 HD22 LEU 98 1.530 -2.170 2.652
803 HD23 LEU 98 HD23 LEU 98 1.762 -3.911 2.732
804 H LYS 99 H LYS 99 1.782 -7.584 0.203
805 HA LYS 99 HA LYS 99 -0.257 -8.554 -1.526
806 HB2 LYS 99 HB2 LYS 99 2.168 -9.127 -1.736
807 HB3 LYS 99 HB3 LYS 99 2.017 -10.147 -0.304
808 HG2 LYS 99 HG2 LYS 99 0.349 -11.540 -1.430
809 HG3 LYS 99 HG3 LYS 99 0.391 -10.484 -2.841
810 HD2 LYS 99 HD2 LYS 99 1.781 -12.437 -3.277
811 HD3 LYS 99 HD3 LYS 99 2.813 -11.017 -3.126
812 HE2 LYS 99 HE2 LYS 99 3.506 -13.181 -1.861
813 HE3 LYS 99 HE3 LYS 99 3.584 -11.649 -0.994
814 HZ1 LYS 99 HZ1 LYS 99 1.380 -12.116 -0.085
815 HZ2 LYS 99 HZ2 LYS 99 2.498 -13.321 0.341
816 HZ3 LYS 99 HZ3 LYS 99 1.357 -13.611 -0.884
817 H LYS 100 H LYS 100 0.673 -9.542 1.765
818 HA LYS 100 HA LYS 100 -1.151 -11.723 1.979
819 HB2 LYS 100 HB2 LYS 100 0.710 -11.241 3.590
820 HB3 LYS 100 HB3 LYS 100 -0.243 -9.895 4.218
821 HG2 LYS 100 HG2 LYS 100 -2.041 -11.411 4.861
822 HG3 LYS 100 HG3 LYS 100 -1.193 -12.773 4.130
823 HD2 LYS 100 HD2 LYS 100 -0.779 -12.844 6.510
824 HD3 LYS 100 HD3 LYS 100 0.715 -12.340 5.719
825 HE2 LYS 100 HE2 LYS 100 0.460 -10.102 6.386
826 HE3 LYS 100 HE3 LYS 100 -1.265 -10.292 6.697
827 HZ1 LYS 100 HZ1 LYS 100 1.022 -11.063 8.351
828 HZ2 LYS 100 HZ2 LYS 100 -0.367 -12.040 8.414
829 HZ3 LYS 100 HZ3 LYS 100 -0.467 -10.390 8.808
830 H ALA 101 H ALA 101 -1.584 -8.245 2.421
831 HA ALA 101 HA ALA 101 -4.094 -8.298 3.743
832 HB1 ALA 101 HB1 ALA 101 -4.041 -6.165 1.813
833 HB2 ALA 101 HB2 ALA 101 -2.438 -6.341 2.526
834 HB3 ALA 101 HB3 ALA 101 -3.839 -6.069 3.563
835 H THR 102 H THR 102 -3.311 -8.534 0.273
836 HA THR 102 HA THR 102 -6.073 -8.495 -0.574
837 HB THR 102 HB THR 102 -3.743 -8.308 -1.924
838 HG1 THR 102 HG1 THR 102 -5.556 -7.721 -2.931
839 HG21 THR 102 HG21 THR 102 -3.391 -10.812 -1.483
840 HG22 THR 102 HG22 THR 102 -3.240 -10.279 -3.156
841 HG23 THR 102 HG23 THR 102 -4.713 -11.084 -2.618
842 H GLU 103 H GLU 103 -3.913 -11.017 0.570
843 HA GLU 103 HA GLU 103 -4.301 -13.296 0.986
844 HB2 GLU 103 HB2 GLU 103 -5.986 -12.232 2.506
845 HB3 GLU 103 HB3 GLU 103 -7.178 -12.366 1.213
846 HG2 GLU 103 HG2 GLU 103 -6.797 -14.830 1.164
847 HG3 GLU 103 HG3 GLU 103 -5.700 -14.660 2.535
848 HHA HEC 104 HA HEC 104 -3.944 4.633 -2.114
849 HHB HEC 104 HB HEC 104 0.419 1.338 0.997
850 HHC HEC 104 HC HEC 104 -0.743 4.761 6.231
851 HHD HEC 104 HD HEC 104 -5.114 8.039 3.077
852 HMA1 HEC 104 1HMA HEC 104 0.491 0.918 -1.782
853 HMA2 HEC 104 2HMA HEC 104 -1.105 0.376 -2.308
854 HMA3 HEC 104 3HMA HEC 104 -0.569 0.067 -0.657
855 HAA1 HEC 104 1HAA HEC 104 -1.439 2.180 -3.668
856 HAA2 HEC 104 2HAA HEC 104 -3.065 2.835 -3.550
857 HBA1 HEC 104 1HBA HEC 104 -0.587 4.183 -4.226
858 HBA2 HEC 104 2HBA HEC 104 -1.395 4.977 -2.874
859 HMB1 HEC 104 1HMB HEC 104 2.173 0.699 4.123
860 HMB2 HEC 104 2HMB HEC 104 1.929 0.837 2.398
861 HMB3 HEC 104 3HMB HEC 104 2.829 2.081 3.253
862 HAB HEC 104 HAB HEC 104 0.495 3.125 6.820
863 HBB1 HEC 104 1HBB HEC 104 2.807 2.420 5.491
864 HBB2 HEC 104 2HBB HEC 104 2.349 0.924 6.302
865 HBB3 HEC 104 3HBB HEC 104 2.581 2.398 7.235
866 HMC1 HEC 104 1HMC HEC 104 -0.871 7.028 6.934
867 HMC2 HEC 104 2HMC HEC 104 -2.241 6.472 7.896
868 HMC3 HEC 104 3HMC HEC 104 -2.222 8.115 7.256
869 HAC HEC 104 HAC HEC 104 -5.634 7.910 5.262
870 HBC1 HEC 104 1HBC HEC 104 -3.427 9.711 5.517
871 HBC2 HEC 104 2HBC HEC 104 -5.146 10.099 5.463
872 HBC3 HEC 104 3HBC HEC 104 -4.361 9.782 7.011
873 HMD1 HEC 104 1HMD HEC 104 -6.186 8.909 -0.506
874 HMD2 HEC 104 2HMD HEC 104 -5.296 9.336 0.957
875 HMD3 HEC 104 3HMD HEC 104 -6.884 8.579 1.080
876 HAD1 HEC 104 1HAD HEC 104 -6.939 6.957 -1.553
877 HAD2 HEC 104 2HAD HEC 104 -6.325 5.345 -1.888
878 HBD1 HEC 104 1HBD HEC 104 -5.571 7.958 -3.120
879 HBD2 HEC 104 2HBD HEC 104 -4.326 6.716 -2.984
Start of MODEL 19
1 H1 THR -5 H1 THR -5 14.036 -4.836 -9.155
2 H2 THR -5 H2 THR -5 13.504 -4.220 -7.664
3 H3 THR -5 H3 THR -5 12.608 -5.427 -8.456
4 HA THR -5 HA THR -5 13.716 -6.973 -7.355
5 HB THR -5 HB THR -5 16.222 -5.720 -8.515
6 HG1 THR -5 HG1 THR -5 15.159 -6.188 -10.286
7 HG21 THR -5 HG21 THR -5 15.534 -8.362 -7.267
8 HG22 THR -5 HG22 THR -5 16.953 -7.346 -7.013
9 HG23 THR -5 HG23 THR -5 16.795 -8.283 -8.499
10 H GLU -4 H GLU -4 14.327 -3.709 -6.711
11 HA GLU -4 HA GLU -4 16.268 -3.867 -4.626
12 HB2 GLU -4 HB2 GLU -4 13.943 -1.949 -4.985
13 HB3 GLU -4 HB3 GLU -4 15.267 -1.718 -3.841
14 HG2 GLU -4 HG2 GLU -4 16.880 -1.785 -5.733
15 HG3 GLU -4 HG3 GLU -4 15.527 -1.928 -6.856
16 H PHE -3 H PHE -3 12.812 -4.515 -4.685
17 HA PHE -3 HA PHE -3 12.820 -4.939 -1.744
18 HB2 PHE -3 HB2 PHE -3 10.916 -3.702 -2.350
19 HB3 PHE -3 HB3 PHE -3 10.671 -4.628 -3.829
20 HD1 PHE -3 HD2 PHE -3 11.287 -5.838 -0.336
21 HD2 PHE -3 HD1 PHE -3 8.534 -5.571 -3.623
22 HE1 PHE -3 HE2 PHE -3 9.720 -7.342 0.853
23 HE2 PHE -3 HE1 PHE -3 6.966 -7.074 -2.431
24 HZ PHE -3 HZ PHE -3 7.557 -7.958 -0.194
25 H LYS -2 H LYS -2 13.087 -6.977 -0.978
26 HA LYS -2 HA LYS -2 12.933 -9.240 -2.875
27 HB2 LYS -2 HB2 LYS -2 13.931 -9.074 -0.018
28 HB3 LYS -2 HB3 LYS -2 13.989 -10.525 -1.020
29 HG2 LYS -2 HG2 LYS -2 15.350 -9.267 -2.694
30 HG3 LYS -2 HG3 LYS -2 15.370 -7.888 -1.593
31 HD2 LYS -2 HD2 LYS -2 16.412 -9.348 0.148
32 HD3 LYS -2 HD3 LYS -2 16.493 -10.649 -1.040
33 HE2 LYS -2 HE2 LYS -2 17.648 -8.644 -2.456
34 HE3 LYS -2 HE3 LYS -2 18.128 -8.185 -0.822
35 HZ1 LYS -2 HZ1 LYS -2 18.893 -10.516 -0.523
36 HZ2 LYS -2 HZ2 LYS -2 19.773 -9.641 -1.683
37 HZ3 LYS -2 HZ3 LYS -2 18.611 -10.780 -2.173
38 H ALA -1 H ALA -1 12.092 -9.096 0.576
39 HA ALA -1 HA ALA -1 9.282 -9.492 0.260
40 HB1 ALA -1 HB1 ALA -1 10.985 -11.980 0.493
41 HB2 ALA -1 HB2 ALA -1 9.720 -11.636 -0.686
42 HB3 ALA -1 HB3 ALA -1 9.296 -11.951 0.997
43 H GLY 1 H GLY 1 10.740 -11.700 2.461
44 HA2 GLY 1 HA2 GLY 1 11.639 -11.036 4.697
45 HA3 GLY 1 HA3 GLY 1 10.499 -9.690 4.667
46 H SER 2 H SER 2 9.575 -10.484 6.677
47 HA SER 2 HA SER 2 7.942 -12.972 6.344
48 HB2 SER 2 HB2 SER 2 9.609 -13.005 8.208
49 HB3 SER 2 HB3 SER 2 8.801 -11.608 8.914
50 HG SER 2 HG SER 2 7.802 -14.227 8.502
51 H ALA 3 H ALA 3 5.744 -12.754 6.434
52 HA ALA 3 HA ALA 3 4.558 -10.136 6.355
53 HB1 ALA 3 HB1 ALA 3 2.399 -11.378 6.415
54 HB2 ALA 3 HB2 ALA 3 3.290 -12.861 6.753
55 HB3 ALA 3 HB3 ALA 3 3.515 -12.029 5.214
56 H LYS 4 H LYS 4 4.965 -12.533 8.919
57 HA LYS 4 HA LYS 4 3.185 -11.425 10.833
58 HB2 LYS 4 HB2 LYS 4 5.874 -12.710 11.384
59 HB3 LYS 4 HB3 LYS 4 4.497 -12.625 12.481
60 HG2 LYS 4 HG2 LYS 4 3.164 -13.910 10.764
61 HG3 LYS 4 HG3 LYS 4 4.673 -14.149 9.882
62 HD2 LYS 4 HD2 LYS 4 4.191 -14.990 12.757
63 HD3 LYS 4 HD3 LYS 4 4.156 -16.075 11.367
64 HE2 LYS 4 HE2 LYS 4 6.559 -14.867 10.976
65 HE3 LYS 4 HE3 LYS 4 6.473 -14.837 12.737
66 HZ1 LYS 4 HZ1 LYS 4 7.400 -16.887 12.312
67 HZ2 LYS 4 HZ2 LYS 4 6.465 -17.153 10.918
68 HZ3 LYS 4 HZ3 LYS 4 5.757 -17.282 12.457
69 H LYS 5 H LYS 5 6.667 -10.856 10.375
70 HA LYS 5 HA LYS 5 6.897 -8.822 12.368
71 HB2 LYS 5 HB2 LYS 5 8.519 -9.320 9.857
72 HB3 LYS 5 HB3 LYS 5 8.982 -8.198 11.133
73 HG2 LYS 5 HG2 LYS 5 8.904 -10.084 12.768
74 HG3 LYS 5 HG3 LYS 5 8.573 -11.184 11.430
75 HD2 LYS 5 HD2 LYS 5 10.701 -10.462 10.352
76 HD3 LYS 5 HD3 LYS 5 11.045 -9.458 11.761
77 HE2 LYS 5 HE2 LYS 5 10.353 -12.266 12.375
78 HE3 LYS 5 HE3 LYS 5 11.871 -12.047 11.503
79 HZ1 LYS 5 HZ1 LYS 5 12.810 -10.947 13.221
80 HZ2 LYS 5 HZ2 LYS 5 11.700 -11.862 14.125
81 HZ3 LYS 5 HZ3 LYS 5 11.354 -10.245 13.735
82 H GLY 6 H GLY 6 6.243 -8.640 8.873
83 HA2 GLY 6 HA2 GLY 6 6.221 -5.785 8.705
84 HA3 GLY 6 HA3 GLY 6 5.412 -6.872 7.576
85 H ALA 7 H ALA 7 3.736 -8.146 9.573
86 HA ALA 7 HA ALA 7 1.488 -6.404 9.507
87 HB1 ALA 7 HB1 ALA 7 1.513 -8.377 11.700
88 HB2 ALA 7 HB2 ALA 7 1.868 -9.050 10.109
89 HB3 ALA 7 HB3 ALA 7 0.360 -8.176 10.381
90 H THR 8 H THR 8 3.886 -7.018 12.057
91 HA THR 8 HA THR 8 2.624 -5.526 14.125
92 HB THR 8 HB THR 8 4.807 -5.446 15.153
93 HG1 THR 8 HG1 THR 8 5.846 -4.716 13.187
94 HG21 THR 8 HG21 THR 8 5.452 -7.937 13.911
95 HG22 THR 8 HG22 THR 8 3.698 -7.812 14.030
96 HG23 THR 8 HG23 THR 8 4.693 -7.664 15.479
97 H LEU 9 H LEU 9 4.987 -4.557 11.670
98 HA LEU 9 HA LEU 9 5.194 -1.806 12.379
99 HB2 LEU 9 HB2 LEU 9 6.592 -3.137 10.700
100 HB3 LEU 9 HB3 LEU 9 5.277 -2.871 9.561
101 HG LEU 9 HG LEU 9 5.525 -0.359 10.290
102 HD11 LEU 9 HD11 LEU 9 7.137 -0.648 12.067
103 HD12 LEU 9 HD12 LEU 9 7.964 0.148 10.729
104 HD13 LEU 9 HD13 LEU 9 8.208 -1.574 11.014
105 HD21 LEU 9 HD21 LEU 9 7.558 -0.299 8.580
106 HD22 LEU 9 HD22 LEU 9 5.938 -0.755 8.052
107 HD23 LEU 9 HD23 LEU 9 7.140 -2.002 8.387
108 H PHE 10 H PHE 10 3.040 -3.481 10.125
109 HA PHE 10 HA PHE 10 1.612 -1.207 9.172
110 HB2 PHE 10 HB2 PHE 10 1.562 -3.580 8.255
111 HB3 PHE 10 HB3 PHE 10 0.490 -3.996 9.588
112 HD1 PHE 10 HD2 PHE 10 -1.795 -3.059 9.715
113 HD2 PHE 10 HD1 PHE 10 0.815 -2.196 6.416
114 HE1 PHE 10 HE2 PHE 10 -3.726 -2.217 8.404
115 HE2 PHE 10 HE1 PHE 10 -1.113 -1.350 5.107
116 HZ PHE 10 HZ PHE 10 -3.386 -1.361 6.098
117 H LYS 11 H LYS 11 0.882 -3.416 11.889
118 HA LYS 11 HA LYS 11 -1.539 -2.153 12.670
119 HB2 LYS 11 HB2 LYS 11 0.441 -3.818 14.228
120 HB3 LYS 11 HB3 LYS 11 -1.118 -3.304 14.869
121 HG2 LYS 11 HG2 LYS 11 -2.243 -4.405 12.938
122 HG3 LYS 11 HG3 LYS 11 -0.674 -4.992 12.392
123 HD2 LYS 11 HD2 LYS 11 -0.387 -6.150 14.585
124 HD3 LYS 11 HD3 LYS 11 -2.016 -5.640 15.032
125 HE2 LYS 11 HE2 LYS 11 -3.028 -7.017 13.434
126 HE3 LYS 11 HE3 LYS 11 -1.568 -7.114 12.451
127 HZ1 LYS 11 HZ1 LYS 11 -2.143 -9.143 13.803
128 HZ2 LYS 11 HZ2 LYS 11 -1.719 -8.245 15.182
129 HZ3 LYS 11 HZ3 LYS 11 -0.560 -8.557 13.980
130 H THR 12 H THR 12 1.821 -1.444 13.565
131 HA THR 12 HA THR 12 0.826 0.619 15.460
132 HB THR 12 HB THR 12 2.587 -0.830 16.310
133 HG1 THR 12 HG1 THR 12 3.796 0.777 17.082
134 HG21 THR 12 HG21 THR 12 3.581 -0.566 13.650
135 HG22 THR 12 HG22 THR 12 4.193 -1.598 14.944
136 HG23 THR 12 HG23 THR 12 4.817 0.041 14.752
137 H ARG 13 H ARG 13 1.720 0.452 12.222
138 HA ARG 13 HA ARG 13 2.190 3.396 12.231
139 HB2 ARG 13 HB2 ARG 13 3.802 1.376 10.646
140 HB3 ARG 13 HB3 ARG 13 3.948 3.125 10.520
141 HG2 ARG 13 HG2 ARG 13 4.458 3.169 13.000
142 HG3 ARG 13 HG3 ARG 13 4.541 1.410 12.942
143 HD2 ARG 13 HD2 ARG 13 6.792 2.231 12.688
144 HD3 ARG 13 HD3 ARG 13 6.269 1.636 11.112
145 HE ARG 13 HE ARG 13 6.350 3.856 10.302
146 HH11 ARG 13 HH21 ARG 13 6.434 3.701 13.744
147 HH12 ARG 13 HH22 ARG 13 6.776 5.387 13.945
148 HH21 ARG 13 HH11 ARG 13 6.795 6.059 10.542
149 HH22 ARG 13 HH12 ARG 13 6.979 6.723 12.131
150 H CYS 14 H CYS 14 0.074 1.188 11.351
151 HA CYS 14 HA CYS 14 -0.958 2.741 9.147
152 HB2 CYS 14 HB2 CYS 14 1.072 1.297 8.280
153 HB3 CYS 14 HB3 CYS 14 -0.123 0.003 8.269
154 H LEU 15 H LEU 15 -2.671 2.428 10.855
155 HA LEU 15 HA LEU 15 -4.332 0.104 10.101
156 HB2 LEU 15 HB2 LEU 15 -4.828 -0.453 12.456
157 HB3 LEU 15 HB3 LEU 15 -3.126 -0.686 12.082
158 HG LEU 15 HG LEU 15 -4.266 1.794 13.400
159 HD11 LEU 15 HD11 LEU 15 -3.187 -0.786 14.453
160 HD12 LEU 15 HD12 LEU 15 -4.448 0.257 15.114
161 HD13 LEU 15 HD13 LEU 15 -2.750 0.695 15.306
162 HD21 LEU 15 HD21 LEU 15 -2.270 2.577 12.563
163 HD22 LEU 15 HD22 LEU 15 -1.576 0.961 12.422
164 HD23 LEU 15 HD23 LEU 15 -1.627 1.768 13.989
165 H GLN 16 H GLN 16 -3.997 3.202 11.742
166 HA GLN 16 HA GLN 16 -6.771 3.652 12.270
167 HB2 GLN 16 HB2 GLN 16 -6.144 6.028 12.416
168 HB3 GLN 16 HB3 GLN 16 -4.953 5.026 13.245
169 HG2 GLN 16 HG2 GLN 16 -3.507 5.089 11.241
170 HG3 GLN 16 HG3 GLN 16 -4.689 6.110 10.422
171 HE21 GLN 16 HE21 GLN 16 -4.741 8.354 10.966
172 HE22 GLN 16 HE22 GLN 16 -3.665 9.065 12.069
173 H CYS 17 H CYS 17 -4.782 4.107 9.391
174 HA CYS 17 HA CYS 17 -6.980 5.456 7.962
175 HB2 CYS 17 HB2 CYS 17 -4.196 4.606 7.133
176 HB3 CYS 17 HB3 CYS 17 -5.339 5.394 6.046
177 H HIS 18 H HIS 18 -4.973 3.073 6.376
178 HA HIS 18 HA HIS 18 -7.084 1.868 4.957
179 HB2 HIS 18 HB2 HIS 18 -4.400 0.730 5.781
180 HB3 HIS 18 HB3 HIS 18 -5.499 -0.085 4.668
181 HD1 HIS 18 HD1 HIS 18 -5.819 0.962 2.314
182 HD2 HIS 18 HD2 HIS 18 -3.157 3.066 4.733
183 HE1 HIS 18 HE1 HIS 18 -4.640 2.630 0.805
184 H THR 19 H THR 19 -5.764 1.040 8.136
185 HA THR 19 HA THR 19 -6.484 -0.594 9.686
186 HB THR 19 HB THR 19 -9.288 -0.022 8.804
187 HG1 THR 19 HG1 THR 19 -7.848 1.920 8.709
188 HG21 THR 19 HG21 THR 19 -9.776 -0.399 11.014
189 HG22 THR 19 HG22 THR 19 -8.270 0.324 11.578
190 HG23 THR 19 HG23 THR 19 -8.271 -1.316 10.926
191 H VAL 20 H VAL 20 -5.663 -2.006 7.587
192 HA VAL 20 HA VAL 20 -7.467 -3.458 6.024
193 HB VAL 20 HB VAL 20 -4.891 -4.337 7.333
194 HG11 VAL 20 HG11 VAL 20 -5.541 -6.437 6.780
195 HG12 VAL 20 HG12 VAL 20 -5.248 -5.927 5.117
196 HG13 VAL 20 HG13 VAL 20 -6.878 -5.852 5.787
197 HG21 VAL 20 HG21 VAL 20 -5.254 -2.487 5.399
198 HG22 VAL 20 HG22 VAL 20 -5.201 -3.943 4.404
199 HG23 VAL 20 HG23 VAL 20 -3.842 -3.543 5.454
200 H GLU 21 H GLU 21 -6.417 -4.126 9.357
201 HA GLU 21 HA GLU 21 -7.169 -5.847 10.834
202 HB2 GLU 21 HB2 GLU 21 -8.624 -3.717 11.007
203 HB3 GLU 21 HB3 GLU 21 -9.846 -4.640 10.134
204 HG2 GLU 21 HG2 GLU 21 -9.708 -6.415 11.887
205 HG3 GLU 21 HG3 GLU 21 -8.569 -5.407 12.775
206 H LYS 22 H LYS 22 -7.043 -6.796 8.052
207 HA LYS 22 HA LYS 22 -7.787 -8.629 6.794
208 HB2 LYS 22 HB2 LYS 22 -9.221 -9.447 9.326
209 HB3 LYS 22 HB3 LYS 22 -8.703 -10.490 8.002
210 HG2 LYS 22 HG2 LYS 22 -6.875 -8.908 9.829
211 HG3 LYS 22 HG3 LYS 22 -7.127 -10.648 9.865
212 HD2 LYS 22 HD2 LYS 22 -6.363 -10.660 7.416
213 HD3 LYS 22 HD3 LYS 22 -5.795 -9.015 7.708
214 HE2 LYS 22 HE2 LYS 22 -3.925 -10.425 8.135
215 HE3 LYS 22 HE3 LYS 22 -4.535 -9.935 9.716
216 HZ1 LYS 22 HZ1 LYS 22 -4.572 -12.111 10.142
217 HZ2 LYS 22 HZ2 LYS 22 -4.461 -12.545 8.503
218 HZ3 LYS 22 HZ3 LYS 22 -5.970 -12.158 9.182
219 H GLY 23 H GLY 23 -9.209 -6.384 6.303
220 HA2 GLY 23 HA2 GLY 23 -11.213 -6.053 5.013
221 HA3 GLY 23 HA3 GLY 23 -11.910 -7.481 5.774
222 H GLY 24 H GLY 24 -10.607 -4.332 6.890
223 HA2 GLY 24 HA2 GLY 24 -12.937 -4.169 8.755
224 HA3 GLY 24 HA3 GLY 24 -11.388 -3.373 9.029
225 HA PRO 25 HA PRO 25 -14.679 -0.470 7.120
226 HB2 PRO 25 HB2 PRO 25 -13.424 1.238 9.219
227 HB3 PRO 25 HB3 PRO 25 -15.129 1.089 8.756
228 HG2 PRO 25 HG2 PRO 25 -14.168 -0.014 10.992
229 HG3 PRO 25 HG3 PRO 25 -15.459 -0.770 10.045
230 HD2 PRO 25 HD2 PRO 25 -12.601 -1.566 10.294
231 HD3 PRO 25 HD3 PRO 25 -14.028 -2.566 9.945
232 H HIS 26 H HIS 26 -14.136 1.101 5.587
233 HA HIS 26 HA HIS 26 -11.332 1.295 4.835
234 HB2 HIS 26 HB2 HIS 26 -13.791 2.705 3.765
235 HB3 HIS 26 HB3 HIS 26 -12.188 2.788 3.037
236 HD1 HIS 26 HD1 HIS 26 -11.157 0.116 2.757
237 HD2 HIS 26 HD2 HIS 26 -15.268 0.759 2.512
238 HE1 HIS 26 HE1 HIS 26 -12.121 -1.878 1.522
239 HE2 HIS 26 HE2 HIS 26 -14.625 -1.499 1.374
240 H LYS 27 H LYS 27 -13.496 3.234 6.755
241 HA LYS 27 HA LYS 27 -13.221 5.394 7.664
242 HB2 LYS 27 HB2 LYS 27 -10.368 4.355 7.704
243 HB3 LYS 27 HB3 LYS 27 -10.931 5.771 8.594
244 HG2 LYS 27 HG2 LYS 27 -12.619 4.321 9.738
245 HG3 LYS 27 HG3 LYS 27 -11.906 2.923 8.933
246 HD2 LYS 27 HD2 LYS 27 -9.710 3.490 9.971
247 HD3 LYS 27 HD3 LYS 27 -10.497 4.801 10.849
248 HE2 LYS 27 HE2 LYS 27 -12.161 2.864 11.577
249 HE3 LYS 27 HE3 LYS 27 -10.767 1.844 11.220
250 HZ1 LYS 27 HZ1 LYS 27 -9.824 2.472 13.104
251 HZ2 LYS 27 HZ2 LYS 27 -11.221 3.354 13.501
252 HZ3 LYS 27 HZ3 LYS 27 -9.940 4.109 12.678
253 H VAL 28 H VAL 28 -10.195 6.418 7.027
254 HA VAL 28 HA VAL 28 -11.129 8.119 4.822
255 HB VAL 28 HB VAL 28 -9.679 8.845 6.843
256 HG11 VAL 28 HG11 VAL 28 -7.320 8.544 6.656
257 HG12 VAL 28 HG12 VAL 28 -7.459 7.905 5.019
258 HG13 VAL 28 HG13 VAL 28 -8.022 6.948 6.390
259 HG21 VAL 28 HG21 VAL 28 -9.376 9.569 3.958
260 HG22 VAL 28 HG22 VAL 28 -8.242 10.279 5.107
261 HG23 VAL 28 HG23 VAL 28 -9.975 10.543 5.301
262 H GLY 29 H GLY 29 -8.594 5.634 5.277
263 HA2 GLY 29 HA2 GLY 29 -8.071 5.770 2.343
264 HA3 GLY 29 HA3 GLY 29 -6.973 5.065 3.530
265 HA PRO 30 HA PRO 30 -10.153 1.982 1.507
266 HB2 PRO 30 HB2 PRO 30 -8.207 0.731 -0.098
267 HB3 PRO 30 HB3 PRO 30 -9.503 1.804 -0.654
268 HG2 PRO 30 HG2 PRO 30 -6.645 2.360 -0.240
269 HG3 PRO 30 HG3 PRO 30 -7.807 3.131 -1.330
270 HD2 PRO 30 HD2 PRO 30 -6.874 4.311 0.970
271 HD3 PRO 30 HD3 PRO 30 -8.452 4.685 0.244
272 H ASN 31 H ASN 31 -10.199 -0.236 2.108
273 HA ASN 31 HA ASN 31 -8.776 -0.978 4.426
274 HB2 ASN 31 HB2 ASN 31 -10.913 -2.019 3.462
275 HB3 ASN 31 HB3 ASN 31 -9.849 -2.978 2.433
276 HD21 ASN 31 HD21 ASN 31 -9.444 -4.994 3.341
277 HD22 ASN 31 HD22 ASN 31 -9.294 -5.308 5.001
278 H LEU 32 H LEU 32 -7.873 -1.245 1.068
279 HA LEU 32 HA LEU 32 -5.829 -1.866 0.101
280 HB2 LEU 32 HB2 LEU 32 -4.993 -0.710 2.317
281 HB3 LEU 32 HB3 LEU 32 -4.671 -2.359 2.840
282 HG LEU 32 HG LEU 32 -3.272 -2.721 0.823
283 HD11 LEU 32 HD11 LEU 32 -3.803 -1.329 -0.896
284 HD12 LEU 32 HD12 LEU 32 -2.680 -0.215 -0.121
285 HD13 LEU 32 HD13 LEU 32 -4.412 -0.071 0.178
286 HD21 LEU 32 HD21 LEU 32 -1.404 -1.308 1.505
287 HD22 LEU 32 HD22 LEU 32 -2.272 -1.846 2.946
288 HD23 LEU 32 HD23 LEU 32 -2.500 -0.205 2.335
289 H HIS 33 H HIS 33 -7.583 -3.770 -0.049
290 HA HIS 33 HA HIS 33 -6.100 -6.239 0.711
291 HB2 HIS 33 HB2 HIS 33 -8.507 -5.384 1.909
292 HB3 HIS 33 HB3 HIS 33 -8.958 -6.674 0.795
293 HD1 HIS 33 HD1 HIS 33 -6.305 -6.050 3.474
294 HD2 HIS 33 HD2 HIS 33 -8.531 -9.180 1.852
295 HE1 HIS 33 HE1 HIS 33 -5.719 -8.119 4.817
296 HE2 HIS 33 HE2 HIS 33 -7.081 -10.027 3.848
297 H GLY 34 H GLY 34 -7.416 -4.406 -1.717
298 HA2 GLY 34 HA2 GLY 34 -7.656 -6.809 -3.464
299 HA3 GLY 34 HA3 GLY 34 -8.930 -5.594 -3.500
300 H ILE 35 H ILE 35 -6.000 -4.036 -2.950
301 HA ILE 35 HA ILE 35 -6.028 -2.707 -5.469
302 HB ILE 35 HB ILE 35 -3.779 -3.020 -3.450
303 HG12 ILE 35 HG12 ILE 35 -6.054 -1.103 -3.864
304 HG13 ILE 35 HG13 ILE 35 -5.455 -1.814 -2.368
305 HG21 ILE 35 HG21 ILE 35 -3.988 -0.902 -5.604
306 HG22 ILE 35 HG22 ILE 35 -3.045 -2.373 -5.826
307 HG23 ILE 35 HG23 ILE 35 -2.617 -1.243 -4.549
308 HD11 ILE 35 HD11 ILE 35 -4.366 0.514 -3.927
309 HD12 ILE 35 HD12 ILE 35 -3.281 -0.432 -2.909
310 HD13 ILE 35 HD13 ILE 35 -4.673 0.382 -2.195
311 H PHE 36 H PHE 36 -4.539 -5.714 -4.459
312 HA PHE 36 HA PHE 36 -3.085 -5.873 -7.056
313 HB2 PHE 36 HB2 PHE 36 -3.019 -7.743 -4.667
314 HB3 PHE 36 HB3 PHE 36 -1.983 -7.846 -6.088
315 HD1 PHE 36 HD1 PHE 36 -0.292 -6.076 -6.542
316 HD2 PHE 36 HD2 PHE 36 -2.629 -6.120 -2.939
317 HE1 PHE 36 HE1 PHE 36 1.294 -4.483 -5.493
318 HE2 PHE 36 HE2 PHE 36 -1.045 -4.527 -1.890
319 HZ PHE 36 HZ PHE 36 0.916 -3.710 -3.166
320 H GLY 37 H GLY 37 -3.851 -7.175 -8.687
321 HA2 GLY 37 HA2 GLY 37 -4.945 -9.544 -8.944
322 HA3 GLY 37 HA3 GLY 37 -6.291 -8.783 -8.098
323 H ARG 38 H ARG 38 -7.016 -6.628 -9.169
324 HA ARG 38 HA ARG 38 -7.184 -7.115 -12.102
325 HB2 ARG 38 HB2 ARG 38 -8.967 -5.566 -10.207
326 HB3 ARG 38 HB3 ARG 38 -9.180 -5.577 -11.956
327 HG2 ARG 38 HG2 ARG 38 -9.030 -8.158 -10.407
328 HG3 ARG 38 HG3 ARG 38 -10.550 -7.277 -10.543
329 HD2 ARG 38 HD2 ARG 38 -10.212 -7.282 -13.055
330 HD3 ARG 38 HD3 ARG 38 -8.870 -8.395 -12.806
331 HE ARG 38 HE ARG 38 -10.876 -9.671 -11.481
332 HH11 ARG 38 HH21 ARG 38 -10.668 -8.116 -14.550
333 HH12 ARG 38 HH22 ARG 38 -11.847 -9.140 -15.299
334 HH21 ARG 38 HH11 ARG 38 -12.419 -11.017 -12.438
335 HH22 ARG 38 HH12 ARG 38 -12.839 -10.783 -14.103
336 H HIS 39 H HIS 39 -7.750 -4.797 -13.193
337 HA HIS 39 HA HIS 39 -5.334 -3.380 -13.360
338 HB2 HIS 39 HB2 HIS 39 -7.683 -1.691 -13.823
339 HB3 HIS 39 HB3 HIS 39 -6.416 -2.192 -14.944
340 HD1 HIS 39 HD1 HIS 39 -9.906 -2.828 -14.073
341 HD2 HIS 39 HD2 HIS 39 -6.853 -4.966 -15.944
342 HE1 HIS 39 HE1 HIS 39 -11.020 -4.749 -15.297
343 HE2 HIS 39 HE2 HIS 39 -9.170 -6.055 -16.440
344 H SER 40 H SER 40 -5.956 -0.656 -13.019
345 HA SER 40 HA SER 40 -5.323 -0.282 -10.266
346 HB2 SER 40 HB2 SER 40 -5.748 2.122 -10.748
347 HB3 SER 40 HB3 SER 40 -4.701 1.368 -11.941
348 HG SER 40 HG SER 40 -7.292 2.331 -12.162
349 H GLY 41 H GLY 41 -6.642 0.856 -8.656
350 HA2 GLY 41 HA2 GLY 41 -8.588 1.090 -7.386
351 HA3 GLY 41 HA3 GLY 41 -9.441 1.294 -8.912
352 H GLN 42 H GLN 42 -9.421 -0.563 -6.221
353 HA GLN 42 HA GLN 42 -10.850 -2.754 -7.612
354 HB2 GLN 42 HB2 GLN 42 -8.294 -3.072 -6.056
355 HB3 GLN 42 HB3 GLN 42 -9.495 -4.358 -6.009
356 HG2 GLN 42 HG2 GLN 42 -8.730 -5.115 -7.982
357 HG3 GLN 42 HG3 GLN 42 -9.190 -3.599 -8.746
358 HE21 GLN 42 HE21 GLN 42 -7.517 -1.758 -8.480
359 HE22 GLN 42 HE22 GLN 42 -5.877 -2.199 -8.502
360 H ALA 43 H ALA 43 -9.944 -1.120 -4.621
361 HA ALA 43 HA ALA 43 -11.496 -2.567 -2.773
362 HB1 ALA 43 HB1 ALA 43 -10.014 -0.741 -2.081
363 HB2 ALA 43 HB2 ALA 43 -11.648 -0.432 -1.505
364 HB3 ALA 43 HB3 ALA 43 -11.034 0.436 -2.914
365 H GLU 44 H GLU 44 -13.684 -2.766 -2.447
366 HA GLU 44 HA GLU 44 -15.469 -1.475 -4.405
367 HB2 GLU 44 HB2 GLU 44 -16.010 -3.528 -2.239
368 HB3 GLU 44 HB3 GLU 44 -17.200 -2.963 -3.412
369 HG2 GLU 44 HG2 GLU 44 -15.723 -3.748 -5.252
370 HG3 GLU 44 HG3 GLU 44 -14.595 -4.379 -4.051
371 H GLY 45 H GLY 45 -15.478 -1.866 -0.835
372 HA2 GLY 45 HA2 GLY 45 -17.502 0.055 -0.330
373 HA3 GLY 45 HA3 GLY 45 -16.255 -0.404 0.830
374 H TYR 46 H TYR 46 -14.020 0.421 -0.787
375 HA TYR 46 HA TYR 46 -14.305 3.371 -0.483
376 HB2 TYR 46 HB2 TYR 46 -12.490 2.449 0.823
377 HB3 TYR 46 HB3 TYR 46 -11.863 1.581 -0.571
378 HD1 TYR 46 HD1 TYR 46 -10.829 2.787 -2.455
379 HD2 TYR 46 HD2 TYR 46 -12.114 4.822 1.098
380 HE1 TYR 46 HE1 TYR 46 -9.486 4.761 -3.105
381 HE2 TYR 46 HE2 TYR 46 -10.771 6.805 0.449
382 HH TYR 46 HH TYR 46 -8.815 7.317 -0.957
383 H SER 47 H SER 47 -13.889 4.731 -2.216
384 HA SER 47 HA SER 47 -13.465 3.383 -4.853
385 HB2 SER 47 HB2 SER 47 -14.804 6.036 -4.247
386 HB3 SER 47 HB3 SER 47 -14.636 5.309 -5.843
387 HG SER 47 HG SER 47 -16.647 4.970 -4.401
388 H TYR 48 H TYR 48 -11.998 4.377 -6.326
389 HA TYR 48 HA TYR 48 -9.989 6.124 -4.985
390 HB2 TYR 48 HB2 TYR 48 -9.755 4.538 -7.562
391 HB3 TYR 48 HB3 TYR 48 -8.448 5.388 -6.738
392 HD1 TYR 48 HD1 TYR 48 -10.783 2.534 -6.549
393 HD2 TYR 48 HD2 TYR 48 -7.409 4.471 -4.751
394 HE1 TYR 48 HE1 TYR 48 -10.374 0.534 -5.149
395 HE2 TYR 48 HE2 TYR 48 -6.992 2.470 -3.358
396 HH TYR 48 HH TYR 48 -8.423 0.527 -2.468
397 H THR 49 H THR 49 -8.970 7.795 -6.487
398 HA THR 49 HA THR 49 -11.015 9.513 -7.534
399 HB THR 49 HB THR 49 -9.334 11.045 -7.769
400 HG1 THR 49 HG1 THR 49 -7.869 10.703 -9.226
401 HG21 THR 49 HG21 THR 49 -7.658 10.737 -6.178
402 HG22 THR 49 HG22 THR 49 -7.445 9.035 -6.587
403 HG23 THR 49 HG23 THR 49 -8.853 9.551 -5.658
404 H ASP 50 H ASP 50 -11.238 10.183 -9.802
405 HA ASP 50 HA ASP 50 -11.569 8.020 -11.600
406 HB2 ASP 50 HB2 ASP 50 -11.218 10.983 -12.147
407 HB3 ASP 50 HB3 ASP 50 -11.718 9.807 -13.363
408 H ALA 51 H ALA 51 -8.816 10.120 -10.981
409 HA ALA 51 HA ALA 51 -7.259 9.599 -13.267
410 HB1 ALA 51 HB1 ALA 51 -5.294 10.031 -11.786
411 HB2 ALA 51 HB2 ALA 51 -6.372 9.960 -10.392
412 HB3 ALA 51 HB3 ALA 51 -6.570 11.232 -11.597
413 H ASN 52 H ASN 52 -7.067 7.811 -10.153
414 HA ASN 52 HA ASN 52 -5.341 5.768 -11.129
415 HB2 ASN 52 HB2 ASN 52 -5.924 6.188 -8.715
416 HB3 ASN 52 HB3 ASN 52 -7.479 5.410 -9.015
417 HD21 ASN 52 HD21 ASN 52 -7.426 3.253 -8.364
418 HD22 ASN 52 HD22 ASN 52 -6.087 2.220 -8.496
419 H ILE 53 H ILE 53 -8.890 5.975 -11.132
420 HA ILE 53 HA ILE 53 -9.297 3.316 -12.168
421 HB ILE 53 HB ILE 53 -11.114 5.736 -12.297
422 HG12 ILE 53 HG12 ILE 53 -11.017 3.443 -10.310
423 HG13 ILE 53 HG13 ILE 53 -10.376 5.057 -10.000
424 HG21 ILE 53 HG21 ILE 53 -12.887 3.938 -12.439
425 HG22 ILE 53 HG22 ILE 53 -11.592 2.770 -12.696
426 HG23 ILE 53 HG23 ILE 53 -11.860 4.061 -13.868
427 HD11 ILE 53 HD11 ILE 53 -13.007 4.203 -9.566
428 HD12 ILE 53 HD12 ILE 53 -13.092 5.185 -11.028
429 HD13 ILE 53 HD13 ILE 53 -12.428 5.869 -9.545
430 H LYS 54 H LYS 54 -9.399 6.510 -13.819
431 HA LYS 54 HA LYS 54 -9.982 5.505 -16.394
432 HB2 LYS 54 HB2 LYS 54 -8.440 7.964 -15.546
433 HB3 LYS 54 HB3 LYS 54 -8.910 7.636 -17.211
434 HG2 LYS 54 HG2 LYS 54 -11.291 7.480 -16.466
435 HG3 LYS 54 HG3 LYS 54 -10.778 7.955 -14.847
436 HD2 LYS 54 HD2 LYS 54 -9.825 10.052 -15.794
437 HD3 LYS 54 HD3 LYS 54 -10.439 9.586 -17.381
438 HE2 LYS 54 HE2 LYS 54 -12.555 9.362 -15.445
439 HE3 LYS 54 HE3 LYS 54 -11.830 10.965 -15.331
440 HZ1 LYS 54 HZ1 LYS 54 -13.673 10.263 -17.144
441 HZ2 LYS 54 HZ2 LYS 54 -12.244 10.008 -18.026
442 HZ3 LYS 54 HZ3 LYS 54 -12.568 11.533 -17.351
443 H LYS 55 H LYS 55 -6.815 5.985 -14.841
444 HA LYS 55 HA LYS 55 -5.241 5.357 -17.131
445 HB2 LYS 55 HB2 LYS 55 -4.676 4.959 -14.181
446 HB3 LYS 55 HB3 LYS 55 -3.468 4.755 -15.452
447 HG2 LYS 55 HG2 LYS 55 -3.895 7.089 -16.197
448 HG3 LYS 55 HG3 LYS 55 -5.027 7.288 -14.862
449 HD2 LYS 55 HD2 LYS 55 -3.182 6.748 -13.269
450 HD3 LYS 55 HD3 LYS 55 -2.065 6.689 -14.634
451 HE2 LYS 55 HE2 LYS 55 -3.633 9.118 -14.735
452 HE3 LYS 55 HE3 LYS 55 -2.833 8.974 -13.170
453 HZ1 LYS 55 HZ1 LYS 55 -0.931 8.195 -14.951
454 HZ2 LYS 55 HZ2 LYS 55 -1.034 9.721 -14.212
455 HZ3 LYS 55 HZ3 LYS 55 -1.704 9.474 -15.754
456 H ASN 56 H ASN 56 -6.853 3.300 -14.766
457 HA ASN 56 HA ASN 56 -7.151 0.975 -14.715
458 HB2 ASN 56 HB2 ASN 56 -7.917 1.798 -17.160
459 HB3 ASN 56 HB3 ASN 56 -6.575 0.752 -17.630
460 HD21 ASN 56 HD21 ASN 56 -6.722 -1.569 -17.019
461 HD22 ASN 56 HD22 ASN 56 -8.223 -2.256 -16.626
462 H VAL 57 H VAL 57 -4.590 1.686 -13.979
463 HA VAL 57 HA VAL 57 -2.786 -0.084 -15.532
464 HB VAL 57 HB VAL 57 -1.916 2.153 -14.995
465 HG11 VAL 57 HG11 VAL 57 -2.422 1.284 -12.135
466 HG12 VAL 57 HG12 VAL 57 -3.141 2.659 -12.974
467 HG13 VAL 57 HG13 VAL 57 -1.423 2.667 -12.577
468 HG21 VAL 57 HG21 VAL 57 0.159 1.302 -14.676
469 HG22 VAL 57 HG22 VAL 57 -0.636 -0.271 -14.597
470 HG23 VAL 57 HG23 VAL 57 -0.278 0.612 -13.112
471 H LEU 58 H LEU 58 -1.857 -1.919 -14.592
472 HA LEU 58 HA LEU 58 -3.348 -3.043 -12.350
473 HB2 LEU 58 HB2 LEU 58 -2.672 -4.461 -14.247
474 HB3 LEU 58 HB3 LEU 58 -0.976 -4.133 -13.891
475 HG LEU 58 HG LEU 58 -1.221 -5.179 -11.679
476 HD11 LEU 58 HD11 LEU 58 -3.385 -4.898 -10.933
477 HD12 LEU 58 HD12 LEU 58 -3.508 -6.549 -11.542
478 HD13 LEU 58 HD13 LEU 58 -4.086 -5.201 -12.522
479 HD21 LEU 58 HD21 LEU 58 -1.728 -7.520 -12.483
480 HD22 LEU 58 HD22 LEU 58 -0.560 -6.654 -13.481
481 HD23 LEU 58 HD23 LEU 58 -2.230 -6.820 -14.022
482 H TRP 59 H TRP 59 -2.731 -3.084 -10.261
483 HA TRP 59 HA TRP 59 -0.262 -1.694 -9.492
484 HB2 TRP 59 HB2 TRP 59 -2.625 -2.835 -8.016
485 HB3 TRP 59 HB3 TRP 59 -1.174 -2.366 -7.139
486 HD1 TRP 59 HD1 TRP 59 -4.316 -0.983 -8.379
487 HE1 TRP 59 HE1 TRP 59 -4.269 1.605 -8.371
488 HE3 TRP 59 HE3 TRP 59 0.669 -0.220 -7.661
489 HZ2 TRP 59 HZ2 TRP 59 -2.353 3.699 -8.081
490 HZ3 TRP 59 HZ3 TRP 59 1.584 2.076 -7.512
491 HH2 TRP 59 HH2 TRP 59 0.080 4.033 -7.716
492 H ASP 60 H ASP 60 1.619 -2.725 -8.998
493 HA ASP 60 HA ASP 60 1.519 -5.591 -8.199
494 HB2 ASP 60 HB2 ASP 60 3.248 -4.451 -10.418
495 HB3 ASP 60 HB3 ASP 60 3.424 -6.070 -9.744
496 H GLU 61 H GLU 61 3.836 -6.255 -7.460
497 HA GLU 61 HA GLU 61 4.667 -4.488 -5.385
498 HB2 GLU 61 HB2 GLU 61 6.186 -6.744 -6.732
499 HB3 GLU 61 HB3 GLU 61 6.673 -5.964 -5.226
500 HG2 GLU 61 HG2 GLU 61 4.501 -6.621 -4.210
501 HG3 GLU 61 HG3 GLU 61 4.083 -7.466 -5.702
502 H ASN 62 H ASN 62 5.847 -4.967 -8.690
503 HA ASN 62 HA ASN 62 8.147 -3.270 -8.473
504 HB2 ASN 62 HB2 ASN 62 6.415 -3.956 -10.866
505 HB3 ASN 62 HB3 ASN 62 7.968 -3.128 -10.965
506 HD21 ASN 62 HD21 ASN 62 7.594 -5.670 -12.212
507 HD22 ASN 62 HD22 ASN 62 8.536 -6.819 -11.393
508 H ASN 63 H ASN 63 4.796 -2.635 -9.474
509 HA ASN 63 HA ASN 63 5.160 0.138 -10.087
510 HB2 ASN 63 HB2 ASN 63 2.700 -1.336 -9.091
511 HB3 ASN 63 HB3 ASN 63 2.693 0.296 -9.760
512 HD21 ASN 63 HD21 ASN 63 1.287 -1.974 -10.953
513 HD22 ASN 63 HD22 ASN 63 1.984 -2.240 -12.478
514 H MET 64 H MET 64 4.323 -1.558 -7.085
515 HA MET 64 HA MET 64 3.813 0.757 -5.502
516 HB2 MET 64 HB2 MET 64 4.813 -2.006 -4.782
517 HB3 MET 64 HB3 MET 64 4.415 -0.783 -3.574
518 HG2 MET 64 HG2 MET 64 2.500 -1.751 -5.713
519 HG3 MET 64 HG3 MET 64 2.519 -2.350 -4.055
520 HE1 MET 64 HE1 MET 64 -0.613 -0.137 -4.721
521 HE2 MET 64 HE2 MET 64 -0.221 -1.312 -3.466
522 HE3 MET 64 HE3 MET 64 0.188 -1.656 -5.144
523 H SER 65 H SER 65 6.828 -0.951 -6.279
524 HA SER 65 HA SER 65 8.516 0.431 -4.451
525 HB2 SER 65 HB2 SER 65 9.172 -1.564 -5.854
526 HB3 SER 65 HB3 SER 65 9.266 -0.484 -7.242
527 HG SER 65 HG SER 65 10.612 0.705 -5.369
528 H GLU 66 H GLU 66 7.526 1.222 -7.771
529 HA GLU 66 HA GLU 66 9.055 3.657 -7.922
530 HB2 GLU 66 HB2 GLU 66 6.578 2.764 -9.431
531 HB3 GLU 66 HB3 GLU 66 7.561 4.164 -9.851
532 HG2 GLU 66 HG2 GLU 66 9.538 2.677 -10.101
533 HG3 GLU 66 HG3 GLU 66 8.505 1.286 -9.763
534 H TYR 67 H TYR 67 5.827 2.843 -6.770
535 HA TYR 67 HA TYR 67 4.760 5.477 -6.593
536 HB2 TYR 67 HB2 TYR 67 3.405 3.430 -6.282
537 HB3 TYR 67 HB3 TYR 67 4.247 3.111 -4.765
538 HD1 TYR 67 HD1 TYR 67 4.068 4.763 -2.875
539 HD2 TYR 67 HD2 TYR 67 1.646 5.026 -6.400
540 HE1 TYR 67 HE1 TYR 67 2.504 6.274 -1.684
541 HE2 TYR 67 HE2 TYR 67 0.077 6.539 -5.215
542 HH TYR 67 HH TYR 67 -0.428 6.825 -2.414
543 H LEU 68 H LEU 68 6.500 3.547 -4.134
544 HA LEU 68 HA LEU 68 6.451 5.579 -2.130
545 HB2 LEU 68 HB2 LEU 68 8.336 3.254 -2.583
546 HB3 LEU 68 HB3 LEU 68 8.319 4.240 -1.124
547 HG LEU 68 HG LEU 68 5.902 2.758 -2.201
548 HD11 LEU 68 HD11 LEU 68 6.992 1.863 0.354
549 HD12 LEU 68 HD12 LEU 68 8.134 1.638 -0.971
550 HD13 LEU 68 HD13 LEU 68 6.526 0.916 -1.058
551 HD21 LEU 68 HD21 LEU 68 4.871 4.230 -0.808
552 HD22 LEU 68 HD22 LEU 68 6.382 4.690 -0.027
553 HD23 LEU 68 HD23 LEU 68 5.531 3.235 0.487
554 H THR 69 H THR 69 8.869 4.785 -4.616
555 HA THR 69 HA THR 69 10.695 6.877 -3.751
556 HB THR 69 HB THR 69 11.917 6.377 -5.803
557 HG1 THR 69 HG1 THR 69 10.326 6.174 -7.292
558 HG21 THR 69 HG21 THR 69 12.209 3.937 -5.513
559 HG22 THR 69 HG22 THR 69 10.725 3.881 -4.562
560 HG23 THR 69 HG23 THR 69 12.127 4.767 -3.960
561 H ASN 70 H ASN 70 8.296 6.559 -6.355
562 HA ASN 70 HA ASN 70 8.061 9.516 -6.430
563 HB2 ASN 70 HB2 ASN 70 8.578 7.774 -8.862
564 HB3 ASN 70 HB3 ASN 70 8.105 9.472 -8.929
565 HD21 ASN 70 HD21 ASN 70 10.675 8.298 -9.870
566 HD22 ASN 70 HD22 ASN 70 11.897 9.069 -8.979
567 H HIS 71 H HIS 71 5.901 9.959 -6.274
568 HA HIS 71 HA HIS 71 3.995 8.132 -7.652
569 HB2 HIS 71 HB2 HIS 71 2.500 8.463 -5.548
570 HB3 HIS 71 HB3 HIS 71 3.807 7.281 -5.467
571 HD1 HIS 71 HD1 HIS 71 2.436 9.853 -3.487
572 HD2 HIS 71 HD2 HIS 71 6.351 8.839 -4.509
573 HE1 HIS 71 HE1 HIS 71 3.934 10.936 -1.753
574 HE2 HIS 71 HE2 HIS 71 6.319 10.327 -2.368
575 H ALA 72 H ALA 72 1.742 9.159 -7.656
576 HA ALA 72 HA ALA 72 0.321 11.019 -7.966
577 HB1 ALA 72 HB1 ALA 72 0.811 13.000 -6.918
578 HB2 ALA 72 HB2 ALA 72 2.478 13.012 -7.493
579 HB3 ALA 72 HB3 ALA 72 2.026 12.000 -6.122
580 H LYS 73 H LYS 73 3.558 10.913 -9.315
581 HA LYS 73 HA LYS 73 3.226 12.832 -11.392
582 HB2 LYS 73 HB2 LYS 73 4.883 10.295 -11.325
583 HB3 LYS 73 HB3 LYS 73 5.028 11.547 -12.559
584 HG2 LYS 73 HG2 LYS 73 5.513 13.209 -10.757
585 HG3 LYS 73 HG3 LYS 73 5.490 11.893 -9.582
586 HD2 LYS 73 HD2 LYS 73 7.307 10.762 -10.869
587 HD3 LYS 73 HD3 LYS 73 7.375 12.161 -11.943
588 HE2 LYS 73 HE2 LYS 73 7.637 13.504 -9.688
589 HE3 LYS 73 HE3 LYS 73 8.177 11.947 -9.059
590 HZ1 LYS 73 HZ1 LYS 73 9.740 13.720 -10.359
591 HZ2 LYS 73 HZ2 LYS 73 9.328 12.641 -11.604
592 HZ3 LYS 73 HZ3 LYS 73 10.079 12.065 -10.193
593 H TYR 74 H TYR 74 2.360 9.392 -11.252
594 HA TYR 74 HA TYR 74 0.883 9.769 -13.829
595 HB2 TYR 74 HB2 TYR 74 1.422 7.549 -14.478
596 HB3 TYR 74 HB3 TYR 74 2.933 8.235 -13.879
597 HD1 TYR 74 HD2 TYR 74 3.506 7.860 -11.400
598 HD2 TYR 74 HD1 TYR 74 0.550 5.591 -13.518
599 HE1 TYR 74 HE2 TYR 74 3.663 6.065 -9.689
600 HE2 TYR 74 HE1 TYR 74 0.693 3.796 -11.809
601 HH TYR 74 HH TYR 74 2.381 2.981 -10.143
602 H ILE 75 H ILE 75 0.327 9.689 -10.703
603 HA ILE 75 HA ILE 75 -2.206 8.133 -11.010
604 HB ILE 75 HB ILE 75 -1.587 7.807 -8.348
605 HG12 ILE 75 HG12 ILE 75 1.000 7.362 -9.825
606 HG13 ILE 75 HG13 ILE 75 0.661 8.878 -8.993
607 HG21 ILE 75 HG21 ILE 75 -0.598 5.928 -10.512
608 HG22 ILE 75 HG22 ILE 75 -2.307 6.080 -10.107
609 HG23 ILE 75 HG23 ILE 75 -1.164 5.509 -8.899
610 HD11 ILE 75 HD11 ILE 75 1.849 6.832 -7.751
611 HD12 ILE 75 HD12 ILE 75 0.169 6.354 -7.493
612 HD13 ILE 75 HD13 ILE 75 0.742 7.916 -6.907
613 HA PRO 76 HA PRO 76 -4.601 11.422 -9.314
614 HB2 PRO 76 HB2 PRO 76 -4.915 10.113 -6.694
615 HB3 PRO 76 HB3 PRO 76 -6.147 10.568 -7.879
616 HG2 PRO 76 HG2 PRO 76 -5.051 7.993 -7.397
617 HG3 PRO 76 HG3 PRO 76 -6.245 8.460 -8.614
618 HD2 PRO 76 HD2 PRO 76 -3.635 7.598 -9.137
619 HD3 PRO 76 HD3 PRO 76 -4.694 8.423 -10.289
620 H GLY 77 H GLY 77 -4.218 13.295 -8.088
621 HA2 GLY 77 HA2 GLY 77 -1.584 13.576 -6.912
622 HA3 GLY 77 HA3 GLY 77 -2.841 14.816 -6.932
623 H THR 78 H THR 78 -4.010 11.881 -5.726
624 HA THR 78 HA THR 78 -4.781 12.793 -3.222
625 HB THR 78 HB THR 78 -5.293 10.527 -4.294
626 HG1 THR 78 HG1 THR 78 -4.832 11.128 -1.643
627 HG21 THR 78 HG21 THR 78 -2.982 9.439 -2.747
628 HG22 THR 78 HG22 THR 78 -2.650 10.137 -4.332
629 HG23 THR 78 HG23 THR 78 -3.779 8.792 -4.182
630 H LYS 79 H LYS 79 -3.788 13.069 -1.228
631 HA LYS 79 HA LYS 79 -0.822 12.862 -1.237
632 HB2 LYS 79 HB2 LYS 79 -2.727 14.282 0.649
633 HB3 LYS 79 HB3 LYS 79 -0.969 14.297 0.796
634 HG2 LYS 79 HG2 LYS 79 -0.825 15.272 -1.499
635 HG3 LYS 79 HG3 LYS 79 -2.588 15.357 -1.539
636 HD2 LYS 79 HD2 LYS 79 -2.521 16.771 0.524
637 HD3 LYS 79 HD3 LYS 79 -0.760 16.771 0.423
638 HE2 LYS 79 HE2 LYS 79 -1.730 18.804 -0.615
639 HE3 LYS 79 HE3 LYS 79 -0.866 17.819 -1.796
640 HZ1 LYS 79 HZ1 LYS 79 -2.718 17.663 -2.969
641 HZ2 LYS 79 HZ2 LYS 79 -3.551 18.608 -1.828
642 HZ3 LYS 79 HZ3 LYS 79 -3.509 16.918 -1.667
643 H MET 80 H MET 80 0.179 11.296 -0.073
644 HA MET 80 HA MET 80 -1.491 9.634 1.752
645 HB2 MET 80 HB2 MET 80 0.725 9.112 -0.109
646 HB3 MET 80 HB3 MET 80 0.993 8.395 1.474
647 HG2 MET 80 HG2 MET 80 -1.744 7.925 0.501
648 HG3 MET 80 HG3 MET 80 -0.518 7.282 -0.582
649 HE1 MET 80 HE1 MET 80 1.733 5.188 1.623
650 HE2 MET 80 HE2 MET 80 1.678 6.491 0.437
651 HE3 MET 80 HE3 MET 80 0.929 4.941 0.066
652 H ALA 81 H ALA 81 -1.241 9.979 3.889
653 HA ALA 81 HA ALA 81 0.786 11.773 4.910
654 HB1 ALA 81 HB1 ALA 81 -0.308 11.579 6.967
655 HB2 ALA 81 HB2 ALA 81 -0.804 9.915 6.659
656 HB3 ALA 81 HB3 ALA 81 -1.607 11.245 5.824
657 H PHE 82 H PHE 82 0.754 8.375 4.321
658 HA PHE 82 HA PHE 82 2.392 7.380 6.379
659 HB2 PHE 82 HB2 PHE 82 1.373 6.003 4.550
660 HB3 PHE 82 HB3 PHE 82 2.610 6.618 3.454
661 HD1 PHE 82 HD2 PHE 82 2.081 4.723 6.614
662 HD2 PHE 82 HD1 PHE 82 4.828 5.737 3.470
663 HE1 PHE 82 HE2 PHE 82 3.674 3.017 7.455
664 HE2 PHE 82 HE1 PHE 82 6.421 4.029 4.315
665 HZ PHE 82 HZ PHE 82 5.838 2.671 6.302
666 H GLY 83 H GLY 83 3.368 9.097 3.411
667 HA2 GLY 83 HA2 GLY 83 5.370 10.245 2.957
668 HA3 GLY 83 HA3 GLY 83 5.737 10.141 4.679
669 H GLY 84 H GLY 84 7.612 9.058 5.038
670 HA2 GLY 84 HA2 GLY 84 8.132 6.594 3.437
671 HA3 GLY 84 HA3 GLY 84 9.403 7.804 3.611
672 H LEU 85 H LEU 85 9.825 5.206 4.516
673 HA LEU 85 HA LEU 85 9.414 5.284 7.454
674 HB2 LEU 85 HB2 LEU 85 10.101 3.172 5.452
675 HB3 LEU 85 HB3 LEU 85 10.639 2.952 7.115
676 HG LEU 85 HG LEU 85 7.801 3.760 6.602
677 HD11 LEU 85 HD11 LEU 85 7.462 1.131 6.758
678 HD12 LEU 85 HD12 LEU 85 9.071 1.103 6.039
679 HD13 LEU 85 HD13 LEU 85 7.743 1.905 5.199
680 HD21 LEU 85 HD21 LEU 85 9.227 2.054 8.669
681 HD22 LEU 85 HD22 LEU 85 7.493 2.389 8.666
682 HD23 LEU 85 HD23 LEU 85 8.645 3.704 8.901
683 H LYS 86 H LYS 86 11.088 5.645 8.865
684 HA LYS 86 HA LYS 86 13.546 6.777 7.958
685 HB2 LYS 86 HB2 LYS 86 12.855 5.488 10.619
686 HB3 LYS 86 HB3 LYS 86 14.306 6.444 10.317
687 HG2 LYS 86 HG2 LYS 86 12.851 8.364 9.653
688 HG3 LYS 86 HG3 LYS 86 11.439 7.406 10.104
689 HD2 LYS 86 HD2 LYS 86 12.371 7.182 12.407
690 HD3 LYS 86 HD3 LYS 86 13.702 8.241 11.941
691 HE2 LYS 86 HE2 LYS 86 10.868 9.141 11.510
692 HE3 LYS 86 HE3 LYS 86 11.592 9.271 13.114
693 HZ1 LYS 86 HZ1 LYS 86 12.256 11.241 12.256
694 HZ2 LYS 86 HZ2 LYS 86 12.257 10.687 10.650
695 HZ3 LYS 86 HZ3 LYS 86 13.543 10.294 11.687
696 H LYS 87 H LYS 87 12.610 3.481 8.832
697 HA LYS 87 HA LYS 87 15.354 2.549 8.121
698 HB2 LYS 87 HB2 LYS 87 13.086 1.151 9.572
699 HB3 LYS 87 HB3 LYS 87 14.634 0.402 9.181
700 HG2 LYS 87 HG2 LYS 87 15.785 2.206 10.471
701 HG3 LYS 87 HG3 LYS 87 14.204 2.828 10.946
702 HD2 LYS 87 HD2 LYS 87 13.672 0.611 11.956
703 HD3 LYS 87 HD3 LYS 87 15.305 0.071 11.563
704 HE2 LYS 87 HE2 LYS 87 15.165 0.856 13.903
705 HE3 LYS 87 HE3 LYS 87 16.245 1.876 12.951
706 HZ1 LYS 87 HZ1 LYS 87 14.666 3.560 12.824
707 HZ2 LYS 87 HZ2 LYS 87 14.534 3.015 14.429
708 HZ3 LYS 87 HZ3 LYS 87 13.385 2.541 13.270
709 H GLU 88 H GLU 88 15.447 2.134 5.974
710 HA GLU 88 HA GLU 88 13.199 1.500 4.321
711 HB2 GLU 88 HB2 GLU 88 16.163 1.045 3.871
712 HB3 GLU 88 HB3 GLU 88 14.925 0.891 2.625
713 HG2 GLU 88 HG2 GLU 88 14.265 3.254 3.016
714 HG3 GLU 88 HG3 GLU 88 15.562 3.401 4.203
715 H LYS 89 H LYS 89 15.494 -0.533 6.091
716 HA LYS 89 HA LYS 89 14.972 -3.001 4.825
717 HB2 LYS 89 HB2 LYS 89 15.557 -2.413 7.740
718 HB3 LYS 89 HB3 LYS 89 15.625 -4.015 7.011
719 HG2 LYS 89 HG2 LYS 89 17.314 -3.163 5.383
720 HG3 LYS 89 HG3 LYS 89 17.303 -1.617 6.231
721 HD2 LYS 89 HD2 LYS 89 17.962 -2.810 8.327
722 HD3 LYS 89 HD3 LYS 89 18.088 -4.304 7.397
723 HE2 LYS 89 HE2 LYS 89 19.921 -3.518 6.146
724 HE3 LYS 89 HE3 LYS 89 19.585 -1.833 6.544
725 HZ1 LYS 89 HZ1 LYS 89 20.605 -3.932 8.375
726 HZ2 LYS 89 HZ2 LYS 89 20.110 -2.388 8.884
727 HZ3 LYS 89 HZ3 LYS 89 21.435 -2.556 7.833
728 H ASP 90 H ASP 90 13.243 -1.433 7.518
729 HA ASP 90 HA ASP 90 11.335 -3.532 7.898
730 HB2 ASP 90 HB2 ASP 90 11.147 -0.550 8.427
731 HB3 ASP 90 HB3 ASP 90 9.962 -1.732 8.976
732 H ARG 91 H ARG 91 11.456 -0.734 5.748
733 HA ARG 91 HA ARG 91 8.797 -0.786 4.782
734 HB2 ARG 91 HB2 ARG 91 10.493 0.984 4.265
735 HB3 ARG 91 HB3 ARG 91 11.293 -0.155 3.183
736 HG2 ARG 91 HG2 ARG 91 9.246 -0.344 1.836
737 HG3 ARG 91 HG3 ARG 91 8.415 0.766 2.927
738 HD2 ARG 91 HD2 ARG 91 9.165 2.058 1.036
739 HD3 ARG 91 HD3 ARG 91 10.202 2.477 2.399
740 HE ARG 91 HE ARG 91 11.332 0.309 0.850
741 HH11 ARG 91 HH21 ARG 91 10.795 3.711 1.000
742 HH12 ARG 91 HH22 ARG 91 12.179 4.106 0.037
743 HH21 ARG 91 HH11 ARG 91 13.143 0.805 -0.407
744 HH22 ARG 91 HH12 ARG 91 13.509 2.461 -0.760
745 H ASN 92 H ASN 92 11.648 -2.631 3.710
746 HA ASN 92 HA ASN 92 10.444 -3.870 1.461
747 HB2 ASN 92 HB2 ASN 92 12.579 -4.900 3.348
748 HB3 ASN 92 HB3 ASN 92 12.176 -5.638 1.800
749 HD21 ASN 92 HD21 ASN 92 14.786 -4.560 2.285
750 HD22 ASN 92 HD22 ASN 92 14.996 -3.201 1.289
751 H ASP 93 H ASP 93 10.595 -4.940 4.862
752 HA ASP 93 HA ASP 93 9.113 -7.365 4.427
753 HB2 ASP 93 HB2 ASP 93 9.476 -5.662 6.913
754 HB3 ASP 93 HB3 ASP 93 8.755 -7.269 6.903
755 H LEU 94 H LEU 94 8.225 -4.048 5.166
756 HA LEU 94 HA LEU 94 5.493 -4.403 5.828
757 HB2 LEU 94 HB2 LEU 94 6.861 -2.292 5.998
758 HB3 LEU 94 HB3 LEU 94 6.693 -2.112 4.258
759 HG LEU 94 HG LEU 94 4.217 -2.132 4.523
760 HD11 LEU 94 HD11 LEU 94 3.528 -3.106 6.466
761 HD12 LEU 94 HD12 LEU 94 3.768 -1.498 7.151
762 HD13 LEU 94 HD13 LEU 94 5.031 -2.719 7.301
763 HD21 LEU 94 HD21 LEU 94 4.615 0.092 4.486
764 HD22 LEU 94 HD22 LEU 94 6.094 -0.106 5.421
765 HD23 LEU 94 HD23 LEU 94 4.547 0.058 6.250
766 H ILE 95 H ILE 95 7.012 -3.849 2.649
767 HA ILE 95 HA ILE 95 4.612 -3.796 1.135
768 HB ILE 95 HB ILE 95 7.362 -4.771 0.311
769 HG12 ILE 95 HG12 ILE 95 6.068 -2.043 0.000
770 HG13 ILE 95 HG13 ILE 95 7.256 -2.440 1.242
771 HG21 ILE 95 HG21 ILE 95 4.950 -3.866 -1.279
772 HG22 ILE 95 HG22 ILE 95 5.666 -5.477 -1.273
773 HG23 ILE 95 HG23 ILE 95 6.555 -4.120 -1.965
774 HD11 ILE 95 HD11 ILE 95 7.801 -1.554 -1.361
775 HD12 ILE 95 HD12 ILE 95 8.172 -3.278 -1.383
776 HD13 ILE 95 HD13 ILE 95 8.962 -2.221 -0.213
777 H THR 96 H THR 96 6.653 -6.502 2.170
778 HA THR 96 HA THR 96 5.405 -8.555 0.660
779 HB THR 96 HB THR 96 6.451 -8.842 3.490
780 HG1 THR 96 HG1 THR 96 8.357 -8.480 2.721
781 HG21 THR 96 HG21 THR 96 7.149 -10.948 1.678
782 HG22 THR 96 HG22 THR 96 5.411 -10.667 1.573
783 HG23 THR 96 HG23 THR 96 6.151 -11.038 3.130
784 H TYR 97 H TYR 97 4.540 -7.152 3.811
785 HA TYR 97 HA TYR 97 2.423 -8.952 4.431
786 HB2 TYR 97 HB2 TYR 97 3.380 -7.342 6.056
787 HB3 TYR 97 HB3 TYR 97 2.643 -6.015 5.156
788 HD1 TYR 97 HD1 TYR 97 1.966 -8.996 7.242
789 HD2 TYR 97 HD2 TYR 97 0.265 -5.596 5.243
790 HE1 TYR 97 HE1 TYR 97 -0.169 -9.354 8.450
791 HE2 TYR 97 HE2 TYR 97 -1.871 -5.955 6.450
792 HH TYR 97 HH TYR 97 -2.296 -7.412 9.038
793 H LEU 98 H LEU 98 2.406 -5.908 2.558
794 HA LEU 98 HA LEU 98 -0.395 -5.708 2.219
795 HB2 LEU 98 HB2 LEU 98 1.801 -4.956 0.270
796 HB3 LEU 98 HB3 LEU 98 0.134 -4.394 0.193
797 HG LEU 98 HG LEU 98 2.072 -3.893 2.468
798 HD11 LEU 98 HD11 LEU 98 1.976 -1.569 1.734
799 HD12 LEU 98 HD12 LEU 98 0.814 -1.983 0.476
800 HD13 LEU 98 HD13 LEU 98 2.471 -2.581 0.377
801 HD21 LEU 98 HD21 LEU 98 0.019 -3.908 3.561
802 HD22 LEU 98 HD22 LEU 98 -0.872 -3.451 2.109
803 HD23 LEU 98 HD23 LEU 98 0.055 -2.238 2.995
804 H LYS 99 H LYS 99 1.998 -7.601 0.403
805 HA LYS 99 HA LYS 99 0.277 -8.485 -1.676
806 HB2 LYS 99 HB2 LYS 99 2.742 -8.949 -1.575
807 HB3 LYS 99 HB3 LYS 99 2.434 -10.110 -0.282
808 HG2 LYS 99 HG2 LYS 99 0.994 -11.424 -1.777
809 HG3 LYS 99 HG3 LYS 99 1.247 -10.251 -3.069
810 HD2 LYS 99 HD2 LYS 99 2.761 -12.101 -3.443
811 HD3 LYS 99 HD3 LYS 99 3.716 -10.718 -2.912
812 HE2 LYS 99 HE2 LYS 99 4.079 -11.617 -0.781
813 HE3 LYS 99 HE3 LYS 99 2.676 -12.681 -0.886
814 HZ1 LYS 99 HZ1 LYS 99 5.254 -12.951 -2.326
815 HZ2 LYS 99 HZ2 LYS 99 3.876 -13.877 -2.690
816 HZ3 LYS 99 HZ3 LYS 99 4.609 -14.002 -1.162
817 H LYS 100 H LYS 100 0.796 -9.661 1.621
818 HA LYS 100 HA LYS 100 -0.931 -11.933 1.469
819 HB2 LYS 100 HB2 LYS 100 0.703 -11.504 3.316
820 HB3 LYS 100 HB3 LYS 100 -0.347 -10.208 3.893
821 HG2 LYS 100 HG2 LYS 100 -2.175 -11.793 4.241
822 HG3 LYS 100 HG3 LYS 100 -1.198 -13.100 3.571
823 HD2 LYS 100 HD2 LYS 100 -1.090 -13.237 5.991
824 HD3 LYS 100 HD3 LYS 100 0.480 -12.700 5.395
825 HE2 LYS 100 HE2 LYS 100 0.193 -10.535 6.179
826 HE3 LYS 100 HE3 LYS 100 -1.567 -10.629 6.102
827 HZ1 LYS 100 HZ1 LYS 100 0.253 -11.518 8.196
828 HZ2 LYS 100 HZ2 LYS 100 -1.100 -12.503 7.896
829 HZ3 LYS 100 HZ3 LYS 100 -1.310 -10.871 8.318
830 H ALA 101 H ALA 101 -1.548 -8.498 2.017
831 HA ALA 101 HA ALA 101 -4.174 -8.705 3.054
832 HB1 ALA 101 HB1 ALA 101 -3.852 -6.481 1.189
833 HB2 ALA 101 HB2 ALA 101 -2.487 -6.630 2.295
834 HB3 ALA 101 HB3 ALA 101 -4.122 -6.450 2.931
835 H THR 102 H THR 102 -3.005 -8.812 -0.295
836 HA THR 102 HA THR 102 -5.636 -8.738 -1.478
837 HB THR 102 HB THR 102 -3.166 -8.511 -2.521
838 HG1 THR 102 HG1 THR 102 -4.330 -9.160 -4.563
839 HG21 THR 102 HG21 THR 102 -3.988 -11.294 -3.365
840 HG22 THR 102 HG22 THR 102 -2.819 -11.010 -2.077
841 HG23 THR 102 HG23 THR 102 -2.478 -10.453 -3.713
842 H GLU 103 H GLU 103 -3.607 -11.313 -0.193
843 HA GLU 103 HA GLU 103 -4.804 -13.591 -1.275
844 HB2 GLU 103 HB2 GLU 103 -2.901 -13.580 0.358
845 HB3 GLU 103 HB3 GLU 103 -4.061 -13.242 1.644
846 HG2 GLU 103 HG2 GLU 103 -5.288 -15.327 1.036
847 HG3 GLU 103 HG3 GLU 103 -4.036 -15.682 -0.155
848 HHA HEC 104 HA HEC 104 -3.958 4.844 -2.017
849 HHB HEC 104 HB HEC 104 0.592 1.388 0.649
850 HHC HEC 104 HC HEC 104 -0.479 4.245 6.194
851 HHD HEC 104 HD HEC 104 -4.804 7.939 3.425
852 HMA1 HEC 104 1HMA HEC 104 0.510 1.178 -2.212
853 HMA2 HEC 104 2HMA HEC 104 -1.112 0.611 -2.614
854 HMA3 HEC 104 3HMA HEC 104 -0.415 0.243 -1.037
855 HAA1 HEC 104 1HAA HEC 104 -1.719 2.407 -3.864
856 HAA2 HEC 104 2HAA HEC 104 -3.159 3.370 -3.576
857 HBA1 HEC 104 1HBA HEC 104 -0.769 4.273 -4.675
858 HBA2 HEC 104 2HBA HEC 104 -0.733 4.877 -3.019
859 HMB1 HEC 104 1HMB HEC 104 3.027 1.766 3.492
860 HMB2 HEC 104 2HMB HEC 104 2.196 0.271 3.060
861 HMB3 HEC 104 3HMB HEC 104 2.458 1.519 1.848
862 HAB HEC 104 HAB HEC 104 1.601 2.477 6.326
863 HBB1 HEC 104 1HBB HEC 104 2.552 0.530 5.288
864 HBB2 HEC 104 2HBB HEC 104 0.964 -0.132 4.920
865 HBB3 HEC 104 3HBB HEC 104 1.535 -0.065 6.582
866 HMC1 HEC 104 1HMC HEC 104 -0.529 6.631 7.044
867 HMC2 HEC 104 2HMC HEC 104 -1.753 5.777 7.983
868 HMC3 HEC 104 3HMC HEC 104 -1.954 7.493 7.627
869 HAC HEC 104 HAC HEC 104 -5.271 7.680 5.601
870 HBC1 HEC 104 1HBC HEC 104 -3.069 9.405 5.778
871 HBC2 HEC 104 2HBC HEC 104 -4.753 9.822 6.097
872 HBC3 HEC 104 3HBC HEC 104 -3.701 9.322 7.422
873 HMD1 HEC 104 1HMD HEC 104 -6.639 8.643 1.579
874 HMD2 HEC 104 2HMD HEC 104 -6.063 9.035 -0.042
875 HMD3 HEC 104 3HMD HEC 104 -5.052 9.381 1.362
876 HAD1 HEC 104 1HAD HEC 104 -6.969 6.968 -1.084
877 HAD2 HEC 104 2HAD HEC 104 -6.154 5.563 -1.756
878 HBD1 HEC 104 1HBD HEC 104 -4.873 8.190 -2.267
879 HBD2 HEC 104 2HBD HEC 104 -5.040 6.791 -3.328
Start of MODEL 20
1 H1 THR -5 H1 THR -5 13.236 -0.073 -5.521
2 H2 THR -5 H2 THR -5 14.159 1.173 -6.216
3 H3 THR -5 H3 THR -5 14.496 0.641 -4.638
4 HA THR -5 HA THR -5 15.434 -0.376 -7.129
5 HB THR -5 HB THR -5 17.019 -1.531 -5.566
6 HG1 THR -5 HG1 THR -5 15.149 -0.504 -3.742
7 HG21 THR -5 HG21 THR -5 17.496 0.862 -4.326
8 HG22 THR -5 HG22 THR -5 16.481 1.367 -5.679
9 HG23 THR -5 HG23 THR -5 17.979 0.487 -5.980
10 H GLU -4 H GLU -4 16.204 -2.972 -6.345
11 HA GLU -4 HA GLU -4 13.990 -4.527 -7.199
12 HB2 GLU -4 HB2 GLU -4 16.412 -5.382 -5.583
13 HB3 GLU -4 HB3 GLU -4 15.314 -6.479 -6.422
14 HG2 GLU -4 HG2 GLU -4 15.855 -5.342 -8.566
15 HG3 GLU -4 HG3 GLU -4 17.008 -4.318 -7.710
16 H PHE -3 H PHE -3 12.442 -5.726 -6.058
17 HA PHE -3 HA PHE -3 12.127 -4.949 -3.201
18 HB2 PHE -3 HB2 PHE -3 10.146 -4.440 -4.378
19 HB3 PHE -3 HB3 PHE -3 10.221 -5.924 -5.325
20 HD1 PHE -3 HD2 PHE -3 10.544 -5.346 -1.625
21 HD2 PHE -3 HD1 PHE -3 8.319 -7.180 -4.810
22 HE1 PHE -3 HE2 PHE -3 9.113 -6.494 0.035
23 HE2 PHE -3 HE1 PHE -3 6.886 -8.327 -3.144
24 HZ PHE -3 HZ PHE -3 7.281 -7.980 -0.722
25 H LYS -2 H LYS -2 12.516 -6.448 -1.648
26 HA LYS -2 HA LYS -2 12.795 -9.293 -2.493
27 HB2 LYS -2 HB2 LYS -2 13.941 -7.821 -0.101
28 HB3 LYS -2 HB3 LYS -2 14.162 -9.541 -0.423
29 HG2 LYS -2 HG2 LYS -2 15.194 -8.956 -2.622
30 HG3 LYS -2 HG3 LYS -2 15.069 -7.249 -2.190
31 HD2 LYS -2 HD2 LYS -2 16.442 -7.710 -0.152
32 HD3 LYS -2 HD3 LYS -2 16.647 -9.372 -0.707
33 HE2 LYS -2 HE2 LYS -2 18.581 -8.289 -1.509
34 HE3 LYS -2 HE3 LYS -2 17.510 -8.303 -2.910
35 HZ1 LYS -2 HZ1 LYS -2 16.950 -6.029 -1.369
36 HZ2 LYS -2 HZ2 LYS -2 17.568 -6.107 -2.950
37 HZ3 LYS -2 HZ3 LYS -2 18.626 -6.093 -1.620
38 H ALA -1 H ALA -1 11.685 -10.902 -1.321
39 HA ALA -1 HA ALA -1 9.348 -9.929 0.180
40 HB1 ALA -1 HB1 ALA -1 9.047 -12.583 0.285
41 HB2 ALA -1 HB2 ALA -1 10.182 -12.511 -1.064
42 HB3 ALA -1 HB3 ALA -1 8.638 -11.663 -1.164
43 H GLY 1 H GLY 1 10.143 -9.252 2.189
44 HA2 GLY 1 HA2 GLY 1 11.996 -10.879 3.736
45 HA3 GLY 1 HA3 GLY 1 11.140 -9.451 4.321
46 H SER 2 H SER 2 9.884 -9.994 6.034
47 HA SER 2 HA SER 2 8.395 -12.592 5.906
48 HB2 SER 2 HB2 SER 2 10.134 -12.500 7.700
49 HB3 SER 2 HB3 SER 2 9.314 -11.098 8.382
50 HG SER 2 HG SER 2 8.475 -12.815 9.441
51 H ALA 3 H ALA 3 6.199 -12.414 6.000
52 HA ALA 3 HA ALA 3 4.943 -9.825 5.940
53 HB1 ALA 3 HB1 ALA 3 2.832 -11.082 5.956
54 HB2 ALA 3 HB2 ALA 3 3.694 -12.547 6.426
55 HB3 ALA 3 HB3 ALA 3 3.976 -11.828 4.841
56 H LYS 4 H LYS 4 5.422 -12.239 8.479
57 HA LYS 4 HA LYS 4 3.680 -11.136 10.437
58 HB2 LYS 4 HB2 LYS 4 6.358 -12.474 10.911
59 HB3 LYS 4 HB3 LYS 4 5.012 -12.375 12.044
60 HG2 LYS 4 HG2 LYS 4 3.613 -13.612 10.339
61 HG3 LYS 4 HG3 LYS 4 5.100 -13.873 9.425
62 HD2 LYS 4 HD2 LYS 4 4.658 -14.733 12.301
63 HD3 LYS 4 HD3 LYS 4 4.570 -15.804 10.902
64 HE2 LYS 4 HE2 LYS 4 6.778 -16.152 11.393
65 HE3 LYS 4 HE3 LYS 4 6.987 -14.673 10.456
66 HZ1 LYS 4 HZ1 LYS 4 6.353 -14.331 13.272
67 HZ2 LYS 4 HZ2 LYS 4 7.431 -13.464 12.285
68 HZ3 LYS 4 HZ3 LYS 4 7.889 -14.967 12.932
69 H LYS 5 H LYS 5 7.143 -10.589 9.865
70 HA LYS 5 HA LYS 5 7.520 -8.650 11.913
71 HB2 LYS 5 HB2 LYS 5 8.939 -8.988 9.255
72 HB3 LYS 5 HB3 LYS 5 9.509 -7.962 10.570
73 HG2 LYS 5 HG2 LYS 5 9.542 -9.960 12.067
74 HG3 LYS 5 HG3 LYS 5 9.097 -10.961 10.684
75 HD2 LYS 5 HD2 LYS 5 11.142 -10.156 9.495
76 HD3 LYS 5 HD3 LYS 5 11.606 -9.280 10.955
77 HE2 LYS 5 HE2 LYS 5 11.526 -11.457 12.208
78 HE3 LYS 5 HE3 LYS 5 11.255 -12.276 10.671
79 HZ1 LYS 5 HZ1 LYS 5 13.358 -11.848 9.959
80 HZ2 LYS 5 HZ2 LYS 5 13.656 -11.942 11.629
81 HZ3 LYS 5 HZ3 LYS 5 13.516 -10.428 10.872
82 H GLY 6 H GLY 6 6.643 -8.252 8.477
83 HA2 GLY 6 HA2 GLY 6 6.585 -5.385 8.534
84 HA3 GLY 6 HA3 GLY 6 5.752 -6.392 7.352
85 H ALA 7 H ALA 7 4.170 -7.852 9.297
86 HA ALA 7 HA ALA 7 1.888 -6.174 9.442
87 HB1 ALA 7 HB1 ALA 7 2.164 -8.328 11.477
88 HB2 ALA 7 HB2 ALA 7 2.268 -8.816 9.785
89 HB3 ALA 7 HB3 ALA 7 0.829 -7.984 10.377
90 H THR 8 H THR 8 4.366 -6.897 11.896
91 HA THR 8 HA THR 8 3.132 -5.510 14.056
92 HB THR 8 HB THR 8 5.343 -5.464 15.049
93 HG1 THR 8 HG1 THR 8 6.296 -4.732 12.987
94 HG21 THR 8 HG21 THR 8 4.143 -7.687 14.666
95 HG22 THR 8 HG22 THR 8 5.878 -7.783 14.965
96 HG23 THR 8 HG23 THR 8 5.258 -7.934 13.322
97 H LEU 9 H LEU 9 5.462 -4.426 11.617
98 HA LEU 9 HA LEU 9 5.619 -1.697 12.485
99 HB2 LEU 9 HB2 LEU 9 7.106 -2.967 10.798
100 HB3 LEU 9 HB3 LEU 9 5.858 -2.582 9.617
101 HG LEU 9 HG LEU 9 6.093 -0.149 10.585
102 HD11 LEU 9 HD11 LEU 9 8.963 -0.809 10.906
103 HD12 LEU 9 HD12 LEU 9 7.912 -1.360 12.212
104 HD13 LEU 9 HD13 LEU 9 7.967 0.351 11.788
105 HD21 LEU 9 HD21 LEU 9 7.659 -1.649 8.566
106 HD22 LEU 9 HD22 LEU 9 8.289 -0.062 9.006
107 HD23 LEU 9 HD23 LEU 9 6.651 -0.217 8.375
108 H PHE 10 H PHE 10 3.563 -3.372 10.159
109 HA PHE 10 HA PHE 10 2.171 -1.110 9.129
110 HB2 PHE 10 HB2 PHE 10 2.144 -3.438 8.182
111 HB3 PHE 10 HB3 PHE 10 1.102 -3.922 9.517
112 HD1 PHE 10 HD1 PHE 10 1.336 -1.959 6.416
113 HD2 PHE 10 HD2 PHE 10 -1.214 -3.152 9.659
114 HE1 PHE 10 HE1 PHE 10 -0.642 -1.157 5.154
115 HE2 PHE 10 HE2 PHE 10 -3.193 -2.349 8.398
116 HZ PHE 10 HZ PHE 10 -2.908 -1.353 6.144
117 H LYS 11 H LYS 11 1.312 -3.307 11.819
118 HA LYS 11 HA LYS 11 -1.135 -2.036 12.490
119 HB2 LYS 11 HB2 LYS 11 0.793 -3.655 14.160
120 HB3 LYS 11 HB3 LYS 11 -0.796 -3.145 14.724
121 HG2 LYS 11 HG2 LYS 11 -1.828 -4.297 12.773
122 HG3 LYS 11 HG3 LYS 11 -0.231 -4.876 12.303
123 HD2 LYS 11 HD2 LYS 11 -0.023 -5.985 14.532
124 HD3 LYS 11 HD3 LYS 11 -1.677 -5.491 14.895
125 HE2 LYS 11 HE2 LYS 11 -0.791 -7.300 12.629
126 HE3 LYS 11 HE3 LYS 11 -1.705 -7.779 14.058
127 HZ1 LYS 11 HZ1 LYS 11 -3.505 -6.348 13.368
128 HZ2 LYS 11 HZ2 LYS 11 -3.134 -7.446 12.125
129 HZ3 LYS 11 HZ3 LYS 11 -2.623 -5.828 12.016
130 H THR 12 H THR 12 2.186 -1.279 13.447
131 HA THR 12 HA THR 12 1.146 0.792 15.305
132 HB THR 12 HB THR 12 3.440 0.967 16.109
133 HG1 THR 12 HG1 THR 12 4.117 -1.013 14.214
134 HG21 THR 12 HG21 THR 12 3.755 -1.366 16.883
135 HG22 THR 12 HG22 THR 12 2.578 -1.909 15.688
136 HG23 THR 12 HG23 THR 12 2.071 -0.858 17.011
137 H ARG 13 H ARG 13 1.884 0.684 12.061
138 HA ARG 13 HA ARG 13 2.389 3.610 12.094
139 HB2 ARG 13 HB2 ARG 13 4.103 1.610 10.595
140 HB3 ARG 13 HB3 ARG 13 4.188 3.360 10.390
141 HG2 ARG 13 HG2 ARG 13 4.619 3.527 12.885
142 HG3 ARG 13 HG3 ARG 13 4.787 1.772 12.898
143 HD2 ARG 13 HD2 ARG 13 6.554 2.018 11.105
144 HD3 ARG 13 HD3 ARG 13 6.481 3.759 11.366
145 HE ARG 13 HE ARG 13 7.710 1.806 13.161
146 HH11 ARG 13 HH21 ARG 13 6.228 4.895 12.780
147 HH12 ARG 13 HH22 ARG 13 6.992 5.582 14.175
148 HH21 ARG 13 HH11 ARG 13 8.715 2.684 14.985
149 HH22 ARG 13 HH12 ARG 13 8.400 4.330 15.423
150 H CYS 14 H CYS 14 0.338 1.378 11.115
151 HA CYS 14 HA CYS 14 -0.674 2.948 8.915
152 HB2 CYS 14 HB2 CYS 14 1.397 1.634 8.014
153 HB3 CYS 14 HB3 CYS 14 0.311 0.246 8.042
154 H LEU 15 H LEU 15 -2.356 2.499 10.684
155 HA LEU 15 HA LEU 15 -3.950 0.154 9.821
156 HB2 LEU 15 HB2 LEU 15 -4.455 -0.472 12.149
157 HB3 LEU 15 HB3 LEU 15 -2.733 -0.602 11.820
158 HG LEU 15 HG LEU 15 -4.042 1.793 13.140
159 HD11 LEU 15 HD11 LEU 15 -2.573 0.767 15.098
160 HD12 LEU 15 HD12 LEU 15 -2.835 -0.732 14.205
161 HD13 LEU 15 HD13 LEU 15 -4.214 0.191 14.806
162 HD21 LEU 15 HD21 LEU 15 -2.064 2.698 12.408
163 HD22 LEU 15 HD22 LEU 15 -1.291 1.122 12.228
164 HD23 LEU 15 HD23 LEU 15 -1.419 1.866 13.820
165 H GLN 16 H GLN 16 -3.760 3.247 11.502
166 HA GLN 16 HA GLN 16 -6.531 3.600 12.042
167 HB2 GLN 16 HB2 GLN 16 -6.023 6.003 12.103
168 HB3 GLN 16 HB3 GLN 16 -4.744 5.095 12.910
169 HG2 GLN 16 HG2 GLN 16 -3.393 5.173 10.832
170 HG3 GLN 16 HG3 GLN 16 -4.661 6.122 10.054
171 HE21 GLN 16 HE21 GLN 16 -4.787 8.371 10.552
172 HE22 GLN 16 HE22 GLN 16 -3.698 9.152 11.593
173 H CYS 17 H CYS 17 -4.634 4.058 9.105
174 HA CYS 17 HA CYS 17 -6.942 5.207 7.673
175 HB2 CYS 17 HB2 CYS 17 -4.121 4.506 6.823
176 HB3 CYS 17 HB3 CYS 17 -5.330 5.173 5.727
177 H HIS 18 H HIS 18 -4.780 2.858 6.222
178 HA HIS 18 HA HIS 18 -6.816 1.459 4.860
179 HB2 HIS 18 HB2 HIS 18 -4.043 0.585 5.705
180 HB3 HIS 18 HB3 HIS 18 -5.083 -0.386 4.660
181 HD1 HIS 18 HD1 HIS 18 -5.477 0.446 2.247
182 HD2 HIS 18 HD2 HIS 18 -3.098 3.015 4.515
183 HE1 HIS 18 HE1 HIS 18 -4.508 2.144 0.629
184 H THR 19 H THR 19 -5.478 0.916 8.087
185 HA THR 19 HA THR 19 -6.076 -0.689 9.720
186 HB THR 19 HB THR 19 -8.905 -0.427 8.761
187 HG1 THR 19 HG1 THR 19 -7.570 1.620 8.583
188 HG21 THR 19 HG21 THR 19 -9.404 -0.472 11.053
189 HG22 THR 19 HG22 THR 19 -7.799 0.098 11.510
190 HG23 THR 19 HG23 THR 19 -8.016 -1.554 10.935
191 H VAL 20 H VAL 20 -5.021 -2.291 8.090
192 HA VAL 20 HA VAL 20 -6.765 -3.978 6.529
193 HB VAL 20 HB VAL 20 -3.926 -4.304 7.494
194 HG11 VAL 20 HG11 VAL 20 -4.247 -6.051 5.398
195 HG12 VAL 20 HG12 VAL 20 -5.766 -6.246 6.273
196 HG13 VAL 20 HG13 VAL 20 -4.231 -6.519 7.098
197 HG21 VAL 20 HG21 VAL 20 -3.321 -3.565 5.362
198 HG22 VAL 20 HG22 VAL 20 -4.766 -2.603 5.671
199 HG23 VAL 20 HG23 VAL 20 -4.865 -4.041 4.657
200 H GLU 21 H GLU 21 -8.072 -3.891 8.845
201 HA GLU 21 HA GLU 21 -7.371 -5.886 10.787
202 HB2 GLU 21 HB2 GLU 21 -9.071 -4.013 11.074
203 HB3 GLU 21 HB3 GLU 21 -10.167 -4.956 10.067
204 HG2 GLU 21 HG2 GLU 21 -9.984 -6.846 11.672
205 HG3 GLU 21 HG3 GLU 21 -8.944 -5.854 12.694
206 H LYS 22 H LYS 22 -8.215 -6.162 7.573
207 HA LYS 22 HA LYS 22 -8.491 -8.104 6.290
208 HB2 LYS 22 HB2 LYS 22 -7.589 -9.168 8.605
209 HB3 LYS 22 HB3 LYS 22 -9.231 -9.813 8.604
210 HG2 LYS 22 HG2 LYS 22 -8.088 -11.422 7.380
211 HG3 LYS 22 HG3 LYS 22 -8.708 -10.387 6.099
212 HD2 LYS 22 HD2 LYS 22 -6.457 -9.099 6.382
213 HD3 LYS 22 HD3 LYS 22 -5.908 -10.563 7.198
214 HE2 LYS 22 HE2 LYS 22 -6.833 -10.243 4.346
215 HE3 LYS 22 HE3 LYS 22 -5.311 -10.909 4.938
216 HZ1 LYS 22 HZ1 LYS 22 -8.010 -12.121 5.127
217 HZ2 LYS 22 HZ2 LYS 22 -6.668 -12.706 5.988
218 HZ3 LYS 22 HZ3 LYS 22 -6.663 -12.721 4.290
219 H GLY 23 H GLY 23 -10.396 -6.857 5.653
220 HA2 GLY 23 HA2 GLY 23 -12.685 -7.204 4.997
221 HA3 GLY 23 HA3 GLY 23 -12.891 -8.280 6.381
222 H GLY 24 H GLY 24 -11.205 -5.447 7.194
223 HA2 GLY 24 HA2 GLY 24 -13.459 -4.520 8.815
224 HA3 GLY 24 HA3 GLY 24 -11.847 -3.807 8.779
225 HA PRO 25 HA PRO 25 -15.196 -1.415 6.233
226 HB2 PRO 25 HB2 PRO 25 -15.161 0.789 7.958
227 HB3 PRO 25 HB3 PRO 25 -16.420 -0.457 7.901
228 HG2 PRO 25 HG2 PRO 25 -14.147 -0.147 9.777
229 HG3 PRO 25 HG3 PRO 25 -15.775 -0.784 10.062
230 HD2 PRO 25 HD2 PRO 25 -13.607 -2.407 9.847
231 HD3 PRO 25 HD3 PRO 25 -15.225 -2.910 9.307
232 H HIS 26 H HIS 26 -14.717 0.695 5.143
233 HA HIS 26 HA HIS 26 -11.778 1.099 4.976
234 HB2 HIS 26 HB2 HIS 26 -13.941 2.291 3.222
235 HB3 HIS 26 HB3 HIS 26 -12.211 2.241 2.895
236 HD1 HIS 26 HD1 HIS 26 -11.184 -0.265 2.601
237 HD2 HIS 26 HD2 HIS 26 -15.325 0.085 2.287
238 HE1 HIS 26 HE1 HIS 26 -11.996 -2.363 1.430
239 HE2 HIS 26 HE2 HIS 26 -14.517 -2.166 1.247
240 H LYS 27 H LYS 27 -10.815 2.983 5.638
241 HA LYS 27 HA LYS 27 -12.597 5.077 6.796
242 HB2 LYS 27 HB2 LYS 27 -10.774 3.926 8.208
243 HB3 LYS 27 HB3 LYS 27 -9.613 4.813 7.220
244 HG2 LYS 27 HG2 LYS 27 -9.935 6.273 9.021
245 HG3 LYS 27 HG3 LYS 27 -11.081 6.897 7.833
246 HD2 LYS 27 HD2 LYS 27 -12.583 6.708 9.537
247 HD3 LYS 27 HD3 LYS 27 -12.608 5.005 9.074
248 HE2 LYS 27 HE2 LYS 27 -12.180 4.915 11.383
249 HE3 LYS 27 HE3 LYS 27 -10.571 4.774 10.674
250 HZ1 LYS 27 HZ1 LYS 27 -11.764 6.977 12.156
251 HZ2 LYS 27 HZ2 LYS 27 -10.771 7.404 10.845
252 HZ3 LYS 27 HZ3 LYS 27 -10.154 6.448 12.107
253 H VAL 28 H VAL 28 -9.777 6.593 6.569
254 HA VAL 28 HA VAL 28 -10.541 8.204 4.319
255 HB VAL 28 HB VAL 28 -7.870 7.903 5.729
256 HG11 VAL 28 HG11 VAL 28 -8.808 9.708 3.511
257 HG12 VAL 28 HG12 VAL 28 -7.277 8.845 3.665
258 HG13 VAL 28 HG13 VAL 28 -7.590 10.271 4.655
259 HG21 VAL 28 HG21 VAL 28 -9.549 10.348 5.933
260 HG22 VAL 28 HG22 VAL 28 -8.581 9.541 7.168
261 HG23 VAL 28 HG23 VAL 28 -10.171 8.909 6.741
262 H GLY 29 H GLY 29 -8.315 5.480 4.700
263 HA2 GLY 29 HA2 GLY 29 -7.917 5.489 1.736
264 HA3 GLY 29 HA3 GLY 29 -6.762 4.808 2.884
265 HA PRO 30 HA PRO 30 -10.180 1.727 1.367
266 HB2 PRO 30 HB2 PRO 30 -8.519 0.307 -0.365
267 HB3 PRO 30 HB3 PRO 30 -9.735 1.499 -0.850
268 HG2 PRO 30 HG2 PRO 30 -6.803 1.772 -0.633
269 HG3 PRO 30 HG3 PRO 30 -7.944 2.582 -1.717
270 HD2 PRO 30 HD2 PRO 30 -6.800 3.809 0.453
271 HD3 PRO 30 HD3 PRO 30 -8.379 4.273 -0.217
272 H ASN 31 H ASN 31 -10.183 -0.538 1.963
273 HA ASN 31 HA ASN 31 -8.622 -1.216 4.214
274 HB2 ASN 31 HB2 ASN 31 -10.786 -2.320 3.363
275 HB3 ASN 31 HB3 ASN 31 -9.740 -3.287 2.322
276 HD21 ASN 31 HD21 ASN 31 -11.323 -4.384 4.522
277 HD22 ASN 31 HD22 ASN 31 -10.232 -5.011 5.661
278 H LEU 32 H LEU 32 -7.982 -1.617 0.798
279 HA LEU 32 HA LEU 32 -5.871 -1.888 -0.209
280 HB2 LEU 32 HB2 LEU 32 -4.999 -1.287 2.220
281 HB3 LEU 32 HB3 LEU 32 -4.692 -3.017 2.315
282 HG LEU 32 HG LEU 32 -3.247 -2.922 0.350
283 HD11 LEU 32 HD11 LEU 32 -4.415 -0.188 0.160
284 HD12 LEU 32 HD12 LEU 32 -3.888 -1.280 -1.120
285 HD13 LEU 32 HD13 LEU 32 -2.701 -0.332 -0.230
286 HD21 LEU 32 HD21 LEU 32 -2.383 -2.307 2.662
287 HD22 LEU 32 HD22 LEU 32 -2.536 -0.616 2.177
288 HD23 LEU 32 HD23 LEU 32 -1.431 -1.682 1.313
289 H HIS 33 H HIS 33 -8.056 -3.892 0.229
290 HA HIS 33 HA HIS 33 -6.448 -6.397 -0.067
291 HB2 HIS 33 HB2 HIS 33 -9.368 -5.969 0.620
292 HB3 HIS 33 HB3 HIS 33 -8.662 -7.551 0.289
293 HD1 HIS 33 HD1 HIS 33 -6.021 -7.385 1.779
294 HD2 HIS 33 HD2 HIS 33 -9.604 -5.973 3.374
295 HE1 HIS 33 HE1 HIS 33 -5.730 -7.369 4.294
296 HE2 HIS 33 HE2 HIS 33 -7.900 -6.498 5.277
297 H GLY 34 H GLY 34 -8.099 -4.066 -1.877
298 HA2 GLY 34 HA2 GLY 34 -8.705 -6.050 -4.038
299 HA3 GLY 34 HA3 GLY 34 -9.530 -4.506 -3.859
300 H ILE 35 H ILE 35 -6.617 -3.447 -3.204
301 HA ILE 35 HA ILE 35 -6.166 -2.277 -5.747
302 HB ILE 35 HB ILE 35 -4.124 -2.760 -3.555
303 HG12 ILE 35 HG12 ILE 35 -6.355 -0.817 -3.941
304 HG13 ILE 35 HG13 ILE 35 -5.713 -1.496 -2.451
305 HG21 ILE 35 HG21 ILE 35 -4.170 -0.537 -5.607
306 HG22 ILE 35 HG22 ILE 35 -3.319 -2.050 -5.905
307 HG23 ILE 35 HG23 ILE 35 -2.840 -1.023 -4.559
308 HD11 ILE 35 HD11 ILE 35 -4.648 0.786 -4.099
309 HD12 ILE 35 HD12 ILE 35 -3.585 -0.089 -2.996
310 HD13 ILE 35 HD13 ILE 35 -5.007 0.751 -2.374
311 H PHE 36 H PHE 36 -5.057 -5.346 -4.424
312 HA PHE 36 HA PHE 36 -3.290 -5.737 -6.771
313 HB2 PHE 36 HB2 PHE 36 -3.820 -7.524 -4.379
314 HB3 PHE 36 HB3 PHE 36 -2.596 -7.802 -5.617
315 HD1 PHE 36 HD1 PHE 36 -0.640 -6.304 -5.820
316 HD2 PHE 36 HD2 PHE 36 -3.548 -5.806 -2.698
317 HE1 PHE 36 HE1 PHE 36 0.922 -4.810 -4.602
318 HE2 PHE 36 HE2 PHE 36 -1.987 -4.314 -1.480
319 HZ PHE 36 HZ PHE 36 0.246 -3.815 -2.433
320 H GLY 37 H GLY 37 -3.952 -6.858 -8.526
321 HA2 GLY 37 HA2 GLY 37 -5.377 -9.174 -8.787
322 HA3 GLY 37 HA3 GLY 37 -6.661 -7.978 -8.585
323 H ARG 38 H ARG 38 -7.253 -6.772 -10.353
324 HA ARG 38 HA ARG 38 -5.636 -7.158 -12.835
325 HB2 ARG 38 HB2 ARG 38 -7.706 -6.575 -14.052
326 HB3 ARG 38 HB3 ARG 38 -7.968 -7.947 -12.976
327 HG2 ARG 38 HG2 ARG 38 -9.574 -6.824 -11.874
328 HG3 ARG 38 HG3 ARG 38 -8.456 -5.505 -11.530
329 HD2 ARG 38 HD2 ARG 38 -8.970 -4.413 -13.604
330 HD3 ARG 38 HD3 ARG 38 -9.858 -5.817 -14.193
331 HE ARG 38 HE ARG 38 -11.043 -4.868 -11.755
332 HH11 ARG 38 HH21 ARG 38 -10.614 -4.157 -15.100
333 HH12 ARG 38 HH22 ARG 38 -12.098 -3.274 -15.239
334 HH21 ARG 38 HH11 ARG 38 -12.983 -3.719 -11.917
335 HH22 ARG 38 HH12 ARG 38 -13.439 -3.027 -13.438
336 H HIS 39 H HIS 39 -7.154 -4.880 -14.074
337 HA HIS 39 HA HIS 39 -5.334 -2.815 -13.901
338 HB2 HIS 39 HB2 HIS 39 -8.278 -2.162 -13.929
339 HB3 HIS 39 HB3 HIS 39 -6.969 -1.385 -14.819
340 HD1 HIS 39 HD1 HIS 39 -9.712 -3.132 -15.757
341 HD2 HIS 39 HD2 HIS 39 -5.672 -4.008 -16.308
342 HE1 HIS 39 HE1 HIS 39 -9.585 -4.738 -17.714
343 HE2 HIS 39 HE2 HIS 39 -7.131 -5.276 -18.059
344 H SER 40 H SER 40 -5.489 -0.681 -12.731
345 HA SER 40 HA SER 40 -5.620 -1.155 -9.914
346 HB2 SER 40 HB2 SER 40 -5.213 1.277 -9.703
347 HB3 SER 40 HB3 SER 40 -4.101 0.528 -10.835
348 HG SER 40 HG SER 40 -6.542 1.535 -11.773
349 H GLY 41 H GLY 41 -6.908 0.366 -8.453
350 HA2 GLY 41 HA2 GLY 41 -8.979 1.131 -7.686
351 HA3 GLY 41 HA3 GLY 41 -9.454 1.366 -9.366
352 H GLN 42 H GLN 42 -9.793 -0.645 -6.604
353 HA GLN 42 HA GLN 42 -11.643 -2.380 -8.141
354 HB2 GLN 42 HB2 GLN 42 -9.043 -3.215 -7.100
355 HB3 GLN 42 HB3 GLN 42 -10.358 -4.185 -6.447
356 HG2 GLN 42 HG2 GLN 42 -9.659 -5.260 -8.472
357 HG3 GLN 42 HG3 GLN 42 -11.190 -4.470 -8.834
358 HE21 GLN 42 HE21 GLN 42 -8.271 -2.514 -8.473
359 HE22 GLN 42 HE22 GLN 42 -8.106 -2.134 -10.117
360 H ALA 43 H ALA 43 -10.350 -1.376 -4.992
361 HA ALA 43 HA ALA 43 -12.016 -2.651 -3.199
362 HB1 ALA 43 HB1 ALA 43 -11.188 0.264 -3.255
363 HB2 ALA 43 HB2 ALA 43 -10.426 -1.055 -2.368
364 HB3 ALA 43 HB3 ALA 43 -12.017 -0.473 -1.885
365 H GLU 44 H GLU 44 -14.173 -3.042 -3.436
366 HA GLU 44 HA GLU 44 -15.907 -1.302 -4.973
367 HB2 GLU 44 HB2 GLU 44 -16.533 -3.600 -3.096
368 HB3 GLU 44 HB3 GLU 44 -17.719 -2.804 -4.132
369 HG2 GLU 44 HG2 GLU 44 -16.349 -3.398 -6.119
370 HG3 GLU 44 HG3 GLU 44 -15.224 -4.253 -5.065
371 H GLY 45 H GLY 45 -15.499 -1.920 -1.478
372 HA2 GLY 45 HA2 GLY 45 -17.592 -0.138 -0.643
373 HA3 GLY 45 HA3 GLY 45 -16.259 -0.687 0.372
374 H TYR 46 H TYR 46 -14.086 0.313 -1.050
375 HA TYR 46 HA TYR 46 -14.454 3.239 -0.638
376 HB2 TYR 46 HB2 TYR 46 -12.653 2.386 0.682
377 HB3 TYR 46 HB3 TYR 46 -12.012 1.452 -0.667
378 HD1 TYR 46 HD2 TYR 46 -10.918 2.570 -2.569
379 HD2 TYR 46 HD1 TYR 46 -12.210 4.769 0.892
380 HE1 TYR 46 HE2 TYR 46 -9.522 4.491 -3.271
381 HE2 TYR 46 HE1 TYR 46 -10.815 6.693 0.187
382 HH TYR 46 HH TYR 46 -9.727 7.592 -1.666
383 H SER 47 H SER 47 -14.077 4.681 -2.319
384 HA SER 47 HA SER 47 -13.614 3.440 -4.996
385 HB2 SER 47 HB2 SER 47 -14.844 6.117 -4.282
386 HB3 SER 47 HB3 SER 47 -14.688 5.458 -5.909
387 HG SER 47 HG SER 47 -16.088 3.826 -5.360
388 H TYR 48 H TYR 48 -12.119 4.425 -6.433
389 HA TYR 48 HA TYR 48 -10.024 6.040 -5.054
390 HB2 TYR 48 HB2 TYR 48 -9.844 4.580 -7.707
391 HB3 TYR 48 HB3 TYR 48 -8.510 5.266 -6.781
392 HD1 TYR 48 HD1 TYR 48 -11.155 2.664 -6.741
393 HD2 TYR 48 HD2 TYR 48 -7.491 4.047 -5.000
394 HE1 TYR 48 HE1 TYR 48 -10.939 0.528 -5.503
395 HE2 TYR 48 HE2 TYR 48 -7.264 1.910 -3.768
396 HH TYR 48 HH TYR 48 -8.081 -0.451 -4.021
397 H THR 49 H THR 49 -8.944 7.701 -6.539
398 HA THR 49 HA THR 49 -10.952 9.496 -7.569
399 HB THR 49 HB THR 49 -9.244 11.005 -7.694
400 HG1 THR 49 HG1 THR 49 -7.780 8.896 -8.891
401 HG21 THR 49 HG21 THR 49 -7.559 10.595 -6.120
402 HG22 THR 49 HG22 THR 49 -7.423 8.895 -6.569
403 HG23 THR 49 HG23 THR 49 -8.812 9.453 -5.634
404 H ASP 50 H ASP 50 -11.123 10.200 -9.829
405 HA ASP 50 HA ASP 50 -11.382 8.061 -11.677
406 HB2 ASP 50 HB2 ASP 50 -11.076 11.041 -12.154
407 HB3 ASP 50 HB3 ASP 50 -11.517 9.882 -13.409
408 H ALA 51 H ALA 51 -8.688 10.207 -10.953
409 HA ALA 51 HA ALA 51 -7.063 9.761 -13.203
410 HB1 ALA 51 HB1 ALA 51 -6.225 10.062 -10.307
411 HB2 ALA 51 HB2 ALA 51 -6.484 11.375 -11.454
412 HB3 ALA 51 HB3 ALA 51 -5.152 10.245 -11.695
413 H ASN 52 H ASN 52 -7.112 7.829 -10.169
414 HA ASN 52 HA ASN 52 -5.217 5.884 -11.037
415 HB2 ASN 52 HB2 ASN 52 -6.002 6.041 -8.703
416 HB3 ASN 52 HB3 ASN 52 -7.599 5.479 -9.202
417 HD21 ASN 52 HD21 ASN 52 -7.216 3.563 -7.742
418 HD22 ASN 52 HD22 ASN 52 -6.268 2.276 -8.297
419 H ILE 53 H ILE 53 -8.741 6.037 -11.463
420 HA ILE 53 HA ILE 53 -8.952 3.463 -12.754
421 HB ILE 53 HB ILE 53 -10.827 5.828 -13.008
422 HG12 ILE 53 HG12 ILE 53 -10.493 5.424 -10.651
423 HG13 ILE 53 HG13 ILE 53 -12.031 4.685 -11.094
424 HG21 ILE 53 HG21 ILE 53 -11.375 2.851 -13.141
425 HG22 ILE 53 HG22 ILE 53 -11.124 3.862 -14.564
426 HG23 ILE 53 HG23 ILE 53 -12.501 4.159 -13.504
427 HD11 ILE 53 HD11 ILE 53 -10.987 3.000 -9.833
428 HD12 ILE 53 HD12 ILE 53 -9.398 3.347 -10.513
429 HD13 ILE 53 HD13 ILE 53 -10.619 2.533 -11.493
430 H LYS 54 H LYS 54 -8.858 6.799 -14.074
431 HA LYS 54 HA LYS 54 -9.138 6.072 -16.794
432 HB2 LYS 54 HB2 LYS 54 -7.685 8.397 -15.516
433 HB3 LYS 54 HB3 LYS 54 -7.968 8.256 -17.248
434 HG2 LYS 54 HG2 LYS 54 -10.414 8.088 -16.809
435 HG3 LYS 54 HG3 LYS 54 -10.097 8.342 -15.093
436 HD2 LYS 54 HD2 LYS 54 -9.001 10.515 -15.659
437 HD3 LYS 54 HD3 LYS 54 -9.463 10.270 -17.344
438 HE2 LYS 54 HE2 LYS 54 -11.517 11.083 -16.926
439 HE3 LYS 54 HE3 LYS 54 -11.769 9.855 -15.686
440 HZ1 LYS 54 HZ1 LYS 54 -10.644 12.569 -15.389
441 HZ2 LYS 54 HZ2 LYS 54 -10.346 11.362 -14.229
442 HZ3 LYS 54 HZ3 LYS 54 -11.939 11.861 -14.552
443 H LYS 55 H LYS 55 -6.190 6.338 -14.816
444 HA LYS 55 HA LYS 55 -4.348 5.885 -16.945
445 HB2 LYS 55 HB2 LYS 55 -4.154 5.239 -13.990
446 HB3 LYS 55 HB3 LYS 55 -2.801 5.100 -15.116
447 HG2 LYS 55 HG2 LYS 55 -3.110 7.502 -15.722
448 HG3 LYS 55 HG3 LYS 55 -4.366 7.621 -14.492
449 HD2 LYS 55 HD2 LYS 55 -2.708 6.911 -12.774
450 HD3 LYS 55 HD3 LYS 55 -1.459 6.902 -14.020
451 HE2 LYS 55 HE2 LYS 55 -2.955 9.394 -14.056
452 HE3 LYS 55 HE3 LYS 55 -2.244 9.101 -12.468
453 HZ1 LYS 55 HZ1 LYS 55 -0.481 8.493 -14.659
454 HZ2 LYS 55 HZ2 LYS 55 -0.193 9.400 -13.252
455 HZ3 LYS 55 HZ3 LYS 55 -0.935 10.126 -14.597
456 H ASN 56 H ASN 56 -6.266 3.666 -14.987
457 HA ASN 56 HA ASN 56 -6.575 1.348 -15.171
458 HB2 ASN 56 HB2 ASN 56 -7.164 2.257 -17.543
459 HB3 ASN 56 HB3 ASN 56 -5.612 1.562 -18.018
460 HD21 ASN 56 HD21 ASN 56 -5.342 -0.813 -17.723
461 HD22 ASN 56 HD22 ASN 56 -6.707 -1.819 -17.634
462 H VAL 57 H VAL 57 -4.169 1.966 -14.024
463 HA VAL 57 HA VAL 57 -2.115 0.366 -15.441
464 HB VAL 57 HB VAL 57 -1.599 2.640 -14.388
465 HG11 VAL 57 HG11 VAL 57 -1.460 1.117 -11.798
466 HG12 VAL 57 HG12 VAL 57 -2.968 1.895 -12.280
467 HG13 VAL 57 HG13 VAL 57 -1.510 2.861 -12.059
468 HG21 VAL 57 HG21 VAL 57 0.558 1.780 -13.382
469 HG22 VAL 57 HG22 VAL 57 0.208 1.151 -14.993
470 HG23 VAL 57 HG23 VAL 57 -0.080 0.146 -13.572
471 H LEU 58 H LEU 58 -1.092 -1.426 -14.350
472 HA LEU 58 HA LEU 58 -2.949 -2.817 -12.521
473 HB2 LEU 58 HB2 LEU 58 -2.014 -4.051 -14.444
474 HB3 LEU 58 HB3 LEU 58 -0.384 -3.753 -13.843
475 HG LEU 58 HG LEU 58 -0.969 -4.974 -11.746
476 HD11 LEU 58 HD11 LEU 58 -3.612 -4.930 -13.061
477 HD12 LEU 58 HD12 LEU 58 -3.204 -5.061 -11.349
478 HD13 LEU 58 HD13 LEU 58 -3.158 -6.492 -12.379
479 HD21 LEU 58 HD21 LEU 58 -0.160 -6.012 -14.088
480 HD22 LEU 58 HD22 LEU 58 -1.696 -6.865 -13.936
481 HD23 LEU 58 HD23 LEU 58 -0.471 -7.021 -12.675
482 H TRP 59 H TRP 59 -2.595 -2.931 -10.356
483 HA TRP 59 HA TRP 59 -0.173 -1.673 -9.248
484 HB2 TRP 59 HB2 TRP 59 -2.759 -2.699 -8.109
485 HB3 TRP 59 HB3 TRP 59 -1.384 -2.441 -7.042
486 HD1 TRP 59 HD1 TRP 59 -4.266 -0.696 -8.278
487 HE1 TRP 59 HE1 TRP 59 -4.010 1.868 -8.114
488 HE3 TRP 59 HE3 TRP 59 0.755 -0.401 -7.462
489 HZ2 TRP 59 HZ2 TRP 59 -1.932 3.772 -7.675
490 HZ3 TRP 59 HZ3 TRP 59 1.852 1.800 -7.168
491 HH2 TRP 59 HH2 TRP 59 0.518 3.887 -7.272
492 H ASP 60 H ASP 60 1.403 -2.795 -8.036
493 HA ASP 60 HA ASP 60 1.108 -5.683 -7.606
494 HB2 ASP 60 HB2 ASP 60 1.916 -5.497 -9.963
495 HB3 ASP 60 HB3 ASP 60 3.342 -4.650 -9.375
496 H GLU 61 H GLU 61 3.274 -6.508 -6.646
497 HA GLU 61 HA GLU 61 3.857 -4.914 -4.342
498 HB2 GLU 61 HB2 GLU 61 5.439 -7.201 -5.560
499 HB3 GLU 61 HB3 GLU 61 5.672 -6.559 -3.935
500 HG2 GLU 61 HG2 GLU 61 3.107 -7.788 -4.990
501 HG3 GLU 61 HG3 GLU 61 4.240 -8.569 -3.888
502 H ASN 62 H ASN 62 5.532 -5.348 -7.431
503 HA ASN 62 HA ASN 62 7.835 -3.760 -6.732
504 HB2 ASN 62 HB2 ASN 62 6.603 -4.438 -9.417
505 HB3 ASN 62 HB3 ASN 62 8.157 -3.631 -9.218
506 HD21 ASN 62 HD21 ASN 62 7.978 -6.198 -10.478
507 HD22 ASN 62 HD22 ASN 62 8.729 -7.342 -9.475
508 H ASN 63 H ASN 63 4.755 -3.030 -8.332
509 HA ASN 63 HA ASN 63 5.278 -0.324 -9.011
510 HB2 ASN 63 HB2 ASN 63 2.663 -1.594 -8.146
511 HB3 ASN 63 HB3 ASN 63 2.816 -0.038 -8.960
512 HD21 ASN 63 HD21 ASN 63 1.391 -2.323 -10.073
513 HD22 ASN 63 HD22 ASN 63 2.206 -2.783 -11.487
514 H MET 64 H MET 64 4.171 -1.789 -5.983
515 HA MET 64 HA MET 64 3.516 0.600 -4.595
516 HB2 MET 64 HB2 MET 64 4.547 -2.085 -3.679
517 HB3 MET 64 HB3 MET 64 4.205 -0.789 -2.532
518 HG2 MET 64 HG2 MET 64 2.350 -2.595 -3.280
519 HG3 MET 64 HG3 MET 64 1.938 -0.941 -2.832
520 HE1 MET 64 HE1 MET 64 -0.072 -1.520 -3.744
521 HE2 MET 64 HE2 MET 64 -0.177 -2.607 -5.124
522 HE3 MET 64 HE3 MET 64 -0.554 -0.897 -5.329
523 H SER 65 H SER 65 6.640 -1.002 -5.124
524 HA SER 65 HA SER 65 8.180 0.618 -3.353
525 HB2 SER 65 HB2 SER 65 9.010 -1.437 -4.564
526 HB3 SER 65 HB3 SER 65 9.078 -0.475 -6.037
527 HG SER 65 HG SER 65 10.308 0.464 -3.693
528 H GLU 66 H GLU 66 7.186 1.069 -6.723
529 HA GLU 66 HA GLU 66 8.570 3.567 -7.106
530 HB2 GLU 66 HB2 GLU 66 7.689 2.133 -8.969
531 HB3 GLU 66 HB3 GLU 66 6.055 2.595 -8.495
532 HG2 GLU 66 HG2 GLU 66 6.670 4.988 -8.831
533 HG3 GLU 66 HG3 GLU 66 8.256 4.471 -9.409
534 H TYR 67 H TYR 67 5.423 2.675 -5.809
535 HA TYR 67 HA TYR 67 4.200 5.240 -5.846
536 HB2 TYR 67 HB2 TYR 67 2.900 3.258 -5.315
537 HB3 TYR 67 HB3 TYR 67 3.881 2.958 -3.878
538 HD1 TYR 67 HD1 TYR 67 3.873 4.636 -2.003
539 HD2 TYR 67 HD2 TYR 67 1.104 4.812 -5.265
540 HE1 TYR 67 HE1 TYR 67 2.425 6.149 -0.684
541 HE2 TYR 67 HE2 TYR 67 -0.349 6.337 -3.953
542 HH TYR 67 HH TYR 67 -0.686 7.308 -1.985
543 H LEU 68 H LEU 68 5.999 3.659 -3.182
544 HA LEU 68 HA LEU 68 5.899 5.923 -1.449
545 HB2 LEU 68 HB2 LEU 68 7.853 3.614 -1.599
546 HB3 LEU 68 HB3 LEU 68 7.772 4.759 -0.265
547 HG LEU 68 HG LEU 68 5.393 3.131 -1.194
548 HD11 LEU 68 HD11 LEU 68 7.122 2.565 1.221
549 HD12 LEU 68 HD12 LEU 68 7.340 1.741 -0.325
550 HD13 LEU 68 HD13 LEU 68 5.824 1.567 0.560
551 HD21 LEU 68 HD21 LEU 68 5.241 3.811 1.537
552 HD22 LEU 68 HD22 LEU 68 4.295 4.503 0.222
553 HD23 LEU 68 HD23 LEU 68 5.801 5.270 0.723
554 H THR 69 H THR 69 8.325 4.871 -3.814
555 HA THR 69 HA THR 69 10.130 7.069 -3.214
556 HB THR 69 HB THR 69 11.371 6.319 -5.172
557 HG1 THR 69 HG1 THR 69 8.893 5.222 -5.776
558 HG21 THR 69 HG21 THR 69 11.688 4.938 -3.229
559 HG22 THR 69 HG22 THR 69 11.542 3.858 -4.615
560 HG23 THR 69 HG23 THR 69 10.175 4.081 -3.523
561 H ASN 70 H ASN 70 7.563 6.494 -5.584
562 HA ASN 70 HA ASN 70 7.476 9.399 -6.113
563 HB2 ASN 70 HB2 ASN 70 9.044 8.284 -7.802
564 HB3 ASN 70 HB3 ASN 70 7.615 7.462 -8.430
565 HD21 ASN 70 HD21 ASN 70 6.645 8.567 -10.128
566 HD22 ASN 70 HD22 ASN 70 6.678 10.250 -10.345
567 H HIS 71 H HIS 71 5.356 9.755 -5.585
568 HA HIS 71 HA HIS 71 3.308 8.141 -7.023
569 HB2 HIS 71 HB2 HIS 71 1.949 8.291 -4.808
570 HB3 HIS 71 HB3 HIS 71 3.207 7.065 -4.927
571 HD1 HIS 71 HD1 HIS 71 5.726 8.622 -4.359
572 HD2 HIS 71 HD2 HIS 71 2.197 9.253 -2.226
573 HE1 HIS 71 HE1 HIS 71 6.398 9.679 -2.154
574 HE2 HIS 71 HE2 HIS 71 4.257 10.069 -0.851
575 H ALA 72 H ALA 72 3.996 10.594 -7.921
576 HA ALA 72 HA ALA 72 1.903 12.428 -6.813
577 HB1 ALA 72 HB1 ALA 72 4.612 12.939 -8.017
578 HB2 ALA 72 HB2 ALA 72 3.923 13.579 -6.525
579 HB3 ALA 72 HB3 ALA 72 3.366 14.185 -8.084
580 H LYS 73 H LYS 73 3.528 13.039 -9.838
581 HA LYS 73 HA LYS 73 1.114 13.415 -11.283
582 HB2 LYS 73 HB2 LYS 73 3.345 14.304 -11.966
583 HB3 LYS 73 HB3 LYS 73 3.820 12.669 -12.427
584 HG2 LYS 73 HG2 LYS 73 1.910 12.583 -14.014
585 HG3 LYS 73 HG3 LYS 73 1.505 14.247 -13.589
586 HD2 LYS 73 HD2 LYS 73 3.807 14.932 -14.314
587 HD3 LYS 73 HD3 LYS 73 4.075 13.282 -14.874
588 HE2 LYS 73 HE2 LYS 73 1.870 13.621 -16.215
589 HE3 LYS 73 HE3 LYS 73 2.149 15.339 -15.936
590 HZ1 LYS 73 HZ1 LYS 73 3.514 13.526 -17.694
591 HZ2 LYS 73 HZ2 LYS 73 4.576 14.434 -16.726
592 HZ3 LYS 73 HZ3 LYS 73 3.448 15.220 -17.725
593 H TYR 74 H TYR 74 3.131 10.542 -10.899
594 HA TYR 74 HA TYR 74 2.037 8.918 -12.924
595 HB2 TYR 74 HB2 TYR 74 3.918 8.065 -11.797
596 HB3 TYR 74 HB3 TYR 74 3.196 8.321 -10.210
597 HD1 TYR 74 HD1 TYR 74 1.773 6.699 -13.283
598 HD2 TYR 74 HD2 TYR 74 3.040 6.229 -9.209
599 HE1 TYR 74 HE1 TYR 74 0.902 4.378 -13.281
600 HE2 TYR 74 HE2 TYR 74 2.169 3.909 -9.202
601 HH TYR 74 HH TYR 74 0.036 2.743 -11.210
602 H ILE 75 H ILE 75 0.854 9.386 -9.589
603 HA ILE 75 HA ILE 75 -1.743 8.152 -10.455
604 HB ILE 75 HB ILE 75 -1.723 7.767 -7.760
605 HG12 ILE 75 HG12 ILE 75 1.130 7.313 -8.632
606 HG13 ILE 75 HG13 ILE 75 0.616 8.755 -7.758
607 HG21 ILE 75 HG21 ILE 75 -0.589 5.462 -8.476
608 HG22 ILE 75 HG22 ILE 75 -0.854 6.100 -10.095
609 HG23 ILE 75 HG23 ILE 75 -2.221 5.865 -9.003
610 HD11 ILE 75 HD11 ILE 75 0.053 7.551 -5.839
611 HD12 ILE 75 HD12 ILE 75 1.499 6.713 -6.403
612 HD13 ILE 75 HD13 ILE 75 -0.100 6.033 -6.723
613 HA PRO 76 HA PRO 76 -4.206 11.587 -9.199
614 HB2 PRO 76 HB2 PRO 76 -5.096 10.371 -6.692
615 HB3 PRO 76 HB3 PRO 76 -6.034 10.754 -8.142
616 HG2 PRO 76 HG2 PRO 76 -4.924 8.214 -7.296
617 HG3 PRO 76 HG3 PRO 76 -6.070 8.553 -8.602
618 HD2 PRO 76 HD2 PRO 76 -3.502 7.715 -9.050
619 HD3 PRO 76 HD3 PRO 76 -4.403 8.711 -10.201
620 H GLY 77 H GLY 77 -4.181 13.359 -7.655
621 HA2 GLY 77 HA2 GLY 77 -1.670 13.730 -6.316
622 HA3 GLY 77 HA3 GLY 77 -3.078 14.782 -6.147
623 H THR 78 H THR 78 -3.866 11.565 -5.494
624 HA THR 78 HA THR 78 -4.792 11.857 -2.926
625 HB THR 78 HB THR 78 -4.838 9.757 -4.381
626 HG1 THR 78 HG1 THR 78 -4.600 9.983 -1.655
627 HG21 THR 78 HG21 THR 78 -2.378 8.895 -2.914
628 HG22 THR 78 HG22 THR 78 -2.182 9.869 -4.373
629 HG23 THR 78 HG23 THR 78 -3.026 8.322 -4.452
630 H LYS 79 H LYS 79 -3.935 11.983 -0.873
631 HA LYS 79 HA LYS 79 -0.954 11.844 -0.625
632 HB2 LYS 79 HB2 LYS 79 -2.861 13.753 0.767
633 HB3 LYS 79 HB3 LYS 79 -1.129 13.639 1.080
634 HG2 LYS 79 HG2 LYS 79 -0.711 14.164 -1.334
635 HG3 LYS 79 HG3 LYS 79 -2.445 14.419 -1.536
636 HD2 LYS 79 HD2 LYS 79 -2.358 16.160 0.252
637 HD3 LYS 79 HD3 LYS 79 -0.606 15.960 0.316
638 HE2 LYS 79 HE2 LYS 79 -2.289 17.041 -1.940
639 HE3 LYS 79 HE3 LYS 79 -0.899 17.785 -1.151
640 HZ1 LYS 79 HZ1 LYS 79 0.551 16.211 -2.143
641 HZ2 LYS 79 HZ2 LYS 79 -0.438 16.823 -3.383
642 HZ3 LYS 79 HZ3 LYS 79 -0.740 15.282 -2.732
643 H MET 80 H MET 80 -0.185 10.946 1.356
644 HA MET 80 HA MET 80 -2.289 9.606 3.019
645 HB2 MET 80 HB2 MET 80 0.497 8.555 2.469
646 HB3 MET 80 HB3 MET 80 -0.815 7.709 3.289
647 HG2 MET 80 HG2 MET 80 -2.146 7.995 1.113
648 HG3 MET 80 HG3 MET 80 -0.617 8.448 0.364
649 HE1 MET 80 HE1 MET 80 1.578 6.993 1.250
650 HE2 MET 80 HE2 MET 80 1.526 5.254 1.515
651 HE3 MET 80 HE3 MET 80 0.947 6.344 2.770
652 H ALA 81 H ALA 81 -1.588 9.237 5.291
653 HA ALA 81 HA ALA 81 0.007 11.540 6.243
654 HB1 ALA 81 HB1 ALA 81 -2.275 10.712 7.221
655 HB2 ALA 81 HB2 ALA 81 -1.002 11.211 8.336
656 HB3 ALA 81 HB3 ALA 81 -1.288 9.497 8.035
657 H PHE 82 H PHE 82 1.244 9.178 4.899
658 HA PHE 82 HA PHE 82 2.737 7.900 7.120
659 HB2 PHE 82 HB2 PHE 82 1.848 6.616 5.088
660 HB3 PHE 82 HB3 PHE 82 3.101 7.429 4.152
661 HD1 PHE 82 HD2 PHE 82 2.417 5.004 6.831
662 HD2 PHE 82 HD1 PHE 82 5.480 6.911 4.494
663 HE1 PHE 82 HE2 PHE 82 4.062 3.330 7.619
664 HE2 PHE 82 HE1 PHE 82 7.125 5.232 5.287
665 HZ PHE 82 HZ PHE 82 6.415 3.444 6.851
666 H GLY 83 H GLY 83 4.736 8.627 7.697
667 HA2 GLY 83 HA2 GLY 83 5.918 10.861 6.194
668 HA3 GLY 83 HA3 GLY 83 6.516 10.206 7.721
669 H GLY 84 H GLY 84 8.400 9.114 7.555
670 HA2 GLY 84 HA2 GLY 84 8.913 7.552 5.067
671 HA3 GLY 84 HA3 GLY 84 10.148 8.655 5.673
672 H LEU 85 H LEU 85 10.581 5.856 5.429
673 HA LEU 85 HA LEU 85 10.418 4.859 8.220
674 HB2 LEU 85 HB2 LEU 85 10.954 3.562 5.553
675 HB3 LEU 85 HB3 LEU 85 11.302 2.731 7.063
676 HG LEU 85 HG LEU 85 8.617 4.008 6.716
677 HD11 LEU 85 HD11 LEU 85 9.278 1.226 5.715
678 HD12 LEU 85 HD12 LEU 85 9.111 2.620 4.647
679 HD13 LEU 85 HD13 LEU 85 7.733 2.066 5.595
680 HD21 LEU 85 HD21 LEU 85 9.683 1.538 8.123
681 HD22 LEU 85 HD22 LEU 85 7.988 2.030 8.125
682 HD23 LEU 85 HD23 LEU 85 9.204 3.055 8.884
683 H LYS 86 H LYS 86 12.184 5.027 9.500
684 HA LYS 86 HA LYS 86 14.671 6.110 8.604
685 HB2 LYS 86 HB2 LYS 86 14.030 4.463 11.073
686 HB3 LYS 86 HB3 LYS 86 15.539 5.343 10.819
687 HG2 LYS 86 HG2 LYS 86 14.218 7.450 10.569
688 HG3 LYS 86 HG3 LYS 86 12.757 6.543 10.961
689 HD2 LYS 86 HD2 LYS 86 13.802 5.877 13.131
690 HD3 LYS 86 HD3 LYS 86 15.183 6.905 12.745
691 HE2 LYS 86 HE2 LYS 86 14.078 8.693 13.540
692 HE3 LYS 86 HE3 LYS 86 12.807 8.440 12.344
693 HZ1 LYS 86 HZ1 LYS 86 11.539 7.245 13.805
694 HZ2 LYS 86 HZ2 LYS 86 12.270 8.348 14.873
695 HZ3 LYS 86 HZ3 LYS 86 12.860 6.759 14.750
696 H LYS 87 H LYS 87 13.494 2.804 8.982
697 HA LYS 87 HA LYS 87 16.089 1.807 7.880
698 HB2 LYS 87 HB2 LYS 87 13.916 0.356 9.422
699 HB3 LYS 87 HB3 LYS 87 15.361 -0.409 8.763
700 HG2 LYS 87 HG2 LYS 87 16.759 1.156 10.117
701 HG3 LYS 87 HG3 LYS 87 15.285 1.797 10.842
702 HD2 LYS 87 HD2 LYS 87 14.722 -0.508 11.630
703 HD3 LYS 87 HD3 LYS 87 16.275 -1.065 11.004
704 HE2 LYS 87 HE2 LYS 87 16.681 1.284 12.622
705 HE3 LYS 87 HE3 LYS 87 15.759 0.092 13.537
706 HZ1 LYS 87 HZ1 LYS 87 18.064 -0.344 13.850
707 HZ2 LYS 87 HZ2 LYS 87 18.365 -0.317 12.178
708 HZ3 LYS 87 HZ3 LYS 87 17.444 -1.573 12.859
709 H GLU 88 H GLU 88 15.961 1.468 5.730
710 HA GLU 88 HA GLU 88 13.511 1.315 4.259
711 HB2 GLU 88 HB2 GLU 88 16.322 0.473 3.497
712 HB3 GLU 88 HB3 GLU 88 14.975 0.598 2.365
713 HG2 GLU 88 HG2 GLU 88 14.715 2.993 2.974
714 HG3 GLU 88 HG3 GLU 88 16.114 2.856 4.039
715 H LYS 89 H LYS 89 15.568 -1.139 5.725
716 HA LYS 89 HA LYS 89 14.645 -3.428 4.354
717 HB2 LYS 89 HB2 LYS 89 16.486 -3.409 6.049
718 HB3 LYS 89 HB3 LYS 89 15.269 -3.243 7.316
719 HG2 LYS 89 HG2 LYS 89 14.218 -5.362 6.553
720 HG3 LYS 89 HG3 LYS 89 15.493 -5.539 5.347
721 HD2 LYS 89 HD2 LYS 89 17.177 -5.481 7.207
722 HD3 LYS 89 HD3 LYS 89 15.840 -5.486 8.357
723 HE2 LYS 89 HE2 LYS 89 15.266 -7.576 6.576
724 HE3 LYS 89 HE3 LYS 89 16.996 -7.708 6.891
725 HZ1 LYS 89 HZ1 LYS 89 15.346 -8.836 8.488
726 HZ2 LYS 89 HZ2 LYS 89 15.110 -7.273 9.112
727 HZ3 LYS 89 HZ3 LYS 89 16.655 -7.979 9.140
728 H ASP 90 H ASP 90 13.218 -1.743 7.146
729 HA ASP 90 HA ASP 90 11.076 -3.571 7.583
730 HB2 ASP 90 HB2 ASP 90 11.249 -0.578 8.050
731 HB3 ASP 90 HB3 ASP 90 9.945 -1.600 8.646
732 H ARG 91 H ARG 91 11.444 -0.825 5.383
733 HA ARG 91 HA ARG 91 8.771 -0.620 4.472
734 HB2 ARG 91 HB2 ARG 91 10.629 0.961 3.897
735 HB3 ARG 91 HB3 ARG 91 11.283 -0.268 2.814
736 HG2 ARG 91 HG2 ARG 91 9.195 -0.259 1.516
737 HG3 ARG 91 HG3 ARG 91 8.514 0.950 2.606
738 HD2 ARG 91 HD2 ARG 91 9.357 2.125 0.675
739 HD3 ARG 91 HD3 ARG 91 10.459 2.452 2.012
740 HE ARG 91 HE ARG 91 11.467 0.185 0.668
741 HH11 ARG 91 HH21 ARG 91 10.760 3.508 0.083
742 HH12 ARG 91 HH22 ARG 91 12.012 3.704 -1.098
743 HH21 ARG 91 HH11 ARG 91 13.106 0.422 -0.870
744 HH22 ARG 91 HH12 ARG 91 13.340 1.956 -1.637
745 H ASN 92 H ASN 92 11.400 -2.754 3.389
746 HA ASN 92 HA ASN 92 10.038 -3.918 1.186
747 HB2 ASN 92 HB2 ASN 92 12.082 -5.162 3.049
748 HB3 ASN 92 HB3 ASN 92 11.624 -5.795 1.471
749 HD21 ASN 92 HD21 ASN 92 11.475 -3.391 -0.028
750 HD22 ASN 92 HD22 ASN 92 13.021 -2.695 -0.108
751 H ASP 93 H ASP 93 10.044 -4.761 4.634
752 HA ASP 93 HA ASP 93 8.531 -7.167 4.404
753 HB2 ASP 93 HB2 ASP 93 8.734 -5.152 6.659
754 HB3 ASP 93 HB3 ASP 93 7.951 -6.723 6.807
755 H LEU 94 H LEU 94 7.547 -3.774 4.722
756 HA LEU 94 HA LEU 94 4.763 -4.204 5.094
757 HB2 LEU 94 HB2 LEU 94 6.175 -1.951 3.638
758 HB3 LEU 94 HB3 LEU 94 4.514 -1.910 4.215
759 HG LEU 94 HG LEU 94 6.973 -2.267 5.949
760 HD11 LEU 94 HD11 LEU 94 5.301 0.013 6.544
761 HD12 LEU 94 HD12 LEU 94 5.803 0.059 4.854
762 HD13 LEU 94 HD13 LEU 94 7.015 -0.026 6.131
763 HD21 LEU 94 HD21 LEU 94 5.365 -3.351 7.201
764 HD22 LEU 94 HD22 LEU 94 4.035 -2.490 6.429
765 HD23 LEU 94 HD23 LEU 94 4.997 -1.692 7.673
766 H ILE 95 H ILE 95 6.669 -3.845 2.103
767 HA ILE 95 HA ILE 95 4.497 -3.965 0.288
768 HB ILE 95 HB ILE 95 7.341 -4.947 -0.042
769 HG12 ILE 95 HG12 ILE 95 6.067 -2.301 -0.801
770 HG13 ILE 95 HG13 ILE 95 7.083 -2.545 0.620
771 HG21 ILE 95 HG21 ILE 95 6.844 -4.510 -2.474
772 HG22 ILE 95 HG22 ILE 95 5.149 -4.319 -2.027
773 HG23 ILE 95 HG23 ILE 95 5.957 -5.867 -1.782
774 HD11 ILE 95 HD11 ILE 95 8.898 -2.198 -0.662
775 HD12 ILE 95 HD12 ILE 95 7.890 -2.076 -2.103
776 HD13 ILE 95 HD13 ILE 95 8.491 -3.649 -1.579
777 H THR 96 H THR 96 6.565 -6.570 1.577
778 HA THR 96 HA THR 96 5.269 -8.717 0.219
779 HB THR 96 HB THR 96 6.495 -8.834 2.991
780 HG1 THR 96 HG1 THR 96 7.773 -9.177 0.488
781 HG21 THR 96 HG21 THR 96 6.137 -11.043 2.805
782 HG22 THR 96 HG22 THR 96 7.065 -11.072 1.305
783 HG23 THR 96 HG23 THR 96 5.327 -10.775 1.261
784 H TYR 97 H TYR 97 4.618 -7.193 3.367
785 HA TYR 97 HA TYR 97 2.523 -8.941 4.184
786 HB2 TYR 97 HB2 TYR 97 3.606 -7.295 5.689
787 HB3 TYR 97 HB3 TYR 97 2.841 -5.985 4.791
788 HD1 TYR 97 HD2 TYR 97 2.255 -8.851 7.048
789 HD2 TYR 97 HD1 TYR 97 0.470 -5.526 4.996
790 HE1 TYR 97 HE2 TYR 97 0.202 -9.108 8.416
791 HE2 TYR 97 HE1 TYR 97 -1.583 -5.784 6.363
792 HH TYR 97 HH TYR 97 -2.722 -7.447 7.671
793 H LEU 98 H LEU 98 2.472 -6.000 2.180
794 HA LEU 98 HA LEU 98 -0.331 -5.685 1.988
795 HB2 LEU 98 HB2 LEU 98 1.986 -4.678 0.625
796 HB3 LEU 98 HB3 LEU 98 0.771 -5.132 -0.573
797 HG LEU 98 HG LEU 98 -0.927 -3.833 0.704
798 HD11 LEU 98 HD11 LEU 98 -0.410 -3.437 2.869
799 HD12 LEU 98 HD12 LEU 98 0.599 -2.122 2.265
800 HD13 LEU 98 HD13 LEU 98 1.310 -3.703 2.588
801 HD21 LEU 98 HD21 LEU 98 0.734 -1.595 0.407
802 HD22 LEU 98 HD22 LEU 98 -0.320 -2.287 -0.826
803 HD23 LEU 98 HD23 LEU 98 1.372 -2.778 -0.735
804 H LYS 99 H LYS 99 1.852 -7.806 0.159
805 HA LYS 99 HA LYS 99 -0.037 -8.771 -1.730
806 HB2 LYS 99 HB2 LYS 99 2.455 -9.274 -1.689
807 HB3 LYS 99 HB3 LYS 99 2.126 -10.433 -0.403
808 HG2 LYS 99 HG2 LYS 99 0.419 -11.494 -1.976
809 HG3 LYS 99 HG3 LYS 99 1.113 -10.493 -3.251
810 HD2 LYS 99 HD2 LYS 99 2.723 -12.392 -1.522
811 HD3 LYS 99 HD3 LYS 99 2.117 -12.791 -3.131
812 HE2 LYS 99 HE2 LYS 99 3.323 -10.682 -3.943
813 HE3 LYS 99 HE3 LYS 99 4.134 -10.669 -2.377
814 HZ1 LYS 99 HZ1 LYS 99 5.418 -12.384 -2.948
815 HZ2 LYS 99 HZ2 LYS 99 4.962 -12.043 -4.550
816 HZ3 LYS 99 HZ3 LYS 99 4.142 -13.241 -3.666
817 H LYS 100 H LYS 100 0.705 -9.797 1.582
818 HA LYS 100 HA LYS 100 -1.073 -12.026 1.672
819 HB2 LYS 100 HB2 LYS 100 0.689 -11.525 3.380
820 HB3 LYS 100 HB3 LYS 100 -0.310 -10.192 3.961
821 HG2 LYS 100 HG2 LYS 100 -2.119 -11.733 4.514
822 HG3 LYS 100 HG3 LYS 100 -1.211 -13.083 3.833
823 HD2 LYS 100 HD2 LYS 100 -0.921 -13.131 6.235
824 HD3 LYS 100 HD3 LYS 100 0.604 -12.617 5.513
825 HE2 LYS 100 HE2 LYS 100 0.309 -10.383 6.164
826 HE3 LYS 100 HE3 LYS 100 -1.434 -10.570 6.357
827 HZ1 LYS 100 HZ1 LYS 100 0.729 -11.305 8.177
828 HZ2 LYS 100 HZ2 LYS 100 -0.634 -12.318 8.138
829 HZ3 LYS 100 HZ3 LYS 100 -0.806 -10.671 8.518
830 H ALA 101 H ALA 101 -1.610 -8.560 2.082
831 HA ALA 101 HA ALA 101 -4.171 -8.677 3.298
832 HB1 ALA 101 HB1 ALA 101 -4.072 -6.523 1.392
833 HB2 ALA 101 HB2 ALA 101 -2.500 -6.678 2.177
834 HB3 ALA 101 HB3 ALA 101 -3.952 -6.443 3.150
835 H THR 102 H THR 102 -3.233 -8.870 -0.131
836 HA THR 102 HA THR 102 -5.963 -8.875 -1.093
837 HB THR 102 HB THR 102 -3.599 -8.563 -2.343
838 HG1 THR 102 HG1 THR 102 -5.779 -9.791 -3.652
839 HG21 THR 102 HG21 THR 102 -2.940 -10.481 -3.576
840 HG22 THR 102 HG22 THR 102 -4.398 -11.367 -3.130
841 HG23 THR 102 HG23 THR 102 -3.150 -11.056 -1.924
842 H GLU 103 H GLU 103 -3.771 -11.351 0.082
843 HA GLU 103 HA GLU 103 -4.085 -13.661 0.391
844 HB2 GLU 103 HB2 GLU 103 -5.822 -12.695 1.921
845 HB3 GLU 103 HB3 GLU 103 -6.993 -12.823 0.607
846 HG2 GLU 103 HG2 GLU 103 -6.536 -15.272 0.485
847 HG3 GLU 103 HG3 GLU 103 -5.463 -15.114 1.877
848 HHA HEC 104 HA HEC 104 -4.131 4.346 -2.316
849 HHB HEC 104 HB HEC 104 0.657 1.272 0.387
850 HHC HEC 104 HC HEC 104 -0.381 4.393 5.800
851 HHD HEC 104 HD HEC 104 -5.052 7.628 3.003
852 HMA1 HEC 104 1HMA HEC 104 -0.355 -0.016 -1.199
853 HMA2 HEC 104 2HMA HEC 104 0.470 0.884 -2.472
854 HMA3 HEC 104 3HMA HEC 104 -1.145 0.227 -2.759
855 HAA1 HEC 104 1HAA HEC 104 -1.582 2.115 -4.110
856 HAA2 HEC 104 2HAA HEC 104 -3.264 2.549 -3.850
857 HBA1 HEC 104 1HBA HEC 104 -0.995 4.245 -4.575
858 HBA2 HEC 104 2HBA HEC 104 -1.961 4.896 -3.250
859 HMB1 HEC 104 1HMB HEC 104 2.416 0.395 2.791
860 HMB2 HEC 104 2HMB HEC 104 2.561 1.580 1.497
861 HMB3 HEC 104 3HMB HEC 104 3.179 1.956 3.099
862 HAB HEC 104 HAB HEC 104 1.814 2.760 5.961
863 HBB1 HEC 104 1HBB HEC 104 2.862 0.817 4.990
864 HBB2 HEC 104 2HBB HEC 104 1.303 0.038 4.723
865 HBB3 HEC 104 3HBB HEC 104 1.926 0.236 6.354
866 HMC1 HEC 104 1HMC HEC 104 -0.611 6.891 6.536
867 HMC2 HEC 104 2HMC HEC 104 -1.658 5.879 7.530
868 HMC3 HEC 104 3HMC HEC 104 -2.115 7.547 7.182
869 HAC HEC 104 HAC HEC 104 -5.440 7.431 5.195
870 HBC1 HEC 104 1HBC HEC 104 -3.345 9.318 5.295
871 HBC2 HEC 104 2HBC HEC 104 -5.063 9.626 5.542
872 HBC3 HEC 104 3HBC HEC 104 -4.025 9.272 6.922
873 HMD1 HEC 104 1HMD HEC 104 -6.263 8.590 -0.485
874 HMD2 HEC 104 2HMD HEC 104 -5.502 8.909 1.074
875 HMD3 HEC 104 3HMD HEC 104 -7.064 8.092 1.006
876 HAD1 HEC 104 1HAD HEC 104 -7.042 6.750 -1.630
877 HAD2 HEC 104 2HAD HEC 104 -6.714 5.027 -1.748
878 HBD1 HEC 104 1HBD HEC 104 -4.589 6.518 -3.011
879 HBD2 HEC 104 2HBD HEC 104 -5.669 5.312 -3.711
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