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 |
|
|
524413 |
2lir   |
17903 | 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 -12.462 2.756 7.055
2 H2 THR -5 H2 THR -5 -12.831 1.110 7.261
3 H3 THR -5 H3 THR -5 -12.827 2.157 8.600
4 HA THR -5 HA THR -5 -14.894 1.654 6.662
5 HB THR -5 HB THR -5 -15.908 3.120 8.782
6 HG1 THR -5 HG1 THR -5 -14.706 2.762 10.494
7 HG21 THR -5 HG21 THR -5 -15.393 0.139 8.584
8 HG22 THR -5 HG22 THR -5 -16.792 0.998 7.939
9 HG23 THR -5 HG23 THR -5 -16.547 0.896 9.683
10 H GLU -4 H GLU -4 -13.631 4.586 8.297
11 HA GLU -4 HA GLU -4 -15.015 6.219 6.226
12 HB2 GLU -4 HB2 GLU -4 -15.387 6.759 8.646
13 HB3 GLU -4 HB3 GLU -4 -13.667 7.126 8.787
14 HG2 GLU -4 HG2 GLU -4 -13.920 8.835 6.987
15 HG3 GLU -4 HG3 GLU -4 -15.654 8.514 6.965
16 H PHE -3 H PHE -3 -13.840 7.498 4.805
17 HA PHE -3 HA PHE -3 -10.901 7.075 4.824
18 HB2 PHE -3 HB2 PHE -3 -12.176 6.491 2.762
19 HB3 PHE -3 HB3 PHE -3 -12.659 8.179 2.629
20 HD1 PHE -3 HD1 PHE -3 -9.819 5.826 2.445
21 HD2 PHE -3 HD2 PHE -3 -11.083 9.903 1.970
22 HE1 PHE -3 HE1 PHE -3 -7.683 6.355 1.304
23 HE2 PHE -3 HE2 PHE -3 -8.947 10.432 0.828
24 HZ PHE -3 HZ PHE -3 -7.247 8.658 0.495
25 H LYS -2 H LYS -2 -9.557 8.748 5.306
26 HA LYS -2 HA LYS -2 -10.755 11.475 5.498
27 HB2 LYS -2 HB2 LYS -2 -8.314 10.392 6.930
28 HB3 LYS -2 HB3 LYS -2 -9.075 11.960 7.195
29 HG2 LYS -2 HG2 LYS -2 -10.459 9.298 7.628
30 HG3 LYS -2 HG3 LYS -2 -9.712 10.247 8.912
31 HD2 LYS -2 HD2 LYS -2 -11.215 12.183 8.115
32 HD3 LYS -2 HD3 LYS -2 -12.110 10.955 7.219
33 HE2 LYS -2 HE2 LYS -2 -13.168 11.266 9.386
34 HE3 LYS -2 HE3 LYS -2 -12.403 9.677 9.345
35 HZ1 LYS -2 HZ1 LYS -2 -10.645 11.755 10.250
36 HZ2 LYS -2 HZ2 LYS -2 -10.988 10.244 10.947
37 HZ3 LYS -2 HZ3 LYS -2 -12.007 11.571 11.245
38 H ALA -1 H ALA -1 -9.491 13.245 4.691
39 HA ALA -1 HA ALA -1 -7.193 12.454 2.959
40 HB1 ALA -1 HB1 ALA -1 -9.690 13.268 2.040
41 HB2 ALA -1 HB2 ALA -1 -8.193 13.270 1.108
42 HB3 ALA -1 HB3 ALA -1 -8.709 14.731 1.950
43 H GLY 1 H GLY 1 -6.175 14.725 2.146
44 HA2 GLY 1 HA2 GLY 1 -6.260 16.895 4.063
45 HA3 GLY 1 HA3 GLY 1 -4.828 15.889 4.289
46 H SER 2 H SER 2 -3.428 15.579 2.349
47 HA SER 2 HA SER 2 -3.784 17.477 0.142
48 HB2 SER 2 HB2 SER 2 -1.978 18.874 0.591
49 HB3 SER 2 HB3 SER 2 -2.571 18.581 2.223
50 HG SER 2 HG SER 2 -0.185 18.158 1.438
51 H ALA 3 H ALA 3 -3.301 16.228 -1.588
52 HA ALA 3 HA ALA 3 -1.793 13.783 -1.382
53 HB1 ALA 3 HB1 ALA 3 -2.531 13.409 -3.498
54 HB2 ALA 3 HB2 ALA 3 -2.012 14.998 -4.060
55 HB3 ALA 3 HB3 ALA 3 -3.548 14.821 -3.211
56 H LYS 4 H LYS 4 -0.966 17.084 -2.270
57 HA LYS 4 HA LYS 4 1.411 16.845 -3.638
58 HB2 LYS 4 HB2 LYS 4 1.813 18.667 -1.410
59 HB3 LYS 4 HB3 LYS 4 1.636 19.030 -3.124
60 HG2 LYS 4 HG2 LYS 4 -0.673 18.471 -1.237
61 HG3 LYS 4 HG3 LYS 4 -0.145 20.077 -1.728
62 HD2 LYS 4 HD2 LYS 4 -0.967 19.859 -3.863
63 HD3 LYS 4 HD3 LYS 4 -0.704 18.117 -3.908
64 HE2 LYS 4 HE2 LYS 4 -2.704 17.646 -2.842
65 HE3 LYS 4 HE3 LYS 4 -2.723 19.182 -1.976
66 HZ1 LYS 4 HZ1 LYS 4 -2.847 19.453 -4.839
67 HZ2 LYS 4 HZ2 LYS 4 -3.793 20.190 -3.635
68 HZ3 LYS 4 HZ3 LYS 4 -4.174 18.627 -4.181
69 H LYS 5 H LYS 5 1.413 17.080 -0.062
70 HA LYS 5 HA LYS 5 4.056 16.070 0.229
71 HB2 LYS 5 HB2 LYS 5 1.733 16.035 2.161
72 HB3 LYS 5 HB3 LYS 5 3.402 15.697 2.601
73 HG2 LYS 5 HG2 LYS 5 4.041 17.954 1.738
74 HG3 LYS 5 HG3 LYS 5 2.332 18.288 1.452
75 HD2 LYS 5 HD2 LYS 5 1.887 17.860 3.874
76 HD3 LYS 5 HD3 LYS 5 3.623 17.673 4.126
77 HE2 LYS 5 HE2 LYS 5 2.392 20.155 2.906
78 HE3 LYS 5 HE3 LYS 5 2.714 19.988 4.632
79 HZ1 LYS 5 HZ1 LYS 5 5.034 19.199 3.442
80 HZ2 LYS 5 HZ2 LYS 5 4.745 20.712 4.159
81 HZ3 LYS 5 HZ3 LYS 5 4.532 20.507 2.486
82 H GLY 6 H GLY 6 0.913 14.453 0.175
83 HA2 GLY 6 HA2 GLY 6 1.759 11.875 1.008
84 HA3 GLY 6 HA3 GLY 6 0.377 12.181 -0.042
85 H ALA 7 H ALA 7 1.850 13.423 -2.178
86 HA ALA 7 HA ALA 7 2.600 11.108 -3.670
87 HB1 ALA 7 HB1 ALA 7 1.897 13.076 -4.863
88 HB2 ALA 7 HB2 ALA 7 3.589 12.803 -5.279
89 HB3 ALA 7 HB3 ALA 7 3.158 14.051 -4.110
90 H THR 8 H THR 8 4.551 13.559 -1.983
91 HA THR 8 HA THR 8 7.068 12.334 -2.741
92 HB THR 8 HB THR 8 8.065 13.923 -1.212
93 HG1 THR 8 HG1 THR 8 6.855 15.011 0.271
94 HG21 THR 8 HG21 THR 8 6.639 14.617 -3.396
95 HG22 THR 8 HG22 THR 8 7.526 15.788 -2.420
96 HG23 THR 8 HG23 THR 8 5.793 15.569 -2.176
97 H LEU 9 H LEU 9 4.827 12.008 -0.042
98 HA LEU 9 HA LEU 9 6.510 10.717 1.824
99 HB2 LEU 9 HB2 LEU 9 4.130 11.426 2.225
100 HB3 LEU 9 HB3 LEU 9 3.609 10.045 1.260
101 HG LEU 9 HG LEU 9 4.833 8.534 2.820
102 HD11 LEU 9 HD11 LEU 9 5.547 11.185 3.996
103 HD12 LEU 9 HD12 LEU 9 6.513 9.715 3.873
104 HD13 LEU 9 HD13 LEU 9 5.266 9.849 5.112
105 HD21 LEU 9 HD21 LEU 9 3.090 10.168 4.603
106 HD22 LEU 9 HD22 LEU 9 3.046 8.436 4.271
107 HD23 LEU 9 HD23 LEU 9 2.364 9.575 3.109
108 H PHE 10 H PHE 10 4.617 9.353 -0.856
109 HA PHE 10 HA PHE 10 5.371 6.622 -0.442
110 HB2 PHE 10 HB2 PHE 10 3.528 7.148 -1.926
111 HB3 PHE 10 HB3 PHE 10 4.573 8.136 -2.949
112 HD1 PHE 10 HD2 PHE 10 6.519 7.010 -4.155
113 HD2 PHE 10 HD1 PHE 10 3.340 4.803 -2.286
114 HE1 PHE 10 HE2 PHE 10 7.121 5.016 -5.489
115 HE2 PHE 10 HE1 PHE 10 3.940 2.806 -3.633
116 HZ PHE 10 HZ PHE 10 5.832 2.915 -5.241
117 H LYS 11 H LYS 11 6.754 9.204 -2.450
118 HA LYS 11 HA LYS 11 8.829 7.663 -3.606
119 HB2 LYS 11 HB2 LYS 11 8.723 10.624 -2.994
120 HB3 LYS 11 HB3 LYS 11 9.899 9.857 -4.057
121 HG2 LYS 11 HG2 LYS 11 8.007 8.994 -5.450
122 HG3 LYS 11 HG3 LYS 11 6.896 9.915 -4.436
123 HD2 LYS 11 HD2 LYS 11 8.156 11.994 -5.019
124 HD3 LYS 11 HD3 LYS 11 9.144 11.043 -6.129
125 HE2 LYS 11 HE2 LYS 11 7.572 11.436 -7.698
126 HE3 LYS 11 HE3 LYS 11 6.514 10.359 -6.786
127 HZ1 LYS 11 HZ1 LYS 11 6.754 13.135 -5.893
128 HZ2 LYS 11 HZ2 LYS 11 5.420 12.085 -5.825
129 HZ3 LYS 11 HZ3 LYS 11 5.844 12.832 -7.291
130 H THR 12 H THR 12 8.669 9.392 -0.530
131 HA THR 12 HA THR 12 11.517 8.826 -0.020
132 HB THR 12 HB THR 12 11.196 10.197 1.976
133 HG1 THR 12 HG1 THR 12 8.703 9.424 1.687
134 HG21 THR 12 HG21 THR 12 11.190 12.149 0.803
135 HG22 THR 12 HG22 THR 12 9.654 11.784 0.017
136 HG23 THR 12 HG23 THR 12 11.149 11.075 -0.595
137 H ARG 13 H ARG 13 8.843 6.928 0.238
138 HA ARG 13 HA ARG 13 10.040 5.525 2.580
139 HB2 ARG 13 HB2 ARG 13 7.113 6.220 2.262
140 HB3 ARG 13 HB3 ARG 13 7.735 5.079 3.456
141 HG2 ARG 13 HG2 ARG 13 9.236 6.897 4.323
142 HG3 ARG 13 HG3 ARG 13 8.430 8.020 3.227
143 HD2 ARG 13 HD2 ARG 13 6.249 7.430 4.303
144 HD3 ARG 13 HD3 ARG 13 7.134 6.439 5.463
145 HE ARG 13 HE ARG 13 6.899 9.312 5.553
146 HH11 ARG 13 HH21 ARG 13 9.022 6.644 6.066
147 HH12 ARG 13 HH22 ARG 13 9.969 7.457 7.267
148 HH21 ARG 13 HH11 ARG 13 8.124 10.389 7.118
149 HH22 ARG 13 HH12 ARG 13 9.461 9.576 7.863
150 H CYS 14 H CYS 14 7.186 5.031 0.444
151 HA CYS 14 HA CYS 14 7.568 2.186 0.409
152 HB2 CYS 14 HB2 CYS 14 6.179 3.536 -1.854
153 HB3 CYS 14 HB3 CYS 14 5.719 2.087 -0.969
154 H LEU 15 H LEU 15 8.827 4.749 -1.641
155 HA LEU 15 HA LEU 15 9.613 3.215 -3.879
156 HB2 LEU 15 HB2 LEU 15 9.791 5.673 -3.762
157 HB3 LEU 15 HB3 LEU 15 11.124 5.519 -2.620
158 HG LEU 15 HG LEU 15 12.365 4.187 -4.358
159 HD11 LEU 15 HD11 LEU 15 11.379 4.717 -6.750
160 HD12 LEU 15 HD12 LEU 15 9.853 4.824 -5.874
161 HD13 LEU 15 HD13 LEU 15 10.786 3.328 -5.840
162 HD21 LEU 15 HD21 LEU 15 13.020 6.125 -5.663
163 HD22 LEU 15 HD22 LEU 15 12.667 6.662 -4.020
164 HD23 LEU 15 HD23 LEU 15 11.492 6.931 -5.308
165 H GLN 16 H GLN 16 11.171 3.565 -0.721
166 HA GLN 16 HA GLN 16 13.671 2.406 -1.331
167 HB2 GLN 16 HB2 GLN 16 12.033 2.213 1.211
168 HB3 GLN 16 HB3 GLN 16 13.732 1.756 1.082
169 HG2 GLN 16 HG2 GLN 16 14.316 4.042 0.398
170 HG3 GLN 16 HG3 GLN 16 12.617 4.510 0.473
171 HE21 GLN 16 HE21 GLN 16 14.572 5.809 2.111
172 HE22 GLN 16 HE22 GLN 16 14.271 5.402 3.731
173 H CYS 17 H CYS 17 10.573 0.814 -0.594
174 HA CYS 17 HA CYS 17 11.905 -1.806 -1.142
175 HB2 CYS 17 HB2 CYS 17 9.361 -1.190 0.372
176 HB3 CYS 17 HB3 CYS 17 9.975 -2.810 0.066
177 H HIS 18 H HIS 18 8.966 0.065 -1.835
178 HA HIS 18 HA HIS 18 8.277 -1.877 -3.974
179 HB2 HIS 18 HB2 HIS 18 6.778 0.546 -2.946
180 HB3 HIS 18 HB3 HIS 18 6.180 -0.580 -4.162
181 HD1 HIS 18 HD1 HIS 18 6.024 -3.176 -3.289
182 HD2 HIS 18 HD2 HIS 18 6.206 -0.213 -0.367
183 HE1 HIS 18 HE1 HIS 18 5.134 -4.218 -1.152
184 H THR 19 H THR 19 7.837 -1.142 -6.122
185 HA THR 19 HA THR 19 9.190 1.425 -6.852
186 HB THR 19 HB THR 19 8.933 -0.925 -8.703
187 HG1 THR 19 HG1 THR 19 10.121 -1.448 -6.739
188 HG21 THR 19 HG21 THR 19 11.255 0.841 -8.879
189 HG22 THR 19 HG22 THR 19 9.724 1.700 -9.054
190 HG23 THR 19 HG23 THR 19 10.112 0.361 -10.134
191 H VAL 20 H VAL 20 8.007 2.762 -8.218
192 HA VAL 20 HA VAL 20 5.165 2.362 -8.371
193 HB VAL 20 HB VAL 20 6.858 4.244 -10.028
194 HG11 VAL 20 HG11 VAL 20 4.440 3.978 -10.632
195 HG12 VAL 20 HG12 VAL 20 4.851 5.605 -10.088
196 HG13 VAL 20 HG13 VAL 20 4.021 4.494 -8.998
197 HG21 VAL 20 HG21 VAL 20 5.719 4.607 -7.246
198 HG22 VAL 20 HG22 VAL 20 6.583 5.833 -8.174
199 HG23 VAL 20 HG23 VAL 20 7.425 4.378 -7.633
200 H GLU 21 H GLU 21 7.788 1.932 -10.738
201 HA GLU 21 HA GLU 21 6.242 1.520 -13.052
202 HB2 GLU 21 HB2 GLU 21 8.796 0.110 -12.220
203 HB3 GLU 21 HB3 GLU 21 8.135 0.120 -13.855
204 HG2 GLU 21 HG2 GLU 21 8.276 2.597 -13.880
205 HG3 GLU 21 HG3 GLU 21 8.996 2.556 -12.270
206 H LYS 22 H LYS 22 5.144 -0.243 -13.902
207 HA LYS 22 HA LYS 22 4.188 -2.229 -11.996
208 HB2 LYS 22 HB2 LYS 22 2.803 -1.248 -13.873
209 HB3 LYS 22 HB3 LYS 22 3.786 -2.184 -15.000
210 HG2 LYS 22 HG2 LYS 22 3.146 -4.262 -13.786
211 HG3 LYS 22 HG3 LYS 22 2.096 -3.301 -12.744
212 HD2 LYS 22 HD2 LYS 22 0.871 -2.520 -14.784
213 HD3 LYS 22 HD3 LYS 22 1.854 -3.621 -15.749
214 HE2 LYS 22 HE2 LYS 22 0.986 -5.313 -13.802
215 HE3 LYS 22 HE3 LYS 22 -0.389 -4.214 -13.912
216 HZ1 LYS 22 HZ1 LYS 22 -1.002 -5.257 -15.748
217 HZ2 LYS 22 HZ2 LYS 22 0.368 -6.260 -15.686
218 HZ3 LYS 22 HZ3 LYS 22 0.436 -4.775 -16.508
219 H GLY 23 H GLY 23 5.008 -4.264 -11.696
220 HA2 GLY 23 HA2 GLY 23 6.239 -6.231 -12.139
221 HA3 GLY 23 HA3 GLY 23 6.472 -5.659 -13.794
222 H GLY 24 H GLY 24 7.270 -3.589 -11.115
223 HA2 GLY 24 HA2 GLY 24 9.879 -3.013 -11.988
224 HA3 GLY 24 HA3 GLY 24 9.334 -2.801 -10.324
225 HA PRO 25 HA PRO 25 12.658 -6.206 -10.862
226 HB2 PRO 25 HB2 PRO 25 14.263 -5.014 -8.888
227 HB3 PRO 25 HB3 PRO 25 14.526 -4.932 -10.639
228 HG2 PRO 25 HG2 PRO 25 13.320 -2.941 -8.812
229 HG3 PRO 25 HG3 PRO 25 14.264 -2.699 -10.291
230 HD2 PRO 25 HD2 PRO 25 11.571 -2.348 -10.223
231 HD3 PRO 25 HD3 PRO 25 12.415 -2.935 -11.674
232 H HIS 26 H HIS 26 10.829 -4.745 -8.286
233 HA HIS 26 HA HIS 26 10.091 -5.610 -6.225
234 HB2 HIS 26 HB2 HIS 26 10.671 -8.250 -7.612
235 HB3 HIS 26 HB3 HIS 26 9.644 -8.030 -6.204
236 HD1 HIS 26 HD1 HIS 26 7.649 -6.094 -6.705
237 HD2 HIS 26 HD2 HIS 26 9.196 -8.254 -9.897
238 HE1 HIS 26 HE1 HIS 26 5.941 -5.924 -8.568
239 HE2 HIS 26 HE2 HIS 26 6.885 -7.211 -10.532
240 H LYS 27 H LYS 27 12.663 -4.752 -6.034
241 HA LYS 27 HA LYS 27 14.644 -6.671 -5.370
242 HB2 LYS 27 HB2 LYS 27 14.268 -3.870 -4.269
243 HB3 LYS 27 HB3 LYS 27 15.753 -4.814 -4.190
244 HG2 LYS 27 HG2 LYS 27 15.742 -4.937 -6.686
245 HG3 LYS 27 HG3 LYS 27 14.348 -3.858 -6.685
246 HD2 LYS 27 HD2 LYS 27 15.701 -2.172 -5.435
247 HD3 LYS 27 HD3 LYS 27 17.101 -3.234 -5.581
248 HE2 LYS 27 HE2 LYS 27 15.598 -2.534 -8.071
249 HE3 LYS 27 HE3 LYS 27 16.655 -1.313 -7.365
250 HZ1 LYS 27 HZ1 LYS 27 18.483 -2.849 -7.446
251 HZ2 LYS 27 HZ2 LYS 27 17.791 -2.731 -8.993
252 HZ3 LYS 27 HZ3 LYS 27 17.479 -4.089 -8.020
253 H VAL 28 H VAL 28 13.524 -4.532 -2.820
254 HA VAL 28 HA VAL 28 13.844 -6.551 -0.798
255 HB VAL 28 HB VAL 28 12.252 -3.994 -0.620
256 HG11 VAL 28 HG11 VAL 28 11.801 -5.163 1.345
257 HG12 VAL 28 HG12 VAL 28 13.235 -4.245 1.803
258 HG13 VAL 28 HG13 VAL 28 13.381 -5.945 1.359
259 HG21 VAL 28 HG21 VAL 28 15.208 -4.531 -0.246
260 HG22 VAL 28 HG22 VAL 28 14.405 -3.042 0.252
261 HG23 VAL 28 HG23 VAL 28 14.466 -3.483 -1.455
262 H GLY 29 H GLY 29 10.932 -5.095 -2.252
263 HA2 GLY 29 HA2 GLY 29 9.457 -7.583 -1.544
264 HA3 GLY 29 HA3 GLY 29 8.790 -6.033 -1.031
265 HA PRO 30 HA PRO 30 7.403 -7.243 -5.397
266 HB2 PRO 30 HB2 PRO 30 4.700 -7.153 -4.731
267 HB3 PRO 30 HB3 PRO 30 5.669 -8.630 -4.866
268 HG2 PRO 30 HG2 PRO 30 4.794 -7.150 -2.462
269 HG3 PRO 30 HG3 PRO 30 5.105 -8.878 -2.680
270 HD2 PRO 30 HD2 PRO 30 6.824 -7.179 -1.367
271 HD3 PRO 30 HD3 PRO 30 7.346 -8.669 -2.177
272 H ASN 31 H ASN 31 6.297 -5.723 -6.840
273 HA ASN 31 HA ASN 31 6.160 -2.995 -5.658
274 HB2 ASN 31 HB2 ASN 31 6.213 -3.681 -8.599
275 HB3 ASN 31 HB3 ASN 31 6.641 -2.159 -7.824
276 HD21 ASN 31 HD21 ASN 31 8.213 -3.292 -5.649
277 HD22 ASN 31 HD22 ASN 31 9.633 -3.921 -6.335
278 H LEU 32 H LEU 32 4.235 -1.964 -5.515
279 HA LEU 32 HA LEU 32 1.790 -3.337 -6.325
280 HB2 LEU 32 HB2 LEU 32 2.159 -0.559 -5.164
281 HB3 LEU 32 HB3 LEU 32 0.657 -1.442 -5.269
282 HG LEU 32 HG LEU 32 1.402 -1.727 -3.025
283 HD11 LEU 32 HD11 LEU 32 2.442 -4.233 -4.339
284 HD12 LEU 32 HD12 LEU 32 0.726 -3.827 -4.369
285 HD13 LEU 32 HD13 LEU 32 1.547 -4.070 -2.829
286 HD21 LEU 32 HD21 LEU 32 4.029 -2.921 -3.756
287 HD22 LEU 32 HD22 LEU 32 3.579 -1.953 -2.353
288 HD23 LEU 32 HD23 LEU 32 3.890 -1.168 -3.897
289 H HIS 33 H HIS 33 1.167 -0.133 -6.598
290 HA HIS 33 HA HIS 33 0.803 1.353 -8.362
291 HB2 HIS 33 HB2 HIS 33 3.193 0.578 -9.017
292 HB3 HIS 33 HB3 HIS 33 2.377 -0.439 -10.205
293 HD1 HIS 33 HD1 HIS 33 2.185 3.222 -9.110
294 HD2 HIS 33 HD2 HIS 33 1.972 0.901 -12.570
295 HE1 HIS 33 HE1 HIS 33 1.889 4.837 -11.041
296 HE2 HIS 33 HE2 HIS 33 1.759 3.435 -13.151
297 H GLY 34 H GLY 34 -1.425 0.764 -8.384
298 HA2 GLY 34 HA2 GLY 34 -3.212 0.372 -9.968
299 HA3 GLY 34 HA3 GLY 34 -2.174 -0.774 -10.810
300 H ILE 35 H ILE 35 -1.895 -1.411 -7.522
301 HA ILE 35 HA ILE 35 -3.540 -3.806 -7.840
302 HB ILE 35 HB ILE 35 -2.674 -4.527 -5.743
303 HG12 ILE 35 HG12 ILE 35 -1.144 -2.542 -4.635
304 HG13 ILE 35 HG13 ILE 35 -2.515 -1.619 -5.241
305 HG21 ILE 35 HG21 ILE 35 -0.394 -2.851 -6.731
306 HG22 ILE 35 HG22 ILE 35 -1.078 -4.091 -7.782
307 HG23 ILE 35 HG23 ILE 35 -0.397 -4.538 -6.218
308 HD11 ILE 35 HD11 ILE 35 -2.730 -4.091 -3.502
309 HD12 ILE 35 HD12 ILE 35 -4.058 -3.049 -4.011
310 HD13 ILE 35 HD13 ILE 35 -2.830 -2.436 -2.904
311 H PHE 36 H PHE 36 -4.138 -0.633 -6.807
312 HA PHE 36 HA PHE 36 -5.917 -0.924 -4.656
313 HB2 PHE 36 HB2 PHE 36 -5.778 0.989 -6.965
314 HB3 PHE 36 HB3 PHE 36 -7.175 1.041 -5.892
315 HD1 PHE 36 HD1 PHE 36 -3.428 0.738 -5.599
316 HD2 PHE 36 HD2 PHE 36 -7.046 2.499 -4.087
317 HE1 PHE 36 HE1 PHE 36 -2.114 2.031 -3.941
318 HE2 PHE 36 HE2 PHE 36 -5.731 3.799 -2.440
319 HZ PHE 36 HZ PHE 36 -3.266 3.557 -2.361
320 H GLY 37 H GLY 37 -6.358 -1.797 -8.024
321 HA2 GLY 37 HA2 GLY 37 -9.195 -2.543 -7.424
322 HA3 GLY 37 HA3 GLY 37 -8.578 -2.208 -9.042
323 H ARG 38 H ARG 38 -6.779 -4.148 -6.717
324 HA ARG 38 HA ARG 38 -7.508 -6.598 -8.263
325 HB2 ARG 38 HB2 ARG 38 -4.728 -5.696 -7.476
326 HB3 ARG 38 HB3 ARG 38 -5.104 -7.309 -8.070
327 HG2 ARG 38 HG2 ARG 38 -5.874 -4.848 -9.637
328 HG3 ARG 38 HG3 ARG 38 -4.273 -5.571 -9.792
329 HD2 ARG 38 HD2 ARG 38 -5.440 -7.780 -10.274
330 HD3 ARG 38 HD3 ARG 38 -6.945 -6.869 -10.395
331 HE ARG 38 HE ARG 38 -6.239 -6.135 -12.513
332 HH11 ARG 38 HH21 ARG 38 -3.589 -7.173 -10.567
333 HH12 ARG 38 HH22 ARG 38 -2.415 -6.978 -11.826
334 HH21 ARG 38 HH11 ARG 38 -4.721 -5.873 -14.168
335 HH22 ARG 38 HH12 ARG 38 -3.056 -6.241 -13.865
336 H HIS 39 H HIS 39 -6.685 -8.606 -7.076
337 HA HIS 39 HA HIS 39 -7.535 -8.383 -4.263
338 HB2 HIS 39 HB2 HIS 39 -7.081 -10.651 -6.175
339 HB3 HIS 39 HB3 HIS 39 -7.150 -10.958 -4.443
340 HD1 HIS 39 HD1 HIS 39 -9.211 -8.779 -6.796
341 HD2 HIS 39 HD2 HIS 39 -9.763 -11.607 -3.793
342 HE1 HIS 39 HE1 HIS 39 -11.709 -9.074 -6.554
343 HE2 HIS 39 HE2 HIS 39 -12.061 -10.787 -4.713
344 H SER 40 H SER 40 -6.242 -9.162 -2.521
345 HA SER 40 HA SER 40 -3.497 -8.423 -2.649
346 HB2 SER 40 HB2 SER 40 -5.262 -9.046 -0.630
347 HB3 SER 40 HB3 SER 40 -4.165 -10.421 -0.598
348 HG SER 40 HG SER 40 -2.548 -8.503 -0.842
349 H GLY 41 H GLY 41 -1.733 -9.541 -3.274
350 HA2 GLY 41 HA2 GLY 41 -0.442 -11.603 -3.355
351 HA3 GLY 41 HA3 GLY 41 -1.943 -12.500 -3.504
352 H GLN 42 H GLN 42 -2.299 -9.883 -5.504
353 HA GLN 42 HA GLN 42 -1.439 -11.540 -7.828
354 HB2 GLN 42 HB2 GLN 42 -3.330 -9.175 -7.678
355 HB3 GLN 42 HB3 GLN 42 -2.964 -10.100 -9.138
356 HG2 GLN 42 HG2 GLN 42 -3.734 -12.168 -7.972
357 HG3 GLN 42 HG3 GLN 42 -4.212 -11.174 -6.596
358 HE21 GLN 42 HE21 GLN 42 -4.747 -9.217 -9.210
359 HE22 GLN 42 HE22 GLN 42 -6.367 -9.604 -9.536
360 H ALA 43 H ALA 43 0.446 -11.014 -8.739
361 HA ALA 43 HA ALA 43 1.165 -8.152 -9.046
362 HB1 ALA 43 HB1 ALA 43 2.944 -8.264 -7.668
363 HB2 ALA 43 HB2 ALA 43 3.540 -9.698 -8.504
364 HB3 ALA 43 HB3 ALA 43 2.403 -9.866 -7.166
365 H GLU 44 H GLU 44 2.956 -7.917 -10.703
366 HA GLU 44 HA GLU 44 2.556 -9.960 -12.824
367 HB2 GLU 44 HB2 GLU 44 2.108 -7.568 -13.362
368 HB3 GLU 44 HB3 GLU 44 3.799 -7.202 -13.020
369 HG2 GLU 44 HG2 GLU 44 4.474 -8.841 -14.774
370 HG3 GLU 44 HG3 GLU 44 2.771 -9.090 -15.158
371 H GLY 45 H GLY 45 5.238 -8.066 -11.383
372 HA2 GLY 45 HA2 GLY 45 7.231 -9.779 -12.645
373 HA3 GLY 45 HA3 GLY 45 7.561 -8.506 -11.472
374 H TYR 46 H TYR 46 6.772 -9.080 -9.155
375 HA TYR 46 HA TYR 46 7.482 -11.933 -8.646
376 HB2 TYR 46 HB2 TYR 46 9.158 -10.588 -7.641
377 HB3 TYR 46 HB3 TYR 46 7.965 -9.441 -7.026
378 HD1 TYR 46 HD1 TYR 46 8.319 -13.183 -6.936
379 HD2 TYR 46 HD2 TYR 46 7.740 -9.553 -4.715
380 HE1 TYR 46 HE1 TYR 46 8.097 -14.496 -4.845
381 HE2 TYR 46 HE2 TYR 46 7.518 -10.869 -2.624
382 HH TYR 46 HH TYR 46 8.522 -13.484 -1.986
383 H SER 47 H SER 47 5.958 -13.199 -7.830
384 HA SER 47 HA SER 47 3.382 -12.110 -7.052
385 HB2 SER 47 HB2 SER 47 2.716 -14.375 -6.738
386 HB3 SER 47 HB3 SER 47 3.857 -14.432 -8.078
387 HG SER 47 HG SER 47 3.994 -15.644 -5.707
388 H TYR 48 H TYR 48 2.541 -12.108 -4.901
389 HA TYR 48 HA TYR 48 4.393 -11.307 -2.883
390 HB2 TYR 48 HB2 TYR 48 1.536 -12.254 -2.651
391 HB3 TYR 48 HB3 TYR 48 2.432 -11.460 -1.365
392 HD1 TYR 48 HD1 TYR 48 1.171 -11.014 -4.840
393 HD2 TYR 48 HD2 TYR 48 2.747 -9.102 -1.331
394 HE1 TYR 48 HE1 TYR 48 0.648 -8.795 -5.811
395 HE2 TYR 48 HE2 TYR 48 2.223 -6.884 -2.305
396 HH TYR 48 HH TYR 48 0.941 -5.854 -3.941
397 H THR 49 H THR 49 4.325 -12.445 -0.627
398 HA THR 49 HA THR 49 5.655 -14.952 -0.852
399 HB THR 49 HB THR 49 4.207 -13.866 1.582
400 HG1 THR 49 HG1 THR 49 5.786 -12.498 1.766
401 HG21 THR 49 HG21 THR 49 6.649 -15.645 1.386
402 HG22 THR 49 HG22 THR 49 5.013 -16.257 1.628
403 HG23 THR 49 HG23 THR 49 5.754 -15.216 2.844
404 H ASP 50 H ASP 50 4.918 -17.081 -0.455
405 HA ASP 50 HA ASP 50 2.434 -17.847 -1.461
406 HB2 ASP 50 HB2 ASP 50 4.178 -19.214 0.604
407 HB3 ASP 50 HB3 ASP 50 2.800 -19.984 -0.176
408 H ALA 51 H ALA 51 3.266 -17.019 1.901
409 HA ALA 51 HA ALA 51 0.780 -17.827 3.059
410 HB1 ALA 51 HB1 ALA 51 1.582 -16.877 4.981
411 HB2 ALA 51 HB2 ALA 51 2.075 -15.396 4.161
412 HB3 ALA 51 HB3 ALA 51 3.093 -16.833 4.073
413 H ASN 52 H ASN 52 1.853 -14.612 1.932
414 HA ASN 52 HA ASN 52 -0.655 -13.302 2.312
415 HB2 ASN 52 HB2 ASN 52 1.410 -12.046 1.910
416 HB3 ASN 52 HB3 ASN 52 1.540 -12.743 0.295
417 HD21 ASN 52 HD21 ASN 52 1.460 -10.215 -0.149
418 HD22 ASN 52 HD22 ASN 52 -0.087 -9.581 -0.438
419 H ILE 53 H ILE 53 0.711 -15.005 -0.491
420 HA ILE 53 HA ILE 53 -1.415 -14.456 -2.300
421 HB ILE 53 HB ILE 53 0.418 -16.853 -2.152
422 HG12 ILE 53 HG12 ILE 53 0.573 -14.356 -3.864
423 HG13 ILE 53 HG13 ILE 53 1.481 -14.573 -2.368
424 HG21 ILE 53 HG21 ILE 53 -1.518 -17.370 -3.529
425 HG22 ILE 53 HG22 ILE 53 -0.143 -17.057 -4.588
426 HG23 ILE 53 HG23 ILE 53 -1.381 -15.822 -4.362
427 HD11 ILE 53 HD11 ILE 53 2.774 -16.329 -3.263
428 HD12 ILE 53 HD12 ILE 53 2.650 -15.192 -4.605
429 HD13 ILE 53 HD13 ILE 53 1.627 -16.627 -4.570
430 H LYS 54 H LYS 54 -1.033 -16.980 0.163
431 HA LYS 54 HA LYS 54 -3.224 -18.618 -0.573
432 HB2 LYS 54 HB2 LYS 54 -1.620 -19.182 1.239
433 HB3 LYS 54 HB3 LYS 54 -2.325 -17.905 2.228
434 HG2 LYS 54 HG2 LYS 54 -4.528 -19.026 2.090
435 HG3 LYS 54 HG3 LYS 54 -3.792 -20.326 1.150
436 HD2 LYS 54 HD2 LYS 54 -2.225 -20.749 3.058
437 HD3 LYS 54 HD3 LYS 54 -3.105 -19.543 3.998
438 HE2 LYS 54 HE2 LYS 54 -4.868 -21.532 2.759
439 HE3 LYS 54 HE3 LYS 54 -3.716 -22.241 3.890
440 HZ1 LYS 54 HZ1 LYS 54 -6.008 -20.653 4.425
441 HZ2 LYS 54 HZ2 LYS 54 -4.620 -19.944 5.101
442 HZ3 LYS 54 HZ3 LYS 54 -5.044 -21.540 5.501
443 H LYS 55 H LYS 55 -3.099 -15.668 1.386
444 HA LYS 55 HA LYS 55 -6.061 -15.604 1.502
445 HB2 LYS 55 HB2 LYS 55 -3.916 -13.915 2.822
446 HB3 LYS 55 HB3 LYS 55 -5.643 -13.652 3.026
447 HG2 LYS 55 HG2 LYS 55 -5.862 -15.991 3.873
448 HG3 LYS 55 HG3 LYS 55 -4.109 -16.156 3.768
449 HD2 LYS 55 HD2 LYS 55 -3.874 -14.204 5.309
450 HD3 LYS 55 HD3 LYS 55 -5.629 -14.170 5.481
451 HE2 LYS 55 HE2 LYS 55 -4.535 -16.844 5.909
452 HE3 LYS 55 HE3 LYS 55 -3.869 -15.664 7.037
453 HZ1 LYS 55 HZ1 LYS 55 -6.486 -16.778 6.933
454 HZ2 LYS 55 HZ2 LYS 55 -6.544 -15.081 6.889
455 HZ3 LYS 55 HZ3 LYS 55 -5.751 -15.874 8.165
456 H ASN 56 H ASN 56 -7.174 -14.303 0.090
457 HA ASN 56 HA ASN 56 -5.688 -12.071 -1.222
458 HB2 ASN 56 HB2 ASN 56 -7.313 -12.846 -3.233
459 HB3 ASN 56 HB3 ASN 56 -5.661 -13.431 -3.058
460 HD21 ASN 56 HD21 ASN 56 -6.412 -15.456 -4.168
461 HD22 ASN 56 HD22 ASN 56 -7.256 -16.630 -3.278
462 H VAL 57 H VAL 57 -6.799 -10.195 -1.108
463 HA VAL 57 HA VAL 57 -9.760 -10.306 -0.851
464 HB VAL 57 HB VAL 57 -7.899 -8.566 0.780
465 HG11 VAL 57 HG11 VAL 57 -10.017 -7.943 1.965
466 HG12 VAL 57 HG12 VAL 57 -10.919 -8.829 0.734
467 HG13 VAL 57 HG13 VAL 57 -9.979 -7.405 0.286
468 HG21 VAL 57 HG21 VAL 57 -8.932 -9.902 2.685
469 HG22 VAL 57 HG22 VAL 57 -7.825 -10.802 1.649
470 HG23 VAL 57 HG23 VAL 57 -9.567 -11.000 1.459
471 H LEU 58 H LEU 58 -10.835 -8.753 -2.042
472 HA LEU 58 HA LEU 58 -9.516 -7.384 -4.139
473 HB2 LEU 58 HB2 LEU 58 -11.936 -7.758 -4.160
474 HB3 LEU 58 HB3 LEU 58 -12.127 -6.680 -2.778
475 HG LEU 58 HG LEU 58 -11.171 -4.814 -4.131
476 HD11 LEU 58 HD11 LEU 58 -9.869 -5.555 -5.852
477 HD12 LEU 58 HD12 LEU 58 -11.393 -5.574 -6.740
478 HD13 LEU 58 HD13 LEU 58 -10.773 -7.058 -6.020
479 HD21 LEU 58 HD21 LEU 58 -13.131 -4.752 -5.809
480 HD22 LEU 58 HD22 LEU 58 -13.544 -4.892 -4.100
481 HD23 LEU 58 HD23 LEU 58 -13.592 -6.317 -5.138
482 H TRP 59 H TRP 59 -8.712 -5.282 -4.308
483 HA TRP 59 HA TRP 59 -8.188 -3.976 -1.706
484 HB2 TRP 59 HB2 TRP 59 -6.854 -3.927 -4.389
485 HB3 TRP 59 HB3 TRP 59 -6.581 -2.608 -3.255
486 HD1 TRP 59 HD1 TRP 59 -5.076 -5.723 -4.194
487 HE1 TRP 59 HE1 TRP 59 -3.657 -6.718 -2.290
488 HE3 TRP 59 HE3 TRP 59 -6.831 -2.989 -0.249
489 HZ2 TRP 59 HZ2 TRP 59 -3.328 -6.418 0.525
490 HZ3 TRP 59 HZ3 TRP 59 -5.954 -3.377 2.032
491 HH2 TRP 59 HH2 TRP 59 -4.203 -5.093 2.422
492 H ASP 60 H ASP 60 -8.728 -1.835 -1.325
493 HA ASP 60 HA ASP 60 -10.042 -0.243 -3.424
494 HB2 ASP 60 HB2 ASP 60 -11.823 -1.722 -2.338
495 HB3 ASP 60 HB3 ASP 60 -11.516 -0.837 -0.844
496 H GLU 61 H GLU 61 -10.371 2.029 -2.611
497 HA GLU 61 HA GLU 61 -8.114 2.968 -1.178
498 HB2 GLU 61 HB2 GLU 61 -10.835 4.267 -1.522
499 HB3 GLU 61 HB3 GLU 61 -9.388 5.099 -0.952
500 HG2 GLU 61 HG2 GLU 61 -9.379 5.573 -3.250
501 HG3 GLU 61 HG3 GLU 61 -8.287 4.195 -3.130
502 H ASN 62 H ASN 62 -11.376 2.144 -0.063
503 HA ASN 62 HA ASN 62 -10.901 2.975 2.672
504 HB2 ASN 62 HB2 ASN 62 -13.174 2.645 1.550
505 HB3 ASN 62 HB3 ASN 62 -12.913 0.912 1.750
506 HD21 ASN 62 HD21 ASN 62 -13.755 0.093 3.664
507 HD22 ASN 62 HD22 ASN 62 -13.976 0.984 5.098
508 H ASN 63 H ASN 63 -10.826 -0.172 0.984
509 HA ASN 63 HA ASN 63 -10.153 -1.726 3.290
510 HB2 ASN 63 HB2 ASN 63 -10.964 -2.587 1.035
511 HB3 ASN 63 HB3 ASN 63 -9.318 -2.342 0.449
512 HD21 ASN 63 HD21 ASN 63 -9.424 -4.815 0.181
513 HD22 ASN 63 HD22 ASN 63 -9.034 -5.770 1.536
514 H MET 64 H MET 64 -8.119 -0.156 0.827
515 HA MET 64 HA MET 64 -5.630 -1.129 1.815
516 HB2 MET 64 HB2 MET 64 -6.357 1.351 0.253
517 HB3 MET 64 HB3 MET 64 -4.695 0.926 0.631
518 HG2 MET 64 HG2 MET 64 -5.243 -1.372 -0.404
519 HG3 MET 64 HG3 MET 64 -6.669 -0.584 -1.074
520 HE1 MET 64 HE1 MET 64 -3.058 -1.197 -0.989
521 HE2 MET 64 HE2 MET 64 -2.801 0.484 -0.524
522 HE3 MET 64 HE3 MET 64 -2.274 -0.074 -2.109
523 H SER 65 H SER 65 -7.613 1.639 2.776
524 HA SER 65 HA SER 65 -5.691 2.997 4.355
525 HB2 SER 65 HB2 SER 65 -8.640 2.673 4.979
526 HB3 SER 65 HB3 SER 65 -7.582 3.955 5.561
527 HG SER 65 HG SER 65 -7.623 3.577 2.823
528 H GLU 66 H GLU 66 -7.837 0.274 5.194
529 HA GLU 66 HA GLU 66 -7.012 0.115 7.942
530 HB2 GLU 66 HB2 GLU 66 -8.107 -2.017 6.081
531 HB3 GLU 66 HB3 GLU 66 -7.962 -2.186 7.831
532 HG2 GLU 66 HG2 GLU 66 -9.562 -0.023 6.434
533 HG3 GLU 66 HG3 GLU 66 -10.249 -1.487 7.134
534 H TYR 67 H TYR 67 -5.809 -1.390 4.958
535 HA TYR 67 HA TYR 67 -3.930 -3.151 6.200
536 HB2 TYR 67 HB2 TYR 67 -4.554 -3.373 3.840
537 HB3 TYR 67 HB3 TYR 67 -3.811 -1.815 3.482
538 HD1 TYR 67 HD1 TYR 67 -3.154 -5.334 4.434
539 HD2 TYR 67 HD2 TYR 67 -1.408 -1.536 3.432
540 HE1 TYR 67 HE1 TYR 67 -0.940 -6.417 4.172
541 HE2 TYR 67 HE2 TYR 67 0.805 -2.622 3.171
542 HH TYR 67 HH TYR 67 1.223 -6.109 3.781
543 H LEU 68 H LEU 68 -3.584 0.194 5.005
544 HA LEU 68 HA LEU 68 -0.827 0.498 5.415
545 HB2 LEU 68 HB2 LEU 68 -3.159 2.303 5.328
546 HB3 LEU 68 HB3 LEU 68 -1.764 2.942 6.198
547 HG LEU 68 HG LEU 68 -1.730 3.484 3.761
548 HD11 LEU 68 HD11 LEU 68 0.339 2.638 5.387
549 HD12 LEU 68 HD12 LEU 68 0.537 3.399 3.812
550 HD13 LEU 68 HD13 LEU 68 0.551 1.643 3.949
551 HD21 LEU 68 HD21 LEU 68 -2.619 0.896 3.447
552 HD22 LEU 68 HD22 LEU 68 -0.917 0.758 3.008
553 HD23 LEU 68 HD23 LEU 68 -1.959 1.896 2.153
554 H THR 69 H THR 69 -3.458 0.818 7.779
555 HA THR 69 HA THR 69 -1.986 1.720 9.986
556 HB THR 69 HB THR 69 -4.122 -0.432 10.071
557 HG1 THR 69 HG1 THR 69 -5.408 1.047 9.366
558 HG21 THR 69 HG21 THR 69 -3.039 1.589 12.025
559 HG22 THR 69 HG22 THR 69 -3.178 -0.158 12.223
560 HG23 THR 69 HG23 THR 69 -4.625 0.849 12.238
561 H ASN 70 H ASN 70 -2.284 -1.540 8.648
562 HA ASN 70 HA ASN 70 0.173 -2.304 10.140
563 HB2 ASN 70 HB2 ASN 70 -1.979 -3.128 11.284
564 HB3 ASN 70 HB3 ASN 70 -2.166 -4.196 9.898
565 HD21 ASN 70 HD21 ASN 70 -1.853 -5.922 11.684
566 HD22 ASN 70 HD22 ASN 70 -0.253 -6.363 12.064
567 H HIS 71 H HIS 71 1.606 -3.002 8.620
568 HA HIS 71 HA HIS 71 1.031 -3.379 5.910
569 HB2 HIS 71 HB2 HIS 71 3.289 -3.857 7.643
570 HB3 HIS 71 HB3 HIS 71 3.124 -5.187 6.498
571 HD1 HIS 71 HD1 HIS 71 3.712 -1.467 6.658
572 HD2 HIS 71 HD2 HIS 71 3.610 -4.491 3.779
573 HE1 HIS 71 HE1 HIS 71 4.659 -0.466 4.528
574 H ALA 72 H ALA 72 -0.111 -5.282 8.414
575 HA ALA 72 HA ALA 72 -1.060 -7.297 6.520
576 HB1 ALA 72 HB1 ALA 72 -0.091 -9.217 7.685
577 HB2 ALA 72 HB2 ALA 72 0.743 -8.139 8.803
578 HB3 ALA 72 HB3 ALA 72 1.189 -8.158 7.096
579 H LYS 73 H LYS 73 -3.045 -6.281 7.353
580 HA LYS 73 HA LYS 73 -3.723 -6.932 10.171
581 HB2 LYS 73 HB2 LYS 73 -4.287 -4.673 9.213
582 HB3 LYS 73 HB3 LYS 73 -5.397 -5.475 8.102
583 HG2 LYS 73 HG2 LYS 73 -6.619 -6.431 10.040
584 HG3 LYS 73 HG3 LYS 73 -5.538 -5.562 11.129
585 HD2 LYS 73 HD2 LYS 73 -6.253 -3.419 10.052
586 HD3 LYS 73 HD3 LYS 73 -7.424 -4.333 9.099
587 HE2 LYS 73 HE2 LYS 73 -8.745 -4.833 10.950
588 HE3 LYS 73 HE3 LYS 73 -7.406 -4.652 12.083
589 HZ1 LYS 73 HZ1 LYS 73 -8.940 -2.530 10.709
590 HZ2 LYS 73 HZ2 LYS 73 -7.429 -2.227 11.424
591 HZ3 LYS 73 HZ3 LYS 73 -8.730 -2.764 12.375
592 H TYR 74 H TYR 74 -5.818 -7.025 7.293
593 HA TYR 74 HA TYR 74 -7.128 -9.446 8.215
594 HB2 TYR 74 HB2 TYR 74 -7.191 -8.118 5.484
595 HB3 TYR 74 HB3 TYR 74 -8.304 -9.366 6.045
596 HD1 TYR 74 HD1 TYR 74 -9.653 -8.872 8.199
597 HD2 TYR 74 HD2 TYR 74 -7.642 -5.853 5.899
598 HE1 TYR 74 HE1 TYR 74 -11.088 -7.132 9.229
599 HE2 TYR 74 HE2 TYR 74 -9.076 -4.113 6.928
600 HH TYR 74 HH TYR 74 -11.511 -4.151 8.027
601 H ILE 75 H ILE 75 -4.262 -8.776 6.521
602 HA ILE 75 HA ILE 75 -4.132 -11.578 5.476
603 HB ILE 75 HB ILE 75 -2.424 -9.290 4.518
604 HG12 ILE 75 HG12 ILE 75 -5.236 -10.035 3.674
605 HG13 ILE 75 HG13 ILE 75 -4.653 -8.457 4.207
606 HG21 ILE 75 HG21 ILE 75 -2.002 -11.774 3.982
607 HG22 ILE 75 HG22 ILE 75 -2.078 -10.657 2.619
608 HG23 ILE 75 HG23 ILE 75 -3.463 -11.680 2.998
609 HD11 ILE 75 HD11 ILE 75 -3.082 -8.498 2.202
610 HD12 ILE 75 HD12 ILE 75 -4.796 -8.339 1.820
611 HD13 ILE 75 HD13 ILE 75 -3.991 -9.897 1.629
612 HA PRO 76 HA PRO 76 -1.019 -10.861 8.976
613 HB2 PRO 76 HB2 PRO 76 -1.400 -13.469 9.944
614 HB3 PRO 76 HB3 PRO 76 -2.100 -11.992 10.627
615 HG2 PRO 76 HG2 PRO 76 -3.329 -14.034 8.887
616 HG3 PRO 76 HG3 PRO 76 -4.068 -12.993 10.112
617 HD2 PRO 76 HD2 PRO 76 -4.368 -12.575 7.435
618 HD3 PRO 76 HD3 PRO 76 -4.411 -11.257 8.625
619 H GLY 77 H GLY 77 -1.588 -13.518 6.720
620 HA2 GLY 77 HA2 GLY 77 0.923 -14.826 6.927
621 HA3 GLY 77 HA3 GLY 77 -0.049 -14.766 5.452
622 H THR 78 H THR 78 0.002 -11.764 5.594
623 HA THR 78 HA THR 78 2.291 -11.349 3.900
624 HB THR 78 HB THR 78 0.479 -9.344 5.270
625 HG1 THR 78 HG1 THR 78 -0.304 -9.327 2.984
626 HG21 THR 78 HG21 THR 78 2.891 -9.002 3.767
627 HG22 THR 78 HG22 THR 78 1.822 -7.760 4.417
628 HG23 THR 78 HG23 THR 78 1.540 -8.408 2.802
629 H LYS 79 H LYS 79 4.255 -10.360 4.365
630 HA LYS 79 HA LYS 79 5.173 -10.519 7.125
631 HB2 LYS 79 HB2 LYS 79 6.602 -9.287 4.759
632 HB3 LYS 79 HB3 LYS 79 7.329 -9.929 6.228
633 HG2 LYS 79 HG2 LYS 79 6.508 -12.186 5.643
634 HG3 LYS 79 HG3 LYS 79 5.810 -11.540 4.157
635 HD2 LYS 79 HD2 LYS 79 8.157 -10.694 3.592
636 HD3 LYS 79 HD3 LYS 79 8.732 -11.712 4.912
637 HE2 LYS 79 HE2 LYS 79 7.001 -13.349 3.422
638 HE3 LYS 79 HE3 LYS 79 7.958 -12.475 2.224
639 HZ1 LYS 79 HZ1 LYS 79 9.955 -13.223 3.212
640 HZ2 LYS 79 HZ2 LYS 79 8.961 -14.592 3.059
641 HZ3 LYS 79 HZ3 LYS 79 9.151 -13.841 4.571
642 H MET 80 H MET 80 6.284 -8.621 8.165
643 HA MET 80 HA MET 80 5.029 -6.015 7.408
644 HB2 MET 80 HB2 MET 80 5.373 -7.152 10.200
645 HB3 MET 80 HB3 MET 80 4.831 -5.512 9.842
646 HG2 MET 80 HG2 MET 80 2.936 -6.487 8.520
647 HG3 MET 80 HG3 MET 80 3.439 -8.089 9.061
648 HE1 MET 80 HE1 MET 80 3.977 -8.637 11.325
649 HE2 MET 80 HE2 MET 80 2.996 -8.220 12.728
650 HE3 MET 80 HE3 MET 80 4.377 -7.215 12.298
651 H ALA 81 H ALA 81 6.334 -4.131 8.013
652 HA ALA 81 HA ALA 81 8.869 -4.326 9.301
653 HB1 ALA 81 HB1 ALA 81 10.249 -5.110 7.714
654 HB2 ALA 81 HB2 ALA 81 9.727 -3.840 6.608
655 HB3 ALA 81 HB3 ALA 81 8.859 -5.374 6.661
656 H PHE 82 H PHE 82 6.474 -2.500 8.733
657 HA PHE 82 HA PHE 82 7.953 -0.115 7.725
658 HB2 PHE 82 HB2 PHE 82 5.703 -0.607 6.729
659 HB3 PHE 82 HB3 PHE 82 4.989 -0.365 8.326
660 HD1 PHE 82 HD2 PHE 82 6.922 1.276 5.610
661 HD2 PHE 82 HD1 PHE 82 4.694 1.812 9.235
662 HE1 PHE 82 HE2 PHE 82 6.953 3.731 5.263
663 HE2 PHE 82 HE1 PHE 82 4.742 4.266 8.905
664 HZ PHE 82 HZ PHE 82 5.863 5.228 6.912
665 H GLY 83 H GLY 83 8.215 1.723 9.045
666 HA2 GLY 83 HA2 GLY 83 8.629 1.358 11.797
667 HA3 GLY 83 HA3 GLY 83 8.388 2.935 11.050
668 H GLY 84 H GLY 84 5.763 2.902 10.266
669 HA2 GLY 84 HA2 GLY 84 3.721 1.801 11.669
670 HA3 GLY 84 HA3 GLY 84 4.387 2.901 12.873
671 H LEU 85 H LEU 85 2.854 2.750 9.688
672 HA LEU 85 HA LEU 85 2.603 5.656 9.465
673 HB2 LEU 85 HB2 LEU 85 2.598 3.748 7.594
674 HB3 LEU 85 HB3 LEU 85 0.863 3.785 7.908
675 HG LEU 85 HG LEU 85 0.927 6.278 7.578
676 HD11 LEU 85 HD11 LEU 85 2.948 7.263 7.586
677 HD12 LEU 85 HD12 LEU 85 3.255 6.513 6.020
678 HD13 LEU 85 HD13 LEU 85 3.753 5.701 7.499
679 HD21 LEU 85 HD21 LEU 85 1.249 6.127 5.083
680 HD22 LEU 85 HD22 LEU 85 0.183 4.887 5.744
681 HD23 LEU 85 HD23 LEU 85 1.848 4.484 5.320
682 H LYS 86 H LYS 86 1.491 4.186 11.850
683 HA LYS 86 HA LYS 86 -1.309 3.993 11.812
684 HB2 LYS 86 HB2 LYS 86 0.511 4.960 14.035
685 HB3 LYS 86 HB3 LYS 86 -1.174 4.495 14.251
686 HG2 LYS 86 HG2 LYS 86 -0.632 2.239 13.329
687 HG3 LYS 86 HG3 LYS 86 1.066 2.713 13.258
688 HD2 LYS 86 HD2 LYS 86 0.995 3.169 15.715
689 HD3 LYS 86 HD3 LYS 86 -0.656 2.550 15.748
690 HE2 LYS 86 HE2 LYS 86 1.005 0.814 16.393
691 HE3 LYS 86 HE3 LYS 86 0.112 0.372 14.938
692 HZ1 LYS 86 HZ1 LYS 86 2.428 1.898 14.311
693 HZ2 LYS 86 HZ2 LYS 86 1.971 0.358 13.757
694 HZ3 LYS 86 HZ3 LYS 86 2.839 0.519 15.209
695 H LYS 87 H LYS 87 0.736 6.858 11.913
696 HA LYS 87 HA LYS 87 -1.224 8.742 12.761
697 HB2 LYS 87 HB2 LYS 87 1.102 9.087 10.844
698 HB3 LYS 87 HB3 LYS 87 0.174 10.417 11.538
699 HG2 LYS 87 HG2 LYS 87 0.774 9.589 13.818
700 HG3 LYS 87 HG3 LYS 87 1.796 8.363 13.068
701 HD2 LYS 87 HD2 LYS 87 3.082 10.177 11.938
702 HD3 LYS 87 HD3 LYS 87 2.109 11.367 12.804
703 HE2 LYS 87 HE2 LYS 87 3.343 11.123 14.673
704 HE3 LYS 87 HE3 LYS 87 3.168 9.369 14.625
705 HZ1 LYS 87 HZ1 LYS 87 5.044 10.823 12.857
706 HZ2 LYS 87 HZ2 LYS 87 5.007 9.161 13.209
707 HZ3 LYS 87 HZ3 LYS 87 5.496 10.274 14.396
708 H GLU 88 H GLU 88 -3.108 9.254 11.793
709 HA GLU 88 HA GLU 88 -3.871 8.261 9.223
710 HB2 GLU 88 HB2 GLU 88 -5.062 10.461 10.917
711 HB3 GLU 88 HB3 GLU 88 -5.838 9.779 9.490
712 HG2 GLU 88 HG2 GLU 88 -5.015 8.195 11.942
713 HG3 GLU 88 HG3 GLU 88 -6.659 8.727 11.589
714 H LYS 89 H LYS 89 -2.426 11.301 10.248
715 HA LYS 89 HA LYS 89 -2.994 12.876 7.978
716 HB2 LYS 89 HB2 LYS 89 -0.513 12.820 9.716
717 HB3 LYS 89 HB3 LYS 89 -0.902 14.100 8.571
718 HG2 LYS 89 HG2 LYS 89 -3.054 14.479 9.779
719 HG3 LYS 89 HG3 LYS 89 -2.557 13.278 10.972
720 HD2 LYS 89 HD2 LYS 89 -0.514 14.644 11.431
721 HD3 LYS 89 HD3 LYS 89 -1.133 15.877 10.331
722 HE2 LYS 89 HE2 LYS 89 -2.304 16.744 12.046
723 HE3 LYS 89 HE3 LYS 89 -3.259 15.263 12.087
724 HZ1 LYS 89 HZ1 LYS 89 -0.620 15.276 13.365
725 HZ2 LYS 89 HZ2 LYS 89 -2.011 14.387 13.766
726 HZ3 LYS 89 HZ3 LYS 89 -1.909 16.035 14.164
727 H ASP 90 H ASP 90 -0.239 10.658 8.519
728 HA ASP 90 HA ASP 90 0.894 11.119 5.904
729 HB2 ASP 90 HB2 ASP 90 1.221 8.799 7.833
730 HB3 ASP 90 HB3 ASP 90 2.208 9.063 6.397
731 H ARG 91 H ARG 91 -1.066 8.467 7.267
732 HA ARG 91 HA ARG 91 -1.290 6.933 4.895
733 HB2 ARG 91 HB2 ARG 91 -1.970 6.158 7.161
734 HB3 ARG 91 HB3 ARG 91 -3.358 7.243 7.088
735 HG2 ARG 91 HG2 ARG 91 -4.180 6.073 5.082
736 HG3 ARG 91 HG3 ARG 91 -2.789 4.990 5.140
737 HD2 ARG 91 HD2 ARG 91 -4.618 3.833 6.193
738 HD3 ARG 91 HD3 ARG 91 -3.521 4.338 7.478
739 HE ARG 91 HE ARG 91 -5.306 6.428 7.344
740 HH11 ARG 91 HH21 ARG 91 -5.549 2.997 7.556
741 HH12 ARG 91 HH22 ARG 91 -7.053 3.021 8.414
742 HH21 ARG 91 HH11 ARG 91 -7.270 6.481 8.465
743 HH22 ARG 91 HH12 ARG 91 -8.026 4.994 8.930
744 H ASN 92 H ASN 92 -3.287 9.638 6.059
745 HA ASN 92 HA ASN 92 -5.308 9.441 4.061
746 HB2 ASN 92 HB2 ASN 92 -4.267 11.852 5.569
747 HB3 ASN 92 HB3 ASN 92 -5.742 11.836 4.607
748 HD21 ASN 92 HD21 ASN 92 -6.061 12.404 7.293
749 HD22 ASN 92 HD22 ASN 92 -6.745 11.080 8.105
750 H ASP 93 H ASP 93 -2.477 11.630 4.158
751 HA ASP 93 HA ASP 93 -2.875 12.631 1.504
752 HB2 ASP 93 HB2 ASP 93 -0.357 12.454 3.186
753 HB3 ASP 93 HB3 ASP 93 -0.494 13.378 1.690
754 H LEU 94 H LEU 94 -1.002 9.922 2.776
755 HA LEU 94 HA LEU 94 0.478 9.181 0.518
756 HB2 LEU 94 HB2 LEU 94 0.716 8.053 2.663
757 HB3 LEU 94 HB3 LEU 94 -0.925 7.428 2.551
758 HG LEU 94 HG LEU 94 -0.306 6.131 0.548
759 HD11 LEU 94 HD11 LEU 94 2.376 6.033 0.361
760 HD12 LEU 94 HD12 LEU 94 2.196 7.710 0.877
761 HD13 LEU 94 HD13 LEU 94 1.403 7.150 -0.596
762 HD21 LEU 94 HD21 LEU 94 0.254 5.532 3.115
763 HD22 LEU 94 HD22 LEU 94 1.880 5.448 2.439
764 HD23 LEU 94 HD23 LEU 94 0.597 4.430 1.781
765 H ILE 95 H ILE 95 -2.639 7.730 1.424
766 HA ILE 95 HA ILE 95 -3.049 6.464 -1.077
767 HB ILE 95 HB ILE 95 -5.044 7.318 1.029
768 HG12 ILE 95 HG12 ILE 95 -3.663 4.665 0.498
769 HG13 ILE 95 HG13 ILE 95 -3.192 5.802 1.759
770 HG21 ILE 95 HG21 ILE 95 -5.280 5.930 -1.562
771 HG22 ILE 95 HG22 ILE 95 -6.510 6.764 -0.615
772 HG23 ILE 95 HG23 ILE 95 -6.059 5.108 -0.213
773 HD11 ILE 95 HD11 ILE 95 -5.797 5.615 2.362
774 HD12 ILE 95 HD12 ILE 95 -4.606 4.485 3.006
775 HD13 ILE 95 HD13 ILE 95 -5.587 4.032 1.612
776 H THR 96 H THR 96 -3.798 9.724 0.013
777 HA THR 96 HA THR 96 -5.704 10.469 -1.909
778 HB THR 96 HB THR 96 -3.372 12.173 -0.986
779 HG1 THR 96 HG1 THR 96 -5.373 12.731 0.483
780 HG21 THR 96 HG21 THR 96 -6.202 12.954 -1.688
781 HG22 THR 96 HG22 THR 96 -4.879 12.987 -2.851
782 HG23 THR 96 HG23 THR 96 -4.825 14.023 -1.426
783 H TYR 97 H TYR 97 -2.171 10.247 -2.177
784 HA TYR 97 HA TYR 97 -2.123 11.188 -4.924
785 HB2 TYR 97 HB2 TYR 97 -0.144 11.462 -3.549
786 HB3 TYR 97 HB3 TYR 97 -0.069 9.727 -3.245
787 HD1 TYR 97 HD2 TYR 97 0.060 12.267 -5.988
788 HD2 TYR 97 HD1 TYR 97 1.056 8.293 -4.715
789 HE1 TYR 97 HE2 TYR 97 1.396 11.939 -8.054
790 HE2 TYR 97 HE1 TYR 97 2.385 7.958 -6.775
791 HH TYR 97 HH TYR 97 2.844 8.800 -8.824
792 H LEU 98 H LEU 98 -1.881 7.988 -3.372
793 HA LEU 98 HA LEU 98 -1.572 6.470 -5.761
794 HB2 LEU 98 HB2 LEU 98 -2.997 5.665 -3.208
795 HB3 LEU 98 HB3 LEU 98 -2.361 4.565 -4.431
796 HG LEU 98 HG LEU 98 -0.674 6.548 -2.876
797 HD11 LEU 98 HD11 LEU 98 -1.569 4.766 -1.414
798 HD12 LEU 98 HD12 LEU 98 0.162 4.558 -1.672
799 HD13 LEU 98 HD13 LEU 98 -0.987 3.546 -2.546
800 HD21 LEU 98 HD21 LEU 98 0.487 6.109 -4.852
801 HD22 LEU 98 HD22 LEU 98 -0.149 4.471 -4.982
802 HD23 LEU 98 HD23 LEU 98 1.097 4.842 -3.791
803 H LYS 99 H LYS 99 -4.504 7.415 -3.984
804 HA LYS 99 HA LYS 99 -6.367 6.141 -5.727
805 HB2 LYS 99 HB2 LYS 99 -6.984 7.004 -3.506
806 HB3 LYS 99 HB3 LYS 99 -6.710 8.645 -4.070
807 HG2 LYS 99 HG2 LYS 99 -8.467 8.307 -5.811
808 HG3 LYS 99 HG3 LYS 99 -8.779 6.707 -5.138
809 HD2 LYS 99 HD2 LYS 99 -9.241 7.822 -2.920
810 HD3 LYS 99 HD3 LYS 99 -9.133 9.375 -3.747
811 HE2 LYS 99 HE2 LYS 99 -11.338 9.131 -4.181
812 HE3 LYS 99 HE3 LYS 99 -10.850 7.921 -5.368
813 HZ1 LYS 99 HZ1 LYS 99 -12.505 7.374 -3.401
814 HZ2 LYS 99 HZ2 LYS 99 -11.047 7.063 -2.586
815 HZ3 LYS 99 HZ3 LYS 99 -11.423 6.220 -4.013
816 H LYS 100 H LYS 100 -4.820 9.315 -5.816
817 HA LYS 100 HA LYS 100 -6.314 10.465 -7.946
818 HB2 LYS 100 HB2 LYS 100 -4.567 11.599 -6.487
819 HB3 LYS 100 HB3 LYS 100 -3.345 10.823 -7.485
820 HG2 LYS 100 HG2 LYS 100 -4.330 11.887 -9.499
821 HG3 LYS 100 HG3 LYS 100 -5.499 12.715 -8.470
822 HD2 LYS 100 HD2 LYS 100 -3.589 13.753 -7.224
823 HD3 LYS 100 HD3 LYS 100 -2.485 13.025 -8.392
824 HE2 LYS 100 HE2 LYS 100 -3.147 15.432 -8.883
825 HE3 LYS 100 HE3 LYS 100 -3.420 14.291 -10.200
826 HZ1 LYS 100 HZ1 LYS 100 -5.663 14.367 -9.932
827 HZ2 LYS 100 HZ2 LYS 100 -5.283 15.940 -9.415
828 HZ3 LYS 100 HZ3 LYS 100 -5.582 14.718 -8.274
829 H ALA 101 H ALA 101 -3.466 8.384 -7.946
830 HA ALA 101 HA ALA 101 -3.124 8.385 -10.818
831 HB1 ALA 101 HB1 ALA 101 -1.318 7.048 -10.402
832 HB2 ALA 101 HB2 ALA 101 -2.227 5.993 -9.319
833 HB3 ALA 101 HB3 ALA 101 -1.589 7.527 -8.726
834 H THR 102 H THR 102 -4.540 6.048 -8.523
835 HA THR 102 HA THR 102 -5.489 4.228 -10.517
836 HB THR 102 HB THR 102 -6.707 4.786 -7.793
837 HG1 THR 102 HG1 THR 102 -5.237 3.370 -7.011
838 HG21 THR 102 HG21 THR 102 -7.553 3.128 -9.868
839 HG22 THR 102 HG22 THR 102 -8.032 3.004 -8.175
840 HG23 THR 102 HG23 THR 102 -6.682 2.045 -8.782
841 H GLU 103 H GLU 103 -6.749 7.222 -9.182
842 HA GLU 103 HA GLU 103 -9.441 7.156 -9.860
843 HB2 GLU 103 HB2 GLU 103 -8.221 9.128 -8.887
844 HB3 GLU 103 HB3 GLU 103 -7.605 9.481 -10.502
845 HG2 GLU 103 HG2 GLU 103 -9.951 9.628 -11.330
846 HG3 GLU 103 HG3 GLU 103 -10.520 9.388 -9.678
847 HHA HEC 104 HA HEC 104 2.578 -6.080 0.867
848 HHB HEC 104 HB HEC 104 1.324 0.147 0.642
849 HHC HEC 104 HC HEC 104 7.233 1.380 2.525
850 HHD HEC 104 HD HEC 104 8.518 -4.794 2.544
851 HMA1 HEC 104 1HMA HEC 104 -0.607 -0.940 0.479
852 HMA2 HEC 104 2HMA HEC 104 -1.244 -2.514 0.036
853 HMA3 HEC 104 3HMA HEC 104 -0.285 -1.599 -1.124
854 HAA1 HEC 104 1HAA HEC 104 0.486 -5.860 0.465
855 HAA2 HEC 104 2HAA HEC 104 -0.652 -4.793 1.256
856 HBA1 HEC 104 1HBA HEC 104 -0.409 -4.008 -1.490
857 HBA2 HEC 104 2HBA HEC 104 -1.829 -4.606 -0.633
858 HMB1 HEC 104 1HMB HEC 104 1.786 2.490 0.330
859 HMB2 HEC 104 2HMB HEC 104 1.607 2.397 2.080
860 HMB3 HEC 104 3HMB HEC 104 2.677 3.602 1.368
861 HAB HEC 104 HAB HEC 104 6.349 3.230 1.960
862 HBB1 HEC 104 1HBB HEC 104 5.412 4.448 3.584
863 HBB2 HEC 104 2HBB HEC 104 3.887 3.587 3.372
864 HBB3 HEC 104 3HBB HEC 104 4.221 5.036 2.425
865 HMC1 HEC 104 1HMC HEC 104 10.497 -0.137 3.651
866 HMC2 HEC 104 2HMC HEC 104 9.651 1.045 2.653
867 HMC3 HEC 104 3HMC HEC 104 9.056 0.669 4.271
868 HAC HEC 104 HAC HEC 104 10.364 -3.695 2.433
869 HBC1 HEC 104 1HBC HEC 104 11.888 -2.042 4.174
870 HBC2 HEC 104 2HBC HEC 104 10.293 -2.237 4.902
871 HBC3 HEC 104 3HBC HEC 104 11.259 -3.657 4.498
872 HMD1 HEC 104 1HMD HEC 104 8.088 -7.540 1.711
873 HMD2 HEC 104 2HMD HEC 104 6.897 -8.128 2.861
874 HMD3 HEC 104 3HMD HEC 104 7.933 -6.793 3.298
875 HAD1 HEC 104 1HAD HEC 104 4.032 -7.757 0.170
876 HAD2 HEC 104 2HAD HEC 104 3.792 -8.199 1.843
877 HBD1 HEC 104 1HBD HEC 104 5.659 -9.559 1.888
878 HBD2 HEC 104 2HBD HEC 104 6.480 -8.659 0.608
Start of MODEL 2
1 H1 THR -5 H1 THR -5 -16.969 3.887 -1.123
2 H2 THR -5 H2 THR -5 -18.208 4.820 -0.427
3 H3 THR -5 H3 THR -5 -18.194 3.133 -0.225
4 HA THR -5 HA THR -5 -17.444 4.212 1.790
5 HB THR -5 HB THR -5 -15.340 2.997 2.036
6 HG1 THR -5 HG1 THR -5 -14.103 3.239 0.350
7 HG21 THR -5 HG21 THR -5 -17.756 1.900 1.108
8 HG22 THR -5 HG22 THR -5 -16.467 1.052 1.962
9 HG23 THR -5 HG23 THR -5 -16.489 1.078 0.199
10 H GLU -4 H GLU -4 -16.685 6.127 2.530
11 HA GLU -4 HA GLU -4 -14.799 7.658 0.787
12 HB2 GLU -4 HB2 GLU -4 -16.676 8.643 2.959
13 HB3 GLU -4 HB3 GLU -4 -15.624 9.661 1.974
14 HG2 GLU -4 HG2 GLU -4 -16.788 8.843 -0.068
15 HG3 GLU -4 HG3 GLU -4 -17.880 7.908 0.955
16 H PHE -3 H PHE -3 -13.046 8.800 1.867
17 HA PHE -3 HA PHE -3 -12.423 7.809 4.606
18 HB2 PHE -3 HB2 PHE -3 -10.103 7.401 3.951
19 HB3 PHE -3 HB3 PHE -3 -11.179 6.455 2.923
20 HD1 PHE -3 HD1 PHE -3 -11.634 7.156 0.590
21 HD2 PHE -3 HD2 PHE -3 -8.815 9.245 3.067
22 HE1 PHE -3 HE1 PHE -3 -10.695 8.268 -1.417
23 HE2 PHE -3 HE2 PHE -3 -7.875 10.357 1.060
24 HZ PHE -3 HZ PHE -3 -8.815 9.868 -1.182
25 H LYS -2 H LYS -2 -10.806 9.192 5.715
26 HA LYS -2 HA LYS -2 -11.295 12.013 5.111
27 HB2 LYS -2 HB2 LYS -2 -11.229 11.088 7.451
28 HB3 LYS -2 HB3 LYS -2 -9.503 10.808 7.239
29 HG2 LYS -2 HG2 LYS -2 -9.554 12.909 8.284
30 HG3 LYS -2 HG3 LYS -2 -9.415 13.330 6.578
31 HD2 LYS -2 HD2 LYS -2 -11.789 13.772 6.424
32 HD3 LYS -2 HD3 LYS -2 -12.060 13.139 8.047
33 HE2 LYS -2 HE2 LYS -2 -10.533 15.641 7.284
34 HE3 LYS -2 HE3 LYS -2 -12.031 15.544 8.210
35 HZ1 LYS -2 HZ1 LYS -2 -9.290 14.955 9.034
36 HZ2 LYS -2 HZ2 LYS -2 -10.528 14.004 9.704
37 HZ3 LYS -2 HZ3 LYS -2 -10.548 15.691 9.903
38 H ALA -1 H ALA -1 -9.854 13.410 4.159
39 HA ALA -1 HA ALA -1 -7.168 12.312 3.444
40 HB1 ALA -1 HB1 ALA -1 -7.323 13.923 1.484
41 HB2 ALA -1 HB2 ALA -1 -9.019 14.149 1.913
42 HB3 ALA -1 HB3 ALA -1 -8.437 12.557 1.426
43 H GLY 1 H GLY 1 -6.037 14.696 2.518
44 HA2 GLY 1 HA2 GLY 1 -6.405 16.903 4.325
45 HA3 GLY 1 HA3 GLY 1 -5.059 15.900 4.865
46 H SER 2 H SER 2 -3.365 15.439 3.152
47 HA SER 2 HA SER 2 -3.209 17.541 1.076
48 HB2 SER 2 HB2 SER 2 -1.993 18.382 3.060
49 HB3 SER 2 HB3 SER 2 -1.017 16.920 3.064
50 HG SER 2 HG SER 2 0.195 18.217 1.870
51 H ALA 3 H ALA 3 -3.219 16.184 -0.688
52 HA ALA 3 HA ALA 3 -2.027 13.570 -0.720
53 HB1 ALA 3 HB1 ALA 3 -2.281 15.080 -3.273
54 HB2 ALA 3 HB2 ALA 3 -3.763 14.826 -2.352
55 HB3 ALA 3 HB3 ALA 3 -2.804 13.443 -2.880
56 H LYS 4 H LYS 4 -0.806 16.782 -1.362
57 HA LYS 4 HA LYS 4 1.503 16.163 -2.874
58 HB2 LYS 4 HB2 LYS 4 1.157 18.273 -0.720
59 HB3 LYS 4 HB3 LYS 4 2.425 18.262 -1.947
60 HG2 LYS 4 HG2 LYS 4 1.023 18.998 -3.577
61 HG3 LYS 4 HG3 LYS 4 -0.300 17.966 -3.030
62 HD2 LYS 4 HD2 LYS 4 0.526 20.368 -1.412
63 HD3 LYS 4 HD3 LYS 4 -0.563 20.547 -2.788
64 HE2 LYS 4 HE2 LYS 4 -2.250 19.277 -1.792
65 HE3 LYS 4 HE3 LYS 4 -1.126 18.427 -0.733
66 HZ1 LYS 4 HZ1 LYS 4 -1.804 19.879 0.799
67 HZ2 LYS 4 HZ2 LYS 4 -2.473 20.941 -0.345
68 HZ3 LYS 4 HZ3 LYS 4 -0.812 21.003 0.007
69 H LYS 5 H LYS 5 1.082 16.246 0.680
70 HA LYS 5 HA LYS 5 3.780 15.514 1.287
71 HB2 LYS 5 HB2 LYS 5 1.226 15.098 2.847
72 HB3 LYS 5 HB3 LYS 5 2.842 14.863 3.501
73 HG2 LYS 5 HG2 LYS 5 3.376 17.235 2.928
74 HG3 LYS 5 HG3 LYS 5 1.701 17.450 2.414
75 HD2 LYS 5 HD2 LYS 5 0.956 16.765 4.699
76 HD3 LYS 5 HD3 LYS 5 2.648 16.700 5.196
77 HE2 LYS 5 HE2 LYS 5 1.551 19.191 3.914
78 HE3 LYS 5 HE3 LYS 5 1.289 18.891 5.633
79 HZ1 LYS 5 HZ1 LYS 5 3.774 18.480 5.731
80 HZ2 LYS 5 HZ2 LYS 5 3.272 20.090 5.519
81 HZ3 LYS 5 HZ3 LYS 5 3.855 19.198 4.196
82 H GLY 6 H GLY 6 0.828 13.598 0.840
83 HA2 GLY 6 HA2 GLY 6 2.019 11.058 1.435
84 HA3 GLY 6 HA3 GLY 6 0.540 11.293 0.507
85 H ALA 7 H ALA 7 1.792 12.973 -1.521
86 HA ALA 7 HA ALA 7 2.576 10.962 -3.365
87 HB1 ALA 7 HB1 ALA 7 1.776 13.406 -3.788
88 HB2 ALA 7 HB2 ALA 7 2.958 12.706 -4.894
89 HB3 ALA 7 HB3 ALA 7 3.484 13.819 -3.631
90 H THR 8 H THR 8 4.592 13.307 -1.577
91 HA THR 8 HA THR 8 7.046 12.097 -2.556
92 HB THR 8 HB THR 8 8.164 13.656 -1.101
93 HG1 THR 8 HG1 THR 8 7.213 14.524 0.606
94 HG21 THR 8 HG21 THR 8 6.148 14.411 -2.963
95 HG22 THR 8 HG22 THR 8 7.612 15.295 -2.531
96 HG23 THR 8 HG23 THR 8 6.116 15.575 -1.639
97 H LEU 9 H LEU 9 4.981 11.698 0.263
98 HA LEU 9 HA LEU 9 6.790 10.376 1.990
99 HB2 LEU 9 HB2 LEU 9 4.438 11.072 2.563
100 HB3 LEU 9 HB3 LEU 9 3.860 9.706 1.610
101 HG LEU 9 HG LEU 9 5.219 8.182 3.055
102 HD11 LEU 9 HD11 LEU 9 6.925 9.387 4.040
103 HD12 LEU 9 HD12 LEU 9 5.746 9.447 5.350
104 HD13 LEU 9 HD13 LEU 9 5.925 10.823 4.261
105 HD21 LEU 9 HD21 LEU 9 3.501 9.772 4.921
106 HD22 LEU 9 HD22 LEU 9 3.551 8.028 4.658
107 HD23 LEU 9 HD23 LEU 9 2.743 9.074 3.490
108 H PHE 10 H PHE 10 4.714 9.068 -0.582
109 HA PHE 10 HA PHE 10 5.525 6.340 -0.259
110 HB2 PHE 10 HB2 PHE 10 3.521 7.014 -1.561
111 HB3 PHE 10 HB3 PHE 10 4.570 7.767 -2.763
112 HD1 PHE 10 HD2 PHE 10 6.292 6.300 -3.966
113 HD2 PHE 10 HD1 PHE 10 3.052 4.686 -1.648
114 HE1 PHE 10 HE2 PHE 10 6.550 4.123 -5.121
115 HE2 PHE 10 HE1 PHE 10 3.308 2.503 -2.810
116 HZ PHE 10 HZ PHE 10 5.058 2.227 -4.553
117 H LYS 11 H LYS 11 6.704 8.971 -2.331
118 HA LYS 11 HA LYS 11 8.654 7.463 -3.722
119 HB2 LYS 11 HB2 LYS 11 8.603 10.403 -3.013
120 HB3 LYS 11 HB3 LYS 11 9.717 9.676 -4.167
121 HG2 LYS 11 HG2 LYS 11 7.751 8.846 -5.471
122 HG3 LYS 11 HG3 LYS 11 6.698 9.723 -4.362
123 HD2 LYS 11 HD2 LYS 11 7.901 11.831 -4.950
124 HD3 LYS 11 HD3 LYS 11 8.833 10.928 -6.143
125 HE2 LYS 11 HE2 LYS 11 7.173 11.277 -7.622
126 HE3 LYS 11 HE3 LYS 11 6.132 10.267 -6.618
127 HZ1 LYS 11 HZ1 LYS 11 5.933 12.462 -5.245
128 HZ2 LYS 11 HZ2 LYS 11 4.967 12.212 -6.620
129 HZ3 LYS 11 HZ3 LYS 11 6.353 13.189 -6.719
130 H THR 12 H THR 12 8.816 9.130 -0.605
131 HA THR 12 HA THR 12 11.686 8.494 -0.377
132 HB THR 12 HB THR 12 11.587 9.839 1.660
133 HG1 THR 12 HG1 THR 12 9.285 10.872 1.753
134 HG21 THR 12 HG21 THR 12 11.798 11.598 0.282
135 HG22 THR 12 HG22 THR 12 10.040 11.726 0.204
136 HG23 THR 12 HG23 THR 12 10.906 10.736 -0.972
137 H ARG 13 H ARG 13 8.997 6.662 0.114
138 HA ARG 13 HA ARG 13 10.365 5.202 2.325
139 HB2 ARG 13 HB2 ARG 13 7.442 5.965 2.244
140 HB3 ARG 13 HB3 ARG 13 8.113 4.767 3.351
141 HG2 ARG 13 HG2 ARG 13 9.725 6.509 4.167
142 HG3 ARG 13 HG3 ARG 13 8.885 7.692 3.164
143 HD2 ARG 13 HD2 ARG 13 6.763 7.131 4.376
144 HD3 ARG 13 HD3 ARG 13 7.701 6.090 5.449
145 HE ARG 13 HE ARG 13 8.763 8.797 5.314
146 HH11 ARG 13 HH21 ARG 13 6.419 6.689 6.707
147 HH12 ARG 13 HH22 ARG 13 6.253 7.616 8.161
148 HH21 ARG 13 HH11 ARG 13 8.563 10.020 7.204
149 HH22 ARG 13 HH12 ARG 13 7.467 9.502 8.442
150 H CYS 14 H CYS 14 7.340 4.762 0.427
151 HA CYS 14 HA CYS 14 7.704 1.916 0.308
152 HB2 CYS 14 HB2 CYS 14 6.155 3.309 -1.817
153 HB3 CYS 14 HB3 CYS 14 5.753 1.848 -0.924
154 H LEU 15 H LEU 15 8.842 4.523 -1.744
155 HA LEU 15 HA LEU 15 9.424 3.097 -4.102
156 HB2 LEU 15 HB2 LEU 15 9.730 5.543 -3.819
157 HB3 LEU 15 HB3 LEU 15 11.150 5.231 -2.829
158 HG LEU 15 HG LEU 15 12.106 3.933 -4.786
159 HD11 LEU 15 HD11 LEU 15 9.467 4.576 -5.842
160 HD12 LEU 15 HD12 LEU 15 10.667 3.440 -6.453
161 HD13 LEU 15 HD13 LEU 15 10.748 5.140 -6.914
162 HD21 LEU 15 HD21 LEU 15 11.678 6.842 -4.570
163 HD22 LEU 15 HD22 LEU 15 12.136 6.298 -6.184
164 HD23 LEU 15 HD23 LEU 15 13.175 5.940 -4.804
165 H GLN 16 H GLN 16 11.196 3.202 -1.045
166 HA GLN 16 HA GLN 16 13.588 1.955 -1.883
167 HB2 GLN 16 HB2 GLN 16 12.118 1.724 0.757
168 HB3 GLN 16 HB3 GLN 16 13.780 1.197 0.491
169 HG2 GLN 16 HG2 GLN 16 14.430 3.479 -0.129
170 HG3 GLN 16 HG3 GLN 16 12.764 4.023 0.074
171 HE21 GLN 16 HE21 GLN 16 14.857 5.171 1.635
172 HE22 GLN 16 HE22 GLN 16 14.646 4.703 3.253
173 H CYS 17 H CYS 17 10.459 0.498 -1.009
174 HA CYS 17 HA CYS 17 11.599 -2.154 -1.789
175 HB2 CYS 17 HB2 CYS 17 9.233 -1.523 -0.018
176 HB3 CYS 17 HB3 CYS 17 9.762 -3.143 -0.453
177 H HIS 18 H HIS 18 8.658 -0.156 -2.073
178 HA HIS 18 HA HIS 18 7.764 -1.938 -4.280
179 HB2 HIS 18 HB2 HIS 18 6.330 0.389 -2.987
180 HB3 HIS 18 HB3 HIS 18 5.647 -0.713 -4.174
181 HD1 HIS 18 HD1 HIS 18 5.691 -3.363 -3.345
182 HD2 HIS 18 HD2 HIS 18 5.952 -0.411 -0.419
183 HE1 HIS 18 HE1 HIS 18 4.914 -4.429 -1.166
184 H THR 19 H THR 19 7.106 -1.060 -6.287
185 HA THR 19 HA THR 19 8.158 1.660 -6.924
186 HB THR 19 HB THR 19 8.257 -0.716 -8.785
187 HG1 THR 19 HG1 THR 19 10.304 -1.006 -8.181
188 HG21 THR 19 HG21 THR 19 9.966 0.890 -9.892
189 HG22 THR 19 HG22 THR 19 9.204 2.135 -8.901
190 HG23 THR 19 HG23 THR 19 8.248 1.242 -10.083
191 H VAL 20 H VAL 20 6.543 2.909 -7.828
192 HA VAL 20 HA VAL 20 3.902 1.767 -8.211
193 HB VAL 20 HB VAL 20 3.271 4.036 -8.937
194 HG11 VAL 20 HG11 VAL 20 4.196 3.287 -6.453
195 HG12 VAL 20 HG12 VAL 20 3.347 4.791 -6.804
196 HG13 VAL 20 HG13 VAL 20 5.110 4.762 -6.767
197 HG21 VAL 20 HG21 VAL 20 4.878 5.085 -10.165
198 HG22 VAL 20 HG22 VAL 20 6.183 4.191 -9.387
199 HG23 VAL 20 HG23 VAL 20 5.495 5.611 -8.599
200 H GLU 21 H GLU 21 6.651 1.976 -10.226
201 HA GLU 21 HA GLU 21 5.519 2.404 -12.779
202 HB2 GLU 21 HB2 GLU 21 7.975 2.116 -12.277
203 HB3 GLU 21 HB3 GLU 21 7.684 0.383 -12.128
204 HG2 GLU 21 HG2 GLU 21 6.768 0.374 -14.449
205 HG3 GLU 21 HG3 GLU 21 7.189 2.082 -14.591
206 H LYS 22 H LYS 22 4.456 1.013 -14.242
207 HA LYS 22 HA LYS 22 2.706 -0.942 -13.226
208 HB2 LYS 22 HB2 LYS 22 2.538 0.131 -15.491
209 HB3 LYS 22 HB3 LYS 22 3.868 -0.896 -16.028
210 HG2 LYS 22 HG2 LYS 22 2.535 -2.904 -15.428
211 HG3 LYS 22 HG3 LYS 22 1.196 -1.853 -14.964
212 HD2 LYS 22 HD2 LYS 22 1.186 -0.918 -17.283
213 HD3 LYS 22 HD3 LYS 22 2.427 -2.091 -17.724
214 HE2 LYS 22 HE2 LYS 22 0.968 -3.873 -17.644
215 HE3 LYS 22 HE3 LYS 22 -0.034 -3.134 -16.395
216 HZ1 LYS 22 HZ1 LYS 22 -1.314 -3.026 -18.320
217 HZ2 LYS 22 HZ2 LYS 22 0.001 -2.573 -19.296
218 HZ3 LYS 22 HZ3 LYS 22 -0.660 -1.468 -18.187
219 H GLY 23 H GLY 23 6.037 -1.212 -14.243
220 HA2 GLY 23 HA2 GLY 23 6.102 -3.965 -13.143
221 HA3 GLY 23 HA3 GLY 23 6.687 -3.731 -14.793
222 H GLY 24 H GLY 24 7.354 -3.145 -11.415
223 HA2 GLY 24 HA2 GLY 24 9.978 -1.919 -12.158
224 HA3 GLY 24 HA3 GLY 24 9.186 -1.710 -10.597
225 HA PRO 25 HA PRO 25 12.147 -5.424 -10.614
226 HB2 PRO 25 HB2 PRO 25 14.238 -4.322 -9.257
227 HB3 PRO 25 HB3 PRO 25 14.106 -4.270 -11.027
228 HG2 PRO 25 HG2 PRO 25 13.479 -2.163 -9.018
229 HG3 PRO 25 HG3 PRO 25 14.272 -2.016 -10.597
230 HD2 PRO 25 HD2 PRO 25 11.636 -1.383 -10.193
231 HD3 PRO 25 HD3 PRO 25 12.265 -1.961 -11.752
232 H HIS 26 H HIS 26 12.038 -6.806 -8.854
233 HA HIS 26 HA HIS 26 10.919 -5.677 -6.343
234 HB2 HIS 26 HB2 HIS 26 11.325 -8.590 -7.084
235 HB3 HIS 26 HB3 HIS 26 10.294 -7.951 -5.813
236 HD1 HIS 26 HD1 HIS 26 8.354 -6.197 -6.802
237 HD2 HIS 26 HD2 HIS 26 9.963 -9.027 -9.393
238 HE1 HIS 26 HE1 HIS 26 6.731 -6.393 -8.745
239 HE2 HIS 26 HE2 HIS 26 7.712 -8.110 -10.337
240 H LYS 27 H LYS 27 13.567 -4.978 -6.679
241 HA LYS 27 HA LYS 27 15.559 -6.774 -5.843
242 HB2 LYS 27 HB2 LYS 27 15.977 -4.436 -6.597
243 HB3 LYS 27 HB3 LYS 27 15.345 -3.854 -5.056
244 HG2 LYS 27 HG2 LYS 27 17.097 -5.044 -3.842
245 HG3 LYS 27 HG3 LYS 27 17.699 -5.743 -5.346
246 HD2 LYS 27 HD2 LYS 27 19.093 -3.837 -4.776
247 HD3 LYS 27 HD3 LYS 27 18.126 -3.421 -6.191
248 HE2 LYS 27 HE2 LYS 27 17.023 -2.793 -3.478
249 HE3 LYS 27 HE3 LYS 27 18.289 -1.755 -4.134
250 HZ1 LYS 27 HZ1 LYS 27 16.555 -0.741 -5.108
251 HZ2 LYS 27 HZ2 LYS 27 15.540 -2.098 -4.992
252 HZ3 LYS 27 HZ3 LYS 27 16.683 -1.993 -6.245
253 H VAL 28 H VAL 28 13.457 -4.746 -3.774
254 HA VAL 28 HA VAL 28 14.454 -6.248 -1.411
255 HB VAL 28 HB VAL 28 12.390 -4.158 -1.063
256 HG11 VAL 28 HG11 VAL 28 13.600 -5.291 0.798
257 HG12 VAL 28 HG12 VAL 28 13.852 -3.545 0.796
258 HG13 VAL 28 HG13 VAL 28 15.112 -4.619 0.189
259 HG21 VAL 28 HG21 VAL 28 15.079 -3.647 -2.319
260 HG22 VAL 28 HG22 VAL 28 14.339 -2.432 -1.277
261 HG23 VAL 28 HG23 VAL 28 13.514 -2.956 -2.745
262 H GLY 29 H GLY 29 11.234 -5.026 -2.335
263 HA2 GLY 29 HA2 GLY 29 10.138 -7.751 -1.782
264 HA3 GLY 29 HA3 GLY 29 9.366 -6.311 -1.111
265 HA PRO 30 HA PRO 30 7.682 -7.587 -5.417
266 HB2 PRO 30 HB2 PRO 30 5.052 -7.324 -4.387
267 HB3 PRO 30 HB3 PRO 30 5.887 -8.833 -4.783
268 HG2 PRO 30 HG2 PRO 30 5.477 -7.534 -2.168
269 HG3 PRO 30 HG3 PRO 30 5.689 -9.247 -2.564
270 HD2 PRO 30 HD2 PRO 30 7.647 -7.780 -1.380
271 HD3 PRO 30 HD3 PRO 30 8.004 -9.119 -2.495
272 H ASN 31 H ASN 31 6.883 -6.022 -6.858
273 HA ASN 31 HA ASN 31 6.664 -3.285 -5.730
274 HB2 ASN 31 HB2 ASN 31 6.848 -4.114 -8.638
275 HB3 ASN 31 HB3 ASN 31 7.128 -2.513 -7.959
276 HD21 ASN 31 HD21 ASN 31 8.627 -3.402 -5.622
277 HD22 ASN 31 HD22 ASN 31 10.131 -3.968 -6.178
278 H LEU 32 H LEU 32 4.682 -2.383 -5.489
279 HA LEU 32 HA LEU 32 2.387 -3.676 -6.863
280 HB2 LEU 32 HB2 LEU 32 2.327 -1.740 -4.547
281 HB3 LEU 32 HB3 LEU 32 1.029 -2.783 -5.109
282 HG LEU 32 HG LEU 32 3.616 -3.624 -3.791
283 HD11 LEU 32 HD11 LEU 32 1.090 -4.735 -2.834
284 HD12 LEU 32 HD12 LEU 32 1.115 -2.969 -2.760
285 HD13 LEU 32 HD13 LEU 32 2.363 -3.903 -1.935
286 HD21 LEU 32 HD21 LEU 32 1.594 -5.195 -5.378
287 HD22 LEU 32 HD22 LEU 32 2.483 -5.959 -4.064
288 HD23 LEU 32 HD23 LEU 32 3.352 -5.282 -5.438
289 H HIS 33 H HIS 33 0.787 -2.396 -7.855
290 HA HIS 33 HA HIS 33 0.846 0.453 -8.042
291 HB2 HIS 33 HB2 HIS 33 2.844 0.134 -9.400
292 HB3 HIS 33 HB3 HIS 33 2.032 -1.095 -10.369
293 HD1 HIS 33 HD1 HIS 33 1.638 2.599 -9.494
294 HD2 HIS 33 HD2 HIS 33 0.701 -0.057 -12.573
295 HE1 HIS 33 HE1 HIS 33 0.645 3.990 -11.366
296 HE2 HIS 33 HE2 HIS 33 0.074 2.385 -13.244
297 H GLY 34 H GLY 34 -1.377 0.439 -7.909
298 HA2 GLY 34 HA2 GLY 34 -3.479 0.514 -9.064
299 HA3 GLY 34 HA3 GLY 34 -2.822 -0.578 -10.282
300 H ILE 35 H ILE 35 -2.062 -1.675 -7.166
301 HA ILE 35 HA ILE 35 -3.706 -4.012 -7.454
302 HB ILE 35 HB ILE 35 -2.923 -4.629 -5.244
303 HG12 ILE 35 HG12 ILE 35 -1.886 -1.781 -4.998
304 HG13 ILE 35 HG13 ILE 35 -3.325 -2.381 -4.178
305 HG21 ILE 35 HG21 ILE 35 -0.569 -4.561 -5.645
306 HG22 ILE 35 HG22 ILE 35 -0.701 -3.070 -6.577
307 HG23 ILE 35 HG23 ILE 35 -1.336 -4.580 -7.232
308 HD11 ILE 35 HD11 ILE 35 -1.092 -2.403 -2.871
309 HD12 ILE 35 HD12 ILE 35 -0.690 -3.797 -3.872
310 HD13 ILE 35 HD13 ILE 35 -2.100 -3.848 -2.817
311 H PHE 36 H PHE 36 -4.419 -0.873 -6.398
312 HA PHE 36 HA PHE 36 -6.265 -1.180 -4.333
313 HB2 PHE 36 HB2 PHE 36 -6.166 0.674 -6.703
314 HB3 PHE 36 HB3 PHE 36 -7.507 0.756 -5.559
315 HD1 PHE 36 HD2 PHE 36 -3.733 0.534 -5.526
316 HD2 PHE 36 HD1 PHE 36 -7.291 2.162 -3.730
317 HE1 PHE 36 HE2 PHE 36 -2.348 1.845 -3.942
318 HE2 PHE 36 HE1 PHE 36 -5.903 3.479 -2.162
319 HZ PHE 36 HZ PHE 36 -3.431 3.308 -2.259
320 H GLY 37 H GLY 37 -6.630 -2.056 -7.722
321 HA2 GLY 37 HA2 GLY 37 -9.439 -2.916 -7.144
322 HA3 GLY 37 HA3 GLY 37 -8.826 -2.544 -8.755
323 H ARG 38 H ARG 38 -7.043 -4.455 -6.374
324 HA ARG 38 HA ARG 38 -7.631 -6.906 -7.970
325 HB2 ARG 38 HB2 ARG 38 -4.883 -5.932 -7.148
326 HB3 ARG 38 HB3 ARG 38 -5.218 -7.510 -7.853
327 HG2 ARG 38 HG2 ARG 38 -6.018 -4.943 -9.230
328 HG3 ARG 38 HG3 ARG 38 -4.435 -5.680 -9.472
329 HD2 ARG 38 HD2 ARG 38 -5.686 -7.837 -10.061
330 HD3 ARG 38 HD3 ARG 38 -7.146 -6.850 -10.139
331 HE ARG 38 HE ARG 38 -5.251 -5.546 -11.749
332 HH11 ARG 38 HH21 ARG 38 -6.837 -8.599 -11.531
333 HH12 ARG 38 HH22 ARG 38 -6.810 -8.884 -13.239
334 HH21 ARG 38 HH11 ARG 38 -5.208 -5.901 -13.982
335 HH22 ARG 38 HH12 ARG 38 -5.888 -7.357 -14.627
336 H HIS 39 H HIS 39 -6.787 -8.900 -6.805
337 HA HIS 39 HA HIS 39 -7.602 -8.713 -3.975
338 HB2 HIS 39 HB2 HIS 39 -7.140 -10.968 -5.909
339 HB3 HIS 39 HB3 HIS 39 -7.222 -11.284 -4.177
340 HD1 HIS 39 HD1 HIS 39 -9.273 -9.120 -6.562
341 HD2 HIS 39 HD2 HIS 39 -9.836 -11.938 -3.548
342 HE1 HIS 39 HE1 HIS 39 -11.773 -9.422 -6.334
343 HE2 HIS 39 HE2 HIS 39 -12.131 -11.128 -4.487
344 H SER 40 H SER 40 -6.279 -9.512 -2.260
345 HA SER 40 HA SER 40 -3.553 -8.765 -2.334
346 HB2 SER 40 HB2 SER 40 -5.328 -9.756 -0.409
347 HB3 SER 40 HB3 SER 40 -4.050 -10.959 -0.485
348 HG SER 40 HG SER 40 -2.613 -9.497 0.165
349 H GLY 41 H GLY 41 -1.776 -9.802 -3.120
350 HA2 GLY 41 HA2 GLY 41 -0.466 -11.825 -3.470
351 HA3 GLY 41 HA3 GLY 41 -1.963 -12.732 -3.601
352 H GLN 42 H GLN 42 -2.396 -9.903 -5.303
353 HA GLN 42 HA GLN 42 -1.677 -11.321 -7.840
354 HB2 GLN 42 HB2 GLN 42 -3.692 -9.118 -7.320
355 HB3 GLN 42 HB3 GLN 42 -3.346 -9.816 -8.904
356 HG2 GLN 42 HG2 GLN 42 -3.994 -12.043 -8.074
357 HG3 GLN 42 HG3 GLN 42 -4.337 -11.354 -6.487
358 HE21 GLN 42 HE21 GLN 42 -6.400 -12.652 -7.969
359 HE22 GLN 42 HE22 GLN 42 -7.536 -11.488 -8.455
360 H ALA 43 H ALA 43 0.148 -10.590 -8.759
361 HA ALA 43 HA ALA 43 0.621 -7.664 -8.843
362 HB1 ALA 43 HB1 ALA 43 3.175 -8.680 -8.532
363 HB2 ALA 43 HB2 ALA 43 2.232 -9.637 -7.389
364 HB3 ALA 43 HB3 ALA 43 2.239 -7.878 -7.271
365 H GLU 44 H GLU 44 1.674 -7.009 -10.729
366 HA GLU 44 HA GLU 44 1.675 -8.940 -12.927
367 HB2 GLU 44 HB2 GLU 44 2.428 -6.001 -12.818
368 HB3 GLU 44 HB3 GLU 44 2.347 -6.961 -14.297
369 HG2 GLU 44 HG2 GLU 44 -0.041 -7.458 -13.815
370 HG3 GLU 44 HG3 GLU 44 0.052 -6.424 -12.389
371 H GLY 45 H GLY 45 4.028 -7.191 -10.974
372 HA2 GLY 45 HA2 GLY 45 6.292 -8.155 -12.559
373 HA3 GLY 45 HA3 GLY 45 6.392 -7.230 -11.057
374 H TYR 46 H TYR 46 5.654 -8.505 -9.047
375 HA TYR 46 HA TYR 46 6.323 -11.389 -9.333
376 HB2 TYR 46 HB2 TYR 46 8.357 -10.582 -8.489
377 HB3 TYR 46 HB3 TYR 46 7.560 -9.377 -7.476
378 HD1 TYR 46 HD2 TYR 46 7.112 -13.078 -7.946
379 HD2 TYR 46 HD1 TYR 46 7.872 -9.851 -5.213
380 HE1 TYR 46 HE2 TYR 46 7.095 -14.677 -6.050
381 HE2 TYR 46 HE1 TYR 46 7.849 -11.447 -3.319
382 HH TYR 46 HH TYR 46 6.666 -14.589 -3.578
383 H SER 47 H SER 47 5.195 -12.776 -8.090
384 HA SER 47 HA SER 47 2.727 -11.858 -6.941
385 HB2 SER 47 HB2 SER 47 2.332 -14.143 -6.395
386 HB3 SER 47 HB3 SER 47 3.259 -14.188 -7.891
387 HG SER 47 HG SER 47 4.440 -14.296 -5.316
388 H TYR 48 H TYR 48 2.157 -12.041 -4.677
389 HA TYR 48 HA TYR 48 4.113 -10.847 -2.933
390 HB2 TYR 48 HB2 TYR 48 1.413 -12.074 -2.345
391 HB3 TYR 48 HB3 TYR 48 2.365 -11.169 -1.182
392 HD1 TYR 48 HD1 TYR 48 1.094 -10.778 -4.719
393 HD2 TYR 48 HD2 TYR 48 1.944 -8.909 -0.951
394 HE1 TYR 48 HE1 TYR 48 0.179 -8.646 -5.567
395 HE2 TYR 48 HE2 TYR 48 1.030 -6.774 -1.801
396 HH TYR 48 HH TYR 48 -0.896 -6.527 -4.431
397 H THR 49 H THR 49 3.723 -12.150 -0.496
398 HA THR 49 HA THR 49 5.636 -14.307 -0.681
399 HB THR 49 HB THR 49 3.817 -13.565 1.633
400 HG1 THR 49 HG1 THR 49 5.296 -11.926 0.676
401 HG21 THR 49 HG21 THR 49 6.373 -15.170 1.422
402 HG22 THR 49 HG22 THR 49 4.802 -15.723 1.999
403 HG23 THR 49 HG23 THR 49 5.733 -14.567 2.951
404 H ASP 50 H ASP 50 5.245 -16.574 -0.352
405 HA ASP 50 HA ASP 50 2.992 -17.670 -1.612
406 HB2 ASP 50 HB2 ASP 50 3.667 -19.800 -0.661
407 HB3 ASP 50 HB3 ASP 50 5.114 -18.895 -1.094
408 H ALA 51 H ALA 51 3.472 -16.937 1.840
409 HA ALA 51 HA ALA 51 0.984 -18.130 2.691
410 HB1 ALA 51 HB1 ALA 51 2.240 -17.766 4.569
411 HB2 ALA 51 HB2 ALA 51 1.430 -16.199 4.557
412 HB3 ALA 51 HB3 ALA 51 3.048 -16.362 3.873
413 H ASN 52 H ASN 52 1.948 -14.797 1.914
414 HA ASN 52 HA ASN 52 -0.579 -13.569 2.330
415 HB2 ASN 52 HB2 ASN 52 1.492 -12.284 1.985
416 HB3 ASN 52 HB3 ASN 52 1.583 -12.865 0.322
417 HD21 ASN 52 HD21 ASN 52 1.498 -10.281 0.138
418 HD22 ASN 52 HD22 ASN 52 -0.063 -9.649 -0.104
419 H ILE 53 H ILE 53 0.809 -15.093 -0.561
420 HA ILE 53 HA ILE 53 -1.383 -14.518 -2.300
421 HB ILE 53 HB ILE 53 0.605 -16.792 -2.353
422 HG12 ILE 53 HG12 ILE 53 0.530 -14.206 -3.932
423 HG13 ILE 53 HG13 ILE 53 1.490 -14.425 -2.469
424 HG21 ILE 53 HG21 ILE 53 -1.347 -17.360 -3.695
425 HG22 ILE 53 HG22 ILE 53 -0.024 -16.912 -4.773
426 HG23 ILE 53 HG23 ILE 53 -1.326 -15.767 -4.452
427 HD11 ILE 53 HD11 ILE 53 2.553 -16.437 -3.598
428 HD12 ILE 53 HD12 ILE 53 2.949 -14.880 -4.324
429 HD13 ILE 53 HD13 ILE 53 1.752 -15.927 -5.085
430 H LYS 54 H LYS 54 -0.838 -17.066 0.071
431 HA LYS 54 HA LYS 54 -2.844 -18.888 -0.735
432 HB2 LYS 54 HB2 LYS 54 -1.244 -19.311 1.119
433 HB3 LYS 54 HB3 LYS 54 -2.100 -18.121 2.096
434 HG2 LYS 54 HG2 LYS 54 -4.175 -19.454 1.885
435 HG3 LYS 54 HG3 LYS 54 -3.287 -20.665 0.960
436 HD2 LYS 54 HD2 LYS 54 -1.734 -20.930 2.916
437 HD3 LYS 54 HD3 LYS 54 -2.783 -19.849 3.835
438 HE2 LYS 54 HE2 LYS 54 -3.562 -21.999 4.415
439 HE3 LYS 54 HE3 LYS 54 -4.692 -21.470 3.169
440 HZ1 LYS 54 HZ1 LYS 54 -4.149 -23.315 2.087
441 HZ2 LYS 54 HZ2 LYS 54 -2.855 -23.649 3.136
442 HZ3 LYS 54 HZ3 LYS 54 -2.627 -22.629 1.797
443 H LYS 55 H LYS 55 -3.081 -15.975 1.289
444 HA LYS 55 HA LYS 55 -6.055 -16.199 1.151
445 HB2 LYS 55 HB2 LYS 55 -4.905 -15.890 3.399
446 HB3 LYS 55 HB3 LYS 55 -4.426 -14.286 2.843
447 HG2 LYS 55 HG2 LYS 55 -6.816 -13.735 2.439
448 HG3 LYS 55 HG3 LYS 55 -7.269 -15.315 3.078
449 HD2 LYS 55 HD2 LYS 55 -6.092 -14.710 5.217
450 HD3 LYS 55 HD3 LYS 55 -5.863 -13.085 4.570
451 HE2 LYS 55 HE2 LYS 55 -8.246 -12.729 4.424
452 HE3 LYS 55 HE3 LYS 55 -8.572 -14.414 4.829
453 HZ1 LYS 55 HZ1 LYS 55 -8.739 -12.677 6.675
454 HZ2 LYS 55 HZ2 LYS 55 -7.041 -12.677 6.659
455 HZ3 LYS 55 HZ3 LYS 55 -7.889 -14.106 7.009
456 H ASN 56 H ASN 56 -7.098 -14.875 -0.274
457 HA ASN 56 HA ASN 56 -5.659 -12.413 -1.196
458 HB2 ASN 56 HB2 ASN 56 -7.594 -13.499 -3.086
459 HB3 ASN 56 HB3 ASN 56 -5.931 -13.005 -3.361
460 HD21 ASN 56 HD21 ASN 56 -7.997 -15.746 -2.965
461 HD22 ASN 56 HD22 ASN 56 -6.782 -16.930 -2.923
462 H VAL 57 H VAL 57 -6.818 -10.571 -0.934
463 HA VAL 57 HA VAL 57 -9.777 -10.783 -0.684
464 HB VAL 57 HB VAL 57 -7.957 -9.069 1.017
465 HG11 VAL 57 HG11 VAL 57 -9.836 -7.805 1.170
466 HG12 VAL 57 HG12 VAL 57 -10.448 -9.110 2.186
467 HG13 VAL 57 HG13 VAL 57 -10.847 -9.069 0.468
468 HG21 VAL 57 HG21 VAL 57 -7.825 -11.393 1.708
469 HG22 VAL 57 HG22 VAL 57 -9.580 -11.553 1.637
470 HG23 VAL 57 HG23 VAL 57 -8.837 -10.529 2.865
471 H LEU 58 H LEU 58 -10.894 -9.224 -1.821
472 HA LEU 58 HA LEU 58 -9.627 -7.732 -3.853
473 HB2 LEU 58 HB2 LEU 58 -12.044 -8.155 -3.858
474 HB3 LEU 58 HB3 LEU 58 -12.238 -7.121 -2.443
475 HG LEU 58 HG LEU 58 -11.314 -5.205 -3.757
476 HD11 LEU 58 HD11 LEU 58 -10.923 -7.394 -5.706
477 HD12 LEU 58 HD12 LEU 58 -10.048 -5.875 -5.529
478 HD13 LEU 58 HD13 LEU 58 -11.590 -5.910 -6.383
479 HD21 LEU 58 HD21 LEU 58 -13.309 -5.148 -5.422
480 HD22 LEU 58 HD22 LEU 58 -13.674 -5.259 -3.700
481 HD23 LEU 58 HD23 LEU 58 -13.755 -6.701 -4.712
482 H TRP 59 H TRP 59 -8.849 -5.625 -3.947
483 HA TRP 59 HA TRP 59 -8.342 -4.388 -1.308
484 HB2 TRP 59 HB2 TRP 59 -7.003 -4.255 -3.984
485 HB3 TRP 59 HB3 TRP 59 -6.752 -2.959 -2.817
486 HD1 TRP 59 HD1 TRP 59 -5.220 -6.054 -3.811
487 HE1 TRP 59 HE1 TRP 59 -3.801 -7.072 -1.909
488 HE3 TRP 59 HE3 TRP 59 -6.997 -3.373 0.156
489 HZ2 TRP 59 HZ2 TRP 59 -3.484 -6.795 0.916
490 HZ3 TRP 59 HZ3 TRP 59 -6.130 -3.775 2.436
491 HH2 TRP 59 HH2 TRP 59 -4.376 -5.492 2.822
492 H ASP 60 H ASP 60 -8.921 -2.269 -0.868
493 HA ASP 60 HA ASP 60 -10.341 -0.718 -2.953
494 HB2 ASP 60 HB2 ASP 60 -12.035 -2.122 -1.699
495 HB3 ASP 60 HB3 ASP 60 -11.576 -1.251 -0.236
496 H GLU 61 H GLU 61 -10.611 1.568 -2.247
497 HA GLU 61 HA GLU 61 -8.278 2.652 -1.092
498 HB2 GLU 61 HB2 GLU 61 -11.069 3.847 -1.139
499 HB3 GLU 61 HB3 GLU 61 -9.571 4.747 -0.894
500 HG2 GLU 61 HG2 GLU 61 -8.772 4.021 -3.115
501 HG3 GLU 61 HG3 GLU 61 -10.279 3.139 -3.365
502 H ASN 62 H ASN 62 -11.355 1.739 0.404
503 HA ASN 62 HA ASN 62 -10.579 2.729 3.036
504 HB2 ASN 62 HB2 ASN 62 -12.971 2.439 2.159
505 HB3 ASN 62 HB3 ASN 62 -12.755 0.714 2.451
506 HD21 ASN 62 HD21 ASN 62 -14.697 1.566 4.013
507 HD22 ASN 62 HD22 ASN 62 -14.192 1.924 5.599
508 H ASN 63 H ASN 63 -10.818 -0.502 1.514
509 HA ASN 63 HA ASN 63 -10.003 -1.990 3.797
510 HB2 ASN 63 HB2 ASN 63 -9.640 -2.573 0.846
511 HB3 ASN 63 HB3 ASN 63 -9.382 -3.745 2.134
512 HD21 ASN 63 HD21 ASN 63 -11.375 -4.233 0.180
513 HD22 ASN 63 HD22 ASN 63 -12.909 -4.102 0.910
514 H MET 64 H MET 64 -8.102 -0.524 1.173
515 HA MET 64 HA MET 64 -5.580 -1.565 1.997
516 HB2 MET 64 HB2 MET 64 -6.337 0.928 0.471
517 HB3 MET 64 HB3 MET 64 -4.668 0.453 0.737
518 HG2 MET 64 HG2 MET 64 -5.360 -1.830 -0.248
519 HG3 MET 64 HG3 MET 64 -6.800 -0.996 -0.825
520 HE1 MET 64 HE1 MET 64 -2.864 0.050 -0.562
521 HE2 MET 64 HE2 MET 64 -2.468 -0.639 -2.134
522 HE3 MET 64 HE3 MET 64 -3.199 -1.657 -0.895
523 H SER 65 H SER 65 -7.398 1.296 3.025
524 HA SER 65 HA SER 65 -5.337 2.595 4.470
525 HB2 SER 65 HB2 SER 65 -7.106 3.683 5.721
526 HB3 SER 65 HB3 SER 65 -7.648 3.505 4.055
527 HG SER 65 HG SER 65 -8.187 1.538 6.006
528 H GLU 66 H GLU 66 -7.391 -0.155 5.347
529 HA GLU 66 HA GLU 66 -6.593 -0.269 8.106
530 HB2 GLU 66 HB2 GLU 66 -7.549 -2.457 6.233
531 HB3 GLU 66 HB3 GLU 66 -7.417 -2.616 7.986
532 HG2 GLU 66 HG2 GLU 66 -9.113 -0.543 6.565
533 HG3 GLU 66 HG3 GLU 66 -9.730 -2.042 7.258
534 H TYR 67 H TYR 67 -5.296 -1.740 5.138
535 HA TYR 67 HA TYR 67 -3.307 -3.346 6.444
536 HB2 TYR 67 HB2 TYR 67 -3.994 -3.662 4.080
537 HB3 TYR 67 HB3 TYR 67 -3.213 -2.137 3.666
538 HD1 TYR 67 HD2 TYR 67 -2.656 -5.621 4.773
539 HD2 TYR 67 HD1 TYR 67 -0.798 -1.917 3.637
540 HE1 TYR 67 HE2 TYR 67 -0.468 -6.773 4.584
541 HE2 TYR 67 HE1 TYR 67 1.387 -3.071 3.446
542 HH TYR 67 HH TYR 67 2.338 -5.175 3.233
543 H LEU 68 H LEU 68 -3.196 -0.044 5.091
544 HA LEU 68 HA LEU 68 -0.464 0.478 5.415
545 HB2 LEU 68 HB2 LEU 68 -2.805 2.332 5.919
546 HB3 LEU 68 HB3 LEU 68 -1.137 2.855 5.700
547 HG LEU 68 HG LEU 68 -2.775 1.319 3.666
548 HD11 LEU 68 HD11 LEU 68 -2.844 3.377 2.413
549 HD12 LEU 68 HD12 LEU 68 -1.763 4.171 3.558
550 HD13 LEU 68 HD13 LEU 68 -3.402 3.741 4.044
551 HD21 LEU 68 HD21 LEU 68 -0.658 2.295 2.309
552 HD22 LEU 68 HD22 LEU 68 -0.641 0.704 3.072
553 HD23 LEU 68 HD23 LEU 68 0.090 2.083 3.892
554 H THR 69 H THR 69 -3.040 0.606 7.865
555 HA THR 69 HA THR 69 -1.502 1.681 9.986
556 HB THR 69 HB THR 69 -3.649 -0.447 10.214
557 HG1 THR 69 HG1 THR 69 -4.719 1.075 9.193
558 HG21 THR 69 HG21 THR 69 -4.079 0.805 12.364
559 HG22 THR 69 HG22 THR 69 -2.580 1.684 12.065
560 HG23 THR 69 HG23 THR 69 -2.544 -0.061 12.306
561 H ASN 70 H ASN 70 -1.873 -1.640 8.815
562 HA ASN 70 HA ASN 70 0.615 -2.358 10.286
563 HB2 ASN 70 HB2 ASN 70 -1.499 -3.129 11.505
564 HB3 ASN 70 HB3 ASN 70 -1.770 -4.213 10.144
565 HD21 ASN 70 HD21 ASN 70 -0.892 -6.255 10.457
566 HD22 ASN 70 HD22 ASN 70 0.473 -6.599 11.414
567 H HIS 71 H HIS 71 2.033 -3.239 8.840
568 HA HIS 71 HA HIS 71 1.379 -3.686 6.125
569 HB2 HIS 71 HB2 HIS 71 3.710 -4.017 7.803
570 HB3 HIS 71 HB3 HIS 71 3.554 -5.388 6.704
571 HD1 HIS 71 HD1 HIS 71 3.988 -1.645 6.733
572 HD2 HIS 71 HD2 HIS 71 3.916 -4.757 3.948
573 HE1 HIS 71 HE1 HIS 71 4.774 -0.662 4.532
574 H ALA 72 H ALA 72 0.210 -5.413 8.667
575 HA ALA 72 HA ALA 72 -0.561 -7.618 6.910
576 HB1 ALA 72 HB1 ALA 72 0.775 -9.252 7.684
577 HB2 ALA 72 HB2 ALA 72 0.597 -8.733 9.357
578 HB3 ALA 72 HB3 ALA 72 1.785 -7.955 8.317
579 H LYS 73 H LYS 73 -2.644 -6.712 7.455
580 HA LYS 73 HA LYS 73 -3.504 -7.086 10.278
581 HB2 LYS 73 HB2 LYS 73 -4.068 -4.949 9.050
582 HB3 LYS 73 HB3 LYS 73 -5.086 -5.908 7.974
583 HG2 LYS 73 HG2 LYS 73 -6.382 -6.704 9.934
584 HG3 LYS 73 HG3 LYS 73 -5.392 -5.689 10.983
585 HD2 LYS 73 HD2 LYS 73 -6.111 -3.700 9.621
586 HD3 LYS 73 HD3 LYS 73 -7.227 -4.759 8.758
587 HE2 LYS 73 HE2 LYS 73 -8.578 -3.866 10.458
588 HE3 LYS 73 HE3 LYS 73 -8.071 -5.413 11.137
589 HZ1 LYS 73 HZ1 LYS 73 -7.587 -2.818 12.117
590 HZ2 LYS 73 HZ2 LYS 73 -6.099 -3.557 11.758
591 HZ3 LYS 73 HZ3 LYS 73 -7.190 -4.308 12.823
592 H TYR 74 H TYR 74 -5.330 -7.538 7.255
593 HA TYR 74 HA TYR 74 -6.578 -9.954 8.292
594 HB2 TYR 74 HB2 TYR 74 -6.574 -8.789 5.488
595 HB3 TYR 74 HB3 TYR 74 -7.637 -10.076 6.061
596 HD1 TYR 74 HD2 TYR 74 -9.239 -9.594 7.966
597 HD2 TYR 74 HD1 TYR 74 -7.065 -6.505 5.922
598 HE1 TYR 74 HE2 TYR 74 -10.820 -7.899 8.848
599 HE2 TYR 74 HE1 TYR 74 -8.645 -4.809 6.804
600 HH TYR 74 HH TYR 74 -10.653 -4.521 7.817
601 H ILE 75 H ILE 75 -3.857 -9.186 6.229
602 HA ILE 75 HA ILE 75 -3.515 -11.807 5.086
603 HB ILE 75 HB ILE 75 -1.312 -9.805 5.563
604 HG12 ILE 75 HG12 ILE 75 -3.502 -9.777 3.464
605 HG13 ILE 75 HG13 ILE 75 -3.187 -8.537 4.677
606 HG21 ILE 75 HG21 ILE 75 -1.886 -11.677 3.249
607 HG22 ILE 75 HG22 ILE 75 -0.808 -12.070 4.588
608 HG23 ILE 75 HG23 ILE 75 -0.421 -10.731 3.507
609 HD11 ILE 75 HD11 ILE 75 -1.960 -7.549 3.038
610 HD12 ILE 75 HD12 ILE 75 -1.826 -9.042 2.110
611 HD13 ILE 75 HD13 ILE 75 -0.737 -8.746 3.467
612 HA PRO 76 HA PRO 76 -2.205 -13.704 9.018
613 HB2 PRO 76 HB2 PRO 76 -1.138 -15.768 7.161
614 HB3 PRO 76 HB3 PRO 76 -2.186 -15.958 8.577
615 HG2 PRO 76 HG2 PRO 76 -3.106 -16.152 6.066
616 HG3 PRO 76 HG3 PRO 76 -4.086 -15.525 7.400
617 HD2 PRO 76 HD2 PRO 76 -2.850 -14.057 5.134
618 HD3 PRO 76 HD3 PRO 76 -4.274 -13.645 6.114
619 H GLY 77 H GLY 77 -0.370 -13.367 10.107
620 HA2 GLY 77 HA2 GLY 77 1.799 -12.257 10.227
621 HA3 GLY 77 HA3 GLY 77 2.144 -13.972 10.043
622 H THR 78 H THR 78 1.212 -11.323 7.791
623 HA THR 78 HA THR 78 2.835 -12.457 5.688
624 HB THR 78 HB THR 78 0.832 -10.547 5.805
625 HG1 THR 78 HG1 THR 78 2.645 -11.396 3.832
626 HG21 THR 78 HG21 THR 78 2.612 -8.859 6.427
627 HG22 THR 78 HG22 THR 78 1.735 -8.482 4.949
628 HG23 THR 78 HG23 THR 78 3.354 -9.164 4.861
629 H LYS 79 H LYS 79 4.655 -11.051 4.666
630 HA LYS 79 HA LYS 79 6.723 -10.681 6.623
631 HB2 LYS 79 HB2 LYS 79 6.530 -9.685 3.764
632 HB3 LYS 79 HB3 LYS 79 8.002 -9.674 4.735
633 HG2 LYS 79 HG2 LYS 79 7.790 -12.152 4.997
634 HG3 LYS 79 HG3 LYS 79 6.410 -12.114 3.901
635 HD2 LYS 79 HD2 LYS 79 7.873 -11.057 2.167
636 HD3 LYS 79 HD3 LYS 79 9.246 -11.263 3.255
637 HE2 LYS 79 HE2 LYS 79 7.865 -13.760 3.094
638 HE3 LYS 79 HE3 LYS 79 8.131 -13.175 1.451
639 HZ1 LYS 79 HZ1 LYS 79 9.979 -14.521 2.514
640 HZ2 LYS 79 HZ2 LYS 79 10.282 -13.157 3.481
641 HZ3 LYS 79 HZ3 LYS 79 10.422 -13.052 1.790
642 H MET 80 H MET 80 7.328 -8.850 7.741
643 HA MET 80 HA MET 80 5.912 -6.297 7.066
644 HB2 MET 80 HB2 MET 80 6.539 -7.414 9.817
645 HB3 MET 80 HB3 MET 80 5.849 -5.821 9.504
646 HG2 MET 80 HG2 MET 80 3.940 -6.946 8.325
647 HG3 MET 80 HG3 MET 80 4.602 -8.500 8.830
648 HE1 MET 80 HE1 MET 80 5.685 -7.533 12.020
649 HE2 MET 80 HE2 MET 80 5.376 -8.963 11.039
650 HE3 MET 80 HE3 MET 80 4.424 -8.680 12.494
651 H ALA 81 H ALA 81 7.151 -4.366 7.484
652 HA ALA 81 HA ALA 81 9.804 -4.452 8.603
653 HB1 ALA 81 HB1 ALA 81 9.506 -4.663 5.615
654 HB2 ALA 81 HB2 ALA 81 10.579 -5.566 6.686
655 HB3 ALA 81 HB3 ALA 81 10.914 -3.874 6.325
656 H PHE 82 H PHE 82 7.183 -2.789 8.215
657 HA PHE 82 HA PHE 82 8.504 -0.220 7.457
658 HB2 PHE 82 HB2 PHE 82 6.380 -0.818 6.250
659 HB3 PHE 82 HB3 PHE 82 5.538 -0.744 7.800
660 HD1 PHE 82 HD1 PHE 82 7.622 1.225 5.427
661 HD2 PHE 82 HD2 PHE 82 4.925 1.317 8.754
662 HE1 PHE 82 HE1 PHE 82 7.484 3.693 5.246
663 HE2 PHE 82 HE2 PHE 82 4.787 3.780 8.583
664 HZ PHE 82 HZ PHE 82 6.062 4.972 6.818
665 H GLY 83 H GLY 83 8.560 1.486 8.935
666 HA2 GLY 83 HA2 GLY 83 8.668 0.888 11.699
667 HA3 GLY 83 HA3 GLY 83 8.558 2.518 11.041
668 H GLY 84 H GLY 84 6.021 2.461 9.857
669 HA2 GLY 84 HA2 GLY 84 3.714 1.645 10.623
670 HA3 GLY 84 HA3 GLY 84 4.270 2.019 12.249
671 H LEU 85 H LEU 85 2.183 3.175 10.169
672 HA LEU 85 HA LEU 85 2.992 6.024 10.211
673 HB2 LEU 85 HB2 LEU 85 0.444 4.767 9.158
674 HB3 LEU 85 HB3 LEU 85 1.064 6.373 8.797
675 HG LEU 85 HG LEU 85 2.573 3.838 8.125
676 HD11 LEU 85 HD11 LEU 85 0.985 5.542 6.203
677 HD12 LEU 85 HD12 LEU 85 0.308 4.102 6.967
678 HD13 LEU 85 HD13 LEU 85 1.713 3.960 5.909
679 HD21 LEU 85 HD21 LEU 85 3.979 5.842 8.229
680 HD22 LEU 85 HD22 LEU 85 2.829 6.730 7.239
681 HD23 LEU 85 HD23 LEU 85 3.744 5.394 6.544
682 H LYS 86 H LYS 86 2.906 6.042 12.620
683 HA LYS 86 HA LYS 86 0.547 5.530 14.114
684 HB2 LYS 86 HB2 LYS 86 2.812 5.944 15.096
685 HB3 LYS 86 HB3 LYS 86 2.637 7.650 14.686
686 HG2 LYS 86 HG2 LYS 86 0.576 7.753 16.067
687 HG3 LYS 86 HG3 LYS 86 0.814 6.064 16.519
688 HD2 LYS 86 HD2 LYS 86 3.063 6.688 17.440
689 HD3 LYS 86 HD3 LYS 86 2.677 8.379 17.118
690 HE2 LYS 86 HE2 LYS 86 1.900 8.289 19.274
691 HE3 LYS 86 HE3 LYS 86 0.452 7.680 18.471
692 HZ1 LYS 86 HZ1 LYS 86 0.997 6.196 20.226
693 HZ2 LYS 86 HZ2 LYS 86 2.617 6.084 19.725
694 HZ3 LYS 86 HZ3 LYS 86 1.381 5.412 18.772
695 H LYS 87 H LYS 87 1.588 8.414 12.344
696 HA LYS 87 HA LYS 87 -0.743 9.943 13.268
697 HB2 LYS 87 HB2 LYS 87 1.373 10.551 11.181
698 HB3 LYS 87 HB3 LYS 87 0.119 11.680 11.694
699 HG2 LYS 87 HG2 LYS 87 0.955 11.480 14.040
700 HG3 LYS 87 HG3 LYS 87 2.272 10.464 13.449
701 HD2 LYS 87 HD2 LYS 87 2.975 12.326 11.938
702 HD3 LYS 87 HD3 LYS 87 1.726 13.340 12.661
703 HE2 LYS 87 HE2 LYS 87 3.408 13.938 14.085
704 HE3 LYS 87 HE3 LYS 87 2.968 12.437 14.901
705 HZ1 LYS 87 HZ1 LYS 87 5.133 11.981 14.584
706 HZ2 LYS 87 HZ2 LYS 87 5.294 13.054 13.276
707 HZ3 LYS 87 HZ3 LYS 87 4.618 11.514 13.037
708 H GLU 88 H GLU 88 -2.681 9.972 12.249
709 HA GLU 88 HA GLU 88 -3.251 8.233 10.048
710 HB2 GLU 88 HB2 GLU 88 -4.818 10.561 11.172
711 HB3 GLU 88 HB3 GLU 88 -5.453 9.407 10.004
712 HG2 GLU 88 HG2 GLU 88 -6.175 8.525 12.062
713 HG3 GLU 88 HG3 GLU 88 -4.713 7.600 11.720
714 H LYS 89 H LYS 89 -2.278 11.592 10.235
715 HA LYS 89 HA LYS 89 -3.107 12.513 7.708
716 HB2 LYS 89 HB2 LYS 89 -0.587 13.146 9.263
717 HB3 LYS 89 HB3 LYS 89 -1.159 14.068 7.876
718 HG2 LYS 89 HG2 LYS 89 -3.306 14.480 9.082
719 HG3 LYS 89 HG3 LYS 89 -2.634 13.660 10.491
720 HD2 LYS 89 HD2 LYS 89 -0.759 15.313 10.505
721 HD3 LYS 89 HD3 LYS 89 -1.551 16.172 9.184
722 HE2 LYS 89 HE2 LYS 89 -3.626 16.231 10.732
723 HE3 LYS 89 HE3 LYS 89 -2.500 15.819 12.025
724 HZ1 LYS 89 HZ1 LYS 89 -1.135 17.759 11.178
725 HZ2 LYS 89 HZ2 LYS 89 -2.575 18.138 11.996
726 HZ3 LYS 89 HZ3 LYS 89 -2.511 18.220 10.301
727 H ASP 90 H ASP 90 -0.114 10.761 8.572
728 HA ASP 90 HA ASP 90 0.982 10.789 5.924
729 HB2 ASP 90 HB2 ASP 90 1.360 8.767 8.158
730 HB3 ASP 90 HB3 ASP 90 2.369 8.900 6.719
731 H ARG 91 H ARG 91 -0.898 8.316 7.684
732 HA ARG 91 HA ARG 91 -1.079 6.444 5.560
733 HB2 ARG 91 HB2 ARG 91 -1.730 5.952 7.895
734 HB3 ARG 91 HB3 ARG 91 -3.120 7.025 7.723
735 HG2 ARG 91 HG2 ARG 91 -4.020 5.624 5.933
736 HG3 ARG 91 HG3 ARG 91 -2.602 4.581 6.014
737 HD2 ARG 91 HD2 ARG 91 -4.359 3.506 7.272
738 HD3 ARG 91 HD3 ARG 91 -3.181 4.123 8.430
739 HE ARG 91 HE ARG 91 -4.979 6.190 8.254
740 HH11 ARG 91 HH21 ARG 91 -5.227 2.782 8.713
741 HH12 ARG 91 HH22 ARG 91 -6.667 2.881 9.671
742 HH21 ARG 91 HH11 ARG 91 -6.858 6.339 9.501
743 HH22 ARG 91 HH12 ARG 91 -7.591 4.896 10.117
744 H ASN 92 H ASN 92 -3.316 9.089 6.439
745 HA ASN 92 HA ASN 92 -5.161 8.572 4.309
746 HB2 ASN 92 HB2 ASN 92 -4.569 11.089 5.881
747 HB3 ASN 92 HB3 ASN 92 -5.909 10.928 4.752
748 HD21 ASN 92 HD21 ASN 92 -6.624 11.443 7.360
749 HD22 ASN 92 HD22 ASN 92 -7.249 10.049 8.101
750 H ASP 93 H ASP 93 -2.377 10.757 4.573
751 HA ASP 93 HA ASP 93 -2.703 12.049 2.061
752 HB2 ASP 93 HB2 ASP 93 -0.182 11.427 3.628
753 HB3 ASP 93 HB3 ASP 93 -0.252 12.522 2.246
754 H LEU 94 H LEU 94 -1.065 9.026 2.927
755 HA LEU 94 HA LEU 94 0.204 8.476 0.465
756 HB2 LEU 94 HB2 LEU 94 -0.687 6.932 2.794
757 HB3 LEU 94 HB3 LEU 94 -0.696 6.001 1.298
758 HG LEU 94 HG LEU 94 1.679 7.698 2.012
759 HD11 LEU 94 HD11 LEU 94 2.536 5.337 2.856
760 HD12 LEU 94 HD12 LEU 94 0.820 5.067 3.164
761 HD13 LEU 94 HD13 LEU 94 1.658 6.407 3.948
762 HD21 LEU 94 HD21 LEU 94 1.249 6.560 -0.270
763 HD22 LEU 94 HD22 LEU 94 1.560 5.044 0.576
764 HD23 LEU 94 HD23 LEU 94 2.816 6.280 0.491
765 H ILE 95 H ILE 95 -2.885 7.075 1.523
766 HA ILE 95 HA ILE 95 -3.640 6.027 -0.950
767 HB ILE 95 HB ILE 95 -5.444 7.131 1.209
768 HG12 ILE 95 HG12 ILE 95 -4.098 4.435 0.822
769 HG13 ILE 95 HG13 ILE 95 -3.790 5.588 2.119
770 HG21 ILE 95 HG21 ILE 95 -7.154 6.264 0.026
771 HG22 ILE 95 HG22 ILE 95 -6.299 4.736 -0.179
772 HG23 ILE 95 HG23 ILE 95 -6.032 6.054 -1.317
773 HD11 ILE 95 HD11 ILE 95 -5.401 4.579 3.325
774 HD12 ILE 95 HD12 ILE 95 -5.861 3.572 1.952
775 HD13 ILE 95 HD13 ILE 95 -6.575 5.172 2.151
776 H THR 96 H THR 96 -4.058 9.308 0.298
777 HA THR 96 HA THR 96 -5.842 10.282 -1.661
778 HB THR 96 HB THR 96 -3.503 11.829 -0.518
779 HG1 THR 96 HG1 THR 96 -4.838 12.207 1.248
780 HG21 THR 96 HG21 THR 96 -6.317 12.673 -1.225
781 HG22 THR 96 HG22 THR 96 -4.935 12.861 -2.302
782 HG23 THR 96 HG23 THR 96 -4.979 13.724 -0.764
783 H TYR 97 H TYR 97 -2.315 9.865 -1.729
784 HA TYR 97 HA TYR 97 -2.110 10.955 -4.437
785 HB2 TYR 97 HB2 TYR 97 -0.226 11.280 -2.959
786 HB3 TYR 97 HB3 TYR 97 -0.119 9.548 -2.645
787 HD1 TYR 97 HD2 TYR 97 0.290 12.167 -5.252
788 HD2 TYR 97 HD1 TYR 97 0.939 8.064 -4.175
789 HE1 TYR 97 HE2 TYR 97 1.756 11.879 -7.233
790 HE2 TYR 97 HE1 TYR 97 2.400 7.770 -6.152
791 HH TYR 97 HH TYR 97 3.657 8.991 -7.706
792 H LEU 98 H LEU 98 -1.733 7.729 -2.948
793 HA LEU 98 HA LEU 98 -1.211 6.257 -5.294
794 HB2 LEU 98 HB2 LEU 98 -2.947 5.396 -2.969
795 HB3 LEU 98 HB3 LEU 98 -2.144 4.324 -4.108
796 HG LEU 98 HG LEU 98 -0.677 6.282 -2.310
797 HD11 LEU 98 HD11 LEU 98 -1.763 4.557 -0.952
798 HD12 LEU 98 HD12 LEU 98 -0.032 4.237 -1.037
799 HD13 LEU 98 HD13 LEU 98 -1.152 3.298 -2.024
800 HD21 LEU 98 HD21 LEU 98 0.119 4.150 -4.280
801 HD22 LEU 98 HD22 LEU 98 1.191 4.595 -2.956
802 HD23 LEU 98 HD23 LEU 98 0.711 5.805 -4.142
803 H LYS 99 H LYS 99 -4.344 7.090 -3.831
804 HA LYS 99 HA LYS 99 -5.989 5.868 -5.799
805 HB2 LYS 99 HB2 LYS 99 -6.871 6.660 -3.660
806 HB3 LYS 99 HB3 LYS 99 -6.504 8.317 -4.107
807 HG2 LYS 99 HG2 LYS 99 -8.056 8.099 -6.055
808 HG3 LYS 99 HG3 LYS 99 -8.474 6.481 -5.493
809 HD2 LYS 99 HD2 LYS 99 -9.213 7.466 -3.325
810 HD3 LYS 99 HD3 LYS 99 -8.886 9.072 -3.974
811 HE2 LYS 99 HE2 LYS 99 -10.521 7.493 -5.797
812 HE3 LYS 99 HE3 LYS 99 -11.282 7.658 -4.215
813 HZ1 LYS 99 HZ1 LYS 99 -10.200 10.131 -4.852
814 HZ2 LYS 99 HZ2 LYS 99 -11.844 9.707 -4.777
815 HZ3 LYS 99 HZ3 LYS 99 -11.001 9.591 -6.247
816 H LYS 100 H LYS 100 -4.481 9.068 -5.664
817 HA LYS 100 HA LYS 100 -5.755 10.222 -7.927
818 HB2 LYS 100 HB2 LYS 100 -4.215 11.394 -6.298
819 HB3 LYS 100 HB3 LYS 100 -2.864 10.613 -7.108
820 HG2 LYS 100 HG2 LYS 100 -2.978 12.684 -8.203
821 HG3 LYS 100 HG3 LYS 100 -3.882 11.625 -9.284
822 HD2 LYS 100 HD2 LYS 100 -5.992 12.410 -8.405
823 HD3 LYS 100 HD3 LYS 100 -5.178 13.309 -7.124
824 HE2 LYS 100 HE2 LYS 100 -4.574 15.016 -8.524
825 HE3 LYS 100 HE3 LYS 100 -4.332 13.939 -9.899
826 HZ1 LYS 100 HZ1 LYS 100 -6.975 14.729 -8.799
827 HZ2 LYS 100 HZ2 LYS 100 -6.705 13.760 -10.169
828 HZ3 LYS 100 HZ3 LYS 100 -6.258 15.399 -10.183
829 H ALA 101 H ALA 101 -2.834 8.253 -7.661
830 HA ALA 101 HA ALA 101 -2.238 8.268 -10.489
831 HB1 ALA 101 HB1 ALA 101 -1.246 6.866 -8.076
832 HB2 ALA 101 HB2 ALA 101 -0.344 7.560 -9.424
833 HB3 ALA 101 HB3 ALA 101 -1.079 5.964 -9.583
834 H THR 102 H THR 102 -3.784 5.894 -8.326
835 HA THR 102 HA THR 102 -4.459 4.016 -10.376
836 HB THR 102 HB THR 102 -5.991 4.577 -7.816
837 HG1 THR 102 HG1 THR 102 -4.202 3.961 -6.928
838 HG21 THR 102 HG21 THR 102 -6.947 3.054 -9.674
839 HG22 THR 102 HG22 THR 102 -6.866 2.396 -8.040
840 HG23 THR 102 HG23 THR 102 -5.652 1.940 -9.237
841 H GLU 103 H GLU 103 -5.926 6.990 -9.235
842 HA GLU 103 HA GLU 103 -8.429 6.594 -10.682
843 HB2 GLU 103 HB2 GLU 103 -8.217 8.058 -8.659
844 HB3 GLU 103 HB3 GLU 103 -7.237 9.170 -9.616
845 HG2 GLU 103 HG2 GLU 103 -9.129 9.389 -11.229
846 HG3 GLU 103 HG3 GLU 103 -10.107 8.367 -10.176
847 HHA HEC 104 HA HEC 104 2.304 -6.179 1.081
848 HHB HEC 104 HB HEC 104 1.320 0.087 1.102
849 HHC HEC 104 HC HEC 104 7.434 1.023 2.415
850 HHD HEC 104 HD HEC 104 8.436 -5.210 2.173
851 HMA1 HEC 104 1HMA HEC 104 -0.645 -0.889 1.079
852 HMA2 HEC 104 2HMA HEC 104 -1.425 -2.435 0.803
853 HMA3 HEC 104 3HMA HEC 104 -0.598 -1.621 -0.523
854 HAA1 HEC 104 1HAA HEC 104 0.221 -5.883 0.825
855 HAA2 HEC 104 2HAA HEC 104 -0.738 -4.856 1.866
856 HBA1 HEC 104 1HBA HEC 104 -0.893 -3.910 -0.857
857 HBA2 HEC 104 2HBA HEC 104 -2.190 -4.479 0.194
858 HMB1 HEC 104 1HMB HEC 104 1.961 2.397 2.647
859 HMB2 HEC 104 2HMB HEC 104 2.879 3.466 1.589
860 HMB3 HEC 104 3HMB HEC 104 1.748 2.304 0.898
861 HAB HEC 104 HAB HEC 104 6.588 2.918 1.954
862 HBB1 HEC 104 1HBB HEC 104 4.759 4.889 2.613
863 HBB2 HEC 104 2HBB HEC 104 5.816 4.039 3.737
864 HBB3 HEC 104 3HBB HEC 104 4.172 3.464 3.473
865 HMC1 HEC 104 1HMC HEC 104 9.369 0.241 3.885
866 HMC2 HEC 104 2HMC HEC 104 10.713 -0.678 3.208
867 HMC3 HEC 104 3HMC HEC 104 9.897 0.541 2.229
868 HAC HEC 104 HAC HEC 104 10.299 -4.158 1.795
869 HBC1 HEC 104 1HBC HEC 104 11.282 -4.318 3.824
870 HBC2 HEC 104 2HBC HEC 104 12.132 -2.822 3.441
871 HBC3 HEC 104 3HBC HEC 104 10.610 -2.768 4.330
872 HMD1 HEC 104 1HMD HEC 104 8.140 -7.409 1.625
873 HMD2 HEC 104 2HMD HEC 104 6.857 -8.603 1.788
874 HMD3 HEC 104 3HMD HEC 104 7.327 -7.625 3.175
875 HAD1 HEC 104 1HAD HEC 104 4.962 -8.762 0.639
876 HAD2 HEC 104 2HAD HEC 104 3.473 -7.908 0.341
877 HBD1 HEC 104 1HBD HEC 104 3.148 -8.043 2.916
878 HBD2 HEC 104 2HBD HEC 104 4.359 -9.322 2.828
Start of MODEL 3
1 H1 THR -5 H1 THR -5 -18.533 3.206 3.411
2 H2 THR -5 H2 THR -5 -18.270 4.883 3.362
3 H3 THR -5 H3 THR -5 -17.387 3.912 4.441
4 HA THR -5 HA THR -5 -16.065 3.011 2.793
5 HB THR -5 HB THR -5 -17.910 2.355 1.307
6 HG1 THR -5 HG1 THR -5 -15.643 2.771 0.561
7 HG21 THR -5 HG21 THR -5 -19.401 3.853 0.546
8 HG22 THR -5 HG22 THR -5 -18.122 4.795 -0.221
9 HG23 THR -5 HG23 THR -5 -18.553 5.097 1.464
10 H GLU -4 H GLU -4 -16.632 5.810 3.972
11 HA GLU -4 HA GLU -4 -15.076 7.404 1.979
12 HB2 GLU -4 HB2 GLU -4 -16.733 8.325 4.349
13 HB3 GLU -4 HB3 GLU -4 -15.883 9.383 3.222
14 HG2 GLU -4 HG2 GLU -4 -17.230 8.438 1.357
15 HG3 GLU -4 HG3 GLU -4 -18.121 7.459 2.524
16 H PHE -3 H PHE -3 -13.244 8.615 2.756
17 HA PHE -3 HA PHE -3 -12.264 7.862 5.461
18 HB2 PHE -3 HB2 PHE -3 -10.036 7.394 4.571
19 HB3 PHE -3 HB3 PHE -3 -11.218 6.357 3.771
20 HD1 PHE -3 HD1 PHE -3 -11.999 6.889 1.464
21 HD2 PHE -3 HD2 PHE -3 -8.841 9.094 3.362
22 HE1 PHE -3 HE1 PHE -3 -11.314 7.803 -0.738
23 HE2 PHE -3 HE2 PHE -3 -8.156 10.010 1.162
24 HZ PHE -3 HZ PHE -3 -9.394 9.364 -0.888
25 H LYS -2 H LYS -2 -10.486 9.341 6.190
26 HA LYS -2 HA LYS -2 -11.105 12.095 5.370
27 HB2 LYS -2 HB2 LYS -2 -9.109 11.113 7.429
28 HB3 LYS -2 HB3 LYS -2 -9.733 12.754 7.268
29 HG2 LYS -2 HG2 LYS -2 -11.455 10.329 7.852
30 HG3 LYS -2 HG3 LYS -2 -10.857 11.439 9.084
31 HD2 LYS -2 HD2 LYS -2 -11.967 13.305 7.700
32 HD3 LYS -2 HD3 LYS -2 -12.804 12.008 6.846
33 HE2 LYS -2 HE2 LYS -2 -13.778 11.196 8.917
34 HE3 LYS -2 HE3 LYS -2 -12.846 12.365 9.854
35 HZ1 LYS -2 HZ1 LYS -2 -14.378 13.560 7.740
36 HZ2 LYS -2 HZ2 LYS -2 -14.277 13.986 9.381
37 HZ3 LYS -2 HZ3 LYS -2 -15.343 12.761 8.882
38 H ALA -1 H ALA -1 -9.727 13.434 4.229
39 HA ALA -1 HA ALA -1 -7.219 12.178 3.210
40 HB1 ALA -1 HB1 ALA -1 -7.615 13.108 1.149
41 HB2 ALA -1 HB2 ALA -1 -8.401 14.532 1.830
42 HB3 ALA -1 HB3 ALA -1 -9.286 13.013 1.705
43 H GLY 1 H GLY 1 -6.531 14.893 2.083
44 HA2 GLY 1 HA2 GLY 1 -6.271 16.881 4.045
45 HA3 GLY 1 HA3 GLY 1 -4.900 15.796 4.281
46 H SER 2 H SER 2 -3.611 15.319 2.238
47 HA SER 2 HA SER 2 -3.789 17.337 0.119
48 HB2 SER 2 HB2 SER 2 -2.449 18.314 2.098
49 HB3 SER 2 HB3 SER 2 -1.217 17.135 1.668
50 HG SER 2 HG SER 2 -2.077 19.413 0.335
51 H ALA 3 H ALA 3 -3.483 16.133 -1.686
52 HA ALA 3 HA ALA 3 -2.349 13.494 -1.625
53 HB1 ALA 3 HB1 ALA 3 -2.478 15.071 -4.167
54 HB2 ALA 3 HB2 ALA 3 -3.985 14.672 -3.339
55 HB3 ALA 3 HB3 ALA 3 -2.903 13.384 -3.874
56 H LYS 4 H LYS 4 -1.011 16.667 -2.407
57 HA LYS 4 HA LYS 4 1.408 15.774 -3.619
58 HB2 LYS 4 HB2 LYS 4 2.311 18.014 -2.845
59 HB3 LYS 4 HB3 LYS 4 0.821 18.095 -3.783
60 HG2 LYS 4 HG2 LYS 4 0.081 17.754 -1.055
61 HG3 LYS 4 HG3 LYS 4 1.297 19.027 -1.109
62 HD2 LYS 4 HD2 LYS 4 -0.777 20.142 -1.429
63 HD3 LYS 4 HD3 LYS 4 -0.072 20.030 -3.042
64 HE2 LYS 4 HE2 LYS 4 -1.453 18.105 -3.573
65 HE3 LYS 4 HE3 LYS 4 -2.056 18.030 -1.916
66 HZ1 LYS 4 HZ1 LYS 4 -3.335 19.280 -3.867
67 HZ2 LYS 4 HZ2 LYS 4 -2.384 20.568 -3.298
68 HZ3 LYS 4 HZ3 LYS 4 -3.441 19.757 -2.243
69 H LYS 5 H LYS 5 0.603 16.354 -0.190
70 HA LYS 5 HA LYS 5 3.221 15.891 0.832
71 HB2 LYS 5 HB2 LYS 5 0.506 15.463 2.080
72 HB3 LYS 5 HB3 LYS 5 2.023 15.383 2.969
73 HG2 LYS 5 HG2 LYS 5 2.535 17.710 2.243
74 HG3 LYS 5 HG3 LYS 5 0.958 17.785 1.458
75 HD2 LYS 5 HD2 LYS 5 -0.112 17.293 3.664
76 HD3 LYS 5 HD3 LYS 5 1.482 17.371 4.416
77 HE2 LYS 5 HE2 LYS 5 0.608 19.545 4.720
78 HE3 LYS 5 HE3 LYS 5 1.667 19.706 3.318
79 HZ1 LYS 5 HZ1 LYS 5 -0.528 19.073 2.063
80 HZ2 LYS 5 HZ2 LYS 5 -0.212 20.679 2.521
81 HZ3 LYS 5 HZ3 LYS 5 -1.258 19.717 3.453
82 H GLY 6 H GLY 6 0.552 13.690 0.081
83 HA2 GLY 6 HA2 GLY 6 1.641 11.332 1.234
84 HA3 GLY 6 HA3 GLY 6 0.533 11.352 -0.137
85 H ALA 7 H ALA 7 2.211 12.857 -1.913
86 HA ALA 7 HA ALA 7 3.776 10.744 -3.034
87 HB1 ALA 7 HB1 ALA 7 3.380 12.232 -4.714
88 HB2 ALA 7 HB2 ALA 7 4.861 13.000 -4.144
89 HB3 ALA 7 HB3 ALA 7 3.293 13.601 -3.606
90 H THR 8 H THR 8 4.616 13.505 -0.976
91 HA THR 8 HA THR 8 7.438 13.198 -1.078
92 HB THR 8 HB THR 8 5.789 14.155 1.263
93 HG1 THR 8 HG1 THR 8 5.282 15.761 0.039
94 HG21 THR 8 HG21 THR 8 8.125 13.840 1.807
95 HG22 THR 8 HG22 THR 8 7.815 15.569 1.643
96 HG23 THR 8 HG23 THR 8 8.616 14.688 0.342
97 H LEU 9 H LEU 9 5.006 11.803 1.115
98 HA LEU 9 HA LEU 9 6.899 10.380 2.736
99 HB2 LEU 9 HB2 LEU 9 4.514 10.888 3.367
100 HB3 LEU 9 HB3 LEU 9 4.008 9.658 2.209
101 HG LEU 9 HG LEU 9 5.453 8.003 3.427
102 HD11 LEU 9 HD11 LEU 9 7.044 9.149 4.651
103 HD12 LEU 9 HD12 LEU 9 5.833 8.908 5.909
104 HD13 LEU 9 HD13 LEU 9 5.937 10.454 5.069
105 HD21 LEU 9 HD21 LEU 9 3.109 7.960 3.905
106 HD22 LEU 9 HD22 LEU 9 3.212 9.429 4.875
107 HD23 LEU 9 HD23 LEU 9 3.921 7.927 5.470
108 H PHE 10 H PHE 10 4.981 9.461 -0.107
109 HA PHE 10 HA PHE 10 5.746 6.718 -0.149
110 HB2 PHE 10 HB2 PHE 10 3.897 7.477 -1.519
111 HB3 PHE 10 HB3 PHE 10 4.963 8.562 -2.419
112 HD1 PHE 10 HD2 PHE 10 6.794 7.622 -3.843
113 HD2 PHE 10 HD1 PHE 10 3.802 5.128 -2.030
114 HE1 PHE 10 HE2 PHE 10 7.404 5.775 -5.382
115 HE2 PHE 10 HE1 PHE 10 4.416 3.279 -3.568
116 HZ PHE 10 HZ PHE 10 6.218 3.607 -5.242
117 H LYS 11 H LYS 11 7.135 9.493 -1.926
118 HA LYS 11 HA LYS 11 9.197 7.928 -3.129
119 HB2 LYS 11 HB2 LYS 11 10.146 10.021 -3.837
120 HB3 LYS 11 HB3 LYS 11 8.395 10.172 -3.934
121 HG2 LYS 11 HG2 LYS 11 8.421 11.231 -1.665
122 HG3 LYS 11 HG3 LYS 11 10.183 11.206 -1.718
123 HD2 LYS 11 HD2 LYS 11 10.000 12.476 -3.926
124 HD3 LYS 11 HD3 LYS 11 8.298 12.721 -3.533
125 HE2 LYS 11 HE2 LYS 11 8.910 14.498 -2.292
126 HE3 LYS 11 HE3 LYS 11 9.715 13.382 -1.189
127 HZ1 LYS 11 HZ1 LYS 11 11.148 15.178 -2.148
128 HZ2 LYS 11 HZ2 LYS 11 10.991 14.411 -3.657
129 HZ3 LYS 11 HZ3 LYS 11 11.733 13.600 -2.361
130 H THR 12 H THR 12 8.898 9.303 0.038
131 HA THR 12 HA THR 12 11.815 9.041 0.490
132 HB THR 12 HB THR 12 11.217 10.039 2.740
133 HG1 THR 12 HG1 THR 12 8.953 9.344 2.442
134 HG21 THR 12 HG21 THR 12 11.933 11.308 0.601
135 HG22 THR 12 HG22 THR 12 11.182 12.239 1.897
136 HG23 THR 12 HG23 THR 12 10.237 11.776 0.485
137 H ARG 13 H ARG 13 9.270 6.924 0.574
138 HA ARG 13 HA ARG 13 10.681 5.323 2.633
139 HB2 ARG 13 HB2 ARG 13 7.735 5.990 2.769
140 HB3 ARG 13 HB3 ARG 13 8.530 4.767 3.757
141 HG2 ARG 13 HG2 ARG 13 10.095 6.547 4.591
142 HG3 ARG 13 HG3 ARG 13 9.129 7.737 3.718
143 HD2 ARG 13 HD2 ARG 13 7.113 6.897 5.002
144 HD3 ARG 13 HD3 ARG 13 8.225 5.950 5.989
145 HE ARG 13 HE ARG 13 8.874 8.808 5.825
146 HH11 ARG 13 HH21 ARG 13 7.224 6.244 7.432
147 HH12 ARG 13 HH22 ARG 13 7.135 7.074 8.950
148 HH21 ARG 13 HH11 ARG 13 8.768 9.906 7.799
149 HH22 ARG 13 HH12 ARG 13 8.010 9.147 9.158
150 H CYS 14 H CYS 14 7.604 5.090 0.771
151 HA CYS 14 HA CYS 14 7.853 2.253 0.464
152 HB2 CYS 14 HB2 CYS 14 6.340 3.841 -1.550
153 HB3 CYS 14 HB3 CYS 14 5.893 2.339 -0.751
154 H LEU 15 H LEU 15 9.075 4.905 -1.501
155 HA LEU 15 HA LEU 15 9.570 3.517 -3.906
156 HB2 LEU 15 HB2 LEU 15 9.942 5.925 -3.654
157 HB3 LEU 15 HB3 LEU 15 11.318 5.616 -2.597
158 HG LEU 15 HG LEU 15 12.409 4.363 -4.471
159 HD11 LEU 15 HD11 LEU 15 10.922 3.631 -6.036
160 HD12 LEU 15 HD12 LEU 15 11.163 5.228 -6.745
161 HD13 LEU 15 HD13 LEU 15 9.777 4.929 -5.696
162 HD21 LEU 15 HD21 LEU 15 11.690 7.253 -4.571
163 HD22 LEU 15 HD22 LEU 15 12.458 6.572 -6.005
164 HD23 LEU 15 HD23 LEU 15 13.276 6.494 -4.444
165 H GLN 16 H GLN 16 11.379 3.466 -0.873
166 HA GLN 16 HA GLN 16 13.737 2.207 -1.772
167 HB2 GLN 16 HB2 GLN 16 12.272 1.806 0.852
168 HB3 GLN 16 HB3 GLN 16 13.949 1.353 0.545
169 HG2 GLN 16 HG2 GLN 16 12.830 4.165 0.342
170 HG3 GLN 16 HG3 GLN 16 13.805 3.550 1.677
171 HE21 GLN 16 HE21 GLN 16 14.183 5.519 -0.862
172 HE22 GLN 16 HE22 GLN 16 15.762 5.127 -1.348
173 H CYS 17 H CYS 17 10.575 0.770 -0.995
174 HA CYS 17 HA CYS 17 11.670 -1.864 -1.903
175 HB2 CYS 17 HB2 CYS 17 9.312 -1.263 -0.113
176 HB3 CYS 17 HB3 CYS 17 9.795 -2.875 -0.632
177 H HIS 18 H HIS 18 8.743 0.181 -2.065
178 HA HIS 18 HA HIS 18 7.752 -1.457 -4.328
179 HB2 HIS 18 HB2 HIS 18 6.537 0.959 -2.957
180 HB3 HIS 18 HB3 HIS 18 5.749 -0.009 -4.199
181 HD1 HIS 18 HD1 HIS 18 5.492 -2.676 -3.516
182 HD2 HIS 18 HD2 HIS 18 6.114 0.026 -0.403
183 HE1 HIS 18 HE1 HIS 18 4.684 -3.818 -1.395
184 H THR 19 H THR 19 7.752 -0.747 -6.444
185 HA THR 19 HA THR 19 9.038 1.902 -6.956
186 HB THR 19 HB THR 19 8.693 -0.288 -8.981
187 HG1 THR 19 HG1 THR 19 11.086 0.015 -7.585
188 HG21 THR 19 HG21 THR 19 11.104 1.374 -8.976
189 HG22 THR 19 HG22 THR 19 9.617 2.311 -9.130
190 HG23 THR 19 HG23 THR 19 9.978 1.032 -10.291
191 H VAL 20 H VAL 20 6.096 0.242 -7.064
192 HA VAL 20 HA VAL 20 4.042 0.690 -8.097
193 HB VAL 20 HB VAL 20 5.263 3.447 -7.864
194 HG11 VAL 20 HG11 VAL 20 3.639 3.874 -9.474
195 HG12 VAL 20 HG12 VAL 20 2.680 4.020 -8.002
196 HG13 VAL 20 HG13 VAL 20 2.619 2.535 -8.949
197 HG21 VAL 20 HG21 VAL 20 3.937 3.597 -5.881
198 HG22 VAL 20 HG22 VAL 20 4.711 2.011 -5.823
199 HG23 VAL 20 HG23 VAL 20 3.020 2.151 -6.303
200 H GLU 21 H GLU 21 6.772 0.617 -9.769
201 HA GLU 21 HA GLU 21 5.751 1.830 -12.271
202 HB2 GLU 21 HB2 GLU 21 8.168 2.052 -11.622
203 HB3 GLU 21 HB3 GLU 21 8.328 0.303 -11.789
204 HG2 GLU 21 HG2 GLU 21 7.558 0.494 -14.154
205 HG3 GLU 21 HG3 GLU 21 7.526 2.247 -13.973
206 H LYS 22 H LYS 22 5.013 0.581 -14.005
207 HA LYS 22 HA LYS 22 3.978 -2.017 -13.459
208 HB2 LYS 22 HB2 LYS 22 3.185 -0.462 -15.281
209 HB3 LYS 22 HB3 LYS 22 4.634 -0.886 -16.194
210 HG2 LYS 22 HG2 LYS 22 3.969 -3.278 -16.099
211 HG3 LYS 22 HG3 LYS 22 2.492 -2.815 -15.253
212 HD2 LYS 22 HD2 LYS 22 1.901 -1.350 -17.199
213 HD3 LYS 22 HD3 LYS 22 3.308 -1.986 -18.051
214 HE2 LYS 22 HE2 LYS 22 1.210 -3.822 -16.896
215 HE3 LYS 22 HE3 LYS 22 1.035 -3.125 -18.507
216 HZ1 LYS 22 HZ1 LYS 22 2.119 -5.322 -18.507
217 HZ2 LYS 22 HZ2 LYS 22 3.396 -4.675 -17.592
218 HZ3 LYS 22 HZ3 LYS 22 3.102 -4.106 -19.165
219 H GLY 23 H GLY 23 5.096 -3.883 -13.245
220 HA2 GLY 23 HA2 GLY 23 6.674 -5.571 -13.735
221 HA3 GLY 23 HA3 GLY 23 7.183 -4.623 -15.133
222 H GLY 24 H GLY 24 7.099 -3.510 -11.775
223 HA2 GLY 24 HA2 GLY 24 9.674 -2.319 -11.899
224 HA3 GLY 24 HA3 GLY 24 8.823 -2.701 -10.403
225 HA PRO 25 HA PRO 25 12.509 -5.650 -11.414
226 HB2 PRO 25 HB2 PRO 25 14.383 -4.529 -9.734
227 HB3 PRO 25 HB3 PRO 25 14.254 -4.174 -11.468
228 HG2 PRO 25 HG2 PRO 25 13.298 -2.599 -9.136
229 HG3 PRO 25 HG3 PRO 25 14.000 -2.046 -10.666
230 HD2 PRO 25 HD2 PRO 25 11.319 -1.948 -10.155
231 HD3 PRO 25 HD3 PRO 25 11.981 -2.159 -11.791
232 H HIS 26 H HIS 26 10.975 -4.375 -8.563
233 HA HIS 26 HA HIS 26 10.559 -5.347 -6.461
234 HB2 HIS 26 HB2 HIS 26 11.251 -7.933 -7.892
235 HB3 HIS 26 HB3 HIS 26 10.314 -7.772 -6.418
236 HD1 HIS 26 HD1 HIS 26 8.066 -6.142 -6.764
237 HD2 HIS 26 HD2 HIS 26 9.673 -8.038 -10.101
238 HE1 HIS 26 HE1 HIS 26 6.235 -6.172 -8.522
239 HE2 HIS 26 HE2 HIS 26 7.212 -7.308 -10.569
240 H LYS 27 H LYS 27 13.118 -4.275 -6.732
241 HA LYS 27 HA LYS 27 15.299 -6.004 -6.261
242 HB2 LYS 27 HB2 LYS 27 15.485 -3.556 -6.690
243 HB3 LYS 27 HB3 LYS 27 14.879 -3.251 -5.062
244 HG2 LYS 27 HG2 LYS 27 16.783 -4.551 -4.134
245 HG3 LYS 27 HG3 LYS 27 17.407 -4.769 -5.770
246 HD2 LYS 27 HD2 LYS 27 17.493 -2.276 -6.012
247 HD3 LYS 27 HD3 LYS 27 17.025 -2.136 -4.317
248 HE2 LYS 27 HE2 LYS 27 19.041 -3.655 -3.813
249 HE3 LYS 27 HE3 LYS 27 19.560 -3.312 -5.463
250 HZ1 LYS 27 HZ1 LYS 27 18.935 -1.230 -3.440
251 HZ2 LYS 27 HZ2 LYS 27 19.602 -0.987 -4.984
252 HZ3 LYS 27 HZ3 LYS 27 20.501 -1.784 -3.783
253 H VAL 28 H VAL 28 13.169 -4.439 -3.835
254 HA VAL 28 HA VAL 28 14.386 -6.181 -1.759
255 HB VAL 28 HB VAL 28 12.344 -3.983 -1.412
256 HG11 VAL 28 HG11 VAL 28 12.347 -5.354 0.519
257 HG12 VAL 28 HG12 VAL 28 13.435 -4.027 0.925
258 HG13 VAL 28 HG13 VAL 28 14.093 -5.591 0.446
259 HG21 VAL 28 HG21 VAL 28 14.089 -2.671 -2.101
260 HG22 VAL 28 HG22 VAL 28 15.285 -3.932 -1.796
261 HG23 VAL 28 HG23 VAL 28 14.672 -2.956 -0.460
262 H GLY 29 H GLY 29 11.047 -5.035 -2.172
263 HA2 GLY 29 HA2 GLY 29 10.137 -7.877 -1.928
264 HA3 GLY 29 HA3 GLY 29 9.305 -6.545 -1.124
265 HA PRO 30 HA PRO 30 7.573 -7.565 -5.479
266 HB2 PRO 30 HB2 PRO 30 5.062 -7.397 -3.918
267 HB3 PRO 30 HB3 PRO 30 5.557 -8.592 -5.126
268 HG2 PRO 30 HG2 PRO 30 5.484 -9.050 -2.437
269 HG3 PRO 30 HG3 PRO 30 6.495 -9.936 -3.582
270 HD2 PRO 30 HD2 PRO 30 7.299 -7.990 -1.534
271 HD3 PRO 30 HD3 PRO 30 8.297 -9.160 -2.422
272 H ASN 31 H ASN 31 6.687 -5.888 -6.761
273 HA ASN 31 HA ASN 31 6.544 -3.271 -5.403
274 HB2 ASN 31 HB2 ASN 31 6.372 -3.912 -8.362
275 HB3 ASN 31 HB3 ASN 31 6.628 -2.323 -7.639
276 HD21 ASN 31 HD21 ASN 31 8.413 -3.378 -5.498
277 HD22 ASN 31 HD22 ASN 31 9.886 -3.740 -6.263
278 H LEU 32 H LEU 32 4.684 -2.216 -5.026
279 HA LEU 32 HA LEU 32 2.149 -3.570 -5.723
280 HB2 LEU 32 HB2 LEU 32 2.746 -2.752 -3.378
281 HB3 LEU 32 HB3 LEU 32 2.558 -1.117 -4.001
282 HG LEU 32 HG LEU 32 0.257 -1.761 -4.776
283 HD11 LEU 32 HD11 LEU 32 1.120 -4.294 -3.435
284 HD12 LEU 32 HD12 LEU 32 0.102 -4.067 -4.853
285 HD13 LEU 32 HD13 LEU 32 -0.559 -3.797 -3.245
286 HD21 LEU 32 HD21 LEU 32 -0.728 -1.593 -2.512
287 HD22 LEU 32 HD22 LEU 32 0.631 -0.485 -2.702
288 HD23 LEU 32 HD23 LEU 32 0.840 -1.992 -1.808
289 H HIS 33 H HIS 33 0.762 -2.765 -7.289
290 HA HIS 33 HA HIS 33 0.542 0.043 -7.885
291 HB2 HIS 33 HB2 HIS 33 2.205 0.324 -9.369
292 HB3 HIS 33 HB3 HIS 33 2.665 -1.373 -9.222
293 HD1 HIS 33 HD1 HIS 33 1.503 -3.069 -10.879
294 HD2 HIS 33 HD2 HIS 33 0.699 0.948 -11.666
295 HE1 HIS 33 HE1 HIS 33 0.501 -2.980 -13.205
296 HE2 HIS 33 HE2 HIS 33 0.009 -0.540 -13.694
297 H GLY 34 H GLY 34 -1.539 0.221 -8.490
298 HA2 GLY 34 HA2 GLY 34 -3.505 -0.131 -9.723
299 HA3 GLY 34 HA3 GLY 34 -2.616 -1.282 -10.714
300 H ILE 35 H ILE 35 -2.752 -1.727 -7.228
301 HA ILE 35 HA ILE 35 -4.295 -4.201 -7.740
302 HB ILE 35 HB ILE 35 -3.624 -4.873 -5.482
303 HG12 ILE 35 HG12 ILE 35 -1.732 -2.742 -4.984
304 HG13 ILE 35 HG13 ILE 35 -3.355 -2.089 -5.083
305 HG21 ILE 35 HG21 ILE 35 -1.145 -3.723 -6.726
306 HG22 ILE 35 HG22 ILE 35 -2.078 -4.935 -7.605
307 HG23 ILE 35 HG23 ILE 35 -1.403 -5.320 -6.024
308 HD11 ILE 35 HD11 ILE 35 -4.144 -3.509 -3.344
309 HD12 ILE 35 HD12 ILE 35 -2.594 -2.890 -2.774
310 HD13 ILE 35 HD13 ILE 35 -2.706 -4.527 -3.423
311 H PHE 36 H PHE 36 -4.778 -1.040 -6.588
312 HA PHE 36 HA PHE 36 -6.623 -1.262 -4.526
313 HB2 PHE 36 HB2 PHE 36 -6.412 0.617 -6.857
314 HB3 PHE 36 HB3 PHE 36 -7.793 0.736 -5.768
315 HD1 PHE 36 HD2 PHE 36 -4.032 0.471 -5.666
316 HD2 PHE 36 HD1 PHE 36 -7.601 2.005 -3.821
317 HE1 PHE 36 HE2 PHE 36 -2.658 1.703 -4.015
318 HE2 PHE 36 HE1 PHE 36 -6.222 3.243 -2.181
319 HZ PHE 36 HZ PHE 36 -3.752 3.084 -2.271
320 H GLY 37 H GLY 37 -7.046 -2.182 -7.877
321 HA2 GLY 37 HA2 GLY 37 -9.902 -2.866 -7.289
322 HA3 GLY 37 HA3 GLY 37 -9.279 -2.534 -8.907
323 H ARG 38 H ARG 38 -7.460 -4.483 -6.616
324 HA ARG 38 HA ARG 38 -8.251 -6.941 -8.123
325 HB2 ARG 38 HB2 ARG 38 -5.427 -6.114 -7.400
326 HB3 ARG 38 HB3 ARG 38 -5.880 -7.660 -8.109
327 HG2 ARG 38 HG2 ARG 38 -6.639 -5.075 -9.452
328 HG3 ARG 38 HG3 ARG 38 -5.044 -5.786 -9.699
329 HD2 ARG 38 HD2 ARG 38 -6.192 -7.940 -10.350
330 HD3 ARG 38 HD3 ARG 38 -7.726 -7.067 -10.305
331 HE ARG 38 HE ARG 38 -5.951 -5.604 -11.970
332 HH11 ARG 38 HH21 ARG 38 -7.594 -8.631 -11.782
333 HH12 ARG 38 HH22 ARG 38 -7.732 -8.813 -13.499
334 HH21 ARG 38 HH11 ARG 38 -6.121 -5.826 -14.213
335 HH22 ARG 38 HH12 ARG 38 -6.898 -7.224 -14.875
336 H HIS 39 H HIS 39 -7.402 -8.939 -6.947
337 HA HIS 39 HA HIS 39 -8.053 -8.643 -4.085
338 HB2 HIS 39 HB2 HIS 39 -7.751 -11.002 -5.936
339 HB3 HIS 39 HB3 HIS 39 -7.834 -11.206 -4.190
340 HD1 HIS 39 HD1 HIS 39 -9.837 -9.441 -6.906
341 HD2 HIS 39 HD2 HIS 39 -10.429 -11.379 -3.267
342 HE1 HIS 39 HE1 HIS 39 -12.341 -9.531 -6.550
343 HE2 HIS 39 HE2 HIS 39 -12.715 -10.704 -4.329
344 H SER 40 H SER 40 -6.603 -9.237 -2.425
345 HA SER 40 HA SER 40 -3.891 -8.610 -2.797
346 HB2 SER 40 HB2 SER 40 -5.421 -10.075 -0.696
347 HB3 SER 40 HB3 SER 40 -3.669 -10.184 -0.663
348 HG SER 40 HG SER 40 -5.128 -8.248 0.258
349 H GLY 41 H GLY 41 -2.111 -9.773 -3.363
350 HA2 GLY 41 HA2 GLY 41 -0.884 -11.877 -3.583
351 HA3 GLY 41 HA3 GLY 41 -2.424 -12.703 -3.791
352 H GLN 42 H GLN 42 -3.068 -10.207 -5.622
353 HA GLN 42 HA GLN 42 -1.929 -11.517 -8.044
354 HB2 GLN 42 HB2 GLN 42 -4.226 -9.559 -7.736
355 HB3 GLN 42 HB3 GLN 42 -3.692 -10.261 -9.265
356 HG2 GLN 42 HG2 GLN 42 -4.141 -12.516 -8.416
357 HG3 GLN 42 HG3 GLN 42 -4.628 -11.847 -6.859
358 HE21 GLN 42 HE21 GLN 42 -6.462 -13.399 -8.407
359 HE22 GLN 42 HE22 GLN 42 -7.704 -12.380 -8.957
360 H ALA 43 H ALA 43 -0.156 -10.575 -8.880
361 HA ALA 43 HA ALA 43 -0.032 -7.614 -8.984
362 HB1 ALA 43 HB1 ALA 43 1.501 -7.597 -7.318
363 HB2 ALA 43 HB2 ALA 43 2.602 -8.335 -8.481
364 HB3 ALA 43 HB3 ALA 43 1.685 -9.350 -7.370
365 H GLU 44 H GLU 44 0.857 -6.892 -10.888
366 HA GLU 44 HA GLU 44 1.331 -8.828 -13.003
367 HB2 GLU 44 HB2 GLU 44 1.669 -5.814 -12.922
368 HB3 GLU 44 HB3 GLU 44 1.817 -6.798 -14.379
369 HG2 GLU 44 HG2 GLU 44 -0.507 -7.611 -14.038
370 HG3 GLU 44 HG3 GLU 44 -0.651 -6.558 -12.630
371 H GLY 45 H GLY 45 3.318 -6.675 -11.019
372 HA2 GLY 45 HA2 GLY 45 5.780 -7.215 -12.426
373 HA3 GLY 45 HA3 GLY 45 5.652 -6.517 -10.808
374 H TYR 46 H TYR 46 4.782 -8.258 -9.135
375 HA TYR 46 HA TYR 46 5.822 -10.944 -9.749
376 HB2 TYR 46 HB2 TYR 46 7.835 -10.056 -8.908
377 HB3 TYR 46 HB3 TYR 46 7.000 -9.093 -7.691
378 HD1 TYR 46 HD2 TYR 46 6.733 -12.716 -8.647
379 HD2 TYR 46 HD1 TYR 46 7.618 -9.848 -5.575
380 HE1 TYR 46 HE2 TYR 46 6.980 -14.554 -7.002
381 HE2 TYR 46 HE1 TYR 46 7.864 -11.685 -3.931
382 HH TYR 46 HH TYR 46 8.351 -14.077 -3.908
383 H SER 47 H SER 47 5.000 -12.575 -8.432
384 HA SER 47 HA SER 47 2.457 -11.994 -7.199
385 HB2 SER 47 HB2 SER 47 2.283 -14.319 -6.862
386 HB3 SER 47 HB3 SER 47 3.299 -14.204 -8.294
387 HG SER 47 HG SER 47 5.065 -14.145 -6.580
388 H TYR 48 H TYR 48 1.958 -12.004 -4.995
389 HA TYR 48 HA TYR 48 3.989 -10.952 -3.241
390 HB2 TYR 48 HB2 TYR 48 1.187 -11.938 -2.662
391 HB3 TYR 48 HB3 TYR 48 2.195 -11.040 -1.531
392 HD1 TYR 48 HD2 TYR 48 0.640 -10.859 -4.917
393 HD2 TYR 48 HD1 TYR 48 2.360 -8.686 -1.637
394 HE1 TYR 48 HE2 TYR 48 -0.055 -8.726 -5.966
395 HE2 TYR 48 HE1 TYR 48 1.669 -6.550 -2.691
396 HH TYR 48 HH TYR 48 -0.015 -5.764 -4.305
397 H THR 49 H THR 49 3.686 -12.084 -0.807
398 HA THR 49 HA THR 49 5.284 -14.487 -1.001
399 HB THR 49 HB THR 49 3.870 -13.327 1.418
400 HG1 THR 49 HG1 THR 49 5.235 -11.803 0.575
401 HG21 THR 49 HG21 THR 49 6.309 -15.115 1.217
402 HG22 THR 49 HG22 THR 49 4.690 -15.679 1.630
403 HG23 THR 49 HG23 THR 49 5.532 -14.558 2.699
404 H ASP 50 H ASP 50 4.679 -16.627 -0.361
405 HA ASP 50 HA ASP 50 2.249 -17.618 -1.298
406 HB2 ASP 50 HB2 ASP 50 4.043 -18.682 0.900
407 HB3 ASP 50 HB3 ASP 50 2.711 -19.597 0.196
408 H ALA 51 H ALA 51 3.003 -16.464 1.995
409 HA ALA 51 HA ALA 51 0.503 -17.251 3.161
410 HB1 ALA 51 HB1 ALA 51 1.779 -14.727 4.092
411 HB2 ALA 51 HB2 ALA 51 2.762 -16.188 4.184
412 HB3 ALA 51 HB3 ALA 51 1.216 -16.111 5.028
413 H ASN 52 H ASN 52 1.569 -14.085 1.918
414 HA ASN 52 HA ASN 52 -0.945 -12.780 2.077
415 HB2 ASN 52 HB2 ASN 52 1.185 -11.601 1.657
416 HB3 ASN 52 HB3 ASN 52 1.304 -12.377 0.079
417 HD21 ASN 52 HD21 ASN 52 1.318 -9.797 -0.352
418 HD22 ASN 52 HD22 ASN 52 -0.212 -9.163 -0.742
419 H ILE 53 H ILE 53 0.528 -14.691 -0.534
420 HA ILE 53 HA ILE 53 -1.613 -14.325 -2.406
421 HB ILE 53 HB ILE 53 0.392 -16.570 -2.155
422 HG12 ILE 53 HG12 ILE 53 0.375 -14.167 -3.999
423 HG13 ILE 53 HG13 ILE 53 1.270 -14.214 -2.481
424 HG21 ILE 53 HG21 ILE 53 -1.509 -17.278 -3.504
425 HG22 ILE 53 HG22 ILE 53 -0.147 -16.935 -4.571
426 HG23 ILE 53 HG23 ILE 53 -1.461 -15.769 -4.416
427 HD11 ILE 53 HD11 ILE 53 1.617 -16.402 -4.521
428 HD12 ILE 53 HD12 ILE 53 2.724 -15.897 -3.245
429 HD13 ILE 53 HD13 ILE 53 2.508 -14.889 -4.675
430 H LYS 54 H LYS 54 -1.020 -16.737 0.132
431 HA LYS 54 HA LYS 54 -3.096 -18.548 -0.523
432 HB2 LYS 54 HB2 LYS 54 -1.425 -18.946 1.271
433 HB3 LYS 54 HB3 LYS 54 -2.203 -17.697 2.241
434 HG2 LYS 54 HG2 LYS 54 -4.319 -18.979 2.178
435 HG3 LYS 54 HG3 LYS 54 -3.509 -20.248 1.260
436 HD2 LYS 54 HD2 LYS 54 -1.872 -20.486 3.148
437 HD3 LYS 54 HD3 LYS 54 -2.842 -19.340 4.074
438 HE2 LYS 54 HE2 LYS 54 -4.824 -20.950 3.509
439 HE3 LYS 54 HE3 LYS 54 -3.550 -22.126 3.186
440 HZ1 LYS 54 HZ1 LYS 54 -2.966 -20.798 5.585
441 HZ2 LYS 54 HZ2 LYS 54 -3.325 -22.442 5.349
442 HZ3 LYS 54 HZ3 LYS 54 -4.574 -21.332 5.659
443 H LYS 55 H LYS 55 -3.156 -15.557 1.369
444 HA LYS 55 HA LYS 55 -6.121 -15.692 1.491
445 HB2 LYS 55 HB2 LYS 55 -4.077 -13.918 2.852
446 HB3 LYS 55 HB3 LYS 55 -5.816 -13.721 3.032
447 HG2 LYS 55 HG2 LYS 55 -5.956 -16.076 3.857
448 HG3 LYS 55 HG3 LYS 55 -4.196 -16.169 3.780
449 HD2 LYS 55 HD2 LYS 55 -4.065 -14.220 5.337
450 HD3 LYS 55 HD3 LYS 55 -5.823 -14.261 5.484
451 HE2 LYS 55 HE2 LYS 55 -4.944 -16.910 5.920
452 HE3 LYS 55 HE3 LYS 55 -3.860 -15.877 6.851
453 HZ1 LYS 55 HZ1 LYS 55 -5.830 -14.775 7.784
454 HZ2 LYS 55 HZ2 LYS 55 -5.775 -16.430 8.164
455 HZ3 LYS 55 HZ3 LYS 55 -6.827 -15.869 6.955
456 H ASN 56 H ASN 56 -7.187 -14.634 -0.124
457 HA ASN 56 HA ASN 56 -5.884 -12.212 -1.300
458 HB2 ASN 56 HB2 ASN 56 -6.563 -12.877 -3.488
459 HB3 ASN 56 HB3 ASN 56 -5.829 -14.295 -2.756
460 HD21 ASN 56 HD21 ASN 56 -7.919 -14.227 -4.899
461 HD22 ASN 56 HD22 ASN 56 -9.241 -15.093 -4.277
462 H VAL 57 H VAL 57 -7.127 -10.435 -1.058
463 HA VAL 57 HA VAL 57 -10.086 -10.773 -0.921
464 HB VAL 57 HB VAL 57 -8.367 -9.015 0.841
465 HG11 VAL 57 HG11 VAL 57 -10.227 -7.781 1.131
466 HG12 VAL 57 HG12 VAL 57 -11.023 -9.208 1.795
467 HG13 VAL 57 HG13 VAL 57 -11.145 -8.853 0.071
468 HG21 VAL 57 HG21 VAL 57 -9.775 -10.594 2.523
469 HG22 VAL 57 HG22 VAL 57 -8.181 -11.037 1.912
470 HG23 VAL 57 HG23 VAL 57 -9.632 -11.691 1.150
471 H LEU 58 H LEU 58 -11.242 -9.277 -2.102
472 HA LEU 58 HA LEU 58 -10.064 -7.697 -4.098
473 HB2 LEU 58 HB2 LEU 58 -12.481 -8.166 -4.027
474 HB3 LEU 58 HB3 LEU 58 -12.642 -7.126 -2.612
475 HG LEU 58 HG LEU 58 -11.748 -5.217 -3.976
476 HD11 LEU 58 HD11 LEU 58 -11.714 -7.390 -6.049
477 HD12 LEU 58 HD12 LEU 58 -10.508 -6.147 -5.720
478 HD13 LEU 58 HD13 LEU 58 -12.010 -5.725 -6.544
479 HD21 LEU 58 HD21 LEU 58 -14.250 -6.690 -4.801
480 HD22 LEU 58 HD22 LEU 58 -13.826 -5.140 -5.526
481 HD23 LEU 58 HD23 LEU 58 -14.104 -5.254 -3.788
482 H TRP 59 H TRP 59 -9.388 -5.534 -4.182
483 HA TRP 59 HA TRP 59 -8.827 -4.347 -1.521
484 HB2 TRP 59 HB2 TRP 59 -7.493 -4.228 -4.189
485 HB3 TRP 59 HB3 TRP 59 -7.278 -2.884 -3.070
486 HD1 TRP 59 HD1 TRP 59 -5.639 -5.955 -3.957
487 HE1 TRP 59 HE1 TRP 59 -4.207 -6.867 -2.016
488 HE3 TRP 59 HE3 TRP 59 -7.549 -3.223 -0.076
489 HZ2 TRP 59 HZ2 TRP 59 -3.929 -6.497 0.814
490 HZ3 TRP 59 HZ3 TRP 59 -6.695 -3.543 2.225
491 HH2 TRP 59 HH2 TRP 59 -4.888 -5.178 2.672
492 H ASP 60 H ASP 60 -9.409 -2.247 -1.048
493 HA ASP 60 HA ASP 60 -10.833 -0.644 -3.090
494 HB2 ASP 60 HB2 ASP 60 -12.522 -2.074 -1.831
495 HB3 ASP 60 HB3 ASP 60 -12.049 -1.208 -0.369
496 H GLU 61 H GLU 61 -10.992 1.644 -2.371
497 HA GLU 61 HA GLU 61 -8.630 2.580 -1.132
498 HB2 GLU 61 HB2 GLU 61 -11.340 3.937 -1.310
499 HB3 GLU 61 HB3 GLU 61 -9.827 4.749 -0.908
500 HG2 GLU 61 HG2 GLU 61 -10.003 5.124 -3.217
501 HG3 GLU 61 HG3 GLU 61 -8.951 3.712 -3.133
502 H ASN 62 H ASN 62 -11.811 1.870 0.262
503 HA ASN 62 HA ASN 62 -11.120 2.814 2.911
504 HB2 ASN 62 HB2 ASN 62 -13.474 2.471 1.974
505 HB3 ASN 62 HB3 ASN 62 -13.224 0.746 2.246
506 HD21 ASN 62 HD21 ASN 62 -15.253 1.673 3.740
507 HD22 ASN 62 HD22 ASN 62 -14.795 1.954 5.355
508 H ASN 63 H ASN 63 -11.190 -0.414 1.379
509 HA ASN 63 HA ASN 63 -10.408 -1.867 3.708
510 HB2 ASN 63 HB2 ASN 63 -9.997 -2.477 0.770
511 HB3 ASN 63 HB3 ASN 63 -9.729 -3.630 2.074
512 HD21 ASN 63 HD21 ASN 63 -11.703 -4.152 0.090
513 HD22 ASN 63 HD22 ASN 63 -13.242 -4.052 0.812
514 H MET 64 H MET 64 -8.486 -0.391 1.102
515 HA MET 64 HA MET 64 -5.965 -1.389 1.970
516 HB2 MET 64 HB2 MET 64 -6.710 1.117 0.447
517 HB3 MET 64 HB3 MET 64 -5.046 0.620 0.724
518 HG2 MET 64 HG2 MET 64 -5.739 -1.649 -0.281
519 HG3 MET 64 HG3 MET 64 -7.179 -0.812 -0.852
520 HE1 MET 64 HE1 MET 64 -3.556 -1.279 -0.744
521 HE2 MET 64 HE2 MET 64 -3.247 0.455 -0.649
522 HE3 MET 64 HE3 MET 64 -2.847 -0.424 -2.123
523 H SER 65 H SER 65 -7.866 1.404 3.006
524 HA SER 65 HA SER 65 -5.875 2.760 4.492
525 HB2 SER 65 HB2 SER 65 -8.788 2.423 5.264
526 HB3 SER 65 HB3 SER 65 -7.707 3.706 5.798
527 HG SER 65 HG SER 65 -8.778 3.208 3.234
528 H GLU 66 H GLU 66 -7.865 -0.054 5.347
529 HA GLU 66 HA GLU 66 -7.044 -0.210 8.087
530 HB2 GLU 66 HB2 GLU 66 -7.908 -2.402 6.173
531 HB3 GLU 66 HB3 GLU 66 -7.750 -2.598 7.919
532 HG2 GLU 66 HG2 GLU 66 -9.416 -0.781 8.249
533 HG3 GLU 66 HG3 GLU 66 -9.612 -0.672 6.500
534 H TYR 67 H TYR 67 -5.695 -1.582 5.093
535 HA TYR 67 HA TYR 67 -3.623 -3.098 6.387
536 HB2 TYR 67 HB2 TYR 67 -4.301 -3.456 4.024
537 HB3 TYR 67 HB3 TYR 67 -3.603 -1.890 3.606
538 HD1 TYR 67 HD2 TYR 67 -1.169 -1.509 3.753
539 HD2 TYR 67 HD1 TYR 67 -2.891 -5.365 4.545
540 HE1 TYR 67 HE2 TYR 67 1.076 -2.549 3.579
541 HE2 TYR 67 HE1 TYR 67 -0.647 -6.403 4.372
542 HH TYR 67 HH TYR 67 2.182 -4.701 4.512
543 H LEU 68 H LEU 68 -3.695 0.198 5.032
544 HA LEU 68 HA LEU 68 -1.011 0.897 5.267
545 HB2 LEU 68 HB2 LEU 68 -3.571 2.387 5.522
546 HB3 LEU 68 HB3 LEU 68 -2.121 3.186 6.118
547 HG LEU 68 HG LEU 68 -2.787 3.563 3.652
548 HD11 LEU 68 HD11 LEU 68 -0.230 3.150 3.024
549 HD12 LEU 68 HD12 LEU 68 -0.101 2.907 4.765
550 HD13 LEU 68 HD13 LEU 68 -0.714 4.433 4.132
551 HD21 LEU 68 HD21 LEU 68 -2.932 0.897 3.454
552 HD22 LEU 68 HD22 LEU 68 -1.230 1.092 3.041
553 HD23 LEU 68 HD23 LEU 68 -2.468 1.905 2.090
554 H THR 69 H THR 69 -3.441 0.743 7.839
555 HA THR 69 HA THR 69 -2.071 1.922 9.951
556 HB THR 69 HB THR 69 -3.573 -0.702 10.151
557 HG1 THR 69 HG1 THR 69 -5.188 1.210 10.700
558 HG21 THR 69 HG21 THR 69 -2.556 -0.142 12.229
559 HG22 THR 69 HG22 THR 69 -4.235 0.382 12.362
560 HG23 THR 69 HG23 THR 69 -2.964 1.564 12.047
561 H ASN 70 H ASN 70 -1.577 -1.287 8.544
562 HA ASN 70 HA ASN 70 1.063 -1.395 9.911
563 HB2 ASN 70 HB2 ASN 70 -0.733 -2.747 11.166
564 HB3 ASN 70 HB3 ASN 70 -0.733 -3.823 9.768
565 HD21 ASN 70 HD21 ASN 70 0.079 -5.130 11.958
566 HD22 ASN 70 HD22 ASN 70 1.772 -5.282 12.040
567 H HIS 71 H HIS 71 1.669 -4.030 8.938
568 HA HIS 71 HA HIS 71 1.567 -3.580 5.978
569 HB2 HIS 71 HB2 HIS 71 3.854 -3.755 7.705
570 HB3 HIS 71 HB3 HIS 71 3.841 -5.150 6.625
571 HD1 HIS 71 HD1 HIS 71 4.328 -1.479 6.696
572 HD2 HIS 71 HD2 HIS 71 3.884 -4.442 3.786
573 HE1 HIS 71 HE1 HIS 71 5.026 -0.437 4.498
574 H ALA 72 H ALA 72 0.256 -5.425 8.246
575 HA ALA 72 HA ALA 72 -0.250 -7.626 6.461
576 HB1 ALA 72 HB1 ALA 72 1.920 -8.420 6.931
577 HB2 ALA 72 HB2 ALA 72 0.882 -9.341 8.019
578 HB3 ALA 72 HB3 ALA 72 1.810 -7.974 8.630
579 H LYS 73 H LYS 73 -1.024 -5.763 9.062
580 HA LYS 73 HA LYS 73 -2.230 -7.531 10.915
581 HB2 LYS 73 HB2 LYS 73 -2.035 -5.044 11.204
582 HB3 LYS 73 HB3 LYS 73 -3.329 -4.847 10.020
583 HG2 LYS 73 HG2 LYS 73 -4.823 -6.217 11.456
584 HG3 LYS 73 HG3 LYS 73 -3.535 -6.336 12.654
585 HD2 LYS 73 HD2 LYS 73 -3.500 -3.829 12.777
586 HD3 LYS 73 HD3 LYS 73 -4.908 -3.803 11.715
587 HE2 LYS 73 HE2 LYS 73 -5.787 -3.679 13.927
588 HE3 LYS 73 HE3 LYS 73 -6.036 -5.348 13.418
589 HZ1 LYS 73 HZ1 LYS 73 -3.727 -4.393 15.021
590 HZ2 LYS 73 HZ2 LYS 73 -4.064 -6.003 14.597
591 HZ3 LYS 73 HZ3 LYS 73 -5.094 -5.169 15.661
592 H TYR 74 H TYR 74 -3.476 -6.173 7.879
593 HA TYR 74 HA TYR 74 -6.071 -7.413 8.059
594 HB2 TYR 74 HB2 TYR 74 -5.424 -5.483 6.536
595 HB3 TYR 74 HB3 TYR 74 -4.593 -6.664 5.523
596 HD1 TYR 74 HD1 TYR 74 -7.868 -5.530 6.783
597 HD2 TYR 74 HD2 TYR 74 -5.830 -8.295 4.205
598 HE1 TYR 74 HE1 TYR 74 -10.023 -6.108 5.702
599 HE2 TYR 74 HE2 TYR 74 -7.986 -8.875 3.123
600 HH TYR 74 HH TYR 74 -10.768 -8.529 4.273
601 H ILE 75 H ILE 75 -2.951 -8.405 6.719
602 HA ILE 75 HA ILE 75 -4.114 -11.116 6.204
603 HB ILE 75 HB ILE 75 -1.706 -10.848 4.742
604 HG12 ILE 75 HG12 ILE 75 -3.556 -8.514 4.198
605 HG13 ILE 75 HG13 ILE 75 -2.054 -8.366 5.110
606 HG21 ILE 75 HG21 ILE 75 -3.830 -12.111 4.195
607 HG22 ILE 75 HG22 ILE 75 -3.106 -11.240 2.845
608 HG23 ILE 75 HG23 ILE 75 -4.518 -10.575 3.671
609 HD11 ILE 75 HD11 ILE 75 -1.567 -7.804 2.813
610 HD12 ILE 75 HD12 ILE 75 -2.358 -9.272 2.237
611 HD13 ILE 75 HD13 ILE 75 -0.850 -9.382 3.145
612 HA PRO 76 HA PRO 76 -1.013 -11.526 9.630
613 HB2 PRO 76 HB2 PRO 76 -2.570 -14.019 10.034
614 HB3 PRO 76 HB3 PRO 76 -2.125 -12.767 11.207
615 HG2 PRO 76 HG2 PRO 76 -4.628 -13.048 10.292
616 HG3 PRO 76 HG3 PRO 76 -3.942 -11.472 10.721
617 HD2 PRO 76 HD2 PRO 76 -4.445 -12.630 8.012
618 HD3 PRO 76 HD3 PRO 76 -4.506 -10.935 8.546
619 H GLY 77 H GLY 77 0.867 -12.759 9.546
620 HA2 GLY 77 HA2 GLY 77 2.222 -14.645 8.945
621 HA3 GLY 77 HA3 GLY 77 0.906 -15.235 7.926
622 H THR 78 H THR 78 1.250 -11.974 7.382
623 HA THR 78 HA THR 78 2.623 -12.484 4.817
624 HB THR 78 HB THR 78 0.983 -10.236 5.947
625 HG1 THR 78 HG1 THR 78 0.908 -11.570 3.459
626 HG21 THR 78 HG21 THR 78 2.824 -9.049 4.953
627 HG22 THR 78 HG22 THR 78 1.490 -9.009 3.803
628 HG23 THR 78 HG23 THR 78 2.829 -10.131 3.563
629 H LYS 79 H LYS 79 4.326 -10.869 4.128
630 HA LYS 79 HA LYS 79 6.400 -10.733 6.143
631 HB2 LYS 79 HB2 LYS 79 6.234 -9.499 3.380
632 HB3 LYS 79 HB3 LYS 79 7.691 -9.557 4.370
633 HG2 LYS 79 HG2 LYS 79 7.520 -12.045 4.413
634 HG3 LYS 79 HG3 LYS 79 6.137 -11.939 3.323
635 HD2 LYS 79 HD2 LYS 79 7.591 -10.700 1.694
636 HD3 LYS 79 HD3 LYS 79 8.965 -11.007 2.757
637 HE2 LYS 79 HE2 LYS 79 7.483 -13.450 2.260
638 HE3 LYS 79 HE3 LYS 79 7.992 -12.703 0.745
639 HZ1 LYS 79 HZ1 LYS 79 9.665 -13.574 3.019
640 HZ2 LYS 79 HZ2 LYS 79 10.238 -12.455 1.876
641 HZ3 LYS 79 HZ3 LYS 79 9.786 -14.018 1.386
642 H MET 80 H MET 80 7.225 -8.920 7.205
643 HA MET 80 HA MET 80 5.771 -6.341 6.829
644 HB2 MET 80 HB2 MET 80 6.437 -7.670 9.477
645 HB3 MET 80 HB3 MET 80 5.801 -6.033 9.303
646 HG2 MET 80 HG2 MET 80 3.817 -6.994 8.104
647 HG3 MET 80 HG3 MET 80 4.432 -8.606 8.471
648 HE1 MET 80 HE1 MET 80 4.377 -9.006 12.150
649 HE2 MET 80 HE2 MET 80 5.671 -7.921 11.648
650 HE3 MET 80 HE3 MET 80 5.226 -9.284 10.624
651 H ALA 81 H ALA 81 7.081 -4.461 7.477
652 HA ALA 81 HA ALA 81 9.733 -4.662 8.490
653 HB1 ALA 81 HB1 ALA 81 10.550 -5.750 6.603
654 HB2 ALA 81 HB2 ALA 81 10.818 -4.064 6.161
655 HB3 ALA 81 HB3 ALA 81 9.424 -4.932 5.519
656 H PHE 82 H PHE 82 7.245 -2.901 8.284
657 HA PHE 82 HA PHE 82 8.628 -0.366 7.496
658 HB2 PHE 82 HB2 PHE 82 6.555 -0.840 6.219
659 HB3 PHE 82 HB3 PHE 82 5.649 -0.883 7.732
660 HD1 PHE 82 HD2 PHE 82 7.817 1.272 5.601
661 HD2 PHE 82 HD1 PHE 82 4.939 1.099 8.772
662 HE1 PHE 82 HE2 PHE 82 7.632 3.742 5.567
663 HE2 PHE 82 HE1 PHE 82 4.754 3.562 8.746
664 HZ PHE 82 HZ PHE 82 6.098 4.891 7.134
665 H GLY 83 H GLY 83 8.541 1.398 8.964
666 HA2 GLY 83 HA2 GLY 83 8.682 0.773 11.726
667 HA3 GLY 83 HA3 GLY 83 8.503 2.404 11.083
668 H GLY 84 H GLY 84 5.996 2.331 9.921
669 HA2 GLY 84 HA2 GLY 84 3.718 1.369 10.649
670 HA3 GLY 84 HA3 GLY 84 4.248 1.754 12.281
671 H LEU 85 H LEU 85 2.232 2.846 10.009
672 HA LEU 85 HA LEU 85 2.856 5.722 10.135
673 HB2 LEU 85 HB2 LEU 85 0.412 4.288 9.058
674 HB3 LEU 85 HB3 LEU 85 0.864 5.963 8.756
675 HG LEU 85 HG LEU 85 2.596 3.597 7.996
676 HD11 LEU 85 HD11 LEU 85 1.757 3.757 5.789
677 HD12 LEU 85 HD12 LEU 85 0.979 5.311 6.111
678 HD13 LEU 85 HD13 LEU 85 0.318 3.831 6.808
679 HD21 LEU 85 HD21 LEU 85 3.569 5.426 6.465
680 HD22 LEU 85 HD22 LEU 85 3.950 5.557 8.178
681 HD23 LEU 85 HD23 LEU 85 2.698 6.573 7.477
682 H LYS 86 H LYS 86 2.777 5.514 12.602
683 HA LYS 86 HA LYS 86 0.385 5.003 14.024
684 HB2 LYS 86 HB2 LYS 86 2.647 6.920 14.656
685 HB3 LYS 86 HB3 LYS 86 1.409 6.416 15.803
686 HG2 LYS 86 HG2 LYS 86 2.093 4.044 15.446
687 HG3 LYS 86 HG3 LYS 86 3.398 4.611 14.404
688 HD2 LYS 86 HD2 LYS 86 4.267 5.977 16.309
689 HD3 LYS 86 HD3 LYS 86 3.027 5.263 17.341
690 HE2 LYS 86 HE2 LYS 86 4.753 3.791 17.769
691 HE3 LYS 86 HE3 LYS 86 4.045 2.997 16.363
692 HZ1 LYS 86 HZ1 LYS 86 5.626 4.243 14.968
693 HZ2 LYS 86 HZ2 LYS 86 6.396 3.191 16.056
694 HZ3 LYS 86 HZ3 LYS 86 6.355 4.860 16.370
695 H LYS 87 H LYS 87 1.504 7.905 12.353
696 HA LYS 87 HA LYS 87 -0.752 9.492 13.366
697 HB2 LYS 87 HB2 LYS 87 1.353 10.091 11.264
698 HB3 LYS 87 HB3 LYS 87 0.154 11.248 11.843
699 HG2 LYS 87 HG2 LYS 87 1.029 10.932 14.162
700 HG3 LYS 87 HG3 LYS 87 2.289 9.884 13.508
701 HD2 LYS 87 HD2 LYS 87 3.036 11.769 12.046
702 HD3 LYS 87 HD3 LYS 87 1.850 12.807 12.836
703 HE2 LYS 87 HE2 LYS 87 2.988 12.047 15.047
704 HE3 LYS 87 HE3 LYS 87 4.321 11.545 14.008
705 HZ1 LYS 87 HZ1 LYS 87 4.381 13.799 13.096
706 HZ2 LYS 87 HZ2 LYS 87 4.661 13.791 14.772
707 HZ3 LYS 87 HZ3 LYS 87 3.149 14.268 14.162
708 H GLU 88 H GLU 88 -2.714 9.549 12.398
709 HA GLU 88 HA GLU 88 -3.338 7.942 10.112
710 HB2 GLU 88 HB2 GLU 88 -4.864 10.223 11.382
711 HB3 GLU 88 HB3 GLU 88 -5.530 9.127 10.173
712 HG2 GLU 88 HG2 GLU 88 -5.048 7.211 11.682
713 HG3 GLU 88 HG3 GLU 88 -4.466 8.343 12.903
714 H LYS 89 H LYS 89 -2.300 11.254 10.483
715 HA LYS 89 HA LYS 89 -3.150 12.372 8.040
716 HB2 LYS 89 HB2 LYS 89 -1.938 13.554 9.919
717 HB3 LYS 89 HB3 LYS 89 -0.449 12.828 9.329
718 HG2 LYS 89 HG2 LYS 89 -0.450 14.915 8.259
719 HG3 LYS 89 HG3 LYS 89 -1.135 13.852 7.031
720 HD2 LYS 89 HD2 LYS 89 -3.381 14.561 7.565
721 HD3 LYS 89 HD3 LYS 89 -2.817 15.450 8.980
722 HE2 LYS 89 HE2 LYS 89 -1.778 16.096 6.225
723 HE3 LYS 89 HE3 LYS 89 -3.288 16.794 6.812
724 HZ1 LYS 89 HZ1 LYS 89 -1.728 17.248 8.896
725 HZ2 LYS 89 HZ2 LYS 89 -1.879 18.344 7.608
726 HZ3 LYS 89 HZ3 LYS 89 -0.551 17.286 7.675
727 H ASP 90 H ASP 90 -0.181 10.535 8.737
728 HA ASP 90 HA ASP 90 0.903 10.661 6.107
729 HB2 ASP 90 HB2 ASP 90 1.161 8.459 8.180
730 HB3 ASP 90 HB3 ASP 90 2.186 8.655 6.761
731 H ARG 91 H ARG 91 -1.083 8.106 7.640
732 HA ARG 91 HA ARG 91 -1.341 6.453 5.357
733 HB2 ARG 91 HB2 ARG 91 -2.097 5.653 7.501
734 HB3 ARG 91 HB3 ARG 91 -3.264 6.969 7.636
735 HG2 ARG 91 HG2 ARG 91 -4.587 6.100 5.835
736 HG3 ARG 91 HG3 ARG 91 -3.340 4.935 5.396
737 HD2 ARG 91 HD2 ARG 91 -5.035 3.745 6.635
738 HD3 ARG 91 HD3 ARG 91 -3.629 3.903 7.687
739 HE ARG 91 HE ARG 91 -5.432 6.114 8.088
740 HH11 ARG 91 HH21 ARG 91 -4.950 2.750 8.670
741 HH12 ARG 91 HH22 ARG 91 -5.888 2.732 10.125
742 HH21 ARG 91 HH11 ARG 91 -6.661 6.109 9.984
743 HH22 ARG 91 HH12 ARG 91 -6.857 4.633 10.870
744 H ASN 92 H ASN 92 -3.378 9.201 6.375
745 HA ASN 92 HA ASN 92 -5.275 8.953 4.259
746 HB2 ASN 92 HB2 ASN 92 -4.381 11.359 5.863
747 HB3 ASN 92 HB3 ASN 92 -5.747 11.372 4.753
748 HD21 ASN 92 HD21 ASN 92 -6.379 11.911 7.372
749 HD22 ASN 92 HD22 ASN 92 -7.138 10.578 8.101
750 H ASP 93 H ASP 93 -2.274 10.850 4.497
751 HA ASP 93 HA ASP 93 -2.543 12.126 1.949
752 HB2 ASP 93 HB2 ASP 93 -0.067 11.452 3.562
753 HB3 ASP 93 HB3 ASP 93 -0.082 12.508 2.148
754 H LEU 94 H LEU 94 -0.970 9.094 2.925
755 HA LEU 94 HA LEU 94 0.258 8.439 0.466
756 HB2 LEU 94 HB2 LEU 94 -0.625 6.978 2.859
757 HB3 LEU 94 HB3 LEU 94 -0.603 6.000 1.394
758 HG LEU 94 HG LEU 94 1.735 7.759 2.091
759 HD11 LEU 94 HD11 LEU 94 1.273 6.346 4.063
760 HD12 LEU 94 HD12 LEU 94 2.735 5.806 3.236
761 HD13 LEU 94 HD13 LEU 94 1.223 4.919 3.028
762 HD21 LEU 94 HD21 LEU 94 1.336 5.211 0.491
763 HD22 LEU 94 HD22 LEU 94 2.913 5.934 0.814
764 HD23 LEU 94 HD23 LEU 94 1.721 6.810 -0.144
765 H ILE 95 H ILE 95 -2.841 7.155 1.640
766 HA ILE 95 HA ILE 95 -3.643 5.945 -0.735
767 HB ILE 95 HB ILE 95 -5.413 7.281 1.316
768 HG12 ILE 95 HG12 ILE 95 -4.071 4.560 1.189
769 HG13 ILE 95 HG13 ILE 95 -3.810 5.817 2.395
770 HG21 ILE 95 HG21 ILE 95 -5.901 4.905 -0.497
771 HG22 ILE 95 HG22 ILE 95 -6.499 6.532 -0.818
772 HG23 ILE 95 HG23 ILE 95 -7.063 5.650 0.600
773 HD11 ILE 95 HD11 ILE 95 -5.907 3.795 2.285
774 HD12 ILE 95 HD12 ILE 95 -6.572 5.421 2.440
775 HD13 ILE 95 HD13 ILE 95 -5.415 4.824 3.630
776 H THR 96 H THR 96 -3.992 9.323 0.261
777 HA THR 96 HA THR 96 -5.699 10.175 -1.835
778 HB THR 96 HB THR 96 -3.400 11.734 -0.618
779 HG1 THR 96 HG1 THR 96 -4.613 12.003 1.097
780 HG21 THR 96 HG21 THR 96 -4.602 13.667 -1.266
781 HG22 THR 96 HG22 THR 96 -6.069 12.741 -1.586
782 HG23 THR 96 HG23 THR 96 -4.683 12.598 -2.666
783 H TYR 97 H TYR 97 -2.195 9.676 -1.687
784 HA TYR 97 HA TYR 97 -1.779 10.604 -4.425
785 HB2 TYR 97 HB2 TYR 97 0.020 10.893 -2.822
786 HB3 TYR 97 HB3 TYR 97 0.023 9.166 -2.460
787 HD1 TYR 97 HD1 TYR 97 0.734 11.695 -5.091
788 HD2 TYR 97 HD2 TYR 97 1.103 7.591 -3.886
789 HE1 TYR 97 HE1 TYR 97 2.314 11.287 -6.959
790 HE2 TYR 97 HE2 TYR 97 2.678 7.180 -5.750
791 HH TYR 97 HH TYR 97 3.041 8.412 -8.155
792 H LEU 98 H LEU 98 -1.686 7.445 -2.763
793 HA LEU 98 HA LEU 98 -1.120 5.833 -5.015
794 HB2 LEU 98 HB2 LEU 98 -2.959 5.164 -2.706
795 HB3 LEU 98 HB3 LEU 98 -2.174 4.001 -3.766
796 HG LEU 98 HG LEU 98 -0.669 5.989 -2.037
797 HD11 LEU 98 HD11 LEU 98 -0.097 3.780 -0.794
798 HD12 LEU 98 HD12 LEU 98 -1.548 3.142 -1.566
799 HD13 LEU 98 HD13 LEU 98 -1.664 4.524 -0.476
800 HD21 LEU 98 HD21 LEU 98 0.078 3.715 -3.860
801 HD22 LEU 98 HD22 LEU 98 1.135 4.182 -2.529
802 HD23 LEU 98 HD23 LEU 98 0.745 5.345 -3.794
803 H LYS 99 H LYS 99 -4.294 6.790 -3.702
804 HA LYS 99 HA LYS 99 -5.864 5.524 -5.708
805 HB2 LYS 99 HB2 LYS 99 -6.790 6.422 -3.595
806 HB3 LYS 99 HB3 LYS 99 -6.479 8.053 -4.174
807 HG2 LYS 99 HG2 LYS 99 -7.955 7.594 -6.140
808 HG3 LYS 99 HG3 LYS 99 -8.333 6.019 -5.440
809 HD2 LYS 99 HD2 LYS 99 -9.126 7.221 -3.368
810 HD3 LYS 99 HD3 LYS 99 -8.928 8.738 -4.243
811 HE2 LYS 99 HE2 LYS 99 -10.437 7.739 -6.046
812 HE3 LYS 99 HE3 LYS 99 -10.809 6.460 -4.890
813 HZ1 LYS 99 HZ1 LYS 99 -11.863 7.914 -3.481
814 HZ2 LYS 99 HZ2 LYS 99 -12.281 8.569 -4.992
815 HZ3 LYS 99 HZ3 LYS 99 -11.040 9.274 -4.071
816 H LYS 100 H LYS 100 -4.381 8.736 -5.578
817 HA LYS 100 HA LYS 100 -5.544 9.819 -7.939
818 HB2 LYS 100 HB2 LYS 100 -4.104 11.031 -6.231
819 HB3 LYS 100 HB3 LYS 100 -2.705 10.288 -6.998
820 HG2 LYS 100 HG2 LYS 100 -3.376 11.295 -9.166
821 HG3 LYS 100 HG3 LYS 100 -4.727 12.092 -8.359
822 HD2 LYS 100 HD2 LYS 100 -3.081 13.204 -6.827
823 HD3 LYS 100 HD3 LYS 100 -1.779 12.511 -7.796
824 HE2 LYS 100 HE2 LYS 100 -3.403 13.656 -9.713
825 HE3 LYS 100 HE3 LYS 100 -3.522 14.801 -8.378
826 HZ1 LYS 100 HZ1 LYS 100 -1.636 15.189 -9.945
827 HZ2 LYS 100 HZ2 LYS 100 -0.944 13.741 -9.388
828 HZ3 LYS 100 HZ3 LYS 100 -1.184 15.038 -8.317
829 H ALA 101 H ALA 101 -2.626 7.887 -7.452
830 HA ALA 101 HA ALA 101 -1.835 7.865 -10.228
831 HB1 ALA 101 HB1 ALA 101 -0.017 7.131 -9.070
832 HB2 ALA 101 HB2 ALA 101 -0.784 5.546 -9.177
833 HB3 ALA 101 HB3 ALA 101 -1.000 6.535 -7.733
834 H THR 102 H THR 102 -3.542 5.514 -8.162
835 HA THR 102 HA THR 102 -4.071 3.624 -10.245
836 HB THR 102 HB THR 102 -5.771 4.199 -7.795
837 HG1 THR 102 HG1 THR 102 -4.457 2.538 -6.877
838 HG21 THR 102 HG21 THR 102 -5.460 1.448 -8.766
839 HG22 THR 102 HG22 THR 102 -6.256 2.513 -9.924
840 HG23 THR 102 HG23 THR 102 -6.922 2.318 -8.302
841 H GLU 103 H GLU 103 -5.606 6.609 -9.230
842 HA GLU 103 HA GLU 103 -8.099 6.317 -10.585
843 HB2 GLU 103 HB2 GLU 103 -7.541 8.161 -8.985
844 HB3 GLU 103 HB3 GLU 103 -6.505 8.873 -10.223
845 HG2 GLU 103 HG2 GLU 103 -8.473 8.991 -11.751
846 HG3 GLU 103 HG3 GLU 103 -9.490 8.386 -10.442
847 HHA HEC 104 HA HEC 104 2.193 -5.667 0.805
848 HHB HEC 104 HB HEC 104 1.423 0.602 1.299
849 HHC HEC 104 HC HEC 104 7.607 1.245 2.498
850 HHD HEC 104 HD HEC 104 8.378 -4.997 1.831
851 HMA1 HEC 104 1HMA HEC 104 -0.488 -0.788 -0.358
852 HMA2 HEC 104 2HMA HEC 104 -0.617 -0.374 1.351
853 HMA3 HEC 104 3HMA HEC 104 -1.391 -1.831 0.739
854 HAA1 HEC 104 1HAA HEC 104 0.124 -5.295 0.769
855 HAA2 HEC 104 2HAA HEC 104 -0.837 -4.215 1.748
856 HBA1 HEC 104 1HBA HEC 104 -0.859 -3.271 -0.960
857 HBA2 HEC 104 2HBA HEC 104 -2.208 -3.858 0.013
858 HMB1 HEC 104 1HMB HEC 104 1.940 2.848 1.250
859 HMB2 HEC 104 2HMB HEC 104 2.173 2.732 2.995
860 HMB3 HEC 104 3HMB HEC 104 3.119 3.885 2.053
861 HAB HEC 104 HAB HEC 104 6.815 3.197 2.190
862 HBB1 HEC 104 1HBB HEC 104 4.559 3.647 3.881
863 HBB2 HEC 104 2HBB HEC 104 4.895 5.121 2.973
864 HBB3 HEC 104 3HBB HEC 104 6.157 4.388 3.961
865 HMC1 HEC 104 1HMC HEC 104 10.035 0.699 2.274
866 HMC2 HEC 104 2HMC HEC 104 9.523 0.278 3.910
867 HMC3 HEC 104 3HMC HEC 104 10.831 -0.617 3.135
868 HAC HEC 104 HAC HEC 104 10.286 -4.006 1.557
869 HBC1 HEC 104 1HBC HEC 104 10.628 -2.767 4.157
870 HBC2 HEC 104 2HBC HEC 104 11.268 -4.300 3.567
871 HBC3 HEC 104 3HBC HEC 104 12.154 -2.804 3.273
872 HMD1 HEC 104 1HMD HEC 104 7.366 -7.302 2.645
873 HMD2 HEC 104 2HMD HEC 104 7.885 -7.286 0.958
874 HMD3 HEC 104 3HMD HEC 104 6.542 -8.316 1.459
875 HAD1 HEC 104 1HAD HEC 104 4.774 -8.197 -0.065
876 HAD2 HEC 104 2HAD HEC 104 3.207 -7.436 0.070
877 HBD1 HEC 104 1HBD HEC 104 2.729 -8.485 2.008
878 HBD2 HEC 104 2HBD HEC 104 4.377 -8.366 2.612
Start of MODEL 4
1 H1 THR -5 H1 THR -5 -16.540 9.827 -0.623
2 H2 THR -5 H2 THR -5 -16.824 11.499 -0.723
3 H3 THR -5 H3 THR -5 -17.744 10.539 0.336
4 HA THR -5 HA THR -5 -14.844 11.134 0.555
5 HB THR -5 HB THR -5 -15.687 12.104 2.777
6 HG1 THR -5 HG1 THR -5 -17.750 12.085 3.105
7 HG21 THR -5 HG21 THR -5 -16.372 14.228 1.702
8 HG22 THR -5 HG22 THR -5 -16.565 13.376 0.170
9 HG23 THR -5 HG23 THR -5 -14.967 13.518 0.905
10 H GLU -4 H GLU -4 -15.163 8.537 0.311
11 HA GLU -4 HA GLU -4 -16.151 7.070 2.549
12 HB2 GLU -4 HB2 GLU -4 -13.929 6.391 0.598
13 HB3 GLU -4 HB3 GLU -4 -14.664 5.244 1.718
14 HG2 GLU -4 HG2 GLU -4 -16.880 5.684 0.681
15 HG3 GLU -4 HG3 GLU -4 -16.103 6.765 -0.476
16 H PHE -3 H PHE -3 -13.056 8.653 1.947
17 HA PHE -3 HA PHE -3 -12.353 8.148 4.792
18 HB2 PHE -3 HB2 PHE -3 -10.028 7.697 4.174
19 HB3 PHE -3 HB3 PHE -3 -11.091 6.551 3.359
20 HD1 PHE -3 HD2 PHE -3 -11.651 6.851 0.946
21 HD2 PHE -3 HD1 PHE -3 -8.767 9.332 2.941
22 HE1 PHE -3 HE2 PHE -3 -10.776 7.601 -1.250
23 HE2 PHE -3 HE1 PHE -3 -7.892 10.082 0.746
24 HZ PHE -3 HZ PHE -3 -8.896 9.216 -1.350
25 H LYS -2 H LYS -2 -10.699 9.738 5.579
26 HA LYS -2 HA LYS -2 -11.306 12.398 4.488
27 HB2 LYS -2 HB2 LYS -2 -9.496 11.643 6.801
28 HB3 LYS -2 HB3 LYS -2 -10.144 13.245 6.452
29 HG2 LYS -2 HG2 LYS -2 -11.850 10.814 7.057
30 HG3 LYS -2 HG3 LYS -2 -11.409 12.036 8.248
31 HD2 LYS -2 HD2 LYS -2 -12.424 13.748 6.612
32 HD3 LYS -2 HD3 LYS -2 -13.140 12.359 5.793
33 HE2 LYS -2 HE2 LYS -2 -14.298 11.687 7.813
34 HE3 LYS -2 HE3 LYS -2 -13.483 12.941 8.746
35 HZ1 LYS -2 HZ1 LYS -2 -14.711 14.593 7.781
36 HZ2 LYS -2 HZ2 LYS -2 -15.858 13.339 7.801
37 HZ3 LYS -2 HZ3 LYS -2 -15.023 13.709 6.368
38 H ALA -1 H ALA -1 -9.856 13.701 3.394
39 HA ALA -1 HA ALA -1 -7.229 12.460 2.714
40 HB1 ALA -1 HB1 ALA -1 -8.609 14.609 1.113
41 HB2 ALA -1 HB2 ALA -1 -8.982 12.903 0.877
42 HB3 ALA -1 HB3 ALA -1 -7.346 13.495 0.590
43 H GLY 1 H GLY 1 -6.519 15.122 1.461
44 HA2 GLY 1 HA2 GLY 1 -6.502 17.279 3.207
45 HA3 GLY 1 HA3 GLY 1 -5.203 16.240 3.795
46 H SER 2 H SER 2 -3.444 15.740 2.293
47 HA SER 2 HA SER 2 -3.291 17.416 -0.128
48 HB2 SER 2 HB2 SER 2 -1.776 17.852 2.357
49 HB3 SER 2 HB3 SER 2 -0.777 17.775 0.909
50 HG SER 2 HG SER 2 -3.147 19.312 1.019
51 H ALA 3 H ALA 3 -2.893 15.841 -1.616
52 HA ALA 3 HA ALA 3 -1.615 13.346 -1.033
53 HB1 ALA 3 HB1 ALA 3 -2.134 12.841 -3.188
54 HB2 ALA 3 HB2 ALA 3 -1.374 14.307 -3.808
55 HB3 ALA 3 HB3 ALA 3 -3.014 14.368 -3.164
56 H LYS 4 H LYS 4 -0.391 16.502 -1.758
57 HA LYS 4 HA LYS 4 2.155 15.895 -2.833
58 HB2 LYS 4 HB2 LYS 4 1.412 18.084 -0.866
59 HB3 LYS 4 HB3 LYS 4 2.840 18.072 -1.902
60 HG2 LYS 4 HG2 LYS 4 1.599 18.393 -3.852
61 HG3 LYS 4 HG3 LYS 4 0.120 17.754 -3.134
62 HD2 LYS 4 HD2 LYS 4 1.341 20.251 -1.997
63 HD3 LYS 4 HD3 LYS 4 0.391 20.354 -3.480
64 HE2 LYS 4 HE2 LYS 4 -1.474 19.151 -2.295
65 HE3 LYS 4 HE3 LYS 4 -0.536 19.253 -0.807
66 HZ1 LYS 4 HZ1 LYS 4 -1.311 21.288 -0.516
67 HZ2 LYS 4 HZ2 LYS 4 -2.176 21.206 -1.975
68 HZ3 LYS 4 HZ3 LYS 4 -0.581 21.790 -1.961
69 H LYS 5 H LYS 5 1.104 16.120 0.574
70 HA LYS 5 HA LYS 5 3.655 15.553 1.723
71 HB2 LYS 5 HB2 LYS 5 0.868 15.027 2.766
72 HB3 LYS 5 HB3 LYS 5 2.333 14.918 3.736
73 HG2 LYS 5 HG2 LYS 5 2.832 17.301 3.177
74 HG3 LYS 5 HG3 LYS 5 1.287 17.390 2.330
75 HD2 LYS 5 HD2 LYS 5 0.136 16.730 4.448
76 HD3 LYS 5 HD3 LYS 5 1.693 16.794 5.274
77 HE2 LYS 5 HE2 LYS 5 -0.064 18.992 4.427
78 HE3 LYS 5 HE3 LYS 5 1.196 18.972 5.661
79 HZ1 LYS 5 HZ1 LYS 5 2.860 19.175 3.944
80 HZ2 LYS 5 HZ2 LYS 5 1.740 20.444 3.806
81 HZ3 LYS 5 HZ3 LYS 5 1.673 19.129 2.733
82 H GLY 6 H GLY 6 0.999 13.471 0.660
83 HA2 GLY 6 HA2 GLY 6 2.005 11.007 1.660
84 HA3 GLY 6 HA3 GLY 6 0.940 11.160 0.263
85 H ALA 7 H ALA 7 2.755 12.815 -1.282
86 HA ALA 7 HA ALA 7 4.253 10.775 -2.599
87 HB1 ALA 7 HB1 ALA 7 3.474 13.080 -3.495
88 HB2 ALA 7 HB2 ALA 7 5.045 12.479 -4.028
89 HB3 ALA 7 HB3 ALA 7 4.952 13.703 -2.761
90 H THR 8 H THR 8 5.241 13.281 -0.268
91 HA THR 8 HA THR 8 8.024 12.692 -0.320
92 HB THR 8 HB THR 8 6.404 13.668 2.037
93 HG1 THR 8 HG1 THR 8 6.032 15.306 0.799
94 HG21 THR 8 HG21 THR 8 8.754 12.993 2.478
95 HG22 THR 8 HG22 THR 8 8.490 14.721 2.710
96 HG23 THR 8 HG23 THR 8 9.282 14.138 1.246
97 H LEU 9 H LEU 9 5.396 11.418 1.726
98 HA LEU 9 HA LEU 9 7.123 9.673 3.233
99 HB2 LEU 9 HB2 LEU 9 4.802 10.386 3.936
100 HB3 LEU 9 HB3 LEU 9 4.167 9.306 2.696
101 HG LEU 9 HG LEU 9 5.538 7.451 3.773
102 HD11 LEU 9 HD11 LEU 9 6.969 8.030 5.407
103 HD12 LEU 9 HD12 LEU 9 5.592 8.491 6.407
104 HD13 LEU 9 HD13 LEU 9 6.379 9.691 5.382
105 HD21 LEU 9 HD21 LEU 9 3.047 8.677 4.601
106 HD22 LEU 9 HD22 LEU 9 3.832 7.884 5.968
107 HD23 LEU 9 HD23 LEU 9 3.466 6.966 4.508
108 H PHE 10 H PHE 10 5.221 9.310 0.278
109 HA PHE 10 HA PHE 10 5.491 6.513 -0.017
110 HB2 PHE 10 HB2 PHE 10 3.980 7.871 -1.415
111 HB3 PHE 10 HB3 PHE 10 5.376 8.618 -2.194
112 HD1 PHE 10 HD1 PHE 10 6.974 7.172 -3.524
113 HD2 PHE 10 HD2 PHE 10 3.192 5.723 -2.088
114 HE1 PHE 10 HE1 PHE 10 7.081 5.291 -5.142
115 HE2 PHE 10 HE2 PHE 10 3.300 3.844 -3.704
116 HZ PHE 10 HZ PHE 10 5.244 3.630 -5.231
117 H LYS 11 H LYS 11 7.533 9.112 -1.400
118 HA LYS 11 HA LYS 11 9.438 7.316 -2.555
119 HB2 LYS 11 HB2 LYS 11 10.837 9.298 -2.836
120 HB3 LYS 11 HB3 LYS 11 9.171 9.680 -3.254
121 HG2 LYS 11 HG2 LYS 11 8.841 10.611 -0.984
122 HG3 LYS 11 HG3 LYS 11 10.536 10.289 -0.616
123 HD2 LYS 11 HD2 LYS 11 11.110 11.706 -2.658
124 HD3 LYS 11 HD3 LYS 11 9.415 12.196 -2.681
125 HE2 LYS 11 HE2 LYS 11 9.895 13.765 -1.142
126 HE3 LYS 11 HE3 LYS 11 10.281 12.476 -0.002
127 HZ1 LYS 11 HZ1 LYS 11 12.498 12.517 -1.459
128 HZ2 LYS 11 HZ2 LYS 11 12.293 13.448 -0.053
129 HZ3 LYS 11 HZ3 LYS 11 12.054 14.149 -1.582
130 H THR 12 H THR 12 9.051 8.529 0.694
131 HA THR 12 HA THR 12 11.779 8.054 1.518
132 HB THR 12 HB THR 12 10.836 8.223 3.818
133 HG1 THR 12 HG1 THR 12 8.567 8.788 3.870
134 HG21 THR 12 HG21 THR 12 9.568 10.539 3.121
135 HG22 THR 12 HG22 THR 12 10.519 10.215 1.671
136 HG23 THR 12 HG23 THR 12 11.318 10.362 3.236
137 H ARG 13 H ARG 13 9.012 5.949 1.093
138 HA ARG 13 HA ARG 13 10.710 3.718 2.099
139 HB2 ARG 13 HB2 ARG 13 7.846 4.197 2.972
140 HB3 ARG 13 HB3 ARG 13 8.831 2.799 3.402
141 HG2 ARG 13 HG2 ARG 13 10.492 4.349 4.451
142 HG3 ARG 13 HG3 ARG 13 9.393 5.690 4.120
143 HD2 ARG 13 HD2 ARG 13 7.632 4.498 5.442
144 HD3 ARG 13 HD3 ARG 13 8.837 3.286 5.879
145 HE ARG 13 HE ARG 13 8.667 6.007 6.947
146 HH11 ARG 13 HH21 ARG 13 10.607 3.233 6.294
147 HH12 ARG 13 HH22 ARG 13 11.771 3.593 7.524
148 HH21 ARG 13 HH11 ARG 13 10.175 6.492 8.558
149 HH22 ARG 13 HH12 ARG 13 11.526 5.438 8.807
150 H CYS 14 H CYS 14 7.396 4.256 0.846
151 HA CYS 14 HA CYS 14 6.926 1.834 -0.412
152 HB2 CYS 14 HB2 CYS 14 6.124 4.615 -0.852
153 HB3 CYS 14 HB3 CYS 14 6.009 3.620 -2.280
154 H LEU 15 H LEU 15 8.472 4.616 -2.045
155 HA LEU 15 HA LEU 15 9.138 3.237 -4.427
156 HB2 LEU 15 HB2 LEU 15 9.248 5.707 -4.139
157 HB3 LEU 15 HB3 LEU 15 10.692 5.497 -3.144
158 HG LEU 15 HG LEU 15 11.765 4.299 -5.084
159 HD11 LEU 15 HD11 LEU 15 10.341 3.613 -6.703
160 HD12 LEU 15 HD12 LEU 15 10.342 5.289 -7.253
161 HD13 LEU 15 HD13 LEU 15 9.074 4.717 -6.168
162 HD21 LEU 15 HD21 LEU 15 11.659 6.585 -6.532
163 HD22 LEU 15 HD22 LEU 15 12.590 6.436 -5.041
164 HD23 LEU 15 HD23 LEU 15 10.984 7.165 -5.009
165 H GLN 16 H GLN 16 10.904 3.468 -1.363
166 HA GLN 16 HA GLN 16 13.372 2.388 -2.242
167 HB2 GLN 16 HB2 GLN 16 11.995 2.097 0.443
168 HB3 GLN 16 HB3 GLN 16 13.684 1.696 0.133
169 HG2 GLN 16 HG2 GLN 16 14.136 4.011 -0.541
170 HG3 GLN 16 HG3 GLN 16 12.440 4.428 -0.293
171 HE21 GLN 16 HE21 GLN 16 14.455 5.776 1.188
172 HE22 GLN 16 HE22 GLN 16 14.344 5.312 2.818
173 H CYS 17 H CYS 17 10.375 0.724 -1.275
174 HA CYS 17 HA CYS 17 11.702 -1.857 -1.990
175 HB2 CYS 17 HB2 CYS 17 9.240 -1.384 -0.300
176 HB3 CYS 17 HB3 CYS 17 9.981 -2.950 -0.621
177 H HIS 18 H HIS 18 8.555 -0.175 -2.297
178 HA HIS 18 HA HIS 18 7.914 -2.000 -4.565
179 HB2 HIS 18 HB2 HIS 18 6.178 0.108 -3.261
180 HB3 HIS 18 HB3 HIS 18 5.662 -1.058 -4.469
181 HD1 HIS 18 HD1 HIS 18 5.868 -3.682 -3.652
182 HD2 HIS 18 HD2 HIS 18 5.933 -0.745 -0.706
183 HE1 HIS 18 HE1 HIS 18 5.179 -4.823 -1.478
184 H THR 19 H THR 19 7.312 -1.171 -6.587
185 HA THR 19 HA THR 19 7.972 1.701 -7.079
186 HB THR 19 HB THR 19 8.773 0.999 -9.342
187 HG1 THR 19 HG1 THR 19 9.335 -1.473 -9.045
188 HG21 THR 19 HG21 THR 19 10.914 0.565 -8.593
189 HG22 THR 19 HG22 THR 19 10.370 -0.613 -7.398
190 HG23 THR 19 HG23 THR 19 10.178 1.114 -7.087
191 H VAL 20 H VAL 20 6.565 2.694 -8.679
192 HA VAL 20 HA VAL 20 3.985 1.234 -8.903
193 HB VAL 20 HB VAL 20 3.063 3.462 -9.535
194 HG11 VAL 20 HG11 VAL 20 4.363 4.416 -7.188
195 HG12 VAL 20 HG12 VAL 20 4.188 2.669 -7.017
196 HG13 VAL 20 HG13 VAL 20 2.769 3.672 -7.315
197 HG21 VAL 20 HG21 VAL 20 5.902 4.025 -9.836
198 HG22 VAL 20 HG22 VAL 20 5.129 5.195 -8.765
199 HG23 VAL 20 HG23 VAL 20 4.516 4.958 -10.402
200 H GLU 21 H GLU 21 3.623 3.391 -11.221
201 HA GLU 21 HA GLU 21 3.507 3.169 -13.560
202 HB2 GLU 21 HB2 GLU 21 6.330 2.170 -13.059
203 HB3 GLU 21 HB3 GLU 21 5.693 2.648 -14.632
204 HG2 GLU 21 HG2 GLU 21 5.843 4.453 -12.199
205 HG3 GLU 21 HG3 GLU 21 6.974 4.485 -13.553
206 H LYS 22 H LYS 22 4.063 1.410 -15.402
207 HA LYS 22 HA LYS 22 2.884 -1.111 -14.383
208 HB2 LYS 22 HB2 LYS 22 3.367 -0.111 -17.208
209 HB3 LYS 22 HB3 LYS 22 2.575 -1.635 -16.802
210 HG2 LYS 22 HG2 LYS 22 0.868 -0.356 -15.504
211 HG3 LYS 22 HG3 LYS 22 1.623 1.143 -16.047
212 HD2 LYS 22 HD2 LYS 22 1.243 0.423 -18.413
213 HD3 LYS 22 HD3 LYS 22 0.368 -0.984 -17.806
214 HE2 LYS 22 HE2 LYS 22 -1.346 0.578 -18.222
215 HE3 LYS 22 HE3 LYS 22 -1.058 0.741 -16.489
216 HZ1 LYS 22 HZ1 LYS 22 -0.864 2.711 -18.442
217 HZ2 LYS 22 HZ2 LYS 22 0.716 2.414 -17.891
218 HZ3 LYS 22 HZ3 LYS 22 -0.504 2.848 -16.791
219 H GLY 23 H GLY 23 4.104 -2.930 -14.136
220 HA2 GLY 23 HA2 GLY 23 5.880 -4.451 -14.435
221 HA3 GLY 23 HA3 GLY 23 6.400 -3.494 -15.822
222 H GLY 24 H GLY 24 5.956 -2.347 -12.496
223 HA2 GLY 24 HA2 GLY 24 8.356 -0.853 -12.448
224 HA3 GLY 24 HA3 GLY 24 7.499 -1.392 -11.003
225 HA PRO 25 HA PRO 25 11.437 -4.003 -11.880
226 HB2 PRO 25 HB2 PRO 25 13.397 -2.588 -10.634
227 HB3 PRO 25 HB3 PRO 25 12.987 -2.345 -12.344
228 HG2 PRO 25 HG2 PRO 25 12.202 -0.736 -9.963
229 HG3 PRO 25 HG3 PRO 25 12.703 -0.194 -11.575
230 HD2 PRO 25 HD2 PRO 25 10.079 -0.294 -10.786
231 HD3 PRO 25 HD3 PRO 25 10.595 -0.484 -12.477
232 H HIS 26 H HIS 26 12.016 -5.530 -10.300
233 HA HIS 26 HA HIS 26 10.864 -5.100 -7.614
234 HB2 HIS 26 HB2 HIS 26 12.147 -7.506 -8.944
235 HB3 HIS 26 HB3 HIS 26 11.576 -7.511 -7.279
236 HD1 HIS 26 HD1 HIS 26 8.927 -6.177 -7.357
237 HD2 HIS 26 HD2 HIS 26 10.185 -8.720 -10.409
238 HE1 HIS 26 HE1 HIS 26 6.830 -6.956 -8.556
239 HE2 HIS 26 HE2 HIS 26 7.589 -8.499 -10.417
240 H LYS 27 H LYS 27 12.723 -3.325 -7.500
241 HA LYS 27 HA LYS 27 15.439 -4.009 -7.218
242 HB2 LYS 27 HB2 LYS 27 14.589 -1.682 -7.168
243 HB3 LYS 27 HB3 LYS 27 13.885 -1.985 -5.578
244 HG2 LYS 27 HG2 LYS 27 16.082 -2.424 -4.635
245 HG3 LYS 27 HG3 LYS 27 16.831 -2.271 -6.226
246 HD2 LYS 27 HD2 LYS 27 17.147 -0.176 -5.050
247 HD3 LYS 27 HD3 LYS 27 15.961 0.091 -6.329
248 HE2 LYS 27 HE2 LYS 27 14.162 0.157 -4.820
249 HE3 LYS 27 HE3 LYS 27 15.067 -0.678 -3.559
250 HZ1 LYS 27 HZ1 LYS 27 14.991 2.124 -4.217
251 HZ2 LYS 27 HZ2 LYS 27 16.564 1.518 -3.999
252 HZ3 LYS 27 HZ3 LYS 27 15.410 1.364 -2.761
253 H VAL 28 H VAL 28 12.822 -4.201 -4.828
254 HA VAL 28 HA VAL 28 14.514 -6.084 -3.267
255 HB VAL 28 HB VAL 28 12.993 -3.736 -2.121
256 HG11 VAL 28 HG11 VAL 28 12.685 -5.265 -0.435
257 HG12 VAL 28 HG12 VAL 28 14.324 -4.762 -0.023
258 HG13 VAL 28 HG13 VAL 28 14.061 -6.248 -0.936
259 HG21 VAL 28 HG21 VAL 28 14.990 -2.733 -2.557
260 HG22 VAL 28 HG22 VAL 28 15.818 -4.273 -2.780
261 HG23 VAL 28 HG23 VAL 28 15.555 -3.641 -1.155
262 H GLY 29 H GLY 29 11.515 -4.773 -2.077
263 HA2 GLY 29 HA2 GLY 29 10.297 -7.436 -2.156
264 HA3 GLY 29 HA3 GLY 29 9.565 -5.980 -1.476
265 HA PRO 30 HA PRO 30 7.853 -7.411 -5.788
266 HB2 PRO 30 HB2 PRO 30 5.299 -7.133 -4.393
267 HB3 PRO 30 HB3 PRO 30 5.927 -8.513 -5.308
268 HG2 PRO 30 HG2 PRO 30 5.773 -8.197 -2.487
269 HG3 PRO 30 HG3 PRO 30 6.419 -9.561 -3.403
270 HD2 PRO 30 HD2 PRO 30 7.906 -7.760 -1.813
271 HD3 PRO 30 HD3 PRO 30 8.566 -8.948 -2.956
272 H ASN 31 H ASN 31 6.653 -5.943 -7.149
273 HA ASN 31 HA ASN 31 6.699 -3.166 -6.136
274 HB2 ASN 31 HB2 ASN 31 6.272 -4.270 -8.929
275 HB3 ASN 31 HB3 ASN 31 6.426 -2.561 -8.517
276 HD21 ASN 31 HD21 ASN 31 8.416 -3.580 -6.300
277 HD22 ASN 31 HD22 ASN 31 9.873 -3.733 -7.159
278 H LEU 32 H LEU 32 4.878 -2.044 -5.695
279 HA LEU 32 HA LEU 32 2.281 -3.444 -6.093
280 HB2 LEU 32 HB2 LEU 32 3.128 -2.712 -3.785
281 HB3 LEU 32 HB3 LEU 32 2.808 -1.061 -4.315
282 HG LEU 32 HG LEU 32 0.477 -2.076 -5.005
283 HD11 LEU 32 HD11 LEU 32 0.886 -3.747 -2.569
284 HD12 LEU 32 HD12 LEU 32 1.562 -4.357 -4.080
285 HD13 LEU 32 HD13 LEU 32 -0.164 -4.026 -3.957
286 HD21 LEU 32 HD21 LEU 32 -0.387 -1.416 -2.782
287 HD22 LEU 32 HD22 LEU 32 0.841 -0.281 -3.343
288 HD23 LEU 32 HD23 LEU 32 1.249 -1.491 -2.127
289 H HIS 33 H HIS 33 0.776 -2.586 -7.465
290 HA HIS 33 HA HIS 33 0.384 0.212 -7.889
291 HB2 HIS 33 HB2 HIS 33 1.893 0.675 -9.482
292 HB3 HIS 33 HB3 HIS 33 2.451 -0.998 -9.494
293 HD1 HIS 33 HD1 HIS 33 -0.606 0.899 -10.806
294 HD2 HIS 33 HD2 HIS 33 1.995 -2.156 -11.951
295 HE1 HIS 33 HE1 HIS 33 -1.332 0.169 -13.122
296 HE2 HIS 33 HE2 HIS 33 0.243 -1.690 -13.828
297 H GLY 34 H GLY 34 -1.781 0.192 -8.156
298 HA2 GLY 34 HA2 GLY 34 -3.810 -0.189 -9.307
299 HA3 GLY 34 HA3 GLY 34 -2.961 -1.306 -10.371
300 H ILE 35 H ILE 35 -2.517 -1.935 -6.995
301 HA ILE 35 HA ILE 35 -3.965 -4.448 -7.313
302 HB ILE 35 HB ILE 35 -3.259 -4.941 -5.026
303 HG12 ILE 35 HG12 ILE 35 -1.682 -2.488 -4.671
304 HG13 ILE 35 HG13 ILE 35 -3.409 -2.200 -4.612
305 HG21 ILE 35 HG21 ILE 35 -1.079 -5.288 -5.616
306 HG22 ILE 35 HG22 ILE 35 -0.832 -3.606 -6.092
307 HG23 ILE 35 HG23 ILE 35 -1.652 -4.720 -7.184
308 HD11 ILE 35 HD11 ILE 35 -2.179 -2.839 -2.415
309 HD12 ILE 35 HD12 ILE 35 -2.198 -4.476 -3.066
310 HD13 ILE 35 HD13 ILE 35 -3.715 -3.624 -2.776
311 H PHE 36 H PHE 36 -4.783 -1.302 -6.305
312 HA PHE 36 HA PHE 36 -6.662 -1.625 -4.285
313 HB2 PHE 36 HB2 PHE 36 -6.641 0.167 -6.707
314 HB3 PHE 36 HB3 PHE 36 -7.955 0.237 -5.536
315 HD1 PHE 36 HD2 PHE 36 -4.184 0.214 -5.635
316 HD2 PHE 36 HD1 PHE 36 -7.742 1.659 -3.699
317 HE1 PHE 36 HE2 PHE 36 -2.806 1.641 -4.152
318 HE2 PHE 36 HE1 PHE 36 -6.360 3.094 -2.228
319 HZ PHE 36 HZ PHE 36 -3.894 3.077 -2.448
320 H GLY 37 H GLY 37 -6.931 -2.611 -7.650
321 HA2 GLY 37 HA2 GLY 37 -9.729 -3.526 -7.121
322 HA3 GLY 37 HA3 GLY 37 -9.071 -3.213 -8.726
323 H ARG 38 H ARG 38 -7.149 -4.928 -6.346
324 HA ARG 38 HA ARG 38 -7.745 -7.494 -7.760
325 HB2 ARG 38 HB2 ARG 38 -5.013 -6.423 -7.013
326 HB3 ARG 38 HB3 ARG 38 -5.319 -8.049 -7.615
327 HG2 ARG 38 HG2 ARG 38 -6.214 -5.615 -9.160
328 HG3 ARG 38 HG3 ARG 38 -4.584 -6.264 -9.336
329 HD2 ARG 38 HD2 ARG 38 -5.656 -8.521 -9.819
330 HD3 ARG 38 HD3 ARG 38 -7.201 -7.676 -9.915
331 HE ARG 38 HE ARG 38 -5.113 -7.624 -11.932
332 HH11 ARG 38 HH21 ARG 38 -7.680 -5.897 -10.411
333 HH12 ARG 38 HH22 ARG 38 -8.007 -4.903 -11.791
334 HH21 ARG 38 HH11 ARG 38 -5.525 -6.335 -13.743
335 HH22 ARG 38 HH12 ARG 38 -6.787 -5.151 -13.678
336 H HIS 39 H HIS 39 -6.856 -9.403 -6.484
337 HA HIS 39 HA HIS 39 -7.673 -9.063 -3.675
338 HB2 HIS 39 HB2 HIS 39 -7.099 -11.431 -5.437
339 HB3 HIS 39 HB3 HIS 39 -7.207 -11.616 -3.688
340 HD1 HIS 39 HD1 HIS 39 -9.288 -9.595 -6.163
341 HD2 HIS 39 HD2 HIS 39 -9.801 -12.418 -3.145
342 HE1 HIS 39 HE1 HIS 39 -11.779 -9.987 -5.975
343 HE2 HIS 39 HE2 HIS 39 -12.107 -11.697 -4.127
344 H SER 40 H SER 40 -6.339 -9.790 -1.917
345 HA SER 40 HA SER 40 -3.678 -8.823 -1.992
346 HB2 SER 40 HB2 SER 40 -5.411 -9.716 -0.031
347 HB3 SER 40 HB3 SER 40 -4.130 -10.922 -0.002
348 HG SER 40 HG SER 40 -3.493 -9.259 1.315
349 H GLY 41 H GLY 41 -1.812 -9.728 -2.647
350 HA2 GLY 41 HA2 GLY 41 -0.262 -11.566 -2.806
351 HA3 GLY 41 HA3 GLY 41 -1.623 -12.681 -2.791
352 H GLN 42 H GLN 42 -2.492 -10.282 -4.905
353 HA GLN 42 HA GLN 42 -1.585 -11.969 -7.181
354 HB2 GLN 42 HB2 GLN 42 -3.701 -9.805 -7.017
355 HB3 GLN 42 HB3 GLN 42 -3.282 -10.689 -8.487
356 HG2 GLN 42 HG2 GLN 42 -3.836 -12.815 -7.386
357 HG3 GLN 42 HG3 GLN 42 -4.243 -11.948 -5.905
358 HE21 GLN 42 HE21 GLN 42 -6.211 -13.532 -7.232
359 HE22 GLN 42 HE22 GLN 42 -7.396 -12.501 -7.874
360 H ALA 43 H ALA 43 0.146 -11.326 -8.294
361 HA ALA 43 HA ALA 43 0.625 -8.415 -8.659
362 HB1 ALA 43 HB1 ALA 43 2.495 -8.480 -7.404
363 HB2 ALA 43 HB2 ALA 43 3.158 -9.701 -8.490
364 HB3 ALA 43 HB3 ALA 43 2.230 -10.193 -7.074
365 H GLU 44 H GLU 44 1.905 -7.958 -10.585
366 HA GLU 44 HA GLU 44 1.591 -10.087 -12.634
367 HB2 GLU 44 HB2 GLU 44 2.131 -7.113 -12.911
368 HB3 GLU 44 HB3 GLU 44 1.934 -8.233 -14.260
369 HG2 GLU 44 HG2 GLU 44 -0.338 -8.803 -13.423
370 HG3 GLU 44 HG3 GLU 44 -0.141 -7.611 -12.137
371 H GLY 45 H GLY 45 3.984 -8.032 -11.081
372 HA2 GLY 45 HA2 GLY 45 6.138 -9.005 -12.822
373 HA3 GLY 45 HA3 GLY 45 6.323 -7.889 -11.465
374 H TYR 46 H TYR 46 5.880 -8.952 -9.245
375 HA TYR 46 HA TYR 46 7.029 -11.707 -9.267
376 HB2 TYR 46 HB2 TYR 46 8.720 -10.340 -8.343
377 HB3 TYR 46 HB3 TYR 46 7.554 -9.368 -7.445
378 HD1 TYR 46 HD1 TYR 46 8.053 -13.078 -7.774
379 HD2 TYR 46 HD2 TYR 46 7.877 -9.678 -5.154
380 HE1 TYR 46 HE1 TYR 46 8.289 -14.575 -5.813
381 HE2 TYR 46 HE2 TYR 46 8.113 -11.178 -3.190
382 HH TYR 46 HH TYR 46 7.469 -14.059 -2.996
383 H SER 47 H SER 47 5.864 -13.255 -8.304
384 HA SER 47 HA SER 47 3.273 -12.678 -7.184
385 HB2 SER 47 HB2 SER 47 4.947 -15.200 -6.970
386 HB3 SER 47 HB3 SER 47 3.227 -15.077 -6.615
387 HG SER 47 HG SER 47 3.224 -15.688 -8.679
388 H TYR 48 H TYR 48 2.668 -12.567 -5.018
389 HA TYR 48 HA TYR 48 4.676 -11.703 -3.145
390 HB2 TYR 48 HB2 TYR 48 1.783 -12.480 -2.775
391 HB3 TYR 48 HB3 TYR 48 2.776 -11.743 -1.522
392 HD1 TYR 48 HD1 TYR 48 1.225 -11.219 -4.837
393 HD2 TYR 48 HD2 TYR 48 3.426 -9.424 -1.627
394 HE1 TYR 48 HE1 TYR 48 0.779 -8.973 -5.789
395 HE2 TYR 48 HE2 TYR 48 2.988 -7.177 -2.575
396 HH TYR 48 HH TYR 48 1.038 -6.209 -4.150
397 H THR 49 H THR 49 4.406 -12.794 -0.782
398 HA THR 49 HA THR 49 5.724 -15.344 -0.975
399 HB THR 49 HB THR 49 4.432 -14.069 1.453
400 HG1 THR 49 HG1 THR 49 6.476 -13.180 1.771
401 HG21 THR 49 HG21 THR 49 5.044 -16.030 2.395
402 HG22 THR 49 HG22 THR 49 6.703 -15.455 2.218
403 HG23 THR 49 HG23 THR 49 5.995 -16.500 0.986
404 H ASP 50 H ASP 50 4.936 -17.416 -0.411
405 HA ASP 50 HA ASP 50 2.375 -18.136 -1.281
406 HB2 ASP 50 HB2 ASP 50 4.205 -19.495 0.712
407 HB3 ASP 50 HB3 ASP 50 2.761 -20.247 0.038
408 H ALA 51 H ALA 51 3.419 -17.236 2.007
409 HA ALA 51 HA ALA 51 1.025 -17.977 3.359
410 HB1 ALA 51 HB1 ALA 51 3.389 -16.424 3.944
411 HB2 ALA 51 HB2 ALA 51 2.304 -17.247 5.064
412 HB3 ALA 51 HB3 ALA 51 1.959 -15.594 4.556
413 H ASN 52 H ASN 52 1.963 -14.739 2.175
414 HA ASN 52 HA ASN 52 -0.563 -13.514 2.590
415 HB2 ASN 52 HB2 ASN 52 1.476 -12.229 2.096
416 HB3 ASN 52 HB3 ASN 52 1.530 -12.921 0.474
417 HD21 ASN 52 HD21 ASN 52 1.404 -10.243 0.372
418 HD22 ASN 52 HD22 ASN 52 -0.166 -9.694 0.020
419 H ILE 53 H ILE 53 0.748 -15.215 -0.240
420 HA ILE 53 HA ILE 53 -1.529 -14.777 -1.921
421 HB ILE 53 HB ILE 53 0.521 -16.991 -1.958
422 HG12 ILE 53 HG12 ILE 53 0.327 -14.439 -3.585
423 HG13 ILE 53 HG13 ILE 53 1.367 -14.633 -2.176
424 HG21 ILE 53 HG21 ILE 53 -1.486 -16.079 -4.039
425 HG22 ILE 53 HG22 ILE 53 -1.475 -17.636 -3.211
426 HG23 ILE 53 HG23 ILE 53 -0.183 -17.229 -4.340
427 HD11 ILE 53 HD11 ILE 53 2.672 -16.323 -3.249
428 HD12 ILE 53 HD12 ILE 53 2.471 -15.045 -4.448
429 HD13 ILE 53 HD13 ILE 53 1.491 -16.508 -4.547
430 H LYS 54 H LYS 54 -0.789 -17.219 0.515
431 HA LYS 54 HA LYS 54 -2.789 -19.113 -0.120
432 HB2 LYS 54 HB2 LYS 54 -1.098 -19.440 1.666
433 HB3 LYS 54 HB3 LYS 54 -1.916 -18.217 2.636
434 HG2 LYS 54 HG2 LYS 54 -3.981 -19.578 2.600
435 HG3 LYS 54 HG3 LYS 54 -3.133 -20.819 1.675
436 HD2 LYS 54 HD2 LYS 54 -1.465 -20.983 3.548
437 HD3 LYS 54 HD3 LYS 54 -2.480 -19.882 4.482
438 HE2 LYS 54 HE2 LYS 54 -3.224 -21.989 5.198
439 HE3 LYS 54 HE3 LYS 54 -4.393 -21.573 3.944
440 HZ1 LYS 54 HZ1 LYS 54 -3.180 -23.874 3.941
441 HZ2 LYS 54 HZ2 LYS 54 -1.953 -22.995 3.164
442 HZ3 LYS 54 HZ3 LYS 54 -3.510 -23.065 2.488
443 H LYS 55 H LYS 55 -2.974 -16.104 1.733
444 HA LYS 55 HA LYS 55 -5.953 -16.348 1.734
445 HB2 LYS 55 HB2 LYS 55 -4.731 -16.037 3.947
446 HB3 LYS 55 HB3 LYS 55 -4.257 -14.442 3.368
447 HG2 LYS 55 HG2 LYS 55 -6.650 -13.864 3.045
448 HG3 LYS 55 HG3 LYS 55 -7.100 -15.439 3.701
449 HD2 LYS 55 HD2 LYS 55 -5.871 -14.858 5.804
450 HD3 LYS 55 HD3 LYS 55 -5.593 -13.243 5.149
451 HE2 LYS 55 HE2 LYS 55 -8.248 -13.385 4.772
452 HE3 LYS 55 HE3 LYS 55 -8.114 -14.474 6.153
453 HZ1 LYS 55 HZ1 LYS 55 -8.415 -11.983 6.589
454 HZ2 LYS 55 HZ2 LYS 55 -6.774 -11.846 6.168
455 HZ3 LYS 55 HZ3 LYS 55 -7.240 -12.816 7.483
456 H ASN 56 H ASN 56 -6.930 -15.124 0.183
457 HA ASN 56 HA ASN 56 -5.541 -12.620 -0.703
458 HB2 ASN 56 HB2 ASN 56 -7.376 -13.632 -2.677
459 HB3 ASN 56 HB3 ASN 56 -5.647 -13.332 -2.832
460 HD21 ASN 56 HD21 ASN 56 -4.787 -15.243 -3.692
461 HD22 ASN 56 HD22 ASN 56 -5.090 -16.797 -3.080
462 H VAL 57 H VAL 57 -6.737 -10.795 -0.518
463 HA VAL 57 HA VAL 57 -9.691 -11.064 -0.233
464 HB VAL 57 HB VAL 57 -7.915 -9.177 1.326
465 HG11 VAL 57 HG11 VAL 57 -10.638 -9.027 0.710
466 HG12 VAL 57 HG12 VAL 57 -9.811 -8.155 2.000
467 HG13 VAL 57 HG13 VAL 57 -10.595 -9.698 2.341
468 HG21 VAL 57 HG21 VAL 57 -7.544 -10.923 2.705
469 HG22 VAL 57 HG22 VAL 57 -8.616 -11.956 1.758
470 HG23 VAL 57 HG23 VAL 57 -9.273 -10.948 3.048
471 H LEU 58 H LEU 58 -10.878 -9.574 -1.395
472 HA LEU 58 HA LEU 58 -9.695 -8.119 -3.515
473 HB2 LEU 58 HB2 LEU 58 -12.095 -8.644 -3.458
474 HB3 LEU 58 HB3 LEU 58 -12.304 -7.558 -2.083
475 HG LEU 58 HG LEU 58 -11.480 -5.666 -3.490
476 HD11 LEU 58 HD11 LEU 58 -11.035 -7.919 -5.355
477 HD12 LEU 58 HD12 LEU 58 -10.208 -6.366 -5.248
478 HD13 LEU 58 HD13 LEU 58 -11.759 -6.486 -6.079
479 HD21 LEU 58 HD21 LEU 58 -13.501 -5.836 -5.170
480 HD22 LEU 58 HD22 LEU 58 -13.818 -5.738 -3.438
481 HD23 LEU 58 HD23 LEU 58 -13.886 -7.297 -4.261
482 H TRP 59 H TRP 59 -9.044 -5.956 -3.696
483 HA TRP 59 HA TRP 59 -8.511 -4.646 -1.096
484 HB2 TRP 59 HB2 TRP 59 -7.271 -4.488 -3.816
485 HB3 TRP 59 HB3 TRP 59 -7.048 -3.167 -2.673
486 HD1 TRP 59 HD1 TRP 59 -5.377 -6.175 -3.690
487 HE1 TRP 59 HE1 TRP 59 -3.839 -7.088 -1.836
488 HE3 TRP 59 HE3 TRP 59 -7.175 -3.565 0.315
489 HZ2 TRP 59 HZ2 TRP 59 -3.453 -6.778 0.976
490 HZ3 TRP 59 HZ3 TRP 59 -6.209 -3.901 2.568
491 HH2 TRP 59 HH2 TRP 59 -4.348 -5.514 2.901
492 H ASP 60 H ASP 60 -9.189 -2.579 -0.650
493 HA ASP 60 HA ASP 60 -10.718 -1.085 -2.701
494 HB2 ASP 60 HB2 ASP 60 -12.330 -2.525 -1.380
495 HB3 ASP 60 HB3 ASP 60 -11.837 -1.640 0.064
496 H GLU 61 H GLU 61 -10.988 1.212 -2.022
497 HA GLU 61 HA GLU 61 -8.635 2.313 -0.910
498 HB2 GLU 61 HB2 GLU 61 -11.428 3.497 -0.992
499 HB3 GLU 61 HB3 GLU 61 -9.952 4.412 -0.681
500 HG2 GLU 61 HG2 GLU 61 -9.068 3.707 -2.887
501 HG3 GLU 61 HG3 GLU 61 -10.576 2.847 -3.202
502 H ASN 62 H ASN 62 -11.705 1.447 0.639
503 HA ASN 62 HA ASN 62 -10.916 2.482 3.238
504 HB2 ASN 62 HB2 ASN 62 -13.091 0.528 2.436
505 HB3 ASN 62 HB3 ASN 62 -12.906 1.213 4.050
506 HD21 ASN 62 HD21 ASN 62 -15.265 1.704 2.505
507 HD22 ASN 62 HD22 ASN 62 -15.298 3.354 2.085
508 H ASN 63 H ASN 63 -11.003 -0.769 1.756
509 HA ASN 63 HA ASN 63 -10.106 -2.179 4.072
510 HB2 ASN 63 HB2 ASN 63 -9.785 -2.821 1.129
511 HB3 ASN 63 HB3 ASN 63 -9.452 -3.948 2.440
512 HD21 ASN 63 HD21 ASN 63 -11.457 -4.592 0.561
513 HD22 ASN 63 HD22 ASN 63 -12.982 -4.494 1.313
514 H MET 64 H MET 64 -8.327 -0.699 1.375
515 HA MET 64 HA MET 64 -5.746 -1.626 2.153
516 HB2 MET 64 HB2 MET 64 -6.646 0.789 0.581
517 HB3 MET 64 HB3 MET 64 -4.950 0.385 0.805
518 HG2 MET 64 HG2 MET 64 -5.564 -1.944 -0.092
519 HG3 MET 64 HG3 MET 64 -7.074 -1.209 -0.622
520 HE1 MET 64 HE1 MET 64 -2.839 -0.663 -2.147
521 HE2 MET 64 HE2 MET 64 -3.440 -1.607 -0.786
522 HE3 MET 64 HE3 MET 64 -3.198 0.130 -0.608
523 H SER 65 H SER 65 -7.636 1.197 3.167
524 HA SER 65 HA SER 65 -5.578 2.607 4.514
525 HB2 SER 65 HB2 SER 65 -8.466 2.336 5.399
526 HB3 SER 65 HB3 SER 65 -7.356 3.633 5.834
527 HG SER 65 HG SER 65 -8.064 4.552 4.086
528 H GLU 66 H GLU 66 -7.636 -0.077 5.633
529 HA GLU 66 HA GLU 66 -6.612 -0.122 8.315
530 HB2 GLU 66 HB2 GLU 66 -7.790 -2.345 6.617
531 HB3 GLU 66 HB3 GLU 66 -7.490 -2.462 8.351
532 HG2 GLU 66 HG2 GLU 66 -8.986 -0.512 8.720
533 HG3 GLU 66 HG3 GLU 66 -9.328 -0.471 6.990
534 H TYR 67 H TYR 67 -5.597 -1.705 5.306
535 HA TYR 67 HA TYR 67 -3.548 -3.334 6.479
536 HB2 TYR 67 HB2 TYR 67 -4.396 -3.681 4.180
537 HB3 TYR 67 HB3 TYR 67 -3.666 -2.154 3.689
538 HD1 TYR 67 HD1 TYR 67 -2.989 -5.630 4.737
539 HD2 TYR 67 HD2 TYR 67 -1.253 -1.889 3.524
540 HE1 TYR 67 HE1 TYR 67 -0.801 -6.748 4.413
541 HE2 TYR 67 HE2 TYR 67 0.932 -3.013 3.197
542 HH TYR 67 HH TYR 67 2.115 -4.939 3.796
543 H LEU 68 H LEU 68 -3.497 -0.069 5.063
544 HA LEU 68 HA LEU 68 -0.752 0.437 5.159
545 HB2 LEU 68 HB2 LEU 68 -3.204 2.102 5.366
546 HB3 LEU 68 HB3 LEU 68 -1.706 2.853 5.902
547 HG LEU 68 HG LEU 68 -0.665 2.152 3.712
548 HD11 LEU 68 HD11 LEU 68 -3.522 1.684 2.840
549 HD12 LEU 68 HD12 LEU 68 -2.454 0.364 3.318
550 HD13 LEU 68 HD13 LEU 68 -2.045 1.370 1.929
551 HD21 LEU 68 HD21 LEU 68 -1.396 4.430 3.973
552 HD22 LEU 68 HD22 LEU 68 -3.080 3.972 3.717
553 HD23 LEU 68 HD23 LEU 68 -1.930 3.887 2.382
554 H THR 69 H THR 69 -3.075 0.430 7.820
555 HA THR 69 HA THR 69 -1.563 1.652 9.831
556 HB THR 69 HB THR 69 -3.181 -0.888 10.177
557 HG1 THR 69 HG1 THR 69 -4.056 1.805 10.251
558 HG21 THR 69 HG21 THR 69 -2.780 -0.559 12.356
559 HG22 THR 69 HG22 THR 69 -3.508 1.043 12.244
560 HG23 THR 69 HG23 THR 69 -1.780 0.838 11.962
561 H ASN 70 H ASN 70 -1.314 -1.635 8.532
562 HA ASN 70 HA ASN 70 1.395 -1.832 9.752
563 HB2 ASN 70 HB2 ASN 70 -0.735 -3.988 9.882
564 HB3 ASN 70 HB3 ASN 70 0.945 -4.198 10.369
565 HD21 ASN 70 HD21 ASN 70 -1.136 -4.560 12.265
566 HD22 ASN 70 HD22 ASN 70 -1.068 -3.296 13.404
567 H HIS 71 H HIS 71 1.747 -4.556 8.821
568 HA HIS 71 HA HIS 71 1.547 -4.163 5.860
569 HB2 HIS 71 HB2 HIS 71 3.903 -4.452 7.500
570 HB3 HIS 71 HB3 HIS 71 3.771 -5.824 6.399
571 HD1 HIS 71 HD1 HIS 71 4.088 -2.070 6.432
572 HD2 HIS 71 HD2 HIS 71 4.078 -5.181 3.646
573 HE1 HIS 71 HE1 HIS 71 4.819 -1.062 4.223
574 H ALA 72 H ALA 72 0.424 -5.965 8.355
575 HA ALA 72 HA ALA 72 -0.144 -8.232 6.555
576 HB1 ALA 72 HB1 ALA 72 0.684 -9.921 8.103
577 HB2 ALA 72 HB2 ALA 72 1.178 -8.673 9.246
578 HB3 ALA 72 HB3 ALA 72 1.998 -8.821 7.692
579 H LYS 73 H LYS 73 -1.367 -6.016 8.540
580 HA LYS 73 HA LYS 73 -2.923 -7.417 10.460
581 HB2 LYS 73 HB2 LYS 73 -2.740 -4.934 10.353
582 HB3 LYS 73 HB3 LYS 73 -3.738 -4.945 8.898
583 HG2 LYS 73 HG2 LYS 73 -5.556 -6.049 10.186
584 HG3 LYS 73 HG3 LYS 73 -4.561 -5.950 11.639
585 HD2 LYS 73 HD2 LYS 73 -4.469 -3.463 11.341
586 HD3 LYS 73 HD3 LYS 73 -5.597 -3.623 9.995
587 HE2 LYS 73 HE2 LYS 73 -6.557 -5.066 12.324
588 HE3 LYS 73 HE3 LYS 73 -6.258 -3.372 12.712
589 HZ1 LYS 73 HZ1 LYS 73 -7.474 -3.436 10.216
590 HZ2 LYS 73 HZ2 LYS 73 -8.133 -2.874 11.678
591 HZ3 LYS 73 HZ3 LYS 73 -8.361 -4.490 11.207
592 H TYR 74 H TYR 74 -3.632 -6.642 7.051
593 HA TYR 74 HA TYR 74 -6.200 -8.029 7.137
594 HB2 TYR 74 HB2 TYR 74 -5.090 -6.151 5.458
595 HB3 TYR 74 HB3 TYR 74 -4.960 -7.624 4.496
596 HD1 TYR 74 HD1 TYR 74 -7.196 -9.206 4.827
597 HD2 TYR 74 HD2 TYR 74 -7.026 -4.923 5.106
598 HE1 TYR 74 HE1 TYR 74 -9.618 -9.075 4.313
599 HE2 TYR 74 HE2 TYR 74 -9.448 -4.793 4.590
600 HH TYR 74 HH TYR 74 -11.382 -6.051 4.527
601 H ILE 75 H ILE 75 -2.886 -8.805 6.301
602 HA ILE 75 HA ILE 75 -3.750 -11.620 5.756
603 HB ILE 75 HB ILE 75 -1.314 -11.340 4.474
604 HG12 ILE 75 HG12 ILE 75 -2.963 -8.900 3.788
605 HG13 ILE 75 HG13 ILE 75 -1.588 -8.839 4.891
606 HG21 ILE 75 HG21 ILE 75 -2.994 -12.551 3.392
607 HG22 ILE 75 HG22 ILE 75 -2.857 -11.108 2.389
608 HG23 ILE 75 HG23 ILE 75 -4.173 -11.248 3.553
609 HD11 ILE 75 HD11 ILE 75 -1.572 -9.639 1.973
610 HD12 ILE 75 HD12 ILE 75 -0.208 -9.923 3.054
611 HD13 ILE 75 HD13 ILE 75 -0.739 -8.275 2.718
612 HA PRO 76 HA PRO 76 -0.993 -11.433 9.504
613 HB2 PRO 76 HB2 PRO 76 -2.518 -13.915 10.066
614 HB3 PRO 76 HB3 PRO 76 -2.208 -12.521 11.116
615 HG2 PRO 76 HG2 PRO 76 -4.612 -12.987 10.025
616 HG3 PRO 76 HG3 PRO 76 -4.000 -11.350 10.320
617 HD2 PRO 76 HD2 PRO 76 -4.237 -12.834 7.737
618 HD3 PRO 76 HD3 PRO 76 -4.373 -11.091 8.058
619 H GLY 77 H GLY 77 0.876 -12.657 9.848
620 HA2 GLY 77 HA2 GLY 77 2.349 -14.519 9.601
621 HA3 GLY 77 HA3 GLY 77 1.159 -15.286 8.545
622 H THR 78 H THR 78 1.584 -12.062 7.684
623 HA THR 78 HA THR 78 3.217 -12.899 5.358
624 HB THR 78 HB THR 78 1.621 -10.373 5.859
625 HG1 THR 78 HG1 THR 78 0.782 -11.746 3.795
626 HG21 THR 78 HG21 THR 78 3.515 -9.905 4.400
627 HG22 THR 78 HG22 THR 78 2.043 -9.964 3.432
628 HG23 THR 78 HG23 THR 78 3.156 -11.332 3.429
629 H LYS 79 H LYS 79 5.064 -11.659 4.712
630 HA LYS 79 HA LYS 79 6.877 -10.976 6.768
631 HB2 LYS 79 HB2 LYS 79 6.805 -9.975 3.912
632 HB3 LYS 79 HB3 LYS 79 8.213 -9.925 4.971
633 HG2 LYS 79 HG2 LYS 79 8.102 -12.417 5.153
634 HG3 LYS 79 HG3 LYS 79 6.778 -12.407 3.985
635 HD2 LYS 79 HD2 LYS 79 8.325 -11.159 2.404
636 HD3 LYS 79 HD3 LYS 79 9.632 -11.500 3.536
637 HE2 LYS 79 HE2 LYS 79 8.194 -13.932 3.057
638 HE3 LYS 79 HE3 LYS 79 8.591 -13.201 1.500
639 HZ1 LYS 79 HZ1 LYS 79 10.286 -14.699 2.904
640 HZ2 LYS 79 HZ2 LYS 79 10.703 -13.160 3.491
641 HZ3 LYS 79 HZ3 LYS 79 10.782 -13.487 1.825
642 H MET 80 H MET 80 7.510 -8.962 7.652
643 HA MET 80 HA MET 80 5.855 -6.589 6.920
644 HB2 MET 80 HB2 MET 80 6.428 -7.564 9.737
645 HB3 MET 80 HB3 MET 80 5.643 -6.036 9.335
646 HG2 MET 80 HG2 MET 80 3.877 -7.334 8.112
647 HG3 MET 80 HG3 MET 80 4.620 -8.819 8.706
648 HE1 MET 80 HE1 MET 80 5.508 -7.663 11.860
649 HE2 MET 80 HE2 MET 80 5.286 -9.174 10.982
650 HE3 MET 80 HE3 MET 80 4.289 -8.829 12.392
651 H ALA 81 H ALA 81 6.932 -4.531 7.466
652 HA ALA 81 HA ALA 81 9.471 -4.322 8.696
653 HB1 ALA 81 HB1 ALA 81 10.568 -5.602 7.086
654 HB2 ALA 81 HB2 ALA 81 10.768 -3.979 6.431
655 HB3 ALA 81 HB3 ALA 81 9.520 -5.043 5.781
656 H PHE 82 H PHE 82 7.138 -2.713 8.541
657 HA PHE 82 HA PHE 82 8.141 -0.324 7.031
658 HB2 PHE 82 HB2 PHE 82 5.885 -1.104 6.321
659 HB3 PHE 82 HB3 PHE 82 5.309 -0.869 7.973
660 HD1 PHE 82 HD2 PHE 82 5.392 1.412 8.992
661 HD2 PHE 82 HD1 PHE 82 6.181 0.733 4.830
662 HE1 PHE 82 HE2 PHE 82 5.083 3.824 8.544
663 HE2 PHE 82 HE1 PHE 82 5.872 3.151 4.376
664 HZ PHE 82 HZ PHE 82 5.325 4.698 6.233
665 H GLY 83 H GLY 83 8.100 1.715 8.128
666 HA2 GLY 83 HA2 GLY 83 8.887 1.708 10.843
667 HA3 GLY 83 HA3 GLY 83 8.281 3.132 9.994
668 H GLY 84 H GLY 84 5.963 3.545 10.038
669 HA2 GLY 84 HA2 GLY 84 3.956 1.993 11.153
670 HA3 GLY 84 HA3 GLY 84 4.731 2.743 12.547
671 H LEU 85 H LEU 85 2.396 3.174 10.127
672 HA LEU 85 HA LEU 85 2.442 6.102 10.067
673 HB2 LEU 85 HB2 LEU 85 0.226 4.203 9.254
674 HB3 LEU 85 HB3 LEU 85 0.432 5.878 8.752
675 HG LEU 85 HG LEU 85 2.334 3.607 8.119
676 HD11 LEU 85 HD11 LEU 85 1.577 3.938 5.812
677 HD12 LEU 85 HD12 LEU 85 0.479 5.214 6.343
678 HD13 LEU 85 HD13 LEU 85 0.212 3.548 6.856
679 HD21 LEU 85 HD21 LEU 85 3.678 5.539 8.234
680 HD22 LEU 85 HD22 LEU 85 2.394 6.578 7.624
681 HD23 LEU 85 HD23 LEU 85 3.222 5.467 6.535
682 H LYS 86 H LYS 86 2.508 5.860 12.618
683 HA LYS 86 HA LYS 86 0.219 5.130 14.103
684 HB2 LYS 86 HB2 LYS 86 2.447 5.728 15.076
685 HB3 LYS 86 HB3 LYS 86 2.105 7.422 14.722
686 HG2 LYS 86 HG2 LYS 86 0.061 7.283 16.127
687 HG3 LYS 86 HG3 LYS 86 0.465 5.613 16.521
688 HD2 LYS 86 HD2 LYS 86 2.661 6.423 17.434
689 HD3 LYS 86 HD3 LYS 86 2.102 8.077 17.178
690 HE2 LYS 86 HE2 LYS 86 1.735 7.202 19.522
691 HE3 LYS 86 HE3 LYS 86 0.274 7.777 18.719
692 HZ1 LYS 86 HZ1 LYS 86 1.131 4.939 18.722
693 HZ2 LYS 86 HZ2 LYS 86 -0.362 5.567 18.208
694 HZ3 LYS 86 HZ3 LYS 86 0.050 5.589 19.857
695 H LYS 87 H LYS 87 0.966 8.156 12.423
696 HA LYS 87 HA LYS 87 -1.549 9.369 13.374
697 HB2 LYS 87 HB2 LYS 87 0.577 10.373 11.456
698 HB3 LYS 87 HB3 LYS 87 -0.822 11.311 11.984
699 HG2 LYS 87 HG2 LYS 87 -0.072 11.020 14.349
700 HG3 LYS 87 HG3 LYS 87 1.376 10.206 13.756
701 HD2 LYS 87 HD2 LYS 87 1.927 12.248 12.424
702 HD3 LYS 87 HD3 LYS 87 0.539 13.058 13.154
703 HE2 LYS 87 HE2 LYS 87 1.596 12.425 15.422
704 HE3 LYS 87 HE3 LYS 87 3.063 12.094 14.500
705 HZ1 LYS 87 HZ1 LYS 87 3.286 14.305 15.094
706 HZ2 LYS 87 HZ2 LYS 87 1.640 14.653 14.858
707 HZ3 LYS 87 HZ3 LYS 87 2.661 14.412 13.521
708 H GLU 88 H GLU 88 -3.421 9.384 12.198
709 HA GLU 88 HA GLU 88 -3.665 7.704 9.871
710 HB2 GLU 88 HB2 GLU 88 -5.974 8.355 9.850
711 HB3 GLU 88 HB3 GLU 88 -5.503 8.252 11.546
712 HG2 GLU 88 HG2 GLU 88 -5.061 10.731 11.500
713 HG3 GLU 88 HG3 GLU 88 -5.747 10.770 9.875
714 H LYS 89 H LYS 89 -2.798 11.009 10.322
715 HA LYS 89 HA LYS 89 -3.659 12.176 7.892
716 HB2 LYS 89 HB2 LYS 89 -2.509 13.333 9.838
717 HB3 LYS 89 HB3 LYS 89 -0.990 12.693 9.221
718 HG2 LYS 89 HG2 LYS 89 -1.419 13.806 7.046
719 HG3 LYS 89 HG3 LYS 89 -2.903 14.494 7.707
720 HD2 LYS 89 HD2 LYS 89 -1.540 15.588 9.499
721 HD3 LYS 89 HD3 LYS 89 -0.082 14.996 8.700
722 HE2 LYS 89 HE2 LYS 89 -0.336 16.416 6.881
723 HE3 LYS 89 HE3 LYS 89 -2.084 16.531 7.081
724 HZ1 LYS 89 HZ1 LYS 89 -0.173 17.653 9.046
725 HZ2 LYS 89 HZ2 LYS 89 -1.838 17.965 8.909
726 HZ3 LYS 89 HZ3 LYS 89 -0.762 18.550 7.732
727 H ASP 90 H ASP 90 -0.659 10.408 8.623
728 HA ASP 90 HA ASP 90 0.489 10.601 6.025
729 HB2 ASP 90 HB2 ASP 90 0.741 8.423 8.120
730 HB3 ASP 90 HB3 ASP 90 1.768 8.563 6.693
731 H ARG 91 H ARG 91 -1.611 8.094 7.456
732 HA ARG 91 HA ARG 91 -1.717 6.400 5.173
733 HB2 ARG 91 HB2 ARG 91 -3.846 6.932 7.269
734 HB3 ARG 91 HB3 ARG 91 -3.865 5.584 6.133
735 HG2 ARG 91 HG2 ARG 91 -1.659 4.843 7.046
736 HG3 ARG 91 HG3 ARG 91 -1.771 6.125 8.252
737 HD2 ARG 91 HD2 ARG 91 -3.720 3.832 7.893
738 HD3 ARG 91 HD3 ARG 91 -2.576 4.030 9.219
739 HE ARG 91 HE ARG 91 -4.393 6.293 8.938
740 HH11 ARG 91 HH21 ARG 91 -3.874 3.131 10.210
741 HH12 ARG 91 HH22 ARG 91 -5.010 3.321 11.504
742 HH21 ARG 91 HH11 ARG 91 -5.879 6.559 10.620
743 HH22 ARG 91 HH12 ARG 91 -6.144 5.261 11.736
744 H ASN 92 H ASN 92 -3.699 9.232 6.038
745 HA ASN 92 HA ASN 92 -5.522 8.956 3.836
746 HB2 ASN 92 HB2 ASN 92 -4.733 11.358 5.499
747 HB3 ASN 92 HB3 ASN 92 -6.035 11.368 4.315
748 HD21 ASN 92 HD21 ASN 92 -6.901 11.908 6.822
749 HD22 ASN 92 HD22 ASN 92 -7.657 10.565 7.532
750 H ASP 93 H ASP 93 -2.789 11.225 4.276
751 HA ASP 93 HA ASP 93 -2.873 12.240 1.611
752 HB2 ASP 93 HB2 ASP 93 -0.562 12.018 3.562
753 HB3 ASP 93 HB3 ASP 93 -0.499 12.934 2.055
754 H LEU 94 H LEU 94 -1.165 9.504 3.044
755 HA LEU 94 HA LEU 94 0.473 8.797 0.853
756 HB2 LEU 94 HB2 LEU 94 0.711 7.741 3.025
757 HB3 LEU 94 HB3 LEU 94 -0.911 7.075 2.923
758 HG LEU 94 HG LEU 94 -0.300 5.568 1.188
759 HD11 LEU 94 HD11 LEU 94 0.999 6.902 -0.289
760 HD12 LEU 94 HD12 LEU 94 2.104 5.656 0.282
761 HD13 LEU 94 HD13 LEU 94 2.181 7.281 0.966
762 HD21 LEU 94 HD21 LEU 94 0.688 5.298 3.623
763 HD22 LEU 94 HD22 LEU 94 2.229 5.541 2.799
764 HD23 LEU 94 HD23 LEU 94 1.187 4.195 2.339
765 H ILE 95 H ILE 95 -2.733 7.501 1.694
766 HA ILE 95 HA ILE 95 -3.046 6.002 -0.713
767 HB ILE 95 HB ILE 95 -5.125 7.121 1.180
768 HG12 ILE 95 HG12 ILE 95 -3.859 4.374 0.963
769 HG13 ILE 95 HG13 ILE 95 -3.425 5.588 2.164
770 HG21 ILE 95 HG21 ILE 95 -6.613 6.396 -0.342
771 HG22 ILE 95 HG22 ILE 95 -6.024 4.762 -0.038
772 HG23 ILE 95 HG23 ILE 95 -5.334 5.720 -1.348
773 HD11 ILE 95 HD11 ILE 95 -6.299 5.210 2.087
774 HD12 ILE 95 HD12 ILE 95 -5.194 5.052 3.453
775 HD13 ILE 95 HD13 ILE 95 -5.474 3.680 2.382
776 H THR 96 H THR 96 -3.799 9.349 0.104
777 HA THR 96 HA THR 96 -5.529 10.014 -1.992
778 HB THR 96 HB THR 96 -3.220 11.726 -1.036
779 HG1 THR 96 HG1 THR 96 -4.878 12.446 0.482
780 HG21 THR 96 HG21 THR 96 -5.976 12.377 -2.097
781 HG22 THR 96 HG22 THR 96 -4.456 12.601 -2.962
782 HG23 THR 96 HG23 THR 96 -4.802 13.560 -1.522
783 H TYR 97 H TYR 97 -1.991 9.727 -2.010
784 HA TYR 97 HA TYR 97 -1.727 10.486 -4.793
785 HB2 TYR 97 HB2 TYR 97 0.169 10.755 -3.306
786 HB3 TYR 97 HB3 TYR 97 0.142 9.039 -2.898
787 HD1 TYR 97 HD1 TYR 97 0.674 11.444 -5.700
788 HD2 TYR 97 HD2 TYR 97 1.194 7.433 -4.268
789 HE1 TYR 97 HE1 TYR 97 2.134 10.940 -7.643
790 HE2 TYR 97 HE2 TYR 97 2.648 6.923 -6.204
791 HH TYR 97 HH TYR 97 2.735 8.401 -8.876
792 H LEU 98 H LEU 98 -1.772 7.384 -3.048
793 HA LEU 98 HA LEU 98 -1.349 5.697 -5.299
794 HB2 LEU 98 HB2 LEU 98 -3.018 5.154 -2.826
795 HB3 LEU 98 HB3 LEU 98 -2.367 3.933 -3.919
796 HG LEU 98 HG LEU 98 -0.665 5.924 -2.392
797 HD11 LEU 98 HD11 LEU 98 -2.002 4.010 -1.129
798 HD12 LEU 98 HD12 LEU 98 -0.313 4.331 -0.738
799 HD13 LEU 98 HD13 LEU 98 -0.732 2.987 -1.799
800 HD21 LEU 98 HD21 LEU 98 -0.137 3.650 -4.282
801 HD22 LEU 98 HD22 LEU 98 1.041 4.028 -3.026
802 HD23 LEU 98 HD23 LEU 98 0.609 5.247 -4.223
803 H LYS 99 H LYS 99 -4.410 6.764 -3.803
804 HA LYS 99 HA LYS 99 -6.111 5.520 -5.730
805 HB2 LYS 99 HB2 LYS 99 -6.955 6.349 -3.582
806 HB3 LYS 99 HB3 LYS 99 -6.586 7.998 -4.067
807 HG2 LYS 99 HG2 LYS 99 -8.158 7.757 -5.990
808 HG3 LYS 99 HG3 LYS 99 -8.568 6.141 -5.412
809 HD2 LYS 99 HD2 LYS 99 -9.354 7.100 -3.279
810 HD3 LYS 99 HD3 LYS 99 -8.945 8.716 -3.855
811 HE2 LYS 99 HE2 LYS 99 -10.789 8.845 -5.176
812 HE3 LYS 99 HE3 LYS 99 -10.642 7.169 -5.703
813 HZ1 LYS 99 HZ1 LYS 99 -12.487 8.117 -3.959
814 HZ2 LYS 99 HZ2 LYS 99 -11.324 7.430 -2.928
815 HZ3 LYS 99 HZ3 LYS 99 -12.051 6.488 -4.140
816 H LYS 100 H LYS 100 -4.574 8.707 -5.632
817 HA LYS 100 HA LYS 100 -5.853 9.845 -7.906
818 HB2 LYS 100 HB2 LYS 100 -4.296 11.007 -6.262
819 HB3 LYS 100 HB3 LYS 100 -2.958 10.262 -7.127
820 HG2 LYS 100 HG2 LYS 100 -3.745 11.318 -9.230
821 HG3 LYS 100 HG3 LYS 100 -5.038 12.113 -8.329
822 HD2 LYS 100 HD2 LYS 100 -3.285 13.173 -6.873
823 HD3 LYS 100 HD3 LYS 100 -2.056 12.496 -7.942
824 HE2 LYS 100 HE2 LYS 100 -3.297 13.662 -9.858
825 HE3 LYS 100 HE3 LYS 100 -4.176 14.545 -8.609
826 HZ1 LYS 100 HZ1 LYS 100 -1.988 15.505 -9.580
827 HZ2 LYS 100 HZ2 LYS 100 -1.243 14.430 -8.496
828 HZ3 LYS 100 HZ3 LYS 100 -2.298 15.630 -7.918
829 H ALA 101 H ALA 101 -2.944 7.861 -7.613
830 HA ALA 101 HA ALA 101 -2.310 7.868 -10.429
831 HB1 ALA 101 HB1 ALA 101 -1.199 5.549 -9.543
832 HB2 ALA 101 HB2 ALA 101 -1.404 6.400 -8.013
833 HB3 ALA 101 HB3 ALA 101 -0.454 7.129 -9.307
834 H THR 102 H THR 102 -3.937 5.511 -8.305
835 HA THR 102 HA THR 102 -4.630 3.675 -10.392
836 HB THR 102 HB THR 102 -6.147 4.219 -7.818
837 HG1 THR 102 HG1 THR 102 -4.311 2.145 -8.103
838 HG21 THR 102 HG21 THR 102 -7.250 2.807 -9.604
839 HG22 THR 102 HG22 THR 102 -6.983 1.978 -8.070
840 HG23 THR 102 HG23 THR 102 -5.911 1.672 -9.435
841 H GLU 103 H GLU 103 -6.045 6.652 -9.199
842 HA GLU 103 HA GLU 103 -8.548 6.328 -10.670
843 HB2 GLU 103 HB2 GLU 103 -8.333 7.737 -8.609
844 HB3 GLU 103 HB3 GLU 103 -7.323 8.856 -9.526
845 HG2 GLU 103 HG2 GLU 103 -9.189 9.154 -11.152
846 HG3 GLU 103 HG3 GLU 103 -10.200 8.120 -10.142
847 HHA HEC 104 HA HEC 104 2.985 -6.942 0.867
848 HHB HEC 104 HB HEC 104 1.090 -0.897 0.720
849 HHC HEC 104 HC HEC 104 6.997 0.981 1.953
850 HHD HEC 104 HD HEC 104 8.886 -5.044 2.022
851 HMA1 HEC 104 1HMA HEC 104 -0.702 -2.131 0.706
852 HMA2 HEC 104 2HMA HEC 104 -1.244 -3.768 0.418
853 HMA3 HEC 104 3HMA HEC 104 -0.507 -2.849 -0.890
854 HAA1 HEC 104 1HAA HEC 104 0.871 -6.948 0.543
855 HAA2 HEC 104 2HAA HEC 104 -0.249 -6.049 1.542
856 HBA1 HEC 104 1HBA HEC 104 -0.460 -5.176 -1.202
857 HBA2 HEC 104 2HBA HEC 104 -1.696 -5.883 -0.164
858 HMB1 HEC 104 1HMB HEC 104 1.440 1.681 2.193
859 HMB2 HEC 104 2HMB HEC 104 2.123 2.682 0.915
860 HMB3 HEC 104 3HMB HEC 104 1.135 1.294 0.500
861 HAB HEC 104 HAB HEC 104 5.891 2.696 1.328
862 HBB1 HEC 104 1HBB HEC 104 3.446 3.171 2.706
863 HBB2 HEC 104 2HBB HEC 104 3.592 4.358 1.410
864 HBB3 HEC 104 3HBB HEC 104 4.867 4.211 2.616
865 HMC1 HEC 104 1HMC HEC 104 10.469 -0.191 2.890
866 HMC2 HEC 104 2HMC HEC 104 9.489 0.861 1.869
867 HMC3 HEC 104 3HMC HEC 104 8.994 0.530 3.530
868 HAC HEC 104 HAC HEC 104 10.603 -3.770 1.699
869 HBC1 HEC 104 1HBC HEC 104 10.572 -2.289 4.166
870 HBC2 HEC 104 2HBC HEC 104 11.602 -3.648 3.712
871 HBC3 HEC 104 3HBC HEC 104 12.099 -1.999 3.331
872 HMD1 HEC 104 1HMD HEC 104 8.535 -7.093 2.876
873 HMD2 HEC 104 2HMD HEC 104 8.698 -7.772 1.258
874 HMD3 HEC 104 3HMD HEC 104 7.647 -8.536 2.440
875 HAD1 HEC 104 1HAD HEC 104 4.468 -8.478 0.140
876 HAD2 HEC 104 2HAD HEC 104 4.592 -8.962 1.815
877 HBD1 HEC 104 1HBD HEC 104 6.529 -10.127 1.450
878 HBD2 HEC 104 2HBD HEC 104 7.103 -9.001 0.217
Start of MODEL 5
1 H1 THR -5 H1 THR -5 -18.512 3.962 1.294
2 H2 THR -5 H2 THR -5 -17.873 5.051 2.431
3 H3 THR -5 H3 THR -5 -18.041 3.408 2.827
4 HA THR -5 HA THR -5 -15.902 3.225 2.264
5 HB THR -5 HB THR -5 -17.003 2.092 0.392
6 HG1 THR -5 HG1 THR -5 -14.622 2.828 0.429
7 HG21 THR -5 HG21 THR -5 -17.710 4.772 -0.312
8 HG22 THR -5 HG22 THR -5 -18.254 3.268 -1.053
9 HG23 THR -5 HG23 THR -5 -16.802 4.069 -1.650
10 H GLU -4 H GLU -4 -16.378 5.876 3.047
11 HA GLU -4 HA GLU -4 -14.752 7.461 1.099
12 HB2 GLU -4 HB2 GLU -4 -16.595 8.410 3.315
13 HB3 GLU -4 HB3 GLU -4 -15.682 9.456 2.227
14 HG2 GLU -4 HG2 GLU -4 -16.869 8.443 0.293
15 HG3 GLU -4 HG3 GLU -4 -17.822 7.468 1.412
16 H PHE -3 H PHE -3 -13.012 8.751 1.979
17 HA PHE -3 HA PHE -3 -12.203 8.062 4.758
18 HB2 PHE -3 HB2 PHE -3 -9.908 7.666 4.044
19 HB3 PHE -3 HB3 PHE -3 -10.980 6.599 3.137
20 HD1 PHE -3 HD1 PHE -3 -11.540 7.089 0.768
21 HD2 PHE -3 HD2 PHE -3 -8.716 9.463 2.966
22 HE1 PHE -3 HE1 PHE -3 -10.703 8.059 -1.355
23 HE2 PHE -3 HE2 PHE -3 -7.878 10.433 0.844
24 HZ PHE -3 HZ PHE -3 -8.871 9.731 -1.314
25 H LYS -2 H LYS -2 -10.548 9.621 5.602
26 HA LYS -2 HA LYS -2 -11.215 12.340 4.692
27 HB2 LYS -2 HB2 LYS -2 -9.397 11.473 6.956
28 HB3 LYS -2 HB3 LYS -2 -10.076 13.080 6.707
29 HG2 LYS -2 HG2 LYS -2 -11.726 10.579 7.162
30 HG3 LYS -2 HG3 LYS -2 -11.324 11.747 8.419
31 HD2 LYS -2 HD2 LYS -2 -12.374 13.516 6.866
32 HD3 LYS -2 HD3 LYS -2 -13.054 12.151 5.978
33 HE2 LYS -2 HE2 LYS -2 -14.715 12.785 7.574
34 HE3 LYS -2 HE3 LYS -2 -13.968 11.317 8.203
35 HZ1 LYS -2 HZ1 LYS -2 -14.160 12.970 9.931
36 HZ2 LYS -2 HZ2 LYS -2 -13.302 14.100 8.998
37 HZ3 LYS -2 HZ3 LYS -2 -12.523 12.706 9.575
38 H ALA -1 H ALA -1 -9.795 13.718 3.664
39 HA ALA -1 HA ALA -1 -7.154 12.562 2.903
40 HB1 ALA -1 HB1 ALA -1 -7.336 13.598 0.839
41 HB2 ALA -1 HB2 ALA -1 -8.374 14.881 1.462
42 HB3 ALA -1 HB3 ALA -1 -9.034 13.270 1.180
43 H GLY 1 H GLY 1 -6.536 15.375 1.871
44 HA2 GLY 1 HA2 GLY 1 -6.496 17.359 3.795
45 HA3 GLY 1 HA3 GLY 1 -5.185 16.284 4.286
46 H SER 2 H SER 2 -3.384 16.003 2.823
47 HA SER 2 HA SER 2 -3.276 17.898 0.548
48 HB2 SER 2 HB2 SER 2 -0.739 18.108 1.514
49 HB3 SER 2 HB3 SER 2 -2.022 19.255 1.891
50 HG SER 2 HG SER 2 -0.702 17.641 3.537
51 H ALA 3 H ALA 3 -3.120 16.372 -1.055
52 HA ALA 3 HA ALA 3 -1.762 13.865 -0.800
53 HB1 ALA 3 HB1 ALA 3 -1.802 14.878 -3.526
54 HB2 ALA 3 HB2 ALA 3 -3.355 15.127 -2.727
55 HB3 ALA 3 HB3 ALA 3 -2.668 13.506 -2.834
56 H LYS 4 H LYS 4 -0.633 17.079 -1.401
57 HA LYS 4 HA LYS 4 1.726 16.612 -2.879
58 HB2 LYS 4 HB2 LYS 4 1.308 18.554 -0.585
59 HB3 LYS 4 HB3 LYS 4 2.574 18.664 -1.807
60 HG2 LYS 4 HG2 LYS 4 1.075 19.206 -3.512
61 HG3 LYS 4 HG3 LYS 4 -0.298 18.490 -2.668
62 HD2 LYS 4 HD2 LYS 4 1.117 20.839 -1.442
63 HD3 LYS 4 HD3 LYS 4 -0.035 21.111 -2.751
64 HE2 LYS 4 HE2 LYS 4 -1.730 19.782 -1.455
65 HE3 LYS 4 HE3 LYS 4 -0.586 19.709 -0.115
66 HZ1 LYS 4 HZ1 LYS 4 -0.537 22.165 -0.147
67 HZ2 LYS 4 HZ2 LYS 4 -2.067 21.530 0.234
68 HZ3 LYS 4 HZ3 LYS 4 -1.765 22.153 -1.317
69 H LYS 5 H LYS 5 1.301 16.583 0.683
70 HA LYS 5 HA LYS 5 3.989 15.740 1.223
71 HB2 LYS 5 HB2 LYS 5 1.463 15.481 2.861
72 HB3 LYS 5 HB3 LYS 5 3.083 15.168 3.473
73 HG2 LYS 5 HG2 LYS 5 3.725 17.501 2.856
74 HG3 LYS 5 HG3 LYS 5 2.054 17.799 2.378
75 HD2 LYS 5 HD2 LYS 5 1.325 17.191 4.688
76 HD3 LYS 5 HD3 LYS 5 3.021 17.034 5.147
77 HE2 LYS 5 HE2 LYS 5 2.896 19.520 3.890
78 HE3 LYS 5 HE3 LYS 5 1.408 19.444 4.834
79 HZ1 LYS 5 HZ1 LYS 5 4.094 19.747 5.727
80 HZ2 LYS 5 HZ2 LYS 5 3.348 18.417 6.476
81 HZ3 LYS 5 HZ3 LYS 5 2.646 19.960 6.584
82 H GLY 6 H GLY 6 0.929 13.976 0.877
83 HA2 GLY 6 HA2 GLY 6 1.988 11.387 1.489
84 HA3 GLY 6 HA3 GLY 6 0.508 11.687 0.582
85 H ALA 7 H ALA 7 1.785 13.231 -1.522
86 HA ALA 7 HA ALA 7 2.437 11.138 -3.322
87 HB1 ALA 7 HB1 ALA 7 3.289 14.041 -3.510
88 HB2 ALA 7 HB2 ALA 7 1.713 13.428 -4.008
89 HB3 ALA 7 HB3 ALA 7 3.171 12.898 -4.848
90 H THR 8 H THR 8 4.583 13.382 -1.568
91 HA THR 8 HA THR 8 6.975 12.066 -2.560
92 HB THR 8 HB THR 8 8.167 13.564 -1.101
93 HG1 THR 8 HG1 THR 8 6.732 13.230 0.699
94 HG21 THR 8 HG21 THR 8 5.703 14.816 -2.326
95 HG22 THR 8 HG22 THR 8 7.302 14.663 -3.053
96 HG23 THR 8 HG23 THR 8 7.054 15.757 -1.693
97 H LEU 9 H LEU 9 4.886 11.740 0.244
98 HA LEU 9 HA LEU 9 6.600 10.356 2.001
99 HB2 LEU 9 HB2 LEU 9 4.247 11.090 2.503
100 HB3 LEU 9 HB3 LEU 9 3.670 9.751 1.513
101 HG LEU 9 HG LEU 9 4.961 8.181 2.989
102 HD11 LEU 9 HD11 LEU 9 6.626 9.392 4.058
103 HD12 LEU 9 HD12 LEU 9 5.399 9.370 5.324
104 HD13 LEU 9 HD13 LEU 9 5.592 10.797 4.307
105 HD21 LEU 9 HD21 LEU 9 2.503 9.488 3.452
106 HD22 LEU 9 HD22 LEU 9 3.314 9.431 5.016
107 HD23 LEU 9 HD23 LEU 9 3.024 7.941 4.120
108 H PHE 10 H PHE 10 4.535 9.058 -0.594
109 HA PHE 10 HA PHE 10 5.349 6.329 -0.276
110 HB2 PHE 10 HB2 PHE 10 3.357 6.936 -1.581
111 HB3 PHE 10 HB3 PHE 10 4.364 7.799 -2.744
112 HD1 PHE 10 HD1 PHE 10 6.129 6.491 -4.038
113 HD2 PHE 10 HD2 PHE 10 3.011 4.589 -1.774
114 HE1 PHE 10 HE1 PHE 10 6.488 4.394 -5.308
115 HE2 PHE 10 HE2 PHE 10 3.372 2.486 -3.047
116 HZ PHE 10 HZ PHE 10 5.113 2.388 -4.818
117 H LYS 11 H LYS 11 6.544 8.975 -2.325
118 HA LYS 11 HA LYS 11 8.514 7.458 -3.690
119 HB2 LYS 11 HB2 LYS 11 8.462 10.406 -3.024
120 HB3 LYS 11 HB3 LYS 11 9.545 9.656 -4.192
121 HG2 LYS 11 HG2 LYS 11 7.583 8.850 -5.476
122 HG3 LYS 11 HG3 LYS 11 6.522 9.660 -4.325
123 HD2 LYS 11 HD2 LYS 11 6.804 11.120 -6.239
124 HD3 LYS 11 HD3 LYS 11 7.672 11.823 -4.875
125 HE2 LYS 11 HE2 LYS 11 9.192 9.956 -6.638
126 HE3 LYS 11 HE3 LYS 11 8.813 11.552 -7.284
127 HZ1 LYS 11 HZ1 LYS 11 10.754 10.832 -5.362
128 HZ2 LYS 11 HZ2 LYS 11 9.659 11.935 -4.677
129 HZ3 LYS 11 HZ3 LYS 11 10.494 12.336 -6.102
130 H THR 12 H THR 12 8.636 9.180 -0.603
131 HA THR 12 HA THR 12 11.509 8.574 -0.343
132 HB THR 12 HB THR 12 11.385 9.947 1.671
133 HG1 THR 12 HG1 THR 12 9.119 10.950 1.836
134 HG21 THR 12 HG21 THR 12 9.697 11.620 -0.038
135 HG22 THR 12 HG22 THR 12 10.992 10.811 -0.921
136 HG23 THR 12 HG23 THR 12 11.376 11.850 0.451
137 H ARG 13 H ARG 13 8.868 6.692 0.123
138 HA ARG 13 HA ARG 13 10.236 5.275 2.358
139 HB2 ARG 13 HB2 ARG 13 7.306 6.016 2.294
140 HB3 ARG 13 HB3 ARG 13 8.005 4.855 3.418
141 HG2 ARG 13 HG2 ARG 13 9.611 6.650 4.160
142 HG3 ARG 13 HG3 ARG 13 8.703 7.791 3.168
143 HD2 ARG 13 HD2 ARG 13 6.632 7.147 4.447
144 HD3 ARG 13 HD3 ARG 13 7.656 6.189 5.517
145 HE ARG 13 HE ARG 13 7.360 9.055 5.614
146 HH11 ARG 13 HH21 ARG 13 9.591 6.446 5.921
147 HH12 ARG 13 HH22 ARG 13 10.640 7.296 7.006
148 HH21 ARG 13 HH11 ARG 13 8.716 10.181 7.029
149 HH22 ARG 13 HH12 ARG 13 10.144 9.411 7.634
150 H CYS 14 H CYS 14 7.187 4.838 0.513
151 HA CYS 14 HA CYS 14 7.526 1.986 0.415
152 HB2 CYS 14 HB2 CYS 14 5.904 3.416 -1.638
153 HB3 CYS 14 HB3 CYS 14 5.538 1.928 -0.774
154 H LEU 15 H LEU 15 8.548 4.562 -1.762
155 HA LEU 15 HA LEU 15 9.031 3.014 -4.068
156 HB2 LEU 15 HB2 LEU 15 9.236 5.433 -4.079
157 HB3 LEU 15 HB3 LEU 15 10.651 5.346 -3.029
158 HG LEU 15 HG LEU 15 11.845 4.050 -4.770
159 HD11 LEU 15 HD11 LEU 15 9.148 4.198 -6.042
160 HD12 LEU 15 HD12 LEU 15 10.320 2.880 -6.042
161 HD13 LEU 15 HD13 LEU 15 10.557 4.271 -7.100
162 HD21 LEU 15 HD21 LEU 15 12.331 6.324 -4.985
163 HD22 LEU 15 HD22 LEU 15 10.667 6.743 -5.394
164 HD23 LEU 15 HD23 LEU 15 11.697 5.951 -6.587
165 H GLN 16 H GLN 16 11.030 3.392 -1.167
166 HA GLN 16 HA GLN 16 13.412 2.227 -2.090
167 HB2 GLN 16 HB2 GLN 16 13.012 3.223 0.193
168 HB3 GLN 16 HB3 GLN 16 12.197 1.722 0.638
169 HG2 GLN 16 HG2 GLN 16 14.266 0.468 0.013
170 HG3 GLN 16 HG3 GLN 16 15.072 2.010 -0.276
171 HE21 GLN 16 HE21 GLN 16 16.211 2.780 1.503
172 HE22 GLN 16 HE22 GLN 16 15.856 2.417 3.123
173 H CYS 17 H CYS 17 10.464 0.589 -0.925
174 HA CYS 17 HA CYS 17 11.697 -2.013 -1.719
175 HB2 CYS 17 HB2 CYS 17 9.315 -1.377 0.032
176 HB3 CYS 17 HB3 CYS 17 9.798 -3.009 -0.413
177 H HIS 18 H HIS 18 8.826 -0.016 -2.181
178 HA HIS 18 HA HIS 18 7.877 -1.920 -4.249
179 HB2 HIS 18 HB2 HIS 18 6.550 0.490 -2.999
180 HB3 HIS 18 HB3 HIS 18 5.814 -0.535 -4.228
181 HD1 HIS 18 HD1 HIS 18 5.742 -3.204 -3.504
182 HD2 HIS 18 HD2 HIS 18 6.078 -0.390 -0.445
183 HE1 HIS 18 HE1 HIS 18 4.957 -4.348 -1.380
184 H THR 19 H THR 19 7.048 -1.073 -6.233
185 HA THR 19 HA THR 19 8.153 1.535 -7.130
186 HB THR 19 HB THR 19 8.257 -0.913 -8.888
187 HG1 THR 19 HG1 THR 19 10.533 0.144 -7.654
188 HG21 THR 19 HG21 THR 19 8.363 1.603 -9.652
189 HG22 THR 19 HG22 THR 19 9.466 0.420 -10.356
190 HG23 THR 19 HG23 THR 19 10.026 1.494 -9.074
191 H VAL 20 H VAL 20 6.425 2.668 -7.979
192 HA VAL 20 HA VAL 20 3.837 1.440 -8.245
193 HB VAL 20 HB VAL 20 3.120 3.590 -9.179
194 HG11 VAL 20 HG11 VAL 20 3.447 4.793 -7.238
195 HG12 VAL 20 HG12 VAL 20 5.173 4.431 -7.179
196 HG13 VAL 20 HG13 VAL 20 3.998 3.213 -6.682
197 HG21 VAL 20 HG21 VAL 20 4.609 4.511 -10.634
198 HG22 VAL 20 HG22 VAL 20 5.991 3.749 -9.846
199 HG23 VAL 20 HG23 VAL 20 5.314 5.242 -9.193
200 H GLU 21 H GLU 21 6.517 1.250 -10.270
201 HA GLU 21 HA GLU 21 5.183 1.321 -12.836
202 HB2 GLU 21 HB2 GLU 21 7.681 1.500 -12.493
203 HB3 GLU 21 HB3 GLU 21 7.691 -0.218 -12.094
204 HG2 GLU 21 HG2 GLU 21 6.662 -0.705 -14.312
205 HG3 GLU 21 HG3 GLU 21 6.779 1.009 -14.712
206 H LYS 22 H LYS 22 4.193 -0.399 -13.949
207 HA LYS 22 HA LYS 22 2.952 -2.459 -12.481
208 HB2 LYS 22 HB2 LYS 22 3.688 -2.393 -15.424
209 HB3 LYS 22 HB3 LYS 22 2.596 -3.572 -14.699
210 HG2 LYS 22 HG2 LYS 22 1.167 -1.681 -13.892
211 HG3 LYS 22 HG3 LYS 22 2.217 -0.564 -14.766
212 HD2 LYS 22 HD2 LYS 22 1.718 -1.795 -16.875
213 HD3 LYS 22 HD3 LYS 22 0.597 -2.822 -15.981
214 HE2 LYS 22 HE2 LYS 22 -0.995 -1.195 -15.853
215 HE3 LYS 22 HE3 LYS 22 0.194 0.085 -15.613
216 HZ1 LYS 22 HZ1 LYS 22 0.405 0.433 -17.818
217 HZ2 LYS 22 HZ2 LYS 22 -1.167 -0.211 -17.858
218 HZ3 LYS 22 HZ3 LYS 22 0.168 -1.197 -18.226
219 H GLY 23 H GLY 23 6.119 -2.334 -13.965
220 HA2 GLY 23 HA2 GLY 23 6.703 -5.019 -12.781
221 HA3 GLY 23 HA3 GLY 23 7.321 -4.567 -14.371
222 H GLY 24 H GLY 24 8.201 -4.773 -11.198
223 HA2 GLY 24 HA2 GLY 24 10.267 -2.632 -11.537
224 HA3 GLY 24 HA3 GLY 24 9.509 -2.953 -9.978
225 HA PRO 25 HA PRO 25 13.382 -5.659 -10.912
226 HB2 PRO 25 HB2 PRO 25 15.033 -4.393 -9.071
227 HB3 PRO 25 HB3 PRO 25 15.037 -4.090 -10.817
228 HG2 PRO 25 HG2 PRO 25 13.793 -2.524 -8.627
229 HG3 PRO 25 HG3 PRO 25 14.543 -1.970 -10.132
230 HD2 PRO 25 HD2 PRO 25 11.840 -2.053 -9.788
231 HD3 PRO 25 HD3 PRO 25 12.612 -2.286 -11.373
232 H HIS 26 H HIS 26 11.663 -4.488 -8.114
233 HA HIS 26 HA HIS 26 11.178 -5.507 -6.053
234 HB2 HIS 26 HB2 HIS 26 12.018 -8.063 -7.454
235 HB3 HIS 26 HB3 HIS 26 10.949 -7.918 -6.069
236 HD1 HIS 26 HD1 HIS 26 8.786 -6.154 -6.688
237 HD2 HIS 26 HD2 HIS 26 10.572 -8.362 -9.731
238 HE1 HIS 26 HE1 HIS 26 7.102 -6.252 -8.585
239 HE2 HIS 26 HE2 HIS 26 8.189 -7.583 -10.453
240 H LYS 27 H LYS 27 13.801 -4.424 -6.327
241 HA LYS 27 HA LYS 27 15.939 -6.146 -5.681
242 HB2 LYS 27 HB2 LYS 27 15.468 -3.353 -4.593
243 HB3 LYS 27 HB3 LYS 27 17.021 -4.172 -4.752
244 HG2 LYS 27 HG2 LYS 27 16.637 -4.313 -7.217
245 HG3 LYS 27 HG3 LYS 27 15.173 -3.353 -6.995
246 HD2 LYS 27 HD2 LYS 27 16.565 -1.554 -5.954
247 HD3 LYS 27 HD3 LYS 27 18.006 -2.497 -6.335
248 HE2 LYS 27 HE2 LYS 27 17.232 -2.482 -8.759
249 HE3 LYS 27 HE3 LYS 27 16.027 -1.288 -8.278
250 HZ1 LYS 27 HZ1 LYS 27 17.558 0.302 -8.204
251 HZ2 LYS 27 HZ2 LYS 27 18.606 -0.773 -9.000
252 HZ3 LYS 27 HZ3 LYS 27 18.636 -0.650 -7.305
253 H VAL 28 H VAL 28 13.725 -4.407 -3.508
254 HA VAL 28 HA VAL 28 14.745 -5.983 -1.212
255 HB VAL 28 HB VAL 28 12.504 -4.019 -0.970
256 HG11 VAL 28 HG11 VAL 28 14.948 -4.696 0.694
257 HG12 VAL 28 HG12 VAL 28 13.297 -5.233 1.009
258 HG13 VAL 28 HG13 VAL 28 13.709 -3.524 1.146
259 HG21 VAL 28 HG21 VAL 28 13.837 -2.613 -2.254
260 HG22 VAL 28 HG22 VAL 28 15.326 -3.430 -1.783
261 HG23 VAL 28 HG23 VAL 28 14.528 -2.332 -0.657
262 H GLY 29 H GLY 29 11.427 -5.002 -2.060
263 HA2 GLY 29 HA2 GLY 29 10.597 -7.859 -1.731
264 HA3 GLY 29 HA3 GLY 29 9.675 -6.542 -1.000
265 HA PRO 30 HA PRO 30 8.163 -7.684 -5.378
266 HB2 PRO 30 HB2 PRO 30 5.553 -7.594 -4.016
267 HB3 PRO 30 HB3 PRO 30 6.220 -8.838 -5.082
268 HG2 PRO 30 HG2 PRO 30 5.933 -9.072 -2.364
269 HG3 PRO 30 HG3 PRO 30 7.032 -10.030 -3.360
270 HD2 PRO 30 HD2 PRO 30 7.665 -7.912 -1.430
271 HD3 PRO 30 HD3 PRO 30 8.739 -9.125 -2.156
272 H ASN 31 H ASN 31 7.288 -6.096 -6.758
273 HA ASN 31 HA ASN 31 6.764 -3.469 -5.460
274 HB2 ASN 31 HB2 ASN 31 7.218 -3.990 -8.403
275 HB3 ASN 31 HB3 ASN 31 7.362 -2.466 -7.533
276 HD21 ASN 31 HD21 ASN 31 8.837 -3.365 -5.251
277 HD22 ASN 31 HD22 ASN 31 10.378 -3.851 -5.770
278 H LEU 32 H LEU 32 4.709 -2.691 -5.418
279 HA LEU 32 HA LEU 32 2.669 -4.130 -7.030
280 HB2 LEU 32 HB2 LEU 32 1.773 -2.205 -4.991
281 HB3 LEU 32 HB3 LEU 32 1.238 -3.848 -5.309
282 HG LEU 32 HG LEU 32 3.691 -3.003 -3.769
283 HD11 LEU 32 HD11 LEU 32 1.703 -2.912 -2.427
284 HD12 LEU 32 HD12 LEU 32 2.527 -4.415 -2.005
285 HD13 LEU 32 HD13 LEU 32 1.123 -4.448 -3.076
286 HD21 LEU 32 HD21 LEU 32 4.623 -4.949 -4.452
287 HD22 LEU 32 HD22 LEU 32 3.134 -5.462 -5.245
288 HD23 LEU 32 HD23 LEU 32 3.369 -5.767 -3.525
289 H HIS 33 H HIS 33 0.806 -2.781 -7.717
290 HA HIS 33 HA HIS 33 0.824 0.017 -8.035
291 HB2 HIS 33 HB2 HIS 33 2.773 -0.176 -9.450
292 HB3 HIS 33 HB3 HIS 33 2.073 -1.533 -10.331
293 HD1 HIS 33 HD1 HIS 33 0.662 -0.984 -12.341
294 HD2 HIS 33 HD2 HIS 33 1.287 2.354 -9.918
295 HE1 HIS 33 HE1 HIS 33 -0.319 0.997 -13.580
296 HE2 HIS 33 HE2 HIS 33 0.056 3.033 -12.114
297 H GLY 34 H GLY 34 -1.369 0.100 -8.011
298 HA2 GLY 34 HA2 GLY 34 -3.453 0.021 -9.243
299 HA3 GLY 34 HA3 GLY 34 -2.821 -1.347 -10.162
300 H ILE 35 H ILE 35 -2.039 -1.736 -6.913
301 HA ILE 35 HA ILE 35 -3.579 -4.063 -6.532
302 HB ILE 35 HB ILE 35 -2.670 -2.104 -4.412
303 HG12 ILE 35 HG12 ILE 35 -0.758 -2.815 -5.707
304 HG13 ILE 35 HG13 ILE 35 -0.746 -3.713 -4.188
305 HG21 ILE 35 HG21 ILE 35 -3.380 -5.042 -4.243
306 HG22 ILE 35 HG22 ILE 35 -4.339 -3.710 -3.596
307 HG23 ILE 35 HG23 ILE 35 -2.751 -4.064 -2.916
308 HD11 ILE 35 HD11 ILE 35 -1.427 -4.684 -6.951
309 HD12 ILE 35 HD12 ILE 35 -2.112 -5.497 -5.543
310 HD13 ILE 35 HD13 ILE 35 -0.364 -5.411 -5.747
311 H PHE 36 H PHE 36 -4.394 -0.695 -6.008
312 HA PHE 36 HA PHE 36 -6.712 -0.899 -4.457
313 HB2 PHE 36 HB2 PHE 36 -6.076 0.879 -6.824
314 HB3 PHE 36 HB3 PHE 36 -7.516 1.091 -5.831
315 HD1 PHE 36 HD1 PHE 36 -3.759 0.872 -5.595
316 HD2 PHE 36 HD2 PHE 36 -7.416 2.317 -3.838
317 HE1 PHE 36 HE1 PHE 36 -2.462 2.187 -3.943
318 HE2 PHE 36 HE2 PHE 36 -6.112 3.633 -2.199
319 HZ PHE 36 HZ PHE 36 -3.634 3.562 -2.246
320 H GLY 37 H GLY 37 -8.565 -2.060 -4.779
321 HA2 GLY 37 HA2 GLY 37 -10.413 -2.975 -5.941
322 HA3 GLY 37 HA3 GLY 37 -9.797 -2.237 -7.421
323 H ARG 38 H ARG 38 -7.717 -4.254 -5.465
324 HA ARG 38 HA ARG 38 -8.091 -6.518 -7.370
325 HB2 ARG 38 HB2 ARG 38 -6.141 -5.043 -8.049
326 HB3 ARG 38 HB3 ARG 38 -5.386 -5.451 -6.511
327 HG2 ARG 38 HG2 ARG 38 -4.543 -6.910 -8.305
328 HG3 ARG 38 HG3 ARG 38 -5.437 -7.847 -7.115
329 HD2 ARG 38 HD2 ARG 38 -5.888 -8.144 -9.721
330 HD3 ARG 38 HD3 ARG 38 -7.204 -8.249 -8.555
331 HE ARG 38 HE ARG 38 -8.016 -6.153 -9.340
332 HH11 ARG 38 HH21 ARG 38 -4.898 -6.960 -10.570
333 HH12 ARG 38 HH22 ARG 38 -4.893 -5.699 -11.757
334 HH21 ARG 38 HH11 ARG 38 -8.028 -4.502 -10.884
335 HH22 ARG 38 HH12 ARG 38 -6.665 -4.307 -11.935
336 H HIS 39 H HIS 39 -7.052 -8.562 -6.466
337 HA HIS 39 HA HIS 39 -7.590 -8.680 -3.572
338 HB2 HIS 39 HB2 HIS 39 -7.186 -10.689 -5.752
339 HB3 HIS 39 HB3 HIS 39 -6.888 -11.185 -4.087
340 HD1 HIS 39 HD1 HIS 39 -9.638 -9.855 -6.312
341 HD2 HIS 39 HD2 HIS 39 -9.199 -11.450 -2.491
342 HE1 HIS 39 HE1 HIS 39 -11.979 -10.278 -5.443
343 HE2 HIS 39 HE2 HIS 39 -11.722 -11.249 -3.114
344 H SER 40 H SER 40 -6.047 -9.120 -2.009
345 HA SER 40 HA SER 40 -3.392 -8.209 -2.492
346 HB2 SER 40 HB2 SER 40 -4.719 -8.425 -0.259
347 HB3 SER 40 HB3 SER 40 -4.085 -10.066 -0.233
348 HG SER 40 HG SER 40 -2.730 -7.603 -0.112
349 H GLY 41 H GLY 41 -1.494 -9.301 -2.865
350 HA2 GLY 41 HA2 GLY 41 -0.120 -11.279 -2.987
351 HA3 GLY 41 HA3 GLY 41 -1.584 -12.259 -3.026
352 H GLN 42 H GLN 42 -2.225 -9.777 -5.074
353 HA GLN 42 HA GLN 42 -1.339 -11.407 -7.411
354 HB2 GLN 42 HB2 GLN 42 -3.493 -9.288 -7.135
355 HB3 GLN 42 HB3 GLN 42 -3.060 -10.071 -8.657
356 HG2 GLN 42 HG2 GLN 42 -3.611 -12.265 -7.717
357 HG3 GLN 42 HG3 GLN 42 -3.987 -11.522 -6.162
358 HE21 GLN 42 HE21 GLN 42 -5.981 -13.000 -7.571
359 HE22 GLN 42 HE22 GLN 42 -7.180 -11.923 -8.103
360 H ALA 43 H ALA 43 0.478 -10.680 -8.383
361 HA ALA 43 HA ALA 43 0.793 -7.763 -8.805
362 HB1 ALA 43 HB1 ALA 43 3.388 -8.549 -8.280
363 HB2 ALA 43 HB2 ALA 43 2.468 -9.433 -7.063
364 HB3 ALA 43 HB3 ALA 43 2.348 -7.675 -7.156
365 H GLU 44 H GLU 44 2.028 -7.269 -10.670
366 HA GLU 44 HA GLU 44 2.269 -9.513 -12.576
367 HB2 GLU 44 HB2 GLU 44 2.604 -6.519 -12.945
368 HB3 GLU 44 HB3 GLU 44 2.665 -7.711 -14.243
369 HG2 GLU 44 HG2 GLU 44 0.358 -8.430 -13.665
370 HG3 GLU 44 HG3 GLU 44 0.298 -7.176 -12.426
371 H GLY 45 H GLY 45 4.299 -7.009 -11.069
372 HA2 GLY 45 HA2 GLY 45 6.721 -7.674 -12.422
373 HA3 GLY 45 HA3 GLY 45 6.630 -6.881 -10.846
374 H TYR 46 H TYR 46 5.688 -8.634 -9.113
375 HA TYR 46 HA TYR 46 6.972 -11.252 -9.578
376 HB2 TYR 46 HB2 TYR 46 8.814 -10.190 -8.557
377 HB3 TYR 46 HB3 TYR 46 7.784 -9.281 -7.451
378 HD1 TYR 46 HD1 TYR 46 7.875 -12.931 -8.344
379 HD2 TYR 46 HD2 TYR 46 8.271 -9.958 -5.270
380 HE1 TYR 46 HE1 TYR 46 8.089 -14.719 -6.642
381 HE2 TYR 46 HE2 TYR 46 8.487 -11.748 -3.563
382 HH TYR 46 HH TYR 46 8.660 -13.936 -3.212
383 H SER 47 H SER 47 5.999 -12.923 -8.481
384 HA SER 47 HA SER 47 3.376 -12.437 -7.384
385 HB2 SER 47 HB2 SER 47 5.134 -14.905 -7.272
386 HB3 SER 47 HB3 SER 47 3.433 -14.860 -6.821
387 HG SER 47 HG SER 47 2.909 -14.369 -8.922
388 H TYR 48 H TYR 48 2.753 -12.310 -5.251
389 HA TYR 48 HA TYR 48 4.638 -11.437 -3.293
390 HB2 TYR 48 HB2 TYR 48 1.802 -12.442 -3.079
391 HB3 TYR 48 HB3 TYR 48 2.705 -11.834 -1.698
392 HD1 TYR 48 HD2 TYR 48 1.415 -10.920 -5.068
393 HD2 TYR 48 HD1 TYR 48 3.032 -9.513 -1.349
394 HE1 TYR 48 HE2 TYR 48 0.847 -8.590 -5.700
395 HE2 TYR 48 HE1 TYR 48 2.472 -7.184 -1.982
396 HH TYR 48 HH TYR 48 0.406 -6.265 -3.948
397 H THR 49 H THR 49 4.349 -12.673 -0.980
398 HA THR 49 HA THR 49 5.859 -15.127 -1.264
399 HB THR 49 HB THR 49 4.475 -14.022 1.201
400 HG1 THR 49 HG1 THR 49 7.042 -13.564 0.092
401 HG21 THR 49 HG21 THR 49 5.233 -16.383 1.345
402 HG22 THR 49 HG22 THR 49 6.150 -15.324 2.416
403 HG23 THR 49 HG23 THR 49 6.858 -15.869 0.895
404 H ASP 50 H ASP 50 5.137 -17.264 -0.847
405 HA ASP 50 HA ASP 50 2.607 -18.019 -1.758
406 HB2 ASP 50 HB2 ASP 50 4.450 -19.405 0.207
407 HB3 ASP 50 HB3 ASP 50 3.030 -20.168 -0.504
408 H ALA 51 H ALA 51 3.596 -17.218 1.564
409 HA ALA 51 HA ALA 51 1.154 -18.032 2.822
410 HB1 ALA 51 HB1 ALA 51 2.059 -17.142 4.730
411 HB2 ALA 51 HB2 ALA 51 2.570 -15.663 3.918
412 HB3 ALA 51 HB3 ALA 51 3.529 -17.134 3.755
413 H ASN 52 H ASN 52 2.226 -14.813 1.701
414 HA ASN 52 HA ASN 52 -0.205 -13.448 2.293
415 HB2 ASN 52 HB2 ASN 52 1.874 -12.258 1.747
416 HB3 ASN 52 HB3 ASN 52 1.828 -12.906 0.109
417 HD21 ASN 52 HD21 ASN 52 1.835 -10.315 -0.164
418 HD22 ASN 52 HD22 ASN 52 0.289 -9.628 -0.331
419 H ILE 53 H ILE 53 0.870 -15.121 -0.653
420 HA ILE 53 HA ILE 53 -1.424 -14.475 -2.230
421 HB ILE 53 HB ILE 53 0.405 -16.873 -2.401
422 HG12 ILE 53 HG12 ILE 53 0.462 -14.226 -3.881
423 HG13 ILE 53 HG13 ILE 53 1.527 -14.643 -2.540
424 HG21 ILE 53 HG21 ILE 53 -1.674 -17.233 -3.637
425 HG22 ILE 53 HG22 ILE 53 -0.358 -16.927 -4.771
426 HG23 ILE 53 HG23 ILE 53 -1.518 -15.650 -4.400
427 HD11 ILE 53 HD11 ILE 53 2.694 -15.087 -4.629
428 HD12 ILE 53 HD12 ILE 53 1.348 -16.067 -5.210
429 HD13 ILE 53 HD13 ILE 53 2.322 -16.624 -3.848
430 H LYS 54 H LYS 54 -0.774 -17.121 0.037
431 HA LYS 54 HA LYS 54 -2.990 -18.766 -0.590
432 HB2 LYS 54 HB2 LYS 54 -1.192 -19.402 0.997
433 HB3 LYS 54 HB3 LYS 54 -1.821 -18.224 2.147
434 HG2 LYS 54 HG2 LYS 54 -3.997 -19.411 2.155
435 HG3 LYS 54 HG3 LYS 54 -3.325 -20.617 1.055
436 HD2 LYS 54 HD2 LYS 54 -1.552 -21.104 2.757
437 HD3 LYS 54 HD3 LYS 54 -2.371 -20.003 3.867
438 HE2 LYS 54 HE2 LYS 54 -4.249 -21.894 2.716
439 HE3 LYS 54 HE3 LYS 54 -2.917 -22.734 3.513
440 HZ1 LYS 54 HZ1 LYS 54 -3.930 -22.294 5.418
441 HZ2 LYS 54 HZ2 LYS 54 -5.071 -21.285 4.666
442 HZ3 LYS 54 HZ3 LYS 54 -3.581 -20.652 5.181
443 H LYS 55 H LYS 55 -2.767 -15.971 1.597
444 HA LYS 55 HA LYS 55 -5.749 -15.999 1.818
445 HB2 LYS 55 HB2 LYS 55 -4.262 -16.031 3.920
446 HB3 LYS 55 HB3 LYS 55 -3.840 -14.372 3.505
447 HG2 LYS 55 HG2 LYS 55 -6.238 -13.761 3.515
448 HG3 LYS 55 HG3 LYS 55 -6.648 -15.414 3.975
449 HD2 LYS 55 HD2 LYS 55 -5.208 -15.140 6.012
450 HD3 LYS 55 HD3 LYS 55 -4.993 -13.445 5.578
451 HE2 LYS 55 HE2 LYS 55 -7.345 -13.002 5.809
452 HE3 LYS 55 HE3 LYS 55 -7.711 -14.722 5.961
453 HZ1 LYS 55 HZ1 LYS 55 -7.717 -13.854 8.130
454 HZ2 LYS 55 HZ2 LYS 55 -6.276 -12.987 7.885
455 HZ3 LYS 55 HZ3 LYS 55 -6.245 -14.684 7.985
456 H ASN 56 H ASN 56 -6.831 -14.400 0.709
457 HA ASN 56 HA ASN 56 -5.443 -11.835 0.221
458 HB2 ASN 56 HB2 ASN 56 -5.873 -11.881 -2.177
459 HB3 ASN 56 HB3 ASN 56 -4.886 -13.270 -1.725
460 HD21 ASN 56 HD21 ASN 56 -6.408 -13.405 -4.097
461 HD22 ASN 56 HD22 ASN 56 -7.691 -14.495 -3.882
462 H VAL 57 H VAL 57 -6.858 -10.117 -0.277
463 HA VAL 57 HA VAL 57 -9.766 -10.698 -0.231
464 HB VAL 57 HB VAL 57 -8.385 -8.672 1.544
465 HG11 VAL 57 HG11 VAL 57 -10.548 -7.849 0.832
466 HG12 VAL 57 HG12 VAL 57 -10.700 -8.417 2.494
467 HG13 VAL 57 HG13 VAL 57 -11.298 -9.410 1.164
468 HG21 VAL 57 HG21 VAL 57 -9.264 -10.111 3.388
469 HG22 VAL 57 HG22 VAL 57 -8.075 -10.944 2.385
470 HG23 VAL 57 HG23 VAL 57 -9.794 -11.282 2.179
471 H LEU 58 H LEU 58 -10.950 -9.260 -1.519
472 HA LEU 58 HA LEU 58 -9.675 -7.825 -3.570
473 HB2 LEU 58 HB2 LEU 58 -12.098 -8.354 -3.558
474 HB3 LEU 58 HB3 LEU 58 -12.336 -7.152 -2.290
475 HG LEU 58 HG LEU 58 -11.371 -5.416 -3.819
476 HD11 LEU 58 HD11 LEU 58 -11.194 -7.836 -5.586
477 HD12 LEU 58 HD12 LEU 58 -10.055 -6.501 -5.400
478 HD13 LEU 58 HD13 LEU 58 -11.538 -6.273 -6.327
479 HD21 LEU 58 HD21 LEU 58 -13.880 -6.938 -4.293
480 HD22 LEU 58 HD22 LEU 58 -13.399 -5.823 -5.573
481 HD23 LEU 58 HD23 LEU 58 -13.653 -5.227 -3.933
482 H TRP 59 H TRP 59 -8.966 -5.671 -3.762
483 HA TRP 59 HA TRP 59 -8.606 -4.301 -1.165
484 HB2 TRP 59 HB2 TRP 59 -7.138 -4.214 -3.776
485 HB3 TRP 59 HB3 TRP 59 -6.980 -2.892 -2.625
486 HD1 TRP 59 HD1 TRP 59 -5.310 -5.954 -3.471
487 HE1 TRP 59 HE1 TRP 59 -3.969 -6.897 -1.480
488 HE3 TRP 59 HE3 TRP 59 -7.389 -3.268 0.345
489 HZ2 TRP 59 HZ2 TRP 59 -3.827 -6.573 1.351
490 HZ3 TRP 59 HZ3 TRP 59 -6.648 -3.621 2.675
491 HH2 TRP 59 HH2 TRP 59 -4.873 -5.281 3.186
492 H ASP 60 H ASP 60 -9.129 -2.152 -0.867
493 HA ASP 60 HA ASP 60 -10.507 -0.682 -3.027
494 HB2 ASP 60 HB2 ASP 60 -12.247 -2.035 -1.773
495 HB3 ASP 60 HB3 ASP 60 -11.820 -1.117 -0.327
496 H GLU 61 H GLU 61 -10.802 1.635 -2.364
497 HA GLU 61 HA GLU 61 -8.479 2.745 -1.227
498 HB2 GLU 61 HB2 GLU 61 -11.278 3.920 -1.286
499 HB3 GLU 61 HB3 GLU 61 -9.792 4.836 -1.024
500 HG2 GLU 61 HG2 GLU 61 -8.963 4.107 -3.239
501 HG3 GLU 61 HG3 GLU 61 -10.467 3.225 -3.504
502 H ASN 62 H ASN 62 -11.513 1.783 0.319
503 HA ASN 62 HA ASN 62 -10.716 2.847 2.922
504 HB2 ASN 62 HB2 ASN 62 -13.119 2.521 2.059
505 HB3 ASN 62 HB3 ASN 62 -12.891 0.811 2.429
506 HD21 ASN 62 HD21 ASN 62 -14.702 1.304 4.072
507 HD22 ASN 62 HD22 ASN 62 -14.234 1.913 5.592
508 H ASN 63 H ASN 63 -11.036 -0.435 1.521
509 HA ASN 63 HA ASN 63 -10.168 -1.856 3.822
510 HB2 ASN 63 HB2 ASN 63 -11.189 -2.828 1.707
511 HB3 ASN 63 HB3 ASN 63 -9.595 -2.673 0.968
512 HD21 ASN 63 HD21 ASN 63 -10.326 -5.241 1.054
513 HD22 ASN 63 HD22 ASN 63 -9.617 -6.084 2.352
514 H MET 64 H MET 64 -8.284 -0.511 1.119
515 HA MET 64 HA MET 64 -5.760 -1.530 1.941
516 HB2 MET 64 HB2 MET 64 -6.520 0.952 0.398
517 HB3 MET 64 HB3 MET 64 -4.853 0.450 0.630
518 HG2 MET 64 HG2 MET 64 -5.618 -1.835 -0.310
519 HG3 MET 64 HG3 MET 64 -7.044 -0.968 -0.872
520 HE1 MET 64 HE1 MET 64 -3.078 0.154 -0.734
521 HE2 MET 64 HE2 MET 64 -2.726 -0.727 -2.219
522 HE3 MET 64 HE3 MET 64 -3.440 -1.577 -0.849
523 H SER 65 H SER 65 -7.589 1.305 2.974
524 HA SER 65 HA SER 65 -5.557 2.693 4.362
525 HB2 SER 65 HB2 SER 65 -8.435 2.342 5.255
526 HB3 SER 65 HB3 SER 65 -7.352 3.654 5.707
527 HG SER 65 HG SER 65 -8.942 3.852 3.817
528 H GLU 66 H GLU 66 -7.532 -0.082 5.365
529 HA GLU 66 HA GLU 66 -6.569 -0.207 8.062
530 HB2 GLU 66 HB2 GLU 66 -7.599 -2.402 6.237
531 HB3 GLU 66 HB3 GLU 66 -7.343 -2.581 7.973
532 HG2 GLU 66 HG2 GLU 66 -8.937 -0.725 8.383
533 HG3 GLU 66 HG3 GLU 66 -9.227 -0.609 6.647
534 H TYR 67 H TYR 67 -5.371 -1.562 5.009
535 HA TYR 67 HA TYR 67 -3.346 -3.233 6.139
536 HB2 TYR 67 HB2 TYR 67 -4.063 -3.274 3.737
537 HB3 TYR 67 HB3 TYR 67 -3.210 -1.752 3.500
538 HD1 TYR 67 HD2 TYR 67 -2.828 -5.358 4.192
539 HD2 TYR 67 HD1 TYR 67 -0.782 -1.627 3.590
540 HE1 TYR 67 HE2 TYR 67 -0.685 -6.574 3.933
541 HE2 TYR 67 HE1 TYR 67 1.360 -2.847 3.338
542 HH TYR 67 HH TYR 67 2.126 -5.098 2.712
543 H LEU 68 H LEU 68 -3.244 0.171 5.064
544 HA LEU 68 HA LEU 68 -0.516 0.666 5.445
545 HB2 LEU 68 HB2 LEU 68 -2.775 2.544 6.175
546 HB3 LEU 68 HB3 LEU 68 -1.123 2.996 5.765
547 HG LEU 68 HG LEU 68 -3.136 1.668 3.929
548 HD11 LEU 68 HD11 LEU 68 -2.155 4.437 4.344
549 HD12 LEU 68 HD12 LEU 68 -3.699 3.873 3.706
550 HD13 LEU 68 HD13 LEU 68 -2.274 3.908 2.667
551 HD21 LEU 68 HD21 LEU 68 -1.123 0.733 3.217
552 HD22 LEU 68 HD22 LEU 68 -0.180 2.132 3.729
553 HD23 LEU 68 HD23 LEU 68 -1.162 2.218 2.268
554 H THR 69 H THR 69 -3.100 0.559 7.885
555 HA THR 69 HA THR 69 -1.565 1.530 10.075
556 HB THR 69 HB THR 69 -3.198 0.403 11.489
557 HG1 THR 69 HG1 THR 69 -3.435 -1.168 9.216
558 HG21 THR 69 HG21 THR 69 -5.089 0.976 9.361
559 HG22 THR 69 HG22 THR 69 -3.819 2.197 9.437
560 HG23 THR 69 HG23 THR 69 -4.801 1.853 10.862
561 H ASN 70 H ASN 70 -1.838 -1.697 8.651
562 HA ASN 70 HA ASN 70 0.684 -2.446 10.021
563 HB2 ASN 70 HB2 ASN 70 -1.366 -3.257 11.349
564 HB3 ASN 70 HB3 ASN 70 -1.658 -4.353 10.002
565 HD21 ASN 70 HD21 ASN 70 -1.145 -5.733 12.238
566 HD22 ASN 70 HD22 ASN 70 0.462 -6.293 12.306
567 H HIS 71 H HIS 71 2.005 -3.515 8.587
568 HA HIS 71 HA HIS 71 1.290 -3.775 5.867
569 HB2 HIS 71 HB2 HIS 71 3.589 -4.430 7.505
570 HB3 HIS 71 HB3 HIS 71 3.299 -5.688 6.303
571 HD1 HIS 71 HD1 HIS 71 3.867 -1.951 6.574
572 HD2 HIS 71 HD2 HIS 71 3.891 -4.933 3.650
573 HE1 HIS 71 HE1 HIS 71 4.740 -0.875 4.451
574 H ALA 72 H ALA 72 0.131 -5.573 8.413
575 HA ALA 72 HA ALA 72 -0.917 -7.607 6.559
576 HB1 ALA 72 HB1 ALA 72 0.783 -8.331 8.953
577 HB2 ALA 72 HB2 ALA 72 1.194 -8.603 7.261
578 HB3 ALA 72 HB3 ALA 72 -0.148 -9.479 7.995
579 H LYS 73 H LYS 73 -2.343 -5.634 7.850
580 HA LYS 73 HA LYS 73 -3.363 -6.287 10.420
581 HB2 LYS 73 HB2 LYS 73 -3.776 -4.128 9.199
582 HB3 LYS 73 HB3 LYS 73 -4.889 -4.991 8.140
583 HG2 LYS 73 HG2 LYS 73 -6.312 -4.082 9.777
584 HG3 LYS 73 HG3 LYS 73 -6.060 -5.731 10.345
585 HD2 LYS 73 HD2 LYS 73 -4.406 -5.005 11.947
586 HD3 LYS 73 HD3 LYS 73 -4.392 -3.376 11.271
587 HE2 LYS 73 HE2 LYS 73 -6.233 -2.767 12.437
588 HE3 LYS 73 HE3 LYS 73 -7.073 -4.269 12.047
589 HZ1 LYS 73 HZ1 LYS 73 -4.931 -4.032 14.087
590 HZ2 LYS 73 HZ2 LYS 73 -5.893 -5.397 13.773
591 HZ3 LYS 73 HZ3 LYS 73 -6.590 -3.997 14.438
592 H TYR 74 H TYR 74 -4.473 -7.259 7.179
593 HA TYR 74 HA TYR 74 -6.136 -9.377 8.494
594 HB2 TYR 74 HB2 TYR 74 -6.656 -7.632 6.102
595 HB3 TYR 74 HB3 TYR 74 -7.402 -9.226 6.203
596 HD1 TYR 74 HD1 TYR 74 -7.082 -5.939 7.921
597 HD2 TYR 74 HD2 TYR 74 -9.211 -9.663 7.686
598 HE1 TYR 74 HE1 TYR 74 -8.822 -5.042 9.443
599 HE2 TYR 74 HE2 TYR 74 -10.948 -8.766 9.206
600 HH TYR 74 HH TYR 74 -10.524 -5.882 10.984
601 H ILE 75 H ILE 75 -3.282 -9.073 7.073
602 HA ILE 75 HA ILE 75 -3.555 -11.679 5.645
603 HB ILE 75 HB ILE 75 -1.956 -9.309 4.641
604 HG12 ILE 75 HG12 ILE 75 -4.574 -10.495 3.666
605 HG13 ILE 75 HG13 ILE 75 -4.377 -8.920 4.436
606 HG21 ILE 75 HG21 ILE 75 -2.646 -11.905 3.246
607 HG22 ILE 75 HG22 ILE 75 -1.129 -11.652 4.109
608 HG23 ILE 75 HG23 ILE 75 -1.522 -10.659 2.706
609 HD11 ILE 75 HD11 ILE 75 -2.869 -8.226 2.594
610 HD12 ILE 75 HD12 ILE 75 -4.473 -8.658 2.001
611 HD13 ILE 75 HD13 ILE 75 -3.130 -9.784 1.811
612 HA PRO 76 HA PRO 76 -0.146 -11.597 8.873
613 HB2 PRO 76 HB2 PRO 76 -0.967 -14.455 8.961
614 HB3 PRO 76 HB3 PRO 76 -0.672 -13.327 10.296
615 HG2 PRO 76 HG2 PRO 76 -3.140 -14.091 9.591
616 HG3 PRO 76 HG3 PRO 76 -2.791 -12.476 10.226
617 HD2 PRO 76 HD2 PRO 76 -3.407 -13.302 7.427
618 HD3 PRO 76 HD3 PRO 76 -3.743 -11.763 8.251
619 H GLY 77 H GLY 77 -0.900 -13.719 6.164
620 HA2 GLY 77 HA2 GLY 77 1.592 -15.077 5.960
621 HA3 GLY 77 HA3 GLY 77 0.517 -14.744 4.598
622 H THR 78 H THR 78 0.674 -11.799 5.288
623 HA THR 78 HA THR 78 2.857 -11.161 3.518
624 HB THR 78 HB THR 78 0.990 -9.497 5.194
625 HG1 THR 78 HG1 THR 78 0.509 -8.834 2.932
626 HG21 THR 78 HG21 THR 78 2.112 -7.702 3.493
627 HG22 THR 78 HG22 THR 78 3.507 -8.705 3.869
628 HG23 THR 78 HG23 THR 78 2.622 -7.914 5.166
629 H LYS 79 H LYS 79 4.863 -10.298 3.982
630 HA LYS 79 HA LYS 79 5.972 -10.860 6.616
631 HB2 LYS 79 HB2 LYS 79 7.199 -9.351 4.286
632 HB3 LYS 79 HB3 LYS 79 8.067 -10.063 5.643
633 HG2 LYS 79 HG2 LYS 79 7.273 -12.307 4.963
634 HG3 LYS 79 HG3 LYS 79 6.442 -11.585 3.585
635 HD2 LYS 79 HD2 LYS 79 8.676 -10.643 2.853
636 HD3 LYS 79 HD3 LYS 79 9.425 -11.628 4.109
637 HE2 LYS 79 HE2 LYS 79 7.699 -13.372 2.735
638 HE3 LYS 79 HE3 LYS 79 8.499 -12.424 1.477
639 HZ1 LYS 79 HZ1 LYS 79 10.570 -13.143 2.130
640 HZ2 LYS 79 HZ2 LYS 79 9.635 -14.538 2.393
641 HZ3 LYS 79 HZ3 LYS 79 10.071 -13.545 3.700
642 H MET 80 H MET 80 6.671 -9.292 8.151
643 HA MET 80 HA MET 80 5.364 -6.638 7.858
644 HB2 MET 80 HB2 MET 80 5.029 -8.030 9.941
645 HB3 MET 80 HB3 MET 80 6.742 -7.801 10.295
646 HG2 MET 80 HG2 MET 80 6.366 -5.320 10.197
647 HG3 MET 80 HG3 MET 80 4.638 -5.634 10.031
648 HE1 MET 80 HE1 MET 80 4.329 -8.311 12.138
649 HE2 MET 80 HE2 MET 80 3.345 -7.042 11.412
650 HE3 MET 80 HE3 MET 80 3.455 -7.166 13.165
651 H ALA 81 H ALA 81 6.575 -4.780 7.569
652 HA ALA 81 HA ALA 81 9.463 -4.836 8.204
653 HB1 ALA 81 HB1 ALA 81 10.176 -4.231 5.981
654 HB2 ALA 81 HB2 ALA 81 8.507 -4.122 5.421
655 HB3 ALA 81 HB3 ALA 81 9.194 -5.690 5.845
656 H PHE 82 H PHE 82 6.665 -2.978 7.021
657 HA PHE 82 HA PHE 82 8.060 -0.462 7.765
658 HB2 PHE 82 HB2 PHE 82 6.693 -0.671 5.613
659 HB3 PHE 82 HB3 PHE 82 5.265 -0.706 6.650
660 HD1 PHE 82 HD2 PHE 82 4.820 1.202 8.224
661 HD2 PHE 82 HD1 PHE 82 7.857 1.369 5.195
662 HE1 PHE 82 HE2 PHE 82 4.923 3.665 8.458
663 HE2 PHE 82 HE1 PHE 82 7.955 3.833 5.430
664 HZ PHE 82 HZ PHE 82 6.478 4.981 7.054
665 H GLY 83 H GLY 83 7.058 1.031 9.279
666 HA2 GLY 83 HA2 GLY 83 4.690 0.262 10.776
667 HA3 GLY 83 HA3 GLY 83 6.169 0.012 11.704
668 H GLY 84 H GLY 84 4.091 1.941 12.329
669 HA2 GLY 84 HA2 GLY 84 4.480 4.068 13.423
670 HA3 GLY 84 HA3 GLY 84 5.795 4.375 12.294
671 H LEU 85 H LEU 85 3.196 3.176 10.521
672 HA LEU 85 HA LEU 85 2.620 5.886 9.524
673 HB2 LEU 85 HB2 LEU 85 2.695 3.397 8.311
674 HB3 LEU 85 HB3 LEU 85 0.968 3.706 8.462
675 HG LEU 85 HG LEU 85 1.550 6.077 7.539
676 HD11 LEU 85 HD11 LEU 85 3.878 4.510 6.411
677 HD12 LEU 85 HD12 LEU 85 4.041 5.638 7.757
678 HD13 LEU 85 HD13 LEU 85 3.519 6.220 6.177
679 HD21 LEU 85 HD21 LEU 85 0.225 4.794 6.131
680 HD22 LEU 85 HD22 LEU 85 1.400 3.477 6.054
681 HD23 LEU 85 HD23 LEU 85 1.680 4.965 5.149
682 H LYS 86 H LYS 86 1.641 4.486 12.193
683 HA LYS 86 HA LYS 86 -1.169 4.296 12.155
684 HB2 LYS 86 HB2 LYS 86 0.291 3.736 14.114
685 HB3 LYS 86 HB3 LYS 86 0.509 5.464 14.396
686 HG2 LYS 86 HG2 LYS 86 -1.952 5.717 14.627
687 HG3 LYS 86 HG3 LYS 86 -2.133 3.975 14.416
688 HD2 LYS 86 HD2 LYS 86 -0.638 3.638 16.403
689 HD3 LYS 86 HD3 LYS 86 -0.655 5.384 16.655
690 HE2 LYS 86 HE2 LYS 86 -3.053 3.530 16.698
691 HE3 LYS 86 HE3 LYS 86 -2.354 4.379 18.077
692 HZ1 LYS 86 HZ1 LYS 86 -3.030 6.438 17.234
693 HZ2 LYS 86 HZ2 LYS 86 -4.370 5.422 16.998
694 HZ3 LYS 86 HZ3 LYS 86 -3.356 5.813 15.692
695 H LYS 87 H LYS 87 0.906 7.136 12.163
696 HA LYS 87 HA LYS 87 -0.917 9.130 12.937
697 HB2 LYS 87 HB2 LYS 87 1.168 9.239 10.733
698 HB3 LYS 87 HB3 LYS 87 0.374 10.649 11.437
699 HG2 LYS 87 HG2 LYS 87 1.244 9.973 13.677
700 HG3 LYS 87 HG3 LYS 87 2.121 8.652 12.904
701 HD2 LYS 87 HD2 LYS 87 3.293 10.329 11.467
702 HD3 LYS 87 HD3 LYS 87 2.491 11.614 12.371
703 HE2 LYS 87 HE2 LYS 87 3.503 10.683 14.472
704 HE3 LYS 87 HE3 LYS 87 4.411 9.546 13.477
705 HZ1 LYS 87 HZ1 LYS 87 4.520 12.484 13.099
706 HZ2 LYS 87 HZ2 LYS 87 5.536 11.312 12.407
707 HZ3 LYS 87 HZ3 LYS 87 5.616 11.633 14.074
708 H GLU 88 H GLU 88 -2.861 9.700 12.108
709 HA GLU 88 HA GLU 88 -3.980 8.470 9.789
710 HB2 GLU 88 HB2 GLU 88 -4.796 10.982 11.260
711 HB3 GLU 88 HB3 GLU 88 -5.781 10.182 10.037
712 HG2 GLU 88 HG2 GLU 88 -4.804 8.887 12.601
713 HG3 GLU 88 HG3 GLU 88 -6.433 9.510 12.341
714 H LYS 89 H LYS 89 -2.219 11.481 10.248
715 HA LYS 89 HA LYS 89 -2.875 12.779 7.827
716 HB2 LYS 89 HB2 LYS 89 -0.263 12.759 9.361
717 HB3 LYS 89 HB3 LYS 89 -0.667 13.904 8.086
718 HG2 LYS 89 HG2 LYS 89 -2.668 14.609 9.400
719 HG3 LYS 89 HG3 LYS 89 -2.153 13.534 10.701
720 HD2 LYS 89 HD2 LYS 89 0.019 14.776 10.801
721 HD3 LYS 89 HD3 LYS 89 -0.620 15.910 9.610
722 HE2 LYS 89 HE2 LYS 89 -1.966 15.324 12.260
723 HE3 LYS 89 HE3 LYS 89 -0.874 16.684 11.995
724 HZ1 LYS 89 HZ1 LYS 89 -2.399 17.235 10.050
725 HZ2 LYS 89 HZ2 LYS 89 -2.981 17.552 11.615
726 HZ3 LYS 89 HZ3 LYS 89 -3.513 16.177 10.770
727 H ASP 90 H ASP 90 -0.250 10.440 8.483
728 HA ASP 90 HA ASP 90 0.744 10.454 5.783
729 HB2 ASP 90 HB2 ASP 90 0.934 8.305 7.920
730 HB3 ASP 90 HB3 ASP 90 1.886 8.359 6.439
731 H ARG 91 H ARG 91 -1.421 8.236 7.540
732 HA ARG 91 HA ARG 91 -1.917 6.432 5.422
733 HB2 ARG 91 HB2 ARG 91 -2.614 6.116 7.804
734 HB3 ARG 91 HB3 ARG 91 -3.881 7.318 7.553
735 HG2 ARG 91 HG2 ARG 91 -4.775 5.902 5.688
736 HG3 ARG 91 HG3 ARG 91 -3.589 4.669 6.114
737 HD2 ARG 91 HD2 ARG 91 -5.769 5.759 7.915
738 HD3 ARG 91 HD3 ARG 91 -5.715 4.149 7.199
739 HE ARG 91 HE ARG 91 -3.400 4.142 8.594
740 HH11 ARG 91 HH21 ARG 91 -6.578 5.243 9.372
741 HH12 ARG 91 HH22 ARG 91 -6.408 4.943 11.069
742 HH21 ARG 91 HH11 ARG 91 -3.168 3.742 10.807
743 HH22 ARG 91 HH12 ARG 91 -4.481 4.093 11.881
744 H ASN 92 H ASN 92 -3.621 9.452 6.256
745 HA ASN 92 HA ASN 92 -5.563 9.182 4.141
746 HB2 ASN 92 HB2 ASN 92 -4.632 11.569 5.747
747 HB3 ASN 92 HB3 ASN 92 -5.964 11.624 4.598
748 HD21 ASN 92 HD21 ASN 92 -6.684 12.219 7.158
749 HD22 ASN 92 HD22 ASN 92 -7.499 10.922 7.890
750 H ASP 93 H ASP 93 -2.710 11.305 4.469
751 HA ASP 93 HA ASP 93 -2.848 12.340 1.814
752 HB2 ASP 93 HB2 ASP 93 -0.478 12.017 3.679
753 HB3 ASP 93 HB3 ASP 93 -0.453 12.964 2.191
754 H LEU 94 H LEU 94 -1.188 9.516 3.154
755 HA LEU 94 HA LEU 94 0.388 8.768 0.953
756 HB2 LEU 94 HB2 LEU 94 0.492 7.581 3.071
757 HB3 LEU 94 HB3 LEU 94 -1.168 7.030 2.886
758 HG LEU 94 HG LEU 94 -0.558 5.708 0.935
759 HD11 LEU 94 HD11 LEU 94 2.033 7.188 1.267
760 HD12 LEU 94 HD12 LEU 94 1.116 6.861 -0.204
761 HD13 LEU 94 HD13 LEU 94 2.049 5.574 0.556
762 HD21 LEU 94 HD21 LEU 94 1.667 5.075 2.829
763 HD22 LEU 94 HD22 LEU 94 0.461 4.002 2.117
764 HD23 LEU 94 HD23 LEU 94 0.019 5.057 3.463
765 H ILE 95 H ILE 95 -2.892 7.591 1.671
766 HA ILE 95 HA ILE 95 -3.231 6.348 -0.882
767 HB ILE 95 HB ILE 95 -5.282 7.264 1.142
768 HG12 ILE 95 HG12 ILE 95 -4.023 4.549 0.627
769 HG13 ILE 95 HG13 ILE 95 -3.570 5.631 1.943
770 HG21 ILE 95 HG21 ILE 95 -5.496 6.126 -1.519
771 HG22 ILE 95 HG22 ILE 95 -6.769 6.724 -0.457
772 HG23 ILE 95 HG23 ILE 95 -6.207 5.060 -0.310
773 HD11 ILE 95 HD11 ILE 95 -5.469 5.198 3.145
774 HD12 ILE 95 HD12 ILE 95 -5.450 3.699 2.215
775 HD13 ILE 95 HD13 ILE 95 -6.472 5.040 1.705
776 H THR 96 H THR 96 -3.871 9.606 0.282
777 HA THR 96 HA THR 96 -5.658 10.512 -1.673
778 HB THR 96 HB THR 96 -3.281 12.077 -0.632
779 HG1 THR 96 HG1 THR 96 -4.964 12.689 0.966
780 HG21 THR 96 HG21 THR 96 -4.541 13.991 -1.131
781 HG22 THR 96 HG22 THR 96 -6.051 13.084 -1.215
782 HG23 THR 96 HG23 THR 96 -4.860 12.933 -2.505
783 H TYR 97 H TYR 97 -2.126 10.158 -1.859
784 HA TYR 97 HA TYR 97 -2.019 11.171 -4.588
785 HB2 TYR 97 HB2 TYR 97 -0.070 11.440 -3.169
786 HB3 TYR 97 HB3 TYR 97 0.014 9.700 -2.892
787 HD1 TYR 97 HD1 TYR 97 0.338 12.352 -5.484
788 HD2 TYR 97 HD2 TYR 97 0.997 8.236 -4.476
789 HE1 TYR 97 HE1 TYR 97 1.709 12.070 -7.533
790 HE2 TYR 97 HE2 TYR 97 2.362 7.945 -6.516
791 HH TYR 97 HH TYR 97 2.377 10.152 -9.045
792 H LEU 98 H LEU 98 -1.763 7.945 -3.084
793 HA LEU 98 HA LEU 98 -1.358 6.458 -5.463
794 HB2 LEU 98 HB2 LEU 98 -2.940 5.626 -3.014
795 HB3 LEU 98 HB3 LEU 98 -2.243 4.538 -4.210
796 HG LEU 98 HG LEU 98 -0.622 6.489 -2.546
797 HD11 LEU 98 HD11 LEU 98 -1.569 4.805 -1.069
798 HD12 LEU 98 HD12 LEU 98 0.126 4.405 -1.349
799 HD13 LEU 98 HD13 LEU 98 -1.142 3.520 -2.198
800 HD21 LEU 98 HD21 LEU 98 0.917 6.007 -4.127
801 HD22 LEU 98 HD22 LEU 98 -0.062 4.707 -4.802
802 HD23 LEU 98 HD23 LEU 98 0.978 4.399 -3.413
803 H LYS 99 H LYS 99 -4.398 7.345 -3.839
804 HA LYS 99 HA LYS 99 -6.138 6.111 -5.731
805 HB2 LYS 99 HB2 LYS 99 -6.899 6.878 -3.524
806 HB3 LYS 99 HB3 LYS 99 -6.608 8.541 -4.005
807 HG2 LYS 99 HG2 LYS 99 -8.261 8.281 -5.847
808 HG3 LYS 99 HG3 LYS 99 -8.574 6.635 -5.303
809 HD2 LYS 99 HD2 LYS 99 -10.290 7.856 -4.265
810 HD3 LYS 99 HD3 LYS 99 -9.072 7.742 -2.995
811 HE2 LYS 99 HE2 LYS 99 -10.013 10.052 -3.266
812 HE3 LYS 99 HE3 LYS 99 -8.268 9.983 -3.497
813 HZ1 LYS 99 HZ1 LYS 99 -8.495 10.142 -5.799
814 HZ2 LYS 99 HZ2 LYS 99 -9.624 11.260 -5.200
815 HZ3 LYS 99 HZ3 LYS 99 -10.144 9.746 -5.768
816 H LYS 100 H LYS 100 -4.673 9.331 -5.618
817 HA LYS 100 HA LYS 100 -6.088 10.504 -7.787
818 HB2 LYS 100 HB2 LYS 100 -4.469 11.647 -6.191
819 HB3 LYS 100 HB3 LYS 100 -3.165 10.965 -7.155
820 HG2 LYS 100 HG2 LYS 100 -4.084 12.071 -9.172
821 HG3 LYS 100 HG3 LYS 100 -5.355 12.792 -8.183
822 HD2 LYS 100 HD2 LYS 100 -3.575 13.871 -6.782
823 HD3 LYS 100 HD3 LYS 100 -2.372 13.260 -7.920
824 HE2 LYS 100 HE2 LYS 100 -2.816 15.456 -8.681
825 HE3 LYS 100 HE3 LYS 100 -3.781 14.431 -9.742
826 HZ1 LYS 100 HZ1 LYS 100 -5.706 14.845 -8.374
827 HZ2 LYS 100 HZ2 LYS 100 -5.041 16.324 -8.884
828 HZ3 LYS 100 HZ3 LYS 100 -4.788 15.778 -7.295
829 H ALA 101 H ALA 101 -3.123 8.579 -7.723
830 HA ALA 101 HA ALA 101 -2.657 8.699 -10.570
831 HB1 ALA 101 HB1 ALA 101 -0.925 7.152 -10.198
832 HB2 ALA 101 HB2 ALA 101 -1.769 6.391 -8.848
833 HB3 ALA 101 HB3 ALA 101 -1.034 7.981 -8.646
834 H THR 102 H THR 102 -4.075 6.209 -8.446
835 HA THR 102 HA THR 102 -4.855 4.445 -10.565
836 HB THR 102 HB THR 102 -6.211 4.818 -7.875
837 HG1 THR 102 HG1 THR 102 -3.769 3.830 -8.599
838 HG21 THR 102 HG21 THR 102 -6.007 2.395 -9.681
839 HG22 THR 102 HG22 THR 102 -7.416 3.451 -9.588
840 HG23 THR 102 HG23 THR 102 -6.921 2.516 -8.178
841 H GLU 103 H GLU 103 -6.278 7.317 -9.144
842 HA GLU 103 HA GLU 103 -8.853 6.959 -10.494
843 HB2 GLU 103 HB2 GLU 103 -8.605 8.206 -8.333
844 HB3 GLU 103 HB3 GLU 103 -7.705 9.451 -9.201
845 HG2 GLU 103 HG2 GLU 103 -9.668 9.769 -10.708
846 HG3 GLU 103 HG3 GLU 103 -10.568 8.604 -9.735
847 HHA HEC 104 HA HEC 104 2.475 -6.265 0.653
848 HHB HEC 104 HB HEC 104 1.306 -0.056 0.990
849 HHC HEC 104 HC HEC 104 7.352 0.999 2.519
850 HHD HEC 104 HD HEC 104 8.557 -5.181 1.986
851 HMA1 HEC 104 1HMA HEC 104 -1.312 -2.655 0.297
852 HMA2 HEC 104 2HMA HEC 104 -0.401 -1.566 -0.749
853 HMA3 HEC 104 3HMA HEC 104 -0.670 -1.150 0.944
854 HAA1 HEC 104 1HAA HEC 104 0.376 -6.014 0.540
855 HAA2 HEC 104 2HAA HEC 104 -0.711 -4.938 1.385
856 HBA1 HEC 104 1HBA HEC 104 -0.575 -4.082 -1.334
857 HBA2 HEC 104 2HBA HEC 104 -1.956 -4.749 -0.464
858 HMB1 HEC 104 1HMB HEC 104 1.832 2.140 2.707
859 HMB2 HEC 104 2HMB HEC 104 2.736 3.334 1.780
860 HMB3 HEC 104 3HMB HEC 104 1.667 2.201 0.953
861 HAB HEC 104 HAB HEC 104 6.459 2.891 2.122
862 HBB1 HEC 104 1HBB HEC 104 5.686 4.004 3.901
863 HBB2 HEC 104 2HBB HEC 104 4.146 3.154 3.779
864 HBB3 HEC 104 3HBB HEC 104 4.391 4.664 2.902
865 HMC1 HEC 104 1HMC HEC 104 9.351 -0.026 4.187
866 HMC2 HEC 104 2HMC HEC 104 10.695 -0.566 3.180
867 HMC3 HEC 104 3HMC HEC 104 9.622 0.709 2.603
868 HAC HEC 104 HAC HEC 104 10.408 -4.092 1.828
869 HBC1 HEC 104 1HBC HEC 104 11.345 -4.201 3.877
870 HBC2 HEC 104 2HBC HEC 104 12.149 -2.676 3.505
871 HBC3 HEC 104 3HBC HEC 104 10.602 -2.673 4.353
872 HMD1 HEC 104 1HMD HEC 104 8.368 -7.318 1.261
873 HMD2 HEC 104 2HMD HEC 104 7.140 -8.576 1.277
874 HMD3 HEC 104 3HMD HEC 104 7.536 -7.716 2.762
875 HAD1 HEC 104 1HAD HEC 104 5.066 -8.436 -0.347
876 HAD2 HEC 104 2HAD HEC 104 3.509 -8.066 0.341
877 HBD1 HEC 104 1HBD HEC 104 3.741 -9.678 1.854
878 HBD2 HEC 104 2HBD HEC 104 5.245 -8.963 2.437
Start of MODEL 6
1 H1 THR -5 H1 THR -5 -17.226 11.010 0.478
2 H2 THR -5 H2 THR -5 -16.055 11.263 -0.726
3 H3 THR -5 H3 THR -5 -16.746 12.588 0.083
4 HA THR -5 HA THR -5 -14.394 11.723 0.749
5 HB THR -5 HB THR -5 -15.228 13.545 1.962
6 HG1 THR -5 HG1 THR -5 -14.185 11.682 3.258
7 HG21 THR -5 HG21 THR -5 -17.553 11.723 2.556
8 HG22 THR -5 HG22 THR -5 -17.565 13.297 1.760
9 HG23 THR -5 HG23 THR -5 -17.281 13.189 3.498
10 H GLU -4 H GLU -4 -14.817 9.281 0.145
11 HA GLU -4 HA GLU -4 -15.981 7.516 2.061
12 HB2 GLU -4 HB2 GLU -4 -13.727 7.043 0.086
13 HB3 GLU -4 HB3 GLU -4 -14.570 5.769 0.968
14 HG2 GLU -4 HG2 GLU -4 -16.715 6.521 -0.037
15 HG3 GLU -4 HG3 GLU -4 -15.833 7.734 -0.967
16 H PHE -3 H PHE -3 -12.782 8.985 1.847
17 HA PHE -3 HA PHE -3 -12.222 7.931 4.573
18 HB2 PHE -3 HB2 PHE -3 -9.893 7.480 3.943
19 HB3 PHE -3 HB3 PHE -3 -10.988 6.545 2.925
20 HD1 PHE -3 HD1 PHE -3 -11.486 7.302 0.594
21 HD2 PHE -3 HD2 PHE -3 -8.499 9.203 3.024
22 HE1 PHE -3 HE1 PHE -3 -10.514 8.361 -1.427
23 HE2 PHE -3 HE2 PHE -3 -7.527 10.263 1.004
24 HZ PHE -3 HZ PHE -3 -8.535 9.841 -1.222
25 H LYS -2 H LYS -2 -10.566 9.254 5.714
26 HA LYS -2 HA LYS -2 -11.027 12.084 5.253
27 HB2 LYS -2 HB2 LYS -2 -10.725 11.045 7.526
28 HB3 LYS -2 HB3 LYS -2 -9.030 10.781 7.127
29 HG2 LYS -2 HG2 LYS -2 -8.975 12.827 8.277
30 HG3 LYS -2 HG3 LYS -2 -9.001 13.333 6.587
31 HD2 LYS -2 HD2 LYS -2 -11.371 13.788 6.686
32 HD3 LYS -2 HD3 LYS -2 -11.495 13.060 8.288
33 HE2 LYS -2 HE2 LYS -2 -9.583 15.331 7.877
34 HE3 LYS -2 HE3 LYS -2 -11.305 15.685 8.022
35 HZ1 LYS -2 HZ1 LYS -2 -9.752 15.498 10.121
36 HZ2 LYS -2 HZ2 LYS -2 -10.123 13.847 9.965
37 HZ3 LYS -2 HZ3 LYS -2 -11.368 14.986 10.166
38 H ALA -1 H ALA -1 -9.710 13.514 4.185
39 HA ALA -1 HA ALA -1 -7.017 12.548 3.336
40 HB1 ALA -1 HB1 ALA -1 -9.286 13.288 1.700
41 HB2 ALA -1 HB2 ALA -1 -7.739 12.602 1.207
42 HB3 ALA -1 HB3 ALA -1 -7.916 14.348 1.378
43 H GLY 1 H GLY 1 -5.925 14.715 2.248
44 HA2 GLY 1 HA2 GLY 1 -6.533 17.153 3.736
45 HA3 GLY 1 HA3 GLY 1 -5.048 16.360 4.264
46 H SER 2 H SER 2 -3.526 15.767 2.371
47 HA SER 2 HA SER 2 -3.734 17.617 0.087
48 HB2 SER 2 HB2 SER 2 -1.876 17.918 2.344
49 HB3 SER 2 HB3 SER 2 -1.086 17.918 0.771
50 HG SER 2 HG SER 2 -1.700 19.981 1.023
51 H ALA 3 H ALA 3 -3.533 16.182 -1.568
52 HA ALA 3 HA ALA 3 -2.200 13.653 -1.359
53 HB1 ALA 3 HB1 ALA 3 -3.943 14.678 -3.133
54 HB2 ALA 3 HB2 ALA 3 -2.892 13.316 -3.527
55 HB3 ALA 3 HB3 ALA 3 -2.449 14.948 -4.030
56 H LYS 4 H LYS 4 -1.083 16.864 -2.043
57 HA LYS 4 HA LYS 4 1.263 16.355 -3.531
58 HB2 LYS 4 HB2 LYS 4 0.859 18.385 -1.312
59 HB3 LYS 4 HB3 LYS 4 2.095 18.460 -2.568
60 HG2 LYS 4 HG2 LYS 4 0.551 18.920 -4.255
61 HG3 LYS 4 HG3 LYS 4 -0.793 18.218 -3.354
62 HD2 LYS 4 HD2 LYS 4 0.611 20.628 -2.244
63 HD3 LYS 4 HD3 LYS 4 -0.568 20.838 -3.539
64 HE2 LYS 4 HE2 LYS 4 -2.223 19.540 -2.166
65 HE3 LYS 4 HE3 LYS 4 -1.053 19.520 -0.849
66 HZ1 LYS 4 HZ1 LYS 4 -2.175 21.954 -2.128
67 HZ2 LYS 4 HZ2 LYS 4 -1.053 21.932 -0.853
68 HZ3 LYS 4 HZ3 LYS 4 -2.626 21.338 -0.613
69 H LYS 5 H LYS 5 0.881 16.498 0.030
70 HA LYS 5 HA LYS 5 3.572 15.699 0.597
71 HB2 LYS 5 HB2 LYS 5 1.048 15.453 2.242
72 HB3 LYS 5 HB3 LYS 5 2.672 15.189 2.864
73 HG2 LYS 5 HG2 LYS 5 3.276 17.510 2.167
74 HG3 LYS 5 HG3 LYS 5 1.599 17.763 1.681
75 HD2 LYS 5 HD2 LYS 5 0.881 17.220 4.011
76 HD3 LYS 5 HD3 LYS 5 2.580 17.107 4.474
77 HE2 LYS 5 HE2 LYS 5 2.927 19.384 4.296
78 HE3 LYS 5 HE3 LYS 5 1.684 19.583 3.061
79 HZ1 LYS 5 HZ1 LYS 5 0.867 18.736 5.743
80 HZ2 LYS 5 HZ2 LYS 5 0.027 19.671 4.600
81 HZ3 LYS 5 HZ3 LYS 5 1.285 20.363 5.509
82 H GLY 6 H GLY 6 0.554 13.897 0.200
83 HA2 GLY 6 HA2 GLY 6 1.525 11.341 0.990
84 HA3 GLY 6 HA3 GLY 6 0.172 11.606 -0.108
85 H ALA 7 H ALA 7 1.699 13.054 -2.103
86 HA ALA 7 HA ALA 7 2.611 10.863 -3.682
87 HB1 ALA 7 HB1 ALA 7 1.870 13.160 -4.506
88 HB2 ALA 7 HB2 ALA 7 3.308 12.499 -5.285
89 HB3 ALA 7 HB3 ALA 7 3.469 13.740 -4.042
90 H THR 8 H THR 8 4.435 13.310 -1.839
91 HA THR 8 HA THR 8 6.988 12.091 -2.486
92 HB THR 8 HB THR 8 7.919 13.701 -0.946
93 HG1 THR 8 HG1 THR 8 5.229 14.034 -0.126
94 HG21 THR 8 HG21 THR 8 6.328 14.360 -3.133
95 HG22 THR 8 HG22 THR 8 7.503 15.415 -2.347
96 HG23 THR 8 HG23 THR 8 5.806 15.476 -1.872
97 H LEU 9 H LEU 9 4.604 11.743 0.071
98 HA LEU 9 HA LEU 9 6.189 10.502 2.055
99 HB2 LEU 9 HB2 LEU 9 3.771 11.156 2.292
100 HB3 LEU 9 HB3 LEU 9 3.352 9.750 1.312
101 HG LEU 9 HG LEU 9 4.525 8.293 2.963
102 HD11 LEU 9 HD11 LEU 9 5.082 10.976 4.145
103 HD12 LEU 9 HD12 LEU 9 6.086 9.527 4.125
104 HD13 LEU 9 HD13 LEU 9 4.748 9.656 5.266
105 HD21 LEU 9 HD21 LEU 9 2.667 9.764 4.716
106 HD22 LEU 9 HD22 LEU 9 2.594 8.096 4.150
107 HD23 LEU 9 HD23 LEU 9 2.007 9.402 3.120
108 H PHE 10 H PHE 10 4.504 9.065 -0.730
109 HA PHE 10 HA PHE 10 5.351 6.382 -0.192
110 HB2 PHE 10 HB2 PHE 10 3.499 6.994 -1.773
111 HB3 PHE 10 HB3 PHE 10 4.718 7.612 -2.891
112 HD1 PHE 10 HD1 PHE 10 6.322 6.083 -3.986
113 HD2 PHE 10 HD2 PHE 10 3.215 4.606 -1.412
114 HE1 PHE 10 HE1 PHE 10 6.684 3.792 -4.865
115 HE2 PHE 10 HE2 PHE 10 3.577 2.312 -2.290
116 HZ PHE 10 HZ PHE 10 5.318 1.903 -4.015
117 H LYS 11 H LYS 11 6.695 8.980 -2.194
118 HA LYS 11 HA LYS 11 8.873 7.499 -3.259
119 HB2 LYS 11 HB2 LYS 11 8.616 10.464 -2.709
120 HB3 LYS 11 HB3 LYS 11 9.868 9.729 -3.708
121 HG2 LYS 11 HG2 LYS 11 8.070 8.760 -5.157
122 HG3 LYS 11 HG3 LYS 11 6.885 9.659 -4.210
123 HD2 LYS 11 HD2 LYS 11 8.083 11.772 -4.787
124 HD3 LYS 11 HD3 LYS 11 9.158 10.840 -5.829
125 HE2 LYS 11 HE2 LYS 11 7.073 10.006 -7.030
126 HE3 LYS 11 HE3 LYS 11 6.172 11.227 -6.131
127 HZ1 LYS 11 HZ1 LYS 11 7.184 11.758 -8.464
128 HZ2 LYS 11 HZ2 LYS 11 8.598 12.038 -7.565
129 HZ3 LYS 11 HZ3 LYS 11 7.187 12.927 -7.236
130 H THR 12 H THR 12 8.536 9.286 -0.226
131 HA THR 12 HA THR 12 11.388 8.899 0.383
132 HB THR 12 HB THR 12 10.915 10.251 2.356
133 HG1 THR 12 HG1 THR 12 8.981 9.923 3.106
134 HG21 THR 12 HG21 THR 12 11.031 12.063 1.035
135 HG22 THR 12 HG22 THR 12 9.329 11.891 0.607
136 HG23 THR 12 HG23 THR 12 10.564 11.052 -0.333
137 H ARG 13 H ARG 13 8.778 6.853 0.645
138 HA ARG 13 HA ARG 13 10.060 5.531 2.997
139 HB2 ARG 13 HB2 ARG 13 7.095 6.010 2.631
140 HB3 ARG 13 HB3 ARG 13 7.788 4.948 3.859
141 HG2 ARG 13 HG2 ARG 13 9.113 6.888 4.721
142 HG3 ARG 13 HG3 ARG 13 8.275 7.927 3.567
143 HD2 ARG 13 HD2 ARG 13 6.098 7.191 4.587
144 HD3 ARG 13 HD3 ARG 13 7.023 6.339 5.824
145 HE ARG 13 HE ARG 13 7.693 9.185 5.535
146 HH11 ARG 13 HH21 ARG 13 5.806 6.731 7.054
147 HH12 ARG 13 HH22 ARG 13 5.464 7.679 8.463
148 HH21 ARG 13 HH11 ARG 13 7.258 10.437 7.366
149 HH22 ARG 13 HH12 ARG 13 6.287 9.777 8.640
150 H CYS 14 H CYS 14 7.294 4.867 0.809
151 HA CYS 14 HA CYS 14 7.787 2.042 0.813
152 HB2 CYS 14 HB2 CYS 14 6.405 3.308 -1.487
153 HB3 CYS 14 HB3 CYS 14 5.951 1.880 -0.563
154 H LEU 15 H LEU 15 8.827 4.597 -1.411
155 HA LEU 15 HA LEU 15 9.774 2.948 -3.504
156 HB2 LEU 15 HB2 LEU 15 9.657 5.443 -3.559
157 HB3 LEU 15 HB3 LEU 15 11.078 5.500 -2.517
158 HG LEU 15 HG LEU 15 12.109 3.921 -4.370
159 HD11 LEU 15 HD11 LEU 15 10.414 5.520 -6.219
160 HD12 LEU 15 HD12 LEU 15 9.656 4.120 -5.461
161 HD13 LEU 15 HD13 LEU 15 11.111 3.916 -6.436
162 HD21 LEU 15 HD21 LEU 15 11.740 6.897 -4.337
163 HD22 LEU 15 HD22 LEU 15 12.559 6.162 -5.715
164 HD23 LEU 15 HD23 LEU 15 13.208 5.952 -4.089
165 H GLN 16 H GLN 16 11.268 3.748 -0.397
166 HA GLN 16 HA GLN 16 13.893 2.851 -0.899
167 HB2 GLN 16 HB2 GLN 16 12.234 2.590 1.626
168 HB3 GLN 16 HB3 GLN 16 13.977 2.332 1.547
169 HG2 GLN 16 HG2 GLN 16 14.302 4.635 0.758
170 HG3 GLN 16 HG3 GLN 16 12.558 4.902 0.784
171 HE21 GLN 16 HE21 GLN 16 14.313 6.501 2.384
172 HE22 GLN 16 HE22 GLN 16 14.029 6.139 4.017
173 H CYS 17 H CYS 17 10.962 0.987 -0.215
174 HA CYS 17 HA CYS 17 12.554 -1.524 -0.428
175 HB2 CYS 17 HB2 CYS 17 9.832 -0.879 0.677
176 HB3 CYS 17 HB3 CYS 17 10.285 -2.539 0.303
177 H HIS 18 H HIS 18 9.148 -1.116 -1.250
178 HA HIS 18 HA HIS 18 9.844 -1.979 -4.018
179 HB2 HIS 18 HB2 HIS 18 7.568 -2.943 -4.082
180 HB3 HIS 18 HB3 HIS 18 8.564 -3.670 -2.838
181 HD1 HIS 18 HD1 HIS 18 6.164 -0.716 -3.072
182 HD2 HIS 18 HD2 HIS 18 7.180 -3.800 -0.448
183 HE1 HIS 18 HE1 HIS 18 4.631 -0.489 -1.066
184 H THR 19 H THR 19 8.835 -0.933 -5.725
185 HA THR 19 HA THR 19 7.635 1.710 -5.035
186 HB THR 19 HB THR 19 8.516 2.539 -7.050
187 HG1 THR 19 HG1 THR 19 7.628 0.651 -8.214
188 HG21 THR 19 HG21 THR 19 10.323 1.934 -5.477
189 HG22 THR 19 HG22 THR 19 10.852 1.765 -7.151
190 HG23 THR 19 HG23 THR 19 10.424 0.335 -6.214
191 H VAL 20 H VAL 20 5.948 2.484 -6.656
192 HA VAL 20 HA VAL 20 4.127 0.216 -7.294
193 HB VAL 20 HB VAL 20 2.392 2.092 -7.467
194 HG11 VAL 20 HG11 VAL 20 2.915 2.418 -4.741
195 HG12 VAL 20 HG12 VAL 20 3.638 0.861 -5.143
196 HG13 VAL 20 HG13 VAL 20 1.930 1.152 -5.471
197 HG21 VAL 20 HG21 VAL 20 3.932 3.812 -5.685
198 HG22 VAL 20 HG22 VAL 20 3.024 4.237 -7.136
199 HG23 VAL 20 HG23 VAL 20 4.690 3.674 -7.272
200 H GLU 21 H GLU 21 6.442 1.564 -8.905
201 HA GLU 21 HA GLU 21 5.338 2.860 -11.171
202 HB2 GLU 21 HB2 GLU 21 7.717 0.980 -11.038
203 HB3 GLU 21 HB3 GLU 21 7.363 2.075 -12.373
204 HG2 GLU 21 HG2 GLU 21 7.490 3.996 -10.804
205 HG3 GLU 21 HG3 GLU 21 7.916 2.884 -9.504
206 H LYS 22 H LYS 22 4.626 2.010 -13.199
207 HA LYS 22 HA LYS 22 2.918 -0.212 -13.131
208 HB2 LYS 22 HB2 LYS 22 2.960 1.527 -14.932
209 HB3 LYS 22 HB3 LYS 22 4.425 0.779 -15.569
210 HG2 LYS 22 HG2 LYS 22 3.191 -1.358 -15.847
211 HG3 LYS 22 HG3 LYS 22 1.722 -0.564 -15.277
212 HD2 LYS 22 HD2 LYS 22 1.958 1.088 -17.150
213 HD3 LYS 22 HD3 LYS 22 3.315 0.140 -17.758
214 HE2 LYS 22 HE2 LYS 22 1.843 -1.834 -17.965
215 HE3 LYS 22 HE3 LYS 22 0.485 -0.879 -17.369
216 HZ1 LYS 22 HZ1 LYS 22 0.748 -1.106 -19.871
217 HZ2 LYS 22 HZ2 LYS 22 2.056 -0.032 -19.723
218 HZ3 LYS 22 HZ3 LYS 22 0.496 0.456 -19.260
219 H GLY 23 H GLY 23 6.379 -0.090 -13.694
220 HA2 GLY 23 HA2 GLY 23 6.448 -3.048 -13.521
221 HA3 GLY 23 HA3 GLY 23 7.184 -2.311 -14.942
222 H GLY 24 H GLY 24 7.207 -1.240 -11.538
223 HA2 GLY 24 HA2 GLY 24 9.980 -0.506 -11.641
224 HA3 GLY 24 HA3 GLY 24 9.028 -0.666 -10.164
225 HA PRO 25 HA PRO 25 11.965 -4.400 -10.960
226 HB2 PRO 25 HB2 PRO 25 14.150 -3.639 -9.504
227 HB3 PRO 25 HB3 PRO 25 13.980 -3.316 -11.240
228 HG2 PRO 25 HG2 PRO 25 13.519 -1.503 -8.923
229 HG3 PRO 25 HG3 PRO 25 14.284 -1.164 -10.487
230 HD2 PRO 25 HD2 PRO 25 11.710 -0.443 -9.925
231 HD3 PRO 25 HD3 PRO 25 12.255 -0.855 -11.567
232 H HIS 26 H HIS 26 11.815 -6.068 -9.467
233 HA HIS 26 HA HIS 26 10.565 -5.530 -6.898
234 HB2 HIS 26 HB2 HIS 26 11.835 -8.082 -7.949
235 HB3 HIS 26 HB3 HIS 26 10.775 -7.964 -6.548
236 HD1 HIS 26 HD1 HIS 26 8.538 -6.197 -7.560
237 HD2 HIS 26 HD2 HIS 26 10.231 -9.228 -9.867
238 HE1 HIS 26 HE1 HIS 26 6.811 -6.814 -9.311
239 HE2 HIS 26 HE2 HIS 26 7.833 -8.659 -10.722
240 H LYS 27 H LYS 27 12.563 -3.980 -6.465
241 HA LYS 27 HA LYS 27 15.128 -4.931 -5.841
242 HB2 LYS 27 HB2 LYS 27 14.483 -2.539 -5.754
243 HB3 LYS 27 HB3 LYS 27 13.534 -2.857 -4.301
244 HG2 LYS 27 HG2 LYS 27 15.579 -3.636 -3.146
245 HG3 LYS 27 HG3 LYS 27 16.523 -3.272 -4.591
246 HD2 LYS 27 HD2 LYS 27 15.761 -0.893 -4.431
247 HD3 LYS 27 HD3 LYS 27 14.961 -1.291 -2.910
248 HE2 LYS 27 HE2 LYS 27 16.964 -1.583 -1.773
249 HE3 LYS 27 HE3 LYS 27 17.854 -2.003 -3.236
250 HZ1 LYS 27 HZ1 LYS 27 17.780 0.266 -3.945
251 HZ2 LYS 27 HZ2 LYS 27 18.393 0.222 -2.361
252 HZ3 LYS 27 HZ3 LYS 27 16.788 0.703 -2.641
253 H VAL 28 H VAL 28 12.189 -5.015 -3.848
254 HA VAL 28 HA VAL 28 13.406 -7.201 -2.274
255 HB VAL 28 HB VAL 28 13.903 -5.011 -1.112
256 HG11 VAL 28 HG11 VAL 28 10.948 -4.991 -0.503
257 HG12 VAL 28 HG12 VAL 28 11.659 -4.007 -1.784
258 HG13 VAL 28 HG13 VAL 28 12.148 -3.762 -0.110
259 HG21 VAL 28 HG21 VAL 28 13.767 -7.189 0.081
260 HG22 VAL 28 HG22 VAL 28 12.045 -6.913 0.343
261 HG23 VAL 28 HG23 VAL 28 13.234 -5.848 1.094
262 H GLY 29 H GLY 29 10.554 -5.110 -2.679
263 HA2 GLY 29 HA2 GLY 29 8.830 -7.415 -1.940
264 HA3 GLY 29 HA3 GLY 29 8.282 -5.745 -2.068
265 HA PRO 30 HA PRO 30 7.318 -7.895 -6.064
266 HB2 PRO 30 HB2 PRO 30 4.544 -7.875 -5.705
267 HB3 PRO 30 HB3 PRO 30 5.606 -9.241 -5.401
268 HG2 PRO 30 HG2 PRO 30 4.146 -7.724 -3.508
269 HG3 PRO 30 HG3 PRO 30 5.276 -9.047 -3.201
270 HD2 PRO 30 HD2 PRO 30 5.713 -6.128 -2.962
271 HD3 PRO 30 HD3 PRO 30 6.584 -7.469 -2.188
272 H ASN 31 H ASN 31 7.093 -4.851 -4.994
273 HA ASN 31 HA ASN 31 6.313 -2.834 -5.934
274 HB2 ASN 31 HB2 ASN 31 6.953 -4.438 -8.417
275 HB3 ASN 31 HB3 ASN 31 6.736 -2.687 -8.374
276 HD21 ASN 31 HD21 ASN 31 8.053 -2.242 -5.809
277 HD22 ASN 31 HD22 ASN 31 9.709 -2.542 -6.039
278 H LEU 32 H LEU 32 4.090 -2.814 -5.365
279 HA LEU 32 HA LEU 32 2.226 -4.199 -7.210
280 HB2 LEU 32 HB2 LEU 32 0.919 -2.659 -5.163
281 HB3 LEU 32 HB3 LEU 32 0.899 -4.394 -5.443
282 HG LEU 32 HG LEU 32 3.036 -2.876 -3.930
283 HD11 LEU 32 HD11 LEU 32 1.288 -3.027 -2.415
284 HD12 LEU 32 HD12 LEU 32 2.058 -4.591 -2.146
285 HD13 LEU 32 HD13 LEU 32 0.627 -4.478 -3.169
286 HD21 LEU 32 HD21 LEU 32 3.200 -5.651 -3.469
287 HD22 LEU 32 HD22 LEU 32 4.341 -4.664 -4.382
288 HD23 LEU 32 HD23 LEU 32 3.015 -5.478 -5.215
289 H HIS 33 H HIS 33 0.764 -3.146 -8.482
290 HA HIS 33 HA HIS 33 0.432 -0.227 -8.275
291 HB2 HIS 33 HB2 HIS 33 2.410 -0.408 -9.714
292 HB3 HIS 33 HB3 HIS 33 1.582 -1.580 -10.734
293 HD1 HIS 33 HD1 HIS 33 0.944 1.982 -9.494
294 HD2 HIS 33 HD2 HIS 33 0.358 -0.366 -12.892
295 HE1 HIS 33 HE1 HIS 33 -0.092 3.496 -11.244
296 HE2 HIS 33 HE2 HIS 33 -0.452 2.076 -13.315
297 H GLY 34 H GLY 34 -1.747 -0.082 -8.323
298 HA2 GLY 34 HA2 GLY 34 -3.840 -0.169 -9.521
299 HA3 GLY 34 HA3 GLY 34 -3.205 -1.512 -10.474
300 H ILE 35 H ILE 35 -2.406 -1.989 -7.234
301 HA ILE 35 HA ILE 35 -3.952 -4.322 -6.926
302 HB ILE 35 HB ILE 35 -3.025 -2.436 -4.751
303 HG12 ILE 35 HG12 ILE 35 -1.124 -3.158 -6.063
304 HG13 ILE 35 HG13 ILE 35 -1.136 -4.078 -4.559
305 HG21 ILE 35 HG21 ILE 35 -4.696 -3.979 -3.915
306 HG22 ILE 35 HG22 ILE 35 -3.112 -4.497 -3.338
307 HG23 ILE 35 HG23 ILE 35 -3.879 -5.338 -4.685
308 HD11 ILE 35 HD11 ILE 35 -1.814 -4.996 -7.337
309 HD12 ILE 35 HD12 ILE 35 -2.535 -5.812 -5.949
310 HD13 ILE 35 HD13 ILE 35 -0.784 -5.766 -6.132
311 H PHE 36 H PHE 36 -4.748 -0.972 -6.251
312 HA PHE 36 HA PHE 36 -7.061 -1.236 -4.709
313 HB2 PHE 36 HB2 PHE 36 -6.435 0.650 -6.996
314 HB3 PHE 36 HB3 PHE 36 -7.862 0.821 -5.977
315 HD1 PHE 36 HD1 PHE 36 -4.107 0.577 -5.809
316 HD2 PHE 36 HD2 PHE 36 -7.730 1.925 -3.911
317 HE1 PHE 36 HE1 PHE 36 -2.779 1.772 -4.095
318 HE2 PHE 36 HE2 PHE 36 -6.393 3.126 -2.209
319 HZ PHE 36 HZ PHE 36 -3.918 3.042 -2.295
320 H GLY 37 H GLY 37 -8.786 -2.555 -5.072
321 HA2 GLY 37 HA2 GLY 37 -10.740 -3.229 -6.295
322 HA3 GLY 37 HA3 GLY 37 -9.994 -2.618 -7.774
323 H ARG 38 H ARG 38 -7.808 -4.463 -5.949
324 HA ARG 38 HA ARG 38 -8.390 -6.881 -7.617
325 HB2 ARG 38 HB2 ARG 38 -5.724 -5.718 -6.784
326 HB3 ARG 38 HB3 ARG 38 -5.909 -7.308 -7.514
327 HG2 ARG 38 HG2 ARG 38 -7.009 -4.837 -8.851
328 HG3 ARG 38 HG3 ARG 38 -5.334 -5.336 -9.079
329 HD2 ARG 38 HD2 ARG 38 -6.215 -7.621 -9.751
330 HD3 ARG 38 HD3 ARG 38 -7.829 -6.910 -9.772
331 HE ARG 38 HE ARG 38 -7.260 -5.782 -11.770
332 HH11 ARG 38 HH21 ARG 38 -4.508 -7.081 -10.149
333 HH12 ARG 38 HH22 ARG 38 -3.417 -6.748 -11.452
334 HH21 ARG 38 HH11 ARG 38 -5.852 -5.339 -13.481
335 HH22 ARG 38 HH12 ARG 38 -4.177 -5.762 -13.340
336 H HIS 39 H HIS 39 -7.329 -8.885 -6.644
337 HA HIS 39 HA HIS 39 -8.077 -8.995 -3.792
338 HB2 HIS 39 HB2 HIS 39 -7.516 -11.041 -5.919
339 HB3 HIS 39 HB3 HIS 39 -7.507 -11.502 -4.217
340 HD1 HIS 39 HD1 HIS 39 -9.789 -9.422 -6.462
341 HD2 HIS 39 HD2 HIS 39 -10.057 -12.257 -3.427
342 HE1 HIS 39 HE1 HIS 39 -12.254 -9.865 -6.123
343 HE2 HIS 39 HE2 HIS 39 -12.433 -11.589 -4.269
344 H SER 40 H SER 40 -6.631 -9.553 -2.154
345 HA SER 40 HA SER 40 -3.961 -8.668 -2.361
346 HB2 SER 40 HB2 SER 40 -5.596 -9.658 -0.335
347 HB3 SER 40 HB3 SER 40 -4.285 -10.825 -0.422
348 HG SER 40 HG SER 40 -3.999 -8.002 -0.238
349 H GLY 41 H GLY 41 -2.096 -9.643 -3.030
350 HA2 GLY 41 HA2 GLY 41 -0.690 -11.593 -3.339
351 HA3 GLY 41 HA3 GLY 41 -2.138 -12.574 -3.492
352 H GLN 42 H GLN 42 -2.743 -9.849 -5.291
353 HA GLN 42 HA GLN 42 -1.929 -11.313 -7.756
354 HB2 GLN 42 HB2 GLN 42 -3.865 -9.016 -7.351
355 HB3 GLN 42 HB3 GLN 42 -3.517 -9.783 -8.902
356 HG2 GLN 42 HG2 GLN 42 -4.261 -11.950 -8.021
357 HG3 GLN 42 HG3 GLN 42 -4.581 -11.213 -6.452
358 HE21 GLN 42 HE21 GLN 42 -6.682 -12.476 -7.928
359 HE22 GLN 42 HE22 GLN 42 -7.780 -11.283 -8.433
360 H ALA 43 H ALA 43 -0.091 -10.688 -8.709
361 HA ALA 43 HA ALA 43 0.589 -7.793 -8.748
362 HB1 ALA 43 HB1 ALA 43 2.476 -8.094 -7.556
363 HB2 ALA 43 HB2 ALA 43 2.988 -9.389 -8.638
364 HB3 ALA 43 HB3 ALA 43 1.970 -9.755 -7.244
365 H GLU 44 H GLU 44 1.999 -7.227 -10.560
366 HA GLU 44 HA GLU 44 1.529 -9.004 -12.881
367 HB2 GLU 44 HB2 GLU 44 2.572 -6.160 -12.709
368 HB3 GLU 44 HB3 GLU 44 2.280 -7.039 -14.211
369 HG2 GLU 44 HG2 GLU 44 -0.103 -7.318 -13.559
370 HG3 GLU 44 HG3 GLU 44 0.203 -6.363 -12.107
371 H GLY 45 H GLY 45 4.187 -7.497 -11.087
372 HA2 GLY 45 HA2 GLY 45 6.188 -8.740 -12.846
373 HA3 GLY 45 HA3 GLY 45 6.527 -7.726 -11.441
374 H TYR 46 H TYR 46 5.993 -8.765 -9.274
375 HA TYR 46 HA TYR 46 6.533 -11.702 -9.394
376 HB2 TYR 46 HB2 TYR 46 8.511 -10.801 -8.488
377 HB3 TYR 46 HB3 TYR 46 7.635 -9.570 -7.578
378 HD1 TYR 46 HD1 TYR 46 7.429 -13.315 -7.892
379 HD2 TYR 46 HD2 TYR 46 7.706 -9.926 -5.267
380 HE1 TYR 46 HE1 TYR 46 7.329 -14.819 -5.923
381 HE2 TYR 46 HE2 TYR 46 7.586 -11.412 -3.316
382 HH TYR 46 HH TYR 46 7.393 -13.509 -2.603
383 H SER 47 H SER 47 5.149 -12.998 -8.363
384 HA SER 47 HA SER 47 2.739 -11.911 -7.222
385 HB2 SER 47 HB2 SER 47 2.087 -14.164 -6.878
386 HB3 SER 47 HB3 SER 47 3.109 -14.231 -8.310
387 HG SER 47 HG SER 47 3.985 -15.750 -7.061
388 H TYR 48 H TYR 48 2.106 -12.072 -4.979
389 HA TYR 48 HA TYR 48 4.143 -11.216 -3.150
390 HB2 TYR 48 HB2 TYR 48 1.335 -12.215 -2.646
391 HB3 TYR 48 HB3 TYR 48 2.353 -11.444 -1.438
392 HD1 TYR 48 HD2 TYR 48 0.878 -10.902 -4.831
393 HD2 TYR 48 HD1 TYR 48 2.476 -9.101 -1.273
394 HE1 TYR 48 HE2 TYR 48 0.220 -8.670 -5.664
395 HE2 TYR 48 HE1 TYR 48 1.814 -6.865 -2.113
396 HH TYR 48 HH TYR 48 -0.347 -6.386 -4.533
397 H THR 49 H THR 49 3.992 -12.455 -0.823
398 HA THR 49 HA THR 49 5.479 -14.893 -1.194
399 HB THR 49 HB THR 49 4.132 -13.881 1.328
400 HG1 THR 49 HG1 THR 49 5.508 -12.324 1.075
401 HG21 THR 49 HG21 THR 49 6.114 -15.127 2.353
402 HG22 THR 49 HG22 THR 49 6.343 -15.861 0.766
403 HG23 THR 49 HG23 THR 49 4.844 -16.130 1.655
404 H ASP 50 H ASP 50 4.821 -17.051 -0.747
405 HA ASP 50 HA ASP 50 2.344 -17.900 -1.690
406 HB2 ASP 50 HB2 ASP 50 4.343 -19.356 -1.192
407 HB3 ASP 50 HB3 ASP 50 3.880 -19.302 0.511
408 H ALA 51 H ALA 51 3.175 -16.991 1.653
409 HA ALA 51 HA ALA 51 0.720 -17.851 2.841
410 HB1 ALA 51 HB1 ALA 51 2.763 -17.143 4.114
411 HB2 ALA 51 HB2 ALA 51 1.285 -16.365 4.682
412 HB3 ALA 51 HB3 ALA 51 2.413 -15.474 3.661
413 H ASN 52 H ASN 52 1.683 -14.574 1.796
414 HA ASN 52 HA ASN 52 -0.861 -13.363 2.121
415 HB2 ASN 52 HB2 ASN 52 1.181 -12.057 1.743
416 HB3 ASN 52 HB3 ASN 52 1.337 -12.741 0.127
417 HD21 ASN 52 HD21 ASN 52 1.217 -10.094 -0.063
418 HD22 ASN 52 HD22 ASN 52 -0.338 -9.539 -0.470
419 H ILE 53 H ILE 53 0.570 -15.024 -0.675
420 HA ILE 53 HA ILE 53 -1.601 -14.543 -2.469
421 HB ILE 53 HB ILE 53 0.361 -16.838 -2.389
422 HG12 ILE 53 HG12 ILE 53 0.393 -14.289 -4.029
423 HG13 ILE 53 HG13 ILE 53 1.308 -14.500 -2.536
424 HG21 ILE 53 HG21 ILE 53 -0.198 -17.037 -4.807
425 HG22 ILE 53 HG22 ILE 53 -1.452 -15.816 -4.595
426 HG23 ILE 53 HG23 ILE 53 -1.588 -17.371 -3.773
427 HD11 ILE 53 HD11 ILE 53 2.488 -15.013 -4.809
428 HD12 ILE 53 HD12 ILE 53 1.561 -16.511 -4.763
429 HD13 ILE 53 HD13 ILE 53 2.703 -16.141 -3.471
430 H LYS 54 H LYS 54 -1.014 -17.108 -0.089
431 HA LYS 54 HA LYS 54 -3.122 -18.849 -0.827
432 HB2 LYS 54 HB2 LYS 54 -1.431 -19.382 0.910
433 HB3 LYS 54 HB3 LYS 54 -2.176 -18.187 1.969
434 HG2 LYS 54 HG2 LYS 54 -4.312 -19.433 1.862
435 HG3 LYS 54 HG3 LYS 54 -3.534 -20.653 0.850
436 HD2 LYS 54 HD2 LYS 54 -1.869 -21.032 2.690
437 HD3 LYS 54 HD3 LYS 54 -2.808 -19.936 3.704
438 HE2 LYS 54 HE2 LYS 54 -4.748 -21.377 3.580
439 HE3 LYS 54 HE3 LYS 54 -3.956 -22.415 2.393
440 HZ1 LYS 54 HZ1 LYS 54 -3.549 -22.234 5.273
441 HZ2 LYS 54 HZ2 LYS 54 -2.164 -22.499 4.324
442 HZ3 LYS 54 HZ3 LYS 54 -3.469 -23.583 4.247
443 H LYS 55 H LYS 55 -3.123 -15.977 1.249
444 HA LYS 55 HA LYS 55 -6.086 -16.100 1.409
445 HB2 LYS 55 HB2 LYS 55 -4.013 -14.429 2.856
446 HB3 LYS 55 HB3 LYS 55 -5.749 -14.245 3.078
447 HG2 LYS 55 HG2 LYS 55 -5.879 -16.650 3.741
448 HG3 LYS 55 HG3 LYS 55 -4.122 -16.740 3.625
449 HD2 LYS 55 HD2 LYS 55 -3.952 -14.911 5.315
450 HD3 LYS 55 HD3 LYS 55 -5.708 -14.943 5.482
451 HE2 LYS 55 HE2 LYS 55 -4.346 -17.566 5.741
452 HE3 LYS 55 HE3 LYS 55 -4.041 -16.412 7.039
453 HZ1 LYS 55 HZ1 LYS 55 -6.696 -16.173 6.656
454 HZ2 LYS 55 HZ2 LYS 55 -5.972 -17.149 7.844
455 HZ3 LYS 55 HZ3 LYS 55 -6.459 -17.827 6.365
456 H ASN 56 H ASN 56 -7.220 -14.861 -0.025
457 HA ASN 56 HA ASN 56 -5.895 -12.401 -1.102
458 HB2 ASN 56 HB2 ASN 56 -7.745 -13.426 -3.011
459 HB3 ASN 56 HB3 ASN 56 -6.003 -13.246 -3.182
460 HD21 ASN 56 HD21 ASN 56 -8.575 -15.550 -2.559
461 HD22 ASN 56 HD22 ASN 56 -7.586 -16.927 -2.495
462 H VAL 57 H VAL 57 -7.119 -10.616 -0.795
463 HA VAL 57 HA VAL 57 -10.066 -10.950 -0.513
464 HB VAL 57 HB VAL 57 -8.327 -9.086 1.108
465 HG11 VAL 57 HG11 VAL 57 -11.148 -9.180 0.558
466 HG12 VAL 57 HG12 VAL 57 -10.259 -8.030 1.558
467 HG13 VAL 57 HG13 VAL 57 -10.876 -9.522 2.267
468 HG21 VAL 57 HG21 VAL 57 -7.866 -11.005 2.250
469 HG22 VAL 57 HG22 VAL 57 -9.220 -11.872 1.526
470 HG23 VAL 57 HG23 VAL 57 -9.495 -10.792 2.893
471 H LEU 58 H LEU 58 -11.254 -9.493 -1.696
472 HA LEU 58 HA LEU 58 -10.088 -7.959 -3.748
473 HB2 LEU 58 HB2 LEU 58 -12.495 -8.496 -3.673
474 HB3 LEU 58 HB3 LEU 58 -12.692 -7.406 -2.300
475 HG LEU 58 HG LEU 58 -11.860 -5.524 -3.707
476 HD11 LEU 58 HD11 LEU 58 -11.448 -7.784 -5.582
477 HD12 LEU 58 HD12 LEU 58 -10.582 -6.255 -5.455
478 HD13 LEU 58 HD13 LEU 58 -12.130 -6.325 -6.296
479 HD21 LEU 58 HD21 LEU 58 -14.281 -7.143 -4.428
480 HD22 LEU 58 HD22 LEU 58 -13.885 -5.734 -5.411
481 HD23 LEU 58 HD23 LEU 58 -14.187 -5.547 -3.683
482 H TRP 59 H TRP 59 -9.429 -5.796 -3.877
483 HA TRP 59 HA TRP 59 -8.922 -4.539 -1.244
484 HB2 TRP 59 HB2 TRP 59 -7.581 -4.413 -3.913
485 HB3 TRP 59 HB3 TRP 59 -7.382 -3.077 -2.780
486 HD1 TRP 59 HD1 TRP 59 -5.752 -6.157 -3.667
487 HE1 TRP 59 HE1 TRP 59 -4.319 -7.069 -1.728
488 HE3 TRP 59 HE3 TRP 59 -7.637 -3.403 0.195
489 HZ2 TRP 59 HZ2 TRP 59 -4.026 -6.692 1.090
490 HZ3 TRP 59 HZ3 TRP 59 -6.776 -3.710 2.497
491 HH2 TRP 59 HH2 TRP 59 -4.975 -5.357 2.949
492 H ASP 60 H ASP 60 -9.512 -2.451 -0.803
493 HA ASP 60 HA ASP 60 -10.988 -0.904 -2.855
494 HB2 ASP 60 HB2 ASP 60 -12.640 -2.278 -1.513
495 HB3 ASP 60 HB3 ASP 60 -12.105 -1.401 -0.079
496 H GLU 61 H GLU 61 -11.162 1.400 -2.187
497 HA GLU 61 HA GLU 61 -8.768 2.438 -1.135
498 HB2 GLU 61 HB2 GLU 61 -11.530 3.695 -1.095
499 HB3 GLU 61 HB3 GLU 61 -10.011 4.567 -0.880
500 HG2 GLU 61 HG2 GLU 61 -9.271 3.817 -3.119
501 HG3 GLU 61 HG3 GLU 61 -10.810 2.985 -3.339
502 H ASN 62 H ASN 62 -11.789 1.614 0.528
503 HA ASN 62 HA ASN 62 -10.890 2.648 3.094
504 HB2 ASN 62 HB2 ASN 62 -13.108 0.687 2.430
505 HB3 ASN 62 HB3 ASN 62 -12.876 1.479 3.990
506 HD21 ASN 62 HD21 ASN 62 -12.206 4.101 3.149
507 HD22 ASN 62 HD22 ASN 62 -13.540 4.781 2.338
508 H ASN 63 H ASN 63 -11.115 -0.621 1.659
509 HA ASN 63 HA ASN 63 -10.148 -2.022 3.946
510 HB2 ASN 63 HB2 ASN 63 -9.977 -2.704 1.001
511 HB3 ASN 63 HB3 ASN 63 -9.607 -3.826 2.306
512 HD21 ASN 63 HD21 ASN 63 -11.724 -4.418 0.521
513 HD22 ASN 63 HD22 ASN 63 -13.204 -4.283 1.351
514 H MET 64 H MET 64 -8.433 -0.621 1.162
515 HA MET 64 HA MET 64 -5.859 -1.622 1.837
516 HB2 MET 64 HB2 MET 64 -6.707 0.871 0.353
517 HB3 MET 64 HB3 MET 64 -5.031 0.362 0.495
518 HG2 MET 64 HG2 MET 64 -5.875 -1.922 -0.413
519 HG3 MET 64 HG3 MET 64 -7.300 -1.020 -0.918
520 HE1 MET 64 HE1 MET 64 -3.031 -0.883 -2.411
521 HE2 MET 64 HE2 MET 64 -3.706 -1.661 -0.980
522 HE3 MET 64 HE3 MET 64 -3.305 0.055 -0.937
523 H SER 65 H SER 65 -7.645 1.204 2.990
524 HA SER 65 HA SER 65 -5.506 2.535 4.296
525 HB2 SER 65 HB2 SER 65 -7.203 3.589 5.670
526 HB3 SER 65 HB3 SER 65 -7.858 3.412 4.045
527 HG SER 65 HG SER 65 -8.522 1.217 5.114
528 H GLU 66 H GLU 66 -7.430 -0.271 5.228
529 HA GLU 66 HA GLU 66 -6.510 -0.430 7.943
530 HB2 GLU 66 HB2 GLU 66 -7.461 -2.602 6.049
531 HB3 GLU 66 HB3 GLU 66 -7.217 -2.822 7.781
532 HG2 GLU 66 HG2 GLU 66 -8.862 -1.011 8.221
533 HG3 GLU 66 HG3 GLU 66 -9.142 -0.870 6.485
534 H TYR 67 H TYR 67 -5.262 -1.746 4.876
535 HA TYR 67 HA TYR 67 -3.160 -3.300 6.061
536 HB2 TYR 67 HB2 TYR 67 -3.877 -3.522 3.678
537 HB3 TYR 67 HB3 TYR 67 -3.136 -1.957 3.343
538 HD1 TYR 67 HD1 TYR 67 -0.713 -1.661 3.403
539 HD2 TYR 67 HD2 TYR 67 -2.503 -5.480 4.220
540 HE1 TYR 67 HE1 TYR 67 1.504 -2.747 3.191
541 HE2 TYR 67 HE2 TYR 67 -0.283 -6.565 4.007
542 HH TYR 67 HH TYR 67 2.471 -4.887 2.765
543 H LEU 68 H LEU 68 -3.240 0.053 4.845
544 HA LEU 68 HA LEU 68 -0.531 0.700 5.173
545 HB2 LEU 68 HB2 LEU 68 -2.917 2.461 5.809
546 HB3 LEU 68 HB3 LEU 68 -1.284 3.021 5.463
547 HG LEU 68 HG LEU 68 -3.113 1.528 3.564
548 HD11 LEU 68 HD11 LEU 68 -2.796 3.665 2.233
549 HD12 LEU 68 HD12 LEU 68 -2.046 4.361 3.669
550 HD13 LEU 68 HD13 LEU 68 -3.732 3.848 3.716
551 HD21 LEU 68 HD21 LEU 68 -0.192 2.206 3.485
552 HD22 LEU 68 HD22 LEU 68 -1.113 2.236 1.982
553 HD23 LEU 68 HD23 LEU 68 -1.012 0.749 2.925
554 H THR 69 H THR 69 -3.048 0.354 7.621
555 HA THR 69 HA THR 69 -1.823 1.608 9.806
556 HB THR 69 HB THR 69 -3.302 -1.035 9.889
557 HG1 THR 69 HG1 THR 69 -4.168 1.074 8.807
558 HG21 THR 69 HG21 THR 69 -2.334 -0.490 12.015
559 HG22 THR 69 HG22 THR 69 -4.046 -0.072 12.104
560 HG23 THR 69 HG23 THR 69 -2.839 1.193 11.874
561 H ASN 70 H ASN 70 -1.245 -1.662 8.516
562 HA ASN 70 HA ASN 70 1.439 -1.635 9.715
563 HB2 ASN 70 HB2 ASN 70 -0.189 -2.513 11.487
564 HB3 ASN 70 HB3 ASN 70 -0.417 -3.907 10.433
565 HD21 ASN 70 HD21 ASN 70 1.099 -5.576 10.644
566 HD22 ASN 70 HD22 ASN 70 2.596 -5.425 11.442
567 H HIS 71 H HIS 71 2.607 -3.773 9.082
568 HA HIS 71 HA HIS 71 1.745 -4.447 6.308
569 HB2 HIS 71 HB2 HIS 71 4.351 -4.116 7.647
570 HB3 HIS 71 HB3 HIS 71 4.255 -5.514 6.576
571 HD1 HIS 71 HD1 HIS 71 2.741 -2.034 6.258
572 HD2 HIS 71 HD2 HIS 71 5.228 -4.627 4.128
573 HE1 HIS 71 HE1 HIS 71 3.212 -0.914 4.036
574 H ALA 72 H ALA 72 1.004 -6.453 5.864
575 HA ALA 72 HA ALA 72 0.768 -8.794 6.005
576 HB1 ALA 72 HB1 ALA 72 2.425 -9.994 7.026
577 HB2 ALA 72 HB2 ALA 72 2.393 -9.001 8.478
578 HB3 ALA 72 HB3 ALA 72 3.217 -8.423 7.032
579 H LYS 73 H LYS 73 0.245 -6.685 8.731
580 HA LYS 73 HA LYS 73 -1.004 -8.481 10.529
581 HB2 LYS 73 HB2 LYS 73 -0.529 -6.090 11.035
582 HB3 LYS 73 HB3 LYS 73 -1.841 -5.624 9.950
583 HG2 LYS 73 HG2 LYS 73 -3.426 -6.939 11.338
584 HG3 LYS 73 HG3 LYS 73 -2.107 -7.330 12.443
585 HD2 LYS 73 HD2 LYS 73 -1.752 -4.881 12.812
586 HD3 LYS 73 HD3 LYS 73 -3.172 -4.562 11.816
587 HE2 LYS 73 HE2 LYS 73 -4.645 -5.424 13.391
588 HE3 LYS 73 HE3 LYS 73 -3.424 -6.478 14.106
589 HZ1 LYS 73 HZ1 LYS 73 -2.796 -4.894 15.515
590 HZ2 LYS 73 HZ2 LYS 73 -4.220 -4.072 15.086
591 HZ3 LYS 73 HZ3 LYS 73 -2.754 -3.701 14.310
592 H TYR 74 H TYR 74 -2.370 -6.738 7.738
593 HA TYR 74 HA TYR 74 -5.052 -7.699 8.076
594 HB2 TYR 74 HB2 TYR 74 -4.385 -5.805 6.565
595 HB3 TYR 74 HB3 TYR 74 -3.663 -6.989 5.475
596 HD1 TYR 74 HD2 TYR 74 -6.829 -5.765 6.940
597 HD2 TYR 74 HD1 TYR 74 -5.028 -8.457 4.121
598 HE1 TYR 74 HE2 TYR 74 -9.052 -6.191 5.928
599 HE2 TYR 74 HE1 TYR 74 -7.249 -8.883 3.109
600 HH TYR 74 HH TYR 74 -10.180 -7.275 4.361
601 H ILE 75 H ILE 75 -2.199 -9.010 6.459
602 HA ILE 75 HA ILE 75 -3.739 -11.518 5.912
603 HB ILE 75 HB ILE 75 -1.375 -11.556 4.383
604 HG12 ILE 75 HG12 ILE 75 -2.781 -8.882 4.132
605 HG13 ILE 75 HG13 ILE 75 -1.198 -9.109 4.876
606 HG21 ILE 75 HG21 ILE 75 -4.131 -10.720 3.456
607 HG22 ILE 75 HG22 ILE 75 -3.689 -12.390 3.817
608 HG23 ILE 75 HG23 ILE 75 -2.881 -11.527 2.509
609 HD11 ILE 75 HD11 ILE 75 -1.959 -9.693 2.002
610 HD12 ILE 75 HD12 ILE 75 -0.415 -10.148 2.724
611 HD13 ILE 75 HD13 ILE 75 -0.851 -8.445 2.574
612 HA PRO 76 HA PRO 76 -0.702 -12.465 9.295
613 HB2 PRO 76 HB2 PRO 76 -2.547 -14.794 9.483
614 HB3 PRO 76 HB3 PRO 76 -1.933 -13.736 10.766
615 HG2 PRO 76 HG2 PRO 76 -4.453 -13.581 9.879
616 HG3 PRO 76 HG3 PRO 76 -3.553 -12.159 10.430
617 HD2 PRO 76 HD2 PRO 76 -4.258 -12.975 7.647
618 HD3 PRO 76 HD3 PRO 76 -4.031 -11.348 8.326
619 H GLY 77 H GLY 77 1.039 -13.865 9.135
620 HA2 GLY 77 HA2 GLY 77 2.188 -15.851 8.415
621 HA3 GLY 77 HA3 GLY 77 0.861 -16.182 7.297
622 H THR 78 H THR 78 1.384 -12.986 6.966
623 HA THR 78 HA THR 78 3.089 -13.419 4.583
624 HB THR 78 HB THR 78 1.332 -11.095 5.410
625 HG1 THR 78 HG1 THR 78 0.917 -13.371 4.109
626 HG21 THR 78 HG21 THR 78 1.862 -10.234 3.111
627 HG22 THR 78 HG22 THR 78 3.114 -11.471 2.993
628 HG23 THR 78 HG23 THR 78 3.238 -10.204 4.214
629 H LYS 79 H LYS 79 4.899 -11.954 4.184
630 HA LYS 79 HA LYS 79 6.543 -11.563 6.493
631 HB2 LYS 79 HB2 LYS 79 6.817 -10.365 3.721
632 HB3 LYS 79 HB3 LYS 79 8.089 -10.427 4.942
633 HG2 LYS 79 HG2 LYS 79 7.788 -12.948 4.972
634 HG3 LYS 79 HG3 LYS 79 6.757 -12.763 3.552
635 HD2 LYS 79 HD2 LYS 79 9.625 -11.793 3.741
636 HD3 LYS 79 HD3 LYS 79 9.118 -13.282 2.946
637 HE2 LYS 79 HE2 LYS 79 9.057 -11.905 1.111
638 HE3 LYS 79 HE3 LYS 79 7.441 -11.563 1.728
639 HZ1 LYS 79 HZ1 LYS 79 9.848 -10.008 2.488
640 HZ2 LYS 79 HZ2 LYS 79 8.226 -9.626 2.815
641 HZ3 LYS 79 HZ3 LYS 79 8.811 -9.565 1.222
642 H MET 80 H MET 80 7.196 -9.644 7.527
643 HA MET 80 HA MET 80 5.226 -7.420 7.364
644 HB2 MET 80 HB2 MET 80 7.308 -8.141 9.449
645 HB3 MET 80 HB3 MET 80 6.279 -6.711 9.535
646 HG2 MET 80 HG2 MET 80 4.276 -8.182 9.456
647 HG3 MET 80 HG3 MET 80 5.335 -9.592 9.466
648 HE1 MET 80 HE1 MET 80 3.143 -9.421 11.319
649 HE2 MET 80 HE2 MET 80 3.709 -9.563 12.982
650 HE3 MET 80 HE3 MET 80 4.338 -10.652 11.748
651 H ALA 81 H ALA 81 6.261 -5.154 7.693
652 HA ALA 81 HA ALA 81 9.027 -4.856 6.853
653 HB1 ALA 81 HB1 ALA 81 7.420 -5.422 4.778
654 HB2 ALA 81 HB2 ALA 81 8.801 -4.336 4.641
655 HB3 ALA 81 HB3 ALA 81 7.180 -3.676 4.852
656 H PHE 82 H PHE 82 5.921 -3.036 6.603
657 HA PHE 82 HA PHE 82 7.365 -0.640 7.570
658 HB2 PHE 82 HB2 PHE 82 5.604 -0.664 5.654
659 HB3 PHE 82 HB3 PHE 82 4.414 -0.753 6.952
660 HD1 PHE 82 HD1 PHE 82 7.177 1.257 5.527
661 HD2 PHE 82 HD2 PHE 82 3.953 1.137 8.352
662 HE1 PHE 82 HE1 PHE 82 7.419 3.694 5.900
663 HE2 PHE 82 HE2 PHE 82 4.194 3.572 8.736
664 HZ PHE 82 HZ PHE 82 5.929 4.853 7.500
665 H GLY 83 H GLY 83 7.241 0.056 9.661
666 HA2 GLY 83 HA2 GLY 83 6.139 -1.546 11.726
667 HA3 GLY 83 HA3 GLY 83 6.609 0.142 11.918
668 H GLY 84 H GLY 84 4.784 1.294 10.057
669 HA2 GLY 84 HA2 GLY 84 2.211 0.918 9.803
670 HA3 GLY 84 HA3 GLY 84 2.242 0.885 11.565
671 H LEU 85 H LEU 85 0.945 2.829 9.701
672 HA LEU 85 HA LEU 85 2.459 5.322 10.166
673 HB2 LEU 85 HB2 LEU 85 -0.188 4.758 8.808
674 HB3 LEU 85 HB3 LEU 85 0.582 6.341 8.879
675 HG LEU 85 HG LEU 85 2.028 3.925 7.775
676 HD11 LEU 85 HD11 LEU 85 0.848 5.953 5.939
677 HD12 LEU 85 HD12 LEU 85 -0.236 4.719 6.582
678 HD13 LEU 85 HD13 LEU 85 1.188 4.247 5.656
679 HD21 LEU 85 HD21 LEU 85 2.657 6.478 6.590
680 HD22 LEU 85 HD22 LEU 85 3.715 5.390 7.481
681 HD23 LEU 85 HD23 LEU 85 2.772 6.602 8.344
682 H LYS 86 H LYS 86 2.336 5.525 12.442
683 HA LYS 86 HA LYS 86 -0.014 5.203 14.003
684 HB2 LYS 86 HB2 LYS 86 2.403 6.976 14.449
685 HB3 LYS 86 HB3 LYS 86 1.189 6.611 15.672
686 HG2 LYS 86 HG2 LYS 86 1.682 4.181 15.386
687 HG3 LYS 86 HG3 LYS 86 2.975 4.609 14.265
688 HD2 LYS 86 HD2 LYS 86 4.026 5.983 16.072
689 HD3 LYS 86 HD3 LYS 86 2.787 5.402 17.185
690 HE2 LYS 86 HE2 LYS 86 3.921 3.151 15.810
691 HE3 LYS 86 HE3 LYS 86 5.228 4.123 16.485
692 HZ1 LYS 86 HZ1 LYS 86 4.676 2.819 18.262
693 HZ2 LYS 86 HZ2 LYS 86 3.027 2.750 17.859
694 HZ3 LYS 86 HZ3 LYS 86 3.676 4.157 18.556
695 H LYS 87 H LYS 87 1.225 7.984 12.204
696 HA LYS 87 HA LYS 87 -0.932 9.704 13.241
697 HB2 LYS 87 HB2 LYS 87 1.226 10.202 11.168
698 HB3 LYS 87 HB3 LYS 87 0.083 11.418 11.738
699 HG2 LYS 87 HG2 LYS 87 0.904 11.042 14.067
700 HG3 LYS 87 HG3 LYS 87 2.118 9.933 13.425
701 HD2 LYS 87 HD2 LYS 87 2.987 11.784 11.988
702 HD3 LYS 87 HD3 LYS 87 1.843 12.880 12.764
703 HE2 LYS 87 HE2 LYS 87 3.957 11.279 14.234
704 HE3 LYS 87 HE3 LYS 87 4.112 12.981 13.798
705 HZ1 LYS 87 HZ1 LYS 87 1.774 12.039 15.324
706 HZ2 LYS 87 HZ2 LYS 87 2.446 13.597 15.250
707 HZ3 LYS 87 HZ3 LYS 87 3.235 12.368 16.120
708 H GLU 88 H GLU 88 -2.867 9.933 12.243
709 HA GLU 88 HA GLU 88 -3.587 8.363 9.959
710 HB2 GLU 88 HB2 GLU 88 -4.950 10.756 11.206
711 HB3 GLU 88 HB3 GLU 88 -5.684 9.713 9.990
712 HG2 GLU 88 HG2 GLU 88 -5.369 7.767 11.505
713 HG3 GLU 88 HG3 GLU 88 -4.715 8.852 12.732
714 H LYS 89 H LYS 89 -2.367 11.626 10.330
715 HA LYS 89 HA LYS 89 -3.087 12.737 7.835
716 HB2 LYS 89 HB2 LYS 89 -1.894 13.898 9.746
717 HB3 LYS 89 HB3 LYS 89 -0.415 13.119 9.201
718 HG2 LYS 89 HG2 LYS 89 -0.709 14.153 6.965
719 HG3 LYS 89 HG3 LYS 89 -2.148 14.984 7.556
720 HD2 LYS 89 HD2 LYS 89 -0.734 16.045 9.336
721 HD3 LYS 89 HD3 LYS 89 0.685 15.318 8.581
722 HE2 LYS 89 HE2 LYS 89 0.420 16.593 6.597
723 HE3 LYS 89 HE3 LYS 89 -1.234 17.045 7.014
724 HZ1 LYS 89 HZ1 LYS 89 0.787 18.661 7.417
725 HZ2 LYS 89 HZ2 LYS 89 0.890 17.795 8.875
726 HZ3 LYS 89 HZ3 LYS 89 -0.540 18.618 8.472
727 H ASP 90 H ASP 90 -0.199 10.831 8.684
728 HA ASP 90 HA ASP 90 0.932 10.830 6.060
729 HB2 ASP 90 HB2 ASP 90 1.166 8.813 8.316
730 HB3 ASP 90 HB3 ASP 90 2.168 8.806 6.865
731 H ARG 91 H ARG 91 -1.025 8.324 7.720
732 HA ARG 91 HA ARG 91 -1.276 6.595 5.485
733 HB2 ARG 91 HB2 ARG 91 -1.919 5.979 7.801
734 HB3 ARG 91 HB3 ARG 91 -3.300 7.071 7.688
735 HG2 ARG 91 HG2 ARG 91 -4.214 5.782 5.826
736 HG3 ARG 91 HG3 ARG 91 -2.801 4.728 5.833
737 HD2 ARG 91 HD2 ARG 91 -4.554 3.583 7.030
738 HD3 ARG 91 HD3 ARG 91 -3.372 4.127 8.222
739 HE ARG 91 HE ARG 91 -5.312 6.171 7.992
740 HH11 ARG 91 HH21 ARG 91 -5.033 2.861 8.915
741 HH12 ARG 91 HH22 ARG 91 -6.321 2.936 10.070
742 HH21 ARG 91 HH11 ARG 91 -6.995 6.289 9.497
743 HH22 ARG 91 HH12 ARG 91 -7.432 4.876 10.400
744 H ASN 92 H ASN 92 -3.349 9.321 6.490
745 HA ASN 92 HA ASN 92 -5.316 8.948 4.454
746 HB2 ASN 92 HB2 ASN 92 -4.432 11.444 5.921
747 HB3 ASN 92 HB3 ASN 92 -5.845 11.362 4.876
748 HD21 ASN 92 HD21 ASN 92 -6.512 12.012 7.397
749 HD22 ASN 92 HD22 ASN 92 -7.139 10.690 8.259
750 H ASP 93 H ASP 93 -2.378 10.961 4.526
751 HA ASP 93 HA ASP 93 -2.751 12.117 1.938
752 HB2 ASP 93 HB2 ASP 93 -0.217 11.560 3.506
753 HB3 ASP 93 HB3 ASP 93 -0.280 12.539 2.039
754 H LEU 94 H LEU 94 -1.149 9.147 2.999
755 HA LEU 94 HA LEU 94 0.090 8.369 0.602
756 HB2 LEU 94 HB2 LEU 94 -0.696 7.119 3.068
757 HB3 LEU 94 HB3 LEU 94 -1.087 6.046 1.725
758 HG LEU 94 HG LEU 94 1.609 7.329 2.233
759 HD11 LEU 94 HD11 LEU 94 2.330 5.185 2.944
760 HD12 LEU 94 HD12 LEU 94 0.888 4.401 2.298
761 HD13 LEU 94 HD13 LEU 94 0.773 5.411 3.736
762 HD21 LEU 94 HD21 LEU 94 0.406 5.949 -0.081
763 HD22 LEU 94 HD22 LEU 94 1.967 5.297 0.420
764 HD23 LEU 94 HD23 LEU 94 1.820 7.000 -0.011
765 H ILE 95 H ILE 95 -3.058 7.133 1.706
766 HA ILE 95 HA ILE 95 -3.847 5.970 -0.698
767 HB ILE 95 HB ILE 95 -5.578 7.306 1.391
768 HG12 ILE 95 HG12 ILE 95 -4.599 4.448 1.070
769 HG13 ILE 95 HG13 ILE 95 -4.020 5.599 2.274
770 HG21 ILE 95 HG21 ILE 95 -6.202 6.065 -1.114
771 HG22 ILE 95 HG22 ILE 95 -7.310 6.706 0.097
772 HG23 ILE 95 HG23 ILE 95 -6.778 5.028 0.189
773 HD11 ILE 95 HD11 ILE 95 -5.706 5.013 3.641
774 HD12 ILE 95 HD12 ILE 95 -6.312 3.889 2.426
775 HD13 ILE 95 HD13 ILE 95 -6.866 5.564 2.432
776 H THR 96 H THR 96 -4.128 9.345 0.324
777 HA THR 96 HA THR 96 -5.821 10.277 -1.730
778 HB THR 96 HB THR 96 -3.424 11.758 -0.616
779 HG1 THR 96 HG1 THR 96 -5.212 10.658 0.801
780 HG21 THR 96 HG21 THR 96 -4.856 12.657 -2.562
781 HG22 THR 96 HG22 THR 96 -4.612 13.716 -1.172
782 HG23 THR 96 HG23 THR 96 -6.131 12.842 -1.360
783 H TYR 97 H TYR 97 -2.327 9.667 -1.700
784 HA TYR 97 HA TYR 97 -2.020 10.566 -4.470
785 HB2 TYR 97 HB2 TYR 97 -0.142 10.930 -3.017
786 HB3 TYR 97 HB3 TYR 97 -0.135 9.239 -2.514
787 HD1 TYR 97 HD2 TYR 97 0.406 11.507 -5.420
788 HD2 TYR 97 HD1 TYR 97 0.942 7.566 -3.802
789 HE1 TYR 97 HE2 TYR 97 1.894 10.928 -7.319
790 HE2 TYR 97 HE1 TYR 97 2.427 6.985 -5.697
791 HH TYR 97 HH TYR 97 3.524 7.769 -7.479
792 H LEU 98 H LEU 98 -1.833 7.435 -2.754
793 HA LEU 98 HA LEU 98 -1.280 5.779 -4.953
794 HB2 LEU 98 HB2 LEU 98 -3.193 5.165 -2.687
795 HB3 LEU 98 HB3 LEU 98 -2.386 3.983 -3.707
796 HG LEU 98 HG LEU 98 -0.922 5.980 -1.955
797 HD11 LEU 98 HD11 LEU 98 -0.397 3.829 -0.643
798 HD12 LEU 98 HD12 LEU 98 -1.760 3.111 -1.502
799 HD13 LEU 98 HD13 LEU 98 -2.016 4.500 -0.446
800 HD21 LEU 98 HD21 LEU 98 0.550 5.325 -3.661
801 HD22 LEU 98 HD22 LEU 98 -0.124 3.698 -3.749
802 HD23 LEU 98 HD23 LEU 98 0.894 4.160 -2.385
803 H LYS 99 H LYS 99 -4.485 6.766 -3.739
804 HA LYS 99 HA LYS 99 -5.991 5.527 -5.818
805 HB2 LYS 99 HB2 LYS 99 -7.032 6.341 -3.756
806 HB3 LYS 99 HB3 LYS 99 -6.622 7.994 -4.188
807 HG2 LYS 99 HG2 LYS 99 -8.016 7.762 -6.253
808 HG3 LYS 99 HG3 LYS 99 -8.487 6.152 -5.708
809 HD2 LYS 99 HD2 LYS 99 -9.427 7.137 -3.641
810 HD3 LYS 99 HD3 LYS 99 -8.978 8.743 -4.212
811 HE2 LYS 99 HE2 LYS 99 -10.666 8.817 -5.757
812 HE3 LYS 99 HE3 LYS 99 -10.571 7.089 -6.095
813 HZ1 LYS 99 HZ1 LYS 99 -11.471 7.852 -3.434
814 HZ2 LYS 99 HZ2 LYS 99 -11.997 6.589 -4.441
815 HZ3 LYS 99 HZ3 LYS 99 -12.541 8.176 -4.711
816 H LYS 100 H LYS 100 -4.499 8.729 -5.566
817 HA LYS 100 HA LYS 100 -5.570 9.871 -7.942
818 HB2 LYS 100 HB2 LYS 100 -4.185 11.033 -6.154
819 HB3 LYS 100 HB3 LYS 100 -2.764 10.299 -6.889
820 HG2 LYS 100 HG2 LYS 100 -3.352 11.361 -9.054
821 HG3 LYS 100 HG3 LYS 100 -4.726 12.147 -8.277
822 HD2 LYS 100 HD2 LYS 100 -3.130 13.213 -6.661
823 HD3 LYS 100 HD3 LYS 100 -1.799 12.535 -7.599
824 HE2 LYS 100 HE2 LYS 100 -3.472 14.865 -8.170
825 HE3 LYS 100 HE3 LYS 100 -1.906 14.417 -8.847
826 HZ1 LYS 100 HZ1 LYS 100 -3.047 12.825 -10.286
827 HZ2 LYS 100 HZ2 LYS 100 -3.594 14.412 -10.552
828 HZ3 LYS 100 HZ3 LYS 100 -4.544 13.321 -9.660
829 H ALA 101 H ALA 101 -2.681 7.910 -7.394
830 HA ALA 101 HA ALA 101 -1.803 7.937 -10.145
831 HB1 ALA 101 HB1 ALA 101 -1.037 6.576 -7.647
832 HB2 ALA 101 HB2 ALA 101 -0.018 7.182 -8.952
833 HB3 ALA 101 HB3 ALA 101 -0.785 5.601 -9.094
834 H THR 102 H THR 102 -3.561 5.549 -8.165
835 HA THR 102 HA THR 102 -4.034 3.696 -10.293
836 HB THR 102 HB THR 102 -5.794 4.227 -7.877
837 HG1 THR 102 HG1 THR 102 -4.102 2.118 -7.746
838 HG21 THR 102 HG21 THR 102 -6.223 2.575 -10.046
839 HG22 THR 102 HG22 THR 102 -6.929 2.353 -8.445
840 HG23 THR 102 HG23 THR 102 -5.454 1.492 -8.886
841 H GLU 103 H GLU 103 -5.610 6.652 -9.255
842 HA GLU 103 HA GLU 103 -7.977 6.284 -10.911
843 HB2 GLU 103 HB2 GLU 103 -7.909 7.779 -8.904
844 HB3 GLU 103 HB3 GLU 103 -6.827 8.856 -9.788
845 HG2 GLU 103 HG2 GLU 103 -8.566 9.091 -11.560
846 HG3 GLU 103 HG3 GLU 103 -9.654 8.103 -10.585
847 HHA HEC 104 HA HEC 104 2.774 -6.178 0.617
848 HHB HEC 104 HB HEC 104 1.481 0.040 0.758
849 HHC HEC 104 HC HEC 104 7.333 1.173 2.859
850 HHD HEC 104 HD HEC 104 8.693 -4.958 2.427
851 HMA1 HEC 104 1HMA HEC 104 -1.120 -2.505 0.219
852 HMA2 HEC 104 2HMA HEC 104 -0.254 -1.870 -1.176
853 HMA3 HEC 104 3HMA HEC 104 -0.339 -0.950 0.318
854 HAA1 HEC 104 1HAA HEC 104 0.774 -5.963 -0.047
855 HAA2 HEC 104 2HAA HEC 104 -0.125 -5.278 1.284
856 HBA1 HEC 104 1HBA HEC 104 -0.671 -4.071 -1.361
857 HBA2 HEC 104 2HBA HEC 104 -1.791 -4.573 -0.092
858 HMB1 HEC 104 1HMB HEC 104 1.843 2.337 2.473
859 HMB2 HEC 104 2HMB HEC 104 2.816 3.459 1.521
860 HMB3 HEC 104 3HMB HEC 104 1.806 2.264 0.710
861 HAB HEC 104 HAB HEC 104 6.480 3.034 2.317
862 HBB1 HEC 104 1HBB HEC 104 4.579 4.955 2.800
863 HBB2 HEC 104 2HBB HEC 104 5.461 4.060 4.036
864 HBB3 HEC 104 3HBB HEC 104 3.866 3.511 3.525
865 HMC1 HEC 104 1HMC HEC 104 9.991 0.711 2.921
866 HMC2 HEC 104 2HMC HEC 104 9.025 0.553 4.390
867 HMC3 HEC 104 3HMC HEC 104 10.464 -0.442 4.170
868 HAC HEC 104 HAC HEC 104 10.558 -3.820 2.419
869 HBC1 HEC 104 1HBC HEC 104 11.955 -2.622 4.516
870 HBC2 HEC 104 2HBC HEC 104 10.284 -2.652 5.078
871 HBC3 HEC 104 3HBC HEC 104 11.078 -4.151 4.595
872 HMD1 HEC 104 1HMD HEC 104 7.972 -8.014 1.429
873 HMD2 HEC 104 2HMD HEC 104 6.966 -8.180 2.869
874 HMD3 HEC 104 3HMD HEC 104 8.266 -7.010 2.839
875 HAD1 HEC 104 1HAD HEC 104 4.150 -7.814 -0.116
876 HAD2 HEC 104 2HAD HEC 104 4.096 -8.435 1.522
877 HBD1 HEC 104 1HBD HEC 104 6.232 -9.476 1.278
878 HBD2 HEC 104 2HBD HEC 104 6.571 -8.588 -0.208
Start of MODEL 7
1 H1 THR -5 H1 THR -5 -15.762 3.321 0.847
2 H2 THR -5 H2 THR -5 -17.258 4.126 0.874
3 H3 THR -5 H3 THR -5 -15.916 4.794 1.674
4 HA THR -5 HA THR -5 -15.232 4.357 -1.018
5 HB THR -5 HB THR -5 -16.957 6.286 -1.706
6 HG1 THR -5 HG1 THR -5 -17.876 6.073 0.482
7 HG21 THR -5 HG21 THR -5 -16.849 4.350 -3.037
8 HG22 THR -5 HG22 THR -5 -18.509 4.341 -2.444
9 HG23 THR -5 HG23 THR -5 -17.300 3.295 -1.699
10 H GLU -4 H GLU -4 -16.710 7.384 -0.190
11 HA GLU -4 HA GLU -4 -14.290 8.854 -0.364
12 HB2 GLU -4 HB2 GLU -4 -16.857 9.568 1.088
13 HB3 GLU -4 HB3 GLU -4 -15.573 10.707 0.682
14 HG2 GLU -4 HG2 GLU -4 -15.869 10.148 -1.723
15 HG3 GLU -4 HG3 GLU -4 -17.205 9.079 -1.289
16 H PHE -3 H PHE -3 -12.839 9.586 1.211
17 HA PHE -3 HA PHE -3 -13.304 8.690 4.009
18 HB2 PHE -3 HB2 PHE -3 -11.055 7.791 4.172
19 HB3 PHE -3 HB3 PHE -3 -11.853 7.028 2.797
20 HD1 PHE -3 HD1 PHE -3 -11.384 7.873 0.464
21 HD2 PHE -3 HD2 PHE -3 -9.128 9.157 3.883
22 HE1 PHE -3 HE1 PHE -3 -9.594 8.712 -1.032
23 HE2 PHE -3 HE2 PHE -3 -7.336 9.997 2.388
24 HZ PHE -3 HZ PHE -3 -7.571 9.773 -0.071
25 H LYS -2 H LYS -2 -11.853 9.863 5.554
26 HA LYS -2 HA LYS -2 -11.718 12.678 4.864
27 HB2 LYS -2 HB2 LYS -2 -12.226 11.811 7.167
28 HB3 LYS -2 HB3 LYS -2 -10.553 11.269 7.283
29 HG2 LYS -2 HG2 LYS -2 -10.493 13.376 8.322
30 HG3 LYS -2 HG3 LYS -2 -9.955 13.734 6.682
31 HD2 LYS -2 HD2 LYS -2 -12.151 14.534 6.061
32 HD3 LYS -2 HD3 LYS -2 -12.837 13.977 7.587
33 HE2 LYS -2 HE2 LYS -2 -10.530 15.770 7.915
34 HE3 LYS -2 HE3 LYS -2 -11.907 16.526 7.113
35 HZ1 LYS -2 HZ1 LYS -2 -11.820 15.238 9.774
36 HZ2 LYS -2 HZ2 LYS -2 -13.285 15.532 8.966
37 HZ3 LYS -2 HZ3 LYS -2 -12.271 16.828 9.390
38 H ALA -1 H ALA -1 -9.981 13.786 4.073
39 HA ALA -1 HA ALA -1 -7.323 12.429 4.123
40 HB1 ALA -1 HB1 ALA -1 -8.869 13.549 1.861
41 HB2 ALA -1 HB2 ALA -1 -7.651 12.275 1.870
42 HB3 ALA -1 HB3 ALA -1 -7.156 13.966 1.891
43 H GLY 1 H GLY 1 -5.775 14.460 3.103
44 HA2 GLY 1 HA2 GLY 1 -6.410 16.906 4.639
45 HA3 GLY 1 HA3 GLY 1 -4.932 16.049 5.074
46 H SER 2 H SER 2 -3.515 15.513 3.046
47 HA SER 2 HA SER 2 -3.728 17.536 0.919
48 HB2 SER 2 HB2 SER 2 -1.062 17.402 2.220
49 HB3 SER 2 HB3 SER 2 -1.860 18.763 1.442
50 HG SER 2 HG SER 2 -3.085 17.789 3.721
51 H ALA 3 H ALA 3 -3.464 16.313 -0.872
52 HA ALA 3 HA ALA 3 -2.196 13.735 -0.855
53 HB1 ALA 3 HB1 ALA 3 -2.870 13.585 -3.052
54 HB2 ALA 3 HB2 ALA 3 -2.443 15.259 -3.406
55 HB3 ALA 3 HB3 ALA 3 -3.929 14.895 -2.528
56 H LYS 4 H LYS 4 -1.051 16.985 -1.599
57 HA LYS 4 HA LYS 4 1.349 16.311 -2.951
58 HB2 LYS 4 HB2 LYS 4 0.848 18.594 -1.017
59 HB3 LYS 4 HB3 LYS 4 2.184 18.502 -2.161
60 HG2 LYS 4 HG2 LYS 4 0.878 19.346 -3.781
61 HG3 LYS 4 HG3 LYS 4 -0.232 17.989 -3.597
62 HD2 LYS 4 HD2 LYS 4 -0.292 20.412 -1.779
63 HD3 LYS 4 HD3 LYS 4 -1.256 20.298 -3.251
64 HE2 LYS 4 HE2 LYS 4 -1.405 18.503 -0.815
65 HE3 LYS 4 HE3 LYS 4 -2.659 19.556 -1.449
66 HZ1 LYS 4 HZ1 LYS 4 -3.097 17.304 -2.100
67 HZ2 LYS 4 HZ2 LYS 4 -1.552 17.154 -2.790
68 HZ3 LYS 4 HZ3 LYS 4 -2.692 18.208 -3.477
69 H LYS 5 H LYS 5 0.760 16.706 0.559
70 HA LYS 5 HA LYS 5 3.445 16.091 1.339
71 HB2 LYS 5 HB2 LYS 5 0.835 15.782 2.830
72 HB3 LYS 5 HB3 LYS 5 2.426 15.640 3.569
73 HG2 LYS 5 HG2 LYS 5 2.951 17.954 2.789
74 HG3 LYS 5 HG3 LYS 5 1.298 18.089 2.186
75 HD2 LYS 5 HD2 LYS 5 0.464 17.619 4.496
76 HD3 LYS 5 HD3 LYS 5 2.134 17.633 5.065
77 HE2 LYS 5 HE2 LYS 5 2.206 19.975 3.848
78 HE3 LYS 5 HE3 LYS 5 0.457 19.907 4.060
79 HZ1 LYS 5 HZ1 LYS 5 1.170 19.211 6.474
80 HZ2 LYS 5 HZ2 LYS 5 1.057 20.846 6.024
81 HZ3 LYS 5 HZ3 LYS 5 2.572 20.078 6.074
82 H GLY 6 H GLY 6 0.536 14.080 1.007
83 HA2 GLY 6 HA2 GLY 6 1.814 11.634 1.838
84 HA3 GLY 6 HA3 GLY 6 0.296 11.742 0.947
85 H ALA 7 H ALA 7 1.526 13.309 -1.238
86 HA ALA 7 HA ALA 7 2.221 11.171 -2.967
87 HB1 ALA 7 HB1 ALA 7 2.748 12.840 -4.593
88 HB2 ALA 7 HB2 ALA 7 3.109 14.035 -3.347
89 HB3 ALA 7 HB3 ALA 7 1.445 13.515 -3.615
90 H THR 8 H THR 8 4.324 13.492 -1.259
91 HA THR 8 HA THR 8 6.741 12.269 -2.291
92 HB THR 8 HB THR 8 7.902 13.746 -0.768
93 HG1 THR 8 HG1 THR 8 6.923 13.843 1.099
94 HG21 THR 8 HG21 THR 8 6.749 15.930 -1.348
95 HG22 THR 8 HG22 THR 8 5.446 14.964 -2.039
96 HG23 THR 8 HG23 THR 8 7.071 14.866 -2.717
97 H LEU 9 H LEU 9 4.707 11.801 0.535
98 HA LEU 9 HA LEU 9 6.496 10.432 2.226
99 HB2 LEU 9 HB2 LEU 9 4.120 11.075 2.770
100 HB3 LEU 9 HB3 LEU 9 3.586 9.717 1.781
101 HG LEU 9 HG LEU 9 4.977 8.199 3.217
102 HD11 LEU 9 HD11 LEU 9 5.386 9.410 5.559
103 HD12 LEU 9 HD12 LEU 9 5.529 10.833 4.527
104 HD13 LEU 9 HD13 LEU 9 6.601 9.456 4.282
105 HD21 LEU 9 HD21 LEU 9 3.013 9.801 4.867
106 HD22 LEU 9 HD22 LEU 9 3.346 8.071 4.954
107 HD23 LEU 9 HD23 LEU 9 2.492 8.737 3.561
108 H PHE 10 H PHE 10 4.463 9.148 -0.400
109 HA PHE 10 HA PHE 10 5.358 6.428 -0.153
110 HB2 PHE 10 HB2 PHE 10 3.328 7.048 -1.421
111 HB3 PHE 10 HB3 PHE 10 4.324 7.916 -2.591
112 HD1 PHE 10 HD1 PHE 10 6.101 6.610 -3.887
113 HD2 PHE 10 HD2 PHE 10 2.982 4.707 -1.622
114 HE1 PHE 10 HE1 PHE 10 6.459 4.514 -5.157
115 HE2 PHE 10 HE2 PHE 10 3.345 2.606 -2.894
116 HZ PHE 10 HZ PHE 10 5.086 2.510 -4.666
117 H LYS 11 H LYS 11 6.404 9.142 -2.193
118 HA LYS 11 HA LYS 11 8.411 7.744 -3.618
119 HB2 LYS 11 HB2 LYS 11 8.261 10.672 -2.871
120 HB3 LYS 11 HB3 LYS 11 9.348 9.996 -4.079
121 HG2 LYS 11 HG2 LYS 11 7.355 9.117 -5.311
122 HG3 LYS 11 HG3 LYS 11 6.324 9.955 -4.151
123 HD2 LYS 11 HD2 LYS 11 7.444 12.101 -4.766
124 HD3 LYS 11 HD3 LYS 11 8.349 11.234 -6.007
125 HE2 LYS 11 HE2 LYS 11 6.289 10.613 -7.144
126 HE3 LYS 11 HE3 LYS 11 5.323 11.332 -5.856
127 HZ1 LYS 11 HZ1 LYS 11 7.278 12.865 -7.474
128 HZ2 LYS 11 HZ2 LYS 11 6.105 13.479 -6.409
129 HZ3 LYS 11 HZ3 LYS 11 5.633 12.751 -7.869
130 H THR 12 H THR 12 8.461 9.275 -0.451
131 HA THR 12 HA THR 12 11.384 8.839 -0.255
132 HB THR 12 HB THR 12 9.508 10.111 1.752
133 HG1 THR 12 HG1 THR 12 11.014 11.167 -0.395
134 HG21 THR 12 HG21 THR 12 11.830 11.254 2.256
135 HG22 THR 12 HG22 THR 12 12.478 9.801 1.497
136 HG23 THR 12 HG23 THR 12 11.459 9.669 2.930
137 H ARG 13 H ARG 13 8.783 6.873 0.239
138 HA ARG 13 HA ARG 13 10.257 5.433 2.393
139 HB2 ARG 13 HB2 ARG 13 7.295 6.044 2.391
140 HB3 ARG 13 HB3 ARG 13 8.070 4.895 3.483
141 HG2 ARG 13 HG2 ARG 13 9.596 6.740 4.243
142 HG3 ARG 13 HG3 ARG 13 8.648 7.862 3.267
143 HD2 ARG 13 HD2 ARG 13 6.610 7.181 4.543
144 HD3 ARG 13 HD3 ARG 13 7.633 6.181 5.573
145 HE ARG 13 HE ARG 13 8.552 8.936 5.454
146 HH11 ARG 13 HH21 ARG 13 6.336 6.701 6.861
147 HH12 ARG 13 HH22 ARG 13 6.141 7.610 8.323
148 HH21 ARG 13 HH11 ARG 13 8.310 10.137 7.354
149 HH22 ARG 13 HH12 ARG 13 7.258 9.555 8.602
150 H CYS 14 H CYS 14 7.228 4.927 0.507
151 HA CYS 14 HA CYS 14 7.688 2.093 0.341
152 HB2 CYS 14 HB2 CYS 14 6.068 3.482 -1.740
153 HB3 CYS 14 HB3 CYS 14 5.738 1.974 -0.898
154 H LEU 15 H LEU 15 8.722 4.780 -1.661
155 HA LEU 15 HA LEU 15 9.344 3.418 -4.051
156 HB2 LEU 15 HB2 LEU 15 9.531 5.864 -3.747
157 HB3 LEU 15 HB3 LEU 15 10.963 5.621 -2.755
158 HG LEU 15 HG LEU 15 12.008 4.413 -4.712
159 HD11 LEU 15 HD11 LEU 15 10.828 5.187 -6.942
160 HD12 LEU 15 HD12 LEU 15 9.390 5.244 -5.925
161 HD13 LEU 15 HD13 LEU 15 10.277 3.731 -6.114
162 HD21 LEU 15 HD21 LEU 15 12.804 6.595 -4.491
163 HD22 LEU 15 HD22 LEU 15 11.215 7.309 -4.763
164 HD23 LEU 15 HD23 LEU 15 12.125 6.641 -6.118
165 H GLN 16 H GLN 16 11.142 3.572 -1.009
166 HA GLN 16 HA GLN 16 13.583 2.460 -1.885
167 HB2 GLN 16 HB2 GLN 16 12.148 2.104 0.761
168 HB3 GLN 16 HB3 GLN 16 13.832 1.665 0.472
169 HG2 GLN 16 HG2 GLN 16 14.361 3.991 -0.111
170 HG3 GLN 16 HG3 GLN 16 12.673 4.446 0.127
171 HE21 GLN 16 HE21 GLN 16 14.741 5.654 1.686
172 HE22 GLN 16 HE22 GLN 16 14.572 5.141 3.296
173 H CYS 17 H CYS 17 10.530 0.842 -1.057
174 HA CYS 17 HA CYS 17 11.802 -1.737 -1.875
175 HB2 CYS 17 HB2 CYS 17 9.431 -1.257 -0.065
176 HB3 CYS 17 HB3 CYS 17 10.043 -2.842 -0.526
177 H HIS 18 H HIS 18 8.750 0.098 -2.102
178 HA HIS 18 HA HIS 18 7.934 -1.689 -4.339
179 HB2 HIS 18 HB2 HIS 18 6.394 0.544 -2.996
180 HB3 HIS 18 HB3 HIS 18 5.756 -0.581 -4.190
181 HD1 HIS 18 HD1 HIS 18 5.937 -3.229 -3.400
182 HD2 HIS 18 HD2 HIS 18 6.109 -0.319 -0.425
183 HE1 HIS 18 HE1 HIS 18 5.291 -4.377 -1.226
184 H THR 19 H THR 19 7.319 -0.826 -6.363
185 HA THR 19 HA THR 19 8.213 1.971 -6.913
186 HB THR 19 HB THR 19 8.538 -0.365 -8.788
187 HG1 THR 19 HG1 THR 19 9.922 0.102 -6.672
188 HG21 THR 19 HG21 THR 19 9.980 2.256 -8.956
189 HG22 THR 19 HG22 THR 19 8.324 2.134 -9.552
190 HG23 THR 19 HG23 THR 19 9.588 1.119 -10.246
191 H VAL 20 H VAL 20 6.607 3.145 -7.915
192 HA VAL 20 HA VAL 20 4.055 1.855 -8.468
193 HB VAL 20 HB VAL 20 3.313 4.110 -9.108
194 HG11 VAL 20 HG11 VAL 20 4.923 3.662 -6.632
195 HG12 VAL 20 HG12 VAL 20 3.194 3.963 -6.801
196 HG13 VAL 20 HG13 VAL 20 4.341 5.295 -6.955
197 HG21 VAL 20 HG21 VAL 20 5.396 5.814 -8.614
198 HG22 VAL 20 HG22 VAL 20 4.910 5.293 -10.227
199 HG23 VAL 20 HG23 VAL 20 6.233 4.473 -9.397
200 H GLU 21 H GLU 21 6.859 2.726 -10.347
201 HA GLU 21 HA GLU 21 5.718 2.926 -12.930
202 HB2 GLU 21 HB2 GLU 21 8.374 1.708 -12.110
203 HB3 GLU 21 HB3 GLU 21 7.935 2.157 -13.759
204 HG2 GLU 21 HG2 GLU 21 7.593 4.499 -13.012
205 HG3 GLU 21 HG3 GLU 21 8.097 4.038 -11.387
206 H LYS 22 H LYS 22 5.135 1.370 -14.467
207 HA LYS 22 HA LYS 22 4.271 -1.194 -13.426
208 HB2 LYS 22 HB2 LYS 22 3.118 0.084 -15.276
209 HB3 LYS 22 HB3 LYS 22 4.465 -0.346 -16.330
210 HG2 LYS 22 HG2 LYS 22 4.022 -2.750 -15.883
211 HG3 LYS 22 HG3 LYS 22 2.635 -2.293 -14.894
212 HD2 LYS 22 HD2 LYS 22 1.676 -1.108 -16.888
213 HD3 LYS 22 HD3 LYS 22 3.003 -1.757 -17.854
214 HE2 LYS 22 HE2 LYS 22 1.007 -3.182 -18.065
215 HE3 LYS 22 HE3 LYS 22 2.309 -4.054 -17.257
216 HZ1 LYS 22 HZ1 LYS 22 -0.255 -3.576 -16.308
217 HZ2 LYS 22 HZ2 LYS 22 0.792 -2.644 -15.349
218 HZ3 LYS 22 HZ3 LYS 22 1.030 -4.320 -15.489
219 H GLY 23 H GLY 23 5.424 -3.064 -13.374
220 HA2 GLY 23 HA2 GLY 23 7.007 -4.691 -14.075
221 HA3 GLY 23 HA3 GLY 23 7.533 -3.588 -15.349
222 H GLY 24 H GLY 24 7.311 -2.280 -12.165
223 HA2 GLY 24 HA2 GLY 24 10.059 -1.509 -12.103
224 HA3 GLY 24 HA3 GLY 24 8.969 -1.476 -10.716
225 HA PRO 25 HA PRO 25 12.076 -5.096 -10.520
226 HB2 PRO 25 HB2 PRO 25 13.996 -4.021 -8.916
227 HB3 PRO 25 HB3 PRO 25 14.046 -3.896 -10.686
228 HG2 PRO 25 HG2 PRO 25 13.169 -1.887 -8.668
229 HG3 PRO 25 HG3 PRO 25 14.129 -1.661 -10.142
230 HD2 PRO 25 HD2 PRO 25 11.454 -1.079 -10.010
231 HD3 PRO 25 HD3 PRO 25 12.262 -1.586 -11.510
232 H HIS 26 H HIS 26 11.919 -6.531 -8.791
233 HA HIS 26 HA HIS 26 10.483 -5.528 -6.386
234 HB2 HIS 26 HB2 HIS 26 10.997 -8.376 -7.308
235 HB3 HIS 26 HB3 HIS 26 9.945 -7.890 -5.983
236 HD1 HIS 26 HD1 HIS 26 8.083 -5.931 -6.876
237 HD2 HIS 26 HD2 HIS 26 9.549 -8.731 -9.584
238 HE1 HIS 26 HE1 HIS 26 6.453 -5.965 -8.823
239 HE2 HIS 26 HE2 HIS 26 7.351 -7.656 -10.488
240 H LYS 27 H LYS 27 13.369 -5.121 -6.881
241 HA LYS 27 HA LYS 27 15.237 -6.717 -5.754
242 HB2 LYS 27 HB2 LYS 27 15.597 -4.333 -6.401
243 HB3 LYS 27 HB3 LYS 27 14.868 -3.842 -4.871
244 HG2 LYS 27 HG2 LYS 27 16.600 -5.148 -3.655
245 HG3 LYS 27 HG3 LYS 27 17.352 -5.551 -5.199
246 HD2 LYS 27 HD2 LYS 27 17.605 -3.096 -5.651
247 HD3 LYS 27 HD3 LYS 27 17.008 -2.779 -4.022
248 HE2 LYS 27 HE2 LYS 27 19.033 -3.208 -3.135
249 HE3 LYS 27 HE3 LYS 27 19.103 -4.773 -3.945
250 HZ1 LYS 27 HZ1 LYS 27 19.464 -2.780 -5.869
251 HZ2 LYS 27 HZ2 LYS 27 20.584 -3.943 -5.338
252 HZ3 LYS 27 HZ3 LYS 27 20.500 -2.428 -4.572
253 H VAL 28 H VAL 28 14.006 -4.364 -3.401
254 HA VAL 28 HA VAL 28 14.478 -6.152 -1.204
255 HB VAL 28 HB VAL 28 12.684 -3.728 -1.246
256 HG11 VAL 28 HG11 VAL 28 12.432 -4.998 0.787
257 HG12 VAL 28 HG12 VAL 28 13.445 -3.602 1.157
258 HG13 VAL 28 HG13 VAL 28 14.178 -5.192 0.940
259 HG21 VAL 28 HG21 VAL 28 14.768 -2.534 -0.482
260 HG22 VAL 28 HG22 VAL 28 14.822 -3.087 -2.155
261 HG23 VAL 28 HG23 VAL 28 15.680 -3.984 -0.903
262 H GLY 29 H GLY 29 11.444 -5.060 -2.747
263 HA2 GLY 29 HA2 GLY 29 10.204 -7.636 -2.011
264 HA3 GLY 29 HA3 GLY 29 9.481 -6.203 -1.278
265 HA PRO 30 HA PRO 30 7.623 -7.286 -5.534
266 HB2 PRO 30 HB2 PRO 30 5.116 -6.872 -4.077
267 HB3 PRO 30 HB3 PRO 30 5.612 -8.245 -5.072
268 HG2 PRO 30 HG2 PRO 30 5.437 -8.200 -2.305
269 HG3 PRO 30 HG3 PRO 30 6.273 -9.413 -3.278
270 HD2 PRO 30 HD2 PRO 30 7.412 -7.371 -1.545
271 HD3 PRO 30 HD3 PRO 30 8.226 -8.723 -2.354
272 H ASN 31 H ASN 31 6.626 -5.693 -6.890
273 HA ASN 31 HA ASN 31 6.606 -2.961 -5.699
274 HB2 ASN 31 HB2 ASN 31 6.574 -3.687 -8.637
275 HB3 ASN 31 HB3 ASN 31 6.996 -2.137 -7.911
276 HD21 ASN 31 HD21 ASN 31 8.645 -3.182 -5.753
277 HD22 ASN 31 HD22 ASN 31 10.052 -3.819 -6.457
278 H LEU 32 H LEU 32 4.680 -1.907 -5.473
279 HA LEU 32 HA LEU 32 2.263 -3.197 -6.638
280 HB2 LEU 32 HB2 LEU 32 2.830 -1.672 -4.181
281 HB3 LEU 32 HB3 LEU 32 1.326 -1.226 -4.979
282 HG LEU 32 HG LEU 32 0.514 -3.474 -4.896
283 HD11 LEU 32 HD11 LEU 32 3.370 -4.086 -4.543
284 HD12 LEU 32 HD12 LEU 32 2.089 -5.067 -5.257
285 HD13 LEU 32 HD13 LEU 32 2.302 -5.031 -3.508
286 HD21 LEU 32 HD21 LEU 32 -0.038 -3.202 -2.727
287 HD22 LEU 32 HD22 LEU 32 1.254 -2.013 -2.577
288 HD23 LEU 32 HD23 LEU 32 1.575 -3.712 -2.228
289 H HIS 33 H HIS 33 0.788 -2.001 -7.873
290 HA HIS 33 HA HIS 33 0.951 0.822 -8.320
291 HB2 HIS 33 HB2 HIS 33 1.990 0.948 -10.459
292 HB3 HIS 33 HB3 HIS 33 3.061 -0.086 -9.512
293 HD1 HIS 33 HD1 HIS 33 2.649 -2.755 -9.844
294 HD2 HIS 33 HD2 HIS 33 1.000 -0.265 -12.756
295 HE1 HIS 33 HE1 HIS 33 2.125 -4.230 -11.836
296 HE2 HIS 33 HE2 HIS 33 1.120 -2.726 -13.614
297 H GLY 34 H GLY 34 -0.639 -1.970 -8.311
298 HA2 GLY 34 HA2 GLY 34 -2.880 -0.872 -9.863
299 HA3 GLY 34 HA3 GLY 34 -2.215 -2.378 -10.502
300 H ILE 35 H ILE 35 -1.746 -2.205 -7.205
301 HA ILE 35 HA ILE 35 -3.420 -4.427 -6.617
302 HB ILE 35 HB ILE 35 -1.590 -2.670 -5.215
303 HG12 ILE 35 HG12 ILE 35 -1.134 -4.734 -3.996
304 HG13 ILE 35 HG13 ILE 35 -2.607 -5.462 -4.628
305 HG21 ILE 35 HG21 ILE 35 -2.558 -3.034 -2.950
306 HG22 ILE 35 HG22 ILE 35 -4.050 -3.593 -3.704
307 HG23 ILE 35 HG23 ILE 35 -3.514 -1.926 -3.931
308 HD11 ILE 35 HD11 ILE 35 -1.596 -6.008 -6.565
309 HD12 ILE 35 HD12 ILE 35 -0.071 -5.547 -5.809
310 HD13 ILE 35 HD13 ILE 35 -0.971 -4.372 -6.765
311 H PHE 36 H PHE 36 -3.936 -0.931 -6.172
312 HA PHE 36 HA PHE 36 -6.313 -0.986 -4.691
313 HB2 PHE 36 HB2 PHE 36 -5.359 0.819 -6.913
314 HB3 PHE 36 HB3 PHE 36 -6.927 1.075 -6.151
315 HD1 PHE 36 HD2 PHE 36 -3.279 0.664 -5.342
316 HD2 PHE 36 HD1 PHE 36 -7.091 2.243 -4.125
317 HE1 PHE 36 HE2 PHE 36 -2.194 1.854 -3.456
318 HE2 PHE 36 HE1 PHE 36 -6.003 3.438 -2.250
319 HZ PHE 36 HZ PHE 36 -3.553 3.240 -1.911
320 H GLY 37 H GLY 37 -8.192 -2.057 -5.085
321 HA2 GLY 37 HA2 GLY 37 -10.100 -2.759 -6.297
322 HA3 GLY 37 HA3 GLY 37 -9.417 -2.006 -7.738
323 H ARG 38 H ARG 38 -7.575 -4.321 -5.841
324 HA ARG 38 HA ARG 38 -8.173 -6.459 -7.808
325 HB2 ARG 38 HB2 ARG 38 -6.192 -5.130 -8.629
326 HB3 ARG 38 HB3 ARG 38 -5.341 -5.589 -7.156
327 HG2 ARG 38 HG2 ARG 38 -4.746 -7.088 -9.022
328 HG3 ARG 38 HG3 ARG 38 -5.586 -7.975 -7.755
329 HD2 ARG 38 HD2 ARG 38 -7.289 -6.783 -9.881
330 HD3 ARG 38 HD3 ARG 38 -6.277 -8.146 -10.358
331 HE ARG 38 HE ARG 38 -7.416 -9.142 -8.119
332 HH11 ARG 38 HH21 ARG 38 -8.696 -7.327 -10.762
333 HH12 ARG 38 HH22 ARG 38 -10.277 -8.024 -10.643
334 HH21 ARG 38 HH11 ARG 38 -9.473 -10.059 -7.956
335 HH22 ARG 38 HH12 ARG 38 -10.716 -9.570 -9.057
336 H HIS 39 H HIS 39 -7.254 -8.591 -7.057
337 HA HIS 39 HA HIS 39 -7.612 -8.830 -4.156
338 HB2 HIS 39 HB2 HIS 39 -7.279 -10.786 -6.415
339 HB3 HIS 39 HB3 HIS 39 -7.155 -11.317 -4.740
340 HD1 HIS 39 HD1 HIS 39 -9.566 -9.246 -6.847
341 HD2 HIS 39 HD2 HIS 39 -9.634 -11.925 -3.661
342 HE1 HIS 39 HE1 HIS 39 -12.003 -9.641 -6.305
343 HE2 HIS 39 HE2 HIS 39 -12.060 -11.266 -4.356
344 H SER 40 H SER 40 -6.043 -9.536 -2.701
345 HA SER 40 HA SER 40 -3.371 -8.677 -3.195
346 HB2 SER 40 HB2 SER 40 -4.762 -10.189 -1.027
347 HB3 SER 40 HB3 SER 40 -3.004 -10.207 -1.051
348 HG SER 40 HG SER 40 -3.009 -8.195 -0.438
349 H GLY 41 H GLY 41 -1.554 -9.789 -3.816
350 HA2 GLY 41 HA2 GLY 41 -0.213 -11.752 -4.187
351 HA3 GLY 41 HA3 GLY 41 -1.672 -12.734 -4.073
352 H GLN 42 H GLN 42 -2.408 -10.137 -6.022
353 HA GLN 42 HA GLN 42 -1.914 -11.808 -8.441
354 HB2 GLN 42 HB2 GLN 42 -3.852 -9.519 -8.005
355 HB3 GLN 42 HB3 GLN 42 -3.675 -10.432 -9.507
356 HG2 GLN 42 HG2 GLN 42 -4.138 -12.531 -8.165
357 HG3 GLN 42 HG3 GLN 42 -4.568 -11.483 -6.813
358 HE21 GLN 42 HE21 GLN 42 -5.418 -9.749 -9.508
359 HE22 GLN 42 HE22 GLN 42 -7.035 -10.240 -9.667
360 H ALA 43 H ALA 43 -0.050 -9.776 -7.020
361 HA ALA 43 HA ALA 43 0.294 -7.492 -8.648
362 HB1 ALA 43 HB1 ALA 43 1.936 -9.029 -6.762
363 HB2 ALA 43 HB2 ALA 43 1.841 -7.284 -7.001
364 HB3 ALA 43 HB3 ALA 43 2.887 -8.259 -8.033
365 H GLU 44 H GLU 44 0.963 -7.257 -10.732
366 HA GLU 44 HA GLU 44 1.409 -9.586 -12.389
367 HB2 GLU 44 HB2 GLU 44 0.345 -7.471 -13.206
368 HB3 GLU 44 HB3 GLU 44 1.910 -6.670 -13.056
369 HG2 GLU 44 HG2 GLU 44 2.883 -8.356 -14.615
370 HG3 GLU 44 HG3 GLU 44 1.276 -9.053 -14.822
371 H GLY 45 H GLY 45 3.496 -7.001 -11.115
372 HA2 GLY 45 HA2 GLY 45 5.889 -7.843 -12.423
373 HA3 GLY 45 HA3 GLY 45 5.831 -6.905 -10.926
374 H TYR 46 H TYR 46 4.624 -8.614 -9.160
375 HA TYR 46 HA TYR 46 5.876 -11.247 -9.330
376 HB2 TYR 46 HB2 TYR 46 7.808 -10.168 -8.502
377 HB3 TYR 46 HB3 TYR 46 6.867 -9.118 -7.444
378 HD1 TYR 46 HD2 TYR 46 6.799 -12.837 -7.993
379 HD2 TYR 46 HD1 TYR 46 7.420 -9.605 -5.232
380 HE1 TYR 46 HE2 TYR 46 7.039 -14.464 -6.138
381 HE2 TYR 46 HE1 TYR 46 7.654 -11.231 -3.375
382 HH TYR 46 HH TYR 46 8.210 -13.561 -3.038
383 H SER 47 H SER 47 4.635 -12.709 -8.308
384 HA SER 47 HA SER 47 2.253 -11.829 -6.911
385 HB2 SER 47 HB2 SER 47 1.681 -14.119 -6.794
386 HB3 SER 47 HB3 SER 47 2.625 -14.014 -8.276
387 HG SER 47 HG SER 47 3.641 -15.600 -7.262
388 H TYR 48 H TYR 48 1.858 -11.996 -4.664
389 HA TYR 48 HA TYR 48 4.126 -11.497 -2.977
390 HB2 TYR 48 HB2 TYR 48 1.310 -12.257 -2.176
391 HB3 TYR 48 HB3 TYR 48 2.516 -11.535 -1.130
392 HD1 TYR 48 HD2 TYR 48 3.681 -9.448 -3.054
393 HD2 TYR 48 HD1 TYR 48 -0.370 -10.628 -2.213
394 HE1 TYR 48 HE2 TYR 48 2.890 -7.224 -3.743
395 HE2 TYR 48 HE1 TYR 48 -1.147 -8.381 -2.906
396 HH TYR 48 HH TYR 48 0.194 -5.918 -2.941
397 H THR 49 H THR 49 4.184 -12.771 -0.780
398 HA THR 49 HA THR 49 5.363 -15.299 -1.302
399 HB THR 49 HB THR 49 4.181 -14.310 1.310
400 HG1 THR 49 HG1 THR 49 5.841 -13.033 0.022
401 HG21 THR 49 HG21 THR 49 5.837 -15.785 2.338
402 HG22 THR 49 HG22 THR 49 6.423 -16.268 0.745
403 HG23 THR 49 HG23 THR 49 4.796 -16.714 1.259
404 H ASP 50 H ASP 50 4.588 -17.434 -0.913
405 HA ASP 50 HA ASP 50 2.007 -18.065 -1.767
406 HB2 ASP 50 HB2 ASP 50 3.854 -19.589 0.088
407 HB3 ASP 50 HB3 ASP 50 2.390 -20.273 -0.612
408 H ALA 51 H ALA 51 3.132 -17.461 1.562
409 HA ALA 51 HA ALA 51 0.687 -18.204 2.854
410 HB1 ALA 51 HB1 ALA 51 3.171 -17.216 3.667
411 HB2 ALA 51 HB2 ALA 51 1.808 -17.592 4.722
412 HB3 ALA 51 HB3 ALA 51 2.032 -15.949 4.123
413 H ASN 52 H ASN 52 1.894 -15.013 1.814
414 HA ASN 52 HA ASN 52 -0.462 -13.537 2.438
415 HB2 ASN 52 HB2 ASN 52 1.703 -12.488 1.836
416 HB3 ASN 52 HB3 ASN 52 1.515 -13.078 0.187
417 HD21 ASN 52 HD21 ASN 52 1.670 -10.495 -0.020
418 HD22 ASN 52 HD22 ASN 52 0.170 -9.707 -0.072
419 H ILE 53 H ILE 53 0.546 -15.229 -0.514
420 HA ILE 53 HA ILE 53 -1.744 -14.537 -2.082
421 HB ILE 53 HB ILE 53 0.073 -16.945 -2.248
422 HG12 ILE 53 HG12 ILE 53 0.079 -14.369 -3.844
423 HG13 ILE 53 HG13 ILE 53 1.132 -14.661 -2.459
424 HG21 ILE 53 HG21 ILE 53 -2.018 -17.363 -3.432
425 HG22 ILE 53 HG22 ILE 53 -0.743 -17.044 -4.608
426 HG23 ILE 53 HG23 ILE 53 -1.918 -15.788 -4.219
427 HD11 ILE 53 HD11 ILE 53 2.300 -16.392 -3.560
428 HD12 ILE 53 HD12 ILE 53 2.068 -15.185 -4.823
429 HD13 ILE 53 HD13 ILE 53 1.028 -16.606 -4.761
430 H LYS 54 H LYS 54 -1.140 -17.109 0.261
431 HA LYS 54 HA LYS 54 -3.314 -18.804 -0.325
432 HB2 LYS 54 HB2 LYS 54 -1.618 -19.288 1.423
433 HB3 LYS 54 HB3 LYS 54 -2.309 -18.010 2.418
434 HG2 LYS 54 HG2 LYS 54 -4.483 -19.191 2.414
435 HG3 LYS 54 HG3 LYS 54 -3.760 -20.491 1.465
436 HD2 LYS 54 HD2 LYS 54 -2.077 -20.812 3.304
437 HD3 LYS 54 HD3 LYS 54 -2.975 -19.635 4.265
438 HE2 LYS 54 HE2 LYS 54 -4.321 -22.061 3.073
439 HE3 LYS 54 HE3 LYS 54 -3.535 -22.119 4.650
440 HZ1 LYS 54 HZ1 LYS 54 -5.302 -21.165 5.542
441 HZ2 LYS 54 HZ2 LYS 54 -6.075 -21.146 4.028
442 HZ3 LYS 54 HZ3 LYS 54 -5.135 -19.820 4.522
443 H LYS 55 H LYS 55 -3.192 -15.812 1.564
444 HA LYS 55 HA LYS 55 -6.172 -15.814 1.671
445 HB2 LYS 55 HB2 LYS 55 -4.882 -15.492 3.818
446 HB3 LYS 55 HB3 LYS 55 -4.221 -14.008 3.136
447 HG2 LYS 55 HG2 LYS 55 -6.064 -13.229 4.363
448 HG3 LYS 55 HG3 LYS 55 -6.713 -13.359 2.728
449 HD2 LYS 55 HD2 LYS 55 -7.759 -15.478 3.236
450 HD3 LYS 55 HD3 LYS 55 -6.951 -15.557 4.801
451 HE2 LYS 55 HE2 LYS 55 -8.318 -13.933 5.741
452 HE3 LYS 55 HE3 LYS 55 -8.667 -13.180 4.184
453 HZ1 LYS 55 HZ1 LYS 55 -10.093 -15.220 5.543
454 HZ2 LYS 55 HZ2 LYS 55 -9.621 -15.756 4.001
455 HZ3 LYS 55 HZ3 LYS 55 -10.540 -14.337 4.166
456 H ASN 56 H ASN 56 -6.919 -14.850 -0.186
457 HA ASN 56 HA ASN 56 -5.560 -12.332 -1.067
458 HB2 ASN 56 HB2 ASN 56 -6.231 -12.830 -3.320
459 HB3 ASN 56 HB3 ASN 56 -5.487 -14.288 -2.668
460 HD21 ASN 56 HD21 ASN 56 -7.455 -14.257 -4.842
461 HD22 ASN 56 HD22 ASN 56 -8.819 -15.104 -4.289
462 H VAL 57 H VAL 57 -6.781 -10.510 -1.035
463 HA VAL 57 HA VAL 57 -9.741 -10.796 -0.892
464 HB VAL 57 HB VAL 57 -8.053 -8.957 0.814
465 HG11 VAL 57 HG11 VAL 57 -10.738 -9.323 1.740
466 HG12 VAL 57 HG12 VAL 57 -10.793 -8.863 0.038
467 HG13 VAL 57 HG13 VAL 57 -9.959 -7.833 1.203
468 HG21 VAL 57 HG21 VAL 57 -7.794 -11.213 1.618
469 HG22 VAL 57 HG22 VAL 57 -9.519 -11.535 1.432
470 HG23 VAL 57 HG23 VAL 57 -8.960 -10.418 2.678
471 H LEU 58 H LEU 58 -10.868 -9.274 -2.082
472 HA LEU 58 HA LEU 58 -9.587 -7.794 -4.118
473 HB2 LEU 58 HB2 LEU 58 -12.012 -8.245 -4.119
474 HB3 LEU 58 HB3 LEU 58 -12.211 -7.152 -2.748
475 HG LEU 58 HG LEU 58 -11.251 -5.302 -4.132
476 HD11 LEU 58 HD11 LEU 58 -9.933 -6.267 -5.789
477 HD12 LEU 58 HD12 LEU 58 -11.404 -5.928 -6.700
478 HD13 LEU 58 HD13 LEU 58 -11.092 -7.557 -6.105
479 HD21 LEU 58 HD21 LEU 58 -13.764 -6.768 -4.746
480 HD22 LEU 58 HD22 LEU 58 -13.275 -5.543 -5.918
481 HD23 LEU 58 HD23 LEU 58 -13.535 -5.097 -4.231
482 H TRP 59 H TRP 59 -8.828 -5.660 -4.205
483 HA TRP 59 HA TRP 59 -8.347 -4.464 -1.546
484 HB2 TRP 59 HB2 TRP 59 -6.975 -4.321 -4.190
485 HB3 TRP 59 HB3 TRP 59 -6.770 -2.991 -3.053
486 HD1 TRP 59 HD1 TRP 59 -5.155 -6.082 -3.933
487 HE1 TRP 59 HE1 TRP 59 -3.771 -7.022 -1.970
488 HE3 TRP 59 HE3 TRP 59 -7.098 -3.348 -0.090
489 HZ2 TRP 59 HZ2 TRP 59 -3.534 -6.662 0.857
490 HZ3 TRP 59 HZ3 TRP 59 -6.285 -3.662 2.214
491 HH2 TRP 59 HH2 TRP 59 -4.507 -5.324 2.703
492 H ASP 60 H ASP 60 -8.937 -2.396 -1.034
493 HA ASP 60 HA ASP 60 -10.304 -0.720 -3.052
494 HB2 ASP 60 HB2 ASP 60 -12.037 -2.200 -1.931
495 HB3 ASP 60 HB3 ASP 60 -11.625 -1.406 -0.411
496 H GLU 61 H GLU 61 -10.704 1.505 -2.094
497 HA GLU 61 HA GLU 61 -8.366 2.544 -0.902
498 HB2 GLU 61 HB2 GLU 61 -11.186 3.660 -0.830
499 HB3 GLU 61 HB3 GLU 61 -9.720 4.579 -0.484
500 HG2 GLU 61 HG2 GLU 61 -8.884 4.107 -2.756
501 HG3 GLU 61 HG3 GLU 61 -10.350 3.192 -3.106
502 H ASN 62 H ASN 62 -11.399 1.470 0.599
503 HA ASN 62 HA ASN 62 -10.625 2.313 3.264
504 HB2 ASN 62 HB2 ASN 62 -12.719 0.333 2.322
505 HB3 ASN 62 HB3 ASN 62 -12.551 0.897 3.985
506 HD21 ASN 62 HD21 ASN 62 -14.942 1.408 2.504
507 HD22 ASN 62 HD22 ASN 62 -15.047 3.082 2.211
508 H ASN 63 H ASN 63 -10.624 -0.845 1.581
509 HA ASN 63 HA ASN 63 -9.631 -2.349 3.795
510 HB2 ASN 63 HB2 ASN 63 -9.374 -2.822 0.814
511 HB3 ASN 63 HB3 ASN 63 -8.980 -4.011 2.052
512 HD21 ASN 63 HD21 ASN 63 -11.057 -4.506 0.146
513 HD22 ASN 63 HD22 ASN 63 -12.547 -4.521 0.968
514 H MET 64 H MET 64 -7.945 -0.695 1.135
515 HA MET 64 HA MET 64 -5.326 -1.595 1.771
516 HB2 MET 64 HB2 MET 64 -6.333 0.937 0.452
517 HB3 MET 64 HB3 MET 64 -4.621 0.551 0.582
518 HG2 MET 64 HG2 MET 64 -6.691 -1.238 -0.713
519 HG3 MET 64 HG3 MET 64 -5.596 -0.184 -1.587
520 HE1 MET 64 HE1 MET 64 -3.270 -0.143 -1.503
521 HE2 MET 64 HE2 MET 64 -2.194 -1.521 -1.282
522 HE3 MET 64 HE3 MET 64 -2.701 -0.580 0.116
523 H SER 65 H SER 65 -7.251 1.074 3.077
524 HA SER 65 HA SER 65 -5.186 2.381 4.529
525 HB2 SER 65 HB2 SER 65 -7.529 3.240 4.216
526 HB3 SER 65 HB3 SER 65 -8.072 2.053 5.399
527 HG SER 65 HG SER 65 -5.967 3.333 6.394
528 H GLU 66 H GLU 66 -7.198 -0.427 5.380
529 HA GLU 66 HA GLU 66 -6.341 -0.652 8.096
530 HB2 GLU 66 HB2 GLU 66 -7.227 -2.788 6.132
531 HB3 GLU 66 HB3 GLU 66 -7.018 -3.054 7.863
532 HG2 GLU 66 HG2 GLU 66 -8.682 -1.275 8.321
533 HG3 GLU 66 HG3 GLU 66 -8.920 -1.070 6.585
534 H TYR 67 H TYR 67 -4.964 -1.902 5.072
535 HA TYR 67 HA TYR 67 -2.943 -3.524 6.282
536 HB2 TYR 67 HB2 TYR 67 -3.589 -3.595 3.858
537 HB3 TYR 67 HB3 TYR 67 -2.753 -2.058 3.637
538 HD1 TYR 67 HD1 TYR 67 -2.336 -5.635 4.466
539 HD2 TYR 67 HD2 TYR 67 -0.338 -1.912 3.693
540 HE1 TYR 67 HE1 TYR 67 -0.175 -6.836 4.276
541 HE2 TYR 67 HE2 TYR 67 1.823 -3.115 3.506
542 HH TYR 67 HH TYR 67 2.786 -5.145 3.314
543 H LEU 68 H LEU 68 -2.988 -0.092 5.365
544 HA LEU 68 HA LEU 68 -0.250 0.470 5.788
545 HB2 LEU 68 HB2 LEU 68 -2.626 2.261 6.358
546 HB3 LEU 68 HB3 LEU 68 -0.966 2.795 6.104
547 HG LEU 68 HG LEU 68 -2.718 1.370 4.085
548 HD11 LEU 68 HD11 LEU 68 -3.330 3.689 4.263
549 HD12 LEU 68 HD12 LEU 68 -2.338 3.521 2.816
550 HD13 LEU 68 HD13 LEU 68 -1.640 4.189 4.290
551 HD21 LEU 68 HD21 LEU 68 -0.596 0.591 3.529
552 HD22 LEU 68 HD22 LEU 68 0.207 2.026 4.165
553 HD23 LEU 68 HD23 LEU 68 -0.640 2.100 2.620
554 H THR 69 H THR 69 -2.913 0.214 8.119
555 HA THR 69 HA THR 69 -1.646 1.291 10.387
556 HB THR 69 HB THR 69 -3.346 -1.219 10.345
557 HG1 THR 69 HG1 THR 69 -4.003 0.999 9.314
558 HG21 THR 69 HG21 THR 69 -3.968 -0.546 12.580
559 HG22 THR 69 HG22 THR 69 -3.067 0.961 12.419
560 HG23 THR 69 HG23 THR 69 -2.209 -0.578 12.482
561 H ASN 70 H ASN 70 -1.375 -1.920 8.933
562 HA ASN 70 HA ASN 70 1.289 -2.248 10.139
563 HB2 ASN 70 HB2 ASN 70 -0.559 -3.214 11.720
564 HB3 ASN 70 HB3 ASN 70 -0.672 -4.499 10.521
565 HD21 ASN 70 HD21 ASN 70 0.184 -5.667 12.664
566 HD22 ASN 70 HD22 ASN 70 1.878 -5.805 12.774
567 H HIS 71 H HIS 71 2.585 -3.467 8.749
568 HA HIS 71 HA HIS 71 1.696 -3.902 6.102
569 HB2 HIS 71 HB2 HIS 71 4.118 -4.454 7.634
570 HB3 HIS 71 HB3 HIS 71 3.799 -5.693 6.418
571 HD1 HIS 71 HD1 HIS 71 3.884 -1.878 6.638
572 HD2 HIS 71 HD2 HIS 71 4.562 -4.921 3.870
573 HE1 HIS 71 HE1 HIS 71 4.656 -0.747 4.503
574 H ALA 72 H ALA 72 0.602 -5.504 8.730
575 HA ALA 72 HA ALA 72 -0.591 -7.616 7.152
576 HB1 ALA 72 HB1 ALA 72 0.469 -9.506 8.368
577 HB2 ALA 72 HB2 ALA 72 1.573 -8.365 9.134
578 HB3 ALA 72 HB3 ALA 72 1.627 -8.607 7.388
579 H LYS 73 H LYS 73 -1.748 -5.687 8.717
580 HA LYS 73 HA LYS 73 -2.196 -6.313 11.448
581 HB2 LYS 73 HB2 LYS 73 -2.905 -4.186 10.333
582 HB3 LYS 73 HB3 LYS 73 -4.194 -5.081 9.530
583 HG2 LYS 73 HG2 LYS 73 -5.080 -5.758 11.750
584 HG3 LYS 73 HG3 LYS 73 -3.826 -4.790 12.525
585 HD2 LYS 73 HD2 LYS 73 -4.697 -2.779 11.318
586 HD3 LYS 73 HD3 LYS 73 -6.015 -3.770 10.693
587 HE2 LYS 73 HE2 LYS 73 -5.523 -3.753 13.648
588 HE3 LYS 73 HE3 LYS 73 -6.325 -2.361 12.920
589 HZ1 LYS 73 HZ1 LYS 73 -8.178 -3.551 12.995
590 HZ2 LYS 73 HZ2 LYS 73 -7.348 -4.968 13.428
591 HZ3 LYS 73 HZ3 LYS 73 -7.527 -4.551 11.790
592 H TYR 74 H TYR 74 -4.051 -7.331 8.561
593 HA TYR 74 HA TYR 74 -5.303 -9.441 10.277
594 HB2 TYR 74 HB2 TYR 74 -7.302 -9.293 8.954
595 HB3 TYR 74 HB3 TYR 74 -6.867 -7.648 9.419
596 HD1 TYR 74 HD2 TYR 74 -5.918 -6.077 7.783
597 HD2 TYR 74 HD1 TYR 74 -7.084 -10.055 6.652
598 HE1 TYR 74 HE2 TYR 74 -5.813 -5.429 5.392
599 HE2 TYR 74 HE1 TYR 74 -6.983 -9.404 4.262
600 HH TYR 74 HH TYR 74 -7.234 -6.919 3.021
601 H ILE 75 H ILE 75 -2.906 -9.158 8.185
602 HA ILE 75 HA ILE 75 -3.523 -11.781 6.890
603 HB ILE 75 HB ILE 75 -1.946 -9.561 5.566
604 HG12 ILE 75 HG12 ILE 75 -4.840 -10.361 5.119
605 HG13 ILE 75 HG13 ILE 75 -4.311 -8.878 5.916
606 HG21 ILE 75 HG21 ILE 75 -3.222 -12.098 4.496
607 HG22 ILE 75 HG22 ILE 75 -1.502 -11.888 4.824
608 HG23 ILE 75 HG23 ILE 75 -2.280 -10.937 3.559
609 HD11 ILE 75 HD11 ILE 75 -2.934 -9.163 3.400
610 HD12 ILE 75 HD12 ILE 75 -4.005 -7.866 3.931
611 HD13 ILE 75 HD13 ILE 75 -4.673 -9.294 3.141
612 HA PRO 76 HA PRO 76 0.370 -11.827 9.511
613 HB2 PRO 76 HB2 PRO 76 -0.542 -14.649 9.748
614 HB3 PRO 76 HB3 PRO 76 0.016 -13.536 11.010
615 HG2 PRO 76 HG2 PRO 76 -2.565 -14.189 10.724
616 HG3 PRO 76 HG3 PRO 76 -2.046 -12.588 11.277
617 HD2 PRO 76 HD2 PRO 76 -3.146 -13.396 8.623
618 HD3 PRO 76 HD3 PRO 76 -3.276 -11.842 9.476
619 H GLY 77 H GLY 77 -0.882 -14.035 7.041
620 HA2 GLY 77 HA2 GLY 77 1.519 -15.424 6.445
621 HA3 GLY 77 HA3 GLY 77 0.242 -15.094 5.268
622 H THR 78 H THR 78 0.507 -12.160 5.814
623 HA THR 78 HA THR 78 2.485 -11.606 3.773
624 HB THR 78 HB THR 78 0.900 -9.735 5.541
625 HG1 THR 78 HG1 THR 78 0.409 -11.117 3.206
626 HG21 THR 78 HG21 THR 78 2.914 -9.320 3.405
627 HG22 THR 78 HG22 THR 78 2.477 -8.276 4.756
628 HG23 THR 78 HG23 THR 78 1.466 -8.320 3.312
629 H LYS 79 H LYS 79 4.517 -10.739 4.008
630 HA LYS 79 HA LYS 79 5.831 -11.074 6.580
631 HB2 LYS 79 HB2 LYS 79 6.859 -9.745 4.059
632 HB3 LYS 79 HB3 LYS 79 7.836 -10.341 5.396
633 HG2 LYS 79 HG2 LYS 79 7.004 -12.638 4.955
634 HG3 LYS 79 HG3 LYS 79 6.089 -12.023 3.576
635 HD2 LYS 79 HD2 LYS 79 8.282 -11.125 2.661
636 HD3 LYS 79 HD3 LYS 79 9.095 -12.046 3.926
637 HE2 LYS 79 HE2 LYS 79 7.226 -13.795 2.683
638 HE3 LYS 79 HE3 LYS 79 8.118 -12.979 1.396
639 HZ1 LYS 79 HZ1 LYS 79 9.003 -15.109 2.817
640 HZ2 LYS 79 HZ2 LYS 79 9.779 -13.810 3.588
641 HZ3 LYS 79 HZ3 LYS 79 9.981 -14.055 1.919
642 H MET 80 H MET 80 7.059 -9.293 7.632
643 HA MET 80 HA MET 80 5.568 -6.706 7.453
644 HB2 MET 80 HB2 MET 80 5.513 -7.913 9.653
645 HB3 MET 80 HB3 MET 80 7.269 -7.754 9.736
646 HG2 MET 80 HG2 MET 80 7.011 -5.276 9.563
647 HG3 MET 80 HG3 MET 80 5.261 -5.486 9.613
648 HE1 MET 80 HE1 MET 80 8.377 -5.999 12.870
649 HE2 MET 80 HE2 MET 80 8.581 -5.811 11.130
650 HE3 MET 80 HE3 MET 80 8.191 -7.395 11.797
651 H ALA 81 H ALA 81 6.762 -4.783 7.158
652 HA ALA 81 HA ALA 81 9.716 -4.955 7.151
653 HB1 ALA 81 HB1 ALA 81 9.894 -5.147 4.920
654 HB2 ALA 81 HB2 ALA 81 9.056 -3.606 4.747
655 HB3 ALA 81 HB3 ALA 81 8.139 -5.113 4.750
656 H PHE 82 H PHE 82 6.795 -2.974 6.784
657 HA PHE 82 HA PHE 82 8.409 -0.538 7.351
658 HB2 PHE 82 HB2 PHE 82 6.672 -0.576 5.498
659 HB3 PHE 82 HB3 PHE 82 5.446 -0.697 6.759
660 HD1 PHE 82 HD2 PHE 82 8.227 1.401 5.471
661 HD2 PHE 82 HD1 PHE 82 4.782 1.196 8.012
662 HE1 PHE 82 HE2 PHE 82 8.323 3.856 5.791
663 HE2 PHE 82 HE1 PHE 82 4.877 3.646 8.342
664 HZ PHE 82 HZ PHE 82 6.645 4.977 7.222
665 H GLY 83 H GLY 83 8.222 0.561 9.295
666 HA2 GLY 83 HA2 GLY 83 7.388 -0.783 11.628
667 HA3 GLY 83 HA3 GLY 83 7.624 0.960 11.528
668 H GLY 84 H GLY 84 5.572 1.559 9.638
669 HA2 GLY 84 HA2 GLY 84 3.089 0.972 9.499
670 HA3 GLY 84 HA3 GLY 84 3.144 0.879 11.258
671 H LEU 85 H LEU 85 1.727 2.743 9.256
672 HA LEU 85 HA LEU 85 2.826 5.368 10.075
673 HB2 LEU 85 HB2 LEU 85 0.447 4.719 8.315
674 HB3 LEU 85 HB3 LEU 85 1.238 6.281 8.480
675 HG LEU 85 HG LEU 85 2.746 3.834 7.553
676 HD11 LEU 85 HD11 LEU 85 0.783 4.287 6.061
677 HD12 LEU 85 HD12 LEU 85 2.337 4.518 5.261
678 HD13 LEU 85 HD13 LEU 85 1.408 5.917 5.807
679 HD21 LEU 85 HD21 LEU 85 3.183 6.822 7.225
680 HD22 LEU 85 HD22 LEU 85 4.219 5.569 6.546
681 HD23 LEU 85 HD23 LEU 85 4.099 5.763 8.291
682 H LYS 86 H LYS 86 2.263 4.948 12.369
683 HA LYS 86 HA LYS 86 -0.394 4.519 13.277
684 HB2 LYS 86 HB2 LYS 86 1.909 5.995 14.582
685 HB3 LYS 86 HB3 LYS 86 0.430 5.517 15.412
686 HG2 LYS 86 HG2 LYS 86 0.892 3.143 14.786
687 HG3 LYS 86 HG3 LYS 86 2.427 3.663 14.088
688 HD2 LYS 86 HD2 LYS 86 3.072 4.603 16.311
689 HD3 LYS 86 HD3 LYS 86 1.582 3.943 16.987
690 HE2 LYS 86 HE2 LYS 86 3.807 2.350 15.680
691 HE3 LYS 86 HE3 LYS 86 3.438 2.398 17.404
692 HZ1 LYS 86 HZ1 LYS 86 2.451 0.456 16.464
693 HZ2 LYS 86 HZ2 LYS 86 1.698 1.358 15.236
694 HZ3 LYS 86 HZ3 LYS 86 1.204 1.538 16.852
695 H LYS 87 H LYS 87 1.308 7.459 12.320
696 HA LYS 87 HA LYS 87 -0.711 9.275 13.307
697 HB2 LYS 87 HB2 LYS 87 1.674 9.893 12.715
698 HB3 LYS 87 HB3 LYS 87 1.213 9.756 11.017
699 HG2 LYS 87 HG2 LYS 87 -0.564 11.449 11.378
700 HG3 LYS 87 HG3 LYS 87 -0.046 11.615 13.056
701 HD2 LYS 87 HD2 LYS 87 2.245 12.229 12.211
702 HD3 LYS 87 HD3 LYS 87 1.579 12.247 10.579
703 HE2 LYS 87 HE2 LYS 87 1.009 14.397 10.956
704 HE3 LYS 87 HE3 LYS 87 -0.218 13.783 12.064
705 HZ1 LYS 87 HZ1 LYS 87 1.179 14.063 13.886
706 HZ2 LYS 87 HZ2 LYS 87 1.451 15.461 12.960
707 HZ3 LYS 87 HZ3 LYS 87 2.576 14.187 12.932
708 H GLU 88 H GLU 88 -2.686 9.642 12.445
709 HA GLU 88 HA GLU 88 -3.634 8.252 10.134
710 HB2 GLU 88 HB2 GLU 88 -4.758 10.661 11.571
711 HB3 GLU 88 HB3 GLU 88 -5.628 9.735 10.351
712 HG2 GLU 88 HG2 GLU 88 -5.364 7.695 11.747
713 HG3 GLU 88 HG3 GLU 88 -4.569 8.668 12.984
714 H LYS 89 H LYS 89 -2.222 11.440 10.572
715 HA LYS 89 HA LYS 89 -3.016 12.651 8.140
716 HB2 LYS 89 HB2 LYS 89 -1.732 13.734 10.037
717 HB3 LYS 89 HB3 LYS 89 -0.289 12.937 9.420
718 HG2 LYS 89 HG2 LYS 89 -0.647 14.033 7.218
719 HG3 LYS 89 HG3 LYS 89 -2.037 14.885 7.891
720 HD2 LYS 89 HD2 LYS 89 -0.516 15.856 9.638
721 HD3 LYS 89 HD3 LYS 89 0.847 15.120 8.793
722 HE2 LYS 89 HE2 LYS 89 0.886 16.778 7.273
723 HE3 LYS 89 HE3 LYS 89 -0.832 16.574 6.933
724 HZ1 LYS 89 HZ1 LYS 89 0.126 17.971 9.356
725 HZ2 LYS 89 HZ2 LYS 89 -1.416 18.026 8.646
726 HZ3 LYS 89 HZ3 LYS 89 -0.100 18.788 7.887
727 H ASP 90 H ASP 90 -0.077 10.738 8.814
728 HA ASP 90 HA ASP 90 0.858 10.764 6.104
729 HB2 ASP 90 HB2 ASP 90 1.355 8.739 8.309
730 HB3 ASP 90 HB3 ASP 90 2.276 8.865 6.814
731 H ARG 91 H ARG 91 -0.905 8.252 7.949
732 HA ARG 91 HA ARG 91 -1.209 6.423 5.808
733 HB2 ARG 91 HB2 ARG 91 -1.736 5.906 8.180
734 HB3 ARG 91 HB3 ARG 91 -3.156 6.946 8.071
735 HG2 ARG 91 HG2 ARG 91 -4.105 5.536 6.322
736 HG3 ARG 91 HG3 ARG 91 -2.655 4.533 6.309
737 HD2 ARG 91 HD2 ARG 91 -4.309 3.386 7.639
738 HD3 ARG 91 HD3 ARG 91 -3.091 4.022 8.745
739 HE ARG 91 HE ARG 91 -5.313 5.862 8.362
740 HH11 ARG 91 HH21 ARG 91 -4.131 3.070 10.004
741 HH12 ARG 91 HH22 ARG 91 -5.157 3.283 11.383
742 HH21 ARG 91 HH11 ARG 91 -6.660 6.156 10.153
743 HH22 ARG 91 HH12 ARG 91 -6.590 5.030 11.467
744 H ASN 92 H ASN 92 -3.333 9.121 6.796
745 HA ASN 92 HA ASN 92 -5.307 8.597 4.764
746 HB2 ASN 92 HB2 ASN 92 -4.648 11.116 6.311
747 HB3 ASN 92 HB3 ASN 92 -6.052 10.931 5.267
748 HD21 ASN 92 HD21 ASN 92 -6.704 11.451 7.851
749 HD22 ASN 92 HD22 ASN 92 -7.227 10.052 8.659
750 H ASP 93 H ASP 93 -2.681 11.006 4.965
751 HA ASP 93 HA ASP 93 -3.095 12.083 2.348
752 HB2 ASP 93 HB2 ASP 93 -0.585 11.947 4.048
753 HB3 ASP 93 HB3 ASP 93 -0.748 12.920 2.585
754 H LEU 94 H LEU 94 -1.200 9.360 3.533
755 HA LEU 94 HA LEU 94 0.365 8.765 1.284
756 HB2 LEU 94 HB2 LEU 94 0.569 7.523 3.365
757 HB3 LEU 94 HB3 LEU 94 -1.064 6.895 3.189
758 HG LEU 94 HG LEU 94 -0.440 5.642 1.215
759 HD11 LEU 94 HD11 LEU 94 1.095 6.957 0.038
760 HD12 LEU 94 HD12 LEU 94 2.124 5.675 0.676
761 HD13 LEU 94 HD13 LEU 94 2.087 7.252 1.466
762 HD21 LEU 94 HD21 LEU 94 0.393 5.064 3.739
763 HD22 LEU 94 HD22 LEU 94 1.935 5.048 2.886
764 HD23 LEU 94 HD23 LEU 94 0.628 3.983 2.367
765 H ILE 95 H ILE 95 -2.820 7.364 2.027
766 HA ILE 95 HA ILE 95 -3.157 6.146 -0.524
767 HB ILE 95 HB ILE 95 -5.214 7.014 1.516
768 HG12 ILE 95 HG12 ILE 95 -3.872 4.343 0.989
769 HG13 ILE 95 HG13 ILE 95 -3.476 5.429 2.320
770 HG21 ILE 95 HG21 ILE 95 -6.612 5.275 0.385
771 HG22 ILE 95 HG22 ILE 95 -5.373 5.152 -0.865
772 HG23 ILE 95 HG23 ILE 95 -6.257 6.660 -0.646
773 HD11 ILE 95 HD11 ILE 95 -5.236 4.721 3.540
774 HD12 ILE 95 HD12 ILE 95 -5.429 3.429 2.355
775 HD13 ILE 95 HD13 ILE 95 -6.342 4.927 2.183
776 H THR 96 H THR 96 -3.889 9.378 0.655
777 HA THR 96 HA THR 96 -5.696 10.259 -1.288
778 HB THR 96 HB THR 96 -3.337 11.858 -0.259
779 HG1 THR 96 HG1 THR 96 -5.222 12.406 1.283
780 HG21 THR 96 HG21 THR 96 -4.793 12.826 -2.068
781 HG22 THR 96 HG22 THR 96 -4.792 13.754 -0.567
782 HG23 THR 96 HG23 THR 96 -6.154 12.702 -0.955
783 H TYR 97 H TYR 97 -2.166 9.933 -1.496
784 HA TYR 97 HA TYR 97 -2.074 10.961 -4.221
785 HB2 TYR 97 HB2 TYR 97 -0.113 11.252 -2.849
786 HB3 TYR 97 HB3 TYR 97 -0.035 9.522 -2.511
787 HD1 TYR 97 HD1 TYR 97 0.188 12.042 -5.259
788 HD2 TYR 97 HD2 TYR 97 1.053 8.038 -3.979
789 HE1 TYR 97 HE1 TYR 97 1.561 11.686 -7.295
790 HE2 TYR 97 HE2 TYR 97 2.420 7.676 -6.010
791 HH TYR 97 HH TYR 97 3.677 9.066 -7.649
792 H LEU 98 H LEU 98 -1.790 7.727 -2.731
793 HA LEU 98 HA LEU 98 -1.379 6.249 -5.105
794 HB2 LEU 98 HB2 LEU 98 -2.997 5.424 -2.675
795 HB3 LEU 98 HB3 LEU 98 -2.314 4.331 -3.877
796 HG LEU 98 HG LEU 98 -0.679 6.234 -2.171
797 HD11 LEU 98 HD11 LEU 98 -1.265 3.271 -1.918
798 HD12 LEU 98 HD12 LEU 98 -1.565 4.529 -0.721
799 HD13 LEU 98 HD13 LEU 98 0.089 4.055 -1.106
800 HD21 LEU 98 HD21 LEU 98 -0.073 4.218 -4.311
801 HD22 LEU 98 HD22 LEU 98 1.102 4.494 -3.027
802 HD23 LEU 98 HD23 LEU 98 0.608 5.824 -4.071
803 H LYS 99 H LYS 99 -4.446 7.148 -3.530
804 HA LYS 99 HA LYS 99 -6.154 5.973 -5.492
805 HB2 LYS 99 HB2 LYS 99 -6.979 6.719 -3.303
806 HB3 LYS 99 HB3 LYS 99 -6.624 8.385 -3.732
807 HG2 LYS 99 HG2 LYS 99 -8.216 8.191 -5.654
808 HG3 LYS 99 HG3 LYS 99 -8.621 6.565 -5.102
809 HD2 LYS 99 HD2 LYS 99 -9.359 7.487 -2.935
810 HD3 LYS 99 HD3 LYS 99 -8.965 9.112 -3.492
811 HE2 LYS 99 HE2 LYS 99 -11.417 7.813 -3.808
812 HE3 LYS 99 HE3 LYS 99 -10.902 9.281 -4.638
813 HZ1 LYS 99 HZ1 LYS 99 -10.600 6.484 -5.576
814 HZ2 LYS 99 HZ2 LYS 99 -9.844 7.811 -6.323
815 HZ3 LYS 99 HZ3 LYS 99 -11.540 7.710 -6.276
816 H LYS 100 H LYS 100 -4.633 9.159 -5.266
817 HA LYS 100 HA LYS 100 -5.927 10.401 -7.473
818 HB2 LYS 100 HB2 LYS 100 -4.354 11.474 -5.782
819 HB3 LYS 100 HB3 LYS 100 -3.025 10.781 -6.702
820 HG2 LYS 100 HG2 LYS 100 -3.837 11.949 -8.734
821 HG3 LYS 100 HG3 LYS 100 -5.121 12.689 -7.778
822 HD2 LYS 100 HD2 LYS 100 -3.351 13.671 -6.285
823 HD3 LYS 100 HD3 LYS 100 -2.136 13.060 -7.408
824 HE2 LYS 100 HE2 LYS 100 -2.425 15.186 -8.270
825 HE3 LYS 100 HE3 LYS 100 -3.656 14.323 -9.190
826 HZ1 LYS 100 HZ1 LYS 100 -4.244 16.495 -7.904
827 HZ2 LYS 100 HZ2 LYS 100 -4.369 15.445 -6.575
828 HZ3 LYS 100 HZ3 LYS 100 -5.340 15.202 -7.948
829 H ALA 101 H ALA 101 -3.024 8.396 -7.298
830 HA ALA 101 HA ALA 101 -2.398 8.546 -10.111
831 HB1 ALA 101 HB1 ALA 101 -0.959 7.698 -8.053
832 HB2 ALA 101 HB2 ALA 101 -0.711 7.004 -9.656
833 HB3 ALA 101 HB3 ALA 101 -1.683 6.142 -8.462
834 H THR 102 H THR 102 -4.049 6.098 -8.113
835 HA THR 102 HA THR 102 -4.760 4.379 -10.290
836 HB THR 102 HB THR 102 -6.278 4.812 -7.697
837 HG1 THR 102 HG1 THR 102 -3.919 4.259 -7.666
838 HG21 THR 102 HG21 THR 102 -7.620 3.170 -8.432
839 HG22 THR 102 HG22 THR 102 -6.225 2.112 -8.651
840 HG23 THR 102 HG23 THR 102 -6.750 3.163 -9.967
841 H GLU 103 H GLU 103 -6.144 7.308 -8.951
842 HA GLU 103 HA GLU 103 -8.570 7.071 -10.615
843 HB2 GLU 103 HB2 GLU 103 -8.647 8.063 -8.316
844 HB3 GLU 103 HB3 GLU 103 -7.638 9.390 -8.897
845 HG2 GLU 103 HG2 GLU 103 -9.362 9.900 -10.624
846 HG3 GLU 103 HG3 GLU 103 -10.386 8.639 -9.938
847 HHA HEC 104 HA HEC 104 2.837 -6.332 0.984
848 HHB HEC 104 HB HEC 104 1.448 -0.146 1.123
849 HHC HEC 104 HC HEC 104 7.504 1.161 2.459
850 HHD HEC 104 HD HEC 104 8.902 -4.984 2.045
851 HMA1 HEC 104 1HMA HEC 104 -0.108 -1.345 -0.195
852 HMA2 HEC 104 2HMA HEC 104 -0.775 -1.759 1.385
853 HMA3 HEC 104 3HMA HEC 104 -0.928 -2.889 0.039
854 HAA1 HEC 104 1HAA HEC 104 0.709 -6.108 1.260
855 HAA2 HEC 104 2HAA HEC 104 -0.467 -4.921 1.771
856 HBA1 HEC 104 1HBA HEC 104 -0.077 -4.780 -1.088
857 HBA2 HEC 104 2HBA HEC 104 -1.557 -5.072 -0.177
858 HMB1 HEC 104 1HMB HEC 104 1.732 2.111 1.002
859 HMB2 HEC 104 2HMB HEC 104 1.984 2.189 2.746
860 HMB3 HEC 104 3HMB HEC 104 2.809 3.328 1.683
861 HAB HEC 104 HAB HEC 104 6.550 3.003 2.020
862 HBB1 HEC 104 1HBB HEC 104 4.132 3.351 3.580
863 HBB2 HEC 104 2HBB HEC 104 4.592 4.834 2.744
864 HBB3 HEC 104 3HBB HEC 104 5.735 4.043 3.830
865 HMC1 HEC 104 1HMC HEC 104 9.547 0.407 3.928
866 HMC2 HEC 104 2HMC HEC 104 10.915 -0.331 3.104
867 HMC3 HEC 104 3HMC HEC 104 9.933 0.875 2.272
868 HAC HEC 104 HAC HEC 104 10.690 -3.833 1.731
869 HBC1 HEC 104 1HBC HEC 104 10.968 -2.352 4.233
870 HBC2 HEC 104 2HBC HEC 104 11.654 -3.911 3.777
871 HBC3 HEC 104 3HBC HEC 104 12.478 -2.419 3.324
872 HMD1 HEC 104 1HMD HEC 104 8.416 -7.036 2.799
873 HMD2 HEC 104 2HMD HEC 104 8.455 -7.671 1.156
874 HMD3 HEC 104 3HMD HEC 104 7.383 -8.377 2.357
875 HAD1 HEC 104 1HAD HEC 104 4.197 -7.925 0.091
876 HAD2 HEC 104 2HAD HEC 104 4.242 -8.493 1.744
877 HBD1 HEC 104 1HBD HEC 104 6.088 -9.812 1.380
878 HBD2 HEC 104 2HBD HEC 104 6.746 -8.743 0.141
Start of MODEL 8
1 H1 THR -5 H1 THR -5 -17.185 5.541 -2.559
2 H2 THR -5 H2 THR -5 -16.114 4.639 -1.597
3 H3 THR -5 H3 THR -5 -15.650 6.162 -2.193
4 HA THR -5 HA THR -5 -17.934 6.727 -0.848
5 HB THR -5 HB THR -5 -16.329 5.042 1.041
6 HG1 THR -5 HG1 THR -5 -18.542 3.980 -0.322
7 HG21 THR -5 HG21 THR -5 -18.564 4.861 2.122
8 HG22 THR -5 HG22 THR -5 -19.243 5.843 0.824
9 HG23 THR -5 HG23 THR -5 -18.049 6.536 1.920
10 H GLU -4 H GLU -4 -17.460 8.410 0.662
11 HA GLU -4 HA GLU -4 -15.033 9.819 0.250
12 HB2 GLU -4 HB2 GLU -4 -16.968 9.991 2.582
13 HB3 GLU -4 HB3 GLU -4 -15.729 11.187 2.202
14 HG2 GLU -4 HG2 GLU -4 -16.772 11.526 -0.030
15 HG3 GLU -4 HG3 GLU -4 -18.044 10.387 0.416
16 H PHE -3 H PHE -3 -13.120 9.934 1.460
17 HA PHE -3 HA PHE -3 -12.865 8.077 3.768
18 HB2 PHE -3 HB2 PHE -3 -10.729 7.243 2.915
19 HB3 PHE -3 HB3 PHE -3 -11.996 6.947 1.726
20 HD1 PHE -3 HD2 PHE -3 -12.266 8.577 -0.210
21 HD2 PHE -3 HD1 PHE -3 -8.855 8.593 2.394
22 HE1 PHE -3 HE2 PHE -3 -10.991 9.881 -1.890
23 HE2 PHE -3 HE1 PHE -3 -7.578 9.900 0.717
24 HZ PHE -3 HZ PHE -3 -8.645 10.542 -1.426
25 H LYS -2 H LYS -2 -10.849 8.591 5.065
26 HA LYS -2 HA LYS -2 -10.720 11.432 5.560
27 HB2 LYS -2 HB2 LYS -2 -8.819 9.280 6.534
28 HB3 LYS -2 HB3 LYS -2 -9.075 10.867 7.258
29 HG2 LYS -2 HG2 LYS -2 -11.233 8.758 6.978
30 HG3 LYS -2 HG3 LYS -2 -10.297 9.025 8.446
31 HD2 LYS -2 HD2 LYS -2 -11.084 11.471 8.304
32 HD3 LYS -2 HD3 LYS -2 -12.259 10.900 7.117
33 HE2 LYS -2 HE2 LYS -2 -11.960 9.755 9.905
34 HE3 LYS -2 HE3 LYS -2 -13.176 10.944 9.441
35 HZ1 LYS -2 HZ1 LYS -2 -13.088 8.118 8.930
36 HZ2 LYS -2 HZ2 LYS -2 -13.428 9.038 7.541
37 HZ3 LYS -2 HZ3 LYS -2 -14.410 9.180 8.920
38 H ALA -1 H ALA -1 -9.199 12.924 4.898
39 HA ALA -1 HA ALA -1 -6.860 11.932 3.352
40 HB1 ALA -1 HB1 ALA -1 -8.139 14.386 2.313
41 HB2 ALA -1 HB2 ALA -1 -9.059 12.901 2.072
42 HB3 ALA -1 HB3 ALA -1 -7.418 13.035 1.437
43 H GLY 1 H GLY 1 -6.265 14.749 2.591
44 HA2 GLY 1 HA2 GLY 1 -6.104 16.515 4.772
45 HA3 GLY 1 HA3 GLY 1 -4.690 15.467 4.889
46 H SER 2 H SER 2 -3.281 15.358 2.936
47 HA SER 2 HA SER 2 -3.579 17.567 1.014
48 HB2 SER 2 HB2 SER 2 -0.896 17.763 1.729
49 HB3 SER 2 HB3 SER 2 -2.163 18.907 2.160
50 HG SER 2 HG SER 2 -2.467 17.014 3.861
51 H ALA 3 H ALA 3 -3.411 16.408 -0.848
52 HA ALA 3 HA ALA 3 -2.030 13.915 -1.091
53 HB1 ALA 3 HB1 ALA 3 -2.810 13.917 -3.243
54 HB2 ALA 3 HB2 ALA 3 -2.318 15.587 -3.526
55 HB3 ALA 3 HB3 ALA 3 -3.807 15.243 -2.646
56 H LYS 4 H LYS 4 -0.963 17.213 -1.275
57 HA LYS 4 HA LYS 4 1.352 16.988 -2.872
58 HB2 LYS 4 HB2 LYS 4 1.002 18.605 -0.328
59 HB3 LYS 4 HB3 LYS 4 2.194 18.909 -1.593
60 HG2 LYS 4 HG2 LYS 4 0.590 19.635 -3.123
61 HG3 LYS 4 HG3 LYS 4 -0.718 18.771 -2.314
62 HD2 LYS 4 HD2 LYS 4 0.708 20.968 -0.849
63 HD3 LYS 4 HD3 LYS 4 -0.514 21.387 -2.050
64 HE2 LYS 4 HE2 LYS 4 -2.119 19.859 -0.876
65 HE3 LYS 4 HE3 LYS 4 -0.907 19.609 0.379
66 HZ1 LYS 4 HZ1 LYS 4 -2.669 21.434 0.697
67 HZ2 LYS 4 HZ2 LYS 4 -1.721 22.337 -0.385
68 HZ3 LYS 4 HZ3 LYS 4 -1.055 21.788 1.078
69 H LYS 5 H LYS 5 1.189 16.709 0.704
70 HA LYS 5 HA LYS 5 3.860 15.704 0.956
71 HB2 LYS 5 HB2 LYS 5 1.475 15.479 2.795
72 HB3 LYS 5 HB3 LYS 5 3.120 15.048 3.245
73 HG2 LYS 5 HG2 LYS 5 3.836 17.377 2.691
74 HG3 LYS 5 HG3 LYS 5 2.148 17.786 2.385
75 HD2 LYS 5 HD2 LYS 5 1.598 17.083 4.718
76 HD3 LYS 5 HD3 LYS 5 3.316 16.818 5.009
77 HE2 LYS 5 HE2 LYS 5 3.612 19.264 4.189
78 HE3 LYS 5 HE3 LYS 5 1.879 19.413 4.480
79 HZ1 LYS 5 HZ1 LYS 5 2.978 18.134 6.688
80 HZ2 LYS 5 HZ2 LYS 5 2.327 19.701 6.613
81 HZ3 LYS 5 HZ3 LYS 5 3.987 19.454 6.347
82 H GLY 6 H GLY 6 0.708 14.134 0.645
83 HA2 GLY 6 HA2 GLY 6 1.527 11.469 1.176
84 HA3 GLY 6 HA3 GLY 6 0.155 11.909 0.163
85 H ALA 7 H ALA 7 1.600 13.351 -1.833
86 HA ALA 7 HA ALA 7 2.386 11.195 -3.536
87 HB1 ALA 7 HB1 ALA 7 2.543 12.795 -5.158
88 HB2 ALA 7 HB2 ALA 7 3.513 13.864 -4.144
89 HB3 ALA 7 HB3 ALA 7 1.761 13.816 -3.950
90 H THR 8 H THR 8 4.300 13.560 -1.691
91 HA THR 8 HA THR 8 6.824 12.396 -2.536
92 HB THR 8 HB THR 8 7.826 13.948 -0.978
93 HG1 THR 8 HG1 THR 8 5.406 13.663 0.230
94 HG21 THR 8 HG21 THR 8 5.488 15.554 -1.884
95 HG22 THR 8 HG22 THR 8 6.417 14.707 -3.120
96 HG23 THR 8 HG23 THR 8 7.212 15.879 -2.068
97 H LEU 9 H LEU 9 4.585 11.910 0.132
98 HA LEU 9 HA LEU 9 6.307 10.609 1.962
99 HB2 LEU 9 HB2 LEU 9 3.904 11.231 2.382
100 HB3 LEU 9 HB3 LEU 9 3.429 9.864 1.374
101 HG LEU 9 HG LEU 9 4.717 8.350 2.883
102 HD11 LEU 9 HD11 LEU 9 5.086 9.606 5.221
103 HD12 LEU 9 HD12 LEU 9 5.322 10.987 4.147
104 HD13 LEU 9 HD13 LEU 9 6.344 9.559 3.985
105 HD21 LEU 9 HD21 LEU 9 2.216 9.503 3.275
106 HD22 LEU 9 HD22 LEU 9 2.996 9.671 4.848
107 HD23 LEU 9 HD23 LEU 9 2.833 8.078 4.109
108 H PHE 10 H PHE 10 4.450 9.283 -0.765
109 HA PHE 10 HA PHE 10 5.322 6.570 -0.440
110 HB2 PHE 10 HB2 PHE 10 3.417 7.162 -1.889
111 HB3 PHE 10 HB3 PHE 10 4.499 8.064 -2.954
112 HD1 PHE 10 HD1 PHE 10 6.401 6.813 -4.113
113 HD2 PHE 10 HD2 PHE 10 3.153 4.812 -2.131
114 HE1 PHE 10 HE1 PHE 10 6.921 4.734 -5.363
115 HE2 PHE 10 HE2 PHE 10 3.674 2.734 -3.385
116 HZ PHE 10 HZ PHE 10 5.556 2.699 -5.002
117 H LYS 11 H LYS 11 6.556 9.284 -2.368
118 HA LYS 11 HA LYS 11 8.685 7.882 -3.605
119 HB2 LYS 11 HB2 LYS 11 8.437 10.812 -2.890
120 HB3 LYS 11 HB3 LYS 11 9.656 10.144 -3.973
121 HG2 LYS 11 HG2 LYS 11 7.816 9.233 -5.404
122 HG3 LYS 11 HG3 LYS 11 6.655 10.057 -4.364
123 HD2 LYS 11 HD2 LYS 11 7.800 12.220 -4.867
124 HD3 LYS 11 HD3 LYS 11 8.846 11.363 -6.001
125 HE2 LYS 11 HE2 LYS 11 6.912 10.690 -7.333
126 HE3 LYS 11 HE3 LYS 11 5.818 11.437 -6.169
127 HZ1 LYS 11 HZ1 LYS 11 6.794 13.577 -6.649
128 HZ2 LYS 11 HZ2 LYS 11 6.236 12.866 -8.087
129 HZ3 LYS 11 HZ3 LYS 11 7.897 12.875 -7.728
130 H THR 12 H THR 12 8.487 9.513 -0.474
131 HA THR 12 HA THR 12 11.362 9.049 -0.007
132 HB THR 12 HB THR 12 11.014 10.364 2.019
133 HG1 THR 12 HG1 THR 12 8.309 10.082 1.269
134 HG21 THR 12 HG21 THR 12 11.385 11.672 0.049
135 HG22 THR 12 HG22 THR 12 10.060 12.445 0.920
136 HG23 THR 12 HG23 THR 12 9.721 11.441 -0.489
137 H ARG 13 H ARG 13 8.779 7.036 0.225
138 HA ARG 13 HA ARG 13 10.043 5.634 2.532
139 HB2 ARG 13 HB2 ARG 13 7.092 6.218 2.230
140 HB3 ARG 13 HB3 ARG 13 7.747 5.044 3.372
141 HG2 ARG 13 HG2 ARG 13 9.174 6.872 4.338
142 HG3 ARG 13 HG3 ARG 13 8.334 8.017 3.291
143 HD2 ARG 13 HD2 ARG 13 6.170 7.303 4.316
144 HD3 ARG 13 HD3 ARG 13 7.073 6.274 5.427
145 HE ARG 13 HE ARG 13 6.789 9.154 5.637
146 HH11 ARG 13 HH21 ARG 13 8.839 6.435 6.178
147 HH12 ARG 13 HH22 ARG 13 9.704 7.179 7.481
148 HH21 ARG 13 HH11 ARG 13 7.907 10.140 7.335
149 HH22 ARG 13 HH12 ARG 13 9.176 9.276 8.137
150 H CYS 14 H CYS 14 7.218 5.073 0.382
151 HA CYS 14 HA CYS 14 7.740 2.249 0.268
152 HB2 CYS 14 HB2 CYS 14 6.234 3.586 -1.928
153 HB3 CYS 14 HB3 CYS 14 5.869 2.093 -1.072
154 H LEU 15 H LEU 15 8.883 4.934 -1.675
155 HA LEU 15 HA LEU 15 9.692 3.546 -4.000
156 HB2 LEU 15 HB2 LEU 15 9.813 5.995 -3.753
157 HB3 LEU 15 HB3 LEU 15 11.150 5.813 -2.620
158 HG LEU 15 HG LEU 15 12.422 4.611 -4.428
159 HD11 LEU 15 HD11 LEU 15 11.419 5.238 -6.787
160 HD12 LEU 15 HD12 LEU 15 9.891 5.260 -5.906
161 HD13 LEU 15 HD13 LEU 15 10.863 3.789 -5.950
162 HD21 LEU 15 HD21 LEU 15 12.274 6.907 -5.945
163 HD22 LEU 15 HD22 LEU 15 13.243 6.728 -4.483
164 HD23 LEU 15 HD23 LEU 15 11.635 7.447 -4.393
165 H GLN 16 H GLN 16 11.247 3.773 -0.834
166 HA GLN 16 HA GLN 16 13.773 2.702 -1.504
167 HB2 GLN 16 HB2 GLN 16 12.169 2.304 1.039
168 HB3 GLN 16 HB3 GLN 16 13.897 1.998 0.868
169 HG2 GLN 16 HG2 GLN 16 12.540 4.676 0.431
170 HG3 GLN 16 HG3 GLN 16 13.477 4.226 1.856
171 HE21 GLN 16 HE21 GLN 16 13.841 6.096 -0.754
172 HE22 GLN 16 HE22 GLN 16 15.476 5.832 -1.122
173 H CYS 17 H CYS 17 10.706 1.017 -0.847
174 HA CYS 17 HA CYS 17 12.095 -1.539 -1.543
175 HB2 CYS 17 HB2 CYS 17 9.583 -1.107 0.084
176 HB3 CYS 17 HB3 CYS 17 10.290 -2.675 -0.293
177 H HIS 18 H HIS 18 8.986 0.174 -1.965
178 HA HIS 18 HA HIS 18 8.384 -1.633 -4.249
179 HB2 HIS 18 HB2 HIS 18 6.703 0.594 -3.074
180 HB3 HIS 18 HB3 HIS 18 6.181 -0.581 -4.274
181 HD1 HIS 18 HD1 HIS 18 6.263 -3.185 -3.393
182 HD2 HIS 18 HD2 HIS 18 6.300 -0.199 -0.491
183 HE1 HIS 18 HE1 HIS 18 5.478 -4.268 -1.233
184 H THR 19 H THR 19 7.854 -0.758 -6.320
185 HA THR 19 HA THR 19 8.871 2.013 -6.804
186 HB THR 19 HB THR 19 9.620 1.212 -9.042
187 HG1 THR 19 HG1 THR 19 9.104 -0.715 -9.658
188 HG21 THR 19 HG21 THR 19 10.953 1.081 -6.727
189 HG22 THR 19 HG22 THR 19 11.657 0.505 -8.240
190 HG23 THR 19 HG23 THR 19 10.934 -0.641 -7.111
191 H VAL 20 H VAL 20 7.506 3.292 -8.036
192 HA VAL 20 HA VAL 20 4.767 2.487 -8.319
193 HB VAL 20 HB VAL 20 6.302 4.796 -9.551
194 HG11 VAL 20 HG11 VAL 20 3.601 5.469 -9.367
195 HG12 VAL 20 HG12 VAL 20 3.589 3.818 -9.985
196 HG13 VAL 20 HG13 VAL 20 4.474 5.075 -10.848
197 HG21 VAL 20 HG21 VAL 20 4.506 5.754 -7.672
198 HG22 VAL 20 HG22 VAL 20 6.231 5.512 -7.402
199 HG23 VAL 20 HG23 VAL 20 5.082 4.259 -6.937
200 H GLU 21 H GLU 21 7.495 2.545 -10.579
201 HA GLU 21 HA GLU 21 6.128 2.167 -13.006
202 HB2 GLU 21 HB2 GLU 21 8.728 0.889 -12.101
203 HB3 GLU 21 HB3 GLU 21 8.168 0.970 -13.773
204 HG2 GLU 21 HG2 GLU 21 8.126 3.447 -13.620
205 HG3 GLU 21 HG3 GLU 21 8.752 3.339 -11.974
206 H LYS 22 H LYS 22 5.290 0.338 -14.058
207 HA LYS 22 HA LYS 22 4.378 -1.804 -12.284
208 HB2 LYS 22 HB2 LYS 22 4.021 -1.378 -15.266
209 HB3 LYS 22 HB3 LYS 22 3.221 -2.638 -14.326
210 HG2 LYS 22 HG2 LYS 22 2.221 -0.863 -12.878
211 HG3 LYS 22 HG3 LYS 22 2.936 0.354 -13.936
212 HD2 LYS 22 HD2 LYS 22 1.697 -0.645 -15.859
213 HD3 LYS 22 HD3 LYS 22 0.916 -1.761 -14.738
214 HE2 LYS 22 HE2 LYS 22 0.793 1.137 -14.057
215 HE3 LYS 22 HE3 LYS 22 -0.192 0.593 -15.413
216 HZ1 LYS 22 HZ1 LYS 22 -0.679 0.269 -12.676
217 HZ2 LYS 22 HZ2 LYS 22 -0.446 -1.273 -13.349
218 HZ3 LYS 22 HZ3 LYS 22 -1.636 -0.238 -13.981
219 H GLY 23 H GLY 23 5.230 -3.846 -12.158
220 HA2 GLY 23 HA2 GLY 23 6.567 -5.714 -12.711
221 HA3 GLY 23 HA3 GLY 23 6.897 -4.961 -14.273
222 H GLY 24 H GLY 24 7.455 -3.336 -11.204
223 HA2 GLY 24 HA2 GLY 24 10.112 -2.575 -11.884
224 HA3 GLY 24 HA3 GLY 24 9.444 -2.526 -10.252
225 HA PRO 25 HA PRO 25 12.779 -5.919 -10.950
226 HB2 PRO 25 HB2 PRO 25 14.490 -4.824 -9.031
227 HB3 PRO 25 HB3 PRO 25 14.660 -4.652 -10.786
228 HG2 PRO 25 HG2 PRO 25 13.550 -2.756 -8.798
229 HG3 PRO 25 HG3 PRO 25 14.456 -2.438 -10.286
230 HD2 PRO 25 HD2 PRO 25 11.768 -2.068 -10.119
231 HD3 PRO 25 HD3 PRO 25 12.565 -2.574 -11.626
232 H HIS 26 H HIS 26 11.012 -4.529 -8.304
233 HA HIS 26 HA HIS 26 10.304 -5.451 -6.256
234 HB2 HIS 26 HB2 HIS 26 11.046 -8.089 -7.559
235 HB3 HIS 26 HB3 HIS 26 9.932 -7.854 -6.223
236 HD1 HIS 26 HD1 HIS 26 7.850 -6.107 -6.884
237 HD2 HIS 26 HD2 HIS 26 9.761 -8.169 -9.951
238 HE1 HIS 26 HE1 HIS 26 6.268 -6.066 -8.869
239 HE2 HIS 26 HE2 HIS 26 7.432 -7.306 -10.751
240 H LYS 27 H LYS 27 12.974 -4.536 -6.311
241 HA LYS 27 HA LYS 27 14.976 -6.347 -5.541
242 HB2 LYS 27 HB2 LYS 27 14.528 -3.546 -4.466
243 HB3 LYS 27 HB3 LYS 27 16.047 -4.437 -4.436
244 HG2 LYS 27 HG2 LYS 27 15.955 -4.575 -6.931
245 HG3 LYS 27 HG3 LYS 27 14.529 -3.538 -6.885
246 HD2 LYS 27 HD2 LYS 27 15.872 -1.808 -5.685
247 HD3 LYS 27 HD3 LYS 27 17.298 -2.828 -5.881
248 HE2 LYS 27 HE2 LYS 27 16.587 -2.801 -8.425
249 HE3 LYS 27 HE3 LYS 27 15.747 -1.323 -7.959
250 HZ1 LYS 27 HZ1 LYS 27 17.768 -0.456 -8.430
251 HZ2 LYS 27 HZ2 LYS 27 18.608 -1.885 -8.059
252 HZ3 LYS 27 HZ3 LYS 27 18.064 -0.869 -6.811
253 H VAL 28 H VAL 28 13.570 -4.202 -3.103
254 HA VAL 28 HA VAL 28 14.067 -6.111 -0.990
255 HB VAL 28 HB VAL 28 12.244 -3.712 -0.887
256 HG11 VAL 28 HG11 VAL 28 13.846 -5.215 1.199
257 HG12 VAL 28 HG12 VAL 28 12.089 -5.162 1.060
258 HG13 VAL 28 HG13 VAL 28 12.982 -3.707 1.503
259 HG21 VAL 28 HG21 VAL 28 15.252 -3.918 -0.607
260 HG22 VAL 28 HG22 VAL 28 14.317 -2.516 -0.087
261 HG23 VAL 28 HG23 VAL 28 14.355 -2.968 -1.792
262 H GLY 29 H GLY 29 11.053 -4.936 -2.510
263 HA2 GLY 29 HA2 GLY 29 9.803 -7.542 -1.848
264 HA3 GLY 29 HA3 GLY 29 9.033 -6.094 -1.204
265 HA PRO 30 HA PRO 30 7.547 -7.299 -5.594
266 HB2 PRO 30 HB2 PRO 30 4.911 -7.050 -4.342
267 HB3 PRO 30 HB3 PRO 30 5.571 -8.383 -5.300
268 HG2 PRO 30 HG2 PRO 30 5.172 -8.351 -2.544
269 HG3 PRO 30 HG3 PRO 30 6.106 -9.535 -3.464
270 HD2 PRO 30 HD2 PRO 30 7.075 -7.511 -1.627
271 HD3 PRO 30 HD3 PRO 30 7.993 -8.790 -2.447
272 H ASN 31 H ASN 31 6.515 -5.761 -6.986
273 HA ASN 31 HA ASN 31 6.402 -3.040 -5.808
274 HB2 ASN 31 HB2 ASN 31 6.262 -3.799 -8.733
275 HB3 ASN 31 HB3 ASN 31 6.686 -2.235 -8.038
276 HD21 ASN 31 HD21 ASN 31 8.411 -3.258 -5.915
277 HD22 ASN 31 HD22 ASN 31 9.812 -3.851 -6.667
278 H LEU 32 H LEU 32 4.489 -1.977 -5.579
279 HA LEU 32 HA LEU 32 2.021 -3.430 -6.217
280 HB2 LEU 32 HB2 LEU 32 2.629 -0.870 -4.721
281 HB3 LEU 32 HB3 LEU 32 0.987 -1.424 -5.011
282 HG LEU 32 HG LEU 32 1.974 -2.090 -2.769
283 HD11 LEU 32 HD11 LEU 32 0.350 -3.628 -2.887
284 HD12 LEU 32 HD12 LEU 32 1.457 -4.717 -3.722
285 HD13 LEU 32 HD13 LEU 32 0.440 -3.616 -4.645
286 HD21 LEU 32 HD21 LEU 32 3.510 -4.122 -4.398
287 HD22 LEU 32 HD22 LEU 32 3.625 -3.802 -2.668
288 HD23 LEU 32 HD23 LEU 32 4.240 -2.622 -3.823
289 H HIS 33 H HIS 33 1.146 -0.288 -6.254
290 HA HIS 33 HA HIS 33 0.450 1.204 -7.904
291 HB2 HIS 33 HB2 HIS 33 2.953 1.079 -8.445
292 HB3 HIS 33 HB3 HIS 33 2.511 -0.054 -9.725
293 HD1 HIS 33 HD1 HIS 33 1.319 3.389 -8.548
294 HD2 HIS 33 HD2 HIS 33 1.966 1.266 -12.079
295 HE1 HIS 33 HE1 HIS 33 0.775 4.974 -10.449
296 HE2 HIS 33 HE2 HIS 33 1.165 3.692 -12.602
297 H GLY 34 H GLY 34 -1.522 -0.295 -7.899
298 HA2 GLY 34 HA2 GLY 34 -2.866 -0.602 -10.142
299 HA3 GLY 34 HA3 GLY 34 -1.703 -1.898 -10.403
300 H ILE 35 H ILE 35 -1.779 -2.403 -7.364
301 HA ILE 35 HA ILE 35 -3.859 -4.411 -7.514
302 HB ILE 35 HB ILE 35 -3.112 -5.178 -5.408
303 HG12 ILE 35 HG12 ILE 35 -3.305 -3.102 -4.126
304 HG13 ILE 35 HG13 ILE 35 -1.693 -3.768 -3.909
305 HG21 ILE 35 HG21 ILE 35 -0.693 -3.821 -6.622
306 HG22 ILE 35 HG22 ILE 35 -1.433 -5.280 -7.280
307 HG23 ILE 35 HG23 ILE 35 -0.717 -5.305 -5.668
308 HD11 ILE 35 HD11 ILE 35 -1.387 -1.435 -4.321
309 HD12 ILE 35 HD12 ILE 35 -2.508 -1.461 -5.679
310 HD13 ILE 35 HD13 ILE 35 -0.945 -2.254 -5.817
311 H PHE 36 H PHE 36 -4.048 -1.130 -6.836
312 HA PHE 36 HA PHE 36 -5.797 -0.993 -4.626
313 HB2 PHE 36 HB2 PHE 36 -5.111 0.731 -6.890
314 HB3 PHE 36 HB3 PHE 36 -6.783 0.934 -6.364
315 HD1 PHE 36 HD2 PHE 36 -3.432 0.384 -4.738
316 HD2 PHE 36 HD1 PHE 36 -7.126 2.571 -4.749
317 HE1 PHE 36 HE2 PHE 36 -2.662 1.687 -2.780
318 HE2 PHE 36 HE1 PHE 36 -6.356 3.879 -2.787
319 HZ PHE 36 HZ PHE 36 -4.123 3.433 -1.801
320 H GLY 37 H GLY 37 -6.265 -2.735 -7.421
321 HA2 GLY 37 HA2 GLY 37 -9.177 -2.923 -6.854
322 HA3 GLY 37 HA3 GLY 37 -8.672 -2.607 -8.516
323 H ARG 38 H ARG 38 -6.913 -4.680 -6.264
324 HA ARG 38 HA ARG 38 -7.828 -7.068 -7.802
325 HB2 ARG 38 HB2 ARG 38 -4.962 -6.340 -7.148
326 HB3 ARG 38 HB3 ARG 38 -5.469 -7.903 -7.774
327 HG2 ARG 38 HG2 ARG 38 -6.212 -5.374 -9.226
328 HG3 ARG 38 HG3 ARG 38 -4.624 -6.105 -9.459
329 HD2 ARG 38 HD2 ARG 38 -5.788 -8.280 -9.996
330 HD3 ARG 38 HD3 ARG 38 -7.318 -7.401 -9.967
331 HE ARG 38 HE ARG 38 -5.368 -7.329 -12.109
332 HH11 ARG 38 HH21 ARG 38 -7.737 -5.551 -10.346
333 HH12 ARG 38 HH22 ARG 38 -8.104 -4.480 -11.657
334 HH21 ARG 38 HH11 ARG 38 -5.833 -5.941 -13.832
335 HH22 ARG 38 HH12 ARG 38 -7.025 -4.702 -13.631
336 H HIS 39 H HIS 39 -6.923 -9.109 -6.658
337 HA HIS 39 HA HIS 39 -7.658 -8.890 -3.809
338 HB2 HIS 39 HB2 HIS 39 -7.261 -11.161 -5.744
339 HB3 HIS 39 HB3 HIS 39 -7.300 -11.465 -4.013
340 HD1 HIS 39 HD1 HIS 39 -9.429 -9.748 -6.659
341 HD2 HIS 39 HD2 HIS 39 -9.868 -11.674 -2.990
342 HE1 HIS 39 HE1 HIS 39 -11.918 -9.915 -6.237
343 HE2 HIS 39 HE2 HIS 39 -12.200 -11.084 -4.002
344 H SER 40 H SER 40 -6.209 -9.286 -2.123
345 HA SER 40 HA SER 40 -3.485 -8.685 -2.476
346 HB2 SER 40 HB2 SER 40 -5.088 -9.200 -0.299
347 HB3 SER 40 HB3 SER 40 -4.004 -10.584 -0.287
348 HG SER 40 HG SER 40 -2.609 -8.375 -0.835
349 H GLY 41 H GLY 41 -1.710 -9.876 -3.009
350 HA2 GLY 41 HA2 GLY 41 -0.481 -11.976 -3.119
351 HA3 GLY 41 HA3 GLY 41 -2.015 -12.826 -3.223
352 H GLN 42 H GLN 42 -2.509 -10.288 -5.192
353 HA GLN 42 HA GLN 42 -1.615 -11.865 -7.563
354 HB2 GLN 42 HB2 GLN 42 -3.707 -9.680 -7.320
355 HB3 GLN 42 HB3 GLN 42 -3.297 -10.536 -8.809
356 HG2 GLN 42 HG2 GLN 42 -3.931 -12.672 -7.788
357 HG3 GLN 42 HG3 GLN 42 -4.297 -11.853 -6.269
358 HE21 GLN 42 HE21 GLN 42 -6.326 -13.317 -7.637
359 HE22 GLN 42 HE22 GLN 42 -7.482 -12.225 -8.229
360 H ALA 43 H ALA 43 0.183 -11.155 -8.532
361 HA ALA 43 HA ALA 43 0.547 -8.339 -9.178
362 HB1 ALA 43 HB1 ALA 43 2.942 -8.509 -8.027
363 HB2 ALA 43 HB2 ALA 43 2.092 -9.624 -6.957
364 HB3 ALA 43 HB3 ALA 43 1.537 -7.957 -7.116
365 H GLU 44 H GLU 44 0.991 -8.756 -11.302
366 HA GLU 44 HA GLU 44 2.333 -11.070 -12.289
367 HB2 GLU 44 HB2 GLU 44 2.030 -8.313 -13.524
368 HB3 GLU 44 HB3 GLU 44 2.586 -9.744 -14.392
369 HG2 GLU 44 HG2 GLU 44 0.450 -10.886 -13.836
370 HG3 GLU 44 HG3 GLU 44 -0.110 -9.413 -13.042
371 H GLY 45 H GLY 45 3.489 -7.888 -11.273
372 HA2 GLY 45 HA2 GLY 45 6.146 -8.048 -12.239
373 HA3 GLY 45 HA3 GLY 45 5.668 -7.176 -10.776
374 H TYR 46 H TYR 46 4.616 -9.434 -9.366
375 HA TYR 46 HA TYR 46 6.433 -11.618 -9.240
376 HB2 TYR 46 HB2 TYR 46 8.163 -10.245 -8.421
377 HB3 TYR 46 HB3 TYR 46 7.050 -9.262 -7.468
378 HD1 TYR 46 HD1 TYR 46 7.525 -12.976 -7.760
379 HD2 TYR 46 HD2 TYR 46 7.548 -9.530 -5.199
380 HE1 TYR 46 HE1 TYR 46 7.899 -14.438 -5.792
381 HE2 TYR 46 HE2 TYR 46 7.917 -10.990 -3.227
382 HH TYR 46 HH TYR 46 8.209 -14.529 -3.603
383 H SER 47 H SER 47 5.322 -13.199 -8.239
384 HA SER 47 HA SER 47 2.820 -12.678 -6.940
385 HB2 SER 47 HB2 SER 47 4.564 -15.156 -6.785
386 HB3 SER 47 HB3 SER 47 2.858 -15.068 -6.355
387 HG SER 47 HG SER 47 2.331 -14.949 -8.423
388 H TYR 48 H TYR 48 2.337 -12.477 -4.771
389 HA TYR 48 HA TYR 48 4.382 -11.571 -2.981
390 HB2 TYR 48 HB2 TYR 48 1.568 -12.532 -2.425
391 HB3 TYR 48 HB3 TYR 48 2.590 -11.704 -1.260
392 HD1 TYR 48 HD2 TYR 48 1.053 -11.320 -4.650
393 HD2 TYR 48 HD1 TYR 48 2.728 -9.353 -1.218
394 HE1 TYR 48 HE2 TYR 48 0.343 -9.126 -5.556
395 HE2 TYR 48 HE1 TYR 48 2.024 -7.164 -2.129
396 HH TYR 48 HH TYR 48 0.143 -6.384 -3.758
397 H THR 49 H THR 49 4.119 -12.756 -0.588
398 HA THR 49 HA THR 49 5.582 -15.234 -0.889
399 HB THR 49 HB THR 49 4.268 -14.101 1.601
400 HG1 THR 49 HG1 THR 49 6.979 -13.820 1.098
401 HG21 THR 49 HG21 THR 49 5.144 -15.882 2.651
402 HG22 THR 49 HG22 THR 49 6.745 -15.486 2.024
403 HG23 THR 49 HG23 THR 49 5.664 -16.522 1.093
404 H ASP 50 H ASP 50 4.843 -17.361 -0.392
405 HA ASP 50 HA ASP 50 2.298 -18.101 -1.279
406 HB2 ASP 50 HB2 ASP 50 4.129 -19.472 0.706
407 HB3 ASP 50 HB3 ASP 50 2.700 -20.229 0.011
408 H ALA 51 H ALA 51 3.319 -17.257 2.025
409 HA ALA 51 HA ALA 51 0.869 -18.002 3.308
410 HB1 ALA 51 HB1 ALA 51 1.611 -16.552 5.141
411 HB2 ALA 51 HB2 ALA 51 2.805 -15.801 4.082
412 HB3 ALA 51 HB3 ALA 51 2.971 -17.497 4.534
413 H ASN 52 H ASN 52 1.992 -14.823 2.129
414 HA ASN 52 HA ASN 52 -0.396 -13.390 2.680
415 HB2 ASN 52 HB2 ASN 52 1.704 -12.278 2.030
416 HB3 ASN 52 HB3 ASN 52 1.591 -12.990 0.421
417 HD21 ASN 52 HD21 ASN 52 1.664 -10.328 0.228
418 HD22 ASN 52 HD22 ASN 52 0.121 -9.654 -0.001
419 H ILE 53 H ILE 53 0.598 -15.221 -0.189
420 HA ILE 53 HA ILE 53 -1.715 -14.614 -1.757
421 HB ILE 53 HB ILE 53 0.115 -17.015 -1.843
422 HG12 ILE 53 HG12 ILE 53 0.096 -14.463 -3.482
423 HG13 ILE 53 HG13 ILE 53 1.191 -14.770 -2.134
424 HG21 ILE 53 HG21 ILE 53 -0.714 -17.221 -4.182
425 HG22 ILE 53 HG22 ILE 53 -1.876 -15.935 -3.857
426 HG23 ILE 53 HG23 ILE 53 -1.995 -17.469 -2.994
427 HD11 ILE 53 HD11 ILE 53 1.020 -16.286 -4.750
428 HD12 ILE 53 HD12 ILE 53 1.930 -16.871 -3.358
429 HD13 ILE 53 HD13 ILE 53 2.386 -15.355 -4.134
430 H LYS 54 H LYS 54 -1.083 -17.078 0.697
431 HA LYS 54 HA LYS 54 -3.276 -18.789 0.186
432 HB2 LYS 54 HB2 LYS 54 -1.526 -19.241 1.893
433 HB3 LYS 54 HB3 LYS 54 -2.203 -17.955 2.890
434 HG2 LYS 54 HG2 LYS 54 -4.370 -19.154 2.946
435 HG3 LYS 54 HG3 LYS 54 -3.655 -20.460 2.000
436 HD2 LYS 54 HD2 LYS 54 -1.935 -20.748 3.805
437 HD3 LYS 54 HD3 LYS 54 -2.812 -19.557 4.768
438 HE2 LYS 54 HE2 LYS 54 -4.676 -20.955 5.036
439 HE3 LYS 54 HE3 LYS 54 -4.254 -21.944 3.638
440 HZ1 LYS 54 HZ1 LYS 54 -3.194 -23.314 4.993
441 HZ2 LYS 54 HZ2 LYS 54 -3.552 -22.328 6.330
442 HZ3 LYS 54 HZ3 LYS 54 -2.131 -22.070 5.436
443 H LYS 55 H LYS 55 -3.108 -15.797 2.093
444 HA LYS 55 HA LYS 55 -6.086 -15.788 2.263
445 HB2 LYS 55 HB2 LYS 55 -4.672 -15.431 4.352
446 HB3 LYS 55 HB3 LYS 55 -4.139 -13.911 3.633
447 HG2 LYS 55 HG2 LYS 55 -6.504 -13.180 3.458
448 HG3 LYS 55 HG3 LYS 55 -7.008 -14.679 4.241
449 HD2 LYS 55 HD2 LYS 55 -5.569 -14.068 6.204
450 HD3 LYS 55 HD3 LYS 55 -5.259 -12.511 5.435
451 HE2 LYS 55 HE2 LYS 55 -7.949 -12.535 5.278
452 HE3 LYS 55 HE3 LYS 55 -7.742 -13.527 6.722
453 HZ1 LYS 55 HZ1 LYS 55 -7.287 -11.720 7.887
454 HZ2 LYS 55 HZ2 LYS 55 -7.564 -10.759 6.514
455 HZ3 LYS 55 HZ3 LYS 55 -5.999 -11.326 6.855
456 H ASN 56 H ASN 56 -7.155 -14.486 0.808
457 HA ASN 56 HA ASN 56 -5.735 -12.074 -0.195
458 HB2 ASN 56 HB2 ASN 56 -6.151 -12.614 -2.488
459 HB3 ASN 56 HB3 ASN 56 -5.395 -14.027 -1.766
460 HD21 ASN 56 HD21 ASN 56 -7.049 -14.243 -4.105
461 HD22 ASN 56 HD22 ASN 56 -8.451 -15.103 -3.687
462 H VAL 57 H VAL 57 -7.082 -10.363 -0.672
463 HA VAL 57 HA VAL 57 -10.008 -10.802 -0.684
464 HB VAL 57 HB VAL 57 -8.608 -8.838 1.141
465 HG11 VAL 57 HG11 VAL 57 -11.331 -9.043 0.115
466 HG12 VAL 57 HG12 VAL 57 -10.572 -7.731 1.017
467 HG13 VAL 57 HG13 VAL 57 -11.284 -9.097 1.877
468 HG21 VAL 57 HG21 VAL 57 -9.584 -10.242 2.950
469 HG22 VAL 57 HG22 VAL 57 -8.433 -11.142 1.962
470 HG23 VAL 57 HG23 VAL 57 -10.165 -11.374 1.729
471 H LEU 58 H LEU 58 -11.080 -9.325 -2.026
472 HA LEU 58 HA LEU 58 -9.685 -7.933 -4.024
473 HB2 LEU 58 HB2 LEU 58 -12.117 -8.341 -4.126
474 HB3 LEU 58 HB3 LEU 58 -12.364 -7.184 -2.820
475 HG LEU 58 HG LEU 58 -11.294 -5.417 -4.251
476 HD11 LEU 58 HD11 LEU 58 -10.043 -6.230 -5.960
477 HD12 LEU 58 HD12 LEU 58 -11.576 -6.396 -6.816
478 HD13 LEU 58 HD13 LEU 58 -10.890 -7.776 -5.962
479 HD21 LEU 58 HD21 LEU 58 -13.853 -6.793 -4.763
480 HD22 LEU 58 HD22 LEU 58 -13.295 -5.788 -6.100
481 HD23 LEU 58 HD23 LEU 58 -13.530 -5.079 -4.502
482 H TRP 59 H TRP 59 -8.924 -5.791 -4.201
483 HA TRP 59 HA TRP 59 -8.565 -4.443 -1.589
484 HB2 TRP 59 HB2 TRP 59 -7.016 -4.457 -4.152
485 HB3 TRP 59 HB3 TRP 59 -6.838 -3.111 -3.030
486 HD1 TRP 59 HD1 TRP 59 -5.241 -6.226 -3.763
487 HE1 TRP 59 HE1 TRP 59 -4.016 -7.196 -1.710
488 HE3 TRP 59 HE3 TRP 59 -7.371 -3.438 -0.035
489 HZ2 TRP 59 HZ2 TRP 59 -3.961 -6.852 1.114
490 HZ3 TRP 59 HZ3 TRP 59 -6.719 -3.795 2.322
491 HH2 TRP 59 HH2 TRP 59 -5.016 -5.505 2.904
492 H ASP 60 H ASP 60 -9.081 -2.296 -1.292
493 HA ASP 60 HA ASP 60 -10.272 -0.744 -3.501
494 HB2 ASP 60 HB2 ASP 60 -12.104 -2.150 -2.372
495 HB3 ASP 60 HB3 ASP 60 -11.827 -1.163 -0.936
496 H GLU 61 H GLU 61 -10.633 1.568 -2.723
497 HA GLU 61 HA GLU 61 -8.357 2.530 -1.339
498 HB2 GLU 61 HB2 GLU 61 -11.070 3.842 -1.681
499 HB3 GLU 61 HB3 GLU 61 -9.611 4.674 -1.147
500 HG2 GLU 61 HG2 GLU 61 -9.556 5.110 -3.432
501 HG3 GLU 61 HG3 GLU 61 -8.569 3.651 -3.336
502 H ASN 62 H ASN 62 -11.592 1.720 -0.139
503 HA ASN 62 HA ASN 62 -11.056 2.666 2.553
504 HB2 ASN 62 HB2 ASN 62 -13.160 0.761 1.485
505 HB3 ASN 62 HB3 ASN 62 -13.134 1.409 3.125
506 HD21 ASN 62 HD21 ASN 62 -15.308 1.962 1.333
507 HD22 ASN 62 HD22 ASN 62 -15.280 3.622 0.959
508 H ASN 63 H ASN 63 -11.063 -0.562 1.014
509 HA ASN 63 HA ASN 63 -10.408 -2.010 3.388
510 HB2 ASN 63 HB2 ASN 63 -9.883 -2.649 0.474
511 HB3 ASN 63 HB3 ASN 63 -9.692 -3.795 1.798
512 HD21 ASN 63 HD21 ASN 63 -11.592 -4.269 -0.285
513 HD22 ASN 63 HD22 ASN 63 -13.156 -4.151 0.377
514 H MET 64 H MET 64 -8.343 -0.630 0.832
515 HA MET 64 HA MET 64 -5.887 -1.648 1.854
516 HB2 MET 64 HB2 MET 64 -6.505 0.802 0.197
517 HB3 MET 64 HB3 MET 64 -4.866 0.278 0.562
518 HG2 MET 64 HG2 MET 64 -5.552 -2.002 -0.375
519 HG3 MET 64 HG3 MET 64 -6.978 -1.192 -1.014
520 HE1 MET 64 HE1 MET 64 -3.369 -1.758 -0.882
521 HE2 MET 64 HE2 MET 64 -3.043 -0.029 -0.758
522 HE3 MET 64 HE3 MET 64 -2.623 -0.892 -2.233
523 H SER 65 H SER 65 -7.775 1.217 2.702
524 HA SER 65 HA SER 65 -5.837 2.632 4.184
525 HB2 SER 65 HB2 SER 65 -8.751 2.277 4.942
526 HB3 SER 65 HB3 SER 65 -7.696 3.598 5.430
527 HG SER 65 HG SER 65 -8.126 2.979 2.710
528 H GLU 66 H GLU 66 -7.840 -0.147 5.143
529 HA GLU 66 HA GLU 66 -6.973 -0.206 7.879
530 HB2 GLU 66 HB2 GLU 66 -7.945 -2.439 6.067
531 HB3 GLU 66 HB3 GLU 66 -7.730 -2.590 7.811
532 HG2 GLU 66 HG2 GLU 66 -9.342 -0.733 8.152
533 HG3 GLU 66 HG3 GLU 66 -9.591 -0.651 6.409
534 H TYR 67 H TYR 67 -5.709 -1.658 4.898
535 HA TYR 67 HA TYR 67 -3.669 -3.235 6.156
536 HB2 TYR 67 HB2 TYR 67 -4.404 -3.520 3.788
537 HB3 TYR 67 HB3 TYR 67 -3.613 -1.996 3.390
538 HD1 TYR 67 HD1 TYR 67 -3.089 -5.506 4.399
539 HD2 TYR 67 HD2 TYR 67 -1.184 -1.786 3.401
540 HE1 TYR 67 HE1 TYR 67 -0.912 -6.675 4.190
541 HE2 TYR 67 HE2 TYR 67 0.992 -2.956 3.192
542 HH TYR 67 HH TYR 67 1.263 -6.456 3.819
543 H LEU 68 H LEU 68 -3.642 0.083 4.841
544 HA LEU 68 HA LEU 68 -0.902 0.628 5.137
545 HB2 LEU 68 HB2 LEU 68 -3.248 2.487 5.599
546 HB3 LEU 68 HB3 LEU 68 -1.583 3.003 5.354
547 HG LEU 68 HG LEU 68 -3.258 1.437 3.371
548 HD11 LEU 68 HD11 LEU 68 -2.316 4.313 3.474
549 HD12 LEU 68 HD12 LEU 68 -3.982 3.734 3.430
550 HD13 LEU 68 HD13 LEU 68 -2.947 3.552 2.013
551 HD21 LEU 68 HD21 LEU 68 -0.365 2.186 3.515
552 HD22 LEU 68 HD22 LEU 68 -1.156 2.251 1.940
553 HD23 LEU 68 HD23 LEU 68 -1.115 0.736 2.844
554 H THR 69 H THR 69 -3.444 0.583 7.600
555 HA THR 69 HA THR 69 -2.042 1.874 9.690
556 HB THR 69 HB THR 69 -3.499 0.647 11.205
557 HG1 THR 69 HG1 THR 69 -3.215 -1.404 10.256
558 HG21 THR 69 HG21 THR 69 -4.435 2.400 9.585
559 HG22 THR 69 HG22 THR 69 -5.603 1.307 10.325
560 HG23 THR 69 HG23 THR 69 -5.076 1.040 8.664
561 H ASN 70 H ASN 70 -1.348 -1.046 8.071
562 HA ASN 70 HA ASN 70 0.986 -1.498 9.781
563 HB2 ASN 70 HB2 ASN 70 -1.023 -2.735 10.844
564 HB3 ASN 70 HB3 ASN 70 -0.927 -3.811 9.450
565 HD21 ASN 70 HD21 ASN 70 0.436 -5.577 9.741
566 HD22 ASN 70 HD22 ASN 70 1.743 -5.634 10.832
567 H HIS 71 H HIS 71 1.652 -4.053 8.840
568 HA HIS 71 HA HIS 71 1.662 -3.668 5.869
569 HB2 HIS 71 HB2 HIS 71 3.882 -3.734 7.687
570 HB3 HIS 71 HB3 HIS 71 3.948 -5.157 6.648
571 HD1 HIS 71 HD1 HIS 71 4.148 -1.426 6.578
572 HD2 HIS 71 HD2 HIS 71 4.264 -4.584 3.847
573 HE1 HIS 71 HE1 HIS 71 4.940 -0.448 4.380
574 H ALA 72 H ALA 72 0.653 -5.606 8.367
575 HA ALA 72 HA ALA 72 -0.076 -7.762 6.603
576 HB1 ALA 72 HB1 ALA 72 1.343 -9.523 7.564
577 HB2 ALA 72 HB2 ALA 72 2.138 -8.336 8.593
578 HB3 ALA 72 HB3 ALA 72 2.342 -8.260 6.843
579 H LYS 73 H LYS 73 -0.610 -5.948 9.215
580 HA LYS 73 HA LYS 73 -1.392 -7.750 11.278
581 HB2 LYS 73 HB2 LYS 73 -1.269 -5.249 11.506
582 HB3 LYS 73 HB3 LYS 73 -2.746 -5.134 10.548
583 HG2 LYS 73 HG2 LYS 73 -3.917 -6.550 12.218
584 HG3 LYS 73 HG3 LYS 73 -2.446 -6.588 13.192
585 HD2 LYS 73 HD2 LYS 73 -2.517 -4.079 13.283
586 HD3 LYS 73 HD3 LYS 73 -4.082 -4.140 12.471
587 HE2 LYS 73 HE2 LYS 73 -3.520 -5.637 15.038
588 HE3 LYS 73 HE3 LYS 73 -4.169 -3.997 15.015
589 HZ1 LYS 73 HZ1 LYS 73 -5.663 -6.220 14.918
590 HZ2 LYS 73 HZ2 LYS 73 -5.516 -5.860 13.264
591 HZ3 LYS 73 HZ3 LYS 73 -6.163 -4.708 14.332
592 H TYR 74 H TYR 74 -3.236 -6.392 8.548
593 HA TYR 74 HA TYR 74 -5.620 -7.944 9.127
594 HB2 TYR 74 HB2 TYR 74 -5.369 -5.771 7.692
595 HB3 TYR 74 HB3 TYR 74 -4.903 -6.874 6.398
596 HD1 TYR 74 HD1 TYR 74 -6.509 -8.496 5.478
597 HD2 TYR 74 HD2 TYR 74 -7.627 -5.767 8.599
598 HE1 TYR 74 HE1 TYR 74 -8.900 -9.000 5.062
599 HE2 TYR 74 HE2 TYR 74 -10.018 -6.270 8.183
600 HH TYR 74 HH TYR 74 -10.992 -8.748 5.835
601 H ILE 75 H ILE 75 -2.694 -8.367 7.258
602 HA ILE 75 HA ILE 75 -3.561 -11.148 6.583
603 HB ILE 75 HB ILE 75 -1.515 -9.806 4.874
604 HG12 ILE 75 HG12 ILE 75 -4.473 -9.157 4.717
605 HG13 ILE 75 HG13 ILE 75 -3.192 -8.021 5.147
606 HG21 ILE 75 HG21 ILE 75 -2.687 -12.196 4.750
607 HG22 ILE 75 HG22 ILE 75 -2.254 -11.311 3.288
608 HG23 ILE 75 HG23 ILE 75 -3.915 -11.279 3.879
609 HD11 ILE 75 HD11 ILE 75 -2.430 -9.279 2.707
610 HD12 ILE 75 HD12 ILE 75 -2.857 -7.589 2.970
611 HD13 ILE 75 HD13 ILE 75 -4.106 -8.755 2.533
612 HA PRO 76 HA PRO 76 0.123 -11.125 9.472
613 HB2 PRO 76 HB2 PRO 76 -1.010 -13.854 9.881
614 HB3 PRO 76 HB3 PRO 76 -0.450 -12.673 11.081
615 HG2 PRO 76 HG2 PRO 76 -3.050 -13.143 10.653
616 HG3 PRO 76 HG3 PRO 76 -2.437 -11.542 11.096
617 HD2 PRO 76 HD2 PRO 76 -3.439 -12.505 8.462
618 HD3 PRO 76 HD3 PRO 76 -3.444 -10.863 9.142
619 H GLY 77 H GLY 77 -1.017 -13.501 7.110
620 HA2 GLY 77 HA2 GLY 77 1.356 -15.051 6.901
621 HA3 GLY 77 HA3 GLY 77 0.199 -14.812 5.588
622 H THR 78 H THR 78 0.580 -11.832 5.865
623 HA THR 78 HA THR 78 2.742 -11.614 3.940
624 HB THR 78 HB THR 78 1.152 -9.429 5.305
625 HG1 THR 78 HG1 THR 78 0.485 -9.795 2.786
626 HG21 THR 78 HG21 THR 78 3.424 -9.364 3.584
627 HG22 THR 78 HG22 THR 78 2.473 -8.005 4.181
628 HG23 THR 78 HG23 THR 78 2.032 -8.792 2.665
629 H LYS 79 H LYS 79 4.745 -10.641 4.218
630 HA LYS 79 HA LYS 79 5.936 -10.831 6.849
631 HB2 LYS 79 HB2 LYS 79 7.061 -9.474 4.387
632 HB3 LYS 79 HB3 LYS 79 7.970 -10.126 5.747
633 HG2 LYS 79 HG2 LYS 79 7.171 -12.397 5.188
634 HG3 LYS 79 HG3 LYS 79 6.278 -11.742 3.815
635 HD2 LYS 79 HD2 LYS 79 8.493 -10.800 2.979
636 HD3 LYS 79 HD3 LYS 79 9.278 -11.783 4.217
637 HE2 LYS 79 HE2 LYS 79 7.460 -13.502 2.913
638 HE3 LYS 79 HE3 LYS 79 8.263 -12.593 1.630
639 HZ1 LYS 79 HZ1 LYS 79 10.356 -13.141 3.100
640 HZ2 LYS 79 HZ2 LYS 79 9.772 -14.242 1.945
641 HZ3 LYS 79 HZ3 LYS 79 9.396 -14.450 3.588
642 H MET 80 H MET 80 7.134 -8.950 7.847
643 HA MET 80 HA MET 80 5.712 -6.358 7.386
644 HB2 MET 80 HB2 MET 80 6.527 -7.612 10.022
645 HB3 MET 80 HB3 MET 80 5.946 -5.955 9.851
646 HG2 MET 80 HG2 MET 80 3.853 -6.852 8.812
647 HG3 MET 80 HG3 MET 80 4.425 -8.484 9.158
648 HE1 MET 80 HE1 MET 80 4.604 -8.831 12.847
649 HE2 MET 80 HE2 MET 80 5.905 -7.821 12.222
650 HE3 MET 80 HE3 MET 80 5.320 -9.181 11.268
651 H ALA 81 H ALA 81 7.019 -4.444 7.807
652 HA ALA 81 HA ALA 81 9.734 -4.550 8.678
653 HB1 ALA 81 HB1 ALA 81 10.270 -3.939 5.981
654 HB2 ALA 81 HB2 ALA 81 9.288 -5.403 5.952
655 HB3 ALA 81 HB3 ALA 81 10.792 -5.368 6.871
656 H PHE 82 H PHE 82 7.172 -2.828 8.481
657 HA PHE 82 HA PHE 82 8.467 -0.324 7.478
658 HB2 PHE 82 HB2 PHE 82 6.240 -0.914 6.490
659 HB3 PHE 82 HB3 PHE 82 5.534 -0.786 8.102
660 HD1 PHE 82 HD2 PHE 82 7.419 1.105 5.502
661 HD2 PHE 82 HD1 PHE 82 4.994 1.317 9.036
662 HE1 PHE 82 HE2 PHE 82 7.262 3.567 5.243
663 HE2 PHE 82 HE1 PHE 82 4.846 3.779 8.786
664 HZ PHE 82 HZ PHE 82 5.971 4.904 6.889
665 H GLY 83 H GLY 83 8.619 1.475 8.873
666 HA2 GLY 83 HA2 GLY 83 9.071 1.005 11.612
667 HA3 GLY 83 HA3 GLY 83 8.760 2.600 10.929
668 H GLY 84 H GLY 84 6.112 2.321 10.071
669 HA2 GLY 84 HA2 GLY 84 4.128 1.139 11.433
670 HA3 GLY 84 HA3 GLY 84 4.737 2.214 12.691
671 H LEU 85 H LEU 85 2.999 2.052 9.665
672 HA LEU 85 HA LEU 85 2.766 4.950 9.354
673 HB2 LEU 85 HB2 LEU 85 2.547 2.954 7.585
674 HB3 LEU 85 HB3 LEU 85 0.856 3.049 8.067
675 HG LEU 85 HG LEU 85 0.901 5.502 7.576
676 HD11 LEU 85 HD11 LEU 85 3.003 6.365 7.580
677 HD12 LEU 85 HD12 LEU 85 3.007 5.870 5.887
678 HD13 LEU 85 HD13 LEU 85 3.727 4.833 7.112
679 HD21 LEU 85 HD21 LEU 85 0.297 5.079 5.422
680 HD22 LEU 85 HD22 LEU 85 0.618 3.394 5.837
681 HD23 LEU 85 HD23 LEU 85 1.858 4.355 5.035
682 H LYS 86 H LYS 86 1.829 3.427 11.853
683 HA LYS 86 HA LYS 86 -0.965 3.374 12.075
684 HB2 LYS 86 HB2 LYS 86 0.642 2.651 13.852
685 HB3 LYS 86 HB3 LYS 86 0.960 4.351 14.205
686 HG2 LYS 86 HG2 LYS 86 -1.454 4.684 14.684
687 HG3 LYS 86 HG3 LYS 86 -1.730 2.965 14.398
688 HD2 LYS 86 HD2 LYS 86 -0.096 2.443 16.216
689 HD3 LYS 86 HD3 LYS 86 0.040 4.170 16.545
690 HE2 LYS 86 HE2 LYS 86 -2.061 4.301 17.477
691 HE3 LYS 86 HE3 LYS 86 -2.708 3.014 16.459
692 HZ1 LYS 86 HZ1 LYS 86 -1.481 2.856 19.049
693 HZ2 LYS 86 HZ2 LYS 86 -0.821 1.754 17.937
694 HZ3 LYS 86 HZ3 LYS 86 -2.489 1.744 18.259
695 H LYS 87 H LYS 87 1.205 6.144 12.023
696 HA LYS 87 HA LYS 87 -0.583 8.107 13.046
697 HB2 LYS 87 HB2 LYS 87 1.567 8.369 10.920
698 HB3 LYS 87 HB3 LYS 87 0.780 9.727 11.725
699 HG2 LYS 87 HG2 LYS 87 1.562 8.827 13.919
700 HG3 LYS 87 HG3 LYS 87 2.440 7.566 13.054
701 HD2 LYS 87 HD2 LYS 87 3.691 9.342 11.819
702 HD3 LYS 87 HD3 LYS 87 2.881 10.555 12.812
703 HE2 LYS 87 HE2 LYS 87 3.835 8.774 14.697
704 HE3 LYS 87 HE3 LYS 87 5.121 8.786 13.490
705 HZ1 LYS 87 HZ1 LYS 87 5.453 10.520 15.128
706 HZ2 LYS 87 HZ2 LYS 87 3.927 11.180 14.779
707 HZ3 LYS 87 HZ3 LYS 87 5.154 11.201 13.604
708 H GLU 88 H GLU 88 -2.506 8.757 12.241
709 HA GLU 88 HA GLU 88 -3.564 7.801 9.764
710 HB2 GLU 88 HB2 GLU 88 -4.440 10.104 11.511
711 HB3 GLU 88 HB3 GLU 88 -5.388 9.450 10.179
712 HG2 GLU 88 HG2 GLU 88 -5.365 7.225 11.288
713 HG3 GLU 88 HG3 GLU 88 -4.487 7.932 12.645
714 H LYS 89 H LYS 89 -1.787 10.708 10.609
715 HA LYS 89 HA LYS 89 -2.424 12.355 8.411
716 HB2 LYS 89 HB2 LYS 89 -0.961 12.956 10.378
717 HB3 LYS 89 HB3 LYS 89 0.335 12.041 9.614
718 HG2 LYS 89 HG2 LYS 89 0.140 13.478 7.599
719 HG3 LYS 89 HG3 LYS 89 -1.103 14.427 8.417
720 HD2 LYS 89 HD2 LYS 89 0.547 14.918 10.238
721 HD3 LYS 89 HD3 LYS 89 1.781 14.092 9.287
722 HE2 LYS 89 HE2 LYS 89 0.423 15.969 7.595
723 HE3 LYS 89 HE3 LYS 89 0.936 16.800 9.063
724 HZ1 LYS 89 HZ1 LYS 89 3.139 15.555 8.655
725 HZ2 LYS 89 HZ2 LYS 89 2.791 16.937 7.728
726 HZ3 LYS 89 HZ3 LYS 89 2.574 15.387 7.064
727 H ASP 90 H ASP 90 0.230 9.980 8.663
728 HA ASP 90 HA ASP 90 1.082 10.275 5.942
729 HB2 ASP 90 HB2 ASP 90 1.353 7.922 7.839
730 HB3 ASP 90 HB3 ASP 90 2.218 8.094 6.313
731 H ARG 91 H ARG 91 -1.033 7.853 7.504
732 HA ARG 91 HA ARG 91 -1.610 6.357 5.164
733 HB2 ARG 91 HB2 ARG 91 -2.197 5.578 7.420
734 HB3 ARG 91 HB3 ARG 91 -3.385 6.875 7.564
735 HG2 ARG 91 HG2 ARG 91 -4.669 5.973 5.705
736 HG3 ARG 91 HG3 ARG 91 -3.443 4.739 5.417
737 HD2 ARG 91 HD2 ARG 91 -5.229 3.709 6.674
738 HD3 ARG 91 HD3 ARG 91 -3.856 3.902 7.764
739 HE ARG 91 HE ARG 91 -5.245 6.190 8.247
740 HH11 ARG 91 HH21 ARG 91 -6.174 2.886 7.918
741 HH12 ARG 91 HH22 ARG 91 -7.518 3.018 9.002
742 HH21 ARG 91 HH11 ARG 91 -6.996 6.381 9.666
743 HH22 ARG 91 HH12 ARG 91 -7.983 4.997 9.992
744 H ASN 92 H ASN 92 -3.347 9.162 6.538
745 HA ASN 92 HA ASN 92 -5.413 9.188 4.566
746 HB2 ASN 92 HB2 ASN 92 -4.252 11.400 6.272
747 HB3 ASN 92 HB3 ASN 92 -5.683 11.591 5.267
748 HD21 ASN 92 HD21 ASN 92 -6.224 11.989 7.877
749 HD22 ASN 92 HD22 ASN 92 -6.977 10.643 8.586
750 H ASP 93 H ASP 93 -2.301 10.908 4.723
751 HA ASP 93 HA ASP 93 -2.672 12.332 2.256
752 HB2 ASP 93 HB2 ASP 93 -0.141 11.530 3.720
753 HB3 ASP 93 HB3 ASP 93 -0.195 12.653 2.362
754 H LEU 94 H LEU 94 -1.148 9.225 3.038
755 HA LEU 94 HA LEU 94 -0.013 8.622 0.532
756 HB2 LEU 94 HB2 LEU 94 -0.853 7.133 2.898
757 HB3 LEU 94 HB3 LEU 94 -1.034 6.197 1.415
758 HG LEU 94 HG LEU 94 1.491 7.725 2.025
759 HD11 LEU 94 HD11 LEU 94 1.458 6.275 3.858
760 HD12 LEU 94 HD12 LEU 94 2.268 5.287 2.641
761 HD13 LEU 94 HD13 LEU 94 0.555 5.037 2.985
762 HD21 LEU 94 HD21 LEU 94 1.542 5.198 0.521
763 HD22 LEU 94 HD22 LEU 94 2.272 6.753 0.126
764 HD23 LEU 94 HD23 LEU 94 0.573 6.456 -0.245
765 H ILE 95 H ILE 95 -3.150 7.407 1.690
766 HA ILE 95 HA ILE 95 -4.037 6.361 -0.732
767 HB ILE 95 HB ILE 95 -5.703 7.668 1.427
768 HG12 ILE 95 HG12 ILE 95 -4.566 4.873 1.084
769 HG13 ILE 95 HG13 ILE 95 -4.181 6.023 2.363
770 HG21 ILE 95 HG21 ILE 95 -6.376 5.469 -0.542
771 HG22 ILE 95 HG22 ILE 95 -6.875 7.150 -0.725
772 HG23 ILE 95 HG23 ILE 95 -7.466 6.198 0.635
773 HD11 ILE 95 HD11 ILE 95 -6.427 4.176 2.179
774 HD12 ILE 95 HD12 ILE 95 -6.964 5.833 2.452
775 HD13 ILE 95 HD13 ILE 95 -5.832 5.078 3.573
776 H THR 96 H THR 96 -4.165 9.704 0.409
777 HA THR 96 HA THR 96 -5.905 10.752 -1.555
778 HB THR 96 HB THR 96 -3.427 12.126 -0.479
779 HG1 THR 96 HG1 THR 96 -4.346 11.897 1.382
780 HG21 THR 96 HG21 THR 96 -4.776 13.194 -2.325
781 HG22 THR 96 HG22 THR 96 -4.676 14.143 -0.843
782 HG23 THR 96 HG23 THR 96 -6.140 13.232 -1.211
783 H TYR 97 H TYR 97 -2.423 10.055 -1.653
784 HA TYR 97 HA TYR 97 -2.171 11.022 -4.402
785 HB2 TYR 97 HB2 TYR 97 -0.246 11.246 -2.956
786 HB3 TYR 97 HB3 TYR 97 -0.274 9.522 -2.582
787 HD1 TYR 97 HD1 TYR 97 0.345 12.019 -5.261
788 HD2 TYR 97 HD2 TYR 97 0.608 7.896 -4.094
789 HE1 TYR 97 HE1 TYR 97 1.756 11.546 -7.247
790 HE2 TYR 97 HE2 TYR 97 2.016 7.421 -6.074
791 HH TYR 97 HH TYR 97 2.517 9.807 -8.586
792 H LEU 98 H LEU 98 -2.058 7.833 -2.793
793 HA LEU 98 HA LEU 98 -1.672 6.254 -5.101
794 HB2 LEU 98 HB2 LEU 98 -3.423 5.551 -2.732
795 HB3 LEU 98 HB3 LEU 98 -2.658 4.416 -3.834
796 HG LEU 98 HG LEU 98 -1.104 6.386 -2.129
797 HD11 LEU 98 HD11 LEU 98 -2.268 4.842 -0.649
798 HD12 LEU 98 HD12 LEU 98 -0.570 4.371 -0.736
799 HD13 LEU 98 HD13 LEU 98 -1.783 3.469 -1.643
800 HD21 LEU 98 HD21 LEU 98 0.395 4.099 -2.771
801 HD22 LEU 98 HD22 LEU 98 0.588 5.713 -3.450
802 HD23 LEU 98 HD23 LEU 98 -0.439 4.534 -4.261
803 H LYS 99 H LYS 99 -4.718 7.385 -3.639
804 HA LYS 99 HA LYS 99 -6.457 6.164 -5.541
805 HB2 LYS 99 HB2 LYS 99 -7.197 7.163 -3.378
806 HB3 LYS 99 HB3 LYS 99 -6.892 8.759 -4.056
807 HG2 LYS 99 HG2 LYS 99 -8.507 8.279 -5.878
808 HG3 LYS 99 HG3 LYS 99 -8.844 6.713 -5.142
809 HD2 LYS 99 HD2 LYS 99 -9.534 7.904 -3.048
810 HD3 LYS 99 HD3 LYS 99 -9.334 9.435 -3.903
811 HE2 LYS 99 HE2 LYS 99 -11.591 9.059 -4.271
812 HE3 LYS 99 HE3 LYS 99 -10.909 8.259 -5.686
813 HZ1 LYS 99 HZ1 LYS 99 -11.550 6.273 -4.954
814 HZ2 LYS 99 HZ2 LYS 99 -12.551 7.108 -3.864
815 HZ3 LYS 99 HZ3 LYS 99 -11.017 6.569 -3.370
816 H LYS 100 H LYS 100 -4.813 9.302 -5.529
817 HA LYS 100 HA LYS 100 -6.045 10.414 -7.840
818 HB2 LYS 100 HB2 LYS 100 -4.462 11.572 -6.223
819 HB3 LYS 100 HB3 LYS 100 -3.142 10.758 -7.055
820 HG2 LYS 100 HG2 LYS 100 -3.881 11.776 -9.195
821 HG3 LYS 100 HG3 LYS 100 -5.151 12.640 -8.327
822 HD2 LYS 100 HD2 LYS 100 -3.377 13.691 -6.896
823 HD3 LYS 100 HD3 LYS 100 -2.160 12.933 -7.925
824 HE2 LYS 100 HE2 LYS 100 -4.128 14.283 -9.553
825 HE3 LYS 100 HE3 LYS 100 -3.460 15.399 -8.363
826 HZ1 LYS 100 HZ1 LYS 100 -1.802 15.578 -9.835
827 HZ2 LYS 100 HZ2 LYS 100 -2.182 14.120 -10.618
828 HZ3 LYS 100 HZ3 LYS 100 -1.266 14.106 -9.188
829 H ALA 101 H ALA 101 -3.197 8.350 -7.486
830 HA ALA 101 HA ALA 101 -2.562 8.270 -10.302
831 HB1 ALA 101 HB1 ALA 101 -1.647 5.876 -9.130
832 HB2 ALA 101 HB2 ALA 101 -1.552 7.089 -7.854
833 HB3 ALA 101 HB3 ALA 101 -0.716 7.352 -9.383
834 H THR 102 H THR 102 -4.221 5.987 -8.120
835 HA THR 102 HA THR 102 -4.961 4.124 -10.166
836 HB THR 102 HB THR 102 -6.454 4.747 -7.596
837 HG1 THR 102 HG1 THR 102 -4.740 2.597 -7.745
838 HG21 THR 102 HG21 THR 102 -6.959 2.950 -9.742
839 HG22 THR 102 HG22 THR 102 -7.809 3.062 -8.200
840 HG23 THR 102 HG23 THR 102 -6.421 1.987 -8.366
841 H GLU 103 H GLU 103 -6.327 7.147 -9.024
842 HA GLU 103 HA GLU 103 -8.777 6.804 -10.622
843 HB2 GLU 103 HB2 GLU 103 -8.785 8.011 -8.427
844 HB3 GLU 103 HB3 GLU 103 -7.771 9.258 -9.154
845 HG2 GLU 103 HG2 GLU 103 -9.528 9.632 -10.883
846 HG3 GLU 103 HG3 GLU 103 -10.554 8.460 -10.055
847 HHA HEC 104 HA HEC 104 2.978 -6.197 0.877
848 HHB HEC 104 HB HEC 104 1.509 -0.026 0.817
849 HHC HEC 104 HC HEC 104 7.483 1.385 2.367
850 HHD HEC 104 HD HEC 104 8.954 -4.749 2.271
851 HMA1 HEC 104 1HMA HEC 104 -0.113 -1.762 -0.862
852 HMA2 HEC 104 2HMA HEC 104 -0.409 -1.207 0.787
853 HMA3 HEC 104 3HMA HEC 104 -0.981 -2.792 0.277
854 HAA1 HEC 104 1HAA HEC 104 0.824 -6.006 0.986
855 HAA2 HEC 104 2HAA HEC 104 -0.455 -4.839 1.229
856 HBA1 HEC 104 1HBA HEC 104 0.724 -5.405 -1.495
857 HBA2 HEC 104 2HBA HEC 104 -0.769 -4.550 -1.124
858 HMB1 HEC 104 1HMB HEC 104 1.777 2.231 0.618
859 HMB2 HEC 104 2HMB HEC 104 1.914 2.341 2.374
860 HMB3 HEC 104 3HMB HEC 104 2.791 3.476 1.347
861 HAB HEC 104 HAB HEC 104 6.514 3.203 1.869
862 HBB1 HEC 104 1HBB HEC 104 4.004 3.575 3.277
863 HBB2 HEC 104 2HBB HEC 104 4.527 5.040 2.444
864 HBB3 HEC 104 3HBB HEC 104 5.592 4.262 3.613
865 HMC1 HEC 104 1HMC HEC 104 10.830 -0.046 3.355
866 HMC2 HEC 104 2HMC HEC 104 9.942 1.112 2.365
867 HMC3 HEC 104 3HMC HEC 104 9.388 0.736 3.999
868 HAC HEC 104 HAC HEC 104 10.753 -3.578 2.030
869 HBC1 HEC 104 1HBC HEC 104 11.729 -3.594 4.060
870 HBC2 HEC 104 2HBC HEC 104 12.323 -1.961 3.756
871 HBC3 HEC 104 3HBC HEC 104 10.767 -2.200 4.551
872 HMD1 HEC 104 1HMD HEC 104 8.572 -7.483 1.435
873 HMD2 HEC 104 2HMD HEC 104 7.446 -8.144 2.612
874 HMD3 HEC 104 3HMD HEC 104 8.450 -6.781 3.046
875 HAD1 HEC 104 1HAD HEC 104 4.402 -7.824 0.122
876 HAD2 HEC 104 2HAD HEC 104 4.337 -8.313 1.798
877 HBD1 HEC 104 1HBD HEC 104 6.223 -9.617 1.628
878 HBD2 HEC 104 2HBD HEC 104 6.941 -8.608 0.370
Start of MODEL 9
1 H1 THR -5 H1 THR -5 -15.627 5.575 -2.796
2 H2 THR -5 H2 THR -5 -16.871 6.519 -2.125
3 H3 THR -5 H3 THR -5 -17.062 4.837 -2.274
4 HA THR -5 HA THR -5 -16.571 5.132 -0.032
5 HB THR -5 HB THR -5 -14.111 4.369 0.103
6 HG1 THR -5 HG1 THR -5 -13.246 5.131 -1.730
7 HG21 THR -5 HG21 THR -5 -16.176 2.952 -1.594
8 HG22 THR -5 HG22 THR -5 -15.866 2.733 0.128
9 HG23 THR -5 HG23 THR -5 -14.679 2.186 -1.058
10 H GLU -4 H GLU -4 -16.216 6.747 1.409
11 HA GLU -4 HA GLU -4 -14.462 9.007 0.568
12 HB2 GLU -4 HB2 GLU -4 -16.831 9.506 1.213
13 HB3 GLU -4 HB3 GLU -4 -16.478 8.895 2.830
14 HG2 GLU -4 HG2 GLU -4 -14.658 10.588 3.036
15 HG3 GLU -4 HG3 GLU -4 -15.125 11.239 1.464
16 H PHE -3 H PHE -3 -12.643 9.516 1.758
17 HA PHE -3 HA PHE -3 -12.227 8.130 4.347
18 HB2 PHE -3 HB2 PHE -3 -10.004 7.390 3.712
19 HB3 PHE -3 HB3 PHE -3 -11.155 6.781 2.524
20 HD1 PHE -3 HD2 PHE -3 -11.485 8.120 0.360
21 HD2 PHE -3 HD1 PHE -3 -8.211 8.775 3.062
22 HE1 PHE -3 HE2 PHE -3 -10.231 9.279 -1.440
23 HE2 PHE -3 HE1 PHE -3 -6.959 9.938 1.264
24 HZ PHE -3 HZ PHE -3 -7.968 10.187 -0.987
25 H LYS -2 H LYS -2 -10.309 9.120 5.530
26 HA LYS -2 HA LYS -2 -10.562 11.994 5.509
27 HB2 LYS -2 HB2 LYS -2 -8.426 10.309 6.847
28 HB3 LYS -2 HB3 LYS -2 -8.881 11.959 7.272
29 HG2 LYS -2 HG2 LYS -2 -10.769 9.589 7.389
30 HG3 LYS -2 HG3 LYS -2 -9.893 10.227 8.781
31 HD2 LYS -2 HD2 LYS -2 -10.962 12.495 8.198
32 HD3 LYS -2 HD3 LYS -2 -12.046 11.580 7.149
33 HE2 LYS -2 HE2 LYS -2 -11.722 11.328 10.143
34 HE3 LYS -2 HE3 LYS -2 -13.176 11.753 9.242
35 HZ1 LYS -2 HZ1 LYS -2 -11.825 9.160 8.829
36 HZ2 LYS -2 HZ2 LYS -2 -13.428 9.592 8.471
37 HZ3 LYS -2 HZ3 LYS -2 -12.945 9.372 10.085
38 H ALA -1 H ALA -1 -9.185 13.547 4.660
39 HA ALA -1 HA ALA -1 -6.767 12.589 3.210
40 HB1 ALA -1 HB1 ALA -1 -8.324 14.790 1.966
41 HB2 ALA -1 HB2 ALA -1 -9.018 13.174 1.849
42 HB3 ALA -1 HB3 ALA -1 -7.408 13.491 1.205
43 H GLY 1 H GLY 1 -6.303 15.285 2.145
44 HA2 GLY 1 HA2 GLY 1 -6.333 17.390 3.945
45 HA3 GLY 1 HA3 GLY 1 -4.965 16.409 4.468
46 H SER 2 H SER 2 -3.298 15.934 2.787
47 HA SER 2 HA SER 2 -3.241 17.933 0.595
48 HB2 SER 2 HB2 SER 2 -1.362 17.640 2.867
49 HB3 SER 2 HB3 SER 2 -0.628 17.881 1.287
50 HG SER 2 HG SER 2 -1.392 19.773 2.708
51 H ALA 3 H ALA 3 -3.461 16.433 -1.057
52 HA ALA 3 HA ALA 3 -2.253 13.839 -1.078
53 HB1 ALA 3 HB1 ALA 3 -4.150 14.889 -2.579
54 HB2 ALA 3 HB2 ALA 3 -3.097 13.637 -3.239
55 HB3 ALA 3 HB3 ALA 3 -2.799 15.333 -3.621
56 H LYS 4 H LYS 4 -1.092 17.010 -2.053
57 HA LYS 4 HA LYS 4 1.108 16.203 -3.656
58 HB2 LYS 4 HB2 LYS 4 2.081 18.405 -3.071
59 HB3 LYS 4 HB3 LYS 4 0.371 18.542 -3.484
60 HG2 LYS 4 HG2 LYS 4 0.102 18.133 -0.856
61 HG3 LYS 4 HG3 LYS 4 1.712 18.850 -0.838
62 HD2 LYS 4 HD2 LYS 4 0.467 20.784 -0.736
63 HD3 LYS 4 HD3 LYS 4 0.523 20.594 -2.488
64 HE2 LYS 4 HE2 LYS 4 -1.645 19.471 -2.475
65 HE3 LYS 4 HE3 LYS 4 -1.695 19.527 -0.713
66 HZ1 LYS 4 HZ1 LYS 4 -1.562 21.985 -0.904
67 HZ2 LYS 4 HZ2 LYS 4 -2.987 21.322 -1.550
68 HZ3 LYS 4 HZ3 LYS 4 -1.739 21.831 -2.584
69 H LYS 5 H LYS 5 1.007 16.850 -0.124
70 HA LYS 5 HA LYS 5 3.727 16.125 0.349
71 HB2 LYS 5 HB2 LYS 5 1.320 16.027 2.175
72 HB3 LYS 5 HB3 LYS 5 2.984 15.841 2.713
73 HG2 LYS 5 HG2 LYS 5 3.499 18.086 1.729
74 HG3 LYS 5 HG3 LYS 5 1.785 18.272 1.364
75 HD2 LYS 5 HD2 LYS 5 1.272 17.957 3.787
76 HD3 LYS 5 HD3 LYS 5 3.004 17.909 4.115
77 HE2 LYS 5 HE2 LYS 5 1.473 20.223 2.890
78 HE3 LYS 5 HE3 LYS 5 2.170 20.171 4.509
79 HZ1 LYS 5 HZ1 LYS 5 3.882 21.159 3.456
80 HZ2 LYS 5 HZ2 LYS 5 3.474 20.528 1.934
81 HZ3 LYS 5 HZ3 LYS 5 4.301 19.564 3.062
82 H GLY 6 H GLY 6 0.720 14.249 0.395
83 HA2 GLY 6 HA2 GLY 6 1.834 11.806 1.355
84 HA3 GLY 6 HA3 GLY 6 0.367 11.932 0.386
85 H ALA 7 H ALA 7 1.629 13.174 -1.903
86 HA ALA 7 HA ALA 7 2.433 10.842 -3.331
87 HB1 ALA 7 HB1 ALA 7 3.270 13.609 -4.169
88 HB2 ALA 7 HB2 ALA 7 1.570 13.142 -4.213
89 HB3 ALA 7 HB3 ALA 7 2.752 12.258 -5.177
90 H THR 8 H THR 8 4.337 13.434 -1.816
91 HA THR 8 HA THR 8 6.873 12.362 -2.715
92 HB THR 8 HB THR 8 7.860 14.008 -1.249
93 HG1 THR 8 HG1 THR 8 6.907 14.558 0.525
94 HG21 THR 8 HG21 THR 8 6.757 14.837 -3.310
95 HG22 THR 8 HG22 THR 8 6.723 16.034 -2.015
96 HG23 THR 8 HG23 THR 8 5.276 15.098 -2.389
97 H LEU 9 H LEU 9 4.853 11.937 0.150
98 HA LEU 9 HA LEU 9 6.726 10.691 1.861
99 HB2 LEU 9 HB2 LEU 9 4.377 11.319 2.482
100 HB3 LEU 9 HB3 LEU 9 3.804 9.954 1.526
101 HG LEU 9 HG LEU 9 5.255 8.452 2.939
102 HD11 LEU 9 HD11 LEU 9 6.808 9.494 4.205
103 HD12 LEU 9 HD12 LEU 9 5.488 9.963 5.275
104 HD13 LEU 9 HD13 LEU 9 6.026 11.060 4.003
105 HD21 LEU 9 HD21 LEU 9 3.314 8.095 4.024
106 HD22 LEU 9 HD22 LEU 9 2.753 9.696 3.538
107 HD23 LEU 9 HD23 LEU 9 3.630 9.492 5.053
108 H PHE 10 H PHE 10 4.670 9.293 -0.676
109 HA PHE 10 HA PHE 10 5.499 6.585 -0.331
110 HB2 PHE 10 HB2 PHE 10 3.542 7.210 -1.694
111 HB3 PHE 10 HB3 PHE 10 4.599 8.025 -2.847
112 HD1 PHE 10 HD1 PHE 10 6.401 6.635 -4.035
113 HD2 PHE 10 HD2 PHE 10 3.131 4.881 -1.865
114 HE1 PHE 10 HE1 PHE 10 6.744 4.501 -5.243
115 HE2 PHE 10 HE2 PHE 10 3.478 2.743 -3.076
116 HZ PHE 10 HZ PHE 10 5.285 2.554 -4.773
117 H LYS 11 H LYS 11 6.725 9.185 -2.412
118 HA LYS 11 HA LYS 11 8.734 7.669 -3.710
119 HB2 LYS 11 HB2 LYS 11 8.657 10.624 -3.057
120 HB3 LYS 11 HB3 LYS 11 9.764 9.872 -4.203
121 HG2 LYS 11 HG2 LYS 11 7.784 9.018 -5.478
122 HG3 LYS 11 HG3 LYS 11 6.743 9.935 -4.387
123 HD2 LYS 11 HD2 LYS 11 7.961 12.015 -5.035
124 HD3 LYS 11 HD3 LYS 11 8.884 11.073 -6.206
125 HE2 LYS 11 HE2 LYS 11 7.101 11.993 -7.469
126 HE3 LYS 11 HE3 LYS 11 6.600 10.334 -7.145
127 HZ1 LYS 11 HZ1 LYS 11 4.762 11.243 -6.315
128 HZ2 LYS 11 HZ2 LYS 11 5.441 12.800 -6.252
129 HZ3 LYS 11 HZ3 LYS 11 5.705 11.702 -4.981
130 H THR 12 H THR 12 8.742 9.350 -0.607
131 HA THR 12 HA THR 12 11.624 8.891 -0.269
132 HB THR 12 HB THR 12 11.349 10.130 1.806
133 HG1 THR 12 HG1 THR 12 8.584 10.088 1.199
134 HG21 THR 12 HG21 THR 12 10.661 11.085 -0.787
135 HG22 THR 12 HG22 THR 12 11.368 11.991 0.551
136 HG23 THR 12 HG23 THR 12 9.615 11.896 0.379
137 H ARG 13 H ARG 13 8.988 6.875 0.125
138 HA ARG 13 HA ARG 13 10.480 5.367 2.225
139 HB2 ARG 13 HB2 ARG 13 7.517 5.967 2.258
140 HB3 ARG 13 HB3 ARG 13 8.306 4.800 3.320
141 HG2 ARG 13 HG2 ARG 13 9.810 6.631 4.131
142 HG3 ARG 13 HG3 ARG 13 8.876 7.774 3.164
143 HD2 ARG 13 HD2 ARG 13 6.816 7.035 4.405
144 HD3 ARG 13 HD3 ARG 13 7.856 6.073 5.456
145 HE ARG 13 HE ARG 13 8.773 8.804 5.360
146 HH11 ARG 13 HH21 ARG 13 6.337 6.703 6.602
147 HH12 ARG 13 HH22 ARG 13 6.033 7.668 8.008
148 HH21 ARG 13 HH11 ARG 13 8.389 10.077 7.188
149 HH22 ARG 13 HH12 ARG 13 7.194 9.578 8.339
150 H CYS 14 H CYS 14 7.438 4.916 0.363
151 HA CYS 14 HA CYS 14 7.828 2.088 0.164
152 HB2 CYS 14 HB2 CYS 14 6.249 3.470 -1.934
153 HB3 CYS 14 HB3 CYS 14 5.851 2.036 -0.997
154 H LEU 15 H LEU 15 8.969 4.720 -1.852
155 HA LEU 15 HA LEU 15 9.499 3.328 -4.243
156 HB2 LEU 15 HB2 LEU 15 9.836 5.755 -3.960
157 HB3 LEU 15 HB3 LEU 15 11.237 5.441 -2.941
158 HG LEU 15 HG LEU 15 12.268 4.188 -4.863
159 HD11 LEU 15 HD11 LEU 15 9.689 5.068 -6.127
160 HD12 LEU 15 HD12 LEU 15 10.534 3.526 -6.272
161 HD13 LEU 15 HD13 LEU 15 11.138 4.947 -7.125
162 HD21 LEU 15 HD21 LEU 15 11.685 7.082 -4.754
163 HD22 LEU 15 HD22 LEU 15 12.226 6.502 -6.328
164 HD23 LEU 15 HD23 LEU 15 13.233 6.250 -4.903
165 H GLN 16 H GLN 16 11.317 3.335 -1.206
166 HA GLN 16 HA GLN 16 13.682 2.078 -2.118
167 HB2 GLN 16 HB2 GLN 16 12.262 1.811 0.546
168 HB3 GLN 16 HB3 GLN 16 13.911 1.269 0.234
169 HG2 GLN 16 HG2 GLN 16 14.577 3.557 -0.353
170 HG3 GLN 16 HG3 GLN 16 12.923 4.116 -0.100
171 HE21 GLN 16 HE21 GLN 16 15.064 5.205 1.437
172 HE22 GLN 16 HE22 GLN 16 14.885 4.703 3.049
173 H CYS 17 H CYS 17 10.566 0.622 -1.170
174 HA CYS 17 HA CYS 17 11.665 -2.024 -2.028
175 HB2 CYS 17 HB2 CYS 17 9.309 -1.390 -0.244
176 HB3 CYS 17 HB3 CYS 17 9.817 -3.012 -0.703
177 H HIS 18 H HIS 18 8.741 0.010 -2.241
178 HA HIS 18 HA HIS 18 7.764 -1.707 -4.456
179 HB2 HIS 18 HB2 HIS 18 6.490 0.703 -3.135
180 HB3 HIS 18 HB3 HIS 18 5.730 -0.312 -4.355
181 HD1 HIS 18 HD1 HIS 18 5.396 -2.917 -3.625
182 HD2 HIS 18 HD2 HIS 18 6.198 -0.207 -0.562
183 HE1 HIS 18 HE1 HIS 18 4.623 -4.018 -1.467
184 H THR 19 H THR 19 7.249 -0.833 -6.507
185 HA THR 19 HA THR 19 8.528 1.795 -7.140
186 HB THR 19 HB THR 19 8.390 -0.574 -9.000
187 HG1 THR 19 HG1 THR 19 9.926 -1.302 -7.764
188 HG21 THR 19 HG21 THR 19 8.699 2.012 -9.639
189 HG22 THR 19 HG22 THR 19 9.524 0.723 -10.513
190 HG23 THR 19 HG23 THR 19 10.377 1.621 -9.257
191 H VAL 20 H VAL 20 7.099 3.198 -8.111
192 HA VAL 20 HA VAL 20 4.362 2.314 -8.564
193 HB VAL 20 HB VAL 20 3.944 4.644 -9.202
194 HG11 VAL 20 HG11 VAL 20 5.657 5.390 -7.047
195 HG12 VAL 20 HG12 VAL 20 5.085 3.750 -6.745
196 HG13 VAL 20 HG13 VAL 20 3.925 5.053 -6.994
197 HG21 VAL 20 HG21 VAL 20 6.891 4.586 -9.550
198 HG22 VAL 20 HG22 VAL 20 6.231 6.058 -8.833
199 HG23 VAL 20 HG23 VAL 20 5.675 5.524 -10.420
200 H GLU 21 H GLU 21 7.205 2.451 -10.469
201 HA GLU 21 HA GLU 21 5.906 2.792 -13.047
202 HB2 GLU 21 HB2 GLU 21 8.329 3.289 -12.629
203 HB3 GLU 21 HB3 GLU 21 8.607 1.558 -12.436
204 HG2 GLU 21 HG2 GLU 21 7.697 1.191 -14.730
205 HG3 GLU 21 HG3 GLU 21 7.546 2.939 -14.917
206 H LYS 22 H LYS 22 5.257 1.174 -14.482
207 HA LYS 22 HA LYS 22 4.417 -1.333 -13.365
208 HB2 LYS 22 HB2 LYS 22 3.367 -0.161 -15.341
209 HB3 LYS 22 HB3 LYS 22 4.758 -0.667 -16.301
210 HG2 LYS 22 HG2 LYS 22 4.263 -3.034 -15.734
211 HG3 LYS 22 HG3 LYS 22 2.835 -2.503 -14.845
212 HD2 LYS 22 HD2 LYS 22 2.009 -1.415 -16.961
213 HD3 LYS 22 HD3 LYS 22 3.359 -2.170 -17.810
214 HE2 LYS 22 HE2 LYS 22 2.542 -4.400 -16.947
215 HE3 LYS 22 HE3 LYS 22 1.105 -3.570 -16.351
216 HZ1 LYS 22 HZ1 LYS 22 1.993 -3.943 -19.140
217 HZ2 LYS 22 HZ2 LYS 22 0.919 -2.694 -18.727
218 HZ3 LYS 22 HZ3 LYS 22 0.492 -4.314 -18.444
219 H GLY 23 H GLY 23 5.432 -3.320 -13.355
220 HA2 GLY 23 HA2 GLY 23 7.060 -4.961 -13.860
221 HA3 GLY 23 HA3 GLY 23 7.704 -3.884 -15.099
222 H GLY 24 H GLY 24 7.254 -3.278 -11.624
223 HA2 GLY 24 HA2 GLY 24 9.745 -1.945 -11.327
224 HA3 GLY 24 HA3 GLY 24 8.809 -2.617 -9.992
225 HA PRO 25 HA PRO 25 12.677 -5.247 -11.197
226 HB2 PRO 25 HB2 PRO 25 14.518 -4.245 -9.428
227 HB3 PRO 25 HB3 PRO 25 14.351 -3.685 -11.102
228 HG2 PRO 25 HG2 PRO 25 13.357 -2.453 -8.586
229 HG3 PRO 25 HG3 PRO 25 14.030 -1.684 -10.033
230 HD2 PRO 25 HD2 PRO 25 11.345 -1.767 -9.508
231 HD3 PRO 25 HD3 PRO 25 12.010 -1.714 -11.156
232 H HIS 26 H HIS 26 11.074 -4.310 -8.258
233 HA HIS 26 HA HIS 26 10.680 -5.489 -6.261
234 HB2 HIS 26 HB2 HIS 26 11.511 -7.905 -7.899
235 HB3 HIS 26 HB3 HIS 26 10.544 -7.915 -6.434
236 HD1 HIS 26 HD1 HIS 26 8.256 -6.274 -6.715
237 HD2 HIS 26 HD2 HIS 26 9.939 -7.992 -10.110
238 HE1 HIS 26 HE1 HIS 26 6.445 -6.270 -8.493
239 HE2 HIS 26 HE2 HIS 26 7.474 -7.279 -10.580
240 H LYS 27 H LYS 27 13.259 -4.320 -6.556
241 HA LYS 27 HA LYS 27 15.447 -6.046 -6.091
242 HB2 LYS 27 HB2 LYS 27 15.625 -3.596 -6.519
243 HB3 LYS 27 HB3 LYS 27 15.021 -3.296 -4.888
244 HG2 LYS 27 HG2 LYS 27 16.928 -4.589 -3.965
245 HG3 LYS 27 HG3 LYS 27 17.549 -4.810 -5.601
246 HD2 LYS 27 HD2 LYS 27 17.625 -2.313 -5.845
247 HD3 LYS 27 HD3 LYS 27 17.174 -2.178 -4.145
248 HE2 LYS 27 HE2 LYS 27 19.224 -3.852 -3.840
249 HE3 LYS 27 HE3 LYS 27 19.739 -3.117 -5.358
250 HZ1 LYS 27 HZ1 LYS 27 18.929 -1.552 -2.974
251 HZ2 LYS 27 HZ2 LYS 27 19.671 -0.971 -4.388
252 HZ3 LYS 27 HZ3 LYS 27 20.538 -1.966 -3.317
253 H VAL 28 H VAL 28 13.304 -4.487 -3.677
254 HA VAL 28 HA VAL 28 14.508 -6.229 -1.593
255 HB VAL 28 HB VAL 28 12.479 -4.015 -1.269
256 HG11 VAL 28 HG11 VAL 28 13.559 -5.998 0.496
257 HG12 VAL 28 HG12 VAL 28 12.417 -4.707 0.869
258 HG13 VAL 28 HG13 VAL 28 14.152 -4.415 0.998
259 HG21 VAL 28 HG21 VAL 28 15.503 -4.006 -1.188
260 HG22 VAL 28 HG22 VAL 28 14.532 -2.742 -0.433
261 HG23 VAL 28 HG23 VAL 28 14.446 -2.996 -2.176
262 H GLY 29 H GLY 29 11.178 -5.088 -2.142
263 HA2 GLY 29 HA2 GLY 29 10.259 -7.920 -1.829
264 HA3 GLY 29 HA3 GLY 29 9.409 -6.571 -1.072
265 HA PRO 30 HA PRO 30 7.760 -7.658 -5.430
266 HB2 PRO 30 HB2 PRO 30 5.197 -7.500 -3.976
267 HB3 PRO 30 HB3 PRO 30 5.774 -8.738 -5.102
268 HG2 PRO 30 HG2 PRO 30 5.585 -9.052 -2.389
269 HG3 PRO 30 HG3 PRO 30 6.629 -10.001 -3.450
270 HD2 PRO 30 HD2 PRO 30 7.372 -7.959 -1.477
271 HD3 PRO 30 HD3 PRO 30 8.395 -9.170 -2.275
272 H ASN 31 H ASN 31 6.865 -6.031 -6.764
273 HA ASN 31 HA ASN 31 6.588 -3.393 -5.439
274 HB2 ASN 31 HB2 ASN 31 6.711 -4.025 -8.400
275 HB3 ASN 31 HB3 ASN 31 6.892 -2.442 -7.644
276 HD21 ASN 31 HD21 ASN 31 8.510 -3.411 -5.378
277 HD22 ASN 31 HD22 ASN 31 10.037 -3.805 -6.010
278 H LEU 32 H LEU 32 4.659 -2.413 -5.229
279 HA LEU 32 HA LEU 32 2.235 -3.842 -5.953
280 HB2 LEU 32 HB2 LEU 32 2.659 -2.333 -3.893
281 HB3 LEU 32 HB3 LEU 32 2.372 -0.989 -4.997
282 HG LEU 32 HG LEU 32 0.188 -2.033 -5.622
283 HD11 LEU 32 HD11 LEU 32 0.140 -4.267 -5.122
284 HD12 LEU 32 HD12 LEU 32 -0.482 -3.688 -3.578
285 HD13 LEU 32 HD13 LEU 32 1.227 -4.086 -3.746
286 HD21 LEU 32 HD21 LEU 32 -0.034 -1.805 -2.684
287 HD22 LEU 32 HD22 LEU 32 -0.846 -0.880 -3.945
288 HD23 LEU 32 HD23 LEU 32 0.795 -0.458 -3.462
289 H HIS 33 H HIS 33 1.266 -0.794 -6.342
290 HA HIS 33 HA HIS 33 0.648 0.529 -8.170
291 HB2 HIS 33 HB2 HIS 33 3.218 0.350 -8.537
292 HB3 HIS 33 HB3 HIS 33 2.802 -0.811 -9.797
293 HD1 HIS 33 HD1 HIS 33 1.769 2.724 -8.771
294 HD2 HIS 33 HD2 HIS 33 2.239 0.409 -12.208
295 HE1 HIS 33 HE1 HIS 33 1.293 4.252 -10.736
296 HE2 HIS 33 HE2 HIS 33 1.576 2.853 -12.833
297 H GLY 34 H GLY 34 -0.949 -1.627 -7.826
298 HA2 GLY 34 HA2 GLY 34 -2.114 -2.067 -10.349
299 HA3 GLY 34 HA3 GLY 34 -1.040 -3.432 -10.062
300 H ILE 35 H ILE 35 -2.859 -1.738 -7.519
301 HA ILE 35 HA ILE 35 -4.660 -4.097 -7.346
302 HB ILE 35 HB ILE 35 -4.423 -4.104 -4.873
303 HG12 ILE 35 HG12 ILE 35 -1.872 -2.613 -5.027
304 HG13 ILE 35 HG13 ILE 35 -3.321 -1.626 -5.145
305 HG21 ILE 35 HG21 ILE 35 -2.260 -5.233 -4.840
306 HG22 ILE 35 HG22 ILE 35 -1.786 -4.430 -6.338
307 HG23 ILE 35 HG23 ILE 35 -3.088 -5.621 -6.348
308 HD11 ILE 35 HD11 ILE 35 -4.021 -2.168 -3.000
309 HD12 ILE 35 HD12 ILE 35 -2.273 -2.244 -2.782
310 HD13 ILE 35 HD13 ILE 35 -3.195 -3.726 -3.014
311 H PHE 36 H PHE 36 -5.081 -2.306 -4.600
312 HA PHE 36 HA PHE 36 -6.781 -0.824 -3.950
313 HB2 PHE 36 HB2 PHE 36 -5.786 0.301 -6.543
314 HB3 PHE 36 HB3 PHE 36 -7.263 0.967 -5.855
315 HD1 PHE 36 HD1 PHE 36 -7.240 2.070 -3.644
316 HD2 PHE 36 HD2 PHE 36 -3.627 0.631 -5.467
317 HE1 PHE 36 HE1 PHE 36 -5.908 3.455 -2.086
318 HE2 PHE 36 HE2 PHE 36 -2.291 2.006 -3.895
319 HZ PHE 36 HZ PHE 36 -3.430 3.418 -2.205
320 H GLY 37 H GLY 37 -7.113 -3.078 -6.302
321 HA2 GLY 37 HA2 GLY 37 -10.007 -3.107 -6.115
322 HA3 GLY 37 HA3 GLY 37 -9.454 -2.634 -7.724
323 H ARG 38 H ARG 38 -7.402 -4.743 -5.930
324 HA ARG 38 HA ARG 38 -8.406 -7.095 -7.474
325 HB2 ARG 38 HB2 ARG 38 -5.550 -6.180 -7.056
326 HB3 ARG 38 HB3 ARG 38 -5.965 -7.800 -7.607
327 HG2 ARG 38 HG2 ARG 38 -7.064 -5.384 -9.029
328 HG3 ARG 38 HG3 ARG 38 -5.441 -5.969 -9.390
329 HD2 ARG 38 HD2 ARG 38 -6.446 -8.256 -9.785
330 HD3 ARG 38 HD3 ARG 38 -8.039 -7.510 -9.652
331 HE ARG 38 HE ARG 38 -6.773 -5.967 -11.559
332 HH11 ARG 38 HH21 ARG 38 -7.312 -9.334 -11.050
333 HH12 ARG 38 HH22 ARG 38 -7.354 -9.719 -12.738
334 HH21 ARG 38 HH11 ARG 38 -6.825 -6.450 -13.766
335 HH22 ARG 38 HH12 ARG 38 -7.078 -8.085 -14.276
336 H HIS 39 H HIS 39 -7.494 -9.184 -6.490
337 HA HIS 39 HA HIS 39 -7.956 -9.062 -3.592
338 HB2 HIS 39 HB2 HIS 39 -7.677 -11.273 -5.606
339 HB3 HIS 39 HB3 HIS 39 -7.559 -11.624 -3.882
340 HD1 HIS 39 HD1 HIS 39 -9.893 -9.573 -6.102
341 HD2 HIS 39 HD2 HIS 39 -10.070 -12.136 -2.826
342 HE1 HIS 39 HE1 HIS 39 -12.344 -9.823 -5.527
343 HE2 HIS 39 HE2 HIS 39 -12.464 -11.382 -3.528
344 H SER 40 H SER 40 -6.415 -9.393 -2.037
345 HA SER 40 HA SER 40 -3.748 -8.716 -2.469
346 HB2 SER 40 HB2 SER 40 -5.267 -9.514 -0.281
347 HB3 SER 40 HB3 SER 40 -4.007 -10.734 -0.378
348 HG SER 40 HG SER 40 -2.589 -9.284 0.186
349 H GLY 41 H GLY 41 -1.966 -9.782 -3.181
350 HA2 GLY 41 HA2 GLY 41 -0.651 -11.850 -3.363
351 HA3 GLY 41 HA3 GLY 41 -2.157 -12.736 -3.551
352 H GLN 42 H GLN 42 -2.887 -10.240 -5.381
353 HA GLN 42 HA GLN 42 -1.794 -11.558 -7.811
354 HB2 GLN 42 HB2 GLN 42 -4.041 -9.557 -7.441
355 HB3 GLN 42 HB3 GLN 42 -3.539 -10.220 -9.000
356 HG2 GLN 42 HG2 GLN 42 -4.009 -12.494 -8.206
357 HG3 GLN 42 HG3 GLN 42 -4.467 -11.860 -6.626
358 HE21 GLN 42 HE21 GLN 42 -6.353 -13.341 -8.157
359 HE22 GLN 42 HE22 GLN 42 -7.582 -12.292 -8.679
360 H ALA 43 H ALA 43 -0.000 -10.681 -8.667
361 HA ALA 43 HA ALA 43 0.194 -7.747 -8.928
362 HB1 ALA 43 HB1 ALA 43 2.786 -8.416 -8.196
363 HB2 ALA 43 HB2 ALA 43 1.801 -9.344 -7.066
364 HB3 ALA 43 HB3 ALA 43 1.615 -7.592 -7.167
365 H GLU 44 H GLU 44 1.048 -7.251 -10.902
366 HA GLU 44 HA GLU 44 1.746 -9.393 -12.730
367 HB2 GLU 44 HB2 GLU 44 0.574 -7.296 -13.435
368 HB3 GLU 44 HB3 GLU 44 2.058 -6.401 -13.106
369 HG2 GLU 44 HG2 GLU 44 3.259 -7.862 -14.730
370 HG3 GLU 44 HG3 GLU 44 1.728 -8.653 -15.109
371 H GLY 45 H GLY 45 3.544 -6.810 -11.068
372 HA2 GLY 45 HA2 GLY 45 6.067 -7.284 -12.289
373 HA3 GLY 45 HA3 GLY 45 5.849 -6.592 -10.678
374 H TYR 46 H TYR 46 4.753 -8.596 -9.222
375 HA TYR 46 HA TYR 46 6.123 -11.116 -9.720
376 HB2 TYR 46 HB2 TYR 46 8.035 -10.098 -8.782
377 HB3 TYR 46 HB3 TYR 46 7.081 -9.203 -7.600
378 HD1 TYR 46 HD2 TYR 46 7.072 -12.832 -8.570
379 HD2 TYR 46 HD1 TYR 46 7.699 -9.930 -5.467
380 HE1 TYR 46 HE2 TYR 46 7.375 -14.658 -6.921
381 HE2 TYR 46 HE1 TYR 46 8.002 -11.758 -3.812
382 HH TYR 46 HH TYR 46 7.425 -15.122 -4.679
383 H SER 47 H SER 47 5.276 -12.807 -8.490
384 HA SER 47 HA SER 47 2.691 -12.296 -7.278
385 HB2 SER 47 HB2 SER 47 2.533 -14.645 -7.031
386 HB3 SER 47 HB3 SER 47 3.513 -14.447 -8.481
387 HG SER 47 HG SER 47 4.428 -15.939 -6.993
388 H TYR 48 H TYR 48 2.232 -12.102 -5.099
389 HA TYR 48 HA TYR 48 4.325 -11.301 -3.328
390 HB2 TYR 48 HB2 TYR 48 1.481 -12.149 -2.782
391 HB3 TYR 48 HB3 TYR 48 2.547 -11.448 -1.571
392 HD1 TYR 48 HD1 TYR 48 0.791 -10.808 -4.772
393 HD2 TYR 48 HD2 TYR 48 3.123 -9.119 -1.590
394 HE1 TYR 48 HE1 TYR 48 0.248 -8.529 -5.585
395 HE2 TYR 48 HE2 TYR 48 2.584 -6.839 -2.402
396 HH TYR 48 HH TYR 48 0.705 -5.776 -3.761
397 H THR 49 H THR 49 4.169 -12.474 -0.967
398 HA THR 49 HA THR 49 5.586 -14.957 -1.310
399 HB THR 49 HB THR 49 4.331 -13.926 1.244
400 HG1 THR 49 HG1 THR 49 5.549 -12.294 0.256
401 HG21 THR 49 HG21 THR 49 6.989 -15.270 1.052
402 HG22 THR 49 HG22 THR 49 5.547 -16.270 0.879
403 HG23 THR 49 HG23 THR 49 5.794 -15.326 2.347
404 H ASP 50 H ASP 50 4.890 -17.081 -0.846
405 HA ASP 50 HA ASP 50 2.316 -17.861 -1.602
406 HB2 ASP 50 HB2 ASP 50 4.311 -19.376 -1.268
407 HB3 ASP 50 HB3 ASP 50 3.991 -19.311 0.466
408 H ALA 51 H ALA 51 3.478 -16.971 1.638
409 HA ALA 51 HA ALA 51 1.108 -17.727 3.055
410 HB1 ALA 51 HB1 ALA 51 2.236 -15.385 4.243
411 HB2 ALA 51 HB2 ALA 51 3.562 -16.382 3.643
412 HB3 ALA 51 HB3 ALA 51 2.394 -17.058 4.779
413 H ASN 52 H ASN 52 2.130 -14.524 1.835
414 HA ASN 52 HA ASN 52 -0.328 -13.196 2.406
415 HB2 ASN 52 HB2 ASN 52 1.749 -11.989 1.811
416 HB3 ASN 52 HB3 ASN 52 1.651 -12.638 0.172
417 HD21 ASN 52 HD21 ASN 52 1.582 -10.091 -0.188
418 HD22 ASN 52 HD22 ASN 52 0.022 -9.421 -0.258
419 H ILE 53 H ILE 53 0.798 -14.919 -0.483
420 HA ILE 53 HA ILE 53 -1.529 -14.403 -2.071
421 HB ILE 53 HB ILE 53 0.428 -16.703 -2.179
422 HG12 ILE 53 HG12 ILE 53 0.283 -14.137 -3.789
423 HG13 ILE 53 HG13 ILE 53 1.386 -14.401 -2.441
424 HG21 ILE 53 HG21 ILE 53 -0.378 -16.913 -4.530
425 HG22 ILE 53 HG22 ILE 53 -1.616 -15.706 -4.182
426 HG23 ILE 53 HG23 ILE 53 -1.642 -17.262 -3.348
427 HD11 ILE 53 HD11 ILE 53 2.535 -16.150 -3.596
428 HD12 ILE 53 HD12 ILE 53 2.351 -14.842 -4.764
429 HD13 ILE 53 HD13 ILE 53 1.286 -16.245 -4.837
430 H LYS 54 H LYS 54 -0.776 -16.837 0.362
431 HA LYS 54 HA LYS 54 -2.838 -18.692 -0.175
432 HB2 LYS 54 HB2 LYS 54 -1.088 -19.025 1.555
433 HB3 LYS 54 HB3 LYS 54 -1.854 -17.779 2.538
434 HG2 LYS 54 HG2 LYS 54 -3.940 -19.109 2.585
435 HG3 LYS 54 HG3 LYS 54 -3.140 -20.374 1.650
436 HD2 LYS 54 HD2 LYS 54 -1.419 -20.548 3.467
437 HD3 LYS 54 HD3 LYS 54 -2.369 -19.406 4.418
438 HE2 LYS 54 HE2 LYS 54 -4.269 -20.923 4.437
439 HE3 LYS 54 HE3 LYS 54 -3.435 -22.035 3.352
440 HZ1 LYS 54 HZ1 LYS 54 -1.687 -22.235 5.082
441 HZ2 LYS 54 HZ2 LYS 54 -3.200 -22.839 5.563
442 HZ3 LYS 54 HZ3 LYS 54 -2.667 -21.328 6.129
443 H LYS 55 H LYS 55 -2.908 -15.673 1.693
444 HA LYS 55 HA LYS 55 -5.881 -15.891 1.826
445 HB2 LYS 55 HB2 LYS 55 -4.537 -15.466 3.946
446 HB3 LYS 55 HB3 LYS 55 -4.107 -13.899 3.263
447 HG2 LYS 55 HG2 LYS 55 -6.516 -13.345 3.051
448 HG3 LYS 55 HG3 LYS 55 -6.923 -14.892 3.794
449 HD2 LYS 55 HD2 LYS 55 -5.572 -14.212 5.801
450 HD3 LYS 55 HD3 LYS 55 -5.372 -12.620 5.067
451 HE2 LYS 55 HE2 LYS 55 -7.334 -12.035 6.010
452 HE3 LYS 55 HE3 LYS 55 -8.123 -13.154 4.897
453 HZ1 LYS 55 HZ1 LYS 55 -7.095 -13.779 7.611
454 HZ2 LYS 55 HZ2 LYS 55 -7.707 -14.934 6.526
455 HZ3 LYS 55 HZ3 LYS 55 -8.721 -13.713 7.131
456 H ASN 56 H ASN 56 -6.960 -14.750 0.285
457 HA ASN 56 HA ASN 56 -5.615 -12.330 -0.863
458 HB2 ASN 56 HB2 ASN 56 -7.739 -13.431 -2.500
459 HB3 ASN 56 HB3 ASN 56 -6.070 -13.093 -2.936
460 HD21 ASN 56 HD21 ASN 56 -4.749 -14.844 -1.093
461 HD22 ASN 56 HD22 ASN 56 -5.121 -16.445 -1.517
462 H VAL 57 H VAL 57 -6.721 -10.448 -0.641
463 HA VAL 57 HA VAL 57 -9.636 -10.584 -0.057
464 HB VAL 57 HB VAL 57 -7.650 -8.750 1.299
465 HG11 VAL 57 HG11 VAL 57 -9.454 -7.563 1.932
466 HG12 VAL 57 HG12 VAL 57 -10.174 -9.013 2.631
467 HG13 VAL 57 HG13 VAL 57 -10.473 -8.607 0.941
468 HG21 VAL 57 HG21 VAL 57 -8.595 -11.461 1.908
469 HG22 VAL 57 HG22 VAL 57 -8.858 -10.324 3.231
470 HG23 VAL 57 HG23 VAL 57 -7.234 -10.569 2.589
471 H LEU 58 H LEU 58 -10.847 -9.121 -1.204
472 HA LEU 58 HA LEU 58 -9.788 -7.770 -3.444
473 HB2 LEU 58 HB2 LEU 58 -12.199 -8.210 -3.138
474 HB3 LEU 58 HB3 LEU 58 -12.242 -7.023 -1.835
475 HG LEU 58 HG LEU 58 -11.455 -5.279 -3.436
476 HD11 LEU 58 HD11 LEU 58 -11.318 -7.681 -5.179
477 HD12 LEU 58 HD12 LEU 58 -10.359 -6.201 -5.223
478 HD13 LEU 58 HD13 LEU 58 -11.975 -6.228 -5.930
479 HD21 LEU 58 HD21 LEU 58 -13.620 -5.445 -4.918
480 HD22 LEU 58 HD22 LEU 58 -13.784 -5.240 -3.173
481 HD23 LEU 58 HD23 LEU 58 -13.990 -6.836 -3.896
482 H TRP 59 H TRP 59 -9.080 -5.637 -3.757
483 HA TRP 59 HA TRP 59 -8.268 -4.283 -1.258
484 HB2 TRP 59 HB2 TRP 59 -7.274 -4.244 -4.085
485 HB3 TRP 59 HB3 TRP 59 -6.904 -2.898 -3.010
486 HD1 TRP 59 HD1 TRP 59 -5.432 -6.014 -4.051
487 HE1 TRP 59 HE1 TRP 59 -3.794 -6.932 -2.291
488 HE3 TRP 59 HE3 TRP 59 -6.795 -3.194 -0.012
489 HZ2 TRP 59 HZ2 TRP 59 -3.164 -6.543 0.467
490 HZ3 TRP 59 HZ3 TRP 59 -5.667 -3.507 2.171
491 HH2 TRP 59 HH2 TRP 59 -3.855 -5.174 2.411
492 H ASP 60 H ASP 60 -8.904 -2.239 -0.743
493 HA ASP 60 HA ASP 60 -10.502 -0.665 -2.678
494 HB2 ASP 60 HB2 ASP 60 -12.068 -2.114 -1.299
495 HB3 ASP 60 HB3 ASP 60 -11.495 -1.250 0.128
496 H GLU 61 H GLU 61 -10.622 1.624 -1.980
497 HA GLU 61 HA GLU 61 -8.199 2.601 -0.907
498 HB2 GLU 61 HB2 GLU 61 -10.927 3.927 -0.933
499 HB3 GLU 61 HB3 GLU 61 -9.401 4.761 -0.641
500 HG2 GLU 61 HG2 GLU 61 -9.723 5.096 -2.939
501 HG3 GLU 61 HG3 GLU 61 -8.659 3.692 -2.901
502 H ASN 62 H ASN 62 -11.276 1.889 0.711
503 HA ASN 62 HA ASN 62 -10.401 2.891 3.288
504 HB2 ASN 62 HB2 ASN 62 -12.628 0.972 2.538
505 HB3 ASN 62 HB3 ASN 62 -12.397 1.658 4.146
506 HD21 ASN 62 HD21 ASN 62 -14.781 2.189 2.665
507 HD22 ASN 62 HD22 ASN 62 -14.794 3.837 2.235
508 H ASN 63 H ASN 63 -10.521 -0.341 1.785
509 HA ASN 63 HA ASN 63 -9.650 -1.782 4.094
510 HB2 ASN 63 HB2 ASN 63 -9.373 -2.408 1.144
511 HB3 ASN 63 HB3 ASN 63 -9.043 -3.553 2.442
512 HD21 ASN 63 HD21 ASN 63 -11.111 -4.071 0.546
513 HD22 ASN 63 HD22 ASN 63 -12.613 -3.976 1.342
514 H MET 64 H MET 64 -7.857 -0.225 1.460
515 HA MET 64 HA MET 64 -5.300 -1.276 2.117
516 HB2 MET 64 HB2 MET 64 -6.152 1.276 0.753
517 HB3 MET 64 HB3 MET 64 -4.465 0.828 0.935
518 HG2 MET 64 HG2 MET 64 -5.171 -1.439 -0.123
519 HG3 MET 64 HG3 MET 64 -6.617 -0.573 -0.634
520 HE1 MET 64 HE1 MET 64 -3.017 -1.262 -0.851
521 HE2 MET 64 HE2 MET 64 -2.691 0.400 -0.362
522 HE3 MET 64 HE3 MET 64 -2.302 -0.117 -1.997
523 H SER 65 H SER 65 -7.029 1.544 3.408
524 HA SER 65 HA SER 65 -4.856 2.703 4.818
525 HB2 SER 65 HB2 SER 65 -7.743 2.568 5.730
526 HB3 SER 65 HB3 SER 65 -6.538 3.745 6.242
527 HG SER 65 HG SER 65 -6.388 4.104 3.816
528 H GLU 66 H GLU 66 -7.070 0.081 5.763
529 HA GLU 66 HA GLU 66 -6.048 -0.216 8.428
530 HB2 GLU 66 HB2 GLU 66 -7.404 -2.220 6.599
531 HB3 GLU 66 HB3 GLU 66 -7.110 -2.472 8.320
532 HG2 GLU 66 HG2 GLU 66 -8.439 -0.436 8.827
533 HG3 GLU 66 HG3 GLU 66 -8.777 -0.248 7.107
534 H TYR 67 H TYR 67 -5.107 -1.676 5.325
535 HA TYR 67 HA TYR 67 -3.285 -3.593 6.407
536 HB2 TYR 67 HB2 TYR 67 -4.086 -3.599 4.048
537 HB3 TYR 67 HB3 TYR 67 -3.103 -2.168 3.739
538 HD1 TYR 67 HD1 TYR 67 -3.047 -5.780 4.464
539 HD2 TYR 67 HD2 TYR 67 -0.667 -2.286 3.706
540 HE1 TYR 67 HE1 TYR 67 -1.058 -7.214 4.095
541 HE2 TYR 67 HE2 TYR 67 1.319 -3.721 3.337
542 HH TYR 67 HH TYR 67 1.395 -7.012 4.184
543 H LEU 68 H LEU 68 -2.749 -0.250 5.257
544 HA LEU 68 HA LEU 68 0.047 -0.156 5.608
545 HB2 LEU 68 HB2 LEU 68 -1.972 2.054 6.092
546 HB3 LEU 68 HB3 LEU 68 -0.245 2.282 5.832
547 HG LEU 68 HG LEU 68 -2.166 1.027 3.856
548 HD11 LEU 68 HD11 LEU 68 -1.219 3.176 2.585
549 HD12 LEU 68 HD12 LEU 68 -1.055 3.773 4.235
550 HD13 LEU 68 HD13 LEU 68 -2.636 3.278 3.630
551 HD21 LEU 68 HD21 LEU 68 -0.177 0.029 3.258
552 HD22 LEU 68 HD22 LEU 68 0.798 1.293 4.006
553 HD23 LEU 68 HD23 LEU 68 0.048 1.574 2.436
554 H THR 69 H THR 69 -2.537 0.062 7.990
555 HA THR 69 HA THR 69 -1.198 1.188 10.161
556 HB THR 69 HB THR 69 -3.043 -1.205 10.322
557 HG1 THR 69 HG1 THR 69 -3.478 1.120 9.202
558 HG21 THR 69 HG21 THR 69 -3.637 -0.290 12.480
559 HG22 THR 69 HG22 THR 69 -2.638 1.134 12.193
560 HG23 THR 69 HG23 THR 69 -1.881 -0.444 12.407
561 H ASN 70 H ASN 70 -1.056 -2.221 9.081
562 HA ASN 70 HA ASN 70 1.434 -2.483 10.710
563 HB2 ASN 70 HB2 ASN 70 -0.824 -4.503 10.626
564 HB3 ASN 70 HB3 ASN 70 0.732 -4.745 11.419
565 HD21 ASN 70 HD21 ASN 70 -1.682 -4.836 12.918
566 HD22 ASN 70 HD22 ASN 70 -1.730 -3.487 13.957
567 H HIS 71 H HIS 71 0.716 -2.257 7.732
568 HA HIS 71 HA HIS 71 1.374 -3.300 5.723
569 HB2 HIS 71 HB2 HIS 71 3.517 -3.483 7.629
570 HB3 HIS 71 HB3 HIS 71 3.497 -4.950 6.651
571 HD1 HIS 71 HD1 HIS 71 4.494 -1.444 6.579
572 HD2 HIS 71 HD2 HIS 71 3.539 -4.334 3.718
573 HE1 HIS 71 HE1 HIS 71 5.365 -0.578 4.365
574 H ALA 72 H ALA 72 -0.229 -4.879 7.987
575 HA ALA 72 HA ALA 72 -0.783 -7.196 6.388
576 HB1 ALA 72 HB1 ALA 72 1.399 -7.979 7.054
577 HB2 ALA 72 HB2 ALA 72 0.203 -8.890 7.974
578 HB3 ALA 72 HB3 ALA 72 1.084 -7.569 8.739
579 H LYS 73 H LYS 73 -1.820 -5.040 8.419
580 HA LYS 73 HA LYS 73 -2.963 -6.352 10.654
581 HB2 LYS 73 HB2 LYS 73 -2.977 -3.871 10.280
582 HB3 LYS 73 HB3 LYS 73 -4.224 -4.105 9.055
583 HG2 LYS 73 HG2 LYS 73 -5.674 -5.179 10.760
584 HG3 LYS 73 HG3 LYS 73 -4.437 -4.876 11.981
585 HD2 LYS 73 HD2 LYS 73 -4.601 -2.430 11.461
586 HD3 LYS 73 HD3 LYS 73 -5.947 -2.790 10.380
587 HE2 LYS 73 HE2 LYS 73 -5.814 -3.048 13.376
588 HE3 LYS 73 HE3 LYS 73 -7.036 -2.249 12.387
589 HZ1 LYS 73 HZ1 LYS 73 -6.572 -5.169 12.636
590 HZ2 LYS 73 HZ2 LYS 73 -7.639 -4.467 11.515
591 HZ3 LYS 73 HZ3 LYS 73 -7.922 -4.299 13.181
592 H TYR 74 H TYR 74 -4.124 -6.068 7.316
593 HA TYR 74 HA TYR 74 -6.558 -7.601 7.976
594 HB2 TYR 74 HB2 TYR 74 -6.087 -5.638 6.150
595 HB3 TYR 74 HB3 TYR 74 -5.880 -7.071 5.142
596 HD1 TYR 74 HD1 TYR 74 -7.722 -8.784 5.024
597 HD2 TYR 74 HD2 TYR 74 -8.234 -4.974 6.938
598 HE1 TYR 74 HE1 TYR 74 -10.184 -9.067 4.925
599 HE2 TYR 74 HE2 TYR 74 -10.698 -5.256 6.841
600 HH TYR 74 HH TYR 74 -12.309 -7.296 6.719
601 H ILE 75 H ILE 75 -3.348 -8.252 7.020
602 HA ILE 75 HA ILE 75 -4.166 -11.000 6.152
603 HB ILE 75 HB ILE 75 -1.645 -9.703 5.171
604 HG12 ILE 75 HG12 ILE 75 -4.376 -9.452 3.880
605 HG13 ILE 75 HG13 ILE 75 -3.469 -8.130 4.622
606 HG21 ILE 75 HG21 ILE 75 -2.099 -12.154 4.880
607 HG22 ILE 75 HG22 ILE 75 -1.926 -11.291 3.351
608 HG23 ILE 75 HG23 ILE 75 -3.529 -11.734 3.937
609 HD11 ILE 75 HD11 ILE 75 -2.672 -7.840 2.501
610 HD12 ILE 75 HD12 ILE 75 -3.023 -9.505 2.036
611 HD13 ILE 75 HD13 ILE 75 -1.572 -9.138 2.968
612 HA PRO 76 HA PRO 76 -1.417 -11.278 9.880
613 HB2 PRO 76 HB2 PRO 76 -2.936 -13.795 10.224
614 HB3 PRO 76 HB3 PRO 76 -2.652 -12.488 11.387
615 HG2 PRO 76 HG2 PRO 76 -5.046 -12.915 10.233
616 HG3 PRO 76 HG3 PRO 76 -4.479 -11.305 10.707
617 HD2 PRO 76 HD2 PRO 76 -4.654 -12.512 7.978
618 HD3 PRO 76 HD3 PRO 76 -4.844 -10.816 8.479
619 H GLY 77 H GLY 77 0.526 -12.333 9.793
620 HA2 GLY 77 HA2 GLY 77 1.954 -14.233 9.364
621 HA3 GLY 77 HA3 GLY 77 0.718 -14.880 8.281
622 H THR 78 H THR 78 0.617 -11.848 7.343
623 HA THR 78 HA THR 78 2.275 -12.288 5.018
624 HB THR 78 HB THR 78 0.750 -9.875 5.998
625 HG1 THR 78 HG1 THR 78 -0.423 -11.740 5.322
626 HG21 THR 78 HG21 THR 78 2.690 -10.192 3.826
627 HG22 THR 78 HG22 THR 78 2.030 -8.719 4.536
628 HG23 THR 78 HG23 THR 78 1.127 -9.578 3.287
629 H LYS 79 H LYS 79 4.230 -11.228 4.469
630 HA LYS 79 HA LYS 79 6.115 -10.811 6.518
631 HB2 LYS 79 HB2 LYS 79 6.085 -9.602 3.737
632 HB3 LYS 79 HB3 LYS 79 7.491 -9.670 4.793
633 HG2 LYS 79 HG2 LYS 79 7.290 -12.162 4.825
634 HG3 LYS 79 HG3 LYS 79 5.973 -12.035 3.658
635 HD2 LYS 79 HD2 LYS 79 7.522 -10.810 2.116
636 HD3 LYS 79 HD3 LYS 79 8.833 -11.105 3.257
637 HE2 LYS 79 HE2 LYS 79 7.270 -13.498 2.473
638 HE3 LYS 79 HE3 LYS 79 8.244 -12.771 1.190
639 HZ1 LYS 79 HZ1 LYS 79 9.834 -14.043 2.127
640 HZ2 LYS 79 HZ2 LYS 79 9.083 -14.084 3.650
641 HZ3 LYS 79 HZ3 LYS 79 9.984 -12.722 3.182
642 H MET 80 H MET 80 6.778 -9.025 7.689
643 HA MET 80 HA MET 80 5.410 -6.426 7.140
644 HB2 MET 80 HB2 MET 80 5.822 -7.732 9.849
645 HB3 MET 80 HB3 MET 80 5.238 -6.086 9.606
646 HG2 MET 80 HG2 MET 80 3.347 -7.027 8.246
647 HG3 MET 80 HG3 MET 80 3.891 -8.642 8.699
648 HE1 MET 80 HE1 MET 80 4.505 -9.269 10.923
649 HE2 MET 80 HE2 MET 80 3.515 -8.976 12.352
650 HE3 MET 80 HE3 MET 80 4.853 -7.893 11.979
651 H ALA 81 H ALA 81 6.708 -4.572 7.659
652 HA ALA 81 HA ALA 81 9.106 -4.510 9.090
653 HB1 ALA 81 HB1 ALA 81 9.387 -5.677 6.358
654 HB2 ALA 81 HB2 ALA 81 10.312 -6.010 7.823
655 HB3 ALA 81 HB3 ALA 81 10.633 -4.548 6.890
656 H PHE 82 H PHE 82 7.668 -2.484 9.149
657 HA PHE 82 HA PHE 82 8.676 -0.555 7.098
658 HB2 PHE 82 HB2 PHE 82 6.329 -0.902 6.614
659 HB3 PHE 82 HB3 PHE 82 5.902 -0.682 8.313
660 HD1 PHE 82 HD2 PHE 82 7.485 1.049 5.406
661 HD2 PHE 82 HD1 PHE 82 5.489 1.468 9.186
662 HE1 PHE 82 HE2 PHE 82 7.373 3.504 5.078
663 HE2 PHE 82 HE1 PHE 82 5.390 3.916 8.866
664 HZ PHE 82 HZ PHE 82 6.326 4.939 6.806
665 H GLY 83 H GLY 83 6.574 0.259 9.781
666 HA2 GLY 83 HA2 GLY 83 8.551 0.921 11.719
667 HA3 GLY 83 HA3 GLY 83 8.264 2.344 10.717
668 H GLY 84 H GLY 84 6.360 3.523 11.029
669 HA2 GLY 84 HA2 GLY 84 4.189 2.332 12.634
670 HA3 GLY 84 HA3 GLY 84 5.026 3.694 13.373
671 H LEU 85 H LEU 85 3.536 2.870 10.209
672 HA LEU 85 HA LEU 85 2.885 5.691 9.716
673 HB2 LEU 85 HB2 LEU 85 3.287 3.577 8.047
674 HB3 LEU 85 HB3 LEU 85 1.525 3.574 8.146
675 HG LEU 85 HG LEU 85 1.677 6.112 7.690
676 HD11 LEU 85 HD11 LEU 85 4.355 5.714 8.001
677 HD12 LEU 85 HD12 LEU 85 3.669 7.053 7.088
678 HD13 LEU 85 HD13 LEU 85 4.212 5.601 6.249
679 HD21 LEU 85 HD21 LEU 85 1.689 3.842 5.931
680 HD22 LEU 85 HD22 LEU 85 2.621 5.136 5.181
681 HD23 LEU 85 HD23 LEU 85 0.955 5.425 5.673
682 H LYS 86 H LYS 86 1.754 3.880 12.003
683 HA LYS 86 HA LYS 86 -1.007 3.483 11.679
684 HB2 LYS 86 HB2 LYS 86 0.323 2.801 13.684
685 HB3 LYS 86 HB3 LYS 86 0.365 4.491 14.188
686 HG2 LYS 86 HG2 LYS 86 -2.122 4.519 14.219
687 HG3 LYS 86 HG3 LYS 86 -2.125 2.806 13.796
688 HD2 LYS 86 HD2 LYS 86 -0.793 2.337 15.857
689 HD3 LYS 86 HD3 LYS 86 -0.932 4.039 16.297
690 HE2 LYS 86 HE2 LYS 86 -3.499 2.760 15.619
691 HE3 LYS 86 HE3 LYS 86 -2.714 2.087 17.048
692 HZ1 LYS 86 HZ1 LYS 86 -3.994 4.611 16.710
693 HZ2 LYS 86 HZ2 LYS 86 -2.407 4.796 17.287
694 HZ3 LYS 86 HZ3 LYS 86 -3.515 3.829 18.137
695 H LYS 87 H LYS 87 0.769 6.474 12.195
696 HA LYS 87 HA LYS 87 -1.346 8.157 13.022
697 HB2 LYS 87 HB2 LYS 87 0.986 8.787 11.186
698 HB3 LYS 87 HB3 LYS 87 -0.040 9.996 11.960
699 HG2 LYS 87 HG2 LYS 87 0.587 9.048 14.184
700 HG3 LYS 87 HG3 LYS 87 1.697 7.947 13.367
701 HD2 LYS 87 HD2 LYS 87 2.865 9.928 12.382
702 HD3 LYS 87 HD3 LYS 87 1.817 10.976 13.338
703 HE2 LYS 87 HE2 LYS 87 3.850 10.710 14.590
704 HE3 LYS 87 HE3 LYS 87 2.626 9.728 15.396
705 HZ1 LYS 87 HZ1 LYS 87 4.964 8.750 14.814
706 HZ2 LYS 87 HZ2 LYS 87 4.252 8.494 13.293
707 HZ3 LYS 87 HZ3 LYS 87 3.569 7.795 14.683
708 H GLU 88 H GLU 88 -3.199 8.727 12.016
709 HA GLU 88 HA GLU 88 -3.896 7.772 9.411
710 HB2 GLU 88 HB2 GLU 88 -5.149 9.921 11.125
711 HB3 GLU 88 HB3 GLU 88 -5.882 9.270 9.661
712 HG2 GLU 88 HG2 GLU 88 -5.829 7.002 10.665
713 HG3 GLU 88 HG3 GLU 88 -5.152 7.687 12.143
714 H LYS 89 H LYS 89 -2.485 10.792 10.524
715 HA LYS 89 HA LYS 89 -3.034 12.440 8.307
716 HB2 LYS 89 HB2 LYS 89 -0.545 12.304 10.030
717 HB3 LYS 89 HB3 LYS 89 -0.935 13.629 8.935
718 HG2 LYS 89 HG2 LYS 89 -3.075 13.975 10.174
719 HG3 LYS 89 HG3 LYS 89 -2.576 12.727 11.317
720 HD2 LYS 89 HD2 LYS 89 -0.519 14.061 11.808
721 HD3 LYS 89 HD3 LYS 89 -1.139 15.338 10.761
722 HE2 LYS 89 HE2 LYS 89 -2.123 16.142 12.640
723 HE3 LYS 89 HE3 LYS 89 -3.293 14.844 12.405
724 HZ1 LYS 89 HZ1 LYS 89 -1.330 15.151 14.441
725 HZ2 LYS 89 HZ2 LYS 89 -1.148 13.664 13.641
726 HZ3 LYS 89 HZ3 LYS 89 -2.633 14.069 14.360
727 H ASP 90 H ASP 90 -0.288 10.191 8.767
728 HA ASP 90 HA ASP 90 0.834 10.743 6.164
729 HB2 ASP 90 HB2 ASP 90 1.190 8.383 8.036
730 HB3 ASP 90 HB3 ASP 90 2.152 8.667 6.586
731 H ARG 91 H ARG 91 -1.093 8.009 7.434
732 HA ARG 91 HA ARG 91 -1.304 6.604 4.976
733 HB2 ARG 91 HB2 ARG 91 -3.198 6.724 7.335
734 HB3 ARG 91 HB3 ARG 91 -3.357 5.578 6.004
735 HG2 ARG 91 HG2 ARG 91 -1.059 4.754 6.475
736 HG3 ARG 91 HG3 ARG 91 -0.974 5.846 7.855
737 HD2 ARG 91 HD2 ARG 91 -3.000 3.621 7.483
738 HD3 ARG 91 HD3 ARG 91 -1.615 3.578 8.573
739 HE ARG 91 HE ARG 91 -3.012 5.859 9.328
740 HH11 ARG 91 HH21 ARG 91 -3.691 2.508 8.885
741 HH12 ARG 91 HH22 ARG 91 -4.897 2.451 10.126
742 HH21 ARG 91 HH11 ARG 91 -4.581 5.803 10.956
743 HH22 ARG 91 HH12 ARG 91 -5.402 4.317 11.298
744 H ASN 92 H ASN 92 -3.249 9.270 6.263
745 HA ASN 92 HA ASN 92 -5.344 9.114 4.332
746 HB2 ASN 92 HB2 ASN 92 -4.237 11.477 5.867
747 HB3 ASN 92 HB3 ASN 92 -5.715 11.522 4.913
748 HD21 ASN 92 HD21 ASN 92 -6.207 12.074 7.487
749 HD22 ASN 92 HD22 ASN 92 -6.840 10.742 8.328
750 H ASP 93 H ASP 93 -2.640 11.453 4.407
751 HA ASP 93 HA ASP 93 -3.049 12.360 1.729
752 HB2 ASP 93 HB2 ASP 93 -0.557 12.376 3.458
753 HB3 ASP 93 HB3 ASP 93 -0.705 13.237 1.925
754 H LEU 94 H LEU 94 -1.050 9.778 3.065
755 HA LEU 94 HA LEU 94 0.523 9.096 0.855
756 HB2 LEU 94 HB2 LEU 94 0.735 7.979 3.013
757 HB3 LEU 94 HB3 LEU 94 -0.872 7.283 2.840
758 HG LEU 94 HG LEU 94 -0.113 6.029 0.845
759 HD11 LEU 94 HD11 LEU 94 1.609 7.221 -0.154
760 HD12 LEU 94 HD12 LEU 94 2.528 5.989 0.710
761 HD13 LEU 94 HD13 LEU 94 2.374 7.610 1.387
762 HD21 LEU 94 HD21 LEU 94 0.379 5.470 3.469
763 HD22 LEU 94 HD22 LEU 94 2.002 5.350 2.792
764 HD23 LEU 94 HD23 LEU 94 0.698 4.352 2.145
765 H ILE 95 H ILE 95 -2.556 7.521 1.671
766 HA ILE 95 HA ILE 95 -2.847 6.275 -0.871
767 HB ILE 95 HB ILE 95 -4.889 6.937 1.259
768 HG12 ILE 95 HG12 ILE 95 -3.353 4.395 0.617
769 HG13 ILE 95 HG13 ILE 95 -2.980 5.492 1.947
770 HG21 ILE 95 HG21 ILE 95 -5.667 4.670 -0.171
771 HG22 ILE 95 HG22 ILE 95 -5.132 5.808 -1.407
772 HG23 ILE 95 HG23 ILE 95 -6.397 6.272 -0.270
773 HD11 ILE 95 HD11 ILE 95 -4.806 3.344 1.992
774 HD12 ILE 95 HD12 ILE 95 -5.790 4.809 1.992
775 HD13 ILE 95 HD13 ILE 95 -4.571 4.565 3.242
776 H THR 96 H THR 96 -3.791 9.454 0.300
777 HA THR 96 HA THR 96 -5.756 10.135 -1.582
778 HB THR 96 HB THR 96 -3.517 11.963 -0.669
779 HG1 THR 96 HG1 THR 96 -5.938 11.859 0.670
780 HG21 THR 96 HG21 THR 96 -5.196 13.702 -0.927
781 HG22 THR 96 HG22 THR 96 -6.415 12.498 -1.344
782 HG23 THR 96 HG23 THR 96 -5.062 12.796 -2.435
783 H TYR 97 H TYR 97 -2.219 10.133 -1.914
784 HA TYR 97 HA TYR 97 -2.285 11.135 -4.640
785 HB2 TYR 97 HB2 TYR 97 -0.308 11.508 -3.274
786 HB3 TYR 97 HB3 TYR 97 -0.103 9.771 -3.041
787 HD1 TYR 97 HD1 TYR 97 -0.140 12.454 -5.638
788 HD2 TYR 97 HD2 TYR 97 1.023 8.449 -4.629
789 HE1 TYR 97 HE1 TYR 97 1.181 12.309 -7.734
790 HE2 TYR 97 HE2 TYR 97 2.339 8.297 -6.719
791 HH TYR 97 HH TYR 97 2.226 9.488 -9.052
792 H LEU 98 H LEU 98 -1.813 7.929 -3.158
793 HA LEU 98 HA LEU 98 -1.437 6.489 -5.590
794 HB2 LEU 98 HB2 LEU 98 -2.722 5.526 -3.017
795 HB3 LEU 98 HB3 LEU 98 -2.043 4.501 -4.280
796 HG LEU 98 HG LEU 98 -0.454 6.584 -2.752
797 HD11 LEU 98 HD11 LEU 98 -0.690 3.581 -2.388
798 HD12 LEU 98 HD12 LEU 98 -1.101 4.826 -1.209
799 HD13 LEU 98 HD13 LEU 98 0.582 4.562 -1.662
800 HD21 LEU 98 HD21 LEU 98 1.407 5.017 -3.715
801 HD22 LEU 98 HD22 LEU 98 0.668 6.218 -4.772
802 HD23 LEU 98 HD23 LEU 98 0.160 4.534 -4.864
803 H LYS 99 H LYS 99 -4.389 7.215 -3.748
804 HA LYS 99 HA LYS 99 -6.190 5.783 -5.427
805 HB2 LYS 99 HB2 LYS 99 -6.802 6.654 -3.198
806 HB3 LYS 99 HB3 LYS 99 -6.705 8.293 -3.827
807 HG2 LYS 99 HG2 LYS 99 -8.465 7.719 -5.502
808 HG3 LYS 99 HG3 LYS 99 -8.606 6.127 -4.756
809 HD2 LYS 99 HD2 LYS 99 -9.127 7.266 -2.576
810 HD3 LYS 99 HD3 LYS 99 -9.156 8.801 -3.443
811 HE2 LYS 99 HE2 LYS 99 -11.224 6.793 -3.256
812 HE3 LYS 99 HE3 LYS 99 -11.309 8.406 -3.964
813 HZ1 LYS 99 HZ1 LYS 99 -10.438 5.894 -5.271
814 HZ2 LYS 99 HZ2 LYS 99 -10.160 7.428 -5.948
815 HZ3 LYS 99 HZ3 LYS 99 -11.748 6.884 -5.690
816 H LYS 100 H LYS 100 -4.914 9.080 -5.608
817 HA LYS 100 HA LYS 100 -6.551 10.045 -7.724
818 HB2 LYS 100 HB2 LYS 100 -4.882 11.367 -6.334
819 HB3 LYS 100 HB3 LYS 100 -3.616 10.678 -7.343
820 HG2 LYS 100 HG2 LYS 100 -4.737 11.599 -9.357
821 HG3 LYS 100 HG3 LYS 100 -5.954 12.343 -8.320
822 HD2 LYS 100 HD2 LYS 100 -4.117 13.580 -7.144
823 HD3 LYS 100 HD3 LYS 100 -2.982 12.931 -8.328
824 HE2 LYS 100 HE2 LYS 100 -3.503 14.924 -9.369
825 HE3 LYS 100 HE3 LYS 100 -4.779 13.909 -10.041
826 HZ1 LYS 100 HZ1 LYS 100 -5.376 16.162 -8.954
827 HZ2 LYS 100 HZ2 LYS 100 -5.219 15.309 -7.493
828 HZ3 LYS 100 HZ3 LYS 100 -6.352 14.808 -8.655
829 H ALA 101 H ALA 101 -3.492 8.275 -7.768
830 HA ALA 101 HA ALA 101 -3.232 8.222 -10.641
831 HB1 ALA 101 HB1 ALA 101 -1.968 6.783 -8.342
832 HB2 ALA 101 HB2 ALA 101 -1.208 7.692 -9.648
833 HB3 ALA 101 HB3 ALA 101 -1.815 6.063 -9.946
834 H THR 102 H THR 102 -4.424 5.854 -8.258
835 HA THR 102 HA THR 102 -5.254 3.900 -10.181
836 HB THR 102 HB THR 102 -6.475 4.463 -7.458
837 HG1 THR 102 HG1 THR 102 -4.906 2.528 -7.146
838 HG21 THR 102 HG21 THR 102 -7.682 2.583 -7.760
839 HG22 THR 102 HG22 THR 102 -6.278 1.698 -8.357
840 HG23 THR 102 HG23 THR 102 -7.235 2.682 -9.464
841 H GLU 103 H GLU 103 -6.690 6.838 -8.921
842 HA GLU 103 HA GLU 103 -9.373 6.399 -9.836
843 HB2 GLU 103 HB2 GLU 103 -8.686 8.213 -8.253
844 HB3 GLU 103 HB3 GLU 103 -7.906 9.043 -9.600
845 HG2 GLU 103 HG2 GLU 103 -10.095 9.087 -10.795
846 HG3 GLU 103 HG3 GLU 103 -10.852 8.358 -9.377
847 HHA HEC 104 HA HEC 104 2.270 -5.873 0.799
848 HHB HEC 104 HB HEC 104 1.389 0.382 1.033
849 HHC HEC 104 HC HEC 104 7.558 1.192 2.233
850 HHD HEC 104 HD HEC 104 8.433 -5.058 1.890
851 HMA1 HEC 104 1HMA HEC 104 -1.350 -2.141 0.441
852 HMA2 HEC 104 2HMA HEC 104 -0.417 -1.037 -0.570
853 HMA3 HEC 104 3HMA HEC 104 -0.670 -0.670 1.136
854 HAA1 HEC 104 1HAA HEC 104 0.168 -5.491 1.120
855 HAA2 HEC 104 2HAA HEC 104 -0.981 -4.210 1.428
856 HBA1 HEC 104 1HBA HEC 104 -0.341 -4.085 -1.332
857 HBA2 HEC 104 2HBA HEC 104 -1.873 -4.547 -0.593
858 HMB1 HEC 104 1HMB HEC 104 2.129 2.646 2.643
859 HMB2 HEC 104 2HMB HEC 104 3.029 3.727 1.579
860 HMB3 HEC 104 3HMB HEC 104 1.852 2.606 0.902
861 HAB HEC 104 HAB HEC 104 6.727 3.110 1.844
862 HBB1 HEC 104 1HBB HEC 104 6.036 4.456 3.491
863 HBB2 HEC 104 2HBB HEC 104 4.504 3.585 3.530
864 HBB3 HEC 104 3HBB HEC 104 4.686 5.003 2.497
865 HMC1 HEC 104 1HMC HEC 104 9.485 0.378 3.641
866 HMC2 HEC 104 2HMC HEC 104 10.807 -0.583 2.980
867 HMC3 HEC 104 3HMC HEC 104 10.032 0.651 1.986
868 HAC HEC 104 HAC HEC 104 10.337 -4.051 1.562
869 HBC1 HEC 104 1HBC HEC 104 10.603 -2.745 4.109
870 HBC2 HEC 104 2HBC HEC 104 11.402 -4.210 3.539
871 HBC3 HEC 104 3HBC HEC 104 12.134 -2.634 3.240
872 HMD1 HEC 104 1HMD HEC 104 7.609 -7.221 2.699
873 HMD2 HEC 104 2HMD HEC 104 7.859 -7.548 0.983
874 HMD3 HEC 104 3HMD HEC 104 6.587 -8.396 1.867
875 HAD1 HEC 104 1HAD HEC 104 4.921 -8.424 0.160
876 HAD2 HEC 104 2HAD HEC 104 3.359 -7.639 0.114
877 HBD1 HEC 104 1HBD HEC 104 2.743 -8.447 2.156
878 HBD2 HEC 104 2HBD HEC 104 4.386 -8.438 2.783
Start of MODEL 10
1 H1 THR -5 H1 THR -5 -18.223 10.688 6.523
2 H2 THR -5 H2 THR -5 -16.693 11.144 5.942
3 H3 THR -5 H3 THR -5 -16.823 10.178 7.333
4 HA THR -5 HA THR -5 -18.139 8.645 5.616
5 HB THR -5 HB THR -5 -16.605 8.689 3.543
6 HG1 THR -5 HG1 THR -5 -15.851 10.952 4.930
7 HG21 THR -5 HG21 THR -5 -18.986 9.376 3.537
8 HG22 THR -5 HG22 THR -5 -18.020 10.362 2.439
9 HG23 THR -5 HG23 THR -5 -18.504 11.005 4.009
10 H GLU -4 H GLU -4 -16.881 6.658 5.153
11 HA GLU -4 HA GLU -4 -15.077 5.978 7.233
12 HB2 GLU -4 HB2 GLU -4 -16.363 4.342 5.832
13 HB3 GLU -4 HB3 GLU -4 -15.255 4.674 4.500
14 HG2 GLU -4 HG2 GLU -4 -13.352 3.979 5.952
15 HG3 GLU -4 HG3 GLU -4 -14.507 3.554 7.217
16 H PHE -3 H PHE -3 -14.499 7.281 4.008
17 HA PHE -3 HA PHE -3 -11.573 7.102 4.432
18 HB2 PHE -3 HB2 PHE -3 -12.380 6.415 2.239
19 HB3 PHE -3 HB3 PHE -3 -13.200 7.961 2.034
20 HD1 PHE -3 HD2 PHE -3 -11.897 10.056 1.780
21 HD2 PHE -3 HD1 PHE -3 -9.995 6.207 1.933
22 HE1 PHE -3 HE2 PHE -3 -9.814 11.050 0.872
23 HE2 PHE -3 HE1 PHE -3 -7.914 7.203 1.027
24 HZ PHE -3 HZ PHE -3 -7.822 9.622 0.495
25 H LYS -2 H LYS -2 -10.435 8.853 5.115
26 HA LYS -2 HA LYS -2 -11.849 11.471 5.209
27 HB2 LYS -2 HB2 LYS -2 -9.360 10.588 6.695
28 HB3 LYS -2 HB3 LYS -2 -10.254 12.085 6.953
29 HG2 LYS -2 HG2 LYS -2 -11.427 9.314 7.325
30 HG3 LYS -2 HG3 LYS -2 -10.789 10.303 8.637
31 HD2 LYS -2 HD2 LYS -2 -12.423 12.124 7.824
32 HD3 LYS -2 HD3 LYS -2 -13.196 10.839 6.895
33 HE2 LYS -2 HE2 LYS -2 -13.084 11.232 9.848
34 HE3 LYS -2 HE3 LYS -2 -14.407 10.640 8.842
35 HZ1 LYS -2 HZ1 LYS -2 -13.137 8.994 10.336
36 HZ2 LYS -2 HZ2 LYS -2 -11.941 9.056 9.131
37 HZ3 LYS -2 HZ3 LYS -2 -13.511 8.535 8.747
38 H ALA -1 H ALA -1 -10.750 13.360 4.451
39 HA ALA -1 HA ALA -1 -8.830 12.782 2.290
40 HB1 ALA -1 HB1 ALA -1 -9.663 14.641 1.305
41 HB2 ALA -1 HB2 ALA -1 -9.502 15.593 2.781
42 HB3 ALA -1 HB3 ALA -1 -10.920 14.572 2.541
43 H GLY 1 H GLY 1 -7.492 15.291 2.293
44 HA2 GLY 1 HA2 GLY 1 -6.279 16.152 4.648
45 HA3 GLY 1 HA3 GLY 1 -5.361 14.722 4.170
46 H SER 2 H SER 2 -3.712 15.064 2.757
47 HA SER 2 HA SER 2 -3.918 17.201 0.747
48 HB2 SER 2 HB2 SER 2 -1.337 17.570 1.720
49 HB3 SER 2 HB3 SER 2 -2.702 18.653 1.982
50 HG SER 2 HG SER 2 -3.184 17.458 3.864
51 H ALA 3 H ALA 3 -3.500 15.993 -1.044
52 HA ALA 3 HA ALA 3 -1.970 13.576 -1.057
53 HB1 ALA 3 HB1 ALA 3 -2.577 13.457 -3.250
54 HB2 ALA 3 HB2 ALA 3 -2.053 15.108 -3.583
55 HB3 ALA 3 HB3 ALA 3 -3.626 14.814 -2.845
56 H LYS 4 H LYS 4 -1.064 16.920 -1.237
57 HA LYS 4 HA LYS 4 1.414 16.776 -2.582
58 HB2 LYS 4 HB2 LYS 4 0.709 18.452 -0.153
59 HB3 LYS 4 HB3 LYS 4 2.014 18.781 -1.293
60 HG2 LYS 4 HG2 LYS 4 0.550 19.366 -3.013
61 HG3 LYS 4 HG3 LYS 4 -0.791 18.457 -2.318
62 HD2 LYS 4 HD2 LYS 4 0.347 20.778 -0.793
63 HD3 LYS 4 HD3 LYS 4 -0.757 21.086 -2.133
64 HE2 LYS 4 HE2 LYS 4 -2.395 19.504 -1.076
65 HE3 LYS 4 HE3 LYS 4 -1.314 19.373 0.311
66 HZ1 LYS 4 HZ1 LYS 4 -3.045 21.036 0.655
67 HZ2 LYS 4 HZ2 LYS 4 -2.504 21.899 -0.705
68 HZ3 LYS 4 HZ3 LYS 4 -1.503 21.742 0.659
69 H LYS 5 H LYS 5 0.770 16.408 0.926
70 HA LYS 5 HA LYS 5 3.471 15.715 1.591
71 HB2 LYS 5 HB2 LYS 5 0.868 15.108 3.000
72 HB3 LYS 5 HB3 LYS 5 2.462 14.871 3.706
73 HG2 LYS 5 HG2 LYS 5 2.939 17.296 3.339
74 HG3 LYS 5 HG3 LYS 5 1.281 17.499 2.768
75 HD2 LYS 5 HD2 LYS 5 0.466 16.616 4.960
76 HD3 LYS 5 HD3 LYS 5 2.136 16.568 5.524
77 HE2 LYS 5 HE2 LYS 5 1.452 18.654 6.306
78 HE3 LYS 5 HE3 LYS 5 2.168 19.084 4.752
79 HZ1 LYS 5 HZ1 LYS 5 -0.719 18.579 5.239
80 HZ2 LYS 5 HZ2 LYS 5 -0.022 19.013 3.751
81 HZ3 LYS 5 HZ3 LYS 5 -0.006 20.105 5.052
82 H GLY 6 H GLY 6 0.610 13.787 0.791
83 HA2 GLY 6 HA2 GLY 6 1.743 11.223 1.312
84 HA3 GLY 6 HA3 GLY 6 0.403 11.525 0.206
85 H ALA 7 H ALA 7 1.837 13.300 -1.552
86 HA ALA 7 HA ALA 7 2.978 11.397 -3.340
87 HB1 ALA 7 HB1 ALA 7 2.076 13.563 -4.099
88 HB2 ALA 7 HB2 ALA 7 3.747 13.363 -4.626
89 HB3 ALA 7 HB3 ALA 7 3.375 14.402 -3.252
90 H THR 8 H THR 8 4.492 13.681 -1.072
91 HA THR 8 HA THR 8 7.178 12.835 -1.801
92 HB THR 8 HB THR 8 7.903 14.308 -0.036
93 HG1 THR 8 HG1 THR 8 5.875 13.487 1.224
94 HG21 THR 8 HG21 THR 8 7.128 16.305 -0.924
95 HG22 THR 8 HG22 THR 8 5.464 15.729 -1.026
96 HG23 THR 8 HG23 THR 8 6.661 15.179 -2.198
97 H LEU 9 H LEU 9 4.826 11.985 0.694
98 HA LEU 9 HA LEU 9 6.587 10.562 2.424
99 HB2 LEU 9 HB2 LEU 9 4.188 11.180 2.916
100 HB3 LEU 9 HB3 LEU 9 3.696 9.881 1.831
101 HG LEU 9 HG LEU 9 5.038 8.285 3.228
102 HD11 LEU 9 HD11 LEU 9 5.355 9.365 5.651
103 HD12 LEU 9 HD12 LEU 9 5.539 10.839 4.701
104 HD13 LEU 9 HD13 LEU 9 6.618 9.473 4.427
105 HD21 LEU 9 HD21 LEU 9 2.515 9.465 3.743
106 HD22 LEU 9 HD22 LEU 9 3.306 9.282 5.309
107 HD23 LEU 9 HD23 LEU 9 3.079 7.878 4.266
108 H PHE 10 H PHE 10 4.709 9.511 -0.397
109 HA PHE 10 HA PHE 10 5.477 6.761 -0.293
110 HB2 PHE 10 HB2 PHE 10 3.607 7.493 -1.673
111 HB3 PHE 10 HB3 PHE 10 4.679 8.508 -2.637
112 HD1 PHE 10 HD1 PHE 10 6.368 7.487 -4.132
113 HD2 PHE 10 HD2 PHE 10 3.502 5.097 -2.007
114 HE1 PHE 10 HE1 PHE 10 6.854 5.576 -5.635
115 HE2 PHE 10 HE2 PHE 10 3.989 3.183 -3.510
116 HZ PHE 10 HZ PHE 10 5.663 3.424 -5.327
117 H LYS 11 H LYS 11 6.833 9.525 -2.076
118 HA LYS 11 HA LYS 11 8.937 8.067 -3.318
119 HB2 LYS 11 HB2 LYS 11 8.835 10.997 -2.565
120 HB3 LYS 11 HB3 LYS 11 9.940 10.275 -3.728
121 HG2 LYS 11 HG2 LYS 11 6.939 10.082 -4.010
122 HG3 LYS 11 HG3 LYS 11 7.876 11.397 -4.717
123 HD2 LYS 11 HD2 LYS 11 9.308 9.576 -5.818
124 HD3 LYS 11 HD3 LYS 11 8.041 8.444 -5.349
125 HE2 LYS 11 HE2 LYS 11 7.899 10.732 -7.290
126 HE3 LYS 11 HE3 LYS 11 7.355 9.066 -7.493
127 HZ1 LYS 11 HZ1 LYS 11 5.633 9.504 -5.816
128 HZ2 LYS 11 HZ2 LYS 11 5.470 10.495 -7.187
129 HZ3 LYS 11 HZ3 LYS 11 6.120 11.128 -5.751
130 H THR 12 H THR 12 8.722 9.646 -0.173
131 HA THR 12 HA THR 12 11.583 9.219 0.323
132 HB THR 12 HB THR 12 11.149 10.359 2.437
133 HG1 THR 12 HG1 THR 12 9.050 10.932 2.974
134 HG21 THR 12 HG21 THR 12 9.567 12.231 1.046
135 HG22 THR 12 HG22 THR 12 10.541 11.414 -0.176
136 HG23 THR 12 HG23 THR 12 11.325 12.216 1.186
137 H ARG 13 H ARG 13 9.012 7.108 0.445
138 HA ARG 13 HA ARG 13 10.430 5.539 2.534
139 HB2 ARG 13 HB2 ARG 13 7.471 6.167 2.607
140 HB3 ARG 13 HB3 ARG 13 8.274 4.992 3.650
141 HG2 ARG 13 HG2 ARG 13 9.787 6.816 4.458
142 HG3 ARG 13 HG3 ARG 13 8.844 7.967 3.510
143 HD2 ARG 13 HD2 ARG 13 6.798 7.223 4.768
144 HD3 ARG 13 HD3 ARG 13 7.849 6.251 5.798
145 HE ARG 13 HE ARG 13 7.620 9.179 5.843
146 HH11 ARG 13 HH21 ARG 13 9.413 6.340 6.627
147 HH12 ARG 13 HH22 ARG 13 10.301 7.094 7.909
148 HH21 ARG 13 HH11 ARG 13 8.770 10.180 7.513
149 HH22 ARG 13 HH12 ARG 13 9.936 9.267 8.411
150 H CYS 14 H CYS 14 7.388 5.239 0.636
151 HA CYS 14 HA CYS 14 7.710 2.400 0.349
152 HB2 CYS 14 HB2 CYS 14 6.119 3.957 -1.632
153 HB3 CYS 14 HB3 CYS 14 5.730 2.434 -0.838
154 H LEU 15 H LEU 15 8.744 5.087 -1.704
155 HA LEU 15 HA LEU 15 9.253 3.620 -4.060
156 HB2 LEU 15 HB2 LEU 15 9.439 6.039 -4.001
157 HB3 LEU 15 HB3 LEU 15 10.839 5.936 -2.931
158 HG LEU 15 HG LEU 15 12.076 4.711 -4.693
159 HD11 LEU 15 HD11 LEU 15 10.566 3.552 -6.003
160 HD12 LEU 15 HD12 LEU 15 10.834 4.957 -7.034
161 HD13 LEU 15 HD13 LEU 15 9.399 4.874 -6.013
162 HD21 LEU 15 HD21 LEU 15 12.524 6.595 -6.060
163 HD22 LEU 15 HD22 LEU 15 11.932 7.289 -4.550
164 HD23 LEU 15 HD23 LEU 15 10.862 7.175 -5.947
165 H GLN 16 H GLN 16 11.206 3.881 -1.119
166 HA GLN 16 HA GLN 16 13.612 2.772 -2.058
167 HB2 GLN 16 HB2 GLN 16 13.183 3.666 0.258
168 HB3 GLN 16 HB3 GLN 16 12.353 2.153 0.627
169 HG2 GLN 16 HG2 GLN 16 14.392 0.888 0.094
170 HG3 GLN 16 HG3 GLN 16 15.227 2.388 -0.312
171 HE21 GLN 16 HE21 GLN 16 16.403 0.935 1.699
172 HE22 GLN 16 HE22 GLN 16 16.111 1.643 3.214
173 H CYS 17 H CYS 17 10.656 1.071 -1.001
174 HA CYS 17 HA CYS 17 11.910 -1.491 -1.897
175 HB2 CYS 17 HB2 CYS 17 9.490 -0.948 -0.169
176 HB3 CYS 17 HB3 CYS 17 9.998 -2.554 -0.675
177 H HIS 18 H HIS 18 8.974 0.467 -2.224
178 HA HIS 18 HA HIS 18 8.020 -1.335 -4.352
179 HB2 HIS 18 HB2 HIS 18 6.753 1.071 -3.041
180 HB3 HIS 18 HB3 HIS 18 5.990 0.121 -4.313
181 HD1 HIS 18 HD1 HIS 18 5.934 -2.617 -3.674
182 HD2 HIS 18 HD2 HIS 18 6.155 0.128 -0.543
183 HE1 HIS 18 HE1 HIS 18 5.069 -3.810 -1.601
184 H THR 19 H THR 19 7.427 -0.587 -6.415
185 HA THR 19 HA THR 19 8.694 1.988 -7.253
186 HB THR 19 HB THR 19 8.396 -0.397 -9.058
187 HG1 THR 19 HG1 THR 19 9.945 -1.274 -7.952
188 HG21 THR 19 HG21 THR 19 9.051 2.261 -9.492
189 HG22 THR 19 HG22 THR 19 9.382 0.923 -10.595
190 HG23 THR 19 HG23 THR 19 10.617 1.452 -9.453
191 H VAL 20 H VAL 20 7.348 3.272 -8.512
192 HA VAL 20 HA VAL 20 4.531 2.751 -8.445
193 HB VAL 20 HB VAL 20 6.042 4.690 -10.214
194 HG11 VAL 20 HG11 VAL 20 3.491 5.575 -9.196
195 HG12 VAL 20 HG12 VAL 20 3.301 4.035 -10.035
196 HG13 VAL 20 HG13 VAL 20 4.016 5.413 -10.872
197 HG21 VAL 20 HG21 VAL 20 5.849 6.268 -8.396
198 HG22 VAL 20 HG22 VAL 20 6.596 4.800 -7.761
199 HG23 VAL 20 HG23 VAL 20 4.891 5.129 -7.448
200 H GLU 21 H GLU 21 6.994 2.209 -10.930
201 HA GLU 21 HA GLU 21 5.367 1.799 -13.178
202 HB2 GLU 21 HB2 GLU 21 7.818 0.218 -12.343
203 HB3 GLU 21 HB3 GLU 21 7.123 0.227 -13.964
204 HG2 GLU 21 HG2 GLU 21 7.466 2.684 -14.077
205 HG3 GLU 21 HG3 GLU 21 8.221 2.634 -12.484
206 H LYS 22 H LYS 22 4.175 0.038 -13.963
207 HA LYS 22 HA LYS 22 2.775 -1.585 -12.115
208 HB2 LYS 22 HB2 LYS 22 3.305 -2.037 -15.069
209 HB3 LYS 22 HB3 LYS 22 2.128 -2.944 -14.120
210 HG2 LYS 22 HG2 LYS 22 0.965 -0.822 -13.566
211 HG3 LYS 22 HG3 LYS 22 2.114 0.054 -14.579
212 HD2 LYS 22 HD2 LYS 22 1.411 -1.365 -16.517
213 HD3 LYS 22 HD3 LYS 22 0.182 -2.099 -15.486
214 HE2 LYS 22 HE2 LYS 22 0.387 0.800 -16.332
215 HE3 LYS 22 HE3 LYS 22 -0.909 -0.338 -16.699
216 HZ1 LYS 22 HZ1 LYS 22 -1.007 -0.476 -14.098
217 HZ2 LYS 22 HZ2 LYS 22 -1.817 0.755 -14.942
218 HZ3 LYS 22 HZ3 LYS 22 -0.320 1.071 -14.201
219 H GLY 23 H GLY 23 5.773 -2.165 -13.872
220 HA2 GLY 23 HA2 GLY 23 6.114 -4.680 -12.285
221 HA3 GLY 23 HA3 GLY 23 6.605 -4.584 -13.977
222 H GLY 24 H GLY 24 7.988 -4.746 -11.130
223 HA2 GLY 24 HA2 GLY 24 10.188 -2.880 -11.900
224 HA3 GLY 24 HA3 GLY 24 9.622 -2.938 -10.230
225 HA PRO 25 HA PRO 25 13.062 -6.132 -11.240
226 HB2 PRO 25 HB2 PRO 25 14.726 -5.095 -9.232
227 HB3 PRO 25 HB3 PRO 25 14.907 -4.822 -10.973
228 HG2 PRO 25 HG2 PRO 25 13.729 -3.071 -8.897
229 HG3 PRO 25 HG3 PRO 25 14.608 -2.646 -10.376
230 HD2 PRO 25 HD2 PRO 25 11.910 -2.385 -10.172
231 HD3 PRO 25 HD3 PRO 25 12.712 -2.787 -11.708
232 H HIS 26 H HIS 26 11.323 -4.913 -8.506
233 HA HIS 26 HA HIS 26 10.589 -5.940 -6.536
234 HB2 HIS 26 HB2 HIS 26 11.303 -8.523 -7.952
235 HB3 HIS 26 HB3 HIS 26 10.142 -8.316 -6.650
236 HD1 HIS 26 HD1 HIS 26 8.265 -6.259 -7.395
237 HD2 HIS 26 HD2 HIS 26 9.976 -8.677 -10.320
238 HE1 HIS 26 HE1 HIS 26 6.741 -6.121 -9.419
239 HE2 HIS 26 HE2 HIS 26 7.788 -7.574 -11.215
240 H LYS 27 H LYS 27 13.370 -5.146 -6.683
241 HA LYS 27 HA LYS 27 15.189 -7.129 -5.804
242 HB2 LYS 27 HB2 LYS 27 15.829 -4.812 -6.458
243 HB3 LYS 27 HB3 LYS 27 15.113 -4.217 -4.959
244 HG2 LYS 27 HG2 LYS 27 16.660 -5.665 -3.668
245 HG3 LYS 27 HG3 LYS 27 17.406 -6.189 -5.178
246 HD2 LYS 27 HD2 LYS 27 17.936 -3.786 -5.678
247 HD3 LYS 27 HD3 LYS 27 17.336 -3.367 -4.074
248 HE2 LYS 27 HE2 LYS 27 19.028 -5.320 -3.362
249 HE3 LYS 27 HE3 LYS 27 19.829 -4.810 -4.849
250 HZ1 LYS 27 HZ1 LYS 27 19.263 -3.228 -2.424
251 HZ2 LYS 27 HZ2 LYS 27 19.537 -2.466 -3.917
252 HZ3 LYS 27 HZ3 LYS 27 20.740 -3.449 -3.228
253 H VAL 28 H VAL 28 13.072 -4.996 -3.859
254 HA VAL 28 HA VAL 28 13.802 -6.546 -1.444
255 HB VAL 28 HB VAL 28 11.907 -4.207 -1.632
256 HG11 VAL 28 HG11 VAL 28 11.702 -5.399 0.444
257 HG12 VAL 28 HG12 VAL 28 12.672 -3.963 0.775
258 HG13 VAL 28 HG13 VAL 28 13.453 -5.534 0.605
259 HG21 VAL 28 HG21 VAL 28 14.899 -4.226 -1.133
260 HG22 VAL 28 HG22 VAL 28 13.853 -2.815 -0.979
261 HG23 VAL 28 HG23 VAL 28 14.097 -3.564 -2.556
262 H GLY 29 H GLY 29 10.717 -5.378 -2.842
263 HA2 GLY 29 HA2 GLY 29 9.537 -8.033 -2.149
264 HA3 GLY 29 HA3 GLY 29 8.684 -6.539 -1.756
265 HA PRO 30 HA PRO 30 7.634 -8.164 -6.141
266 HB2 PRO 30 HB2 PRO 30 4.884 -7.962 -5.129
267 HB3 PRO 30 HB3 PRO 30 5.659 -9.294 -5.993
268 HG2 PRO 30 HG2 PRO 30 5.035 -9.371 -3.355
269 HG3 PRO 30 HG3 PRO 30 6.352 -10.301 -4.082
270 HD2 PRO 30 HD2 PRO 30 6.488 -7.901 -2.344
271 HD3 PRO 30 HD3 PRO 30 7.686 -9.185 -2.603
272 H ASN 31 H ASN 31 7.873 -5.434 -4.700
273 HA ASN 31 HA ASN 31 7.314 -3.236 -5.171
274 HB2 ASN 31 HB2 ASN 31 6.597 -4.481 -7.834
275 HB3 ASN 31 HB3 ASN 31 6.750 -2.750 -7.544
276 HD21 ASN 31 HD21 ASN 31 9.001 -2.999 -5.667
277 HD22 ASN 31 HD22 ASN 31 10.358 -3.435 -6.594
278 H LEU 32 H LEU 32 5.007 -2.820 -7.236
279 HA LEU 32 HA LEU 32 2.617 -3.842 -6.044
280 HB2 LEU 32 HB2 LEU 32 3.701 -2.173 -4.270
281 HB3 LEU 32 HB3 LEU 32 2.960 -0.956 -5.298
282 HG LEU 32 HG LEU 32 0.784 -2.189 -5.095
283 HD11 LEU 32 HD11 LEU 32 1.012 -4.347 -4.406
284 HD12 LEU 32 HD12 LEU 32 1.073 -3.661 -2.784
285 HD13 LEU 32 HD13 LEU 32 2.567 -4.033 -3.639
286 HD21 LEU 32 HD21 LEU 32 2.211 -0.692 -3.045
287 HD22 LEU 32 HD22 LEU 32 1.003 -1.762 -2.336
288 HD23 LEU 32 HD23 LEU 32 0.524 -0.568 -3.542
289 H HIS 33 H HIS 33 1.550 -0.885 -6.337
290 HA HIS 33 HA HIS 33 0.508 0.355 -8.006
291 HB2 HIS 33 HB2 HIS 33 2.956 0.569 -8.716
292 HB3 HIS 33 HB3 HIS 33 2.622 -0.708 -9.889
293 HD1 HIS 33 HD1 HIS 33 0.558 2.336 -8.842
294 HD2 HIS 33 HD2 HIS 33 2.168 0.609 -12.280
295 HE1 HIS 33 HE1 HIS 33 -0.223 3.755 -10.793
296 HE2 HIS 33 HE2 HIS 33 0.744 2.707 -12.890
297 H GLY 34 H GLY 34 -1.416 -0.318 -8.772
298 HA2 GLY 34 HA2 GLY 34 -2.692 -1.349 -10.568
299 HA3 GLY 34 HA3 GLY 34 -1.443 -2.581 -10.698
300 H ILE 35 H ILE 35 -1.888 -2.250 -7.447
301 HA ILE 35 HA ILE 35 -3.520 -4.684 -7.382
302 HB ILE 35 HB ILE 35 -3.075 -4.698 -4.984
303 HG12 ILE 35 HG12 ILE 35 -1.655 -2.052 -5.420
304 HG13 ILE 35 HG13 ILE 35 -3.257 -2.192 -4.701
305 HG21 ILE 35 HG21 ILE 35 -1.280 -5.133 -6.934
306 HG22 ILE 35 HG22 ILE 35 -0.881 -5.311 -5.226
307 HG23 ILE 35 HG23 ILE 35 -0.449 -3.831 -6.082
308 HD11 ILE 35 HD11 ILE 35 -1.060 -3.869 -3.571
309 HD12 ILE 35 HD12 ILE 35 -2.464 -3.171 -2.769
310 HD13 ILE 35 HD13 ILE 35 -1.087 -2.150 -3.179
311 H PHE 36 H PHE 36 -4.080 -1.281 -7.019
312 HA PHE 36 HA PHE 36 -6.349 -1.351 -5.296
313 HB2 PHE 36 HB2 PHE 36 -5.386 0.503 -7.446
314 HB3 PHE 36 HB3 PHE 36 -7.033 0.695 -6.852
315 HD1 PHE 36 HD1 PHE 36 -3.591 0.097 -5.430
316 HD2 PHE 36 HD2 PHE 36 -7.341 2.162 -5.080
317 HE1 PHE 36 HE1 PHE 36 -2.743 1.304 -3.442
318 HE2 PHE 36 HE2 PHE 36 -6.490 3.372 -3.093
319 HZ PHE 36 HZ PHE 36 -4.190 2.941 -2.271
320 H GLY 37 H GLY 37 -8.370 -2.182 -5.631
321 HA2 GLY 37 HA2 GLY 37 -10.283 -2.926 -6.813
322 HA3 GLY 37 HA3 GLY 37 -9.543 -2.333 -8.305
323 H ARG 38 H ARG 38 -7.725 -4.414 -6.206
324 HA ARG 38 HA ARG 38 -8.323 -6.790 -7.889
325 HB2 ARG 38 HB2 ARG 38 -6.347 -5.539 -8.848
326 HB3 ARG 38 HB3 ARG 38 -5.508 -5.806 -7.325
327 HG2 ARG 38 HG2 ARG 38 -4.867 -7.499 -8.998
328 HG3 ARG 38 HG3 ARG 38 -5.693 -8.245 -7.637
329 HD2 ARG 38 HD2 ARG 38 -6.372 -8.839 -10.132
330 HD3 ARG 38 HD3 ARG 38 -7.599 -8.711 -8.874
331 HE ARG 38 HE ARG 38 -7.044 -6.213 -10.322
332 HH11 ARG 38 HH21 ARG 38 -8.894 -9.105 -10.006
333 HH12 ARG 38 HH22 ARG 38 -10.252 -8.490 -10.889
334 HH21 ARG 38 HH11 ARG 38 -8.806 -5.394 -11.477
335 HH22 ARG 38 HH12 ARG 38 -10.201 -6.390 -11.721
336 H HIS 39 H HIS 39 -7.278 -8.793 -6.847
337 HA HIS 39 HA HIS 39 -7.702 -8.624 -3.938
338 HB2 HIS 39 HB2 HIS 39 -7.376 -10.846 -5.923
339 HB3 HIS 39 HB3 HIS 39 -7.093 -11.176 -4.215
340 HD1 HIS 39 HD1 HIS 39 -9.798 -9.900 -6.544
341 HD2 HIS 39 HD2 HIS 39 -9.416 -11.326 -2.649
342 HE1 HIS 39 HE1 HIS 39 -12.152 -10.199 -5.659
343 HE2 HIS 39 HE2 HIS 39 -11.930 -11.067 -3.287
344 H SER 40 H SER 40 -6.109 -8.904 -2.392
345 HA SER 40 HA SER 40 -3.449 -8.129 -3.057
346 HB2 SER 40 HB2 SER 40 -4.695 -8.082 -0.761
347 HB3 SER 40 HB3 SER 40 -4.093 -9.725 -0.588
348 HG SER 40 HG SER 40 -1.982 -8.831 -1.048
349 H GLY 41 H GLY 41 -1.600 -9.312 -3.390
350 HA2 GLY 41 HA2 GLY 41 -0.297 -11.343 -3.341
351 HA3 GLY 41 HA3 GLY 41 -1.791 -12.266 -3.241
352 H GLN 42 H GLN 42 -2.408 -9.974 -5.501
353 HA GLN 42 HA GLN 42 -1.655 -11.856 -7.690
354 HB2 GLN 42 HB2 GLN 42 -3.760 -9.677 -7.548
355 HB3 GLN 42 HB3 GLN 42 -3.402 -10.620 -8.998
356 HG2 GLN 42 HG2 GLN 42 -3.938 -12.696 -7.806
357 HG3 GLN 42 HG3 GLN 42 -4.251 -11.782 -6.330
358 HE21 GLN 42 HE21 GLN 42 -6.315 -13.369 -7.470
359 HE22 GLN 42 HE22 GLN 42 -7.518 -12.344 -8.090
360 H ALA 43 H ALA 43 0.116 -11.282 -8.808
361 HA ALA 43 HA ALA 43 0.463 -8.461 -9.617
362 HB1 ALA 43 HB1 ALA 43 1.971 -8.153 -7.936
363 HB2 ALA 43 HB2 ALA 43 3.049 -9.081 -8.978
364 HB3 ALA 43 HB3 ALA 43 2.174 -9.885 -7.675
365 H GLU 44 H GLU 44 1.537 -8.287 -11.600
366 HA GLU 44 HA GLU 44 1.831 -10.792 -13.105
367 HB2 GLU 44 HB2 GLU 44 0.758 -8.766 -14.108
368 HB3 GLU 44 HB3 GLU 44 2.313 -7.937 -14.007
369 HG2 GLU 44 HG2 GLU 44 3.322 -9.735 -15.411
370 HG3 GLU 44 HG3 GLU 44 1.723 -10.462 -15.579
371 H GLY 45 H GLY 45 3.897 -8.066 -12.104
372 HA2 GLY 45 HA2 GLY 45 6.302 -8.959 -13.307
373 HA3 GLY 45 HA3 GLY 45 6.224 -7.947 -11.862
374 H TYR 46 H TYR 46 5.010 -9.634 -10.040
375 HA TYR 46 HA TYR 46 6.410 -12.206 -10.067
376 HB2 TYR 46 HB2 TYR 46 8.222 -10.954 -9.185
377 HB3 TYR 46 HB3 TYR 46 7.156 -9.966 -8.187
378 HD1 TYR 46 HD2 TYR 46 7.388 -13.693 -8.664
379 HD2 TYR 46 HD1 TYR 46 7.656 -10.381 -5.947
380 HE1 TYR 46 HE2 TYR 46 7.672 -15.262 -6.769
381 HE2 TYR 46 HE1 TYR 46 7.939 -11.942 -4.056
382 HH TYR 46 HH TYR 46 8.367 -14.094 -3.500
383 H SER 47 H SER 47 5.649 -13.642 -8.394
384 HA SER 47 HA SER 47 2.933 -12.931 -7.483
385 HB2 SER 47 HB2 SER 47 3.684 -15.209 -8.510
386 HB3 SER 47 HB3 SER 47 4.345 -15.536 -6.910
387 HG SER 47 HG SER 47 1.873 -15.837 -7.692
388 H TYR 48 H TYR 48 2.519 -12.318 -5.410
389 HA TYR 48 HA TYR 48 4.527 -11.580 -3.592
390 HB2 TYR 48 HB2 TYR 48 1.659 -12.364 -3.063
391 HB3 TYR 48 HB3 TYR 48 2.700 -11.577 -1.886
392 HD1 TYR 48 HD1 TYR 48 1.199 -11.174 -5.276
393 HD2 TYR 48 HD2 TYR 48 3.076 -9.238 -1.934
394 HE1 TYR 48 HE1 TYR 48 0.655 -8.960 -6.251
395 HE2 TYR 48 HE2 TYR 48 2.536 -7.025 -2.912
396 HH TYR 48 HH TYR 48 0.808 -6.100 -4.519
397 H THR 49 H THR 49 4.286 -12.596 -1.163
398 HA THR 49 HA THR 49 5.615 -15.155 -1.325
399 HB THR 49 HB THR 49 4.411 -13.810 1.112
400 HG1 THR 49 HG1 THR 49 6.463 -13.126 -0.484
401 HG21 THR 49 HG21 THR 49 5.270 -15.531 2.273
402 HG22 THR 49 HG22 THR 49 6.851 -15.279 1.533
403 HG23 THR 49 HG23 THR 49 5.666 -16.319 0.745
404 H ASP 50 H ASP 50 4.811 -17.209 -0.741
405 HA ASP 50 HA ASP 50 2.219 -17.914 -1.486
406 HB2 ASP 50 HB2 ASP 50 4.130 -19.495 -1.017
407 HB3 ASP 50 HB3 ASP 50 3.787 -19.301 0.703
408 H ALA 51 H ALA 51 3.350 -16.878 1.724
409 HA ALA 51 HA ALA 51 0.915 -17.441 3.117
410 HB1 ALA 51 HB1 ALA 51 3.287 -16.686 3.996
411 HB2 ALA 51 HB2 ALA 51 1.835 -16.252 4.897
412 HB3 ALA 51 HB3 ALA 51 2.602 -15.068 3.839
413 H ASN 52 H ASN 52 2.102 -14.393 1.683
414 HA ASN 52 HA ASN 52 -0.279 -12.889 2.153
415 HB2 ASN 52 HB2 ASN 52 1.851 -11.831 1.504
416 HB3 ASN 52 HB3 ASN 52 1.767 -12.613 -0.075
417 HD21 ASN 52 HD21 ASN 52 1.880 -9.991 -0.448
418 HD22 ASN 52 HD22 ASN 52 0.351 -9.294 -0.717
419 H ILE 53 H ILE 53 0.738 -14.875 -0.614
420 HA ILE 53 HA ILE 53 -1.554 -14.300 -2.236
421 HB ILE 53 HB ILE 53 0.220 -16.744 -2.217
422 HG12 ILE 53 HG12 ILE 53 0.330 -14.221 -3.897
423 HG13 ILE 53 HG13 ILE 53 1.394 -14.563 -2.534
424 HG21 ILE 53 HG21 ILE 53 -0.563 -16.995 -4.558
425 HG22 ILE 53 HG22 ILE 53 -1.661 -15.636 -4.322
426 HG23 ILE 53 HG23 ILE 53 -1.894 -17.126 -3.409
427 HD11 ILE 53 HD11 ILE 53 2.274 -16.538 -3.654
428 HD12 ILE 53 HD12 ILE 53 2.421 -15.153 -4.733
429 HD13 ILE 53 HD13 ILE 53 1.133 -16.330 -4.983
430 H LYS 54 H LYS 54 -0.904 -16.826 0.178
431 HA LYS 54 HA LYS 54 -3.222 -18.396 -0.260
432 HB2 LYS 54 HB2 LYS 54 -1.380 -19.044 1.270
433 HB3 LYS 54 HB3 LYS 54 -1.885 -17.773 2.382
434 HG2 LYS 54 HG2 LYS 54 -4.113 -18.835 2.573
435 HG3 LYS 54 HG3 LYS 54 -3.572 -20.132 1.506
436 HD2 LYS 54 HD2 LYS 54 -1.728 -20.624 3.134
437 HD3 LYS 54 HD3 LYS 54 -2.432 -19.431 4.226
438 HE2 LYS 54 HE2 LYS 54 -3.320 -21.519 4.941
439 HE3 LYS 54 HE3 LYS 54 -4.617 -20.760 4.017
440 HZ1 LYS 54 HZ1 LYS 54 -4.584 -22.429 2.585
441 HZ2 LYS 54 HZ2 LYS 54 -3.444 -23.227 3.562
442 HZ3 LYS 54 HZ3 LYS 54 -2.926 -22.224 2.293
443 H LYS 55 H LYS 55 -2.739 -15.502 1.732
444 HA LYS 55 HA LYS 55 -5.677 -15.366 2.186
445 HB2 LYS 55 HB2 LYS 55 -3.332 -13.984 3.521
446 HB3 LYS 55 HB3 LYS 55 -5.014 -13.636 3.892
447 HG2 LYS 55 HG2 LYS 55 -5.340 -16.058 4.451
448 HG3 LYS 55 HG3 LYS 55 -3.610 -16.300 4.211
449 HD2 LYS 55 HD2 LYS 55 -3.176 -14.556 5.956
450 HD3 LYS 55 HD3 LYS 55 -4.913 -14.484 6.255
451 HE2 LYS 55 HE2 LYS 55 -4.091 -17.233 6.279
452 HE3 LYS 55 HE3 LYS 55 -3.037 -16.316 7.355
453 HZ1 LYS 55 HZ1 LYS 55 -4.872 -15.523 8.568
454 HZ2 LYS 55 HZ2 LYS 55 -5.153 -17.186 8.361
455 HZ3 LYS 55 HZ3 LYS 55 -5.987 -16.055 7.405
456 H ASN 56 H ASN 56 -6.763 -14.000 0.817
457 HA ASN 56 HA ASN 56 -5.439 -11.465 0.040
458 HB2 ASN 56 HB2 ASN 56 -5.998 -11.779 -2.325
459 HB3 ASN 56 HB3 ASN 56 -4.913 -13.053 -1.770
460 HD21 ASN 56 HD21 ASN 56 -6.510 -13.551 -4.032
461 HD22 ASN 56 HD22 ASN 56 -7.726 -14.670 -3.637
462 H VAL 57 H VAL 57 -6.907 -9.838 -0.633
463 HA VAL 57 HA VAL 57 -9.798 -10.437 -0.450
464 HB VAL 57 HB VAL 57 -8.406 -8.300 1.181
465 HG11 VAL 57 HG11 VAL 57 -10.763 -8.109 2.171
466 HG12 VAL 57 HG12 VAL 57 -11.311 -9.036 0.775
467 HG13 VAL 57 HG13 VAL 57 -10.547 -7.462 0.545
468 HG21 VAL 57 HG21 VAL 57 -8.026 -10.345 2.307
469 HG22 VAL 57 HG22 VAL 57 -9.610 -10.981 1.863
470 HG23 VAL 57 HG23 VAL 57 -9.479 -9.706 3.075
471 H LEU 58 H LEU 58 -11.010 -9.106 -1.832
472 HA LEU 58 HA LEU 58 -9.791 -7.773 -3.971
473 HB2 LEU 58 HB2 LEU 58 -12.224 -8.256 -3.862
474 HB3 LEU 58 HB3 LEU 58 -12.402 -6.995 -2.644
475 HG LEU 58 HG LEU 58 -11.450 -5.349 -4.285
476 HD11 LEU 58 HD11 LEU 58 -10.320 -6.294 -6.012
477 HD12 LEU 58 HD12 LEU 58 -11.910 -6.547 -6.734
478 HD13 LEU 58 HD13 LEU 58 -11.141 -7.843 -5.817
479 HD21 LEU 58 HD21 LEU 58 -13.730 -5.105 -4.313
480 HD22 LEU 58 HD22 LEU 58 -14.013 -6.824 -4.591
481 HD23 LEU 58 HD23 LEU 58 -13.557 -5.776 -5.936
482 H TRP 59 H TRP 59 -9.071 -5.621 -4.281
483 HA TRP 59 HA TRP 59 -8.576 -4.194 -1.746
484 HB2 TRP 59 HB2 TRP 59 -7.231 -4.212 -4.418
485 HB3 TRP 59 HB3 TRP 59 -7.020 -2.829 -3.346
486 HD1 TRP 59 HD1 TRP 59 -5.370 -5.925 -4.089
487 HE1 TRP 59 HE1 TRP 59 -3.983 -6.781 -2.090
488 HE3 TRP 59 HE3 TRP 59 -7.346 -3.075 -0.340
489 HZ2 TRP 59 HZ2 TRP 59 -3.762 -6.334 0.718
490 HZ3 TRP 59 HZ3 TRP 59 -6.535 -3.311 1.969
491 HH2 TRP 59 HH2 TRP 59 -4.748 -4.944 2.515
492 H ASP 60 H ASP 60 -9.185 -2.114 -1.379
493 HA ASP 60 HA ASP 60 -10.576 -0.572 -3.478
494 HB2 ASP 60 HB2 ASP 60 -12.296 -2.036 -2.306
495 HB3 ASP 60 HB3 ASP 60 -11.928 -1.150 -0.827
496 H GLU 61 H GLU 61 -11.157 1.674 -2.483
497 HA GLU 61 HA GLU 61 -8.805 2.833 -1.396
498 HB2 GLU 61 HB2 GLU 61 -11.665 3.836 -1.313
499 HB3 GLU 61 HB3 GLU 61 -10.247 4.817 -0.941
500 HG2 GLU 61 HG2 GLU 61 -9.362 4.392 -3.209
501 HG3 GLU 61 HG3 GLU 61 -10.800 3.441 -3.584
502 H ASN 62 H ASN 62 -11.777 1.731 0.215
503 HA ASN 62 HA ASN 62 -10.949 2.661 2.831
504 HB2 ASN 62 HB2 ASN 62 -13.001 0.565 2.058
505 HB3 ASN 62 HB3 ASN 62 -12.833 1.292 3.657
506 HD21 ASN 62 HD21 ASN 62 -12.369 4.000 2.944
507 HD22 ASN 62 HD22 ASN 62 -13.756 4.611 2.168
508 H ASN 63 H ASN 63 -10.887 -0.535 1.233
509 HA ASN 63 HA ASN 63 -9.839 -1.956 3.475
510 HB2 ASN 63 HB2 ASN 63 -9.605 -2.505 0.507
511 HB3 ASN 63 HB3 ASN 63 -9.171 -3.652 1.771
512 HD21 ASN 63 HD21 ASN 63 -11.255 -4.254 -0.087
513 HD22 ASN 63 HD22 ASN 63 -12.737 -4.273 0.751
514 H MET 64 H MET 64 -8.194 -0.375 0.739
515 HA MET 64 HA MET 64 -5.566 -1.220 1.410
516 HB2 MET 64 HB2 MET 64 -6.590 1.227 -0.044
517 HB3 MET 64 HB3 MET 64 -4.876 0.856 0.103
518 HG2 MET 64 HG2 MET 64 -6.944 -1.003 -1.093
519 HG3 MET 64 HG3 MET 64 -5.843 -0.000 -2.018
520 HE1 MET 64 HE1 MET 64 -2.941 -0.448 -0.062
521 HE2 MET 64 HE2 MET 64 -3.516 0.174 -1.607
522 HE3 MET 64 HE3 MET 64 -2.450 -1.228 -1.572
523 H SER 65 H SER 65 -7.476 1.534 2.582
524 HA SER 65 HA SER 65 -5.362 2.885 3.932
525 HB2 SER 65 HB2 SER 65 -7.097 3.987 5.208
526 HB3 SER 65 HB3 SER 65 -7.701 3.769 3.567
527 HG SER 65 HG SER 65 -8.579 2.710 5.926
528 H GLU 66 H GLU 66 -7.392 0.151 4.913
529 HA GLU 66 HA GLU 66 -6.535 0.070 7.647
530 HB2 GLU 66 HB2 GLU 66 -7.495 -2.149 5.815
531 HB3 GLU 66 HB3 GLU 66 -7.296 -2.310 7.560
532 HG2 GLU 66 HG2 GLU 66 -8.900 -0.441 7.895
533 HG3 GLU 66 HG3 GLU 66 -9.137 -0.358 6.148
534 H TYR 67 H TYR 67 -5.209 -1.343 4.674
535 HA TYR 67 HA TYR 67 -3.220 -2.967 5.936
536 HB2 TYR 67 HB2 TYR 67 -3.876 -3.125 3.522
537 HB3 TYR 67 HB3 TYR 67 -3.018 -1.611 3.234
538 HD1 TYR 67 HD2 TYR 67 -2.651 -5.165 4.172
539 HD2 TYR 67 HD1 TYR 67 -0.597 -1.490 3.310
540 HE1 TYR 67 HE2 TYR 67 -0.505 -6.400 4.023
541 HE2 TYR 67 HE1 TYR 67 1.548 -2.728 3.165
542 HH TYR 67 HH TYR 67 1.682 -6.251 3.711
543 H LEU 68 H LEU 68 -3.186 0.423 4.861
544 HA LEU 68 HA LEU 68 -0.445 0.951 5.229
545 HB2 LEU 68 HB2 LEU 68 -2.769 2.800 5.843
546 HB3 LEU 68 HB3 LEU 68 -1.107 3.288 5.515
547 HG LEU 68 HG LEU 68 -2.897 1.790 3.588
548 HD11 LEU 68 HD11 LEU 68 -1.846 4.462 2.910
549 HD12 LEU 68 HD12 LEU 68 -3.031 4.446 4.217
550 HD13 LEU 68 HD13 LEU 68 -3.448 3.778 2.640
551 HD21 LEU 68 HD21 LEU 68 -0.805 1.138 2.886
552 HD22 LEU 68 HD22 LEU 68 -0.015 2.526 3.632
553 HD23 LEU 68 HD23 LEU 68 -0.861 2.715 2.096
554 H THR 69 H THR 69 -3.072 0.792 7.602
555 HA THR 69 HA THR 69 -1.702 1.840 9.838
556 HB THR 69 HB THR 69 -3.609 -0.518 9.846
557 HG1 THR 69 HG1 THR 69 -4.209 1.546 8.715
558 HG21 THR 69 HG21 THR 69 -2.237 0.900 11.888
559 HG22 THR 69 HG22 THR 69 -3.467 -0.350 12.075
560 HG23 THR 69 HG23 THR 69 -3.939 1.348 11.986
561 H ASN 70 H ASN 70 -1.655 -1.416 8.431
562 HA ASN 70 HA ASN 70 0.936 -1.909 9.766
563 HB2 ASN 70 HB2 ASN 70 -1.226 -2.810 11.083
564 HB3 ASN 70 HB3 ASN 70 -1.043 -4.138 9.940
565 HD21 ASN 70 HD21 ASN 70 -0.362 -5.579 11.715
566 HD22 ASN 70 HD22 ASN 70 1.199 -5.451 12.382
567 H HIS 71 H HIS 71 2.261 -3.194 8.455
568 HA HIS 71 HA HIS 71 1.498 -3.569 5.732
569 HB2 HIS 71 HB2 HIS 71 3.857 -4.078 7.361
570 HB3 HIS 71 HB3 HIS 71 3.605 -5.343 6.156
571 HD1 HIS 71 HD1 HIS 71 3.988 -1.582 6.436
572 HD2 HIS 71 HD2 HIS 71 4.141 -4.553 3.503
573 HE1 HIS 71 HE1 HIS 71 4.792 -0.460 4.310
574 H ALA 72 H ALA 72 -0.002 -5.074 8.068
575 HA ALA 72 HA ALA 72 -0.774 -7.330 6.446
576 HB1 ALA 72 HB1 ALA 72 0.155 -9.129 7.743
577 HB2 ALA 72 HB2 ALA 72 0.811 -8.003 8.930
578 HB3 ALA 72 HB3 ALA 72 1.483 -8.057 7.301
579 H LYS 73 H LYS 73 -1.974 -5.159 8.009
580 HA LYS 73 HA LYS 73 -3.065 -6.024 10.478
581 HB2 LYS 73 HB2 LYS 73 -3.241 -3.700 9.563
582 HB3 LYS 73 HB3 LYS 73 -4.421 -4.285 8.393
583 HG2 LYS 73 HG2 LYS 73 -5.763 -3.443 10.134
584 HG3 LYS 73 HG3 LYS 73 -5.712 -5.171 10.474
585 HD2 LYS 73 HD2 LYS 73 -4.010 -4.861 12.161
586 HD3 LYS 73 HD3 LYS 73 -3.811 -3.166 11.716
587 HE2 LYS 73 HE2 LYS 73 -5.252 -3.655 13.788
588 HE3 LYS 73 HE3 LYS 73 -5.947 -2.579 12.573
589 HZ1 LYS 73 HZ1 LYS 73 -7.525 -4.271 13.292
590 HZ2 LYS 73 HZ2 LYS 73 -6.464 -5.497 12.785
591 HZ3 LYS 73 HZ3 LYS 73 -7.154 -4.442 11.645
592 H TYR 74 H TYR 74 -4.244 -6.526 7.152
593 HA TYR 74 HA TYR 74 -6.268 -8.433 8.263
594 HB2 TYR 74 HB2 TYR 74 -6.248 -6.670 5.826
595 HB3 TYR 74 HB3 TYR 74 -7.255 -8.117 5.864
596 HD1 TYR 74 HD1 TYR 74 -6.495 -4.972 7.729
597 HD2 TYR 74 HD2 TYR 74 -9.307 -8.139 7.027
598 HE1 TYR 74 HE1 TYR 74 -8.190 -3.766 9.079
599 HE2 TYR 74 HE2 TYR 74 -11.004 -6.934 8.374
600 HH TYR 74 HH TYR 74 -11.515 -4.946 9.331
601 H ILE 75 H ILE 75 -3.262 -8.624 7.192
602 HA ILE 75 HA ILE 75 -3.807 -11.144 5.678
603 HB ILE 75 HB ILE 75 -1.396 -9.488 5.030
604 HG12 ILE 75 HG12 ILE 75 -4.135 -9.090 3.793
605 HG13 ILE 75 HG13 ILE 75 -3.321 -7.933 4.850
606 HG21 ILE 75 HG21 ILE 75 -1.803 -11.850 4.195
607 HG22 ILE 75 HG22 ILE 75 -1.548 -10.649 2.929
608 HG23 ILE 75 HG23 ILE 75 -3.178 -11.213 3.294
609 HD11 ILE 75 HD11 ILE 75 -1.374 -8.517 2.978
610 HD12 ILE 75 HD12 ILE 75 -2.410 -7.087 2.959
611 HD13 ILE 75 HD13 ILE 75 -2.852 -8.509 2.014
612 HA PRO 76 HA PRO 76 -1.034 -11.717 9.428
613 HB2 PRO 76 HB2 PRO 76 -2.513 -14.294 9.430
614 HB3 PRO 76 HB3 PRO 76 -2.169 -13.193 10.776
615 HG2 PRO 76 HG2 PRO 76 -4.612 -13.418 9.684
616 HG3 PRO 76 HG3 PRO 76 -4.006 -11.903 10.370
617 HD2 PRO 76 HD2 PRO 76 -4.360 -12.661 7.509
618 HD3 PRO 76 HD3 PRO 76 -4.436 -11.057 8.271
619 H GLY 77 H GLY 77 0.938 -12.675 9.177
620 HA2 GLY 77 HA2 GLY 77 2.418 -14.458 8.498
621 HA3 GLY 77 HA3 GLY 77 1.190 -15.001 7.350
622 H THR 78 H THR 78 0.997 -11.857 6.836
623 HA THR 78 HA THR 78 2.626 -11.949 4.452
624 HB THR 78 HB THR 78 1.115 -9.678 5.753
625 HG1 THR 78 HG1 THR 78 0.546 -11.330 3.525
626 HG21 THR 78 HG21 THR 78 2.990 -9.735 3.535
627 HG22 THR 78 HG22 THR 78 2.228 -8.350 4.315
628 HG23 THR 78 HG23 THR 78 1.391 -9.202 3.018
629 H LYS 79 H LYS 79 4.563 -10.812 4.034
630 HA LYS 79 HA LYS 79 6.386 -10.521 6.207
631 HB2 LYS 79 HB2 LYS 79 6.509 -9.301 3.431
632 HB3 LYS 79 HB3 LYS 79 7.866 -9.427 4.548
633 HG2 LYS 79 HG2 LYS 79 7.583 -11.905 4.559
634 HG3 LYS 79 HG3 LYS 79 6.306 -11.735 3.353
635 HD2 LYS 79 HD2 LYS 79 7.950 -10.571 1.859
636 HD3 LYS 79 HD3 LYS 79 9.211 -10.928 3.036
637 HE2 LYS 79 HE2 LYS 79 7.643 -13.296 2.362
638 HE3 LYS 79 HE3 LYS 79 8.415 -12.585 0.943
639 HZ1 LYS 79 HZ1 LYS 79 9.965 -12.911 3.419
640 HZ2 LYS 79 HZ2 LYS 79 10.499 -12.893 1.806
641 HZ3 LYS 79 HZ3 LYS 79 9.704 -14.260 2.425
642 H MET 80 H MET 80 7.043 -8.716 7.379
643 HA MET 80 HA MET 80 5.670 -6.127 6.790
644 HB2 MET 80 HB2 MET 80 6.020 -7.384 9.532
645 HB3 MET 80 HB3 MET 80 5.282 -5.817 9.199
646 HG2 MET 80 HG2 MET 80 3.575 -6.983 7.780
647 HG3 MET 80 HG3 MET 80 4.270 -8.522 8.280
648 HE1 MET 80 HE1 MET 80 2.745 -5.232 10.899
649 HE2 MET 80 HE2 MET 80 1.499 -5.717 9.752
650 HE3 MET 80 HE3 MET 80 3.088 -5.242 9.165
651 H ALA 81 H ALA 81 6.919 -4.252 7.455
652 HA ALA 81 HA ALA 81 9.470 -4.579 8.804
653 HB1 ALA 81 HB1 ALA 81 10.753 -3.712 6.719
654 HB2 ALA 81 HB2 ALA 81 9.379 -4.332 5.803
655 HB3 ALA 81 HB3 ALA 81 10.346 -5.426 6.793
656 H PHE 82 H PHE 82 7.632 -2.494 6.544
657 HA PHE 82 HA PHE 82 8.888 -0.070 7.499
658 HB2 PHE 82 HB2 PHE 82 7.885 -0.090 5.292
659 HB3 PHE 82 HB3 PHE 82 6.325 -0.529 5.964
660 HD1 PHE 82 HD1 PHE 82 8.929 2.059 6.813
661 HD2 PHE 82 HD2 PHE 82 4.830 1.209 5.863
662 HE1 PHE 82 HE1 PHE 82 8.372 4.453 7.086
663 HE2 PHE 82 HE2 PHE 82 4.279 3.593 6.127
664 HZ PHE 82 HZ PHE 82 6.041 5.227 6.741
665 H GLY 83 H GLY 83 5.550 0.393 7.457
666 HA2 GLY 83 HA2 GLY 83 3.930 0.612 9.178
667 HA3 GLY 83 HA3 GLY 83 5.089 -0.077 10.317
668 H GLY 84 H GLY 84 4.067 1.901 11.546
669 HA2 GLY 84 HA2 GLY 84 5.091 3.780 12.693
670 HA3 GLY 84 HA3 GLY 84 5.997 4.139 11.226
671 H LEU 85 H LEU 85 3.021 3.528 10.034
672 HA LEU 85 HA LEU 85 2.407 6.385 9.827
673 HB2 LEU 85 HB2 LEU 85 0.741 4.081 8.806
674 HB3 LEU 85 HB3 LEU 85 0.780 5.736 8.212
675 HG LEU 85 HG LEU 85 3.005 3.694 8.015
676 HD11 LEU 85 HD11 LEU 85 2.023 3.197 6.062
677 HD12 LEU 85 HD12 LEU 85 2.309 4.855 5.531
678 HD13 LEU 85 HD13 LEU 85 0.794 4.436 6.331
679 HD21 LEU 85 HD21 LEU 85 3.837 5.742 6.466
680 HD22 LEU 85 HD22 LEU 85 4.292 5.596 8.162
681 HD23 LEU 85 HD23 LEU 85 2.965 6.658 7.689
682 H LYS 86 H LYS 86 2.198 5.239 12.489
683 HA LYS 86 HA LYS 86 -0.391 4.528 13.299
684 HB2 LYS 86 HB2 LYS 86 1.610 4.655 14.803
685 HB3 LYS 86 HB3 LYS 86 1.468 6.414 14.782
686 HG2 LYS 86 HG2 LYS 86 -0.837 6.217 15.689
687 HG3 LYS 86 HG3 LYS 86 -0.636 4.467 15.770
688 HD2 LYS 86 HD2 LYS 86 1.346 4.812 17.261
689 HD3 LYS 86 HD3 LYS 86 0.993 6.541 17.264
690 HE2 LYS 86 HE2 LYS 86 -0.638 6.284 18.799
691 HE3 LYS 86 HE3 LYS 86 -1.387 4.985 17.869
692 HZ1 LYS 86 HZ1 LYS 86 -0.068 4.705 20.234
693 HZ2 LYS 86 HZ2 LYS 86 1.074 4.185 19.089
694 HZ3 LYS 86 HZ3 LYS 86 -0.457 3.452 19.158
695 H LYS 87 H LYS 87 0.864 7.662 12.321
696 HA LYS 87 HA LYS 87 -1.486 9.134 13.233
697 HB2 LYS 87 HB2 LYS 87 0.726 9.886 11.296
698 HB3 LYS 87 HB3 LYS 87 -0.504 10.998 11.898
699 HG2 LYS 87 HG2 LYS 87 0.254 10.511 14.227
700 HG3 LYS 87 HG3 LYS 87 1.546 9.510 13.564
701 HD2 LYS 87 HD2 LYS 87 2.367 11.494 12.282
702 HD3 LYS 87 HD3 LYS 87 1.140 12.476 13.083
703 HE2 LYS 87 HE2 LYS 87 3.354 12.633 14.212
704 HE3 LYS 87 HE3 LYS 87 2.109 11.967 15.269
705 HZ1 LYS 87 HZ1 LYS 87 3.460 9.968 13.718
706 HZ2 LYS 87 HZ2 LYS 87 3.157 10.024 15.389
707 HZ3 LYS 87 HZ3 LYS 87 4.509 10.821 14.741
708 H GLU 88 H GLU 88 -3.365 9.391 12.120
709 HA GLU 88 HA GLU 88 -3.943 7.861 9.784
710 HB2 GLU 88 HB2 GLU 88 -5.642 8.656 11.433
711 HB3 GLU 88 HB3 GLU 88 -5.429 10.286 10.801
712 HG2 GLU 88 HG2 GLU 88 -6.063 9.462 8.537
713 HG3 GLU 88 HG3 GLU 88 -6.369 7.870 9.233
714 H LYS 89 H LYS 89 -2.697 11.106 10.191
715 HA LYS 89 HA LYS 89 -3.376 12.253 7.718
716 HB2 LYS 89 HB2 LYS 89 -0.834 12.536 9.336
717 HB3 LYS 89 HB3 LYS 89 -1.287 13.594 8.004
718 HG2 LYS 89 HG2 LYS 89 -3.404 14.143 9.208
719 HG3 LYS 89 HG3 LYS 89 -2.842 13.172 10.570
720 HD2 LYS 89 HD2 LYS 89 -0.813 14.625 10.713
721 HD3 LYS 89 HD3 LYS 89 -1.492 15.641 9.441
722 HE2 LYS 89 HE2 LYS 89 -2.289 15.393 12.291
723 HE3 LYS 89 HE3 LYS 89 -2.351 16.795 11.223
724 HZ1 LYS 89 HZ1 LYS 89 -4.545 15.737 11.915
725 HZ2 LYS 89 HZ2 LYS 89 -4.152 14.485 10.836
726 HZ3 LYS 89 HZ3 LYS 89 -4.329 16.076 10.267
727 H ASP 90 H ASP 90 -0.582 10.159 8.479
728 HA ASP 90 HA ASP 90 0.578 10.279 5.869
729 HB2 ASP 90 HB2 ASP 90 0.684 8.072 7.949
730 HB3 ASP 90 HB3 ASP 90 1.719 8.174 6.528
731 H ARG 91 H ARG 91 -1.723 7.995 7.328
732 HA ARG 91 HA ARG 91 -1.931 6.258 5.078
733 HB2 ARG 91 HB2 ARG 91 -4.013 6.922 7.180
734 HB3 ARG 91 HB3 ARG 91 -4.055 5.523 6.106
735 HG2 ARG 91 HG2 ARG 91 -1.866 4.783 7.046
736 HG3 ARG 91 HG3 ARG 91 -1.930 6.131 8.182
737 HD2 ARG 91 HD2 ARG 91 -4.167 5.237 8.965
738 HD3 ARG 91 HD3 ARG 91 -3.854 3.800 7.992
739 HE ARG 91 HE ARG 91 -1.597 3.909 9.499
740 HH11 ARG 91 HH21 ARG 91 -4.943 4.296 10.239
741 HH12 ARG 91 HH22 ARG 91 -4.792 3.691 11.854
742 HH21 ARG 91 HH11 ARG 91 -1.382 3.117 11.602
743 HH22 ARG 91 HH12 ARG 91 -2.775 3.023 12.626
744 H ASN 92 H ASN 92 -3.883 9.113 5.979
745 HA ASN 92 HA ASN 92 -5.692 8.895 3.765
746 HB2 ASN 92 HB2 ASN 92 -4.866 11.299 5.412
747 HB3 ASN 92 HB3 ASN 92 -6.216 11.277 4.281
748 HD21 ASN 92 HD21 ASN 92 -6.871 11.828 6.897
749 HD22 ASN 92 HD22 ASN 92 -7.628 10.492 7.623
750 H ASP 93 H ASP 93 -2.744 10.834 4.227
751 HA ASP 93 HA ASP 93 -2.854 12.150 1.698
752 HB2 ASP 93 HB2 ASP 93 -0.486 11.464 3.458
753 HB3 ASP 93 HB3 ASP 93 -0.418 12.554 2.075
754 H LEU 94 H LEU 94 -1.370 9.086 2.680
755 HA LEU 94 HA LEU 94 0.057 8.539 0.293
756 HB2 LEU 94 HB2 LEU 94 -0.966 6.990 2.578
757 HB3 LEU 94 HB3 LEU 94 -0.787 6.059 1.092
758 HG LEU 94 HG LEU 94 1.424 7.882 1.990
759 HD11 LEU 94 HD11 LEU 94 1.190 6.622 3.961
760 HD12 LEU 94 HD12 LEU 94 2.351 5.675 3.029
761 HD13 LEU 94 HD13 LEU 94 0.654 5.186 3.087
762 HD21 LEU 94 HD21 LEU 94 1.254 5.296 0.411
763 HD22 LEU 94 HD22 LEU 94 2.761 6.128 0.802
764 HD23 LEU 94 HD23 LEU 94 1.568 6.905 -0.241
765 H ILE 95 H ILE 95 -3.105 7.176 1.204
766 HA ILE 95 HA ILE 95 -3.682 6.019 -1.267
767 HB ILE 95 HB ILE 95 -5.666 7.240 0.656
768 HG12 ILE 95 HG12 ILE 95 -4.236 4.560 0.604
769 HG13 ILE 95 HG13 ILE 95 -4.077 5.814 1.828
770 HG21 ILE 95 HG21 ILE 95 -7.136 5.465 -0.228
771 HG22 ILE 95 HG22 ILE 95 -5.848 4.939 -1.312
772 HG23 ILE 95 HG23 ILE 95 -6.590 6.524 -1.526
773 HD11 ILE 95 HD11 ILE 95 -5.789 4.904 2.962
774 HD12 ILE 95 HD12 ILE 95 -6.031 3.710 1.688
775 HD13 ILE 95 HD13 ILE 95 -6.852 5.268 1.606
776 H THR 96 H THR 96 -4.240 9.345 -0.185
777 HA THR 96 HA THR 96 -5.789 10.225 -2.382
778 HB THR 96 HB THR 96 -3.617 11.833 -1.009
779 HG1 THR 96 HG1 THR 96 -6.219 11.934 -0.094
780 HG21 THR 96 HG21 THR 96 -5.097 13.706 -1.490
781 HG22 THR 96 HG22 THR 96 -6.302 12.609 -2.162
782 HG23 THR 96 HG23 THR 96 -4.757 12.828 -2.981
783 H TYR 97 H TYR 97 -2.320 9.727 -1.979
784 HA TYR 97 HA TYR 97 -1.686 10.752 -4.645
785 HB2 TYR 97 HB2 TYR 97 -0.033 11.048 -2.901
786 HB3 TYR 97 HB3 TYR 97 -0.031 9.319 -2.555
787 HD1 TYR 97 HD2 TYR 97 0.866 11.887 -5.086
788 HD2 TYR 97 HD1 TYR 97 1.186 7.773 -3.903
789 HE1 TYR 97 HE2 TYR 97 2.606 11.524 -6.817
790 HE2 TYR 97 HE1 TYR 97 2.920 7.406 -5.632
791 HH TYR 97 HH TYR 97 3.428 8.813 -8.054
792 H LEU 98 H LEU 98 -1.649 7.545 -3.055
793 HA LEU 98 HA LEU 98 -0.839 6.015 -5.279
794 HB2 LEU 98 HB2 LEU 98 -2.904 5.228 -3.207
795 HB3 LEU 98 HB3 LEU 98 -1.989 4.123 -4.223
796 HG LEU 98 HG LEU 98 -0.711 6.059 -2.266
797 HD11 LEU 98 HD11 LEU 98 -1.486 4.601 -0.702
798 HD12 LEU 98 HD12 LEU 98 -0.249 3.513 -1.330
799 HD13 LEU 98 HD13 LEU 98 -1.910 3.390 -1.912
800 HD21 LEU 98 HD21 LEU 98 0.895 5.513 -3.886
801 HD22 LEU 98 HD22 LEU 98 0.268 3.877 -4.094
802 HD23 LEU 98 HD23 LEU 98 1.171 4.298 -2.639
803 H LYS 99 H LYS 99 -4.159 6.883 -4.299
804 HA LYS 99 HA LYS 99 -5.457 5.673 -6.526
805 HB2 LYS 99 HB2 LYS 99 -6.648 6.484 -4.507
806 HB3 LYS 99 HB3 LYS 99 -6.307 8.139 -5.000
807 HG2 LYS 99 HG2 LYS 99 -7.523 7.724 -7.136
808 HG3 LYS 99 HG3 LYS 99 -7.933 6.110 -6.553
809 HD2 LYS 99 HD2 LYS 99 -9.048 7.160 -4.575
810 HD3 LYS 99 HD3 LYS 99 -8.734 8.744 -5.284
811 HE2 LYS 99 HE2 LYS 99 -11.031 7.890 -5.792
812 HE3 LYS 99 HE3 LYS 99 -10.070 8.184 -7.242
813 HZ1 LYS 99 HZ1 LYS 99 -10.264 5.533 -5.930
814 HZ2 LYS 99 HZ2 LYS 99 -9.614 5.890 -7.459
815 HZ3 LYS 99 HZ3 LYS 99 -11.286 6.019 -7.192
816 H LYS 100 H LYS 100 -4.060 8.899 -6.096
817 HA LYS 100 HA LYS 100 -4.951 10.051 -8.544
818 HB2 LYS 100 HB2 LYS 100 -3.777 11.224 -6.619
819 HB3 LYS 100 HB3 LYS 100 -2.271 10.552 -7.232
820 HG2 LYS 100 HG2 LYS 100 -2.690 11.635 -9.423
821 HG3 LYS 100 HG3 LYS 100 -4.163 12.355 -8.769
822 HD2 LYS 100 HD2 LYS 100 -2.770 13.448 -6.992
823 HD3 LYS 100 HD3 LYS 100 -1.330 12.838 -7.807
824 HE2 LYS 100 HE2 LYS 100 -1.652 14.205 -9.682
825 HE3 LYS 100 HE3 LYS 100 -3.370 14.423 -9.348
826 HZ1 LYS 100 HZ1 LYS 100 -1.695 16.308 -8.809
827 HZ2 LYS 100 HZ2 LYS 100 -1.385 15.394 -7.410
828 HZ3 LYS 100 HZ3 LYS 100 -2.953 15.967 -7.724
829 H ALA 101 H ALA 101 -2.052 8.182 -7.763
830 HA ALA 101 HA ALA 101 -0.961 8.283 -10.443
831 HB1 ALA 101 HB1 ALA 101 -0.276 5.975 -8.702
832 HB2 ALA 101 HB2 ALA 101 0.076 7.571 -8.038
833 HB3 ALA 101 HB3 ALA 101 0.787 7.079 -9.576
834 H THR 102 H THR 102 -2.656 5.743 -8.594
835 HA THR 102 HA THR 102 -2.866 3.897 -10.766
836 HB THR 102 HB THR 102 -4.805 4.255 -8.457
837 HG1 THR 102 HG1 THR 102 -3.101 2.281 -8.075
838 HG21 THR 102 HG21 THR 102 -5.816 2.406 -9.238
839 HG22 THR 102 HG22 THR 102 -4.277 1.550 -9.317
840 HG23 THR 102 HG23 THR 102 -4.813 2.526 -10.684
841 H GLU 103 H GLU 103 -4.736 6.701 -9.792
842 HA GLU 103 HA GLU 103 -6.854 6.155 -11.760
843 HB2 GLU 103 HB2 GLU 103 -7.334 7.279 -9.577
844 HB3 GLU 103 HB3 GLU 103 -6.362 8.651 -10.111
845 HG2 GLU 103 HG2 GLU 103 -7.860 8.897 -12.090
846 HG3 GLU 103 HG3 GLU 103 -8.868 7.597 -11.453
847 HHA HEC 104 HA HEC 104 2.500 -5.759 0.494
848 HHB HEC 104 HB HEC 104 1.445 0.462 1.050
849 HHC HEC 104 HC HEC 104 7.568 1.361 2.391
850 HHD HEC 104 HD HEC 104 8.624 -4.835 1.690
851 HMA1 HEC 104 1HMA HEC 104 -0.364 -0.991 -0.669
852 HMA2 HEC 104 2HMA HEC 104 -0.552 -0.600 1.041
853 HMA3 HEC 104 3HMA HEC 104 -1.244 -2.087 0.397
854 HAA1 HEC 104 1HAA HEC 104 0.406 -5.474 0.525
855 HAA2 HEC 104 2HAA HEC 104 -0.630 -4.389 1.423
856 HBA1 HEC 104 1HBA HEC 104 -0.623 -3.501 -1.269
857 HBA2 HEC 104 2HBA HEC 104 -1.956 -4.225 -0.371
858 HMB1 HEC 104 1HMB HEC 104 1.838 2.706 1.085
859 HMB2 HEC 104 2HMB HEC 104 2.097 2.628 2.827
860 HMB3 HEC 104 3HMB HEC 104 2.973 3.810 1.860
861 HAB HEC 104 HAB HEC 104 6.689 3.286 2.098
862 HBB1 HEC 104 1HBB HEC 104 5.977 4.390 3.905
863 HBB2 HEC 104 2HBB HEC 104 4.428 3.552 3.814
864 HBB3 HEC 104 3HBB HEC 104 4.660 5.073 2.952
865 HMC1 HEC 104 1HMC HEC 104 10.833 -0.381 3.154
866 HMC2 HEC 104 2HMC HEC 104 10.087 0.882 2.175
867 HMC3 HEC 104 3HMC HEC 104 9.470 0.535 3.792
868 HAC HEC 104 HAC HEC 104 10.495 -3.737 1.438
869 HBC1 HEC 104 1HBC HEC 104 10.761 -2.496 4.080
870 HBC2 HEC 104 2HBC HEC 104 11.324 -4.071 3.522
871 HBC3 HEC 104 3HBC HEC 104 12.298 -2.631 3.226
872 HMD1 HEC 104 1HMD HEC 104 7.857 -7.059 2.357
873 HMD2 HEC 104 2HMD HEC 104 8.129 -7.287 0.629
874 HMD3 HEC 104 3HMD HEC 104 6.876 -8.216 1.455
875 HAD1 HEC 104 1HAD HEC 104 5.230 -8.196 -0.284
876 HAD2 HEC 104 2HAD HEC 104 3.649 -7.450 -0.314
877 HBD1 HEC 104 1HBD HEC 104 3.055 -8.316 1.751
878 HBD2 HEC 104 2HBD HEC 104 4.722 -8.471 2.286
Start of MODEL 11
1 H1 THR -5 H1 THR -5 -16.962 4.823 6.882
2 H2 THR -5 H2 THR -5 -17.809 6.181 6.307
3 H3 THR -5 H3 THR -5 -16.116 6.110 6.172
4 HA THR -5 HA THR -5 -17.095 3.832 4.924
5 HB THR -5 HB THR -5 -18.679 4.660 3.343
6 HG1 THR -5 HG1 THR -5 -18.350 6.641 2.764
7 HG21 THR -5 HG21 THR -5 -20.524 5.048 4.712
8 HG22 THR -5 HG22 THR -5 -19.616 6.084 5.813
9 HG23 THR -5 HG23 THR -5 -19.384 4.336 5.852
10 H GLU -4 H GLU -4 -15.785 7.073 4.883
11 HA GLU -4 HA GLU -4 -14.225 6.403 2.424
12 HB2 GLU -4 HB2 GLU -4 -14.711 9.086 3.755
13 HB3 GLU -4 HB3 GLU -4 -13.789 8.831 2.273
14 HG2 GLU -4 HG2 GLU -4 -15.814 7.847 1.214
15 HG3 GLU -4 HG3 GLU -4 -16.728 8.201 2.680
16 H PHE -3 H PHE -3 -11.926 6.757 2.464
17 HA PHE -3 HA PHE -3 -10.698 6.111 5.011
18 HB2 PHE -3 HB2 PHE -3 -8.589 6.161 3.776
19 HB3 PHE -3 HB3 PHE -3 -9.805 5.301 2.832
20 HD1 PHE -3 HD2 PHE -3 -10.832 6.336 0.845
21 HD2 PHE -3 HD1 PHE -3 -7.764 8.339 3.090
22 HE1 PHE -3 HE2 PHE -3 -10.506 7.934 -1.023
23 HE2 PHE -3 HE1 PHE -3 -7.436 9.932 1.219
24 HZ PHE -3 HZ PHE -3 -8.808 9.731 -0.838
25 H LYS -2 H LYS -2 -11.786 9.002 3.732
26 HA LYS -2 HA LYS -2 -11.413 11.240 4.312
27 HB2 LYS -2 HB2 LYS -2 -11.770 10.266 6.598
28 HB3 LYS -2 HB3 LYS -2 -10.028 10.032 6.727
29 HG2 LYS -2 HG2 LYS -2 -10.356 12.100 7.793
30 HG3 LYS -2 HG3 LYS -2 -9.875 12.572 6.165
31 HD2 LYS -2 HD2 LYS -2 -12.169 12.978 5.528
32 HD3 LYS -2 HD3 LYS -2 -12.763 12.283 7.035
33 HE2 LYS -2 HE2 LYS -2 -12.232 14.149 8.262
34 HE3 LYS -2 HE3 LYS -2 -10.823 14.526 7.272
35 HZ1 LYS -2 HZ1 LYS -2 -12.050 15.997 6.192
36 HZ2 LYS -2 HZ2 LYS -2 -13.429 15.569 7.088
37 HZ3 LYS -2 HZ3 LYS -2 -13.064 14.753 5.643
38 H ALA -1 H ALA -1 -9.977 12.308 3.052
39 HA ALA -1 HA ALA -1 -7.154 11.456 2.990
40 HB1 ALA -1 HB1 ALA -1 -8.950 12.638 1.137
41 HB2 ALA -1 HB2 ALA -1 -7.268 12.183 0.866
42 HB3 ALA -1 HB3 ALA -1 -7.663 13.808 1.423
43 H GLY 1 H GLY 1 -5.945 13.932 2.434
44 HA2 GLY 1 HA2 GLY 1 -6.550 15.872 4.515
45 HA3 GLY 1 HA3 GLY 1 -5.133 14.893 4.904
46 H SER 2 H SER 2 -3.390 14.848 3.218
47 HA SER 2 HA SER 2 -3.418 17.134 1.349
48 HB2 SER 2 HB2 SER 2 -0.874 17.306 2.412
49 HB3 SER 2 HB3 SER 2 -2.211 18.386 2.803
50 HG SER 2 HG SER 2 -1.395 16.028 4.157
51 H ALA 3 H ALA 3 -3.066 15.988 -0.509
52 HA ALA 3 HA ALA 3 -1.570 13.545 -0.646
53 HB1 ALA 3 HB1 ALA 3 -1.613 15.048 -3.145
54 HB2 ALA 3 HB2 ALA 3 -3.200 15.006 -2.376
55 HB3 ALA 3 HB3 ALA 3 -2.365 13.500 -2.759
56 H LYS 4 H LYS 4 -0.622 16.871 -0.630
57 HA LYS 4 HA LYS 4 1.795 16.810 -2.081
58 HB2 LYS 4 HB2 LYS 4 1.216 18.262 0.520
59 HB3 LYS 4 HB3 LYS 4 2.499 18.667 -0.621
60 HG2 LYS 4 HG2 LYS 4 1.004 19.439 -2.240
61 HG3 LYS 4 HG3 LYS 4 -0.342 18.504 -1.587
62 HD2 LYS 4 HD2 LYS 4 0.905 20.650 0.102
63 HD3 LYS 4 HD3 LYS 4 -0.227 21.106 -1.171
64 HE2 LYS 4 HE2 LYS 4 -1.877 19.475 -0.209
65 HE3 LYS 4 HE3 LYS 4 -0.763 19.198 1.127
66 HZ1 LYS 4 HZ1 LYS 4 -0.962 21.918 0.944
67 HZ2 LYS 4 HZ2 LYS 4 -1.723 20.930 2.098
68 HZ3 LYS 4 HZ3 LYS 4 -2.549 21.377 0.682
69 H LYS 5 H LYS 5 1.373 16.227 1.437
70 HA LYS 5 HA LYS 5 4.076 15.330 1.814
71 HB2 LYS 5 HB2 LYS 5 1.581 14.863 3.453
72 HB3 LYS 5 HB3 LYS 5 3.212 14.478 3.989
73 HG2 LYS 5 HG2 LYS 5 3.842 16.872 3.658
74 HG3 LYS 5 HG3 LYS 5 2.160 17.224 3.256
75 HD2 LYS 5 HD2 LYS 5 1.482 16.324 5.486
76 HD3 LYS 5 HD3 LYS 5 3.187 16.117 5.886
77 HE2 LYS 5 HE2 LYS 5 2.276 18.796 4.913
78 HE3 LYS 5 HE3 LYS 5 1.894 18.333 6.570
79 HZ1 LYS 5 HZ1 LYS 5 3.948 19.281 6.820
80 HZ2 LYS 5 HZ2 LYS 5 4.516 18.742 5.311
81 HZ3 LYS 5 HZ3 LYS 5 4.385 17.655 6.610
82 H GLY 6 H GLY 6 1.008 13.639 1.275
83 HA2 GLY 6 HA2 GLY 6 2.019 10.986 1.574
84 HA3 GLY 6 HA3 GLY 6 0.570 11.416 0.669
85 H ALA 7 H ALA 7 1.919 13.169 -1.208
86 HA ALA 7 HA ALA 7 2.624 11.269 -3.203
87 HB1 ALA 7 HB1 ALA 7 3.194 14.232 -2.977
88 HB2 ALA 7 HB2 ALA 7 1.901 13.456 -3.892
89 HB3 ALA 7 HB3 ALA 7 3.577 13.284 -4.414
90 H THR 8 H THR 8 4.712 13.370 -1.211
91 HA THR 8 HA THR 8 7.130 12.145 -2.268
92 HB THR 8 HB THR 8 8.292 13.553 -0.693
93 HG1 THR 8 HG1 THR 8 6.023 14.586 0.459
94 HG21 THR 8 HG21 THR 8 7.406 14.731 -2.617
95 HG22 THR 8 HG22 THR 8 7.239 15.768 -1.201
96 HG23 THR 8 HG23 THR 8 5.837 14.905 -1.832
97 H LEU 9 H LEU 9 5.004 11.611 0.478
98 HA LEU 9 HA LEU 9 6.735 10.113 2.145
99 HB2 LEU 9 HB2 LEU 9 4.347 10.833 2.658
100 HB3 LEU 9 HB3 LEU 9 3.813 9.489 1.650
101 HG LEU 9 HG LEU 9 5.317 8.009 3.130
102 HD11 LEU 9 HD11 LEU 9 4.954 9.717 5.440
103 HD12 LEU 9 HD12 LEU 9 5.944 10.533 4.232
104 HD13 LEU 9 HD13 LEU 9 6.430 8.955 4.849
105 HD21 LEU 9 HD21 LEU 9 3.409 8.584 5.083
106 HD22 LEU 9 HD22 LEU 9 3.212 7.455 3.743
107 HD23 LEU 9 HD23 LEU 9 2.655 9.121 3.582
108 H PHE 10 H PHE 10 4.730 9.091 -0.595
109 HA PHE 10 HA PHE 10 5.452 6.315 -0.483
110 HB2 PHE 10 HB2 PHE 10 3.502 7.012 -1.751
111 HB3 PHE 10 HB3 PHE 10 4.493 8.052 -2.777
112 HD1 PHE 10 HD2 PHE 10 6.280 6.992 -4.238
113 HD2 PHE 10 HD1 PHE 10 3.244 4.694 -2.245
114 HE1 PHE 10 HE2 PHE 10 6.714 5.094 -5.769
115 HE2 PHE 10 HE1 PHE 10 3.678 2.795 -3.782
116 HZ PHE 10 HZ PHE 10 5.412 2.996 -5.548
117 H LYS 11 H LYS 11 6.724 9.055 -2.366
118 HA LYS 11 HA LYS 11 8.648 7.580 -3.824
119 HB2 LYS 11 HB2 LYS 11 8.703 10.474 -2.936
120 HB3 LYS 11 HB3 LYS 11 9.760 9.777 -4.161
121 HG2 LYS 11 HG2 LYS 11 7.728 9.107 -5.461
122 HG3 LYS 11 HG3 LYS 11 6.742 9.967 -4.278
123 HD2 LYS 11 HD2 LYS 11 8.035 12.047 -4.774
124 HD3 LYS 11 HD3 LYS 11 8.891 11.171 -6.044
125 HE2 LYS 11 HE2 LYS 11 6.964 10.951 -7.368
126 HE3 LYS 11 HE3 LYS 11 5.881 11.232 -6.004
127 HZ1 LYS 11 HZ1 LYS 11 6.673 13.524 -5.913
128 HZ2 LYS 11 HZ2 LYS 11 5.982 13.168 -7.424
129 HZ3 LYS 11 HZ3 LYS 11 7.671 13.245 -7.256
130 H THR 12 H THR 12 8.851 9.079 -0.620
131 HA THR 12 HA THR 12 11.688 8.268 -0.427
132 HB THR 12 HB THR 12 11.681 9.580 1.642
133 HG1 THR 12 HG1 THR 12 9.762 10.612 2.260
134 HG21 THR 12 HG21 THR 12 11.648 11.640 0.597
135 HG22 THR 12 HG22 THR 12 10.151 11.292 -0.266
136 HG23 THR 12 HG23 THR 12 11.669 10.583 -0.814
137 H ARG 13 H ARG 13 8.916 6.605 -0.022
138 HA ARG 13 HA ARG 13 10.085 5.066 2.258
139 HB2 ARG 13 HB2 ARG 13 7.144 5.685 1.902
140 HB3 ARG 13 HB3 ARG 13 7.858 4.733 3.196
141 HG2 ARG 13 HG2 ARG 13 8.626 7.613 2.677
142 HG3 ARG 13 HG3 ARG 13 7.333 7.154 3.781
143 HD2 ARG 13 HD2 ARG 13 9.033 5.665 4.961
144 HD3 ARG 13 HD3 ARG 13 10.272 6.469 3.998
145 HE ARG 13 HE ARG 13 8.764 7.671 6.211
146 HH11 ARG 13 HH21 ARG 13 10.713 8.071 3.396
147 HH12 ARG 13 HH22 ARG 13 11.264 9.653 3.840
148 HH21 ARG 13 HH11 ARG 13 9.471 9.734 6.807
149 HH22 ARG 13 HH12 ARG 13 10.560 10.594 5.770
150 H CYS 14 H CYS 14 7.199 4.718 0.164
151 HA CYS 14 HA CYS 14 7.544 1.868 -0.006
152 HB2 CYS 14 HB2 CYS 14 6.032 3.342 -2.108
153 HB3 CYS 14 HB3 CYS 14 5.614 1.849 -1.275
154 H LEU 15 H LEU 15 8.697 4.519 -1.999
155 HA LEU 15 HA LEU 15 9.334 3.102 -4.356
156 HB2 LEU 15 HB2 LEU 15 9.540 5.554 -4.106
157 HB3 LEU 15 HB3 LEU 15 10.948 5.319 -3.072
158 HG LEU 15 HG LEU 15 12.045 4.076 -4.966
159 HD11 LEU 15 HD11 LEU 15 10.902 4.768 -7.248
160 HD12 LEU 15 HD12 LEU 15 9.444 4.828 -6.260
161 HD13 LEU 15 HD13 LEU 15 10.361 3.327 -6.387
162 HD21 LEU 15 HD21 LEU 15 12.444 6.145 -6.343
163 HD22 LEU 15 HD22 LEU 15 12.614 6.406 -4.607
164 HD23 LEU 15 HD23 LEU 15 11.151 6.935 -5.440
165 H GLN 16 H GLN 16 11.069 3.270 -1.277
166 HA GLN 16 HA GLN 16 13.523 2.131 -2.088
167 HB2 GLN 16 HB2 GLN 16 12.029 1.813 0.530
168 HB3 GLN 16 HB3 GLN 16 13.715 1.360 0.282
169 HG2 GLN 16 HG2 GLN 16 14.271 3.676 -0.314
170 HG3 GLN 16 HG3 GLN 16 12.581 4.144 -0.119
171 HE21 GLN 16 HE21 GLN 16 14.600 5.371 1.473
172 HE22 GLN 16 HE22 GLN 16 14.401 4.873 3.084
173 H CYS 17 H CYS 17 10.462 0.516 -1.232
174 HA CYS 17 HA CYS 17 11.732 -2.077 -2.015
175 HB2 CYS 17 HB2 CYS 17 9.279 -1.543 -0.330
176 HB3 CYS 17 HB3 CYS 17 9.875 -3.143 -0.759
177 H HIS 18 H HIS 18 8.725 -0.204 -2.359
178 HA HIS 18 HA HIS 18 7.913 -1.994 -4.577
179 HB2 HIS 18 HB2 HIS 18 6.494 0.381 -3.342
180 HB3 HIS 18 HB3 HIS 18 5.818 -0.689 -4.566
181 HD1 HIS 18 HD1 HIS 18 5.790 -3.355 -3.775
182 HD2 HIS 18 HD2 HIS 18 5.991 -0.452 -0.787
183 HE1 HIS 18 HE1 HIS 18 4.931 -4.446 -1.639
184 H THR 19 H THR 19 7.360 -1.131 -6.644
185 HA THR 19 HA THR 19 8.709 1.459 -7.298
186 HB THR 19 HB THR 19 8.271 -0.785 -9.246
187 HG1 THR 19 HG1 THR 19 10.185 -1.619 -8.699
188 HG21 THR 19 HG21 THR 19 10.588 0.949 -9.563
189 HG22 THR 19 HG22 THR 19 9.078 1.859 -9.517
190 HG23 THR 19 HG23 THR 19 9.301 0.580 -10.712
191 H VAL 20 H VAL 20 7.472 2.886 -8.545
192 HA VAL 20 HA VAL 20 4.637 2.655 -8.429
193 HB VAL 20 HB VAL 20 6.272 4.322 -10.361
194 HG11 VAL 20 HG11 VAL 20 4.233 5.867 -9.952
195 HG12 VAL 20 HG12 VAL 20 3.437 4.416 -9.341
196 HG13 VAL 20 HG13 VAL 20 4.008 4.474 -11.009
197 HG21 VAL 20 HG21 VAL 20 6.964 4.520 -7.959
198 HG22 VAL 20 HG22 VAL 20 5.316 5.020 -7.574
199 HG23 VAL 20 HG23 VAL 20 6.315 6.017 -8.632
200 H GLU 21 H GLU 21 6.933 1.901 -11.054
201 HA GLU 21 HA GLU 21 5.050 1.399 -13.101
202 HB2 GLU 21 HB2 GLU 21 7.647 -0.059 -12.519
203 HB3 GLU 21 HB3 GLU 21 6.756 -0.152 -14.038
204 HG2 GLU 21 HG2 GLU 21 6.983 2.304 -14.304
205 HG3 GLU 21 HG3 GLU 21 7.926 2.363 -12.815
206 H LYS 22 H LYS 22 3.792 -0.416 -13.621
207 HA LYS 22 HA LYS 22 2.756 -1.997 -11.515
208 HB2 LYS 22 HB2 LYS 22 2.848 -2.600 -14.489
209 HB3 LYS 22 HB3 LYS 22 1.841 -3.458 -13.323
210 HG2 LYS 22 HG2 LYS 22 0.772 -1.282 -12.712
211 HG3 LYS 22 HG3 LYS 22 1.703 -0.505 -13.994
212 HD2 LYS 22 HD2 LYS 22 0.678 -2.081 -15.638
213 HD3 LYS 22 HD3 LYS 22 -0.323 -2.734 -14.341
214 HE2 LYS 22 HE2 LYS 22 -0.316 0.228 -14.785
215 HE3 LYS 22 HE3 LYS 22 -1.236 -0.789 -15.894
216 HZ1 LYS 22 HZ1 LYS 22 -1.758 -1.698 -13.322
217 HZ2 LYS 22 HZ2 LYS 22 -2.822 -0.896 -14.376
218 HZ3 LYS 22 HZ3 LYS 22 -1.889 -0.007 -13.267
219 H GLY 23 H GLY 23 5.479 -2.523 -13.666
220 HA2 GLY 23 HA2 GLY 23 5.981 -5.178 -12.416
221 HA3 GLY 23 HA3 GLY 23 6.756 -4.586 -13.885
222 H GLY 24 H GLY 24 8.197 -2.643 -13.574
223 HA2 GLY 24 HA2 GLY 24 10.142 -1.776 -12.579
224 HA3 GLY 24 HA3 GLY 24 9.164 -1.714 -11.112
225 HA PRO 25 HA PRO 25 12.529 -4.993 -10.739
226 HB2 PRO 25 HB2 PRO 25 14.249 -3.674 -9.097
227 HB3 PRO 25 HB3 PRO 25 14.339 -3.562 -10.864
228 HG2 PRO 25 HG2 PRO 25 13.222 -1.632 -8.900
229 HG3 PRO 25 HG3 PRO 25 14.120 -1.332 -10.397
230 HD2 PRO 25 HD2 PRO 25 11.368 -1.118 -10.171
231 HD3 PRO 25 HD3 PRO 25 12.226 -1.413 -11.699
232 H HIS 26 H HIS 26 12.479 -6.422 -8.988
233 HA HIS 26 HA HIS 26 10.786 -5.605 -6.688
234 HB2 HIS 26 HB2 HIS 26 11.841 -8.337 -7.491
235 HB3 HIS 26 HB3 HIS 26 10.671 -8.021 -6.217
236 HD1 HIS 26 HD1 HIS 26 8.481 -6.538 -7.173
237 HD2 HIS 26 HD2 HIS 26 10.615 -8.905 -9.848
238 HE1 HIS 26 HE1 HIS 26 6.970 -6.883 -9.185
239 HE2 HIS 26 HE2 HIS 26 8.268 -8.321 -10.826
240 H LYS 27 H LYS 27 13.385 -4.491 -6.742
241 HA LYS 27 HA LYS 27 15.566 -5.624 -5.634
242 HB2 LYS 27 HB2 LYS 27 14.235 -3.120 -4.564
243 HB3 LYS 27 HB3 LYS 27 15.921 -3.565 -4.314
244 HG2 LYS 27 HG2 LYS 27 16.213 -3.609 -6.799
245 HG3 LYS 27 HG3 LYS 27 14.570 -2.990 -6.948
246 HD2 LYS 27 HD2 LYS 27 15.220 -1.027 -5.549
247 HD3 LYS 27 HD3 LYS 27 16.882 -1.621 -5.548
248 HE2 LYS 27 HE2 LYS 27 15.408 -1.194 -8.141
249 HE3 LYS 27 HE3 LYS 27 16.213 0.150 -7.331
250 HZ1 LYS 27 HZ1 LYS 27 18.232 -1.329 -7.264
251 HZ2 LYS 27 HZ2 LYS 27 17.783 -0.756 -8.800
252 HZ3 LYS 27 HZ3 LYS 27 17.422 -2.354 -8.346
253 H VAL 28 H VAL 28 13.964 -3.974 -3.055
254 HA VAL 28 HA VAL 28 14.575 -6.051 -1.167
255 HB VAL 28 HB VAL 28 12.578 -3.819 -0.824
256 HG11 VAL 28 HG11 VAL 28 14.334 -4.654 1.386
257 HG12 VAL 28 HG12 VAL 28 13.198 -5.894 0.852
258 HG13 VAL 28 HG13 VAL 28 12.602 -4.322 1.388
259 HG21 VAL 28 HG21 VAL 28 15.591 -3.832 -0.523
260 HG22 VAL 28 HG22 VAL 28 14.543 -2.547 0.083
261 HG23 VAL 28 HG23 VAL 28 14.644 -2.860 -1.650
262 H GLY 29 H GLY 29 11.462 -4.987 -2.574
263 HA2 GLY 29 HA2 GLY 29 10.435 -7.735 -2.111
264 HA3 GLY 29 HA3 GLY 29 9.546 -6.400 -1.380
265 HA PRO 30 HA PRO 30 8.068 -7.606 -5.781
266 HB2 PRO 30 HB2 PRO 30 5.470 -7.262 -4.476
267 HB3 PRO 30 HB3 PRO 30 6.080 -8.642 -5.401
268 HG2 PRO 30 HG2 PRO 30 5.814 -8.416 -2.596
269 HG3 PRO 30 HG3 PRO 30 6.524 -9.749 -3.513
270 HD2 PRO 30 HD2 PRO 30 7.891 -7.932 -1.806
271 HD3 PRO 30 HD3 PRO 30 8.620 -9.150 -2.872
272 H ASN 31 H ASN 31 6.806 -6.136 -7.151
273 HA ASN 31 HA ASN 31 6.919 -3.357 -6.115
274 HB2 ASN 31 HB2 ASN 31 6.632 -4.379 -8.951
275 HB3 ASN 31 HB3 ASN 31 6.874 -2.698 -8.470
276 HD21 ASN 31 HD21 ASN 31 8.662 -3.655 -6.181
277 HD22 ASN 31 HD22 ASN 31 10.148 -3.993 -6.930
278 H LEU 32 H LEU 32 5.129 -2.148 -5.866
279 HA LEU 32 HA LEU 32 2.533 -3.504 -6.040
280 HB2 LEU 32 HB2 LEU 32 3.586 -1.874 -4.191
281 HB3 LEU 32 HB3 LEU 32 2.770 -0.662 -5.176
282 HG LEU 32 HG LEU 32 0.674 -2.044 -5.013
283 HD11 LEU 32 HD11 LEU 32 1.254 -3.506 -2.668
284 HD12 LEU 32 HD12 LEU 32 2.564 -3.869 -3.789
285 HD13 LEU 32 HD13 LEU 32 0.891 -4.164 -4.264
286 HD21 LEU 32 HD21 LEU 32 0.180 -0.654 -3.306
287 HD22 LEU 32 HD22 LEU 32 1.903 -0.349 -3.090
288 HD23 LEU 32 HD23 LEU 32 1.118 -1.649 -2.194
289 H HIS 33 H HIS 33 1.338 -0.686 -6.255
290 HA HIS 33 HA HIS 33 0.417 0.699 -7.882
291 HB2 HIS 33 HB2 HIS 33 2.870 0.875 -8.621
292 HB3 HIS 33 HB3 HIS 33 2.469 -0.334 -9.846
293 HD1 HIS 33 HD1 HIS 33 1.003 2.978 -8.607
294 HD2 HIS 33 HD2 HIS 33 1.482 0.821 -12.144
295 HE1 HIS 33 HE1 HIS 33 0.070 4.429 -10.465
296 HE2 HIS 33 HE2 HIS 33 0.358 3.125 -12.622
297 H GLY 34 H GLY 34 -1.536 0.053 -8.591
298 HA2 GLY 34 HA2 GLY 34 -2.892 -0.870 -10.374
299 HA3 GLY 34 HA3 GLY 34 -1.632 -2.061 -10.672
300 H ILE 35 H ILE 35 -2.108 -1.879 -7.337
301 HA ILE 35 HA ILE 35 -3.685 -4.374 -7.481
302 HB ILE 35 HB ILE 35 -3.011 -4.809 -5.228
303 HG12 ILE 35 HG12 ILE 35 -1.830 -2.012 -5.133
304 HG13 ILE 35 HG13 ILE 35 -3.362 -2.454 -4.380
305 HG21 ILE 35 HG21 ILE 35 -1.291 -4.782 -7.229
306 HG22 ILE 35 HG22 ILE 35 -0.739 -5.078 -5.581
307 HG23 ILE 35 HG23 ILE 35 -0.553 -3.479 -6.299
308 HD11 ILE 35 HD11 ILE 35 -1.299 -4.352 -3.673
309 HD12 ILE 35 HD12 ILE 35 -2.323 -3.375 -2.621
310 HD13 ILE 35 HD13 ILE 35 -0.816 -2.712 -3.247
311 H PHE 36 H PHE 36 -4.311 -1.098 -7.028
312 HA PHE 36 HA PHE 36 -6.218 -1.089 -4.942
313 HB2 PHE 36 HB2 PHE 36 -5.683 0.602 -7.322
314 HB3 PHE 36 HB3 PHE 36 -7.292 0.742 -6.613
315 HD1 PHE 36 HD1 PHE 36 -3.846 0.215 -5.197
316 HD2 PHE 36 HD2 PHE 36 -7.440 2.569 -5.174
317 HE1 PHE 36 HE1 PHE 36 -2.926 1.601 -3.364
318 HE2 PHE 36 HE2 PHE 36 -6.519 3.957 -3.337
319 HZ PHE 36 HZ PHE 36 -4.260 3.469 -2.431
320 H GLY 37 H GLY 37 -6.365 -2.692 -7.956
321 HA2 GLY 37 HA2 GLY 37 -9.282 -3.198 -7.512
322 HA3 GLY 37 HA3 GLY 37 -8.643 -2.931 -9.136
323 H ARG 38 H ARG 38 -6.936 -4.748 -6.640
324 HA ARG 38 HA ARG 38 -7.592 -7.279 -8.072
325 HB2 ARG 38 HB2 ARG 38 -4.814 -6.322 -7.340
326 HB3 ARG 38 HB3 ARG 38 -5.191 -7.944 -7.903
327 HG2 ARG 38 HG2 ARG 38 -5.984 -5.523 -9.511
328 HG3 ARG 38 HG3 ARG 38 -4.371 -6.219 -9.650
329 HD2 ARG 38 HD2 ARG 38 -5.472 -8.454 -10.105
330 HD3 ARG 38 HD3 ARG 38 -7.011 -7.599 -10.209
331 HE ARG 38 HE ARG 38 -5.066 -6.371 -11.942
332 HH11 ARG 38 HH21 ARG 38 -7.123 -9.106 -11.522
333 HH12 ARG 38 HH22 ARG 38 -7.312 -9.392 -13.220
334 HH21 ARG 38 HH11 ARG 38 -5.303 -6.727 -14.162
335 HH22 ARG 38 HH12 ARG 38 -6.282 -8.044 -14.714
336 H HIS 39 H HIS 39 -6.616 -9.179 -6.779
337 HA HIS 39 HA HIS 39 -7.462 -8.846 -3.970
338 HB2 HIS 39 HB2 HIS 39 -6.873 -11.192 -5.760
339 HB3 HIS 39 HB3 HIS 39 -6.945 -11.402 -4.017
340 HD1 HIS 39 HD1 HIS 39 -9.088 -9.906 -6.786
341 HD2 HIS 39 HD2 HIS 39 -9.527 -11.763 -3.081
342 HE1 HIS 39 HE1 HIS 39 -11.575 -10.212 -6.435
343 HE2 HIS 39 HE2 HIS 39 -11.858 -11.337 -4.176
344 H SER 40 H SER 40 -6.045 -9.291 -2.209
345 HA SER 40 HA SER 40 -3.359 -8.434 -2.516
346 HB2 SER 40 HB2 SER 40 -4.976 -8.924 -0.371
347 HB3 SER 40 HB3 SER 40 -3.867 -10.285 -0.273
348 HG SER 40 HG SER 40 -2.150 -8.771 -0.368
349 H GLY 41 H GLY 41 -1.510 -9.472 -3.005
350 HA2 GLY 41 HA2 GLY 41 -0.068 -11.409 -3.016
351 HA3 GLY 41 HA3 GLY 41 -1.495 -12.438 -2.989
352 H GLN 42 H GLN 42 -2.169 -10.052 -5.189
353 HA GLN 42 HA GLN 42 -1.291 -11.841 -7.411
354 HB2 GLN 42 HB2 GLN 42 -3.397 -9.658 -7.336
355 HB3 GLN 42 HB3 GLN 42 -2.973 -10.601 -8.767
356 HG2 GLN 42 HG2 GLN 42 -3.572 -12.678 -7.598
357 HG3 GLN 42 HG3 GLN 42 -3.978 -11.754 -6.152
358 HE21 GLN 42 HE21 GLN 42 -5.957 -13.353 -7.445
359 HE22 GLN 42 HE22 GLN 42 -7.120 -12.326 -8.134
360 H ALA 43 H ALA 43 0.491 -11.226 -8.477
361 HA ALA 43 HA ALA 43 0.885 -8.368 -9.122
362 HB1 ALA 43 HB1 ALA 43 3.459 -9.131 -8.502
363 HB2 ALA 43 HB2 ALA 43 2.524 -9.906 -7.224
364 HB3 ALA 43 HB3 ALA 43 2.419 -8.161 -7.461
365 H GLU 44 H GLU 44 2.156 -8.084 -11.020
366 HA GLU 44 HA GLU 44 2.363 -10.522 -12.676
367 HB2 GLU 44 HB2 GLU 44 2.662 -7.585 -13.349
368 HB3 GLU 44 HB3 GLU 44 2.809 -8.895 -14.523
369 HG2 GLU 44 HG2 GLU 44 0.364 -8.370 -12.808
370 HG3 GLU 44 HG3 GLU 44 0.529 -7.917 -14.500
371 H GLY 45 H GLY 45 4.417 -7.836 -11.556
372 HA2 GLY 45 HA2 GLY 45 6.821 -8.738 -12.802
373 HA3 GLY 45 HA3 GLY 45 6.748 -7.682 -11.389
374 H TYR 46 H TYR 46 5.731 -9.174 -9.403
375 HA TYR 46 HA TYR 46 7.163 -11.766 -9.404
376 HB2 TYR 46 HB2 TYR 46 8.843 -10.426 -8.423
377 HB3 TYR 46 HB3 TYR 46 7.670 -9.473 -7.518
378 HD1 TYR 46 HD2 TYR 46 8.121 -13.185 -7.915
379 HD2 TYR 46 HD1 TYR 46 8.016 -9.826 -5.239
380 HE1 TYR 46 HE2 TYR 46 8.347 -14.718 -5.981
381 HE2 TYR 46 HE1 TYR 46 8.236 -11.360 -3.302
382 HH TYR 46 HH TYR 46 8.591 -13.462 -2.657
383 H SER 47 H SER 47 6.160 -13.338 -8.210
384 HA SER 47 HA SER 47 3.469 -12.763 -7.263
385 HB2 SER 47 HB2 SER 47 3.279 -15.106 -6.902
386 HB3 SER 47 HB3 SER 47 4.310 -14.957 -8.322
387 HG SER 47 HG SER 47 5.060 -16.405 -6.601
388 H TYR 48 H TYR 48 2.819 -12.541 -5.142
389 HA TYR 48 HA TYR 48 4.717 -11.655 -3.203
390 HB2 TYR 48 HB2 TYR 48 1.849 -12.555 -2.948
391 HB3 TYR 48 HB3 TYR 48 2.766 -11.854 -1.619
392 HD1 TYR 48 HD1 TYR 48 1.463 -11.197 -5.037
393 HD2 TYR 48 HD2 TYR 48 3.205 -9.517 -1.495
394 HE1 TYR 48 HE1 TYR 48 0.966 -8.917 -5.876
395 HE2 TYR 48 HE2 TYR 48 2.720 -7.236 -2.333
396 HH TYR 48 HH TYR 48 1.111 -6.170 -3.915
397 H THR 49 H THR 49 4.419 -12.752 -0.852
398 HA THR 49 HA THR 49 5.836 -15.258 -0.993
399 HB THR 49 HB THR 49 4.431 -14.009 1.389
400 HG1 THR 49 HG1 THR 49 6.917 -13.561 0.153
401 HG21 THR 49 HG21 THR 49 5.165 -16.401 1.600
402 HG22 THR 49 HG22 THR 49 5.983 -15.305 2.716
403 HG23 THR 49 HG23 THR 49 6.814 -15.872 1.267
404 H ASP 50 H ASP 50 5.063 -17.355 -0.549
405 HA ASP 50 HA ASP 50 2.515 -18.086 -1.436
406 HB2 ASP 50 HB2 ASP 50 4.457 -19.639 -0.994
407 HB3 ASP 50 HB3 ASP 50 4.056 -19.553 0.721
408 H ALA 51 H ALA 51 3.523 -17.185 1.851
409 HA ALA 51 HA ALA 51 1.081 -17.901 3.155
410 HB1 ALA 51 HB1 ALA 51 1.866 -16.645 4.997
411 HB2 ALA 51 HB2 ALA 51 2.768 -15.537 3.964
412 HB3 ALA 51 HB3 ALA 51 3.342 -17.187 4.198
413 H ASN 52 H ASN 52 2.172 -14.756 1.854
414 HA ASN 52 HA ASN 52 -0.255 -13.351 2.373
415 HB2 ASN 52 HB2 ASN 52 1.842 -12.210 1.743
416 HB3 ASN 52 HB3 ASN 52 1.748 -12.924 0.132
417 HD21 ASN 52 HD21 ASN 52 1.709 -10.463 -0.455
418 HD22 ASN 52 HD22 ASN 52 0.175 -9.734 -0.520
419 H ILE 53 H ILE 53 0.805 -15.234 -0.441
420 HA ILE 53 HA ILE 53 -1.464 -14.669 -2.077
421 HB ILE 53 HB ILE 53 0.303 -17.119 -2.019
422 HG12 ILE 53 HG12 ILE 53 0.415 -14.629 -3.749
423 HG13 ILE 53 HG13 ILE 53 1.458 -14.918 -2.356
424 HG21 ILE 53 HG21 ILE 53 -1.803 -17.525 -3.219
425 HG22 ILE 53 HG22 ILE 53 -0.463 -17.407 -4.360
426 HG23 ILE 53 HG23 ILE 53 -1.567 -16.047 -4.152
427 HD11 ILE 53 HD11 ILE 53 1.404 -17.186 -4.208
428 HD12 ILE 53 HD12 ILE 53 2.786 -16.335 -3.516
429 HD13 ILE 53 HD13 ILE 53 1.996 -15.705 -4.962
430 H LYS 54 H LYS 54 -0.898 -17.141 0.408
431 HA LYS 54 HA LYS 54 -3.209 -18.718 -0.067
432 HB2 LYS 54 HB2 LYS 54 -1.413 -19.330 1.538
433 HB3 LYS 54 HB3 LYS 54 -1.963 -18.039 2.605
434 HG2 LYS 54 HG2 LYS 54 -4.194 -19.105 2.728
435 HG3 LYS 54 HG3 LYS 54 -3.605 -20.422 1.712
436 HD2 LYS 54 HD2 LYS 54 -1.825 -20.869 3.423
437 HD3 LYS 54 HD3 LYS 54 -2.582 -19.660 4.461
438 HE2 LYS 54 HE2 LYS 54 -3.776 -21.428 5.259
439 HE3 LYS 54 HE3 LYS 54 -4.739 -21.201 3.799
440 HZ1 LYS 54 HZ1 LYS 54 -2.543 -23.124 4.267
441 HZ2 LYS 54 HZ2 LYS 54 -3.055 -22.719 2.699
442 HZ3 LYS 54 HZ3 LYS 54 -4.138 -23.443 3.789
443 H LYS 55 H LYS 55 -2.772 -15.803 1.916
444 HA LYS 55 HA LYS 55 -5.714 -15.637 2.300
445 HB2 LYS 55 HB2 LYS 55 -3.388 -14.125 3.530
446 HB3 LYS 55 HB3 LYS 55 -5.077 -13.785 3.881
447 HG2 LYS 55 HG2 LYS 55 -5.361 -16.151 4.632
448 HG3 LYS 55 HG3 LYS 55 -3.632 -16.399 4.380
449 HD2 LYS 55 HD2 LYS 55 -3.168 -14.549 5.989
450 HD3 LYS 55 HD3 LYS 55 -4.901 -14.421 6.297
451 HE2 LYS 55 HE2 LYS 55 -3.724 -17.140 6.538
452 HE3 LYS 55 HE3 LYS 55 -3.268 -15.977 7.783
453 HZ1 LYS 55 HZ1 LYS 55 -5.204 -16.471 8.726
454 HZ2 LYS 55 HZ2 LYS 55 -5.773 -17.289 7.349
455 HZ3 LYS 55 HZ3 LYS 55 -5.948 -15.603 7.473
456 H ASN 56 H ASN 56 -6.816 -14.352 0.849
457 HA ASN 56 HA ASN 56 -5.486 -11.890 -0.114
458 HB2 ASN 56 HB2 ASN 56 -5.754 -12.398 -2.428
459 HB3 ASN 56 HB3 ASN 56 -4.967 -13.795 -1.704
460 HD21 ASN 56 HD21 ASN 56 -6.469 -14.065 -4.119
461 HD22 ASN 56 HD22 ASN 56 -7.857 -14.984 -3.793
462 H VAL 57 H VAL 57 -6.926 -10.279 -0.746
463 HA VAL 57 HA VAL 57 -9.817 -10.897 -0.807
464 HB VAL 57 HB VAL 57 -8.602 -8.796 1.001
465 HG11 VAL 57 HG11 VAL 57 -11.282 -9.244 -0.066
466 HG12 VAL 57 HG12 VAL 57 -10.643 -7.847 0.801
467 HG13 VAL 57 HG13 VAL 57 -11.262 -9.234 1.697
468 HG21 VAL 57 HG21 VAL 57 -9.580 -10.239 2.817
469 HG22 VAL 57 HG22 VAL 57 -8.251 -11.004 1.945
470 HG23 VAL 57 HG23 VAL 57 -9.917 -11.463 1.592
471 H LEU 58 H LEU 58 -10.961 -9.467 -2.168
472 HA LEU 58 HA LEU 58 -9.582 -8.063 -4.180
473 HB2 LEU 58 HB2 LEU 58 -11.992 -8.590 -4.322
474 HB3 LEU 58 HB3 LEU 58 -12.321 -7.413 -3.051
475 HG LEU 58 HG LEU 58 -11.311 -5.635 -4.499
476 HD11 LEU 58 HD11 LEU 58 -11.305 -6.457 -7.023
477 HD12 LEU 58 HD12 LEU 58 -10.961 -8.019 -6.280
478 HD13 LEU 58 HD13 LEU 58 -9.876 -6.656 -6.010
479 HD21 LEU 58 HD21 LEU 58 -13.806 -6.320 -4.455
480 HD22 LEU 58 HD22 LEU 58 -13.488 -7.077 -6.016
481 HD23 LEU 58 HD23 LEU 58 -13.257 -5.341 -5.816
482 H TRP 59 H TRP 59 -8.968 -5.859 -4.397
483 HA TRP 59 HA TRP 59 -8.691 -4.474 -1.794
484 HB2 TRP 59 HB2 TRP 59 -7.114 -4.448 -4.335
485 HB3 TRP 59 HB3 TRP 59 -7.010 -3.080 -3.229
486 HD1 TRP 59 HD1 TRP 59 -5.252 -6.109 -3.912
487 HE1 TRP 59 HE1 TRP 59 -4.022 -7.010 -1.831
488 HE3 TRP 59 HE3 TRP 59 -7.583 -3.416 -0.229
489 HZ2 TRP 59 HZ2 TRP 59 -4.037 -6.664 0.994
490 HZ3 TRP 59 HZ3 TRP 59 -6.960 -3.739 2.140
491 HH2 TRP 59 HH2 TRP 59 -5.193 -5.368 2.758
492 H ASP 60 H ASP 60 -9.234 -2.331 -1.537
493 HA ASP 60 HA ASP 60 -10.524 -0.873 -3.760
494 HB2 ASP 60 HB2 ASP 60 -12.313 -2.217 -2.560
495 HB3 ASP 60 HB3 ASP 60 -11.942 -1.283 -1.110
496 H GLU 61 H GLU 61 -10.922 1.458 -3.034
497 HA GLU 61 HA GLU 61 -8.597 2.548 -1.849
498 HB2 GLU 61 HB2 GLU 61 -11.383 3.731 -2.038
499 HB3 GLU 61 HB3 GLU 61 -9.931 4.646 -1.631
500 HG2 GLU 61 HG2 GLU 61 -8.923 3.985 -3.796
501 HG3 GLU 61 HG3 GLU 61 -10.405 3.122 -4.209
502 H ASN 62 H ASN 62 -11.704 1.662 -0.388
503 HA ASN 62 HA ASN 62 -10.960 2.702 2.233
504 HB2 ASN 62 HB2 ASN 62 -13.187 0.833 1.371
505 HB3 ASN 62 HB3 ASN 62 -13.019 1.514 2.989
506 HD21 ASN 62 HD21 ASN 62 -15.313 2.094 1.375
507 HD22 ASN 62 HD22 ASN 62 -15.267 3.744 0.953
508 H ASN 63 H ASN 63 -11.114 -0.547 0.752
509 HA ASN 63 HA ASN 63 -10.393 -1.998 3.093
510 HB2 ASN 63 HB2 ASN 63 -9.920 -2.626 0.168
511 HB3 ASN 63 HB3 ASN 63 -9.708 -3.779 1.483
512 HD21 ASN 63 HD21 ASN 63 -11.649 -4.222 -0.578
513 HD22 ASN 63 HD22 ASN 63 -13.201 -4.111 0.116
514 H MET 64 H MET 64 -8.364 -0.632 0.501
515 HA MET 64 HA MET 64 -5.896 -1.649 1.507
516 HB2 MET 64 HB2 MET 64 -6.532 0.768 -0.189
517 HB3 MET 64 HB3 MET 64 -4.887 0.253 0.167
518 HG2 MET 64 HG2 MET 64 -5.606 -2.054 -0.714
519 HG3 MET 64 HG3 MET 64 -7.013 -1.228 -1.376
520 HE1 MET 64 HE1 MET 64 -2.646 -1.031 -2.458
521 HE2 MET 64 HE2 MET 64 -3.416 -1.564 -0.965
522 HE3 MET 64 HE3 MET 64 -3.073 0.149 -1.211
523 H SER 65 H SER 65 -7.769 1.232 2.327
524 HA SER 65 HA SER 65 -5.804 2.661 3.770
525 HB2 SER 65 HB2 SER 65 -8.169 3.427 3.306
526 HB3 SER 65 HB3 SER 65 -8.706 2.351 4.593
527 HG SER 65 HG SER 65 -8.109 4.710 5.029
528 H GLU 66 H GLU 66 -7.838 -0.075 4.761
529 HA GLU 66 HA GLU 66 -6.998 -0.126 7.501
530 HB2 GLU 66 HB2 GLU 66 -7.959 -2.360 5.685
531 HB3 GLU 66 HB3 GLU 66 -7.769 -2.506 7.431
532 HG2 GLU 66 HG2 GLU 66 -9.370 -0.636 7.746
533 HG3 GLU 66 HG3 GLU 66 -9.596 -0.558 5.998
534 H TYR 67 H TYR 67 -5.690 -1.582 4.541
535 HA TYR 67 HA TYR 67 -3.686 -3.187 5.811
536 HB2 TYR 67 HB2 TYR 67 -4.322 -3.417 3.419
537 HB3 TYR 67 HB3 TYR 67 -3.560 -1.864 3.086
538 HD1 TYR 67 HD1 TYR 67 -1.136 -1.574 3.268
539 HD2 TYR 67 HD2 TYR 67 -2.980 -5.398 3.934
540 HE1 TYR 67 HE1 TYR 67 1.079 -2.671 3.107
541 HE2 TYR 67 HE2 TYR 67 -0.761 -6.494 3.768
542 HH TYR 67 HH TYR 67 1.439 -6.046 2.793
543 H LEU 68 H LEU 68 -3.615 0.162 4.590
544 HA LEU 68 HA LEU 68 -0.889 0.699 4.977
545 HB2 LEU 68 HB2 LEU 68 -3.237 2.542 5.485
546 HB3 LEU 68 HB3 LEU 68 -1.572 3.059 5.239
547 HG LEU 68 HG LEU 68 -3.317 1.598 3.236
548 HD11 LEU 68 HD11 LEU 68 -2.302 4.424 3.511
549 HD12 LEU 68 HD12 LEU 68 -3.950 3.871 3.212
550 HD13 LEU 68 HD13 LEU 68 -2.740 3.767 1.935
551 HD21 LEU 68 HD21 LEU 68 -1.209 2.276 1.777
552 HD22 LEU 68 HD22 LEU 68 -1.202 0.780 2.710
553 HD23 LEU 68 HD23 LEU 68 -0.381 2.211 3.333
554 H THR 69 H THR 69 -3.511 0.610 7.363
555 HA THR 69 HA THR 69 -2.160 1.758 9.553
556 HB THR 69 HB THR 69 -3.985 -0.661 9.663
557 HG1 THR 69 HG1 THR 69 -5.478 1.279 10.076
558 HG21 THR 69 HG21 THR 69 -3.772 -0.404 11.879
559 HG22 THR 69 HG22 THR 69 -4.418 1.230 11.733
560 HG23 THR 69 HG23 THR 69 -2.680 0.957 11.630
561 H ASN 70 H ASN 70 -2.054 -1.551 8.281
562 HA ASN 70 HA ASN 70 0.576 -1.922 9.584
563 HB2 ASN 70 HB2 ASN 70 -1.370 -2.820 11.066
564 HB3 ASN 70 HB3 ASN 70 -1.482 -4.102 9.864
565 HD21 ASN 70 HD21 ASN 70 -0.775 -5.280 12.066
566 HD22 ASN 70 HD22 ASN 70 0.905 -5.496 12.246
567 H HIS 71 H HIS 71 1.921 -3.151 8.278
568 HA HIS 71 HA HIS 71 1.231 -3.602 5.583
569 HB2 HIS 71 HB2 HIS 71 3.497 -4.183 7.302
570 HB3 HIS 71 HB3 HIS 71 3.219 -5.494 6.154
571 HD1 HIS 71 HD1 HIS 71 3.890 -1.777 6.287
572 HD2 HIS 71 HD2 HIS 71 3.783 -4.848 3.460
573 HE1 HIS 71 HE1 HIS 71 4.790 -0.801 4.129
574 H ALA 72 H ALA 72 -0.070 -5.195 8.173
575 HA ALA 72 HA ALA 72 -1.103 -7.317 6.446
576 HB1 ALA 72 HB1 ALA 72 0.643 -8.031 8.809
577 HB2 ALA 72 HB2 ALA 72 1.091 -8.227 7.116
578 HB3 ALA 72 HB3 ALA 72 -0.236 -9.167 7.793
579 H LYS 73 H LYS 73 -2.385 -5.256 7.908
580 HA LYS 73 HA LYS 73 -3.329 -6.042 10.475
581 HB2 LYS 73 HB2 LYS 73 -3.683 -3.780 9.429
582 HB3 LYS 73 HB3 LYS 73 -4.898 -4.511 8.381
583 HG2 LYS 73 HG2 LYS 73 -6.162 -5.249 10.382
584 HG3 LYS 73 HG3 LYS 73 -4.965 -4.463 11.412
585 HD2 LYS 73 HD2 LYS 73 -5.475 -2.299 10.244
586 HD3 LYS 73 HD3 LYS 73 -6.781 -3.122 9.391
587 HE2 LYS 73 HE2 LYS 73 -7.008 -3.712 12.187
588 HE3 LYS 73 HE3 LYS 73 -6.854 -1.966 11.993
589 HZ1 LYS 73 HZ1 LYS 73 -8.556 -2.436 10.063
590 HZ2 LYS 73 HZ2 LYS 73 -9.073 -2.196 11.663
591 HZ3 LYS 73 HZ3 LYS 73 -8.947 -3.769 11.035
592 H TYR 74 H TYR 74 -4.551 -6.798 7.218
593 HA TYR 74 HA TYR 74 -6.421 -8.770 8.480
594 HB2 TYR 74 HB2 TYR 74 -6.679 -6.914 6.177
595 HB3 TYR 74 HB3 TYR 74 -7.384 -8.515 5.966
596 HD1 TYR 74 HD1 TYR 74 -7.270 -5.645 8.372
597 HD2 TYR 74 HD2 TYR 74 -9.482 -9.009 6.877
598 HE1 TYR 74 HE1 TYR 74 -9.220 -4.976 9.751
599 HE2 TYR 74 HE2 TYR 74 -11.431 -8.342 8.252
600 HH TYR 74 HH TYR 74 -11.418 -5.326 10.117
601 H ILE 75 H ILE 75 -3.488 -8.686 7.007
602 HA ILE 75 HA ILE 75 -3.918 -11.402 5.850
603 HB ILE 75 HB ILE 75 -2.172 -9.341 4.498
604 HG12 ILE 75 HG12 ILE 75 -5.125 -9.897 4.189
605 HG13 ILE 75 HG13 ILE 75 -4.312 -8.339 4.343
606 HG21 ILE 75 HG21 ILE 75 -1.947 -11.863 4.097
607 HG22 ILE 75 HG22 ILE 75 -2.202 -10.864 2.667
608 HG23 ILE 75 HG23 ILE 75 -3.544 -11.780 3.353
609 HD11 ILE 75 HD11 ILE 75 -3.150 -8.900 2.128
610 HD12 ILE 75 HD12 ILE 75 -4.870 -8.525 2.036
611 HD13 ILE 75 HD13 ILE 75 -4.329 -10.202 1.964
612 HA PRO 76 HA PRO 76 -0.382 -11.122 8.938
613 HB2 PRO 76 HB2 PRO 76 -1.262 -13.957 9.206
614 HB3 PRO 76 HB3 PRO 76 -0.858 -12.777 10.468
615 HG2 PRO 76 HG2 PRO 76 -3.384 -13.472 9.937
616 HG3 PRO 76 HG3 PRO 76 -2.942 -11.832 10.444
617 HD2 PRO 76 HD2 PRO 76 -3.747 -12.812 7.746
618 HD3 PRO 76 HD3 PRO 76 -3.960 -11.205 8.475
619 H GLY 77 H GLY 77 -1.201 -13.409 6.379
620 HA2 GLY 77 HA2 GLY 77 1.258 -14.818 6.230
621 HA3 GLY 77 HA3 GLY 77 0.193 -14.527 4.852
622 H THR 78 H THR 78 0.432 -11.554 5.398
623 HA THR 78 HA THR 78 2.618 -11.062 3.586
624 HB THR 78 HB THR 78 0.747 -9.326 5.160
625 HG1 THR 78 HG1 THR 78 0.874 -10.371 2.730
626 HG21 THR 78 HG21 THR 78 3.333 -8.543 3.886
627 HG22 THR 78 HG22 THR 78 2.554 -7.896 5.326
628 HG23 THR 78 HG23 THR 78 1.957 -7.460 3.726
629 H LYS 79 H LYS 79 4.644 -10.194 3.991
630 HA LYS 79 HA LYS 79 5.764 -10.673 6.645
631 HB2 LYS 79 HB2 LYS 79 7.007 -9.354 4.210
632 HB3 LYS 79 HB3 LYS 79 7.876 -9.969 5.615
633 HG2 LYS 79 HG2 LYS 79 7.042 -12.248 5.121
634 HG3 LYS 79 HG3 LYS 79 6.214 -11.624 3.692
635 HD2 LYS 79 HD2 LYS 79 8.466 -10.769 2.891
636 HD3 LYS 79 HD3 LYS 79 9.197 -11.687 4.208
637 HE2 LYS 79 HE2 LYS 79 7.379 -13.429 2.887
638 HE3 LYS 79 HE3 LYS 79 8.337 -12.633 1.635
639 HZ1 LYS 79 HZ1 LYS 79 9.117 -14.665 3.426
640 HZ2 LYS 79 HZ2 LYS 79 10.072 -13.288 3.705
641 HZ3 LYS 79 HZ3 LYS 79 10.000 -13.976 2.154
642 H MET 80 H MET 80 6.568 -9.037 8.066
643 HA MET 80 HA MET 80 5.384 -6.340 7.588
644 HB2 MET 80 HB2 MET 80 6.404 -7.652 10.127
645 HB3 MET 80 HB3 MET 80 5.752 -6.016 10.036
646 HG2 MET 80 HG2 MET 80 3.626 -6.976 9.113
647 HG3 MET 80 HG3 MET 80 4.283 -8.588 9.397
648 HE1 MET 80 HE1 MET 80 5.361 -9.259 11.421
649 HE2 MET 80 HE2 MET 80 4.710 -9.002 13.038
650 HE3 MET 80 HE3 MET 80 5.924 -7.897 12.399
651 H ALA 81 H ALA 81 6.725 -4.537 7.439
652 HA ALA 81 HA ALA 81 9.498 -4.633 8.329
653 HB1 ALA 81 HB1 ALA 81 8.812 -4.876 5.404
654 HB2 ALA 81 HB2 ALA 81 9.961 -5.825 6.347
655 HB3 ALA 81 HB3 ALA 81 10.333 -4.153 5.927
656 H PHE 82 H PHE 82 6.819 -2.916 8.048
657 HA PHE 82 HA PHE 82 8.184 -0.389 7.220
658 HB2 PHE 82 HB2 PHE 82 6.016 -0.967 6.080
659 HB3 PHE 82 HB3 PHE 82 5.216 -0.833 7.647
660 HD1 PHE 82 HD1 PHE 82 7.353 1.032 5.227
661 HD2 PHE 82 HD2 PHE 82 4.603 1.267 8.506
662 HE1 PHE 82 HE1 PHE 82 7.265 3.492 4.977
663 HE2 PHE 82 HE2 PHE 82 4.519 3.728 8.263
664 HZ PHE 82 HZ PHE 82 5.845 4.845 6.490
665 H GLY 83 H GLY 83 8.262 1.361 8.673
666 HA2 GLY 83 HA2 GLY 83 8.477 0.808 11.433
667 HA3 GLY 83 HA3 GLY 83 8.285 2.425 10.764
668 H GLY 84 H GLY 84 5.703 2.183 9.643
669 HA2 GLY 84 HA2 GLY 84 3.449 1.376 10.448
670 HA3 GLY 84 HA3 GLY 84 4.037 1.668 12.081
671 H LEU 85 H LEU 85 1.939 2.915 10.007
672 HA LEU 85 HA LEU 85 2.682 5.767 10.269
673 HB2 LEU 85 HB2 LEU 85 0.145 4.586 9.114
674 HB3 LEU 85 HB3 LEU 85 0.811 6.189 8.828
675 HG LEU 85 HG LEU 85 2.268 3.651 8.053
676 HD11 LEU 85 HD11 LEU 85 0.678 5.450 6.218
677 HD12 LEU 85 HD12 LEU 85 0.012 3.970 6.914
678 HD13 LEU 85 HD13 LEU 85 1.408 3.886 5.838
679 HD21 LEU 85 HD21 LEU 85 2.546 6.510 7.070
680 HD22 LEU 85 HD22 LEU 85 3.576 5.148 6.639
681 HD23 LEU 85 HD23 LEU 85 3.600 5.785 8.278
682 H LYS 86 H LYS 86 2.561 5.495 12.697
683 HA LYS 86 HA LYS 86 0.149 4.914 14.070
684 HB2 LYS 86 HB2 LYS 86 2.394 5.180 15.147
685 HB3 LYS 86 HB3 LYS 86 2.268 6.921 14.894
686 HG2 LYS 86 HG2 LYS 86 0.170 6.943 16.225
687 HG3 LYS 86 HG3 LYS 86 0.361 5.214 16.522
688 HD2 LYS 86 HD2 LYS 86 2.595 5.697 17.556
689 HD3 LYS 86 HD3 LYS 86 2.253 7.419 17.383
690 HE2 LYS 86 HE2 LYS 86 0.120 7.015 18.702
691 HE3 LYS 86 HE3 LYS 86 0.736 5.399 19.050
692 HZ1 LYS 86 HZ1 LYS 86 1.230 7.462 20.604
693 HZ2 LYS 86 HZ2 LYS 86 2.535 7.645 19.531
694 HZ3 LYS 86 HZ3 LYS 86 2.343 6.198 20.402
695 H LYS 87 H LYS 87 1.300 7.901 12.572
696 HA LYS 87 HA LYS 87 -0.990 9.434 13.579
697 HB2 LYS 87 HB2 LYS 87 1.146 10.111 11.533
698 HB3 LYS 87 HB3 LYS 87 -0.066 11.244 12.133
699 HG2 LYS 87 HG2 LYS 87 0.775 10.852 14.452
700 HG3 LYS 87 HG3 LYS 87 2.048 9.830 13.785
701 HD2 LYS 87 HD2 LYS 87 2.814 11.764 12.398
702 HD3 LYS 87 HD3 LYS 87 1.611 12.773 13.204
703 HE2 LYS 87 HE2 LYS 87 2.766 11.796 15.391
704 HE3 LYS 87 HE3 LYS 87 4.133 11.592 14.295
705 HZ1 LYS 87 HZ1 LYS 87 3.041 14.111 13.825
706 HZ2 LYS 87 HZ2 LYS 87 4.555 13.739 14.500
707 HZ3 LYS 87 HZ3 LYS 87 3.202 13.948 15.506
708 H GLU 88 H GLU 88 -2.927 9.566 12.564
709 HA GLU 88 HA GLU 88 -3.529 8.001 10.245
710 HB2 GLU 88 HB2 GLU 88 -5.044 10.286 11.518
711 HB3 GLU 88 HB3 GLU 88 -5.703 9.224 10.277
712 HG2 GLU 88 HG2 GLU 88 -5.286 7.272 11.760
713 HG3 GLU 88 HG3 GLU 88 -4.707 8.372 13.012
714 H LYS 89 H LYS 89 -2.483 11.317 10.669
715 HA LYS 89 HA LYS 89 -3.273 12.424 8.201
716 HB2 LYS 89 HB2 LYS 89 -0.768 12.906 9.833
717 HB3 LYS 89 HB3 LYS 89 -1.295 13.925 8.498
718 HG2 LYS 89 HG2 LYS 89 -3.458 14.304 9.690
719 HG3 LYS 89 HG3 LYS 89 -2.828 13.378 11.054
720 HD2 LYS 89 HD2 LYS 89 -0.924 14.988 11.214
721 HD3 LYS 89 HD3 LYS 89 -1.670 15.948 9.936
722 HE2 LYS 89 HE2 LYS 89 -3.782 15.916 11.458
723 HE3 LYS 89 HE3 LYS 89 -2.659 15.454 12.737
724 HZ1 LYS 89 HZ1 LYS 89 -1.324 17.470 11.715
725 HZ2 LYS 89 HZ2 LYS 89 -2.508 17.692 12.913
726 HZ3 LYS 89 HZ3 LYS 89 -2.884 17.973 11.280
727 H ASP 90 H ASP 90 -0.341 10.535 8.973
728 HA ASP 90 HA ASP 90 0.832 10.755 6.375
729 HB2 ASP 90 HB2 ASP 90 1.059 8.521 8.419
730 HB3 ASP 90 HB3 ASP 90 2.117 8.740 7.026
731 H ARG 91 H ARG 91 -1.191 8.191 7.823
732 HA ARG 91 HA ARG 91 -1.355 6.547 5.519
733 HB2 ARG 91 HB2 ARG 91 -2.114 5.818 7.741
734 HB3 ARG 91 HB3 ARG 91 -3.435 6.985 7.678
735 HG2 ARG 91 HG2 ARG 91 -4.410 5.866 5.762
736 HG3 ARG 91 HG3 ARG 91 -3.029 4.777 5.651
737 HD2 ARG 91 HD2 ARG 91 -4.813 3.587 6.770
738 HD3 ARG 91 HD3 ARG 91 -3.583 3.967 7.976
739 HE ARG 91 HE ARG 91 -5.254 6.098 8.232
740 HH11 ARG 91 HH21 ARG 91 -5.782 2.703 7.953
741 HH12 ARG 91 HH22 ARG 91 -7.231 2.715 8.901
742 HH21 ARG 91 HH11 ARG 91 -7.144 6.135 9.472
743 HH22 ARG 91 HH12 ARG 91 -8.003 4.658 9.760
744 H ASN 92 H ASN 92 -3.505 9.214 6.543
745 HA ASN 92 HA ASN 92 -5.333 8.950 4.365
746 HB2 ASN 92 HB2 ASN 92 -4.570 11.339 6.057
747 HB3 ASN 92 HB3 ASN 92 -5.882 11.356 4.885
748 HD21 ASN 92 HD21 ASN 92 -6.783 11.831 7.367
749 HD22 ASN 92 HD22 ASN 92 -7.490 10.459 8.073
750 H ASP 93 H ASP 93 -2.392 10.905 4.742
751 HA ASP 93 HA ASP 93 -2.589 12.284 2.255
752 HB2 ASP 93 HB2 ASP 93 -0.148 11.465 3.858
753 HB3 ASP 93 HB3 ASP 93 -0.116 12.588 2.499
754 H LEU 94 H LEU 94 -1.161 9.155 3.102
755 HA LEU 94 HA LEU 94 0.110 8.557 0.652
756 HB2 LEU 94 HB2 LEU 94 -0.813 7.083 2.984
757 HB3 LEU 94 HB3 LEU 94 -1.004 6.144 1.505
758 HG LEU 94 HG LEU 94 1.556 7.595 2.173
759 HD11 LEU 94 HD11 LEU 94 1.383 6.082 3.970
760 HD12 LEU 94 HD12 LEU 94 2.284 5.163 2.764
761 HD13 LEU 94 HD13 LEU 94 0.558 4.871 2.987
762 HD21 LEU 94 HD21 LEU 94 2.366 6.630 0.277
763 HD22 LEU 94 HD22 LEU 94 0.665 6.454 -0.159
764 HD23 LEU 94 HD23 LEU 94 1.528 5.109 0.585
765 H ILE 95 H ILE 95 -3.080 7.346 1.661
766 HA ILE 95 HA ILE 95 -3.869 6.322 -0.801
767 HB ILE 95 HB ILE 95 -5.619 7.621 1.292
768 HG12 ILE 95 HG12 ILE 95 -4.526 4.808 0.963
769 HG13 ILE 95 HG13 ILE 95 -4.136 5.942 2.254
770 HG21 ILE 95 HG21 ILE 95 -6.212 5.474 -0.760
771 HG22 ILE 95 HG22 ILE 95 -6.721 7.156 -0.895
772 HG23 ILE 95 HG23 ILE 95 -7.351 6.145 0.405
773 HD11 ILE 95 HD11 ILE 95 -6.947 5.792 2.228
774 HD12 ILE 95 HD12 ILE 95 -5.860 5.106 3.434
775 HD13 ILE 95 HD13 ILE 95 -6.384 4.130 2.062
776 H THR 96 H THR 96 -4.113 9.656 0.373
777 HA THR 96 HA THR 96 -5.732 10.705 -1.686
778 HB THR 96 HB THR 96 -3.327 12.100 -0.486
779 HG1 THR 96 HG1 THR 96 -4.324 11.646 1.315
780 HG21 THR 96 HG21 THR 96 -4.595 13.190 -2.355
781 HG22 THR 96 HG22 THR 96 -4.634 14.099 -0.844
782 HG23 THR 96 HG23 THR 96 -6.032 13.144 -1.337
783 H TYR 97 H TYR 97 -2.253 10.037 -1.572
784 HA TYR 97 HA TYR 97 -1.806 11.022 -4.282
785 HB2 TYR 97 HB2 TYR 97 0.019 11.177 -2.704
786 HB3 TYR 97 HB3 TYR 97 -0.068 9.448 -2.367
787 HD1 TYR 97 HD1 TYR 97 0.632 11.936 -5.060
788 HD2 TYR 97 HD2 TYR 97 1.040 7.876 -3.729
789 HE1 TYR 97 HE1 TYR 97 2.175 11.472 -6.948
790 HE2 TYR 97 HE2 TYR 97 2.577 7.408 -5.612
791 HH TYR 97 HH TYR 97 3.369 8.199 -7.579
792 H LEU 98 H LEU 98 -1.887 7.799 -2.735
793 HA LEU 98 HA LEU 98 -1.404 6.272 -5.075
794 HB2 LEU 98 HB2 LEU 98 -3.257 5.521 -2.799
795 HB3 LEU 98 HB3 LEU 98 -2.453 4.414 -3.903
796 HG LEU 98 HG LEU 98 -0.964 6.309 -2.062
797 HD11 LEU 98 HD11 LEU 98 -2.093 3.582 -1.649
798 HD12 LEU 98 HD12 LEU 98 -1.795 4.864 -0.475
799 HD13 LEU 98 HD13 LEU 98 -0.459 3.867 -1.049
800 HD21 LEU 98 HD21 LEU 98 0.438 5.688 -3.866
801 HD22 LEU 98 HD22 LEU 98 -0.200 4.045 -3.905
802 HD23 LEU 98 HD23 LEU 98 0.850 4.554 -2.582
803 H LYS 99 H LYS 99 -4.454 7.488 -3.714
804 HA LYS 99 HA LYS 99 -6.195 6.327 -5.641
805 HB2 LYS 99 HB2 LYS 99 -6.965 7.409 -3.544
806 HB3 LYS 99 HB3 LYS 99 -6.508 8.973 -4.212
807 HG2 LYS 99 HG2 LYS 99 -8.073 8.601 -6.107
808 HG3 LYS 99 HG3 LYS 99 -8.571 7.078 -5.368
809 HD2 LYS 99 HD2 LYS 99 -9.258 8.344 -3.325
810 HD3 LYS 99 HD3 LYS 99 -8.873 9.845 -4.167
811 HE2 LYS 99 HE2 LYS 99 -10.497 9.195 -5.960
812 HE3 LYS 99 HE3 LYS 99 -10.952 7.796 -4.985
813 HZ1 LYS 99 HZ1 LYS 99 -11.399 9.462 -3.155
814 HZ2 LYS 99 HZ2 LYS 99 -12.494 9.452 -4.454
815 HZ3 LYS 99 HZ3 LYS 99 -11.308 10.663 -4.349
816 H LYS 100 H LYS 100 -4.365 9.357 -5.667
817 HA LYS 100 HA LYS 100 -5.467 10.482 -8.037
818 HB2 LYS 100 HB2 LYS 100 -3.851 11.580 -6.411
819 HB3 LYS 100 HB3 LYS 100 -2.568 10.662 -7.186
820 HG2 LYS 100 HG2 LYS 100 -3.185 11.665 -9.370
821 HG3 LYS 100 HG3 LYS 100 -4.418 12.632 -8.560
822 HD2 LYS 100 HD2 LYS 100 -2.619 13.609 -7.111
823 HD3 LYS 100 HD3 LYS 100 -1.427 12.743 -8.081
824 HE2 LYS 100 HE2 LYS 100 -2.412 13.898 -10.120
825 HE3 LYS 100 HE3 LYS 100 -3.329 14.910 -9.003
826 HZ1 LYS 100 HZ1 LYS 100 -0.689 15.229 -9.824
827 HZ2 LYS 100 HZ2 LYS 100 -0.646 14.820 -8.175
828 HZ3 LYS 100 HZ3 LYS 100 -1.548 16.162 -8.697
829 H ALA 101 H ALA 101 -2.770 8.249 -7.554
830 HA ALA 101 HA ALA 101 -2.078 8.046 -10.352
831 HB1 ALA 101 HB1 ALA 101 -0.406 6.694 -9.610
832 HB2 ALA 101 HB2 ALA 101 -1.517 5.681 -8.687
833 HB3 ALA 101 HB3 ALA 101 -0.921 7.193 -7.999
834 H THR 102 H THR 102 -3.909 5.924 -8.143
835 HA THR 102 HA THR 102 -4.723 4.054 -10.151
836 HB THR 102 HB THR 102 -6.231 4.839 -7.635
837 HG1 THR 102 HG1 THR 102 -5.017 2.823 -6.965
838 HG21 THR 102 HG21 THR 102 -6.154 2.174 -9.060
839 HG22 THR 102 HG22 THR 102 -7.367 3.402 -9.418
840 HG23 THR 102 HG23 THR 102 -7.273 2.700 -7.803
841 H GLU 103 H GLU 103 -5.924 7.185 -9.126
842 HA GLU 103 HA GLU 103 -8.386 6.956 -10.709
843 HB2 GLU 103 HB2 GLU 103 -8.254 8.315 -8.608
844 HB3 GLU 103 HB3 GLU 103 -7.149 9.414 -9.435
845 HG2 GLU 103 HG2 GLU 103 -8.897 9.813 -11.168
846 HG3 GLU 103 HG3 GLU 103 -10.005 8.795 -10.247
847 HHA HEC 104 HA HEC 104 2.352 -6.290 0.555
848 HHB HEC 104 HB HEC 104 1.242 -0.069 0.712
849 HHC HEC 104 HC HEC 104 7.335 0.977 2.090
850 HHD HEC 104 HD HEC 104 8.467 -5.229 1.773
851 HMA1 HEC 104 1HMA HEC 104 -1.212 -2.671 -0.466
852 HMA2 HEC 104 2HMA HEC 104 -0.357 -1.130 -0.534
853 HMA3 HEC 104 3HMA HEC 104 -1.085 -1.668 0.978
854 HAA1 HEC 104 1HAA HEC 104 0.241 -5.990 0.803
855 HAA2 HEC 104 2HAA HEC 104 -0.923 -4.752 1.208
856 HBA1 HEC 104 1HBA HEC 104 -0.446 -4.520 -1.567
857 HBA2 HEC 104 2HBA HEC 104 -1.911 -5.080 -0.768
858 HMB1 HEC 104 1HMB HEC 104 1.644 2.210 0.570
859 HMB2 HEC 104 2HMB HEC 104 1.802 2.169 2.326
860 HMB3 HEC 104 3HMB HEC 104 2.728 3.337 1.384
861 HAB HEC 104 HAB HEC 104 6.447 2.860 1.667
862 HBB1 HEC 104 1HBB HEC 104 4.068 3.278 3.235
863 HBB2 HEC 104 2HBB HEC 104 4.489 4.742 2.346
864 HBB3 HEC 104 3HBB HEC 104 5.666 3.998 3.425
865 HMC1 HEC 104 1HMC HEC 104 10.628 -0.664 2.933
866 HMC2 HEC 104 2HMC HEC 104 9.782 0.569 1.998
867 HMC3 HEC 104 3HMC HEC 104 9.244 0.176 3.634
868 HAC HEC 104 HAC HEC 104 10.324 -4.147 1.493
869 HBC1 HEC 104 1HBC HEC 104 10.558 -2.703 4.029
870 HBC2 HEC 104 2HBC HEC 104 11.152 -4.306 3.596
871 HBC3 HEC 104 3HBC HEC 104 12.103 -2.875 3.196
872 HMD1 HEC 104 1HMD HEC 104 7.408 -7.711 2.684
873 HMD2 HEC 104 2HMD HEC 104 8.236 -7.404 1.158
874 HMD3 HEC 104 3HMD HEC 104 6.983 -8.637 1.246
875 HAD1 HEC 104 1HAD HEC 104 4.932 -8.556 -0.351
876 HAD2 HEC 104 2HAD HEC 104 3.372 -8.115 0.291
877 HBD1 HEC 104 1HBD HEC 104 3.555 -9.623 1.918
878 HBD2 HEC 104 2HBD HEC 104 5.077 -8.914 2.456
Start of MODEL 12
1 H1 THR -5 H1 THR -5 -15.011 3.630 3.101
2 H2 THR -5 H2 THR -5 -15.428 2.064 2.592
3 H3 THR -5 H3 THR -5 -16.612 3.091 3.247
4 HA THR -5 HA THR -5 -15.652 2.898 0.560
5 HB THR -5 HB THR -5 -17.973 4.355 1.862
6 HG1 THR -5 HG1 THR -5 -18.415 2.085 0.401
7 HG21 THR -5 HG21 THR -5 -17.135 3.879 -0.972
8 HG22 THR -5 HG22 THR -5 -17.874 5.308 -0.250
9 HG23 THR -5 HG23 THR -5 -18.856 3.882 -0.587
10 H GLU -4 H GLU -4 -16.091 5.561 2.897
11 HA GLU -4 HA GLU -4 -14.635 7.346 0.991
12 HB2 GLU -4 HB2 GLU -4 -16.395 8.051 3.360
13 HB3 GLU -4 HB3 GLU -4 -15.615 9.210 2.284
14 HG2 GLU -4 HG2 GLU -4 -16.857 8.224 0.366
15 HG3 GLU -4 HG3 GLU -4 -17.686 7.142 1.485
16 H PHE -3 H PHE -3 -12.900 8.637 1.828
17 HA PHE -3 HA PHE -3 -11.927 7.903 4.540
18 HB2 PHE -3 HB2 PHE -3 -9.656 7.577 3.685
19 HB3 PHE -3 HB3 PHE -3 -10.762 6.473 2.868
20 HD1 PHE -3 HD2 PHE -3 -11.540 6.961 0.551
21 HD2 PHE -3 HD1 PHE -3 -8.550 9.352 2.498
22 HE1 PHE -3 HE2 PHE -3 -10.883 7.923 -1.639
23 HE2 PHE -3 HE1 PHE -3 -7.894 10.315 0.308
24 HZ PHE -3 HZ PHE -3 -9.060 9.600 -1.760
25 H LYS -2 H LYS -2 -10.256 9.474 5.321
26 HA LYS -2 HA LYS -2 -10.994 12.196 4.480
27 HB2 LYS -2 HB2 LYS -2 -9.055 11.312 6.637
28 HB3 LYS -2 HB3 LYS -2 -9.745 12.922 6.440
29 HG2 LYS -2 HG2 LYS -2 -11.380 10.422 6.946
30 HG3 LYS -2 HG3 LYS -2 -10.895 11.558 8.203
31 HD2 LYS -2 HD2 LYS -2 -12.020 13.370 6.763
32 HD3 LYS -2 HD3 LYS -2 -12.754 12.036 5.870
33 HE2 LYS -2 HE2 LYS -2 -14.376 12.114 7.449
34 HE3 LYS -2 HE3 LYS -2 -13.205 11.292 8.480
35 HZ1 LYS -2 HZ1 LYS -2 -13.124 13.069 9.773
36 HZ2 LYS -2 HZ2 LYS -2 -14.295 13.836 8.811
37 HZ3 LYS -2 HZ3 LYS -2 -12.643 14.043 8.470
38 H ALA -1 H ALA -1 -9.594 13.640 3.467
39 HA ALA -1 HA ALA -1 -7.111 12.433 2.366
40 HB1 ALA -1 HB1 ALA -1 -8.807 14.784 1.504
41 HB2 ALA -1 HB2 ALA -1 -8.544 13.269 0.639
42 HB3 ALA -1 HB3 ALA -1 -7.230 14.435 0.797
43 H GLY 1 H GLY 1 -5.689 14.726 1.758
44 HA2 GLY 1 HA2 GLY 1 -5.470 16.531 4.012
45 HA3 GLY 1 HA3 GLY 1 -4.217 15.289 4.056
46 H SER 2 H SER 2 -2.842 15.090 2.088
47 HA SER 2 HA SER 2 -2.863 17.342 0.213
48 HB2 SER 2 HB2 SER 2 -0.844 18.342 0.849
49 HB3 SER 2 HB3 SER 2 -1.577 17.982 2.409
50 HG SER 2 HG SER 2 0.397 16.501 1.008
51 H ALA 3 H ALA 3 -2.530 16.310 -1.686
52 HA ALA 3 HA ALA 3 -1.395 13.675 -1.871
53 HB1 ALA 3 HB1 ALA 3 -1.911 13.799 -4.120
54 HB2 ALA 3 HB2 ALA 3 -1.418 15.488 -4.247
55 HB3 ALA 3 HB3 ALA 3 -2.965 15.074 -3.509
56 H LYS 4 H LYS 4 -0.043 16.904 -2.108
57 HA LYS 4 HA LYS 4 2.374 16.356 -3.446
58 HB2 LYS 4 HB2 LYS 4 2.880 18.126 -1.221
59 HB3 LYS 4 HB3 LYS 4 2.788 18.511 -2.936
60 HG2 LYS 4 HG2 LYS 4 0.386 18.234 -1.102
61 HG3 LYS 4 HG3 LYS 4 1.118 19.764 -1.575
62 HD2 LYS 4 HD2 LYS 4 0.254 19.694 -3.683
63 HD3 LYS 4 HD3 LYS 4 0.444 17.947 -3.818
64 HE2 LYS 4 HE2 LYS 4 -1.588 17.508 -2.763
65 HE3 LYS 4 HE3 LYS 4 -1.592 19.049 -1.906
66 HZ1 LYS 4 HZ1 LYS 4 -1.776 20.061 -4.229
67 HZ2 LYS 4 HZ2 LYS 4 -3.161 19.331 -3.570
68 HZ3 LYS 4 HZ3 LYS 4 -2.237 18.510 -4.735
69 H LYS 5 H LYS 5 1.986 16.496 0.121
70 HA LYS 5 HA LYS 5 4.487 15.256 0.677
71 HB2 LYS 5 HB2 LYS 5 1.945 15.340 2.310
72 HB3 LYS 5 HB3 LYS 5 3.515 14.844 2.930
73 HG2 LYS 5 HG2 LYS 5 4.432 17.072 2.271
74 HG3 LYS 5 HG3 LYS 5 2.806 17.561 1.795
75 HD2 LYS 5 HD2 LYS 5 2.027 17.072 4.119
76 HD3 LYS 5 HD3 LYS 5 3.697 16.733 4.571
77 HE2 LYS 5 HE2 LYS 5 3.917 18.936 5.003
78 HE3 LYS 5 HE3 LYS 5 3.825 19.199 3.262
79 HZ1 LYS 5 HZ1 LYS 5 2.013 20.379 3.749
80 HZ2 LYS 5 HZ2 LYS 5 1.862 19.710 5.303
81 HZ3 LYS 5 HZ3 LYS 5 1.237 18.885 3.956
82 H GLY 6 H GLY 6 1.245 13.913 0.209
83 HA2 GLY 6 HA2 GLY 6 1.826 11.236 0.975
84 HA3 GLY 6 HA3 GLY 6 0.550 11.703 -0.147
85 H ALA 7 H ALA 7 2.181 12.895 -2.147
86 HA ALA 7 HA ALA 7 2.944 10.568 -3.635
87 HB1 ALA 7 HB1 ALA 7 4.067 13.273 -4.284
88 HB2 ALA 7 HB2 ALA 7 2.327 13.012 -4.423
89 HB3 ALA 7 HB3 ALA 7 3.445 12.034 -5.374
90 H THR 8 H THR 8 4.872 13.035 -1.937
91 HA THR 8 HA THR 8 7.380 11.714 -2.564
92 HB THR 8 HB THR 8 8.380 13.369 -1.119
93 HG1 THR 8 HG1 THR 8 7.251 13.698 0.624
94 HG21 THR 8 HG21 THR 8 8.026 14.855 -2.763
95 HG22 THR 8 HG22 THR 8 6.488 15.290 -2.018
96 HG23 THR 8 HG23 THR 8 6.552 14.006 -3.226
97 H LEU 9 H LEU 9 5.039 11.571 0.061
98 HA LEU 9 HA LEU 9 6.647 10.362 2.052
99 HB2 LEU 9 HB2 LEU 9 4.272 11.132 2.360
100 HB3 LEU 9 HB3 LEU 9 3.748 9.721 1.442
101 HG LEU 9 HG LEU 9 4.974 8.276 3.103
102 HD11 LEU 9 HD11 LEU 9 6.440 9.354 4.442
103 HD12 LEU 9 HD12 LEU 9 5.040 9.931 5.344
104 HD13 LEU 9 HD13 LEU 9 5.738 10.926 4.067
105 HD21 LEU 9 HD21 LEU 9 3.190 9.523 4.959
106 HD22 LEU 9 HD22 LEU 9 2.919 8.071 3.997
107 HD23 LEU 9 HD23 LEU 9 2.483 9.652 3.348
108 H PHE 10 H PHE 10 4.822 8.906 -0.628
109 HA PHE 10 HA PHE 10 5.506 6.201 -0.010
110 HB2 PHE 10 HB2 PHE 10 3.706 6.861 -1.622
111 HB3 PHE 10 HB3 PHE 10 4.960 7.396 -2.744
112 HD1 PHE 10 HD1 PHE 10 6.536 5.758 -3.752
113 HD2 PHE 10 HD2 PHE 10 3.266 4.513 -1.256
114 HE1 PHE 10 HE1 PHE 10 6.788 3.434 -4.579
115 HE2 PHE 10 HE2 PHE 10 3.521 2.188 -2.083
116 HZ PHE 10 HZ PHE 10 5.285 1.644 -3.743
117 H LYS 11 H LYS 11 6.988 8.614 -2.143
118 HA LYS 11 HA LYS 11 9.104 6.973 -3.093
119 HB2 LYS 11 HB2 LYS 11 9.006 9.974 -2.717
120 HB3 LYS 11 HB3 LYS 11 10.192 9.111 -3.690
121 HG2 LYS 11 HG2 LYS 11 8.312 8.174 -5.056
122 HG3 LYS 11 HG3 LYS 11 7.202 9.199 -4.147
123 HD2 LYS 11 HD2 LYS 11 8.527 11.194 -4.862
124 HD3 LYS 11 HD3 LYS 11 9.514 10.134 -5.868
125 HE2 LYS 11 HE2 LYS 11 7.989 10.392 -7.504
126 HE3 LYS 11 HE3 LYS 11 6.855 9.484 -6.505
127 HZ1 LYS 11 HZ1 LYS 11 6.057 11.474 -5.534
128 HZ2 LYS 11 HZ2 LYS 11 6.079 11.731 -7.213
129 HZ3 LYS 11 HZ3 LYS 11 7.291 12.404 -6.231
130 H THR 12 H THR 12 8.761 8.908 -0.177
131 HA THR 12 HA THR 12 11.574 8.682 0.528
132 HB THR 12 HB THR 12 10.920 9.844 2.566
133 HG1 THR 12 HG1 THR 12 8.277 9.460 1.623
134 HG21 THR 12 HG21 THR 12 9.246 11.524 1.081
135 HG22 THR 12 HG22 THR 12 10.267 10.732 -0.119
136 HG23 THR 12 HG23 THR 12 11.002 11.636 1.206
137 H ARG 13 H ARG 13 8.973 6.460 0.840
138 HA ARG 13 HA ARG 13 10.608 5.003 2.865
139 HB2 ARG 13 HB2 ARG 13 7.634 5.500 3.116
140 HB3 ARG 13 HB3 ARG 13 8.585 4.456 4.172
141 HG2 ARG 13 HG2 ARG 13 10.037 6.432 4.715
142 HG3 ARG 13 HG3 ARG 13 8.924 7.444 3.792
143 HD2 ARG 13 HD2 ARG 13 8.230 7.610 6.078
144 HD3 ARG 13 HD3 ARG 13 7.067 6.547 5.287
145 HE ARG 13 HE ARG 13 7.967 4.701 6.511
146 HH11 ARG 13 HH21 ARG 13 9.754 7.629 6.915
147 HH12 ARG 13 HH22 ARG 13 10.646 7.047 8.279
148 HH21 ARG 13 HH11 ARG 13 9.127 3.932 8.287
149 HH22 ARG 13 HH12 ARG 13 10.294 4.956 9.054
150 H CYS 14 H CYS 14 7.495 4.547 1.104
151 HA CYS 14 HA CYS 14 7.722 1.715 1.023
152 HB2 CYS 14 HB2 CYS 14 6.389 3.142 -1.223
153 HB3 CYS 14 HB3 CYS 14 5.847 1.730 -0.325
154 H LEU 15 H LEU 15 8.990 4.147 -1.197
155 HA LEU 15 HA LEU 15 9.705 2.418 -3.327
156 HB2 LEU 15 HB2 LEU 15 9.832 4.906 -3.381
157 HB3 LEU 15 HB3 LEU 15 11.258 4.831 -2.348
158 HG LEU 15 HG LEU 15 12.114 3.164 -4.228
159 HD11 LEU 15 HD11 LEU 15 10.224 4.968 -5.765
160 HD12 LEU 15 HD12 LEU 15 9.905 3.267 -5.433
161 HD13 LEU 15 HD13 LEU 15 11.281 3.727 -6.435
162 HD21 LEU 15 HD21 LEU 15 13.047 5.181 -5.432
163 HD22 LEU 15 HD22 LEU 15 13.257 5.226 -3.681
164 HD23 LEU 15 HD23 LEU 15 11.987 6.185 -4.443
165 H GLN 16 H GLN 16 11.276 3.015 -0.227
166 HA GLN 16 HA GLN 16 13.819 1.921 -0.738
167 HB2 GLN 16 HB2 GLN 16 12.130 1.729 1.772
168 HB3 GLN 16 HB3 GLN 16 13.850 1.348 1.693
169 HG2 GLN 16 HG2 GLN 16 14.347 3.637 0.961
170 HG3 GLN 16 HG3 GLN 16 12.628 4.030 0.978
171 HE21 GLN 16 HE21 GLN 16 14.438 5.484 2.625
172 HE22 GLN 16 HE22 GLN 16 14.128 5.100 4.249
173 H CYS 17 H CYS 17 10.763 0.236 -0.032
174 HA CYS 17 HA CYS 17 12.198 -2.358 -0.337
175 HB2 CYS 17 HB2 CYS 17 9.506 -1.615 0.793
176 HB3 CYS 17 HB3 CYS 17 9.916 -3.284 0.407
177 H HIS 18 H HIS 18 8.813 -1.695 -1.131
178 HA HIS 18 HA HIS 18 9.438 -2.580 -3.912
179 HB2 HIS 18 HB2 HIS 18 7.094 -3.355 -3.994
180 HB3 HIS 18 HB3 HIS 18 8.015 -4.179 -2.744
181 HD1 HIS 18 HD1 HIS 18 5.437 -1.450 -3.214
182 HD2 HIS 18 HD2 HIS 18 7.033 -3.786 -0.144
183 HE1 HIS 18 HE1 HIS 18 3.985 -1.045 -1.169
184 H THR 19 H THR 19 8.576 -1.406 -5.604
185 HA THR 19 HA THR 19 7.515 1.284 -4.869
186 HB THR 19 HB THR 19 8.496 2.104 -6.846
187 HG1 THR 19 HG1 THR 19 8.778 0.902 -8.607
188 HG21 THR 19 HG21 THR 19 10.386 -0.179 -6.355
189 HG22 THR 19 HG22 THR 19 10.107 1.017 -5.090
190 HG23 THR 19 HG23 THR 19 10.751 1.520 -6.652
191 H VAL 20 H VAL 20 5.857 2.194 -6.359
192 HA VAL 20 HA VAL 20 4.065 0.048 -7.427
193 HB VAL 20 HB VAL 20 2.193 1.624 -6.988
194 HG11 VAL 20 HG11 VAL 20 2.130 0.391 -5.099
195 HG12 VAL 20 HG12 VAL 20 3.003 1.708 -4.317
196 HG13 VAL 20 HG13 VAL 20 3.889 0.344 -4.995
197 HG21 VAL 20 HG21 VAL 20 3.349 3.743 -7.137
198 HG22 VAL 20 HG22 VAL 20 4.436 3.298 -5.822
199 HG23 VAL 20 HG23 VAL 20 2.729 3.594 -5.493
200 H GLU 21 H GLU 21 6.279 1.940 -8.591
201 HA GLU 21 HA GLU 21 4.816 3.523 -10.556
202 HB2 GLU 21 HB2 GLU 21 7.111 4.116 -9.726
203 HB3 GLU 21 HB3 GLU 21 7.736 2.700 -10.573
204 HG2 GLU 21 HG2 GLU 21 6.809 3.607 -12.703
205 HG3 GLU 21 HG3 GLU 21 6.306 5.057 -11.834
206 H LYS 22 H LYS 22 4.528 2.997 -12.764
207 HA LYS 22 HA LYS 22 4.031 0.294 -13.414
208 HB2 LYS 22 HB2 LYS 22 4.689 2.607 -15.264
209 HB3 LYS 22 HB3 LYS 22 3.992 1.071 -15.781
210 HG2 LYS 22 HG2 LYS 22 2.069 1.469 -14.240
211 HG3 LYS 22 HG3 LYS 22 2.744 3.054 -13.858
212 HD2 LYS 22 HD2 LYS 22 2.652 3.631 -16.289
213 HD3 LYS 22 HD3 LYS 22 1.848 2.089 -16.588
214 HE2 LYS 22 HE2 LYS 22 -0.073 3.247 -16.236
215 HE3 LYS 22 HE3 LYS 22 0.345 3.118 -14.529
216 HZ1 LYS 22 HZ1 LYS 22 1.374 5.230 -14.576
217 HZ2 LYS 22 HZ2 LYS 22 -0.134 5.417 -15.336
218 HZ3 LYS 22 HZ3 LYS 22 1.284 5.327 -16.267
219 H GLY 23 H GLY 23 5.458 -1.341 -13.694
220 HA2 GLY 23 HA2 GLY 23 7.354 -2.473 -14.538
221 HA3 GLY 23 HA3 GLY 23 7.886 -0.961 -15.272
222 H GLY 24 H GLY 24 7.064 -0.902 -11.899
223 HA2 GLY 24 HA2 GLY 24 9.655 0.045 -11.155
224 HA3 GLY 24 HA3 GLY 24 8.408 -0.473 -10.025
225 HA PRO 25 HA PRO 25 11.745 -3.884 -10.784
226 HB2 PRO 25 HB2 PRO 25 13.861 -3.150 -9.247
227 HB3 PRO 25 HB3 PRO 25 13.703 -2.665 -10.946
228 HG2 PRO 25 HG2 PRO 25 13.116 -1.110 -8.475
229 HG3 PRO 25 HG3 PRO 25 13.908 -0.590 -9.973
230 HD2 PRO 25 HD2 PRO 25 11.280 -0.050 -9.413
231 HD3 PRO 25 HD3 PRO 25 11.905 -0.229 -11.068
232 H HIS 26 H HIS 26 11.858 -5.628 -9.332
233 HA HIS 26 HA HIS 26 10.519 -5.240 -6.732
234 HB2 HIS 26 HB2 HIS 26 11.655 -7.737 -8.046
235 HB3 HIS 26 HB3 HIS 26 10.696 -7.715 -6.572
236 HD1 HIS 26 HD1 HIS 26 8.320 -6.116 -7.077
237 HD2 HIS 26 HD2 HIS 26 10.021 -8.395 -10.121
238 HE1 HIS 26 HE1 HIS 26 6.503 -6.462 -8.819
239 HE2 HIS 26 HE2 HIS 26 7.536 -7.839 -10.682
240 H LYS 27 H LYS 27 12.511 -3.802 -6.162
241 HA LYS 27 HA LYS 27 15.118 -4.730 -5.808
242 HB2 LYS 27 HB2 LYS 27 13.570 -3.026 -3.833
243 HB3 LYS 27 HB3 LYS 27 15.320 -3.072 -4.036
244 HG2 LYS 27 HG2 LYS 27 15.006 -2.328 -6.406
245 HG3 LYS 27 HG3 LYS 27 13.286 -2.138 -6.059
246 HD2 LYS 27 HD2 LYS 27 13.869 -0.551 -4.223
247 HD3 LYS 27 HD3 LYS 27 15.566 -0.682 -4.684
248 HE2 LYS 27 HE2 LYS 27 14.969 1.192 -5.905
249 HE3 LYS 27 HE3 LYS 27 14.604 -0.068 -7.085
250 HZ1 LYS 27 HZ1 LYS 27 12.525 0.650 -7.087
251 HZ2 LYS 27 HZ2 LYS 27 12.847 1.761 -5.842
252 HZ3 LYS 27 HZ3 LYS 27 12.372 0.174 -5.465
253 H VAL 28 H VAL 28 12.331 -5.169 -3.660
254 HA VAL 28 HA VAL 28 13.658 -7.553 -2.520
255 HB VAL 28 HB VAL 28 14.334 -5.521 -1.144
256 HG11 VAL 28 HG11 VAL 28 12.024 -4.468 -1.326
257 HG12 VAL 28 HG12 VAL 28 12.729 -4.491 0.288
258 HG13 VAL 28 HG13 VAL 28 11.488 -5.663 -0.144
259 HG21 VAL 28 HG21 VAL 28 14.359 -7.867 -0.300
260 HG22 VAL 28 HG22 VAL 28 12.700 -7.651 0.261
261 HG23 VAL 28 HG23 VAL 28 14.003 -6.698 0.973
262 H GLY 29 H GLY 29 10.840 -5.393 -2.258
263 HA2 GLY 29 HA2 GLY 29 9.154 -7.801 -1.747
264 HA3 GLY 29 HA3 GLY 29 8.689 -6.144 -1.355
265 HA PRO 30 HA PRO 30 7.221 -7.686 -5.689
266 HB2 PRO 30 HB2 PRO 30 4.525 -7.770 -4.938
267 HB3 PRO 30 HB3 PRO 30 5.576 -9.177 -5.133
268 HG2 PRO 30 HG2 PRO 30 4.726 -7.776 -2.671
269 HG3 PRO 30 HG3 PRO 30 5.092 -9.488 -2.934
270 HD2 PRO 30 HD2 PRO 30 6.806 -7.811 -1.641
271 HD3 PRO 30 HD3 PRO 30 7.367 -9.195 -2.606
272 H ASN 31 H ASN 31 6.564 -6.091 -7.110
273 HA ASN 31 HA ASN 31 5.852 -3.475 -5.910
274 HB2 ASN 31 HB2 ASN 31 6.552 -4.182 -8.776
275 HB3 ASN 31 HB3 ASN 31 6.407 -2.558 -8.109
276 HD21 ASN 31 HD21 ASN 31 7.717 -3.025 -5.582
277 HD22 ASN 31 HD22 ASN 31 9.357 -3.331 -5.895
278 H LEU 32 H LEU 32 3.750 -2.839 -5.883
279 HA LEU 32 HA LEU 32 1.872 -4.139 -7.820
280 HB2 LEU 32 HB2 LEU 32 0.213 -3.247 -5.921
281 HB3 LEU 32 HB3 LEU 32 0.959 -4.841 -5.843
282 HG LEU 32 HG LEU 32 2.230 -2.376 -4.630
283 HD11 LEU 32 HD11 LEU 32 0.264 -4.349 -3.452
284 HD12 LEU 32 HD12 LEU 32 0.170 -2.587 -3.455
285 HD13 LEU 32 HD13 LEU 32 1.364 -3.403 -2.446
286 HD21 LEU 32 HD21 LEU 32 2.808 -4.851 -3.306
287 HD22 LEU 32 HD22 LEU 32 3.917 -3.792 -4.176
288 HD23 LEU 32 HD23 LEU 32 3.069 -5.077 -5.035
289 H HIS 33 H HIS 33 0.316 -2.825 -8.816
290 HA HIS 33 HA HIS 33 0.190 0.039 -8.193
291 HB2 HIS 33 HB2 HIS 33 2.155 0.015 -9.619
292 HB3 HIS 33 HB3 HIS 33 1.324 -0.988 -10.806
293 HD1 HIS 33 HD1 HIS 33 0.804 2.412 -9.131
294 HD2 HIS 33 HD2 HIS 33 0.133 0.523 -12.789
295 HE1 HIS 33 HE1 HIS 33 -0.161 4.171 -10.682
296 HE2 HIS 33 HE2 HIS 33 -0.573 3.031 -12.910
297 H GLY 34 H GLY 34 -1.985 0.311 -8.210
298 HA2 GLY 34 HA2 GLY 34 -4.088 0.542 -9.327
299 HA3 GLY 34 HA3 GLY 34 -3.494 -0.507 -10.614
300 H ILE 35 H ILE 35 -2.724 -1.856 -7.636
301 HA ILE 35 HA ILE 35 -4.568 -4.042 -8.012
302 HB ILE 35 HB ILE 35 -3.660 -4.942 -5.958
303 HG12 ILE 35 HG12 ILE 35 -1.852 -3.103 -4.971
304 HG13 ILE 35 HG13 ILE 35 -3.228 -2.086 -5.401
305 HG21 ILE 35 HG21 ILE 35 -1.495 -3.410 -7.422
306 HG22 ILE 35 HG22 ILE 35 -2.201 -4.929 -7.974
307 HG23 ILE 35 HG23 ILE 35 -1.278 -4.880 -6.472
308 HD11 ILE 35 HD11 ILE 35 -4.724 -3.487 -4.075
309 HD12 ILE 35 HD12 ILE 35 -3.377 -2.955 -3.069
310 HD13 ILE 35 HD13 ILE 35 -3.404 -4.597 -3.710
311 H PHE 36 H PHE 36 -5.005 -0.963 -6.750
312 HA PHE 36 HA PHE 36 -6.594 -1.237 -4.484
313 HB2 PHE 36 HB2 PHE 36 -6.667 0.633 -6.823
314 HB3 PHE 36 HB3 PHE 36 -7.994 0.684 -5.663
315 HD1 PHE 36 HD2 PHE 36 -4.226 0.471 -5.644
316 HD2 PHE 36 HD1 PHE 36 -7.775 2.115 -3.855
317 HE1 PHE 36 HE2 PHE 36 -2.832 1.778 -4.065
318 HE2 PHE 36 HE1 PHE 36 -6.379 3.428 -2.286
319 HZ PHE 36 HZ PHE 36 -3.908 3.249 -2.384
320 H GLY 37 H GLY 37 -7.294 -2.263 -7.740
321 HA2 GLY 37 HA2 GLY 37 -10.048 -3.057 -6.865
322 HA3 GLY 37 HA3 GLY 37 -9.620 -2.702 -8.540
323 H ARG 38 H ARG 38 -7.520 -4.542 -6.397
324 HA ARG 38 HA ARG 38 -8.226 -7.021 -7.912
325 HB2 ARG 38 HB2 ARG 38 -5.474 -5.964 -7.242
326 HB3 ARG 38 HB3 ARG 38 -5.772 -7.613 -7.778
327 HG2 ARG 38 HG2 ARG 38 -6.769 -5.265 -9.379
328 HG3 ARG 38 HG3 ARG 38 -5.120 -5.860 -9.566
329 HD2 ARG 38 HD2 ARG 38 -6.097 -8.166 -9.962
330 HD3 ARG 38 HD3 ARG 38 -7.688 -7.407 -10.031
331 HE ARG 38 HE ARG 38 -5.734 -6.193 -11.837
332 HH11 ARG 38 HH21 ARG 38 -8.100 -8.645 -11.309
333 HH12 ARG 38 HH22 ARG 38 -8.458 -8.848 -12.992
334 HH21 ARG 38 HH11 ARG 38 -6.187 -6.444 -14.037
335 HH22 ARG 38 HH12 ARG 38 -7.375 -7.602 -14.536
336 H HIS 39 H HIS 39 -7.211 -8.986 -6.799
337 HA HIS 39 HA HIS 39 -7.956 -8.866 -3.951
338 HB2 HIS 39 HB2 HIS 39 -7.461 -11.053 -5.940
339 HB3 HIS 39 HB3 HIS 39 -7.386 -11.411 -4.219
340 HD1 HIS 39 HD1 HIS 39 -9.753 -9.497 -6.506
341 HD2 HIS 39 HD2 HIS 39 -9.885 -12.080 -3.246
342 HE1 HIS 39 HE1 HIS 39 -12.198 -9.918 -6.042
343 HE2 HIS 39 HE2 HIS 39 -12.299 -11.487 -4.046
344 H SER 40 H SER 40 -6.518 -9.245 -2.274
345 HA SER 40 HA SER 40 -3.838 -8.446 -2.586
346 HB2 SER 40 HB2 SER 40 -5.283 -10.022 -0.476
347 HB3 SER 40 HB3 SER 40 -3.552 -9.757 -0.355
348 HG SER 40 HG SER 40 -4.585 -8.078 0.676
349 H GLY 41 H GLY 41 -1.972 -9.532 -3.045
350 HA2 GLY 41 HA2 GLY 41 -0.610 -11.525 -3.168
351 HA3 GLY 41 HA3 GLY 41 -2.080 -12.488 -3.263
352 H GLN 42 H GLN 42 -2.626 -9.940 -5.295
353 HA GLN 42 HA GLN 42 -1.755 -11.591 -7.618
354 HB2 GLN 42 HB2 GLN 42 -3.726 -9.291 -7.430
355 HB3 GLN 42 HB3 GLN 42 -3.327 -10.157 -8.916
356 HG2 GLN 42 HG2 GLN 42 -4.084 -12.266 -7.921
357 HG3 GLN 42 HG3 GLN 42 -4.446 -11.437 -6.408
358 HE21 GLN 42 HE21 GLN 42 -6.519 -12.791 -7.803
359 HE22 GLN 42 HE22 GLN 42 -7.603 -11.644 -8.427
360 H ALA 43 H ALA 43 0.099 -11.009 -8.585
361 HA ALA 43 HA ALA 43 0.664 -8.180 -9.132
362 HB1 ALA 43 HB1 ALA 43 1.928 -7.973 -7.245
363 HB2 ALA 43 HB2 ALA 43 3.123 -8.888 -8.166
364 HB3 ALA 43 HB3 ALA 43 2.061 -9.719 -7.030
365 H GLU 44 H GLU 44 1.080 -8.340 -11.280
366 HA GLU 44 HA GLU 44 2.037 -10.722 -12.562
367 HB2 GLU 44 HB2 GLU 44 1.975 -7.849 -13.532
368 HB3 GLU 44 HB3 GLU 44 2.320 -9.245 -14.552
369 HG2 GLU 44 HG2 GLU 44 0.028 -8.980 -14.892
370 HG3 GLU 44 HG3 GLU 44 0.059 -10.167 -13.590
371 H GLY 45 H GLY 45 3.617 -7.764 -11.414
372 HA2 GLY 45 HA2 GLY 45 6.177 -8.197 -12.562
373 HA3 GLY 45 HA3 GLY 45 5.895 -7.321 -11.052
374 H TYR 46 H TYR 46 4.740 -9.396 -9.541
375 HA TYR 46 HA TYR 46 6.342 -11.783 -9.627
376 HB2 TYR 46 HB2 TYR 46 8.183 -10.611 -8.776
377 HB3 TYR 46 HB3 TYR 46 7.170 -9.548 -7.798
378 HD1 TYR 46 HD2 TYR 46 7.305 -13.284 -8.147
379 HD2 TYR 46 HD1 TYR 46 7.669 -9.891 -5.544
380 HE1 TYR 46 HE2 TYR 46 7.561 -14.800 -6.200
381 HE2 TYR 46 HE1 TYR 46 7.911 -11.396 -3.601
382 HH TYR 46 HH TYR 46 8.334 -14.840 -3.990
383 H SER 47 H SER 47 5.306 -13.361 -8.506
384 HA SER 47 HA SER 47 2.769 -12.803 -7.289
385 HB2 SER 47 HB2 SER 47 4.492 -15.280 -6.978
386 HB3 SER 47 HB3 SER 47 2.761 -15.167 -6.673
387 HG SER 47 HG SER 47 3.625 -14.294 -9.154
388 H TYR 48 H TYR 48 2.227 -12.561 -5.136
389 HA TYR 48 HA TYR 48 4.193 -11.559 -3.323
390 HB2 TYR 48 HB2 TYR 48 1.368 -12.532 -2.940
391 HB3 TYR 48 HB3 TYR 48 2.324 -11.868 -1.620
392 HD1 TYR 48 HD1 TYR 48 0.984 -11.097 -5.017
393 HD2 TYR 48 HD2 TYR 48 2.624 -9.543 -1.371
394 HE1 TYR 48 HE1 TYR 48 0.418 -8.793 -5.743
395 HE2 TYR 48 HE2 TYR 48 2.065 -7.240 -2.096
396 HH TYR 48 HH TYR 48 1.314 -5.974 -3.764
397 H THR 49 H THR 49 3.883 -12.678 -0.899
398 HA THR 49 HA THR 49 5.468 -15.107 -1.078
399 HB THR 49 HB THR 49 4.137 -13.886 1.358
400 HG1 THR 49 HG1 THR 49 5.435 -12.331 0.592
401 HG21 THR 49 HG21 THR 49 6.177 -14.996 2.448
402 HG22 THR 49 HG22 THR 49 6.364 -15.880 0.934
403 HG23 THR 49 HG23 THR 49 4.896 -16.072 1.892
404 H ASP 50 H ASP 50 4.815 -17.224 -0.491
405 HA ASP 50 HA ASP 50 2.288 -18.113 -1.265
406 HB2 ASP 50 HB2 ASP 50 4.206 -19.288 0.763
407 HB3 ASP 50 HB3 ASP 50 2.793 -20.140 0.148
408 H ALA 51 H ALA 51 3.332 -17.027 1.962
409 HA ALA 51 HA ALA 51 0.932 -17.779 3.336
410 HB1 ALA 51 HB1 ALA 51 2.034 -15.341 4.408
411 HB2 ALA 51 HB2 ALA 51 3.345 -16.441 3.977
412 HB3 ALA 51 HB3 ALA 51 2.084 -16.966 5.093
413 H ASN 52 H ASN 52 1.935 -14.597 2.062
414 HA ASN 52 HA ASN 52 -0.531 -13.269 2.502
415 HB2 ASN 52 HB2 ASN 52 1.565 -12.107 1.886
416 HB3 ASN 52 HB3 ASN 52 1.486 -12.826 0.278
417 HD21 ASN 52 HD21 ASN 52 1.455 -10.323 -0.224
418 HD22 ASN 52 HD22 ASN 52 -0.087 -9.621 -0.336
419 H ILE 53 H ILE 53 0.635 -15.126 -0.295
420 HA ILE 53 HA ILE 53 -1.666 -14.674 -1.942
421 HB ILE 53 HB ILE 53 0.283 -16.983 -1.927
422 HG12 ILE 53 HG12 ILE 53 0.177 -14.491 -3.652
423 HG13 ILE 53 HG13 ILE 53 1.246 -14.691 -2.267
424 HG21 ILE 53 HG21 ILE 53 -0.486 -17.273 -4.286
425 HG22 ILE 53 HG22 ILE 53 -1.728 -16.056 -3.997
426 HG23 ILE 53 HG23 ILE 53 -1.765 -17.582 -3.111
427 HD11 ILE 53 HD11 ILE 53 1.195 -16.536 -4.669
428 HD12 ILE 53 HD12 ILE 53 2.323 -16.611 -3.316
429 HD13 ILE 53 HD13 ILE 53 2.368 -15.243 -4.427
430 H LYS 54 H LYS 54 -0.943 -17.068 0.557
431 HA LYS 54 HA LYS 54 -3.030 -18.900 0.054
432 HB2 LYS 54 HB2 LYS 54 -1.296 -19.231 1.795
433 HB3 LYS 54 HB3 LYS 54 -2.038 -17.949 2.749
434 HG2 LYS 54 HG2 LYS 54 -4.115 -19.216 2.914
435 HG3 LYS 54 HG3 LYS 54 -3.453 -20.478 1.876
436 HD2 LYS 54 HD2 LYS 54 -3.242 -21.206 4.181
437 HD3 LYS 54 HD3 LYS 54 -1.631 -20.831 3.568
438 HE2 LYS 54 HE2 LYS 54 -3.202 -18.669 4.930
439 HE3 LYS 54 HE3 LYS 54 -2.404 -19.896 5.914
440 HZ1 LYS 54 HZ1 LYS 54 -0.461 -18.926 5.564
441 HZ2 LYS 54 HZ2 LYS 54 -1.255 -17.663 4.753
442 HZ3 LYS 54 HZ3 LYS 54 -0.661 -18.995 3.882
443 H LYS 55 H LYS 55 -3.059 -15.830 1.817
444 HA LYS 55 HA LYS 55 -6.044 -15.979 1.911
445 HB2 LYS 55 HB2 LYS 55 -4.721 -15.650 4.078
446 HB3 LYS 55 HB3 LYS 55 -4.262 -14.071 3.445
447 HG2 LYS 55 HG2 LYS 55 -6.660 -13.484 3.202
448 HG3 LYS 55 HG3 LYS 55 -7.097 -15.043 3.902
449 HD2 LYS 55 HD2 LYS 55 -5.771 -14.425 5.945
450 HD3 LYS 55 HD3 LYS 55 -5.543 -12.818 5.253
451 HE2 LYS 55 HE2 LYS 55 -7.528 -12.217 6.124
452 HE3 LYS 55 HE3 LYS 55 -8.306 -13.373 5.044
453 HZ1 LYS 55 HZ1 LYS 55 -8.700 -13.647 7.521
454 HZ2 LYS 55 HZ2 LYS 55 -7.100 -14.212 7.609
455 HZ3 LYS 55 HZ3 LYS 55 -8.244 -15.034 6.659
456 H ASN 56 H ASN 56 -7.058 -14.704 0.413
457 HA ASN 56 HA ASN 56 -5.640 -12.240 -0.497
458 HB2 ASN 56 HB2 ASN 56 -6.235 -12.664 -2.770
459 HB3 ASN 56 HB3 ASN 56 -5.508 -14.142 -2.156
460 HD21 ASN 56 HD21 ASN 56 -7.304 -14.226 -4.375
461 HD22 ASN 56 HD22 ASN 56 -8.728 -15.012 -3.890
462 H VAL 57 H VAL 57 -6.960 -10.447 -0.839
463 HA VAL 57 HA VAL 57 -9.885 -10.805 -0.493
464 HB VAL 57 HB VAL 57 -8.227 -8.809 1.056
465 HG11 VAL 57 HG11 VAL 57 -11.021 -8.986 0.444
466 HG12 VAL 57 HG12 VAL 57 -10.190 -7.790 1.440
467 HG13 VAL 57 HG13 VAL 57 -10.802 -9.274 2.170
468 HG21 VAL 57 HG21 VAL 57 -7.749 -10.960 1.982
469 HG22 VAL 57 HG22 VAL 57 -9.430 -11.475 1.828
470 HG23 VAL 57 HG23 VAL 57 -8.986 -10.256 3.023
471 H LEU 58 H LEU 58 -11.108 -9.332 -1.667
472 HA LEU 58 HA LEU 58 -9.951 -7.912 -3.826
473 HB2 LEU 58 HB2 LEU 58 -12.353 -8.448 -3.718
474 HB3 LEU 58 HB3 LEU 58 -12.545 -7.313 -2.382
475 HG LEU 58 HG LEU 58 -11.718 -5.479 -3.869
476 HD11 LEU 58 HD11 LEU 58 -11.386 -7.804 -5.686
477 HD12 LEU 58 HD12 LEU 58 -10.471 -6.300 -5.604
478 HD13 LEU 58 HD13 LEU 58 -12.034 -6.339 -6.419
479 HD21 LEU 58 HD21 LEU 58 -14.160 -7.107 -4.514
480 HD22 LEU 58 HD22 LEU 58 -13.777 -5.699 -5.506
481 HD23 LEU 58 HD23 LEU 58 -14.051 -5.510 -3.774
482 H TRP 59 H TRP 59 -9.304 -5.744 -4.042
483 HA TRP 59 HA TRP 59 -8.779 -4.395 -1.459
484 HB2 TRP 59 HB2 TRP 59 -7.477 -4.341 -4.152
485 HB3 TRP 59 HB3 TRP 59 -7.286 -2.956 -3.077
486 HD1 TRP 59 HD1 TRP 59 -5.588 -6.008 -3.883
487 HE1 TRP 59 HE1 TRP 59 -4.114 -6.833 -1.931
488 HE3 TRP 59 HE3 TRP 59 -7.519 -3.214 -0.061
489 HZ2 TRP 59 HZ2 TRP 59 -3.807 -6.375 0.878
490 HZ3 TRP 59 HZ3 TRP 59 -6.631 -3.448 2.236
491 HH2 TRP 59 HH2 TRP 59 -4.781 -5.029 2.707
492 H ASP 60 H ASP 60 -9.351 -2.256 -1.102
493 HA ASP 60 HA ASP 60 -10.878 -0.801 -3.173
494 HB2 ASP 60 HB2 ASP 60 -12.517 -2.209 -1.843
495 HB3 ASP 60 HB3 ASP 60 -12.038 -1.294 -0.414
496 H GLU 61 H GLU 61 -11.077 1.509 -2.571
497 HA GLU 61 HA GLU 61 -8.741 2.582 -1.411
498 HB2 GLU 61 HB2 GLU 61 -11.501 3.829 -1.601
499 HB3 GLU 61 HB3 GLU 61 -10.013 4.716 -1.267
500 HG2 GLU 61 HG2 GLU 61 -9.082 3.939 -3.429
501 HG3 GLU 61 HG3 GLU 61 -10.600 3.108 -3.771
502 H ASN 62 H ASN 62 -11.868 1.822 0.072
503 HA ASN 62 HA ASN 62 -11.150 2.915 2.663
504 HB2 ASN 62 HB2 ASN 62 -13.513 2.501 1.770
505 HB3 ASN 62 HB3 ASN 62 -13.244 0.797 2.138
506 HD21 ASN 62 HD21 ASN 62 -15.100 1.211 3.744
507 HD22 ASN 62 HD22 ASN 62 -14.693 1.835 5.275
508 H ASN 63 H ASN 63 -11.193 -0.381 1.279
509 HA ASN 63 HA ASN 63 -10.389 -1.715 3.670
510 HB2 ASN 63 HB2 ASN 63 -9.985 -2.457 0.762
511 HB3 ASN 63 HB3 ASN 63 -9.693 -3.544 2.116
512 HD21 ASN 63 HD21 ASN 63 -11.657 -4.239 0.213
513 HD22 ASN 63 HD22 ASN 63 -13.199 -4.105 0.924
514 H MET 64 H MET 64 -8.485 -0.311 1.013
515 HA MET 64 HA MET 64 -5.959 -1.283 1.892
516 HB2 MET 64 HB2 MET 64 -6.712 1.175 0.301
517 HB3 MET 64 HB3 MET 64 -5.047 0.678 0.577
518 HG2 MET 64 HG2 MET 64 -5.754 -1.613 -0.354
519 HG3 MET 64 HG3 MET 64 -7.205 -0.796 -0.928
520 HE1 MET 64 HE1 MET 64 -3.582 -1.257 -0.863
521 HE2 MET 64 HE2 MET 64 -3.273 0.478 -0.826
522 HE3 MET 64 HE3 MET 64 -2.895 -0.446 -2.278
523 H SER 65 H SER 65 -7.808 1.593 2.845
524 HA SER 65 HA SER 65 -5.790 2.987 4.231
525 HB2 SER 65 HB2 SER 65 -8.169 3.758 3.896
526 HB3 SER 65 HB3 SER 65 -8.651 2.654 5.180
527 HG SER 65 HG SER 65 -6.841 4.838 5.342
528 H GLU 66 H GLU 66 -7.852 0.309 5.386
529 HA GLU 66 HA GLU 66 -6.804 0.227 8.042
530 HB2 GLU 66 HB2 GLU 66 -7.880 -2.025 6.312
531 HB3 GLU 66 HB3 GLU 66 -7.627 -2.120 8.055
532 HG2 GLU 66 HG2 GLU 66 -9.449 -0.130 6.675
533 HG3 GLU 66 HG3 GLU 66 -9.986 -1.605 7.480
534 H TYR 67 H TYR 67 -5.723 -1.225 5.002
535 HA TYR 67 HA TYR 67 -3.694 -2.891 6.141
536 HB2 TYR 67 HB2 TYR 67 -4.578 -3.064 3.794
537 HB3 TYR 67 HB3 TYR 67 -3.644 -1.620 3.397
538 HD1 TYR 67 HD2 TYR 67 -3.423 -5.139 4.521
539 HD2 TYR 67 HD1 TYR 67 -1.241 -1.683 3.198
540 HE1 TYR 67 HE2 TYR 67 -1.387 -6.524 4.279
541 HE2 TYR 67 HE1 TYR 67 0.802 -3.077 2.960
542 HH TYR 67 HH TYR 67 0.711 -6.520 3.121
543 H LEU 68 H LEU 68 -3.560 0.452 4.870
544 HA LEU 68 HA LEU 68 -0.788 0.830 5.045
545 HB2 LEU 68 HB2 LEU 68 -2.939 2.843 5.758
546 HB3 LEU 68 HB3 LEU 68 -1.276 3.218 5.316
547 HG LEU 68 HG LEU 68 -3.324 1.855 3.548
548 HD11 LEU 68 HD11 LEU 68 -3.875 4.102 3.425
549 HD12 LEU 68 HD12 LEU 68 -2.642 4.005 2.169
550 HD13 LEU 68 HD13 LEU 68 -2.228 4.631 3.764
551 HD21 LEU 68 HD21 LEU 68 -1.346 2.405 1.865
552 HD22 LEU 68 HD22 LEU 68 -1.340 0.910 2.801
553 HD23 LEU 68 HD23 LEU 68 -0.371 2.285 3.328
554 H THR 69 H THR 69 -3.208 0.929 7.636
555 HA THR 69 HA THR 69 -1.465 1.928 9.668
556 HB THR 69 HB THR 69 -3.445 -0.076 10.550
557 HG1 THR 69 HG1 THR 69 -5.112 0.726 9.543
558 HG21 THR 69 HG21 THR 69 -2.339 1.662 11.978
559 HG22 THR 69 HG22 THR 69 -4.101 1.739 12.015
560 HG23 THR 69 HG23 THR 69 -3.188 2.899 11.049
561 H ASN 70 H ASN 70 -2.616 -1.445 9.682
562 HA ASN 70 HA ASN 70 -0.266 -2.384 11.053
563 HB2 ASN 70 HB2 ASN 70 -2.488 -3.807 9.581
564 HB3 ASN 70 HB3 ASN 70 -1.171 -4.670 10.377
565 HD21 ASN 70 HD21 ASN 70 -0.799 -3.796 12.777
566 HD22 ASN 70 HD22 ASN 70 -2.220 -3.573 13.690
567 H HIS 71 H HIS 71 -1.213 -2.338 7.646
568 HA HIS 71 HA HIS 71 0.011 -2.826 5.714
569 HB2 HIS 71 HB2 HIS 71 1.455 -1.026 6.418
570 HB3 HIS 71 HB3 HIS 71 2.245 -2.051 7.611
571 HD1 HIS 71 HD1 HIS 71 4.021 -3.719 6.781
572 HD2 HIS 71 HD2 HIS 71 2.285 -1.509 3.695
573 HE1 HIS 71 HE1 HIS 71 5.392 -4.189 4.699
574 H ALA 72 H ALA 72 -0.636 -5.062 7.580
575 HA ALA 72 HA ALA 72 0.689 -7.158 6.294
576 HB1 ALA 72 HB1 ALA 72 2.294 -5.854 8.388
577 HB2 ALA 72 HB2 ALA 72 2.805 -6.861 7.035
578 HB3 ALA 72 HB3 ALA 72 2.210 -7.610 8.519
579 H LYS 73 H LYS 73 -0.483 -6.099 9.493
580 HA LYS 73 HA LYS 73 -1.072 -8.645 10.571
581 HB2 LYS 73 HB2 LYS 73 -1.313 -6.453 11.788
582 HB3 LYS 73 HB3 LYS 73 -2.798 -6.169 10.879
583 HG2 LYS 73 HG2 LYS 73 -3.729 -8.289 11.772
584 HG3 LYS 73 HG3 LYS 73 -2.262 -8.512 12.726
585 HD2 LYS 73 HD2 LYS 73 -2.707 -6.292 13.816
586 HD3 LYS 73 HD3 LYS 73 -4.251 -6.239 12.964
587 HE2 LYS 73 HE2 LYS 73 -4.077 -8.797 14.181
588 HE3 LYS 73 HE3 LYS 73 -3.600 -7.617 15.401
589 HZ1 LYS 73 HZ1 LYS 73 -6.163 -7.988 14.077
590 HZ2 LYS 73 HZ2 LYS 73 -5.689 -6.381 14.353
591 HZ3 LYS 73 HZ3 LYS 73 -5.821 -7.465 15.654
592 H TYR 74 H TYR 74 -2.781 -6.722 8.178
593 HA TYR 74 HA TYR 74 -5.250 -8.104 8.106
594 HB2 TYR 74 HB2 TYR 74 -4.623 -6.005 6.826
595 HB3 TYR 74 HB3 TYR 74 -3.751 -7.042 5.699
596 HD1 TYR 74 HD2 TYR 74 -7.067 -6.061 6.968
597 HD2 TYR 74 HD1 TYR 74 -4.934 -8.571 4.209
598 HE1 TYR 74 HE2 TYR 74 -9.182 -6.536 5.764
599 HE2 TYR 74 HE1 TYR 74 -7.048 -9.042 3.004
600 HH TYR 74 HH TYR 74 -10.147 -8.047 4.271
601 H ILE 75 H ILE 75 -2.128 -8.870 6.589
602 HA ILE 75 HA ILE 75 -3.245 -11.552 5.855
603 HB ILE 75 HB ILE 75 -0.997 -11.183 4.268
604 HG12 ILE 75 HG12 ILE 75 -2.645 -8.636 4.235
605 HG13 ILE 75 HG13 ILE 75 -1.040 -8.765 4.958
606 HG21 ILE 75 HG21 ILE 75 -2.906 -12.243 3.385
607 HG22 ILE 75 HG22 ILE 75 -2.802 -10.740 2.471
608 HG23 ILE 75 HG23 ILE 75 -3.959 -10.888 3.792
609 HD11 ILE 75 HD11 ILE 75 -1.831 -8.926 2.065
610 HD12 ILE 75 HD12 ILE 75 -0.374 -9.756 2.615
611 HD13 ILE 75 HD13 ILE 75 -0.519 -8.010 2.808
612 HA PRO 76 HA PRO 76 -0.014 -12.215 9.121
613 HB2 PRO 76 HB2 PRO 76 -1.386 -14.860 9.053
614 HB3 PRO 76 HB3 PRO 76 -0.944 -13.854 10.444
615 HG2 PRO 76 HG2 PRO 76 -3.470 -14.064 9.593
616 HG3 PRO 76 HG3 PRO 76 -2.827 -12.565 10.285
617 HD2 PRO 76 HD2 PRO 76 -3.450 -13.207 7.440
618 HD3 PRO 76 HD3 PRO 76 -3.491 -11.642 8.281
619 H GLY 77 H GLY 77 1.957 -13.319 8.872
620 HA2 GLY 77 HA2 GLY 77 3.356 -15.083 7.964
621 HA3 GLY 77 HA3 GLY 77 2.161 -15.329 6.689
622 H THR 78 H THR 78 2.288 -12.111 6.834
623 HA THR 78 HA THR 78 3.648 -11.700 4.399
624 HB THR 78 HB THR 78 2.197 -9.978 5.283
625 HG1 THR 78 HG1 THR 78 3.487 -8.288 4.877
626 HG21 THR 78 HG21 THR 78 2.136 -9.628 7.498
627 HG22 THR 78 HG22 THR 78 3.736 -8.888 7.413
628 HG23 THR 78 HG23 THR 78 3.579 -10.616 7.713
629 H LYS 79 H LYS 79 5.806 -11.265 3.885
630 HA LYS 79 HA LYS 79 7.857 -12.272 5.583
631 HB2 LYS 79 HB2 LYS 79 8.059 -10.327 3.264
632 HB3 LYS 79 HB3 LYS 79 9.421 -11.180 3.987
633 HG2 LYS 79 HG2 LYS 79 8.292 -13.347 3.445
634 HG3 LYS 79 HG3 LYS 79 7.035 -12.437 2.607
635 HD2 LYS 79 HD2 LYS 79 8.808 -11.425 1.154
636 HD3 LYS 79 HD3 LYS 79 9.988 -12.484 1.924
637 HE2 LYS 79 HE2 LYS 79 7.914 -14.201 1.194
638 HE3 LYS 79 HE3 LYS 79 8.053 -13.092 -0.170
639 HZ1 LYS 79 HZ1 LYS 79 10.476 -14.265 1.018
640 HZ2 LYS 79 HZ2 LYS 79 10.219 -13.700 -0.563
641 HZ3 LYS 79 HZ3 LYS 79 9.548 -15.180 -0.067
642 H MET 80 H MET 80 6.901 -8.893 4.902
643 HA MET 80 HA MET 80 8.095 -8.125 7.513
644 HB2 MET 80 HB2 MET 80 8.664 -6.674 4.909
645 HB3 MET 80 HB3 MET 80 9.234 -6.195 6.508
646 HG2 MET 80 HG2 MET 80 9.927 -8.776 5.072
647 HG3 MET 80 HG3 MET 80 11.004 -7.400 5.306
648 HE1 MET 80 HE1 MET 80 10.193 -6.615 8.594
649 HE2 MET 80 HE2 MET 80 11.423 -6.336 7.365
650 HE3 MET 80 HE3 MET 80 11.850 -7.173 8.854
651 H ALA 81 H ALA 81 7.385 -5.841 8.114
652 HA ALA 81 HA ALA 81 4.698 -5.279 6.941
653 HB1 ALA 81 HB1 ALA 81 3.994 -4.537 9.171
654 HB2 ALA 81 HB2 ALA 81 5.603 -4.880 9.809
655 HB3 ALA 81 HB3 ALA 81 4.578 -6.200 9.244
656 H PHE 82 H PHE 82 5.233 -3.029 9.219
657 HA PHE 82 HA PHE 82 7.109 -1.265 7.860
658 HB2 PHE 82 HB2 PHE 82 5.244 -1.022 6.311
659 HB3 PHE 82 HB3 PHE 82 4.130 -0.722 7.644
660 HD1 PHE 82 HD1 PHE 82 6.984 0.650 5.721
661 HD2 PHE 82 HD2 PHE 82 4.053 1.405 8.766
662 HE1 PHE 82 HE1 PHE 82 7.534 3.069 5.655
663 HE2 PHE 82 HE2 PHE 82 4.606 3.812 8.704
664 HZ PHE 82 HZ PHE 82 6.339 4.652 7.148
665 H GLY 83 H GLY 83 4.070 -0.550 9.590
666 HA2 GLY 83 HA2 GLY 83 3.706 0.497 11.656
667 HA3 GLY 83 HA3 GLY 83 5.222 -0.237 12.181
668 H GLY 84 H GLY 84 3.709 2.702 11.325
669 HA2 GLY 84 HA2 GLY 84 5.820 4.343 12.175
670 HA3 GLY 84 HA3 GLY 84 6.028 4.166 10.435
671 H LEU 85 H LEU 85 3.109 4.002 9.896
672 HA LEU 85 HA LEU 85 2.601 6.842 9.698
673 HB2 LEU 85 HB2 LEU 85 0.575 4.624 9.359
674 HB3 LEU 85 HB3 LEU 85 0.568 6.219 8.615
675 HG LEU 85 HG LEU 85 2.443 3.922 8.041
676 HD11 LEU 85 HD11 LEU 85 0.300 3.911 6.860
677 HD12 LEU 85 HD12 LEU 85 1.608 4.286 5.738
678 HD13 LEU 85 HD13 LEU 85 0.563 5.576 6.337
679 HD21 LEU 85 HD21 LEU 85 3.867 5.856 8.097
680 HD22 LEU 85 HD22 LEU 85 2.655 6.849 7.295
681 HD23 LEU 85 HD23 LEU 85 3.484 5.578 6.399
682 H LYS 86 H LYS 86 3.015 6.529 12.353
683 HA LYS 86 HA LYS 86 0.815 5.828 13.983
684 HB2 LYS 86 HB2 LYS 86 2.920 7.973 14.387
685 HB3 LYS 86 HB3 LYS 86 1.831 7.393 15.644
686 HG2 LYS 86 HG2 LYS 86 2.707 5.082 15.284
687 HG3 LYS 86 HG3 LYS 86 3.869 5.739 14.131
688 HD2 LYS 86 HD2 LYS 86 4.753 7.229 15.930
689 HD3 LYS 86 HD3 LYS 86 3.657 6.449 17.071
690 HE2 LYS 86 HE2 LYS 86 5.715 4.951 15.429
691 HE3 LYS 86 HE3 LYS 86 5.992 5.499 17.082
692 HZ1 LYS 86 HZ1 LYS 86 5.113 3.537 17.637
693 HZ2 LYS 86 HZ2 LYS 86 4.402 3.297 16.114
694 HZ3 LYS 86 HZ3 LYS 86 3.617 4.253 17.279
695 H LYS 87 H LYS 87 1.477 8.766 12.149
696 HA LYS 87 HA LYS 87 -0.872 10.126 13.305
697 HB2 LYS 87 HB2 LYS 87 1.063 10.946 11.116
698 HB3 LYS 87 HB3 LYS 87 -0.233 11.966 11.745
699 HG2 LYS 87 HG2 LYS 87 0.766 11.759 14.025
700 HG3 LYS 87 HG3 LYS 87 2.107 10.856 13.321
701 HD2 LYS 87 HD2 LYS 87 2.583 12.804 11.830
702 HD3 LYS 87 HD3 LYS 87 1.318 13.708 12.663
703 HE2 LYS 87 HE2 LYS 87 3.495 12.414 14.273
704 HE3 LYS 87 HE3 LYS 87 3.820 13.940 13.451
705 HZ1 LYS 87 HZ1 LYS 87 3.025 14.484 15.584
706 HZ2 LYS 87 HZ2 LYS 87 1.741 13.375 15.486
707 HZ3 LYS 87 HZ3 LYS 87 1.731 14.779 14.528
708 H GLU 88 H GLU 88 -2.858 10.175 12.339
709 HA GLU 88 HA GLU 88 -3.483 8.384 10.196
710 HB2 GLU 88 HB2 GLU 88 -5.045 10.710 11.331
711 HB3 GLU 88 HB3 GLU 88 -5.706 9.516 10.217
712 HG2 GLU 88 HG2 GLU 88 -5.142 7.723 11.843
713 HG3 GLU 88 HG3 GLU 88 -4.565 8.952 12.969
714 H LYS 89 H LYS 89 -2.579 11.769 10.272
715 HA LYS 89 HA LYS 89 -3.519 12.615 7.756
716 HB2 LYS 89 HB2 LYS 89 -0.963 13.331 9.215
717 HB3 LYS 89 HB3 LYS 89 -1.589 14.205 7.821
718 HG2 LYS 89 HG2 LYS 89 -3.708 14.618 9.076
719 HG3 LYS 89 HG3 LYS 89 -2.984 13.843 10.486
720 HD2 LYS 89 HD2 LYS 89 -1.135 15.523 10.407
721 HD3 LYS 89 HD3 LYS 89 -1.976 16.337 9.088
722 HE2 LYS 89 HE2 LYS 89 -4.007 16.216 10.831
723 HE3 LYS 89 HE3 LYS 89 -2.672 16.205 11.984
724 HZ1 LYS 89 HZ1 LYS 89 -3.073 18.443 11.666
725 HZ2 LYS 89 HZ2 LYS 89 -3.396 18.268 10.008
726 HZ3 LYS 89 HZ3 LYS 89 -1.801 18.154 10.581
727 H ASP 90 H ASP 90 -0.514 10.881 8.559
728 HA ASP 90 HA ASP 90 0.624 10.927 5.955
729 HB2 ASP 90 HB2 ASP 90 0.825 8.827 8.135
730 HB3 ASP 90 HB3 ASP 90 1.852 8.893 6.706
731 H ARG 91 H ARG 91 -1.588 8.600 7.485
732 HA ARG 91 HA ARG 91 -1.716 6.755 5.320
733 HB2 ARG 91 HB2 ARG 91 -3.815 7.504 7.378
734 HB3 ARG 91 HB3 ARG 91 -3.911 6.096 6.320
735 HG2 ARG 91 HG2 ARG 91 -1.858 5.187 7.274
736 HG3 ARG 91 HG3 ARG 91 -1.648 6.632 8.264
737 HD2 ARG 91 HD2 ARG 91 -2.635 4.847 9.615
738 HD3 ARG 91 HD3 ARG 91 -3.808 6.146 9.394
739 HE ARG 91 HE ARG 91 -4.048 4.053 7.379
740 HH11 ARG 91 HH21 ARG 91 -4.825 5.102 10.569
741 HH12 ARG 91 HH22 ARG 91 -6.279 4.167 10.668
742 HH21 ARG 91 HH11 ARG 91 -5.947 2.828 7.487
743 HH22 ARG 91 HH12 ARG 91 -6.914 2.879 8.924
744 H ASN 92 H ASN 92 -3.656 9.655 6.025
745 HA ASN 92 HA ASN 92 -5.447 9.358 3.812
746 HB2 ASN 92 HB2 ASN 92 -4.552 11.812 5.344
747 HB3 ASN 92 HB3 ASN 92 -5.866 11.803 4.174
748 HD21 ASN 92 HD21 ASN 92 -6.443 12.466 6.850
749 HD22 ASN 92 HD22 ASN 92 -7.340 11.212 7.561
750 H ASP 93 H ASP 93 -2.398 11.154 4.170
751 HA ASP 93 HA ASP 93 -2.431 12.338 1.572
752 HB2 ASP 93 HB2 ASP 93 -0.103 11.584 3.361
753 HB3 ASP 93 HB3 ASP 93 0.037 12.584 1.914
754 H LEU 94 H LEU 94 -1.089 9.261 2.733
755 HA LEU 94 HA LEU 94 0.231 8.455 0.366
756 HB2 LEU 94 HB2 LEU 94 -0.807 7.155 2.774
757 HB3 LEU 94 HB3 LEU 94 -0.862 6.111 1.355
758 HG LEU 94 HG LEU 94 1.609 7.694 2.019
759 HD11 LEU 94 HD11 LEU 94 1.090 6.386 4.016
760 HD12 LEU 94 HD12 LEU 94 2.432 5.625 3.160
761 HD13 LEU 94 HD13 LEU 94 0.806 4.951 3.032
762 HD21 LEU 94 HD21 LEU 94 2.602 6.399 0.404
763 HD22 LEU 94 HD22 LEU 94 0.943 6.279 -0.185
764 HD23 LEU 94 HD23 LEU 94 1.625 4.984 0.797
765 H ILE 95 H ILE 95 -3.012 7.429 1.410
766 HA ILE 95 HA ILE 95 -3.753 6.180 -0.975
767 HB ILE 95 HB ILE 95 -5.541 7.678 0.948
768 HG12 ILE 95 HG12 ILE 95 -4.377 4.873 0.952
769 HG13 ILE 95 HG13 ILE 95 -4.109 6.137 2.149
770 HG21 ILE 95 HG21 ILE 95 -6.102 5.285 -0.819
771 HG22 ILE 95 HG22 ILE 95 -6.542 6.938 -1.242
772 HG23 ILE 95 HG23 ILE 95 -7.263 6.168 0.170
773 HD11 ILE 95 HD11 ILE 95 -5.842 5.261 3.299
774 HD12 ILE 95 HD12 ILE 95 -6.330 4.257 1.934
775 HD13 ILE 95 HD13 ILE 95 -6.884 5.928 2.043
776 H THR 96 H THR 96 -3.878 9.603 -0.113
777 HA THR 96 HA THR 96 -5.473 10.523 -2.259
778 HB THR 96 HB THR 96 -3.049 11.914 -1.083
779 HG1 THR 96 HG1 THR 96 -4.877 11.033 0.324
780 HG21 THR 96 HG21 THR 96 -5.564 12.878 -2.452
781 HG22 THR 96 HG22 THR 96 -3.909 13.038 -3.034
782 HG23 THR 96 HG23 THR 96 -4.434 13.940 -1.613
783 H TYR 97 H TYR 97 -2.012 9.756 -2.076
784 HA TYR 97 HA TYR 97 -1.551 10.526 -4.858
785 HB2 TYR 97 HB2 TYR 97 0.279 10.799 -3.301
786 HB3 TYR 97 HB3 TYR 97 0.174 9.106 -2.817
787 HD1 TYR 97 HD1 TYR 97 1.097 11.411 -5.568
788 HD2 TYR 97 HD2 TYR 97 1.056 7.347 -4.190
789 HE1 TYR 97 HE1 TYR 97 2.625 10.768 -7.414
790 HE2 TYR 97 HE2 TYR 97 2.578 6.700 -6.031
791 HH TYR 97 HH TYR 97 3.100 7.684 -8.415
792 H LEU 98 H LEU 98 -1.603 7.452 -3.040
793 HA LEU 98 HA LEU 98 -1.118 5.690 -5.175
794 HB2 LEU 98 HB2 LEU 98 -3.073 5.286 -2.901
795 HB3 LEU 98 HB3 LEU 98 -2.350 4.009 -3.871
796 HG LEU 98 HG LEU 98 -0.755 5.972 -2.187
797 HD11 LEU 98 HD11 LEU 98 -0.595 4.305 -0.515
798 HD12 LEU 98 HD12 LEU 98 -1.216 3.049 -1.587
799 HD13 LEU 98 HD13 LEU 98 -2.300 4.293 -0.963
800 HD21 LEU 98 HD21 LEU 98 0.908 5.184 -3.496
801 HD22 LEU 98 HD22 LEU 98 -0.110 3.909 -4.167
802 HD23 LEU 98 HD23 LEU 98 0.711 3.665 -2.626
803 H LYS 99 H LYS 99 -4.284 6.853 -4.009
804 HA LYS 99 HA LYS 99 -5.825 5.634 -6.071
805 HB2 LYS 99 HB2 LYS 99 -6.832 6.544 -4.023
806 HB3 LYS 99 HB3 LYS 99 -6.382 8.169 -4.521
807 HG2 LYS 99 HG2 LYS 99 -7.780 7.903 -6.567
808 HG3 LYS 99 HG3 LYS 99 -8.277 6.312 -5.986
809 HD2 LYS 99 HD2 LYS 99 -9.201 7.365 -3.939
810 HD3 LYS 99 HD3 LYS 99 -8.749 8.951 -4.567
811 HE2 LYS 99 HE2 LYS 99 -10.488 9.004 -6.029
812 HE3 LYS 99 HE3 LYS 99 -10.310 7.301 -6.448
813 HZ1 LYS 99 HZ1 LYS 99 -12.310 8.276 -4.974
814 HZ2 LYS 99 HZ2 LYS 99 -11.222 7.823 -3.750
815 HZ3 LYS 99 HZ3 LYS 99 -11.762 6.674 -4.879
816 H LYS 100 H LYS 100 -4.183 8.764 -5.894
817 HA LYS 100 HA LYS 100 -5.203 9.904 -8.294
818 HB2 LYS 100 HB2 LYS 100 -3.751 11.043 -6.550
819 HB3 LYS 100 HB3 LYS 100 -2.375 10.205 -7.256
820 HG2 LYS 100 HG2 LYS 100 -2.898 11.227 -9.456
821 HG3 LYS 100 HG3 LYS 100 -4.226 12.117 -8.709
822 HD2 LYS 100 HD2 LYS 100 -2.576 13.146 -7.128
823 HD3 LYS 100 HD3 LYS 100 -1.282 12.354 -8.030
824 HE2 LYS 100 HE2 LYS 100 -1.812 13.579 -10.028
825 HE3 LYS 100 HE3 LYS 100 -3.303 14.199 -9.322
826 HZ1 LYS 100 HZ1 LYS 100 -0.525 14.966 -8.768
827 HZ2 LYS 100 HZ2 LYS 100 -1.680 15.118 -7.531
828 HZ3 LYS 100 HZ3 LYS 100 -1.888 15.949 -8.998
829 H ALA 101 H ALA 101 -2.434 7.795 -7.699
830 HA ALA 101 HA ALA 101 -1.539 7.702 -10.439
831 HB1 ALA 101 HB1 ALA 101 0.130 6.420 -9.591
832 HB2 ALA 101 HB2 ALA 101 -1.009 5.282 -8.869
833 HB3 ALA 101 HB3 ALA 101 -0.574 6.759 -8.009
834 H THR 102 H THR 102 -3.494 5.486 -8.443
835 HA THR 102 HA THR 102 -4.094 3.641 -10.548
836 HB THR 102 HB THR 102 -5.824 4.369 -8.161
837 HG1 THR 102 HG1 THR 102 -4.495 3.230 -7.003
838 HG21 THR 102 HG21 THR 102 -6.011 1.643 -8.764
839 HG22 THR 102 HG22 THR 102 -6.057 2.452 -10.330
840 HG23 THR 102 HG23 THR 102 -7.232 2.875 -9.084
841 H GLU 103 H GLU 103 -5.432 6.737 -9.583
842 HA GLU 103 HA GLU 103 -7.709 6.500 -11.432
843 HB2 GLU 103 HB2 GLU 103 -7.882 7.754 -9.274
844 HB3 GLU 103 HB3 GLU 103 -6.718 8.922 -9.900
845 HG2 GLU 103 HG2 GLU 103 -8.926 9.815 -10.295
846 HG3 GLU 103 HG3 GLU 103 -8.273 9.301 -11.852
847 HHA HEC 104 HA HEC 104 2.087 -6.097 0.610
848 HHB HEC 104 HB HEC 104 1.318 0.192 0.937
849 HHC HEC 104 HC HEC 104 7.260 0.773 3.025
850 HHD HEC 104 HD HEC 104 8.050 -5.468 2.544
851 HMA1 HEC 104 1HMA HEC 104 -1.455 -2.197 0.148
852 HMA2 HEC 104 2HMA HEC 104 -0.452 -1.369 -1.040
853 HMA3 HEC 104 3HMA HEC 104 -0.655 -0.696 0.575
854 HAA1 HEC 104 1HAA HEC 104 0.063 -5.710 0.205
855 HAA2 HEC 104 2HAA HEC 104 -0.952 -4.687 1.193
856 HBA1 HEC 104 1HBA HEC 104 -0.828 -3.641 -1.492
857 HBA2 HEC 104 2HBA HEC 104 -2.231 -4.209 -0.589
858 HMB1 HEC 104 1HMB HEC 104 1.857 2.410 0.939
859 HMB2 HEC 104 2HMB HEC 104 1.815 2.324 2.701
860 HMB3 HEC 104 3HMB HEC 104 2.908 3.452 1.900
861 HAB HEC 104 HAB HEC 104 6.531 2.735 2.592
862 HBB1 HEC 104 1HBB HEC 104 5.633 3.904 4.279
863 HBB2 HEC 104 2HBB HEC 104 4.040 3.228 3.938
864 HBB3 HEC 104 3HBB HEC 104 4.571 4.692 3.112
865 HMC1 HEC 104 1HMC HEC 104 9.768 0.147 3.177
866 HMC2 HEC 104 2HMC HEC 104 8.869 -0.119 4.674
867 HMC3 HEC 104 3HMC HEC 104 10.259 -1.132 4.287
868 HAC HEC 104 HAC HEC 104 10.007 -4.505 2.568
869 HBC1 HEC 104 1HBC HEC 104 11.453 -3.291 4.692
870 HBC2 HEC 104 2HBC HEC 104 9.775 -3.426 5.217
871 HBC3 HEC 104 3HBC HEC 104 10.652 -4.863 4.693
872 HMD1 HEC 104 1HMD HEC 104 7.103 -7.604 3.158
873 HMD2 HEC 104 2HMD HEC 104 7.562 -7.914 1.484
874 HMD3 HEC 104 3HMD HEC 104 6.173 -8.745 2.185
875 HAD1 HEC 104 1HAD HEC 104 4.749 -8.686 0.226
876 HAD2 HEC 104 2HAD HEC 104 3.205 -7.885 0.045
877 HBD1 HEC 104 1HBD HEC 104 2.376 -8.735 2.020
878 HBD2 HEC 104 2HBD HEC 104 3.965 -8.822 2.770
Start of MODEL 13
1 H1 THR -5 H1 THR -5 -15.587 2.603 5.861
2 H2 THR -5 H2 THR -5 -14.839 1.998 7.262
3 H3 THR -5 H3 THR -5 -13.925 2.842 6.104
4 HA THR -5 HA THR -5 -16.160 4.056 7.629
5 HB THR -5 HB THR -5 -13.261 4.640 8.148
6 HG1 THR -5 HG1 THR -5 -13.489 2.394 8.382
7 HG21 THR -5 HG21 THR -5 -15.783 4.701 9.828
8 HG22 THR -5 HG22 THR -5 -14.980 6.098 9.109
9 HG23 THR -5 HG23 THR -5 -14.181 5.182 10.386
10 H GLU -4 H GLU -4 -15.945 6.472 7.490
11 HA GLU -4 HA GLU -4 -15.744 7.360 4.804
12 HB2 GLU -4 HB2 GLU -4 -15.486 8.966 7.366
13 HB3 GLU -4 HB3 GLU -4 -15.776 9.649 5.765
14 HG2 GLU -4 HG2 GLU -4 -17.863 8.308 5.597
15 HG3 GLU -4 HG3 GLU -4 -17.588 7.710 7.233
16 H PHE -3 H PHE -3 -14.069 8.373 3.658
17 HA PHE -3 HA PHE -3 -11.369 8.020 4.836
18 HB2 PHE -3 HB2 PHE -3 -11.793 6.948 2.654
19 HB3 PHE -3 HB3 PHE -3 -12.192 8.521 1.971
20 HD1 PHE -3 HD2 PHE -3 -9.474 6.463 3.420
21 HD2 PHE -3 HD1 PHE -3 -10.488 10.131 1.429
22 HE1 PHE -3 HE2 PHE -3 -7.069 6.902 3.002
23 HE2 PHE -3 HE1 PHE -3 -8.084 10.569 1.010
24 HZ PHE -3 HZ PHE -3 -6.376 8.956 1.797
25 H LYS -2 H LYS -2 -10.167 9.773 5.394
26 HA LYS -2 HA LYS -2 -11.228 12.458 4.665
27 HB2 LYS -2 HB2 LYS -2 -9.222 11.729 6.818
28 HB3 LYS -2 HB3 LYS -2 -9.991 13.298 6.585
29 HG2 LYS -2 HG2 LYS -2 -11.493 10.737 7.192
30 HG3 LYS -2 HG3 LYS -2 -11.052 11.939 8.404
31 HD2 LYS -2 HD2 LYS -2 -12.285 13.642 6.919
32 HD3 LYS -2 HD3 LYS -2 -12.961 12.243 6.083
33 HE2 LYS -2 HE2 LYS -2 -14.524 12.874 7.806
34 HE3 LYS -2 HE3 LYS -2 -13.740 11.380 8.319
35 HZ1 LYS -2 HZ1 LYS -2 -12.965 12.398 10.106
36 HZ2 LYS -2 HZ2 LYS -2 -13.823 13.798 9.674
37 HZ3 LYS -2 HZ3 LYS -2 -12.215 13.593 9.166
38 H ALA -1 H ALA -1 -9.723 14.069 3.891
39 HA ALA -1 HA ALA -1 -7.089 13.006 2.999
40 HB1 ALA -1 HB1 ALA -1 -9.287 14.168 1.339
41 HB2 ALA -1 HB2 ALA -1 -8.176 12.852 0.962
42 HB3 ALA -1 HB3 ALA -1 -7.619 14.523 0.888
43 H GLY 1 H GLY 1 -5.687 14.902 2.184
44 HA2 GLY 1 HA2 GLY 1 -6.339 17.472 3.497
45 HA3 GLY 1 HA3 GLY 1 -4.866 16.651 4.016
46 H SER 2 H SER 2 -3.513 15.869 1.980
47 HA SER 2 HA SER 2 -3.663 17.733 -0.282
48 HB2 SER 2 HB2 SER 2 -0.965 17.879 0.410
49 HB3 SER 2 HB3 SER 2 -2.153 19.166 0.599
50 HG SER 2 HG SER 2 -2.112 18.847 2.674
51 H ALA 3 H ALA 3 -3.544 16.273 -1.923
52 HA ALA 3 HA ALA 3 -2.372 13.680 -1.708
53 HB1 ALA 3 HB1 ALA 3 -4.026 14.751 -3.492
54 HB2 ALA 3 HB2 ALA 3 -2.978 13.401 -3.927
55 HB3 ALA 3 HB3 ALA 3 -2.524 15.049 -4.366
56 H LYS 4 H LYS 4 -1.023 16.801 -2.397
57 HA LYS 4 HA LYS 4 1.327 16.098 -3.810
58 HB2 LYS 4 HB2 LYS 4 1.017 18.207 -1.651
59 HB3 LYS 4 HB3 LYS 4 2.264 18.172 -2.897
60 HG2 LYS 4 HG2 LYS 4 0.767 18.700 -4.606
61 HG3 LYS 4 HG3 LYS 4 -0.628 18.107 -3.706
62 HD2 LYS 4 HD2 LYS 4 0.925 20.439 -2.630
63 HD3 LYS 4 HD3 LYS 4 -0.230 20.701 -3.938
64 HE2 LYS 4 HE2 LYS 4 -1.977 19.548 -2.556
65 HE3 LYS 4 HE3 LYS 4 -0.820 19.463 -1.230
66 HZ1 LYS 4 HZ1 LYS 4 -1.069 22.085 -2.390
67 HZ2 LYS 4 HZ2 LYS 4 -1.090 21.611 -0.759
68 HZ3 LYS 4 HZ3 LYS 4 -2.507 21.518 -1.691
69 H LYS 5 H LYS 5 0.724 16.213 -0.295
70 HA LYS 5 HA LYS 5 3.354 15.424 0.492
71 HB2 LYS 5 HB2 LYS 5 0.692 15.098 1.882
72 HB3 LYS 5 HB3 LYS 5 2.253 14.822 2.648
73 HG2 LYS 5 HG2 LYS 5 2.899 17.168 2.082
74 HG3 LYS 5 HG3 LYS 5 1.271 17.428 1.454
75 HD2 LYS 5 HD2 LYS 5 0.353 16.804 3.691
76 HD3 LYS 5 HD3 LYS 5 2.004 16.688 4.301
77 HE2 LYS 5 HE2 LYS 5 2.394 19.002 4.025
78 HE3 LYS 5 HE3 LYS 5 1.015 19.193 2.944
79 HZ1 LYS 5 HZ1 LYS 5 -0.324 18.400 4.980
80 HZ2 LYS 5 HZ2 LYS 5 0.219 20.009 4.928
81 HZ3 LYS 5 HZ3 LYS 5 1.045 18.861 5.869
82 H GLY 6 H GLY 6 0.478 13.573 -0.388
83 HA2 GLY 6 HA2 GLY 6 1.243 11.027 0.541
84 HA3 GLY 6 HA3 GLY 6 0.258 11.291 -0.895
85 H ALA 7 H ALA 7 2.094 12.627 -2.525
86 HA ALA 7 HA ALA 7 3.617 10.423 -3.560
87 HB1 ALA 7 HB1 ALA 7 2.950 13.062 -4.388
88 HB2 ALA 7 HB2 ALA 7 3.709 11.790 -5.347
89 HB3 ALA 7 HB3 ALA 7 4.708 12.928 -4.445
90 H THR 8 H THR 8 4.447 13.203 -1.536
91 HA THR 8 HA THR 8 7.263 12.822 -1.520
92 HB THR 8 HB THR 8 5.539 13.943 0.687
93 HG1 THR 8 HG1 THR 8 5.765 14.744 -1.787
94 HG21 THR 8 HG21 THR 8 7.499 14.303 1.707
95 HG22 THR 8 HG22 THR 8 7.991 15.312 0.347
96 HG23 THR 8 HG23 THR 8 8.362 13.588 0.345
97 H LEU 9 H LEU 9 4.707 11.553 0.595
98 HA LEU 9 HA LEU 9 6.493 10.227 2.412
99 HB2 LEU 9 HB2 LEU 9 4.074 10.814 2.842
100 HB3 LEU 9 HB3 LEU 9 3.630 9.480 1.777
101 HG LEU 9 HG LEU 9 5.266 8.109 3.329
102 HD11 LEU 9 HD11 LEU 9 5.684 8.963 5.434
103 HD12 LEU 9 HD12 LEU 9 4.234 9.967 5.426
104 HD13 LEU 9 HD13 LEU 9 5.660 10.472 4.518
105 HD21 LEU 9 HD21 LEU 9 2.428 8.967 3.861
106 HD22 LEU 9 HD22 LEU 9 3.235 7.826 4.936
107 HD23 LEU 9 HD23 LEU 9 3.015 7.428 3.234
108 H PHE 10 H PHE 10 4.563 8.988 -0.327
109 HA PHE 10 HA PHE 10 5.497 6.295 -0.110
110 HB2 PHE 10 HB2 PHE 10 3.488 6.933 -1.411
111 HB3 PHE 10 HB3 PHE 10 4.525 7.752 -2.583
112 HD1 PHE 10 HD2 PHE 10 6.317 6.373 -3.800
113 HD2 PHE 10 HD1 PHE 10 3.110 4.592 -1.554
114 HE1 PHE 10 HE2 PHE 10 6.677 4.227 -4.983
115 HE2 PHE 10 HE1 PHE 10 3.474 2.442 -2.745
116 HZ PHE 10 HZ PHE 10 5.259 2.263 -4.465
117 H LYS 11 H LYS 11 6.610 8.980 -2.184
118 HA LYS 11 HA LYS 11 8.588 7.452 -3.519
119 HB2 LYS 11 HB2 LYS 11 9.412 9.505 -4.375
120 HB3 LYS 11 HB3 LYS 11 7.681 9.744 -4.171
121 HG2 LYS 11 HG2 LYS 11 8.156 10.780 -1.934
122 HG3 LYS 11 HG3 LYS 11 9.876 10.683 -2.304
123 HD2 LYS 11 HD2 LYS 11 9.305 11.949 -4.473
124 HD3 LYS 11 HD3 LYS 11 7.760 12.314 -3.705
125 HE2 LYS 11 HE2 LYS 11 8.802 14.067 -2.735
126 HE3 LYS 11 HE3 LYS 11 9.629 12.884 -1.722
127 HZ1 LYS 11 HZ1 LYS 11 10.637 13.589 -4.408
128 HZ2 LYS 11 HZ2 LYS 11 11.472 12.861 -3.120
129 HZ3 LYS 11 HZ3 LYS 11 11.052 14.505 -3.043
130 H THR 12 H THR 12 8.654 9.037 -0.387
131 HA THR 12 HA THR 12 11.581 8.530 -0.216
132 HB THR 12 HB THR 12 10.624 10.787 0.404
133 HG1 THR 12 HG1 THR 12 11.755 10.594 2.598
134 HG21 THR 12 HG21 THR 12 9.848 9.748 3.058
135 HG22 THR 12 HG22 THR 12 8.737 9.355 1.744
136 HG23 THR 12 HG23 THR 12 9.127 11.038 2.098
137 H ARG 13 H ARG 13 8.933 6.699 0.368
138 HA ARG 13 HA ARG 13 10.334 5.330 2.614
139 HB2 ARG 13 HB2 ARG 13 7.390 6.010 2.538
140 HB3 ARG 13 HB3 ARG 13 8.104 4.859 3.667
141 HG2 ARG 13 HG2 ARG 13 9.690 6.695 4.388
142 HG3 ARG 13 HG3 ARG 13 8.728 7.809 3.420
143 HD2 ARG 13 HD2 ARG 13 6.702 7.046 4.737
144 HD3 ARG 13 HD3 ARG 13 7.812 6.195 5.807
145 HE ARG 13 HE ARG 13 7.417 9.090 5.701
146 HH11 ARG 13 HH21 ARG 13 9.496 6.451 6.475
147 HH12 ARG 13 HH22 ARG 13 10.416 7.344 7.640
148 HH21 ARG 13 HH11 ARG 13 8.607 10.272 7.216
149 HH22 ARG 13 HH12 ARG 13 9.913 9.508 8.060
150 H CYS 14 H CYS 14 7.337 4.819 0.682
151 HA CYS 14 HA CYS 14 7.749 1.966 0.631
152 HB2 CYS 14 HB2 CYS 14 6.163 3.301 -1.512
153 HB3 CYS 14 HB3 CYS 14 5.800 1.838 -0.607
154 H LEU 15 H LEU 15 8.899 4.573 -1.382
155 HA LEU 15 HA LEU 15 9.505 3.176 -3.758
156 HB2 LEU 15 HB2 LEU 15 9.774 5.610 -3.480
157 HB3 LEU 15 HB3 LEU 15 11.160 5.335 -2.434
158 HG LEU 15 HG LEU 15 12.240 4.076 -4.345
159 HD11 LEU 15 HD11 LEU 15 9.702 4.999 -5.667
160 HD12 LEU 15 HD12 LEU 15 10.518 3.441 -5.789
161 HD13 LEU 15 HD13 LEU 15 11.176 4.849 -6.621
162 HD21 LEU 15 HD21 LEU 15 11.584 6.988 -4.338
163 HD22 LEU 15 HD22 LEU 15 12.374 6.339 -5.775
164 HD23 LEU 15 HD23 LEU 15 13.151 6.190 -4.198
165 H GLN 16 H GLN 16 11.250 3.276 -0.684
166 HA GLN 16 HA GLN 16 13.665 2.067 -1.513
167 HB2 GLN 16 HB2 GLN 16 12.180 1.793 1.114
168 HB3 GLN 16 HB3 GLN 16 13.851 1.292 0.854
169 HG2 GLN 16 HG2 GLN 16 14.469 3.592 0.257
170 HG3 GLN 16 HG3 GLN 16 12.794 4.107 0.457
171 HE21 GLN 16 HE21 GLN 16 14.832 5.292 2.042
172 HE22 GLN 16 HE22 GLN 16 14.635 4.796 3.654
173 H CYS 17 H CYS 17 10.553 0.556 -0.662
174 HA CYS 17 HA CYS 17 11.742 -2.076 -1.440
175 HB2 CYS 17 HB2 CYS 17 9.345 -1.463 0.293
176 HB3 CYS 17 HB3 CYS 17 9.875 -3.083 -0.146
177 H HIS 18 H HIS 18 8.783 -0.109 -1.778
178 HA HIS 18 HA HIS 18 7.933 -1.888 -4.005
179 HB2 HIS 18 HB2 HIS 18 6.474 0.433 -2.720
180 HB3 HIS 18 HB3 HIS 18 5.810 -0.654 -3.933
181 HD1 HIS 18 HD1 HIS 18 5.777 -3.301 -3.139
182 HD2 HIS 18 HD2 HIS 18 6.077 -0.409 -0.155
183 HE1 HIS 18 HE1 HIS 18 5.000 -4.403 -0.984
184 H THR 19 H THR 19 7.515 -1.080 -6.076
185 HA THR 19 HA THR 19 8.475 1.687 -6.648
186 HB THR 19 HB THR 19 8.741 -0.696 -8.486
187 HG1 THR 19 HG1 THR 19 10.111 -0.949 -6.720
188 HG21 THR 19 HG21 THR 19 8.658 1.860 -9.216
189 HG22 THR 19 HG22 THR 19 9.776 0.728 -9.977
190 HG23 THR 19 HG23 THR 19 10.346 1.808 -8.705
191 H VAL 20 H VAL 20 6.876 2.888 -7.650
192 HA VAL 20 HA VAL 20 4.285 1.700 -8.110
193 HB VAL 20 HB VAL 20 3.643 3.909 -8.950
194 HG11 VAL 20 HG11 VAL 20 3.716 4.809 -6.873
195 HG12 VAL 20 HG12 VAL 20 5.480 4.806 -6.841
196 HG13 VAL 20 HG13 VAL 20 4.586 3.344 -6.423
197 HG21 VAL 20 HG21 VAL 20 5.274 4.811 -10.289
198 HG22 VAL 20 HG22 VAL 20 6.584 4.118 -9.332
199 HG23 VAL 20 HG23 VAL 20 5.766 5.580 -8.780
200 H GLU 21 H GLU 21 7.116 2.003 -10.063
201 HA GLU 21 HA GLU 21 5.944 2.095 -12.661
202 HB2 GLU 21 HB2 GLU 21 8.392 2.345 -12.169
203 HB3 GLU 21 HB3 GLU 21 8.462 0.612 -11.849
204 HG2 GLU 21 HG2 GLU 21 7.601 0.186 -14.149
205 HG3 GLU 21 HG3 GLU 21 7.658 1.922 -14.462
206 H LYS 22 H LYS 22 5.098 0.469 -13.974
207 HA LYS 22 HA LYS 22 4.183 -1.947 -12.622
208 HB2 LYS 22 HB2 LYS 22 2.861 -0.681 -14.377
209 HB3 LYS 22 HB3 LYS 22 4.003 -1.288 -15.575
210 HG2 LYS 22 HG2 LYS 22 2.297 -2.886 -15.677
211 HG3 LYS 22 HG3 LYS 22 3.430 -3.631 -14.550
212 HD2 LYS 22 HD2 LYS 22 2.128 -2.858 -12.645
213 HD3 LYS 22 HD3 LYS 22 1.057 -1.942 -13.705
214 HE2 LYS 22 HE2 LYS 22 0.686 -4.282 -14.860
215 HE3 LYS 22 HE3 LYS 22 1.249 -4.911 -13.311
216 HZ1 LYS 22 HZ1 LYS 22 -1.290 -4.107 -13.890
217 HZ2 LYS 22 HZ2 LYS 22 -0.656 -2.801 -13.009
218 HZ3 LYS 22 HZ3 LYS 22 -0.655 -4.362 -12.338
219 H GLY 23 H GLY 23 5.114 -3.957 -12.725
220 HA2 GLY 23 HA2 GLY 23 6.522 -5.695 -13.490
221 HA3 GLY 23 HA3 GLY 23 6.903 -4.709 -14.903
222 H GLY 24 H GLY 24 7.255 -3.573 -11.591
223 HA2 GLY 24 HA2 GLY 24 9.914 -2.643 -12.013
224 HA3 GLY 24 HA3 GLY 24 9.160 -2.844 -10.431
225 HA PRO 25 HA PRO 25 12.497 -6.176 -11.553
226 HB2 PRO 25 HB2 PRO 25 14.430 -5.179 -9.808
227 HB3 PRO 25 HB3 PRO 25 14.415 -4.945 -11.565
228 HG2 PRO 25 HG2 PRO 25 13.574 -3.100 -9.404
229 HG3 PRO 25 HG3 PRO 25 14.331 -2.747 -10.965
230 HD2 PRO 25 HD2 PRO 25 11.683 -2.324 -10.505
231 HD3 PRO 25 HD3 PRO 25 12.312 -2.776 -12.106
232 H HIS 26 H HIS 26 11.030 -4.761 -8.766
233 HA HIS 26 HA HIS 26 10.412 -5.675 -6.699
234 HB2 HIS 26 HB2 HIS 26 11.136 -8.359 -7.903
235 HB3 HIS 26 HB3 HIS 26 9.993 -8.039 -6.607
236 HD1 HIS 26 HD1 HIS 26 8.114 -6.036 -7.571
237 HD2 HIS 26 HD2 HIS 26 9.715 -8.855 -10.170
238 HE1 HIS 26 HE1 HIS 26 6.537 -6.150 -9.548
239 HE2 HIS 26 HE2 HIS 26 7.512 -7.853 -11.152
240 H LYS 27 H LYS 27 12.989 -4.671 -6.778
241 HA LYS 27 HA LYS 27 15.106 -6.411 -6.093
242 HB2 LYS 27 HB2 LYS 27 14.560 -3.672 -4.905
243 HB3 LYS 27 HB3 LYS 27 16.126 -4.473 -5.032
244 HG2 LYS 27 HG2 LYS 27 15.851 -4.502 -7.517
245 HG3 LYS 27 HG3 LYS 27 14.374 -3.558 -7.314
246 HD2 LYS 27 HD2 LYS 27 15.708 -1.803 -6.133
247 HD3 LYS 27 HD3 LYS 27 17.170 -2.723 -6.490
248 HE2 LYS 27 HE2 LYS 27 16.578 -2.581 -8.932
249 HE3 LYS 27 HE3 LYS 27 15.258 -1.497 -8.495
250 HZ1 LYS 27 HZ1 LYS 27 16.836 0.026 -7.535
251 HZ2 LYS 27 HZ2 LYS 27 17.278 -0.302 -9.142
252 HZ3 LYS 27 HZ3 LYS 27 18.121 -1.032 -7.859
253 H VAL 28 H VAL 28 12.551 -4.989 -4.131
254 HA VAL 28 HA VAL 28 13.236 -6.932 -1.960
255 HB VAL 28 HB VAL 28 11.996 -4.335 -1.215
256 HG11 VAL 28 HG11 VAL 28 12.485 -6.172 0.403
257 HG12 VAL 28 HG12 VAL 28 13.336 -4.678 0.792
258 HG13 VAL 28 HG13 VAL 28 14.199 -6.009 0.021
259 HG21 VAL 28 HG21 VAL 28 14.280 -3.301 -1.065
260 HG22 VAL 28 HG22 VAL 28 13.745 -3.569 -2.724
261 HG23 VAL 28 HG23 VAL 28 14.910 -4.666 -1.985
262 H GLY 29 H GLY 29 10.637 -4.562 -2.639
263 HA2 GLY 29 HA2 GLY 29 8.663 -6.654 -1.915
264 HA3 GLY 29 HA3 GLY 29 8.317 -4.931 -2.090
265 HA PRO 30 HA PRO 30 7.400 -7.590 -6.016
266 HB2 PRO 30 HB2 PRO 30 4.627 -7.413 -5.764
267 HB3 PRO 30 HB3 PRO 30 5.609 -8.831 -5.360
268 HG2 PRO 30 HG2 PRO 30 4.440 -6.767 -3.589
269 HG3 PRO 30 HG3 PRO 30 4.747 -8.483 -3.281
270 HD2 PRO 30 HD2 PRO 30 6.308 -6.491 -2.253
271 HD3 PRO 30 HD3 PRO 30 6.929 -8.116 -2.621
272 H ASN 31 H ASN 31 6.981 -4.561 -4.757
273 HA ASN 31 HA ASN 31 6.577 -2.493 -5.728
274 HB2 ASN 31 HB2 ASN 31 6.853 -3.948 -8.364
275 HB3 ASN 31 HB3 ASN 31 7.104 -2.229 -8.066
276 HD21 ASN 31 HD21 ASN 31 8.484 -2.746 -5.449
277 HD22 ASN 31 HD22 ASN 31 10.026 -3.331 -5.859
278 H LEU 32 H LEU 32 4.412 -2.248 -5.085
279 HA LEU 32 HA LEU 32 2.280 -3.371 -6.777
280 HB2 LEU 32 HB2 LEU 32 2.023 -1.501 -4.419
281 HB3 LEU 32 HB3 LEU 32 0.779 -2.534 -5.107
282 HG LEU 32 HG LEU 32 3.235 -3.369 -3.563
283 HD11 LEU 32 HD11 LEU 32 0.418 -4.338 -3.157
284 HD12 LEU 32 HD12 LEU 32 0.892 -2.747 -2.548
285 HD13 LEU 32 HD13 LEU 32 1.728 -4.194 -1.983
286 HD21 LEU 32 HD21 LEU 32 1.450 -4.981 -5.392
287 HD22 LEU 32 HD22 LEU 32 2.341 -5.731 -4.069
288 HD23 LEU 32 HD23 LEU 32 3.211 -4.914 -5.367
289 H HIS 33 H HIS 33 0.751 -2.062 -7.875
290 HA HIS 33 HA HIS 33 0.920 0.817 -7.952
291 HB2 HIS 33 HB2 HIS 33 2.949 0.290 -9.253
292 HB3 HIS 33 HB3 HIS 33 1.995 -0.729 -10.326
293 HD1 HIS 33 HD1 HIS 33 1.855 2.885 -9.075
294 HD2 HIS 33 HD2 HIS 33 1.119 0.674 -12.535
295 HE1 HIS 33 HE1 HIS 33 1.172 4.550 -10.860
296 HE2 HIS 33 HE2 HIS 33 0.722 3.214 -12.970
297 H GLY 34 H GLY 34 -1.324 0.840 -7.821
298 HA2 GLY 34 HA2 GLY 34 -3.400 1.061 -8.997
299 HA3 GLY 34 HA3 GLY 34 -2.747 0.053 -10.289
300 H ILE 35 H ILE 35 -2.022 -1.403 -7.356
301 HA ILE 35 HA ILE 35 -3.838 -3.581 -7.845
302 HB ILE 35 HB ILE 35 -2.967 -4.577 -5.864
303 HG12 ILE 35 HG12 ILE 35 -1.405 -2.778 -4.503
304 HG13 ILE 35 HG13 ILE 35 -2.761 -1.761 -4.984
305 HG21 ILE 35 HG21 ILE 35 -1.346 -4.107 -7.771
306 HG22 ILE 35 HG22 ILE 35 -0.610 -4.415 -6.199
307 HG23 ILE 35 HG23 ILE 35 -0.739 -2.764 -6.804
308 HD11 ILE 35 HD11 ILE 35 -3.030 -4.441 -3.587
309 HD12 ILE 35 HD12 ILE 35 -4.339 -3.323 -3.967
310 HD13 ILE 35 HD13 ILE 35 -3.119 -2.879 -2.776
311 H PHE 36 H PHE 36 -4.306 -0.535 -6.491
312 HA PHE 36 HA PHE 36 -6.050 -0.859 -4.352
313 HB2 PHE 36 HB2 PHE 36 -5.949 1.087 -6.632
314 HB3 PHE 36 HB3 PHE 36 -7.326 1.134 -5.532
315 HD1 PHE 36 HD1 PHE 36 -3.564 0.874 -5.384
316 HD2 PHE 36 HD2 PHE 36 -7.163 2.455 -3.641
317 HE1 PHE 36 HE1 PHE 36 -2.219 2.108 -3.704
318 HE2 PHE 36 HE2 PHE 36 -5.817 3.694 -1.978
319 HZ PHE 36 HZ PHE 36 -3.347 3.511 -1.997
320 H GLY 37 H GLY 37 -6.657 -1.502 -7.764
321 HA2 GLY 37 HA2 GLY 37 -9.405 -2.442 -7.038
322 HA3 GLY 37 HA3 GLY 37 -8.942 -1.896 -8.652
323 H ARG 38 H ARG 38 -7.023 -4.004 -6.550
324 HA ARG 38 HA ARG 38 -7.582 -6.275 -8.401
325 HB2 ARG 38 HB2 ARG 38 -5.412 -5.012 -8.944
326 HB3 ARG 38 HB3 ARG 38 -4.811 -5.597 -7.398
327 HG2 ARG 38 HG2 ARG 38 -4.088 -7.125 -9.147
328 HG3 ARG 38 HG3 ARG 38 -5.278 -7.933 -8.133
329 HD2 ARG 38 HD2 ARG 38 -5.450 -8.021 -10.785
330 HD3 ARG 38 HD3 ARG 38 -6.898 -7.927 -9.787
331 HE ARG 38 HE ARG 38 -5.788 -5.333 -10.628
332 HH11 ARG 38 HH21 ARG 38 -7.967 -7.949 -11.185
333 HH12 ARG 38 HH22 ARG 38 -9.037 -7.019 -12.178
334 HH21 ARG 38 HH11 ARG 38 -7.174 -4.106 -11.923
335 HH22 ARG 38 HH12 ARG 38 -8.589 -4.843 -12.597
336 H HIS 39 H HIS 39 -6.881 -8.388 -7.402
337 HA HIS 39 HA HIS 39 -7.597 -8.405 -4.554
338 HB2 HIS 39 HB2 HIS 39 -7.219 -10.466 -6.684
339 HB3 HIS 39 HB3 HIS 39 -7.087 -10.967 -5.000
340 HD1 HIS 39 HD1 HIS 39 -9.523 -9.118 -7.270
341 HD2 HIS 39 HD2 HIS 39 -9.540 -11.323 -3.736
342 HE1 HIS 39 HE1 HIS 39 -11.954 -9.406 -6.619
343 HE2 HIS 39 HE2 HIS 39 -11.974 -10.747 -4.467
344 H SER 40 H SER 40 -6.245 -9.358 -2.911
345 HA SER 40 HA SER 40 -3.498 -8.542 -3.081
346 HB2 SER 40 HB2 SER 40 -5.157 -9.144 -1.015
347 HB3 SER 40 HB3 SER 40 -4.200 -10.615 -1.085
348 HG SER 40 HG SER 40 -3.330 -8.863 0.237
349 H GLY 41 H GLY 41 -1.696 -9.707 -3.578
350 HA2 GLY 41 HA2 GLY 41 -0.440 -11.765 -3.813
351 HA3 GLY 41 HA3 GLY 41 -1.959 -12.634 -3.994
352 H GLN 42 H GLN 42 -2.234 -9.885 -5.834
353 HA GLN 42 HA GLN 42 -1.344 -11.405 -8.254
354 HB2 GLN 42 HB2 GLN 42 -3.406 -9.208 -7.968
355 HB3 GLN 42 HB3 GLN 42 -2.959 -9.985 -9.489
356 HG2 GLN 42 HG2 GLN 42 -3.615 -12.179 -8.552
357 HG3 GLN 42 HG3 GLN 42 -4.097 -11.385 -7.053
358 HE21 GLN 42 HE21 GLN 42 -6.145 -12.722 -8.217
359 HE22 GLN 42 HE22 GLN 42 -7.204 -11.676 -9.035
360 H ALA 43 H ALA 43 0.493 -10.687 -9.124
361 HA ALA 43 HA ALA 43 0.953 -7.810 -9.470
362 HB1 ALA 43 HB1 ALA 43 3.374 -8.940 -8.363
363 HB2 ALA 43 HB2 ALA 43 2.044 -9.113 -7.218
364 HB3 ALA 43 HB3 ALA 43 2.475 -7.518 -7.835
365 H GLU 44 H GLU 44 3.526 -7.801 -10.313
366 HA GLU 44 HA GLU 44 3.620 -9.914 -12.430
367 HB2 GLU 44 HB2 GLU 44 4.450 -7.003 -12.645
368 HB3 GLU 44 HB3 GLU 44 4.628 -8.212 -13.916
369 HG2 GLU 44 HG2 GLU 44 2.161 -8.565 -13.882
370 HG3 GLU 44 HG3 GLU 44 2.019 -7.272 -12.690
371 H GLY 45 H GLY 45 5.850 -10.396 -13.172
372 HA2 GLY 45 HA2 GLY 45 8.128 -10.824 -12.770
373 HA3 GLY 45 HA3 GLY 45 8.136 -9.404 -11.721
374 H TYR 46 H TYR 46 7.059 -9.738 -9.535
375 HA TYR 46 HA TYR 46 7.476 -12.539 -8.583
376 HB2 TYR 46 HB2 TYR 46 9.342 -11.380 -7.719
377 HB3 TYR 46 HB3 TYR 46 8.385 -9.941 -7.366
378 HD1 TYR 46 HD1 TYR 46 8.169 -13.613 -6.583
379 HD2 TYR 46 HD2 TYR 46 7.978 -9.586 -5.116
380 HE1 TYR 46 HE1 TYR 46 7.695 -14.466 -4.301
381 HE2 TYR 46 HE2 TYR 46 7.504 -10.431 -2.837
382 HH TYR 46 HH TYR 46 8.147 -13.131 -1.713
383 H SER 47 H SER 47 5.757 -13.404 -7.671
384 HA SER 47 HA SER 47 3.386 -11.810 -7.126
385 HB2 SER 47 HB2 SER 47 3.968 -14.696 -6.388
386 HB3 SER 47 HB3 SER 47 2.384 -13.926 -6.432
387 HG SER 47 HG SER 47 2.343 -14.363 -8.475
388 H TYR 48 H TYR 48 2.416 -11.650 -4.983
389 HA TYR 48 HA TYR 48 4.156 -10.706 -2.970
390 HB2 TYR 48 HB2 TYR 48 1.415 -11.930 -2.589
391 HB3 TYR 48 HB3 TYR 48 2.240 -10.889 -1.448
392 HD1 TYR 48 HD1 TYR 48 3.165 -9.513 -4.541
393 HD2 TYR 48 HD2 TYR 48 -0.284 -9.942 -1.995
394 HE1 TYR 48 HE1 TYR 48 2.143 -7.527 -5.576
395 HE2 TYR 48 HE2 TYR 48 -1.292 -7.947 -3.047
396 HH TYR 48 HH TYR 48 -0.360 -5.847 -4.272
397 H THR 49 H THR 49 3.682 -11.918 -0.588
398 HA THR 49 HA THR 49 5.452 -14.195 -0.666
399 HB THR 49 HB THR 49 3.650 -13.293 1.600
400 HG1 THR 49 HG1 THR 49 6.335 -12.598 1.016
401 HG21 THR 49 HG21 THR 49 5.325 -14.402 3.013
402 HG22 THR 49 HG22 THR 49 6.238 -14.870 1.577
403 HG23 THR 49 HG23 THR 49 4.634 -15.546 1.862
404 H ASP 50 H ASP 50 4.956 -16.406 -0.354
405 HA ASP 50 HA ASP 50 2.664 -17.452 -1.568
406 HB2 ASP 50 HB2 ASP 50 4.749 -18.731 -0.940
407 HB3 ASP 50 HB3 ASP 50 4.145 -18.783 0.717
408 H ALA 51 H ALA 51 3.158 -16.717 1.895
409 HA ALA 51 HA ALA 51 0.598 -17.736 2.735
410 HB1 ALA 51 HB1 ALA 51 1.108 -15.789 4.562
411 HB2 ALA 51 HB2 ALA 51 2.725 -16.023 3.898
412 HB3 ALA 51 HB3 ALA 51 1.861 -17.383 4.615
413 H ASN 52 H ASN 52 1.735 -14.484 1.877
414 HA ASN 52 HA ASN 52 -0.712 -13.097 2.220
415 HB2 ASN 52 HB2 ASN 52 1.461 -11.994 1.830
416 HB3 ASN 52 HB3 ASN 52 1.483 -12.618 0.182
417 HD21 ASN 52 HD21 ASN 52 1.601 -9.944 0.163
418 HD22 ASN 52 HD22 ASN 52 0.090 -9.243 -0.177
419 H ILE 53 H ILE 53 0.610 -14.807 -0.596
420 HA ILE 53 HA ILE 53 -1.566 -14.196 -2.357
421 HB ILE 53 HB ILE 53 0.363 -16.520 -2.367
422 HG12 ILE 53 HG12 ILE 53 0.374 -13.926 -3.938
423 HG13 ILE 53 HG13 ILE 53 1.349 -14.210 -2.497
424 HG21 ILE 53 HG21 ILE 53 -0.254 -16.661 -4.784
425 HG22 ILE 53 HG22 ILE 53 -1.509 -15.455 -4.500
426 HG23 ILE 53 HG23 ILE 53 -1.607 -17.031 -3.714
427 HD11 ILE 53 HD11 ILE 53 1.519 -15.623 -5.165
428 HD12 ILE 53 HD12 ILE 53 2.257 -16.283 -3.705
429 HD13 ILE 53 HD13 ILE 53 2.784 -14.721 -4.331
430 H LYS 54 H LYS 54 -1.068 -16.704 0.067
431 HA LYS 54 HA LYS 54 -3.097 -18.512 -0.695
432 HB2 LYS 54 HB2 LYS 54 -1.526 -18.902 1.190
433 HB3 LYS 54 HB3 LYS 54 -2.370 -17.665 2.117
434 HG2 LYS 54 HG2 LYS 54 -4.467 -18.967 1.929
435 HG3 LYS 54 HG3 LYS 54 -3.590 -20.226 1.059
436 HD2 LYS 54 HD2 LYS 54 -2.066 -20.453 3.038
437 HD3 LYS 54 HD3 LYS 54 -3.091 -19.310 3.905
438 HE2 LYS 54 HE2 LYS 54 -4.139 -21.868 2.671
439 HE3 LYS 54 HE3 LYS 54 -3.618 -21.748 4.351
440 HZ1 LYS 54 HZ1 LYS 54 -5.228 -19.657 4.220
441 HZ2 LYS 54 HZ2 LYS 54 -5.775 -21.211 4.638
442 HZ3 LYS 54 HZ3 LYS 54 -5.973 -20.635 3.053
443 H LYS 55 H LYS 55 -3.303 -15.528 1.221
444 HA LYS 55 HA LYS 55 -6.276 -15.710 1.094
445 HB2 LYS 55 HB2 LYS 55 -5.098 -15.242 3.310
446 HB3 LYS 55 HB3 LYS 55 -4.609 -13.695 2.621
447 HG2 LYS 55 HG2 LYS 55 -6.988 -13.134 2.212
448 HG3 LYS 55 HG3 LYS 55 -7.462 -14.663 2.955
449 HD2 LYS 55 HD2 LYS 55 -6.274 -13.948 5.047
450 HD3 LYS 55 HD3 LYS 55 -5.996 -12.375 4.297
451 HE2 LYS 55 HE2 LYS 55 -8.601 -12.450 3.882
452 HE3 LYS 55 HE3 LYS 55 -8.573 -13.605 5.214
453 HZ1 LYS 55 HZ1 LYS 55 -7.237 -11.894 6.451
454 HZ2 LYS 55 HZ2 LYS 55 -8.866 -11.494 6.175
455 HZ3 LYS 55 HZ3 LYS 55 -7.642 -10.794 5.226
456 H ASN 56 H ASN 56 -7.127 -14.688 -0.662
457 HA ASN 56 HA ASN 56 -5.770 -12.195 -1.617
458 HB2 ASN 56 HB2 ASN 56 -7.092 -12.894 -3.807
459 HB3 ASN 56 HB3 ASN 56 -5.509 -13.578 -3.448
460 HD21 ASN 56 HD21 ASN 56 -8.305 -14.601 -4.670
461 HD22 ASN 56 HD22 ASN 56 -8.436 -16.142 -3.971
462 H VAL 57 H VAL 57 -6.979 -10.417 -1.344
463 HA VAL 57 HA VAL 57 -9.944 -10.686 -1.396
464 HB VAL 57 HB VAL 57 -8.301 -9.030 0.528
465 HG11 VAL 57 HG11 VAL 57 -10.162 -7.793 0.801
466 HG12 VAL 57 HG12 VAL 57 -11.031 -9.247 1.290
467 HG13 VAL 57 HG13 VAL 57 -11.006 -8.765 -0.406
468 HG21 VAL 57 HG21 VAL 57 -8.195 -11.170 1.426
469 HG22 VAL 57 HG22 VAL 57 -9.723 -11.661 0.697
470 HG23 VAL 57 HG23 VAL 57 -9.720 -10.617 2.118
471 H LEU 58 H LEU 58 -11.015 -9.039 -2.487
472 HA LEU 58 HA LEU 58 -9.638 -7.491 -4.405
473 HB2 LEU 58 HB2 LEU 58 -12.082 -7.887 -4.469
474 HB3 LEU 58 HB3 LEU 58 -12.275 -6.825 -3.075
475 HG LEU 58 HG LEU 58 -11.202 -4.979 -4.396
476 HD11 LEU 58 HD11 LEU 58 -10.014 -5.690 -6.196
477 HD12 LEU 58 HD12 LEU 58 -11.572 -5.756 -7.019
478 HD13 LEU 58 HD13 LEU 58 -10.898 -7.213 -6.291
479 HD21 LEU 58 HD21 LEU 58 -13.780 -6.306 -5.090
480 HD22 LEU 58 HD22 LEU 58 -13.229 -5.022 -6.166
481 HD23 LEU 58 HD23 LEU 58 -13.485 -4.688 -4.454
482 H TRP 59 H TRP 59 -8.838 -5.371 -4.370
483 HA TRP 59 HA TRP 59 -8.403 -4.306 -1.647
484 HB2 TRP 59 HB2 TRP 59 -6.950 -4.070 -4.249
485 HB3 TRP 59 HB3 TRP 59 -6.741 -2.809 -3.034
486 HD1 TRP 59 HD1 TRP 59 -5.157 -5.860 -4.049
487 HE1 TRP 59 HE1 TRP 59 -3.864 -6.969 -2.115
488 HE3 TRP 59 HE3 TRP 59 -7.169 -3.346 -0.079
489 HZ2 TRP 59 HZ2 TRP 59 -3.719 -6.820 0.737
490 HZ3 TRP 59 HZ3 TRP 59 -6.442 -3.858 2.231
491 HH2 TRP 59 HH2 TRP 59 -4.717 -5.590 2.646
492 H ASP 60 H ASP 60 -8.795 -2.134 -1.145
493 HA ASP 60 HA ASP 60 -10.102 -0.374 -3.098
494 HB2 ASP 60 HB2 ASP 60 -11.915 -1.899 -2.131
495 HB3 ASP 60 HB3 ASP 60 -11.595 -1.136 -0.574
496 H GLU 61 H GLU 61 -10.396 1.834 -2.088
497 HA GLU 61 HA GLU 61 -8.117 2.610 -0.594
498 HB2 GLU 61 HB2 GLU 61 -10.820 3.971 -0.816
499 HB3 GLU 61 HB3 GLU 61 -9.370 4.728 -0.160
500 HG2 GLU 61 HG2 GLU 61 -9.344 5.421 -2.401
501 HG3 GLU 61 HG3 GLU 61 -8.261 4.032 -2.406
502 H ASN 62 H ASN 62 -11.380 1.726 0.471
503 HA ASN 62 HA ASN 62 -10.923 2.353 3.253
504 HB2 ASN 62 HB2 ASN 62 -13.181 2.033 2.106
505 HB3 ASN 62 HB3 ASN 62 -12.870 0.298 2.186
506 HD21 ASN 62 HD21 ASN 62 -13.730 -0.665 4.022
507 HD22 ASN 62 HD22 ASN 62 -13.961 0.111 5.520
508 H ASN 63 H ASN 63 -10.784 -0.703 1.393
509 HA ASN 63 HA ASN 63 -10.021 -2.324 3.631
510 HB2 ASN 63 HB2 ASN 63 -9.577 -2.703 0.658
511 HB3 ASN 63 HB3 ASN 63 -9.297 -3.945 1.876
512 HD21 ASN 63 HD21 ASN 63 -11.248 -4.333 -0.173
513 HD22 ASN 63 HD22 ASN 63 -12.793 -4.329 0.545
514 H MET 64 H MET 64 -8.116 -0.673 1.116
515 HA MET 64 HA MET 64 -5.578 -1.637 1.994
516 HB2 MET 64 HB2 MET 64 -6.371 0.872 0.501
517 HB3 MET 64 HB3 MET 64 -4.698 0.412 0.784
518 HG2 MET 64 HG2 MET 64 -5.340 -1.857 -0.258
519 HG3 MET 64 HG3 MET 64 -6.783 -1.035 -0.841
520 HE1 MET 64 HE1 MET 64 -3.175 -1.633 -0.861
521 HE2 MET 64 HE2 MET 64 -2.865 0.066 -0.510
522 HE3 MET 64 HE3 MET 64 -2.442 -0.590 -2.089
523 H SER 65 H SER 65 -7.562 1.100 3.028
524 HA SER 65 HA SER 65 -5.626 2.479 4.566
525 HB2 SER 65 HB2 SER 65 -7.497 3.418 5.795
526 HB3 SER 65 HB3 SER 65 -7.977 3.258 4.108
527 HG SER 65 HG SER 65 -8.590 1.529 6.276
528 H GLU 66 H GLU 66 -7.503 -0.431 5.290
529 HA GLU 66 HA GLU 66 -6.777 -0.575 8.075
530 HB2 GLU 66 HB2 GLU 66 -7.557 -2.764 6.121
531 HB3 GLU 66 HB3 GLU 66 -7.437 -2.973 7.868
532 HG2 GLU 66 HG2 GLU 66 -9.143 -1.185 8.171
533 HG3 GLU 66 HG3 GLU 66 -9.301 -1.071 6.418
534 H TYR 67 H TYR 67 -5.357 -1.944 5.107
535 HA TYR 67 HA TYR 67 -3.270 -3.397 6.455
536 HB2 TYR 67 HB2 TYR 67 -3.950 -3.824 4.094
537 HB3 TYR 67 HB3 TYR 67 -3.244 -2.272 3.639
538 HD1 TYR 67 HD1 TYR 67 -0.805 -1.884 3.844
539 HD2 TYR 67 HD2 TYR 67 -2.560 -5.727 4.630
540 HE1 TYR 67 HE1 TYR 67 1.438 -2.940 3.713
541 HE2 TYR 67 HE2 TYR 67 -0.319 -6.779 4.497
542 HH TYR 67 HH TYR 67 1.829 -6.445 3.821
543 H LEU 68 H LEU 68 -3.421 -0.129 5.059
544 HA LEU 68 HA LEU 68 -0.710 0.572 5.312
545 HB2 LEU 68 HB2 LEU 68 -3.278 2.061 5.259
546 HB3 LEU 68 HB3 LEU 68 -1.873 2.933 5.872
547 HG LEU 68 HG LEU 68 -0.618 2.294 3.821
548 HD11 LEU 68 HD11 LEU 68 -1.712 1.238 1.969
549 HD12 LEU 68 HD12 LEU 68 -3.287 1.356 2.748
550 HD13 LEU 68 HD13 LEU 68 -2.073 0.244 3.378
551 HD21 LEU 68 HD21 LEU 68 -1.949 4.430 4.034
552 HD22 LEU 68 HD22 LEU 68 -3.257 3.620 3.174
553 HD23 LEU 68 HD23 LEU 68 -1.710 3.886 2.372
554 H THR 69 H THR 69 -3.220 0.488 7.803
555 HA THR 69 HA THR 69 -2.000 1.927 9.852
556 HB THR 69 HB THR 69 -3.320 -0.779 10.207
557 HG1 THR 69 HG1 THR 69 -5.078 1.037 10.598
558 HG21 THR 69 HG21 THR 69 -3.765 -0.099 12.401
559 HG22 THR 69 HG22 THR 69 -3.510 1.604 12.022
560 HG23 THR 69 HG23 THR 69 -2.132 0.508 12.127
561 H ASN 70 H ASN 70 -1.328 -1.390 8.798
562 HA ASN 70 HA ASN 70 1.435 -1.181 9.667
563 HB2 ASN 70 HB2 ASN 70 0.100 -1.757 11.793
564 HB3 ASN 70 HB3 ASN 70 -0.190 -3.323 11.044
565 HD21 ASN 70 HD21 ASN 70 1.359 -4.874 11.535
566 HD22 ASN 70 HD22 ASN 70 2.970 -4.540 11.973
567 H HIS 71 H HIS 71 2.659 -3.129 8.957
568 HA HIS 71 HA HIS 71 1.564 -4.147 6.470
569 HB2 HIS 71 HB2 HIS 71 4.144 -4.368 7.938
570 HB3 HIS 71 HB3 HIS 71 3.773 -5.636 6.770
571 HD1 HIS 71 HD1 HIS 71 4.034 -1.843 6.967
572 HD2 HIS 71 HD2 HIS 71 4.156 -4.889 4.117
573 HE1 HIS 71 HE1 HIS 71 4.688 -0.750 4.772
574 H ALA 72 H ALA 72 0.919 -6.233 5.977
575 HA ALA 72 HA ALA 72 0.100 -8.392 6.327
576 HB1 ALA 72 HB1 ALA 72 2.442 -8.552 7.423
577 HB2 ALA 72 HB2 ALA 72 1.246 -9.784 7.827
578 HB3 ALA 72 HB3 ALA 72 1.567 -8.465 8.951
579 H LYS 73 H LYS 73 -0.724 -5.794 8.217
580 HA LYS 73 HA LYS 73 -2.142 -6.945 10.396
581 HB2 LYS 73 HB2 LYS 73 -1.798 -4.480 10.009
582 HB3 LYS 73 HB3 LYS 73 -3.037 -4.554 8.761
583 HG2 LYS 73 HG2 LYS 73 -4.655 -5.407 10.429
584 HG3 LYS 73 HG3 LYS 73 -3.416 -5.286 11.680
585 HD2 LYS 73 HD2 LYS 73 -3.222 -2.841 11.177
586 HD3 LYS 73 HD3 LYS 73 -4.576 -3.002 10.058
587 HE2 LYS 73 HE2 LYS 73 -4.592 -3.463 13.049
588 HE3 LYS 73 HE3 LYS 73 -5.501 -2.254 12.143
589 HZ1 LYS 73 HZ1 LYS 73 -6.157 -4.967 12.676
590 HZ2 LYS 73 HZ2 LYS 73 -6.156 -4.666 11.003
591 HZ3 LYS 73 HZ3 LYS 73 -7.130 -3.733 12.037
592 H TYR 74 H TYR 74 -3.284 -6.164 7.106
593 HA TYR 74 HA TYR 74 -5.873 -7.394 7.493
594 HB2 TYR 74 HB2 TYR 74 -5.247 -5.651 5.729
595 HB3 TYR 74 HB3 TYR 74 -4.461 -6.963 4.850
596 HD1 TYR 74 HD2 TYR 74 -7.688 -5.669 6.097
597 HD2 TYR 74 HD1 TYR 74 -5.742 -8.696 3.755
598 HE1 TYR 74 HE2 TYR 74 -9.881 -6.353 5.165
599 HE2 TYR 74 HE1 TYR 74 -7.932 -9.381 2.823
600 HH TYR 74 HH TYR 74 -10.275 -9.253 3.348
601 H ILE 75 H ILE 75 -2.741 -8.464 6.302
602 HA ILE 75 HA ILE 75 -3.807 -11.258 6.153
603 HB ILE 75 HB ILE 75 -1.478 -11.121 4.579
604 HG12 ILE 75 HG12 ILE 75 -3.355 -8.856 3.859
605 HG13 ILE 75 HG13 ILE 75 -1.818 -8.615 4.692
606 HG21 ILE 75 HG21 ILE 75 -3.599 -12.443 4.230
607 HG22 ILE 75 HG22 ILE 75 -2.953 -11.688 2.772
608 HG23 ILE 75 HG23 ILE 75 -4.335 -10.967 3.601
609 HD11 ILE 75 HD11 ILE 75 -2.275 -9.712 1.917
610 HD12 ILE 75 HD12 ILE 75 -0.746 -9.923 2.770
611 HD13 ILE 75 HD13 ILE 75 -1.324 -8.302 2.388
612 HA PRO 76 HA PRO 76 -0.555 -10.957 9.459
613 HB2 PRO 76 HB2 PRO 76 -2.099 -13.238 10.534
614 HB3 PRO 76 HB3 PRO 76 -1.618 -11.730 11.331
615 HG2 PRO 76 HG2 PRO 76 -4.157 -12.245 10.610
616 HG3 PRO 76 HG3 PRO 76 -3.477 -10.610 10.633
617 HD2 PRO 76 HD2 PRO 76 -4.048 -12.380 8.290
618 HD3 PRO 76 HD3 PRO 76 -4.133 -10.608 8.416
619 H GLY 77 H GLY 77 1.223 -12.325 9.772
620 HA2 GLY 77 HA2 GLY 77 2.354 -14.469 9.634
621 HA3 GLY 77 HA3 GLY 77 1.152 -14.988 8.451
622 H THR 78 H THR 78 1.618 -12.056 7.323
623 HA THR 78 HA THR 78 3.610 -12.969 5.382
624 HB THR 78 HB THR 78 3.084 -10.922 4.165
625 HG1 THR 78 HG1 THR 78 2.844 -9.469 5.810
626 HG21 THR 78 HG21 THR 78 1.548 -12.827 3.959
627 HG22 THR 78 HG22 THR 78 0.669 -11.305 3.854
628 HG23 THR 78 HG23 THR 78 0.627 -12.244 5.344
629 H LYS 79 H LYS 79 5.334 -11.278 4.719
630 HA LYS 79 HA LYS 79 7.090 -10.884 6.952
631 HB2 LYS 79 HB2 LYS 79 7.194 -9.631 4.195
632 HB3 LYS 79 HB3 LYS 79 8.534 -9.728 5.335
633 HG2 LYS 79 HG2 LYS 79 8.374 -12.210 5.271
634 HG3 LYS 79 HG3 LYS 79 7.096 -12.075 4.062
635 HD2 LYS 79 HD2 LYS 79 8.710 -10.754 2.633
636 HD3 LYS 79 HD3 LYS 79 9.973 -11.170 3.791
637 HE2 LYS 79 HE2 LYS 79 8.730 -13.606 3.254
638 HE3 LYS 79 HE3 LYS 79 8.788 -12.802 1.684
639 HZ1 LYS 79 HZ1 LYS 79 11.019 -12.885 1.624
640 HZ2 LYS 79 HZ2 LYS 79 10.824 -14.165 2.724
641 HZ3 LYS 79 HZ3 LYS 79 11.197 -12.607 3.288
642 H MET 80 H MET 80 7.749 -8.939 7.957
643 HA MET 80 HA MET 80 5.964 -6.575 7.516
644 HB2 MET 80 HB2 MET 80 7.074 -7.643 10.134
645 HB3 MET 80 HB3 MET 80 6.201 -6.120 9.961
646 HG2 MET 80 HG2 MET 80 4.249 -7.383 9.058
647 HG3 MET 80 HG3 MET 80 5.118 -8.888 9.357
648 HE1 MET 80 HE1 MET 80 2.101 -8.348 11.170
649 HE2 MET 80 HE2 MET 80 2.956 -9.626 12.029
650 HE3 MET 80 HE3 MET 80 3.111 -9.497 10.280
651 H ALA 81 H ALA 81 7.067 -4.483 8.024
652 HA ALA 81 HA ALA 81 9.895 -4.438 8.600
653 HB1 ALA 81 HB1 ALA 81 9.823 -5.369 6.236
654 HB2 ALA 81 HB2 ALA 81 10.800 -3.916 6.452
655 HB3 ALA 81 HB3 ALA 81 9.194 -3.801 5.731
656 H PHE 82 H PHE 82 7.004 -2.793 7.447
657 HA PHE 82 HA PHE 82 8.293 -0.159 7.842
658 HB2 PHE 82 HB2 PHE 82 6.624 -0.623 5.963
659 HB3 PHE 82 HB3 PHE 82 5.378 -0.669 7.211
660 HD1 PHE 82 HD2 PHE 82 8.047 1.448 5.720
661 HD2 PHE 82 HD1 PHE 82 4.535 1.322 8.176
662 HE1 PHE 82 HE2 PHE 82 7.976 3.923 5.740
663 HE2 PHE 82 HE1 PHE 82 4.466 3.796 8.207
664 HZ PHE 82 HZ PHE 82 6.181 5.101 6.983
665 H GLY 83 H GLY 83 7.924 1.133 9.631
666 HA2 GLY 83 HA2 GLY 83 7.137 0.001 12.088
667 HA3 GLY 83 HA3 GLY 83 7.200 1.734 11.780
668 H GLY 84 H GLY 84 5.178 1.870 9.769
669 HA2 GLY 84 HA2 GLY 84 2.781 1.074 9.598
670 HA3 GLY 84 HA3 GLY 84 2.761 1.087 11.359
671 H LEU 85 H LEU 85 1.366 2.705 9.072
672 HA LEU 85 HA LEU 85 2.096 5.457 9.880
673 HB2 LEU 85 HB2 LEU 85 -0.035 4.551 7.928
674 HB3 LEU 85 HB3 LEU 85 0.669 6.156 8.067
675 HG LEU 85 HG LEU 85 2.344 3.724 7.411
676 HD11 LEU 85 HD11 LEU 85 1.165 5.697 5.442
677 HD12 LEU 85 HD12 LEU 85 0.491 4.093 5.738
678 HD13 LEU 85 HD13 LEU 85 2.116 4.256 5.072
679 HD21 LEU 85 HD21 LEU 85 3.917 5.389 6.563
680 HD22 LEU 85 HD22 LEU 85 3.484 5.826 8.211
681 HD23 LEU 85 HD23 LEU 85 2.758 6.681 6.856
682 H LYS 86 H LYS 86 1.266 4.643 12.130
683 HA LYS 86 HA LYS 86 -1.494 4.240 12.625
684 HB2 LYS 86 HB2 LYS 86 0.624 5.547 14.359
685 HB3 LYS 86 HB3 LYS 86 -0.961 5.036 14.931
686 HG2 LYS 86 HG2 LYS 86 -0.443 2.712 14.176
687 HG3 LYS 86 HG3 LYS 86 1.180 3.252 13.744
688 HD2 LYS 86 HD2 LYS 86 1.518 3.992 16.108
689 HD3 LYS 86 HD3 LYS 86 -0.059 3.312 16.511
690 HE2 LYS 86 HE2 LYS 86 1.595 1.412 15.043
691 HE3 LYS 86 HE3 LYS 86 2.372 1.943 16.534
692 HZ1 LYS 86 HZ1 LYS 86 0.907 0.831 17.757
693 HZ2 LYS 86 HZ2 LYS 86 0.423 0.051 16.327
694 HZ3 LYS 86 HZ3 LYS 86 -0.419 1.420 16.877
695 H LYS 87 H LYS 87 0.374 7.185 12.127
696 HA LYS 87 HA LYS 87 -1.698 9.001 12.989
697 HB2 LYS 87 HB2 LYS 87 0.752 9.578 12.720
698 HB3 LYS 87 HB3 LYS 87 0.500 9.549 10.974
699 HG2 LYS 87 HG2 LYS 87 -1.255 11.284 11.212
700 HG3 LYS 87 HG3 LYS 87 -0.956 11.333 12.950
701 HD2 LYS 87 HD2 LYS 87 1.435 11.924 12.459
702 HD3 LYS 87 HD3 LYS 87 1.010 12.033 10.750
703 HE2 LYS 87 HE2 LYS 87 0.639 13.998 12.825
704 HE3 LYS 87 HE3 LYS 87 0.346 14.154 11.093
705 HZ1 LYS 87 HZ1 LYS 87 -1.707 14.511 12.168
706 HZ2 LYS 87 HZ2 LYS 87 -1.519 13.147 13.164
707 HZ3 LYS 87 HZ3 LYS 87 -1.798 12.955 11.499
708 H GLU 88 H GLU 88 -3.536 9.523 11.925
709 HA GLU 88 HA GLU 88 -4.268 8.294 9.449
710 HB2 GLU 88 HB2 GLU 88 -5.456 10.671 10.888
711 HB3 GLU 88 HB3 GLU 88 -6.217 9.848 9.529
712 HG2 GLU 88 HG2 GLU 88 -6.185 7.728 10.826
713 HG3 GLU 88 HG3 GLU 88 -5.500 8.600 12.198
714 H LYS 89 H LYS 89 -2.735 11.357 10.203
715 HA LYS 89 HA LYS 89 -3.242 12.781 7.820
716 HB2 LYS 89 HB2 LYS 89 -2.015 13.627 9.862
717 HB3 LYS 89 HB3 LYS 89 -0.601 12.746 9.293
718 HG2 LYS 89 HG2 LYS 89 -0.688 14.007 7.159
719 HG3 LYS 89 HG3 LYS 89 -2.060 14.927 7.775
720 HD2 LYS 89 HD2 LYS 89 -0.631 15.675 9.692
721 HD3 LYS 89 HD3 LYS 89 0.740 14.866 8.933
722 HE2 LYS 89 HE2 LYS 89 -0.598 17.398 8.197
723 HE3 LYS 89 HE3 LYS 89 1.069 16.887 7.933
724 HZ1 LYS 89 HZ1 LYS 89 -1.202 15.743 6.418
725 HZ2 LYS 89 HZ2 LYS 89 0.455 15.641 6.059
726 HZ3 LYS 89 HZ3 LYS 89 -0.364 17.121 5.892
727 H ASP 90 H ASP 90 -0.481 10.621 8.521
728 HA ASP 90 HA ASP 90 0.583 10.745 5.857
729 HB2 ASP 90 HB2 ASP 90 0.861 8.554 7.940
730 HB3 ASP 90 HB3 ASP 90 1.864 8.745 6.507
731 H ARG 91 H ARG 91 -1.474 8.321 7.482
732 HA ARG 91 HA ARG 91 -1.771 6.559 5.290
733 HB2 ARG 91 HB2 ARG 91 -2.538 6.097 7.622
734 HB3 ARG 91 HB3 ARG 91 -3.867 7.229 7.373
735 HG2 ARG 91 HG2 ARG 91 -4.605 5.851 5.416
736 HG3 ARG 91 HG3 ARG 91 -3.354 4.676 5.824
737 HD2 ARG 91 HD2 ARG 91 -5.631 5.537 7.633
738 HD3 ARG 91 HD3 ARG 91 -5.517 3.998 6.781
739 HE ARG 91 HE ARG 91 -3.170 4.228 8.320
740 HH11 ARG 91 HH21 ARG 91 -6.590 4.105 8.729
741 HH12 ARG 91 HH22 ARG 91 -6.511 3.356 10.288
742 HH21 ARG 91 HH11 ARG 91 -3.046 3.252 10.357
743 HH22 ARG 91 HH12 ARG 91 -4.504 2.873 11.210
744 H ASN 92 H ASN 92 -3.660 9.467 6.127
745 HA ASN 92 HA ASN 92 -5.564 9.142 4.000
746 HB2 ASN 92 HB2 ASN 92 -4.685 11.613 5.515
747 HB3 ASN 92 HB3 ASN 92 -6.061 11.550 4.419
748 HD21 ASN 92 HD21 ASN 92 -6.693 12.214 6.999
749 HD22 ASN 92 HD22 ASN 92 -7.423 10.910 7.805
750 H ASP 93 H ASP 93 -2.759 11.346 4.277
751 HA ASP 93 HA ASP 93 -2.924 12.303 1.594
752 HB2 ASP 93 HB2 ASP 93 -0.551 12.079 3.466
753 HB3 ASP 93 HB3 ASP 93 -0.523 12.955 1.935
754 H LEU 94 H LEU 94 -1.142 9.589 3.014
755 HA LEU 94 HA LEU 94 0.408 8.792 0.825
756 HB2 LEU 94 HB2 LEU 94 0.559 7.681 2.986
757 HB3 LEU 94 HB3 LEU 94 -1.090 7.088 2.833
758 HG LEU 94 HG LEU 94 -0.467 5.713 0.920
759 HD11 LEU 94 HD11 LEU 94 2.075 7.274 1.163
760 HD12 LEU 94 HD12 LEU 94 1.190 6.794 -0.284
761 HD13 LEU 94 HD13 LEU 94 2.168 5.611 0.584
762 HD21 LEU 94 HD21 LEU 94 1.773 5.166 2.815
763 HD22 LEU 94 HD22 LEU 94 0.562 4.062 2.158
764 HD23 LEU 94 HD23 LEU 94 0.135 5.162 3.468
765 H ILE 95 H ILE 95 -2.811 7.518 1.627
766 HA ILE 95 HA ILE 95 -3.161 6.188 -0.870
767 HB ILE 95 HB ILE 95 -5.160 7.131 1.187
768 HG12 ILE 95 HG12 ILE 95 -3.916 4.418 0.633
769 HG13 ILE 95 HG13 ILE 95 -3.426 5.507 1.929
770 HG21 ILE 95 HG21 ILE 95 -5.467 5.883 -1.444
771 HG22 ILE 95 HG22 ILE 95 -6.672 6.661 -0.422
772 HG23 ILE 95 HG23 ILE 95 -6.240 4.974 -0.147
773 HD11 ILE 95 HD11 ILE 95 -5.181 4.922 3.233
774 HD12 ILE 95 HD12 ILE 95 -5.397 3.564 2.129
775 HD13 ILE 95 HD13 ILE 95 -6.318 5.047 1.891
776 H THR 96 H THR 96 -3.908 9.472 0.181
777 HA THR 96 HA THR 96 -5.700 10.231 -1.843
778 HB THR 96 HB THR 96 -3.435 11.914 -0.737
779 HG1 THR 96 HG1 THR 96 -4.438 11.511 1.063
780 HG21 THR 96 HG21 THR 96 -6.193 12.751 -1.626
781 HG22 THR 96 HG22 THR 96 -4.807 12.743 -2.715
782 HG23 THR 96 HG23 THR 96 -4.805 13.784 -1.291
783 H TYR 97 H TYR 97 -2.150 10.069 -1.909
784 HA TYR 97 HA TYR 97 -1.966 11.022 -4.644
785 HB2 TYR 97 HB2 TYR 97 -0.075 11.321 -3.154
786 HB3 TYR 97 HB3 TYR 97 0.016 9.585 -2.860
787 HD1 TYR 97 HD2 TYR 97 0.321 12.185 -5.523
788 HD2 TYR 97 HD1 TYR 97 1.185 8.158 -4.321
789 HE1 TYR 97 HE2 TYR 97 1.782 11.904 -7.509
790 HE2 TYR 97 HE1 TYR 97 2.638 7.870 -6.302
791 HH TYR 97 HH TYR 97 3.431 10.580 -8.405
792 H LEU 98 H LEU 98 -1.773 7.821 -3.095
793 HA LEU 98 HA LEU 98 -1.292 6.316 -5.465
794 HB2 LEU 98 HB2 LEU 98 -2.848 5.483 -3.004
795 HB3 LEU 98 HB3 LEU 98 -2.118 4.396 -4.181
796 HG LEU 98 HG LEU 98 -0.559 6.413 -2.541
797 HD11 LEU 98 HD11 LEU 98 -1.064 3.452 -2.153
798 HD12 LEU 98 HD12 LEU 98 -1.387 4.755 -1.011
799 HD13 LEU 98 HD13 LEU 98 0.276 4.302 -1.384
800 HD21 LEU 98 HD21 LEU 98 1.294 4.741 -3.309
801 HD22 LEU 98 HD22 LEU 98 0.712 5.949 -4.452
802 HD23 LEU 98 HD23 LEU 98 0.131 4.289 -4.554
803 H LYS 99 H LYS 99 -4.340 7.215 -3.867
804 HA LYS 99 HA LYS 99 -6.076 5.876 -5.684
805 HB2 LYS 99 HB2 LYS 99 -6.819 6.778 -3.512
806 HB3 LYS 99 HB3 LYS 99 -6.573 8.410 -4.115
807 HG2 LYS 99 HG2 LYS 99 -8.226 7.940 -5.938
808 HG3 LYS 99 HG3 LYS 99 -8.530 6.368 -5.197
809 HD2 LYS 99 HD2 LYS 99 -9.122 7.584 -3.064
810 HD3 LYS 99 HD3 LYS 99 -9.024 9.092 -3.972
811 HE2 LYS 99 HE2 LYS 99 -10.804 6.775 -4.771
812 HE3 LYS 99 HE3 LYS 99 -11.356 8.140 -3.799
813 HZ1 LYS 99 HZ1 LYS 99 -11.758 9.136 -5.730
814 HZ2 LYS 99 HZ2 LYS 99 -10.876 7.987 -6.617
815 HZ3 LYS 99 HZ3 LYS 99 -10.079 9.305 -5.900
816 H LYS 100 H LYS 100 -4.629 9.106 -5.760
817 HA LYS 100 HA LYS 100 -6.046 10.137 -8.001
818 HB2 LYS 100 HB2 LYS 100 -4.440 11.388 -6.475
819 HB3 LYS 100 HB3 LYS 100 -3.128 10.648 -7.383
820 HG2 LYS 100 HG2 LYS 100 -4.045 11.615 -9.476
821 HG3 LYS 100 HG3 LYS 100 -5.311 12.407 -8.537
822 HD2 LYS 100 HD2 LYS 100 -3.522 13.564 -7.210
823 HD3 LYS 100 HD3 LYS 100 -2.325 12.873 -8.305
824 HE2 LYS 100 HE2 LYS 100 -4.461 14.912 -8.897
825 HE3 LYS 100 HE3 LYS 100 -2.734 14.987 -9.248
826 HZ1 LYS 100 HZ1 LYS 100 -4.743 13.237 -10.556
827 HZ2 LYS 100 HZ2 LYS 100 -3.068 13.130 -10.819
828 HZ3 LYS 100 HZ3 LYS 100 -3.912 14.537 -11.261
829 H ALA 101 H ALA 101 -3.084 8.224 -7.795
830 HA ALA 101 HA ALA 101 -2.590 8.163 -10.638
831 HB1 ALA 101 HB1 ALA 101 -1.695 5.886 -8.932
832 HB2 ALA 101 HB2 ALA 101 -1.084 7.486 -8.513
833 HB3 ALA 101 HB3 ALA 101 -0.786 6.823 -10.119
834 H THR 102 H THR 102 -4.027 5.811 -8.373
835 HA THR 102 HA THR 102 -4.781 3.911 -10.378
836 HB THR 102 HB THR 102 -6.183 4.464 -7.742
837 HG1 THR 102 HG1 THR 102 -3.903 2.920 -8.398
838 HG21 THR 102 HG21 THR 102 -7.284 2.493 -8.046
839 HG22 THR 102 HG22 THR 102 -5.901 1.727 -8.829
840 HG23 THR 102 HG23 THR 102 -6.956 2.798 -9.752
841 H GLU 103 H GLU 103 -6.223 6.870 -9.170
842 HA GLU 103 HA GLU 103 -8.730 6.411 -10.651
843 HB2 GLU 103 HB2 GLU 103 -8.701 7.593 -8.442
844 HB3 GLU 103 HB3 GLU 103 -7.787 8.899 -9.198
845 HG2 GLU 103 HG2 GLU 103 -9.639 9.198 -10.841
846 HG3 GLU 103 HG3 GLU 103 -10.563 7.965 -9.982
847 HHA HEC 104 HA HEC 104 2.466 -6.246 1.203
848 HHB HEC 104 HB HEC 104 1.371 -0.006 1.322
849 HHC HEC 104 HC HEC 104 7.457 1.017 2.713
850 HHD HEC 104 HD HEC 104 8.562 -5.199 2.405
851 HMA1 HEC 104 1HMA HEC 104 -1.306 -2.596 0.836
852 HMA2 HEC 104 2HMA HEC 104 -0.428 -1.616 -0.337
853 HMA3 HEC 104 3HMA HEC 104 -0.609 -1.058 1.326
854 HAA1 HEC 104 1HAA HEC 104 0.373 -5.975 1.069
855 HAA2 HEC 104 2HAA HEC 104 -0.671 -4.888 1.957
856 HBA1 HEC 104 1HBA HEC 104 -0.651 -4.063 -0.780
857 HBA2 HEC 104 2HBA HEC 104 -1.996 -4.713 0.157
858 HMB1 HEC 104 1HMB HEC 104 1.776 2.231 1.144
859 HMB2 HEC 104 2HMB HEC 104 1.935 2.259 2.902
860 HMB3 HEC 104 3HMB HEC 104 2.864 3.387 1.914
861 HAB HEC 104 HAB HEC 104 6.579 2.907 2.269
862 HBB1 HEC 104 1HBB HEC 104 4.605 4.796 2.913
863 HBB2 HEC 104 2HBB HEC 104 5.793 4.083 4.003
864 HBB3 HEC 104 3HBB HEC 104 4.200 3.344 3.829
865 HMC1 HEC 104 1HMC HEC 104 9.840 0.637 2.640
866 HMC2 HEC 104 2HMC HEC 104 9.401 0.169 4.285
867 HMC3 HEC 104 3HMC HEC 104 10.766 -0.605 3.481
868 HAC HEC 104 HAC HEC 104 10.418 -4.120 2.105
869 HBC1 HEC 104 1HBC HEC 104 10.759 -2.588 4.598
870 HBC2 HEC 104 2HBC HEC 104 11.225 -4.248 4.228
871 HBC3 HEC 104 3HBC HEC 104 12.261 -2.908 3.733
872 HMD1 HEC 104 1HMD HEC 104 7.674 -7.480 3.290
873 HMD2 HEC 104 2HMD HEC 104 8.214 -7.555 1.613
874 HMD3 HEC 104 3HMD HEC 104 6.931 -8.624 2.175
875 HAD1 HEC 104 1HAD HEC 104 5.173 -8.786 0.793
876 HAD2 HEC 104 2HAD HEC 104 3.679 -7.950 0.444
877 HBD1 HEC 104 1HBD HEC 104 3.308 -8.100 3.038
878 HBD2 HEC 104 2HBD HEC 104 4.491 -9.404 2.932
Start of MODEL 14
1 H1 THR -5 H1 THR -5 -13.923 10.429 -0.828
2 H2 THR -5 H2 THR -5 -15.244 11.389 -1.297
3 H3 THR -5 H3 THR -5 -15.476 9.752 -0.906
4 HA THR -5 HA THR -5 -14.345 11.583 1.099
5 HB THR -5 HB THR -5 -16.780 11.833 1.884
6 HG1 THR -5 HG1 THR -5 -17.623 10.284 0.429
7 HG21 THR -5 HG21 THR -5 -15.752 13.798 1.108
8 HG22 THR -5 HG22 THR -5 -17.179 13.662 0.080
9 HG23 THR -5 HG23 THR -5 -15.599 13.178 -0.536
10 H GLU -4 H GLU -4 -14.519 8.589 0.148
11 HA GLU -4 HA GLU -4 -15.989 7.150 2.124
12 HB2 GLU -4 HB2 GLU -4 -13.468 6.387 0.618
13 HB3 GLU -4 HB3 GLU -4 -14.445 5.262 1.563
14 HG2 GLU -4 HG2 GLU -4 -15.461 6.893 -0.783
15 HG3 GLU -4 HG3 GLU -4 -15.021 5.186 -0.853
16 H PHE -3 H PHE -3 -12.780 8.604 2.166
17 HA PHE -3 HA PHE -3 -12.649 8.005 5.078
18 HB2 PHE -3 HB2 PHE -3 -10.247 7.518 4.881
19 HB3 PHE -3 HB3 PHE -3 -11.179 6.409 3.876
20 HD1 PHE -3 HD1 PHE -3 -11.329 6.781 1.404
21 HD2 PHE -3 HD2 PHE -3 -8.728 9.100 3.914
22 HE1 PHE -3 HE1 PHE -3 -10.066 7.530 -0.594
23 HE2 PHE -3 HE2 PHE -3 -7.466 9.849 1.916
24 HZ PHE -3 HZ PHE -3 -8.134 9.064 -0.338
25 H LYS -2 H LYS -2 -11.172 9.529 6.231
26 HA LYS -2 HA LYS -2 -11.600 12.242 5.320
27 HB2 LYS -2 HB2 LYS -2 -11.485 11.542 7.735
28 HB3 LYS -2 HB3 LYS -2 -9.755 11.277 7.525
29 HG2 LYS -2 HG2 LYS -2 -9.839 13.464 8.373
30 HG3 LYS -2 HG3 LYS -2 -9.722 13.727 6.634
31 HD2 LYS -2 HD2 LYS -2 -12.101 14.118 6.460
32 HD3 LYS -2 HD3 LYS -2 -12.353 13.623 8.134
33 HE2 LYS -2 HE2 LYS -2 -11.812 15.670 8.911
34 HE3 LYS -2 HE3 LYS -2 -10.358 15.738 7.915
35 HZ1 LYS -2 HZ1 LYS -2 -12.154 16.065 6.037
36 HZ2 LYS -2 HZ2 LYS -2 -11.561 17.376 6.941
37 HZ3 LYS -2 HZ3 LYS -2 -13.063 16.682 7.331
38 H ALA -1 H ALA -1 -10.251 13.508 4.113
39 HA ALA -1 HA ALA -1 -7.607 12.356 3.377
40 HB1 ALA -1 HB1 ALA -1 -7.831 14.211 1.541
41 HB2 ALA -1 HB2 ALA -1 -9.536 14.192 1.990
42 HB3 ALA -1 HB3 ALA -1 -8.767 12.725 1.384
43 H GLY 1 H GLY 1 -6.333 14.636 2.475
44 HA2 GLY 1 HA2 GLY 1 -6.456 16.778 4.440
45 HA3 GLY 1 HA3 GLY 1 -5.071 15.714 4.688
46 H SER 2 H SER 2 -3.641 15.383 2.751
47 HA SER 2 HA SER 2 -3.815 17.440 0.661
48 HB2 SER 2 HB2 SER 2 -1.881 18.616 1.215
49 HB3 SER 2 HB3 SER 2 -2.521 18.270 2.818
50 HG SER 2 HG SER 2 -0.238 17.409 1.628
51 H ALA 3 H ALA 3 -3.538 16.180 -1.115
52 HA ALA 3 HA ALA 3 -2.206 13.634 -1.074
53 HB1 ALA 3 HB1 ALA 3 -2.443 15.121 -3.645
54 HB2 ALA 3 HB2 ALA 3 -3.941 14.772 -2.782
55 HB3 ALA 3 HB3 ALA 3 -2.876 13.454 -3.267
56 H LYS 4 H LYS 4 -1.118 16.906 -1.699
57 HA LYS 4 HA LYS 4 1.284 16.369 -3.100
58 HB2 LYS 4 HB2 LYS 4 0.791 18.497 -0.993
59 HB3 LYS 4 HB3 LYS 4 2.060 18.526 -2.218
60 HG2 LYS 4 HG2 LYS 4 0.630 19.169 -3.861
61 HG3 LYS 4 HG3 LYS 4 -0.645 18.087 -3.301
62 HD2 LYS 4 HD2 LYS 4 0.071 20.559 -1.733
63 HD3 LYS 4 HD3 LYS 4 -1.041 20.649 -3.100
64 HE2 LYS 4 HE2 LYS 4 -2.661 19.359 -2.046
65 HE3 LYS 4 HE3 LYS 4 -1.487 18.528 -1.028
66 HZ1 LYS 4 HZ1 LYS 4 -3.026 20.390 -0.064
67 HZ2 LYS 4 HZ2 LYS 4 -1.828 21.418 -0.692
68 HZ3 LYS 4 HZ3 LYS 4 -1.420 20.236 0.458
69 H LYS 5 H LYS 5 0.759 16.617 0.438
70 HA LYS 5 HA LYS 5 3.451 15.915 1.126
71 HB2 LYS 5 HB2 LYS 5 0.879 15.655 2.690
72 HB3 LYS 5 HB3 LYS 5 2.487 15.457 3.376
73 HG2 LYS 5 HG2 LYS 5 3.052 17.769 2.616
74 HG3 LYS 5 HG3 LYS 5 1.384 17.960 2.072
75 HD2 LYS 5 HD2 LYS 5 0.614 17.472 4.398
76 HD3 LYS 5 HD3 LYS 5 2.301 17.428 4.913
77 HE2 LYS 5 HE2 LYS 5 2.423 19.787 3.763
78 HE3 LYS 5 HE3 LYS 5 0.672 19.770 3.972
79 HZ1 LYS 5 HZ1 LYS 5 0.884 20.136 6.137
80 HZ2 LYS 5 HZ2 LYS 5 2.528 20.458 5.860
81 HZ3 LYS 5 HZ3 LYS 5 2.032 18.901 6.322
82 H GLY 6 H GLY 6 0.474 14.008 0.818
83 HA2 GLY 6 HA2 GLY 6 1.618 11.510 1.624
84 HA3 GLY 6 HA3 GLY 6 0.154 11.690 0.661
85 H ALA 7 H ALA 7 1.437 13.161 -1.493
86 HA ALA 7 HA ALA 7 2.232 10.985 -3.138
87 HB1 ALA 7 HB1 ALA 7 2.782 12.626 -4.797
88 HB2 ALA 7 HB2 ALA 7 3.034 13.868 -3.571
89 HB3 ALA 7 HB3 ALA 7 1.408 13.270 -3.898
90 H THR 8 H THR 8 4.200 13.416 -1.429
91 HA THR 8 HA THR 8 6.693 12.242 -2.334
92 HB THR 8 HB THR 8 7.748 13.813 -0.829
93 HG1 THR 8 HG1 THR 8 6.785 14.312 0.947
94 HG21 THR 8 HG21 THR 8 6.011 14.511 -2.880
95 HG22 THR 8 HG22 THR 8 7.219 15.566 -2.146
96 HG23 THR 8 HG23 THR 8 5.554 15.590 -1.563
97 H LEU 9 H LEU 9 4.579 11.825 0.446
98 HA LEU 9 HA LEU 9 6.328 10.568 2.252
99 HB2 LEU 9 HB2 LEU 9 3.927 11.119 2.702
100 HB3 LEU 9 HB3 LEU 9 3.462 9.768 1.669
101 HG LEU 9 HG LEU 9 4.820 8.255 3.155
102 HD11 LEU 9 HD11 LEU 9 6.351 9.571 4.299
103 HD12 LEU 9 HD12 LEU 9 5.098 9.403 5.525
104 HD13 LEU 9 HD13 LEU 9 5.196 10.876 4.561
105 HD21 LEU 9 HD21 LEU 9 2.791 9.710 4.835
106 HD22 LEU 9 HD22 LEU 9 3.068 7.975 4.687
107 HD23 LEU 9 HD23 LEU 9 2.276 8.856 3.382
108 H PHE 10 H PHE 10 4.459 9.121 -0.406
109 HA PHE 10 HA PHE 10 5.449 6.455 -0.036
110 HB2 PHE 10 HB2 PHE 10 3.436 6.982 -1.382
111 HB3 PHE 10 HB3 PHE 10 4.452 7.808 -2.563
112 HD1 PHE 10 HD2 PHE 10 6.326 6.445 -3.705
113 HD2 PHE 10 HD1 PHE 10 3.092 4.650 -1.513
114 HE1 PHE 10 HE2 PHE 10 6.747 4.290 -4.848
115 HE2 PHE 10 HE1 PHE 10 3.512 2.492 -2.667
116 HZ PHE 10 HZ PHE 10 5.338 2.317 -4.345
117 H LYS 11 H LYS 11 6.466 9.127 -2.149
118 HA LYS 11 HA LYS 11 8.554 7.749 -3.464
119 HB2 LYS 11 HB2 LYS 11 8.296 10.691 -2.812
120 HB3 LYS 11 HB3 LYS 11 9.446 10.014 -3.960
121 HG2 LYS 11 HG2 LYS 11 7.528 9.035 -5.232
122 HG3 LYS 11 HG3 LYS 11 6.430 9.873 -4.137
123 HD2 LYS 11 HD2 LYS 11 7.502 12.036 -4.779
124 HD3 LYS 11 HD3 LYS 11 8.481 11.162 -5.958
125 HE2 LYS 11 HE2 LYS 11 6.500 12.135 -7.045
126 HE3 LYS 11 HE3 LYS 11 6.417 10.373 -7.075
127 HZ1 LYS 11 HZ1 LYS 11 4.564 12.141 -6.006
128 HZ2 LYS 11 HZ2 LYS 11 5.270 11.334 -4.689
129 HZ3 LYS 11 HZ3 LYS 11 4.536 10.447 -5.938
130 H THR 12 H THR 12 8.484 9.376 -0.344
131 HA THR 12 HA THR 12 11.410 9.021 -0.062
132 HB THR 12 HB THR 12 9.524 10.220 1.971
133 HG1 THR 12 HG1 THR 12 10.947 11.713 0.065
134 HG21 THR 12 HG21 THR 12 11.701 9.860 2.872
135 HG22 THR 12 HG22 THR 12 11.649 11.565 2.426
136 HG23 THR 12 HG23 THR 12 12.485 10.408 1.390
137 H ARG 13 H ARG 13 8.824 7.022 0.417
138 HA ARG 13 HA ARG 13 10.264 5.653 2.647
139 HB2 ARG 13 HB2 ARG 13 7.291 6.170 2.477
140 HB3 ARG 13 HB3 ARG 13 8.033 5.048 3.616
141 HG2 ARG 13 HG2 ARG 13 9.458 6.934 4.458
142 HG3 ARG 13 HG3 ARG 13 8.551 8.029 3.415
143 HD2 ARG 13 HD2 ARG 13 6.450 7.301 4.564
144 HD3 ARG 13 HD3 ARG 13 7.433 6.345 5.672
145 HE ARG 13 HE ARG 13 8.276 9.126 5.567
146 HH11 ARG 13 HH21 ARG 13 6.051 6.839 6.873
147 HH12 ARG 13 HH22 ARG 13 5.742 7.759 8.308
148 HH21 ARG 13 HH11 ARG 13 7.884 10.342 7.432
149 HH22 ARG 13 HH12 ARG 13 6.780 9.742 8.625
150 H CYS 14 H CYS 14 7.323 4.989 0.693
151 HA CYS 14 HA CYS 14 7.888 2.179 0.576
152 HB2 CYS 14 HB2 CYS 14 6.284 3.471 -1.574
153 HB3 CYS 14 HB3 CYS 14 5.964 1.986 -0.687
154 H LEU 15 H LEU 15 8.926 4.859 -1.421
155 HA LEU 15 HA LEU 15 9.639 3.500 -3.784
156 HB2 LEU 15 HB2 LEU 15 9.820 5.949 -3.474
157 HB3 LEU 15 HB3 LEU 15 11.210 5.702 -2.423
158 HG LEU 15 HG LEU 15 12.331 4.491 -4.339
159 HD11 LEU 15 HD11 LEU 15 9.775 5.353 -5.663
160 HD12 LEU 15 HD12 LEU 15 10.645 3.827 -5.809
161 HD13 LEU 15 HD13 LEU 15 11.257 5.270 -6.615
162 HD21 LEU 15 HD21 LEU 15 11.811 7.325 -4.009
163 HD22 LEU 15 HD22 LEU 15 12.089 6.938 -5.707
164 HD23 LEU 15 HD23 LEU 15 13.303 6.519 -4.498
165 H GLN 16 H GLN 16 11.296 3.632 -0.669
166 HA GLN 16 HA GLN 16 13.779 2.527 -1.431
167 HB2 GLN 16 HB2 GLN 16 12.214 2.151 1.138
168 HB3 GLN 16 HB3 GLN 16 13.910 1.716 0.930
169 HG2 GLN 16 HG2 GLN 16 14.465 4.047 0.395
170 HG3 GLN 16 HG3 GLN 16 12.765 4.498 0.543
171 HE21 GLN 16 HE21 GLN 16 14.719 5.715 2.221
172 HE22 GLN 16 HE22 GLN 16 14.475 5.186 3.816
173 H CYS 17 H CYS 17 10.695 0.886 -0.723
174 HA CYS 17 HA CYS 17 12.014 -1.675 -1.528
175 HB2 CYS 17 HB2 CYS 17 9.567 -1.232 0.192
176 HB3 CYS 17 HB3 CYS 17 10.189 -2.808 -0.286
177 H HIS 18 H HIS 18 8.993 0.178 -1.883
178 HA HIS 18 HA HIS 18 8.245 -1.604 -4.144
179 HB2 HIS 18 HB2 HIS 18 6.682 0.639 -2.848
180 HB3 HIS 18 HB3 HIS 18 6.076 -0.466 -4.078
181 HD1 HIS 18 HD1 HIS 18 6.208 -3.126 -3.309
182 HD2 HIS 18 HD2 HIS 18 6.274 -0.248 -0.298
183 HE1 HIS 18 HE1 HIS 18 5.471 -4.293 -1.178
184 H THR 19 H THR 19 7.619 -0.710 -6.167
185 HA THR 19 HA THR 19 8.669 2.032 -6.731
186 HB THR 19 HB THR 19 8.750 -0.301 -8.643
187 HG1 THR 19 HG1 THR 19 10.282 0.164 -6.549
188 HG21 THR 19 HG21 THR 19 8.776 2.296 -9.263
189 HG22 THR 19 HG22 THR 19 9.765 1.125 -10.135
190 HG23 THR 19 HG23 THR 19 10.483 2.110 -8.860
191 H VAL 20 H VAL 20 7.116 3.327 -7.676
192 HA VAL 20 HA VAL 20 4.465 2.212 -8.160
193 HB VAL 20 HB VAL 20 3.858 4.531 -8.744
194 HG11 VAL 20 HG11 VAL 20 5.464 5.239 -6.469
195 HG12 VAL 20 HG12 VAL 20 4.875 3.588 -6.291
196 HG13 VAL 20 HG13 VAL 20 3.733 4.906 -6.537
197 HG21 VAL 20 HG21 VAL 20 6.791 4.715 -9.022
198 HG22 VAL 20 HG22 VAL 20 6.050 6.071 -8.171
199 HG23 VAL 20 HG23 VAL 20 5.528 5.665 -9.806
200 H GLU 21 H GLU 21 7.272 2.777 -10.086
201 HA GLU 21 HA GLU 21 6.176 3.288 -12.629
202 HB2 GLU 21 HB2 GLU 21 8.625 3.179 -12.093
203 HB3 GLU 21 HB3 GLU 21 8.492 1.421 -12.037
204 HG2 GLU 21 HG2 GLU 21 7.638 1.445 -14.381
205 HG3 GLU 21 HG3 GLU 21 7.897 3.191 -14.427
206 H LYS 22 H LYS 22 5.330 1.930 -14.261
207 HA LYS 22 HA LYS 22 3.717 -0.249 -13.459
208 HB2 LYS 22 HB2 LYS 22 3.506 1.042 -15.618
209 HB3 LYS 22 HB3 LYS 22 4.899 0.144 -16.223
210 HG2 LYS 22 HG2 LYS 22 3.683 -1.983 -15.817
211 HG3 LYS 22 HG3 LYS 22 2.278 -1.058 -15.285
212 HD2 LYS 22 HD2 LYS 22 2.255 0.082 -17.519
213 HD3 LYS 22 HD3 LYS 22 3.544 -1.005 -18.038
214 HE2 LYS 22 HE2 LYS 22 2.024 -2.935 -17.398
215 HE3 LYS 22 HE3 LYS 22 0.733 -1.752 -17.201
216 HZ1 LYS 22 HZ1 LYS 22 0.908 -2.861 -19.442
217 HZ2 LYS 22 HZ2 LYS 22 2.327 -1.958 -19.687
218 HZ3 LYS 22 HZ3 LYS 22 0.841 -1.166 -19.454
219 H GLY 23 H GLY 23 4.139 -2.412 -13.175
220 HA2 GLY 23 HA2 GLY 23 5.369 -4.411 -13.071
221 HA3 GLY 23 HA3 GLY 23 6.345 -3.793 -14.404
222 H GLY 24 H GLY 24 7.947 -2.049 -13.761
223 HA2 GLY 24 HA2 GLY 24 9.877 -1.527 -12.528
224 HA3 GLY 24 HA3 GLY 24 8.793 -1.525 -11.137
225 HA PRO 25 HA PRO 25 11.713 -5.223 -10.972
226 HB2 PRO 25 HB2 PRO 25 13.516 -4.353 -9.155
227 HB3 PRO 25 HB3 PRO 25 13.676 -3.990 -10.885
228 HG2 PRO 25 HG2 PRO 25 12.688 -2.264 -8.673
229 HG3 PRO 25 HG3 PRO 25 13.706 -1.847 -10.061
230 HD2 PRO 25 HD2 PRO 25 10.986 -1.341 -9.933
231 HD3 PRO 25 HD3 PRO 25 11.897 -1.512 -11.449
232 H HIS 26 H HIS 26 11.338 -6.819 -9.448
233 HA HIS 26 HA HIS 26 9.790 -6.027 -7.030
234 HB2 HIS 26 HB2 HIS 26 10.276 -8.783 -8.217
235 HB3 HIS 26 HB3 HIS 26 9.162 -8.397 -6.914
236 HD1 HIS 26 HD1 HIS 26 7.368 -6.346 -7.717
237 HD2 HIS 26 HD2 HIS 26 8.970 -8.869 -10.601
238 HE1 HIS 26 HE1 HIS 26 5.849 -6.165 -9.732
239 HE2 HIS 26 HE2 HIS 26 6.831 -7.676 -11.513
240 H LYS 27 H LYS 27 12.726 -5.676 -7.290
241 HA LYS 27 HA LYS 27 14.241 -7.705 -6.065
242 HB2 LYS 27 HB2 LYS 27 15.174 -5.603 -7.028
243 HB3 LYS 27 HB3 LYS 27 14.560 -4.721 -5.630
244 HG2 LYS 27 HG2 LYS 27 15.913 -6.176 -4.142
245 HG3 LYS 27 HG3 LYS 27 16.568 -6.992 -5.563
246 HD2 LYS 27 HD2 LYS 27 17.408 -4.771 -6.377
247 HD3 LYS 27 HD3 LYS 27 16.883 -4.063 -4.849
248 HE2 LYS 27 HE2 LYS 27 18.313 -6.153 -3.906
249 HE3 LYS 27 HE3 LYS 27 19.181 -5.858 -5.412
250 HZ1 LYS 27 HZ1 LYS 27 19.184 -4.338 -3.011
251 HZ2 LYS 27 HZ2 LYS 27 18.722 -3.374 -4.331
252 HZ3 LYS 27 HZ3 LYS 27 20.201 -4.211 -4.363
253 H VAL 28 H VAL 28 12.476 -5.035 -4.446
254 HA VAL 28 HA VAL 28 12.898 -6.457 -1.865
255 HB VAL 28 HB VAL 28 11.506 -3.847 -1.910
256 HG11 VAL 28 HG11 VAL 28 12.129 -4.923 0.189
257 HG12 VAL 28 HG12 VAL 28 13.087 -3.458 -0.017
258 HG13 VAL 28 HG13 VAL 28 13.809 -5.033 -0.335
259 HG21 VAL 28 HG21 VAL 28 14.288 -4.272 -2.968
260 HG22 VAL 28 HG22 VAL 28 13.920 -2.807 -2.060
261 HG23 VAL 28 HG23 VAL 28 13.038 -3.169 -3.544
262 H GLY 29 H GLY 29 10.224 -4.500 -3.191
263 HA2 GLY 29 HA2 GLY 29 8.347 -6.588 -2.165
264 HA3 GLY 29 HA3 GLY 29 7.934 -4.878 -2.338
265 HA PRO 30 HA PRO 30 7.011 -7.585 -6.224
266 HB2 PRO 30 HB2 PRO 30 4.243 -7.526 -5.903
267 HB3 PRO 30 HB3 PRO 30 5.292 -8.895 -5.517
268 HG2 PRO 30 HG2 PRO 30 4.079 -6.877 -3.730
269 HG3 PRO 30 HG3 PRO 30 4.470 -8.577 -3.425
270 HD2 PRO 30 HD2 PRO 30 5.965 -6.507 -2.444
271 HD3 PRO 30 HD3 PRO 30 6.645 -8.108 -2.811
272 H ASN 31 H ASN 31 6.670 -4.556 -5.053
273 HA ASN 31 HA ASN 31 6.248 -2.511 -6.092
274 HB2 ASN 31 HB2 ASN 31 5.963 -4.004 -8.697
275 HB3 ASN 31 HB3 ASN 31 6.574 -2.374 -8.427
276 HD21 ASN 31 HD21 ASN 31 8.332 -2.993 -6.197
277 HD22 ASN 31 HD22 ASN 31 9.609 -3.935 -6.801
278 H LEU 32 H LEU 32 4.143 -2.389 -5.028
279 HA LEU 32 HA LEU 32 1.741 -3.521 -6.021
280 HB2 LEU 32 HB2 LEU 32 2.069 -0.842 -4.630
281 HB3 LEU 32 HB3 LEU 32 0.580 -1.753 -4.772
282 HG LEU 32 HG LEU 32 1.362 -2.228 -2.591
283 HD11 LEU 32 HD11 LEU 32 2.509 -4.549 -4.137
284 HD12 LEU 32 HD12 LEU 32 0.775 -4.230 -4.096
285 HD13 LEU 32 HD13 LEU 32 1.643 -4.570 -2.601
286 HD21 LEU 32 HD21 LEU 32 3.521 -2.255 -1.940
287 HD22 LEU 32 HD22 LEU 32 3.856 -1.538 -3.511
288 HD23 LEU 32 HD23 LEU 32 4.021 -3.280 -3.283
289 H HIS 33 H HIS 33 0.726 -0.486 -6.058
290 HA HIS 33 HA HIS 33 0.312 1.147 -7.702
291 HB2 HIS 33 HB2 HIS 33 2.764 0.391 -8.437
292 HB3 HIS 33 HB3 HIS 33 1.872 -0.323 -9.782
293 HD1 HIS 33 HD1 HIS 33 1.327 1.227 -11.660
294 HD2 HIS 33 HD2 HIS 33 2.030 3.301 -8.109
295 HE1 HIS 33 HE1 HIS 33 1.207 3.694 -12.233
296 HE2 HIS 33 HE2 HIS 33 1.633 4.964 -10.080
297 H GLY 34 H GLY 34 -1.870 0.538 -7.867
298 HA2 GLY 34 HA2 GLY 34 -3.604 0.081 -9.489
299 HA3 GLY 34 HA3 GLY 34 -2.508 -1.028 -10.307
300 H ILE 35 H ILE 35 -2.220 -1.688 -7.052
301 HA ILE 35 HA ILE 35 -3.750 -4.142 -7.361
302 HB ILE 35 HB ILE 35 -2.976 -4.734 -5.161
303 HG12 ILE 35 HG12 ILE 35 -2.001 -1.872 -4.853
304 HG13 ILE 35 HG13 ILE 35 -3.464 -2.495 -4.094
305 HG21 ILE 35 HG21 ILE 35 -0.628 -3.160 -6.097
306 HG22 ILE 35 HG22 ILE 35 -1.339 -4.301 -7.237
307 HG23 ILE 35 HG23 ILE 35 -0.745 -4.869 -5.678
308 HD11 ILE 35 HD11 ILE 35 -2.222 -3.265 -2.398
309 HD12 ILE 35 HD12 ILE 35 -0.744 -2.767 -3.216
310 HD13 ILE 35 HD13 ILE 35 -1.425 -4.364 -3.522
311 H PHE 36 H PHE 36 -4.533 -0.984 -6.368
312 HA PHE 36 HA PHE 36 -6.396 -1.312 -4.317
313 HB2 PHE 36 HB2 PHE 36 -6.302 0.531 -6.692
314 HB3 PHE 36 HB3 PHE 36 -7.688 0.568 -5.602
315 HD1 PHE 36 HD1 PHE 36 -3.966 0.195 -5.141
316 HD2 PHE 36 HD2 PHE 36 -7.556 2.292 -4.054
317 HE1 PHE 36 HE1 PHE 36 -2.677 1.576 -3.536
318 HE2 PHE 36 HE2 PHE 36 -6.266 3.675 -2.453
319 HZ PHE 36 HZ PHE 36 -3.826 3.313 -2.191
320 H GLY 37 H GLY 37 -6.732 -2.201 -7.713
321 HA2 GLY 37 HA2 GLY 37 -9.518 -3.127 -7.135
322 HA3 GLY 37 HA3 GLY 37 -8.910 -2.745 -8.745
323 H ARG 38 H ARG 38 -7.116 -4.632 -6.345
324 HA ARG 38 HA ARG 38 -7.653 -7.087 -7.951
325 HB2 ARG 38 HB2 ARG 38 -4.926 -6.070 -7.112
326 HB3 ARG 38 HB3 ARG 38 -5.229 -7.663 -7.802
327 HG2 ARG 38 HG2 ARG 38 -6.076 -5.137 -9.222
328 HG3 ARG 38 HG3 ARG 38 -4.462 -5.815 -9.423
329 HD2 ARG 38 HD2 ARG 38 -5.598 -8.020 -10.023
330 HD3 ARG 38 HD3 ARG 38 -7.111 -7.117 -10.108
331 HE ARG 38 HE ARG 38 -4.930 -5.994 -11.721
332 HH11 ARG 38 HH21 ARG 38 -7.652 -8.096 -11.485
333 HH12 ARG 38 HH22 ARG 38 -7.968 -8.095 -13.188
334 HH21 ARG 38 HH11 ARG 38 -5.327 -5.980 -13.946
335 HH22 ARG 38 HH12 ARG 38 -6.652 -6.897 -14.582
336 H HIS 39 H HIS 39 -6.803 -9.067 -6.788
337 HA HIS 39 HA HIS 39 -7.600 -8.893 -3.949
338 HB2 HIS 39 HB2 HIS 39 -7.124 -11.146 -5.890
339 HB3 HIS 39 HB3 HIS 39 -7.216 -11.455 -4.159
340 HD1 HIS 39 HD1 HIS 39 -9.271 -9.265 -6.510
341 HD2 HIS 39 HD2 HIS 39 -9.823 -12.182 -3.591
342 HE1 HIS 39 HE1 HIS 39 -11.768 -9.609 -6.317
343 HE2 HIS 39 HE2 HIS 39 -12.121 -11.375 -4.527
344 H SER 40 H SER 40 -6.204 -9.483 -2.242
345 HA SER 40 HA SER 40 -3.470 -8.805 -2.514
346 HB2 SER 40 HB2 SER 40 -5.140 -9.467 -0.402
347 HB3 SER 40 HB3 SER 40 -3.978 -10.786 -0.417
348 HG SER 40 HG SER 40 -3.167 -8.092 -0.644
349 H GLY 41 H GLY 41 -1.721 -9.956 -3.167
350 HA2 GLY 41 HA2 GLY 41 -0.492 -12.083 -3.285
351 HA3 GLY 41 HA3 GLY 41 -2.031 -12.903 -3.503
352 H GLN 42 H GLN 42 -2.416 -10.259 -5.364
353 HA GLN 42 HA GLN 42 -1.473 -11.741 -7.772
354 HB2 GLN 42 HB2 GLN 42 -3.408 -9.419 -7.494
355 HB3 GLN 42 HB3 GLN 42 -2.985 -10.211 -9.015
356 HG2 GLN 42 HG2 GLN 42 -3.826 -12.349 -8.168
357 HG3 GLN 42 HG3 GLN 42 -4.207 -11.602 -6.616
358 HE21 GLN 42 HE21 GLN 42 -6.270 -12.817 -8.161
359 HE22 GLN 42 HE22 GLN 42 -7.310 -11.603 -8.734
360 H ALA 43 H ALA 43 0.555 -11.153 -8.356
361 HA ALA 43 HA ALA 43 1.307 -8.276 -8.132
362 HB1 ALA 43 HB1 ALA 43 2.637 -10.157 -6.916
363 HB2 ALA 43 HB2 ALA 43 3.532 -8.917 -7.797
364 HB3 ALA 43 HB3 ALA 43 3.279 -10.505 -8.522
365 H GLU 44 H GLU 44 2.697 -7.450 -9.874
366 HA GLU 44 HA GLU 44 1.664 -8.224 -12.486
367 HB2 GLU 44 HB2 GLU 44 3.767 -6.198 -11.666
368 HB3 GLU 44 HB3 GLU 44 3.151 -6.390 -13.309
369 HG2 GLU 44 HG2 GLU 44 0.853 -5.937 -12.477
370 HG3 GLU 44 HG3 GLU 44 1.509 -5.673 -10.862
371 H GLY 45 H GLY 45 4.698 -8.622 -10.715
372 HA2 GLY 45 HA2 GLY 45 5.629 -10.402 -12.924
373 HA3 GLY 45 HA3 GLY 45 6.733 -9.281 -12.130
374 H TYR 46 H TYR 46 6.120 -9.590 -9.467
375 HA TYR 46 HA TYR 46 6.788 -12.466 -9.033
376 HB2 TYR 46 HB2 TYR 46 8.658 -11.338 -8.258
377 HB3 TYR 46 HB3 TYR 46 7.717 -9.938 -7.743
378 HD1 TYR 46 HD2 TYR 46 7.880 -13.622 -7.006
379 HD2 TYR 46 HD1 TYR 46 7.449 -9.647 -5.454
380 HE1 TYR 46 HE2 TYR 46 7.787 -14.532 -4.701
381 HE2 TYR 46 HE1 TYR 46 7.340 -10.549 -3.155
382 HH TYR 46 HH TYR 46 8.387 -13.382 -2.245
383 H SER 47 H SER 47 5.145 -13.595 -8.201
384 HA SER 47 HA SER 47 2.837 -12.436 -6.996
385 HB2 SER 47 HB2 SER 47 3.929 -15.228 -6.532
386 HB3 SER 47 HB3 SER 47 2.263 -14.698 -6.318
387 HG SER 47 HG SER 47 2.705 -15.762 -8.350
388 H TYR 48 H TYR 48 2.333 -12.129 -4.818
389 HA TYR 48 HA TYR 48 4.376 -11.304 -3.064
390 HB2 TYR 48 HB2 TYR 48 1.573 -12.258 -2.444
391 HB3 TYR 48 HB3 TYR 48 2.620 -11.448 -1.290
392 HD1 TYR 48 HD2 TYR 48 1.012 -11.039 -4.633
393 HD2 TYR 48 HD1 TYR 48 2.843 -9.101 -1.266
394 HE1 TYR 48 HE2 TYR 48 0.363 -8.833 -5.546
395 HE2 TYR 48 HE1 TYR 48 2.193 -6.893 -2.186
396 HH TYR 48 HH TYR 48 -0.061 -6.528 -4.659
397 H THR 49 H THR 49 4.356 -12.393 -0.680
398 HA THR 49 HA THR 49 5.867 -14.794 -0.902
399 HB THR 49 HB THR 49 4.343 -13.842 1.541
400 HG1 THR 49 HG1 THR 49 6.555 -12.865 0.201
401 HG21 THR 49 HG21 THR 49 5.500 -16.159 1.436
402 HG22 THR 49 HG22 THR 49 5.883 -15.109 2.798
403 HG23 THR 49 HG23 THR 49 7.008 -15.246 1.446
404 H ASP 50 H ASP 50 5.280 -16.977 -0.508
405 HA ASP 50 HA ASP 50 2.836 -17.901 -1.491
406 HB2 ASP 50 HB2 ASP 50 4.698 -19.161 0.540
407 HB3 ASP 50 HB3 ASP 50 3.361 -20.017 -0.226
408 H ALA 51 H ALA 51 3.681 -17.057 1.863
409 HA ALA 51 HA ALA 51 1.241 -17.992 3.040
410 HB1 ALA 51 HB1 ALA 51 1.799 -16.396 4.884
411 HB2 ALA 51 HB2 ALA 51 3.097 -15.746 3.884
412 HB3 ALA 51 HB3 ALA 51 3.163 -17.420 4.434
413 H ASN 52 H ASN 52 2.203 -14.782 1.831
414 HA ASN 52 HA ASN 52 -0.276 -13.464 2.340
415 HB2 ASN 52 HB2 ASN 52 1.747 -12.222 1.733
416 HB3 ASN 52 HB3 ASN 52 1.764 -12.988 0.145
417 HD21 ASN 52 HD21 ASN 52 1.654 -10.394 -0.257
418 HD22 ASN 52 HD22 ASN 52 0.080 -9.818 -0.528
419 H ILE 53 H ILE 53 0.892 -15.267 -0.491
420 HA ILE 53 HA ILE 53 -1.373 -14.804 -2.153
421 HB ILE 53 HB ILE 53 0.484 -17.186 -2.063
422 HG12 ILE 53 HG12 ILE 53 0.511 -14.695 -3.795
423 HG13 ILE 53 HG13 ILE 53 1.574 -14.965 -2.414
424 HG21 ILE 53 HG21 ILE 53 -1.575 -17.707 -3.279
425 HG22 ILE 53 HG22 ILE 53 -0.248 -17.498 -4.422
426 HG23 ILE 53 HG23 ILE 53 -1.432 -16.209 -4.201
427 HD11 ILE 53 HD11 ILE 53 2.839 -15.640 -4.321
428 HD12 ILE 53 HD12 ILE 53 1.472 -16.511 -5.011
429 HD13 ILE 53 HD13 ILE 53 2.283 -17.138 -3.577
430 H LYS 54 H LYS 54 -0.761 -17.228 0.362
431 HA LYS 54 HA LYS 54 -2.963 -18.931 -0.133
432 HB2 LYS 54 HB2 LYS 54 -1.234 -19.375 1.593
433 HB3 LYS 54 HB3 LYS 54 -1.887 -18.053 2.556
434 HG2 LYS 54 HG2 LYS 54 -4.038 -19.189 2.734
435 HG3 LYS 54 HG3 LYS 54 -3.463 -20.489 1.690
436 HD2 LYS 54 HD2 LYS 54 -3.284 -21.224 4.000
437 HD3 LYS 54 HD3 LYS 54 -1.660 -20.967 3.363
438 HE2 LYS 54 HE2 LYS 54 -1.244 -19.255 4.793
439 HE3 LYS 54 HE3 LYS 54 -2.850 -18.560 4.571
440 HZ1 LYS 54 HZ1 LYS 54 -3.685 -20.447 5.976
441 HZ2 LYS 54 HZ2 LYS 54 -2.738 -19.293 6.789
442 HZ3 LYS 54 HZ3 LYS 54 -2.068 -20.792 6.355
443 H LYS 55 H LYS 55 -2.763 -15.873 1.634
444 HA LYS 55 HA LYS 55 -5.714 -15.842 1.945
445 HB2 LYS 55 HB2 LYS 55 -3.506 -14.081 3.048
446 HB3 LYS 55 HB3 LYS 55 -5.218 -13.802 3.335
447 HG2 LYS 55 HG2 LYS 55 -5.388 -16.092 4.318
448 HG3 LYS 55 HG3 LYS 55 -3.644 -16.267 4.122
449 HD2 LYS 55 HD2 LYS 55 -3.324 -14.233 5.539
450 HD3 LYS 55 HD3 LYS 55 -5.067 -14.187 5.809
451 HE2 LYS 55 HE2 LYS 55 -4.990 -16.416 6.830
452 HE3 LYS 55 HE3 LYS 55 -3.257 -16.517 6.515
453 HZ1 LYS 55 HZ1 LYS 55 -4.491 -14.366 8.140
454 HZ2 LYS 55 HZ2 LYS 55 -2.840 -14.738 7.991
455 HZ3 LYS 55 HZ3 LYS 55 -3.883 -15.801 8.810
456 H ASN 56 H ASN 56 -6.901 -14.702 0.463
457 HA ASN 56 HA ASN 56 -5.578 -12.433 -0.949
458 HB2 ASN 56 HB2 ASN 56 -7.055 -13.368 -2.967
459 HB3 ASN 56 HB3 ASN 56 -5.407 -13.928 -2.692
460 HD21 ASN 56 HD21 ASN 56 -6.218 -15.974 -3.812
461 HD22 ASN 56 HD22 ASN 56 -7.037 -17.130 -2.876
462 H VAL 57 H VAL 57 -6.816 -10.654 -0.754
463 HA VAL 57 HA VAL 57 -9.771 -10.978 -0.634
464 HB VAL 57 HB VAL 57 -8.109 -9.148 1.109
465 HG11 VAL 57 HG11 VAL 57 -10.015 -7.975 1.354
466 HG12 VAL 57 HG12 VAL 57 -10.767 -9.414 2.043
467 HG13 VAL 57 HG13 VAL 57 -10.881 -9.104 0.309
468 HG21 VAL 57 HG21 VAL 57 -9.112 -10.606 2.942
469 HG22 VAL 57 HG22 VAL 57 -7.898 -11.394 1.934
470 HG23 VAL 57 HG23 VAL 57 -9.611 -11.718 1.667
471 H LEU 58 H LEU 58 -10.921 -9.415 -1.774
472 HA LEU 58 HA LEU 58 -9.636 -7.957 -3.828
473 HB2 LEU 58 HB2 LEU 58 -12.044 -8.396 -3.880
474 HB3 LEU 58 HB3 LEU 58 -12.278 -7.370 -2.465
475 HG LEU 58 HG LEU 58 -11.384 -5.430 -3.746
476 HD11 LEU 58 HD11 LEU 58 -10.018 -6.078 -5.458
477 HD12 LEU 58 HD12 LEU 58 -11.522 -6.094 -6.379
478 HD13 LEU 58 HD13 LEU 58 -10.882 -7.593 -5.709
479 HD21 LEU 58 HD21 LEU 58 -13.366 -5.056 -5.015
480 HD22 LEU 58 HD22 LEU 58 -13.855 -6.143 -3.714
481 HD23 LEU 58 HD23 LEU 58 -13.576 -6.778 -5.336
482 H TRP 59 H TRP 59 -8.911 -5.819 -3.948
483 HA TRP 59 HA TRP 59 -8.432 -4.559 -1.313
484 HB2 TRP 59 HB2 TRP 59 -7.068 -4.444 -3.974
485 HB3 TRP 59 HB3 TRP 59 -6.836 -3.134 -2.818
486 HD1 TRP 59 HD1 TRP 59 -5.262 -6.218 -3.776
487 HE1 TRP 59 HE1 TRP 59 -3.859 -7.213 -1.855
488 HE3 TRP 59 HE3 TRP 59 -7.116 -3.544 0.170
489 HZ2 TRP 59 HZ2 TRP 59 -3.575 -6.926 0.971
490 HZ3 TRP 59 HZ3 TRP 59 -6.270 -3.937 2.460
491 HH2 TRP 59 HH2 TRP 59 -4.502 -5.630 2.868
492 H ASP 60 H ASP 60 -8.940 -2.399 -0.934
493 HA ASP 60 HA ASP 60 -10.336 -0.843 -3.014
494 HB2 ASP 60 HB2 ASP 60 -12.073 -2.291 -1.850
495 HB3 ASP 60 HB3 ASP 60 -11.693 -1.416 -0.365
496 H GLU 61 H GLU 61 -10.801 1.421 -2.114
497 HA GLU 61 HA GLU 61 -8.470 2.524 -0.956
498 HB2 GLU 61 HB2 GLU 61 -11.308 3.601 -0.896
499 HB3 GLU 61 HB3 GLU 61 -9.858 4.545 -0.551
500 HG2 GLU 61 HG2 GLU 61 -9.005 4.044 -2.824
501 HG3 GLU 61 HG3 GLU 61 -10.486 3.149 -3.169
502 H ASN 62 H ASN 62 -11.479 1.424 0.562
503 HA ASN 62 HA ASN 62 -10.652 2.276 3.225
504 HB2 ASN 62 HB2 ASN 62 -12.851 0.401 2.306
505 HB3 ASN 62 HB3 ASN 62 -12.634 0.951 3.967
506 HD21 ASN 62 HD21 ASN 62 -15.015 1.575 2.497
507 HD22 ASN 62 HD22 ASN 62 -15.046 3.254 2.219
508 H ASN 63 H ASN 63 -10.782 -0.848 1.493
509 HA ASN 63 HA ASN 63 -9.870 -2.443 3.674
510 HB2 ASN 63 HB2 ASN 63 -9.576 -2.841 0.685
511 HB3 ASN 63 HB3 ASN 63 -9.243 -4.078 1.895
512 HD21 ASN 63 HD21 ASN 63 -11.299 -4.450 -0.061
513 HD22 ASN 63 HD22 ASN 63 -12.804 -4.439 0.736
514 H MET 64 H MET 64 -8.066 -0.847 1.041
515 HA MET 64 HA MET 64 -5.501 -1.817 1.839
516 HB2 MET 64 HB2 MET 64 -6.329 0.665 0.325
517 HB3 MET 64 HB3 MET 64 -4.650 0.202 0.560
518 HG2 MET 64 HG2 MET 64 -5.386 -2.094 -0.412
519 HG3 MET 64 HG3 MET 64 -6.790 -1.215 -1.006
520 HE1 MET 64 HE1 MET 64 -2.821 -0.007 -0.766
521 HE2 MET 64 HE2 MET 64 -2.430 -0.995 -2.170
522 HE3 MET 64 HE3 MET 64 -3.191 -1.738 -0.766
523 H SER 65 H SER 65 -7.412 0.977 2.857
524 HA SER 65 HA SER 65 -5.430 2.389 4.288
525 HB2 SER 65 HB2 SER 65 -8.318 2.005 5.128
526 HB3 SER 65 HB3 SER 65 -7.261 3.335 5.586
527 HG SER 65 HG SER 65 -8.274 4.156 3.881
528 H GLU 66 H GLU 66 -7.376 -0.424 5.258
529 HA GLU 66 HA GLU 66 -6.483 -0.507 7.976
530 HB2 GLU 66 HB2 GLU 66 -7.391 -2.745 6.139
531 HB3 GLU 66 HB3 GLU 66 -7.206 -2.890 7.888
532 HG2 GLU 66 HG2 GLU 66 -9.029 -0.902 6.502
533 HG3 GLU 66 HG3 GLU 66 -9.560 -2.420 7.225
534 H TYR 67 H TYR 67 -5.168 -1.904 4.978
535 HA TYR 67 HA TYR 67 -3.113 -3.450 6.245
536 HB2 TYR 67 HB2 TYR 67 -3.799 -3.716 3.856
537 HB3 TYR 67 HB3 TYR 67 -3.013 -2.178 3.497
538 HD1 TYR 67 HD1 TYR 67 -2.469 -5.678 4.559
539 HD2 TYR 67 HD2 TYR 67 -0.597 -1.957 3.499
540 HE1 TYR 67 HE1 TYR 67 -0.276 -6.826 4.406
541 HE2 TYR 67 HE2 TYR 67 1.596 -3.108 3.345
542 HH TYR 67 HH TYR 67 1.976 -6.311 3.059
543 H LEU 68 H LEU 68 -3.133 -0.102 5.002
544 HA LEU 68 HA LEU 68 -0.408 0.479 5.349
545 HB2 LEU 68 HB2 LEU 68 -2.756 2.310 5.911
546 HB3 LEU 68 HB3 LEU 68 -1.103 2.823 5.590
547 HG LEU 68 HG LEU 68 -2.913 1.324 3.679
548 HD11 LEU 68 HD11 LEU 68 -2.245 3.544 2.368
549 HD12 LEU 68 HD12 LEU 68 -2.063 4.168 4.008
550 HD13 LEU 68 HD13 LEU 68 -3.612 3.515 3.481
551 HD21 LEU 68 HD21 LEU 68 0.011 1.964 3.667
552 HD22 LEU 68 HD22 LEU 68 -0.865 2.019 2.139
553 HD23 LEU 68 HD23 LEU 68 -0.818 0.525 3.075
554 H THR 69 H THR 69 -2.999 0.413 7.778
555 HA THR 69 HA THR 69 -1.577 1.557 9.933
556 HB THR 69 HB THR 69 -3.495 -0.785 10.099
557 HG1 THR 69 HG1 THR 69 -4.197 1.109 8.854
558 HG21 THR 69 HG21 THR 69 -4.008 0.148 12.297
559 HG22 THR 69 HG22 THR 69 -2.874 1.469 12.017
560 HG23 THR 69 HG23 THR 69 -2.281 -0.184 12.171
561 H ASN 70 H ASN 70 -1.619 -1.768 8.708
562 HA ASN 70 HA ASN 70 0.995 -2.231 10.026
563 HB2 ASN 70 HB2 ASN 70 -0.982 -3.081 11.475
564 HB3 ASN 70 HB3 ASN 70 -1.167 -4.323 10.240
565 HD21 ASN 70 HD21 ASN 70 -0.512 -5.871 12.029
566 HD22 ASN 70 HD22 ASN 70 1.146 -6.070 12.363
567 H HIS 71 H HIS 71 2.326 -3.455 8.701
568 HA HIS 71 HA HIS 71 1.560 -3.903 5.998
569 HB2 HIS 71 HB2 HIS 71 3.918 -4.388 7.654
570 HB3 HIS 71 HB3 HIS 71 3.682 -5.642 6.436
571 HD1 HIS 71 HD1 HIS 71 4.042 -1.873 6.733
572 HD2 HIS 71 HD2 HIS 71 4.252 -4.845 3.815
573 HE1 HIS 71 HE1 HIS 71 4.899 -0.751 4.625
574 H ALA 72 H ALA 72 -0.086 -5.324 8.198
575 HA ALA 72 HA ALA 72 -0.748 -7.648 6.674
576 HB1 ALA 72 HB1 ALA 72 0.290 -8.746 9.160
577 HB2 ALA 72 HB2 ALA 72 1.562 -7.984 8.209
578 HB3 ALA 72 HB3 ALA 72 0.584 -9.267 7.503
579 H LYS 73 H LYS 73 -2.007 -5.447 8.135
580 HA LYS 73 HA LYS 73 -3.154 -6.244 10.600
581 HB2 LYS 73 HB2 LYS 73 -3.317 -3.950 9.598
582 HB3 LYS 73 HB3 LYS 73 -4.483 -4.582 8.439
583 HG2 LYS 73 HG2 LYS 73 -5.849 -3.689 10.133
584 HG3 LYS 73 HG3 LYS 73 -5.789 -5.403 10.536
585 HD2 LYS 73 HD2 LYS 73 -4.111 -5.020 12.231
586 HD3 LYS 73 HD3 LYS 73 -3.913 -3.342 11.724
587 HE2 LYS 73 HE2 LYS 73 -6.563 -4.426 12.687
588 HE3 LYS 73 HE3 LYS 73 -5.371 -3.745 13.794
589 HZ1 LYS 73 HZ1 LYS 73 -5.713 -2.042 11.568
590 HZ2 LYS 73 HZ2 LYS 73 -5.980 -1.714 13.214
591 HZ3 LYS 73 HZ3 LYS 73 -7.224 -2.372 12.263
592 H TYR 74 H TYR 74 -4.311 -6.802 7.266
593 HA TYR 74 HA TYR 74 -6.332 -8.699 8.396
594 HB2 TYR 74 HB2 TYR 74 -6.289 -6.936 5.974
595 HB3 TYR 74 HB3 TYR 74 -7.219 -8.433 5.916
596 HD1 TYR 74 HD2 TYR 74 -6.639 -5.489 8.174
597 HD2 TYR 74 HD1 TYR 74 -9.409 -8.420 6.699
598 HE1 TYR 74 HE2 TYR 74 -8.464 -4.412 9.463
599 HE2 TYR 74 HE1 TYR 74 -11.235 -7.345 7.986
600 HH TYR 74 HH TYR 74 -11.797 -5.684 9.338
601 H ILE 75 H ILE 75 -3.323 -8.707 7.021
602 HA ILE 75 HA ILE 75 -3.775 -11.451 5.943
603 HB ILE 75 HB ILE 75 -1.898 -9.510 4.597
604 HG12 ILE 75 HG12 ILE 75 -4.872 -9.825 4.304
605 HG13 ILE 75 HG13 ILE 75 -3.899 -8.355 4.255
606 HG21 ILE 75 HG21 ILE 75 -1.869 -11.091 2.859
607 HG22 ILE 75 HG22 ILE 75 -3.383 -11.828 3.381
608 HG23 ILE 75 HG23 ILE 75 -1.906 -12.100 4.305
609 HD11 ILE 75 HD11 ILE 75 -4.208 -10.461 2.114
610 HD12 ILE 75 HD12 ILE 75 -2.866 -9.317 2.103
611 HD13 ILE 75 HD13 ILE 75 -4.524 -8.731 1.998
612 HA PRO 76 HA PRO 76 -0.353 -11.107 9.148
613 HB2 PRO 76 HB2 PRO 76 -1.377 -13.860 9.631
614 HB3 PRO 76 HB3 PRO 76 -0.980 -12.585 10.798
615 HG2 PRO 76 HG2 PRO 76 -3.508 -13.238 10.213
616 HG3 PRO 76 HG3 PRO 76 -3.024 -11.578 10.600
617 HD2 PRO 76 HD2 PRO 76 -3.737 -12.760 7.954
618 HD3 PRO 76 HD3 PRO 76 -3.938 -11.093 8.541
619 H GLY 77 H GLY 77 -1.258 -13.668 6.870
620 HA2 GLY 77 HA2 GLY 77 1.183 -15.116 6.864
621 HA3 GLY 77 HA3 GLY 77 0.099 -14.985 5.474
622 H THR 78 H THR 78 0.356 -11.977 5.684
623 HA THR 78 HA THR 78 2.531 -11.691 3.805
624 HB THR 78 HB THR 78 1.001 -9.529 5.271
625 HG1 THR 78 HG1 THR 78 0.107 -9.760 2.867
626 HG21 THR 78 HG21 THR 78 1.710 -8.074 3.520
627 HG22 THR 78 HG22 THR 78 2.311 -9.419 2.552
628 HG23 THR 78 HG23 THR 78 3.158 -8.945 4.024
629 H LYS 79 H LYS 79 4.536 -10.687 4.118
630 HA LYS 79 HA LYS 79 5.734 -11.011 6.728
631 HB2 LYS 79 HB2 LYS 79 6.794 -9.495 4.329
632 HB3 LYS 79 HB3 LYS 79 7.742 -10.110 5.680
633 HG2 LYS 79 HG2 LYS 79 7.062 -12.422 5.081
634 HG3 LYS 79 HG3 LYS 79 6.177 -11.783 3.693
635 HD2 LYS 79 HD2 LYS 79 8.351 -10.724 2.926
636 HD3 LYS 79 HD3 LYS 79 9.162 -11.655 4.186
637 HE2 LYS 79 HE2 LYS 79 7.479 -13.470 2.814
638 HE3 LYS 79 HE3 LYS 79 8.308 -12.526 1.575
639 HZ1 LYS 79 HZ1 LYS 79 10.210 -13.086 3.482
640 HZ2 LYS 79 HZ2 LYS 79 10.070 -13.793 1.944
641 HZ3 LYS 79 HZ3 LYS 79 9.348 -14.535 3.292
642 H MET 80 H MET 80 6.780 -9.238 7.942
643 HA MET 80 HA MET 80 5.295 -6.650 7.682
644 HB2 MET 80 HB2 MET 80 6.336 -8.029 10.176
645 HB3 MET 80 HB3 MET 80 5.619 -6.418 10.146
646 HG2 MET 80 HG2 MET 80 3.539 -7.397 9.187
647 HG3 MET 80 HG3 MET 80 4.253 -9.003 9.341
648 HE1 MET 80 HE1 MET 80 2.019 -9.704 11.982
649 HE2 MET 80 HE2 MET 80 2.178 -9.451 10.247
650 HE3 MET 80 HE3 MET 80 1.326 -8.262 11.229
651 H ALA 81 H ALA 81 6.560 -4.747 7.805
652 HA ALA 81 HA ALA 81 9.399 -4.958 8.529
653 HB1 ALA 81 HB1 ALA 81 8.909 -3.834 5.805
654 HB2 ALA 81 HB2 ALA 81 8.937 -5.588 5.983
655 HB3 ALA 81 HB3 ALA 81 10.344 -4.631 6.449
656 H PHE 82 H PHE 82 7.160 -2.781 6.736
657 HA PHE 82 HA PHE 82 8.429 -0.393 7.697
658 HB2 PHE 82 HB2 PHE 82 6.902 -0.531 5.696
659 HB3 PHE 82 HB3 PHE 82 5.548 -0.667 6.819
660 HD1 PHE 82 HD2 PHE 82 5.053 1.180 8.413
661 HD2 PHE 82 HD1 PHE 82 8.015 1.557 5.335
662 HE1 PHE 82 HE2 PHE 82 5.055 3.637 8.711
663 HE2 PHE 82 HE1 PHE 82 8.018 4.013 5.633
664 HZ PHE 82 HZ PHE 82 6.532 5.053 7.313
665 H GLY 83 H GLY 83 5.056 -1.268 8.470
666 HA2 GLY 83 HA2 GLY 83 3.823 -0.793 10.421
667 HA3 GLY 83 HA3 GLY 83 5.188 -1.563 11.231
668 H GLY 84 H GLY 84 4.073 1.595 9.972
669 HA2 GLY 84 HA2 GLY 84 5.287 2.897 12.309
670 HA3 GLY 84 HA3 GLY 84 6.021 3.333 10.768
671 H LEU 85 H LEU 85 3.223 2.980 9.492
672 HA LEU 85 HA LEU 85 2.480 5.760 9.688
673 HB2 LEU 85 HB2 LEU 85 0.866 3.458 8.561
674 HB3 LEU 85 HB3 LEU 85 0.662 5.169 8.198
675 HG LEU 85 HG LEU 85 3.057 3.444 7.521
676 HD11 LEU 85 HD11 LEU 85 1.104 3.221 6.034
677 HD12 LEU 85 HD12 LEU 85 2.434 4.035 5.211
678 HD13 LEU 85 HD13 LEU 85 1.067 4.972 5.820
679 HD21 LEU 85 HD21 LEU 85 3.717 5.661 6.309
680 HD22 LEU 85 HD22 LEU 85 4.034 5.527 8.036
681 HD23 LEU 85 HD23 LEU 85 2.632 6.428 7.469
682 H LYS 86 H LYS 86 2.454 4.608 12.283
683 HA LYS 86 HA LYS 86 -0.070 3.750 13.210
684 HB2 LYS 86 HB2 LYS 86 2.002 5.489 14.583
685 HB3 LYS 86 HB3 LYS 86 0.648 4.712 15.399
686 HG2 LYS 86 HG2 LYS 86 1.477 2.500 14.588
687 HG3 LYS 86 HG3 LYS 86 2.881 3.317 13.902
688 HD2 LYS 86 HD2 LYS 86 3.435 4.191 16.175
689 HD3 LYS 86 HD3 LYS 86 2.095 3.246 16.829
690 HE2 LYS 86 HE2 LYS 86 3.847 1.757 17.144
691 HE3 LYS 86 HE3 LYS 86 3.294 1.264 15.544
692 HZ1 LYS 86 HZ1 LYS 86 5.399 3.309 15.930
693 HZ2 LYS 86 HZ2 LYS 86 5.010 2.456 14.514
694 HZ3 LYS 86 HZ3 LYS 86 5.757 1.655 15.812
695 H LYS 87 H LYS 87 1.084 6.944 12.316
696 HA LYS 87 HA LYS 87 -1.222 8.329 13.463
697 HB2 LYS 87 HB2 LYS 87 0.892 9.241 11.487
698 HB3 LYS 87 HB3 LYS 87 -0.316 10.294 12.224
699 HG2 LYS 87 HG2 LYS 87 0.552 9.644 14.475
700 HG3 LYS 87 HG3 LYS 87 1.820 8.710 13.681
701 HD2 LYS 87 HD2 LYS 87 2.562 10.793 12.514
702 HD3 LYS 87 HD3 LYS 87 1.369 11.699 13.447
703 HE2 LYS 87 HE2 LYS 87 2.771 11.806 15.202
704 HE3 LYS 87 HE3 LYS 87 2.910 10.048 15.230
705 HZ1 LYS 87 HZ1 LYS 87 4.545 11.987 13.706
706 HZ2 LYS 87 HZ2 LYS 87 4.522 10.330 13.326
707 HZ3 LYS 87 HZ3 LYS 87 5.063 10.848 14.851
708 H GLU 88 H GLU 88 -3.143 8.689 12.456
709 HA GLU 88 HA GLU 88 -3.805 7.334 10.016
710 HB2 GLU 88 HB2 GLU 88 -5.260 9.518 11.514
711 HB3 GLU 88 HB3 GLU 88 -5.953 8.585 10.190
712 HG2 GLU 88 HG2 GLU 88 -5.551 6.499 11.481
713 HG3 GLU 88 HG3 GLU 88 -4.940 7.470 12.821
714 H LYS 89 H LYS 89 -2.618 10.551 10.691
715 HA LYS 89 HA LYS 89 -3.471 11.959 8.414
716 HB2 LYS 89 HB2 LYS 89 -2.106 12.863 10.344
717 HB3 LYS 89 HB3 LYS 89 -0.692 12.126 9.599
718 HG2 LYS 89 HG2 LYS 89 -1.122 13.426 7.528
719 HG3 LYS 89 HG3 LYS 89 -2.491 14.206 8.322
720 HD2 LYS 89 HD2 LYS 89 -0.920 15.020 10.102
721 HD3 LYS 89 HD3 LYS 89 0.418 14.366 9.157
722 HE2 LYS 89 HE2 LYS 89 -0.949 15.825 7.270
723 HE3 LYS 89 HE3 LYS 89 -1.169 16.805 8.719
724 HZ1 LYS 89 HZ1 LYS 89 1.265 16.625 9.075
725 HZ2 LYS 89 HZ2 LYS 89 0.840 17.475 7.666
726 HZ3 LYS 89 HZ3 LYS 89 1.397 15.874 7.560
727 H ASP 90 H ASP 90 -0.507 10.001 8.759
728 HA ASP 90 HA ASP 90 0.344 10.296 6.048
729 HB2 ASP 90 HB2 ASP 90 0.813 8.020 8.000
730 HB3 ASP 90 HB3 ASP 90 1.678 8.245 6.482
731 H ARG 91 H ARG 91 -1.646 7.826 7.637
732 HA ARG 91 HA ARG 91 -2.006 6.103 5.425
733 HB2 ARG 91 HB2 ARG 91 -2.714 5.574 7.739
734 HB3 ARG 91 HB3 ARG 91 -3.999 6.775 7.608
735 HG2 ARG 91 HG2 ARG 91 -5.031 5.534 5.782
736 HG3 ARG 91 HG3 ARG 91 -3.706 4.371 5.788
737 HD2 ARG 91 HD2 ARG 91 -5.509 3.377 7.033
738 HD3 ARG 91 HD3 ARG 91 -4.290 3.872 8.205
739 HE ARG 91 HE ARG 91 -6.115 6.023 7.907
740 HH11 ARG 91 HH21 ARG 91 -5.969 2.754 8.993
741 HH12 ARG 91 HH22 ARG 91 -7.223 2.950 10.172
742 HH21 ARG 91 HH11 ARG 91 -7.753 6.298 9.441
743 HH22 ARG 91 HH12 ARG 91 -8.232 4.957 10.426
744 H ASN 92 H ASN 92 -3.868 8.995 6.364
745 HA ASN 92 HA ASN 92 -5.786 8.726 4.230
746 HB2 ASN 92 HB2 ASN 92 -4.945 11.111 5.891
747 HB3 ASN 92 HB3 ASN 92 -6.299 11.119 4.768
748 HD21 ASN 92 HD21 ASN 92 -6.942 11.613 7.400
749 HD22 ASN 92 HD22 ASN 92 -7.699 10.263 8.099
750 H ASP 93 H ASP 93 -3.015 10.945 4.631
751 HA ASP 93 HA ASP 93 -3.182 12.035 1.995
752 HB2 ASP 93 HB2 ASP 93 -0.819 11.791 3.881
753 HB3 ASP 93 HB3 ASP 93 -0.823 12.764 2.410
754 H LEU 94 H LEU 94 -1.400 9.271 3.304
755 HA LEU 94 HA LEU 94 0.240 8.641 1.118
756 HB2 LEU 94 HB2 LEU 94 0.354 7.413 3.217
757 HB3 LEU 94 HB3 LEU 94 -1.268 6.781 2.973
758 HG LEU 94 HG LEU 94 -0.544 5.541 1.011
759 HD11 LEU 94 HD11 LEU 94 1.080 6.810 -0.070
760 HD12 LEU 94 HD12 LEU 94 2.073 5.560 0.681
761 HD13 LEU 94 HD13 LEU 94 1.952 7.156 1.423
762 HD21 LEU 94 HD21 LEU 94 0.059 4.887 3.551
763 HD22 LEU 94 HD22 LEU 94 1.694 4.962 2.893
764 HD23 LEU 94 HD23 LEU 94 0.509 3.863 2.186
765 H ILE 95 H ILE 95 -2.993 7.294 1.746
766 HA ILE 95 HA ILE 95 -3.226 6.080 -0.828
767 HB ILE 95 HB ILE 95 -5.358 6.905 1.152
768 HG12 ILE 95 HG12 ILE 95 -3.992 4.245 0.628
769 HG13 ILE 95 HG13 ILE 95 -3.630 5.314 1.982
770 HG21 ILE 95 HG21 ILE 95 -6.188 4.700 -0.352
771 HG22 ILE 95 HG22 ILE 95 -5.470 5.798 -1.530
772 HG23 ILE 95 HG23 ILE 95 -6.786 6.353 -0.497
773 HD11 ILE 95 HD11 ILE 95 -6.500 4.678 1.665
774 HD12 ILE 95 HD12 ILE 95 -5.512 4.727 3.122
775 HD13 ILE 95 HD13 ILE 95 -5.482 3.302 2.085
776 H THR 96 H THR 96 -4.002 9.302 0.354
777 HA THR 96 HA THR 96 -5.774 10.190 -1.614
778 HB THR 96 HB THR 96 -3.424 11.777 -0.549
779 HG1 THR 96 HG1 THR 96 -4.819 12.273 1.161
780 HG21 THR 96 HG21 THR 96 -6.210 12.680 -1.273
781 HG22 THR 96 HG22 THR 96 -4.867 12.711 -2.415
782 HG23 THR 96 HG23 THR 96 -4.801 13.688 -0.949
783 H TYR 97 H TYR 97 -2.235 9.911 -1.775
784 HA TYR 97 HA TYR 97 -2.097 10.931 -4.491
785 HB2 TYR 97 HB2 TYR 97 -0.159 11.156 -3.054
786 HB3 TYR 97 HB3 TYR 97 -0.105 9.413 -2.791
787 HD1 TYR 97 HD2 TYR 97 0.201 12.050 -5.415
788 HD2 TYR 97 HD1 TYR 97 0.977 7.976 -4.313
789 HE1 TYR 97 HE2 TYR 97 1.596 11.766 -7.447
790 HE2 TYR 97 HE1 TYR 97 2.366 7.686 -6.340
791 HH TYR 97 HH TYR 97 2.472 8.834 -8.677
792 H LEU 98 H LEU 98 -1.949 7.687 -3.023
793 HA LEU 98 HA LEU 98 -1.550 6.233 -5.439
794 HB2 LEU 98 HB2 LEU 98 -3.092 5.362 -2.978
795 HB3 LEU 98 HB3 LEU 98 -2.400 4.298 -4.199
796 HG LEU 98 HG LEU 98 -0.772 6.235 -2.528
797 HD11 LEU 98 HD11 LEU 98 -1.445 4.649 -0.943
798 HD12 LEU 98 HD12 LEU 98 0.033 3.922 -1.572
799 HD13 LEU 98 HD13 LEU 98 -1.537 3.353 -2.136
800 HD21 LEU 98 HD21 LEU 98 0.459 5.778 -4.473
801 HD22 LEU 98 HD22 LEU 98 -0.160 4.132 -4.594
802 HD23 LEU 98 HD23 LEU 98 1.031 4.539 -3.358
803 H LYS 99 H LYS 99 -4.539 7.228 -3.795
804 HA LYS 99 HA LYS 99 -6.358 5.960 -5.577
805 HB2 LYS 99 HB2 LYS 99 -7.038 6.938 -3.418
806 HB3 LYS 99 HB3 LYS 99 -6.715 8.546 -4.055
807 HG2 LYS 99 HG2 LYS 99 -8.404 8.163 -5.836
808 HG3 LYS 99 HG3 LYS 99 -8.755 6.584 -5.135
809 HD2 LYS 99 HD2 LYS 99 -9.369 7.708 -2.995
810 HD3 LYS 99 HD3 LYS 99 -9.107 9.269 -3.771
811 HE2 LYS 99 HE2 LYS 99 -10.825 7.591 -5.397
812 HE3 LYS 99 HE3 LYS 99 -11.485 7.777 -3.772
813 HZ1 LYS 99 HZ1 LYS 99 -11.373 9.668 -5.871
814 HZ2 LYS 99 HZ2 LYS 99 -10.539 10.264 -4.516
815 HZ3 LYS 99 HZ3 LYS 99 -12.162 9.781 -4.375
816 H LYS 100 H LYS 100 -4.734 9.100 -5.739
817 HA LYS 100 HA LYS 100 -6.130 10.182 -7.966
818 HB2 LYS 100 HB2 LYS 100 -4.401 11.348 -6.514
819 HB3 LYS 100 HB3 LYS 100 -3.167 10.494 -7.432
820 HG2 LYS 100 HG2 LYS 100 -4.065 11.475 -9.528
821 HG3 LYS 100 HG3 LYS 100 -5.244 12.382 -8.579
822 HD2 LYS 100 HD2 LYS 100 -3.340 13.433 -7.327
823 HD3 LYS 100 HD3 LYS 100 -2.226 12.628 -8.433
824 HE2 LYS 100 HE2 LYS 100 -3.981 13.799 -10.184
825 HE3 LYS 100 HE3 LYS 100 -3.940 14.985 -8.879
826 HZ1 LYS 100 HZ1 LYS 100 -2.124 14.839 -10.836
827 HZ2 LYS 100 HZ2 LYS 100 -1.365 13.907 -9.635
828 HZ3 LYS 100 HZ3 LYS 100 -1.821 15.511 -9.309
829 H ALA 101 H ALA 101 -3.290 8.084 -7.805
830 HA ALA 101 HA ALA 101 -2.908 7.922 -10.665
831 HB1 ALA 101 HB1 ALA 101 -2.028 5.571 -9.155
832 HB2 ALA 101 HB2 ALA 101 -1.487 7.082 -8.425
833 HB3 ALA 101 HB3 ALA 101 -1.073 6.715 -10.099
834 H THR 102 H THR 102 -4.416 5.760 -8.267
835 HA THR 102 HA THR 102 -5.333 3.814 -10.156
836 HB THR 102 HB THR 102 -6.628 4.596 -7.524
837 HG1 THR 102 HG1 THR 102 -4.743 2.543 -7.958
838 HG21 THR 102 HG21 THR 102 -7.500 2.330 -7.541
839 HG22 THR 102 HG22 THR 102 -6.610 1.961 -9.019
840 HG23 THR 102 HG23 THR 102 -7.943 3.115 -9.057
841 H GLU 103 H GLU 103 -6.553 6.922 -9.087
842 HA GLU 103 HA GLU 103 -9.206 6.641 -10.200
843 HB2 GLU 103 HB2 GLU 103 -8.563 8.368 -8.504
844 HB3 GLU 103 HB3 GLU 103 -7.620 9.187 -9.749
845 HG2 GLU 103 HG2 GLU 103 -9.686 9.388 -11.132
846 HG3 GLU 103 HG3 GLU 103 -10.607 8.670 -9.809
847 HHA HEC 104 HA HEC 104 2.874 -6.233 0.860
848 HHB HEC 104 HB HEC 104 1.575 -0.013 1.068
849 HHC HEC 104 HC HEC 104 7.572 1.171 2.670
850 HHD HEC 104 HD HEC 104 8.901 -4.982 2.232
851 HMA1 HEC 104 1HMA HEC 104 -0.326 -1.066 0.888
852 HMA2 HEC 104 2HMA HEC 104 -1.029 -2.639 0.573
853 HMA3 HEC 104 3HMA HEC 104 -0.186 -1.784 -0.715
854 HAA1 HEC 104 1HAA HEC 104 0.769 -6.016 0.561
855 HAA2 HEC 104 2HAA HEC 104 -0.271 -5.060 1.591
856 HBA1 HEC 104 1HBA HEC 104 -0.372 -4.055 -1.112
857 HBA2 HEC 104 2HBA HEC 104 -1.678 -4.685 -0.109
858 HMB1 HEC 104 1HMB HEC 104 2.055 2.263 2.748
859 HMB2 HEC 104 2HMB HEC 104 2.947 3.418 1.762
860 HMB3 HEC 104 3HMB HEC 104 1.887 2.237 0.993
861 HAB HEC 104 HAB HEC 104 6.656 3.037 2.205
862 HBB1 HEC 104 1HBB HEC 104 4.285 3.341 3.772
863 HBB2 HEC 104 2HBB HEC 104 4.548 4.816 2.840
864 HBB3 HEC 104 3HBB HEC 104 5.814 4.211 3.911
865 HMC1 HEC 104 1HMC HEC 104 10.940 -0.369 3.413
866 HMC2 HEC 104 2HMC HEC 104 9.969 0.872 2.620
867 HMC3 HEC 104 3HMC HEC 104 9.556 0.329 4.245
868 HAC HEC 104 HAC HEC 104 10.716 -3.852 1.988
869 HBC1 HEC 104 1HBC HEC 104 11.638 -3.988 4.045
870 HBC2 HEC 104 2HBC HEC 104 12.443 -2.460 3.689
871 HBC3 HEC 104 3HBC HEC 104 10.897 -2.466 4.540
872 HMD1 HEC 104 1HMD HEC 104 8.414 -7.716 1.237
873 HMD2 HEC 104 2HMD HEC 104 7.337 -8.345 2.474
874 HMD3 HEC 104 3HMD HEC 104 8.411 -7.026 2.857
875 HAD1 HEC 104 1HAD HEC 104 4.364 -7.868 -0.095
876 HAD2 HEC 104 2HAD HEC 104 4.043 -8.314 1.565
877 HBD1 HEC 104 1HBD HEC 104 5.901 -9.712 1.684
878 HBD2 HEC 104 2HBD HEC 104 6.722 -8.904 0.342
Start of MODEL 15
1 H1 THR -5 H1 THR -5 -17.232 5.699 -0.448
2 H2 THR -5 H2 THR -5 -17.607 4.122 -0.955
3 H3 THR -5 H3 THR -5 -17.219 5.316 -2.099
4 HA THR -5 HA THR -5 -15.467 3.762 -0.354
5 HB THR -5 HB THR -5 -14.022 3.897 -2.356
6 HG1 THR -5 HG1 THR -5 -14.957 4.933 -4.207
7 HG21 THR -5 HG21 THR -5 -16.887 3.242 -3.094
8 HG22 THR -5 HG22 THR -5 -15.828 2.171 -2.175
9 HG23 THR -5 HG23 THR -5 -15.428 2.589 -3.840
10 H GLU -4 H GLU -4 -16.242 7.047 -0.982
11 HA GLU -4 HA GLU -4 -13.707 8.299 -0.742
12 HB2 GLU -4 HB2 GLU -4 -16.407 9.253 0.264
13 HB3 GLU -4 HB3 GLU -4 -14.978 10.269 0.076
14 HG2 GLU -4 HG2 GLU -4 -14.921 9.703 -2.344
15 HG3 GLU -4 HG3 GLU -4 -16.400 8.763 -2.139
16 H PHE -3 H PHE -3 -12.498 8.952 1.063
17 HA PHE -3 HA PHE -3 -13.482 8.079 3.732
18 HB2 PHE -3 HB2 PHE -3 -11.328 7.081 4.261
19 HB3 PHE -3 HB3 PHE -3 -11.936 6.350 2.776
20 HD1 PHE -3 HD2 PHE -3 -11.096 7.228 0.540
21 HD2 PHE -3 HD1 PHE -3 -9.279 8.269 4.289
22 HE1 PHE -3 HE2 PHE -3 -9.052 7.966 -0.655
23 HE2 PHE -3 HE1 PHE -3 -7.235 9.009 3.095
24 HZ PHE -3 HZ PHE -3 -7.121 8.856 0.623
25 H LYS -2 H LYS -2 -12.171 9.127 5.515
26 HA LYS -2 HA LYS -2 -11.999 11.948 5.094
27 HB2 LYS -2 HB2 LYS -2 -12.387 10.836 7.311
28 HB3 LYS -2 HB3 LYS -2 -10.699 10.330 7.308
29 HG2 LYS -2 HG2 LYS -2 -10.648 12.317 8.563
30 HG3 LYS -2 HG3 LYS -2 -10.180 12.860 6.954
31 HD2 LYS -2 HD2 LYS -2 -12.415 13.662 6.496
32 HD3 LYS -2 HD3 LYS -2 -13.030 12.932 7.978
33 HE2 LYS -2 HE2 LYS -2 -12.638 15.384 8.212
34 HE3 LYS -2 HE3 LYS -2 -11.660 14.433 9.330
35 HZ1 LYS -2 HZ1 LYS -2 -10.320 16.117 8.273
36 HZ2 LYS -2 HZ2 LYS -2 -10.761 15.556 6.732
37 HZ3 LYS -2 HZ3 LYS -2 -9.815 14.584 7.753
38 H ALA -1 H ALA -1 -10.304 13.227 4.461
39 HA ALA -1 HA ALA -1 -7.587 12.029 4.379
40 HB1 ALA -1 HB1 ALA -1 -8.661 13.646 2.069
41 HB2 ALA -1 HB2 ALA -1 -8.821 11.891 2.122
42 HB3 ALA -1 HB3 ALA -1 -7.220 12.630 2.117
43 H GLY 1 H GLY 1 -6.520 14.345 2.956
44 HA2 GLY 1 HA2 GLY 1 -7.250 16.767 4.353
45 HA3 GLY 1 HA3 GLY 1 -5.817 16.031 5.074
46 H SER 2 H SER 2 -4.168 15.293 3.264
47 HA SER 2 HA SER 2 -4.092 17.276 1.065
48 HB2 SER 2 HB2 SER 2 -1.800 17.889 1.571
49 HB3 SER 2 HB3 SER 2 -2.769 18.147 3.018
50 HG SER 2 HG SER 2 -2.080 15.791 3.393
51 H ALA 3 H ALA 3 -2.543 16.628 -0.643
52 HA ALA 3 HA ALA 3 -1.976 13.695 -0.594
53 HB1 ALA 3 HB1 ALA 3 -2.900 13.420 -2.667
54 HB2 ALA 3 HB2 ALA 3 -2.385 15.014 -3.217
55 HB3 ALA 3 HB3 ALA 3 -3.823 14.852 -2.209
56 H LYS 4 H LYS 4 -0.849 16.905 -1.347
57 HA LYS 4 HA LYS 4 1.377 16.266 -2.993
58 HB2 LYS 4 HB2 LYS 4 1.574 18.408 -0.891
59 HB3 LYS 4 HB3 LYS 4 2.132 18.434 -2.563
60 HG2 LYS 4 HG2 LYS 4 0.243 19.737 -2.796
61 HG3 LYS 4 HG3 LYS 4 -0.474 18.149 -3.057
62 HD2 LYS 4 HD2 LYS 4 -0.605 18.298 -0.340
63 HD3 LYS 4 HD3 LYS 4 -0.770 20.001 -0.762
64 HE2 LYS 4 HE2 LYS 4 -2.436 17.777 -1.974
65 HE3 LYS 4 HE3 LYS 4 -2.963 18.798 -0.637
66 HZ1 LYS 4 HZ1 LYS 4 -3.694 20.179 -2.200
67 HZ2 LYS 4 HZ2 LYS 4 -2.845 19.381 -3.438
68 HZ3 LYS 4 HZ3 LYS 4 -2.070 20.568 -2.500
69 H LYS 5 H LYS 5 1.248 16.634 0.573
70 HA LYS 5 HA LYS 5 3.949 15.796 1.002
71 HB2 LYS 5 HB2 LYS 5 1.539 15.687 2.821
72 HB3 LYS 5 HB3 LYS 5 3.198 15.427 3.347
73 HG2 LYS 5 HG2 LYS 5 3.784 17.697 2.482
74 HG3 LYS 5 HG3 LYS 5 2.080 17.954 2.105
75 HD2 LYS 5 HD2 LYS 5 1.529 17.543 4.508
76 HD3 LYS 5 HD3 LYS 5 3.257 17.433 4.851
77 HE2 LYS 5 HE2 LYS 5 3.087 19.792 3.430
78 HE3 LYS 5 HE3 LYS 5 1.595 19.808 4.371
79 HZ1 LYS 5 HZ1 LYS 5 4.374 19.851 5.285
80 HZ2 LYS 5 HZ2 LYS 5 3.234 19.049 6.255
81 HZ3 LYS 5 HZ3 LYS 5 3.026 20.692 5.879
82 H GLY 6 H GLY 6 0.873 14.030 0.983
83 HA2 GLY 6 HA2 GLY 6 1.925 11.498 1.781
84 HA3 GLY 6 HA3 GLY 6 0.436 11.727 0.867
85 H ALA 7 H ALA 7 1.682 13.067 -1.379
86 HA ALA 7 HA ALA 7 2.348 10.800 -2.971
87 HB1 ALA 7 HB1 ALA 7 3.227 13.616 -3.613
88 HB2 ALA 7 HB2 ALA 7 1.537 13.126 -3.734
89 HB3 ALA 7 HB3 ALA 7 2.758 12.336 -4.732
90 H THR 8 H THR 8 4.419 13.243 -1.416
91 HA THR 8 HA THR 8 6.866 12.083 -2.434
92 HB THR 8 HB THR 8 7.981 13.615 -0.939
93 HG1 THR 8 HG1 THR 8 7.080 14.294 0.844
94 HG21 THR 8 HG21 THR 8 6.935 14.624 -2.910
95 HG22 THR 8 HG22 THR 8 6.854 15.738 -1.545
96 HG23 THR 8 HG23 THR 8 5.423 14.821 -2.023
97 H LEU 9 H LEU 9 4.894 11.611 0.448
98 HA LEU 9 HA LEU 9 6.747 10.238 2.080
99 HB2 LEU 9 HB2 LEU 9 4.398 10.906 2.721
100 HB3 LEU 9 HB3 LEU 9 3.809 9.559 1.748
101 HG LEU 9 HG LEU 9 5.427 8.105 3.161
102 HD11 LEU 9 HD11 LEU 9 5.032 9.887 5.444
103 HD12 LEU 9 HD12 LEU 9 6.075 10.604 4.216
104 HD13 LEU 9 HD13 LEU 9 6.490 9.044 4.923
105 HD21 LEU 9 HD21 LEU 9 2.995 9.373 4.461
106 HD22 LEU 9 HD22 LEU 9 3.694 7.808 4.877
107 HD23 LEU 9 HD23 LEU 9 2.948 8.049 3.298
108 H PHE 10 H PHE 10 4.627 9.009 -0.493
109 HA PHE 10 HA PHE 10 5.443 6.270 -0.277
110 HB2 PHE 10 HB2 PHE 10 3.415 6.938 -1.508
111 HB3 PHE 10 HB3 PHE 10 4.406 7.806 -2.681
112 HD1 PHE 10 HD1 PHE 10 6.139 6.483 -4.029
113 HD2 PHE 10 HD2 PHE 10 3.021 4.607 -1.741
114 HE1 PHE 10 HE1 PHE 10 6.438 4.398 -5.332
115 HE2 PHE 10 HE2 PHE 10 3.323 2.518 -3.047
116 HZ PHE 10 HZ PHE 10 5.035 2.413 -4.846
117 H LYS 11 H LYS 11 6.569 8.954 -2.314
118 HA LYS 11 HA LYS 11 8.464 7.479 -3.799
119 HB2 LYS 11 HB2 LYS 11 8.478 10.398 -3.001
120 HB3 LYS 11 HB3 LYS 11 9.522 9.692 -4.232
121 HG2 LYS 11 HG2 LYS 11 7.478 8.926 -5.457
122 HG3 LYS 11 HG3 LYS 11 6.497 9.789 -4.272
123 HD2 LYS 11 HD2 LYS 11 7.706 11.893 -4.863
124 HD3 LYS 11 HD3 LYS 11 8.560 11.008 -6.128
125 HE2 LYS 11 HE2 LYS 11 6.832 11.574 -7.474
126 HE3 LYS 11 HE3 LYS 11 5.909 10.355 -6.597
127 HZ1 LYS 11 HZ1 LYS 11 4.659 11.925 -5.696
128 HZ2 LYS 11 HZ2 LYS 11 5.429 13.073 -6.684
129 HZ3 LYS 11 HZ3 LYS 11 6.015 12.766 -5.119
130 H THR 12 H THR 12 8.772 9.087 -0.654
131 HA THR 12 HA THR 12 11.627 8.326 -0.547
132 HB THR 12 HB THR 12 11.683 9.709 1.472
133 HG1 THR 12 HG1 THR 12 9.095 10.584 1.144
134 HG21 THR 12 HG21 THR 12 10.180 11.637 -0.006
135 HG22 THR 12 HG22 THR 12 11.020 10.592 -1.152
136 HG23 THR 12 HG23 THR 12 11.932 11.456 0.086
137 H ARG 13 H ARG 13 8.914 6.624 0.013
138 HA ARG 13 HA ARG 13 10.187 5.191 2.307
139 HB2 ARG 13 HB2 ARG 13 7.225 5.740 2.010
140 HB3 ARG 13 HB3 ARG 13 7.986 4.836 3.315
141 HG2 ARG 13 HG2 ARG 13 8.683 7.716 2.690
142 HG3 ARG 13 HG3 ARG 13 7.435 7.263 3.848
143 HD2 ARG 13 HD2 ARG 13 9.208 5.845 5.013
144 HD3 ARG 13 HD3 ARG 13 10.395 6.654 3.990
145 HE ARG 13 HE ARG 13 8.938 8.727 5.140
146 HH11 ARG 13 HH21 ARG 13 10.746 5.989 6.198
147 HH12 ARG 13 HH22 ARG 13 11.250 6.728 7.681
148 HH21 ARG 13 HH11 ARG 13 9.586 9.708 7.070
149 HH22 ARG 13 HH12 ARG 13 10.594 8.834 8.174
150 H CYS 14 H CYS 14 7.244 4.711 0.331
151 HA CYS 14 HA CYS 14 7.659 1.867 0.215
152 HB2 CYS 14 HB2 CYS 14 6.027 3.241 -1.857
153 HB3 CYS 14 HB3 CYS 14 5.669 1.778 -0.949
154 H LEU 15 H LEU 15 8.723 4.505 -1.831
155 HA LEU 15 HA LEU 15 9.241 3.123 -4.229
156 HB2 LEU 15 HB2 LEU 15 9.542 5.559 -3.927
157 HB3 LEU 15 HB3 LEU 15 10.982 5.251 -2.963
158 HG LEU 15 HG LEU 15 11.934 4.002 -4.944
159 HD11 LEU 15 HD11 LEU 15 10.141 3.408 -6.311
160 HD12 LEU 15 HD12 LEU 15 10.753 4.834 -7.149
161 HD13 LEU 15 HD13 LEU 15 9.337 4.964 -6.107
162 HD21 LEU 15 HD21 LEU 15 12.531 6.357 -4.438
163 HD22 LEU 15 HD22 LEU 15 11.177 6.901 -5.430
164 HD23 LEU 15 HD23 LEU 15 12.527 6.045 -6.175
165 H GLN 16 H GLN 16 11.117 3.182 -1.228
166 HA GLN 16 HA GLN 16 13.479 1.953 -2.178
167 HB2 GLN 16 HB2 GLN 16 12.119 1.690 0.518
168 HB3 GLN 16 HB3 GLN 16 13.768 1.164 0.176
169 HG2 GLN 16 HG2 GLN 16 14.392 3.456 -0.449
170 HG3 GLN 16 HG3 GLN 16 12.737 3.997 -0.156
171 HE21 GLN 16 HE21 GLN 16 14.930 5.105 1.316
172 HE22 GLN 16 HE22 GLN 16 14.788 4.617 2.935
173 H CYS 17 H CYS 17 10.395 0.474 -1.181
174 HA CYS 17 HA CYS 17 11.517 -2.172 -2.021
175 HB2 CYS 17 HB2 CYS 17 9.199 -1.538 -0.190
176 HB3 CYS 17 HB3 CYS 17 9.702 -3.161 -0.648
177 H HIS 18 H HIS 18 8.564 -0.174 -2.220
178 HA HIS 18 HA HIS 18 7.592 -1.937 -4.408
179 HB2 HIS 18 HB2 HIS 18 6.240 0.410 -3.056
180 HB3 HIS 18 HB3 HIS 18 5.499 -0.658 -4.242
181 HD1 HIS 18 HD1 HIS 18 5.478 -3.315 -3.463
182 HD2 HIS 18 HD2 HIS 18 5.941 -0.442 -0.480
183 HE1 HIS 18 HE1 HIS 18 4.776 -4.416 -1.280
184 H THR 19 H THR 19 7.066 -1.109 -6.462
185 HA THR 19 HA THR 19 8.031 1.652 -7.061
186 HB THR 19 HB THR 19 8.394 -0.697 -8.909
187 HG1 THR 19 HG1 THR 19 10.337 -0.998 -8.074
188 HG21 THR 19 HG21 THR 19 8.305 1.681 -9.797
189 HG22 THR 19 HG22 THR 19 9.777 0.787 -10.176
190 HG23 THR 19 HG23 THR 19 9.781 1.984 -8.881
191 H VAL 20 H VAL 20 6.412 2.800 -8.030
192 HA VAL 20 HA VAL 20 3.936 1.450 -8.806
193 HB VAL 20 HB VAL 20 3.143 3.727 -9.308
194 HG11 VAL 20 HG11 VAL 20 3.202 2.959 -6.950
195 HG12 VAL 20 HG12 VAL 20 3.459 4.699 -7.071
196 HG13 VAL 20 HG13 VAL 20 4.827 3.623 -6.790
197 HG21 VAL 20 HG21 VAL 20 5.154 5.435 -8.533
198 HG22 VAL 20 HG22 VAL 20 4.750 5.067 -10.210
199 HG23 VAL 20 HG23 VAL 20 6.054 4.192 -9.405
200 H GLU 21 H GLU 21 6.821 2.557 -10.387
201 HA GLU 21 HA GLU 21 5.928 3.052 -13.009
202 HB2 GLU 21 HB2 GLU 21 8.476 1.664 -12.125
203 HB3 GLU 21 HB3 GLU 21 8.195 2.346 -13.727
204 HG2 GLU 21 HG2 GLU 21 7.823 4.573 -12.693
205 HG3 GLU 21 HG3 GLU 21 8.183 3.879 -11.112
206 H LYS 22 H LYS 22 5.555 1.721 -14.808
207 HA LYS 22 HA LYS 22 4.411 -0.862 -14.283
208 HB2 LYS 22 HB2 LYS 22 3.803 0.644 -16.213
209 HB3 LYS 22 HB3 LYS 22 5.345 0.219 -16.956
210 HG2 LYS 22 HG2 LYS 22 4.699 -2.178 -16.883
211 HG3 LYS 22 HG3 LYS 22 3.136 -1.719 -16.206
212 HD2 LYS 22 HD2 LYS 22 2.734 -0.303 -18.234
213 HD3 LYS 22 HD3 LYS 22 4.232 -0.931 -18.921
214 HE2 LYS 22 HE2 LYS 22 2.699 -2.417 -19.832
215 HE3 LYS 22 HE3 LYS 22 3.133 -3.272 -18.352
216 HZ1 LYS 22 HZ1 LYS 22 1.207 -2.001 -17.317
217 HZ2 LYS 22 HZ2 LYS 22 0.821 -3.275 -18.371
218 HZ3 LYS 22 HZ3 LYS 22 0.717 -1.665 -18.905
219 H GLY 23 H GLY 23 5.361 -2.860 -14.309
220 HA2 GLY 23 HA2 GLY 23 7.232 -4.143 -15.624
221 HA3 GLY 23 HA3 GLY 23 8.287 -2.951 -14.862
222 H GLY 24 H GLY 24 9.170 -3.586 -12.950
223 HA2 GLY 24 HA2 GLY 24 8.061 -4.485 -10.662
224 HA3 GLY 24 HA3 GLY 24 8.056 -5.967 -11.614
225 HA PRO 25 HA PRO 25 12.773 -4.827 -11.358
226 HB2 PRO 25 HB2 PRO 25 13.278 -2.761 -9.539
227 HB3 PRO 25 HB3 PRO 25 13.285 -2.601 -11.305
228 HG2 PRO 25 HG2 PRO 25 11.175 -1.888 -9.348
229 HG3 PRO 25 HG3 PRO 25 11.624 -1.099 -10.868
230 HD2 PRO 25 HD2 PRO 25 9.406 -2.645 -10.663
231 HD3 PRO 25 HD3 PRO 25 10.358 -2.559 -12.162
232 H HIS 26 H HIS 26 10.589 -4.531 -8.639
233 HA HIS 26 HA HIS 26 10.700 -5.374 -6.448
234 HB2 HIS 26 HB2 HIS 26 12.154 -7.619 -7.878
235 HB3 HIS 26 HB3 HIS 26 11.258 -7.741 -6.367
236 HD1 HIS 26 HD1 HIS 26 8.685 -6.296 -6.984
237 HD2 HIS 26 HD2 HIS 26 10.516 -8.856 -9.713
238 HE1 HIS 26 HE1 HIS 26 6.872 -7.043 -8.591
239 HE2 HIS 26 HE2 HIS 26 7.978 -8.598 -10.262
240 H LYS 27 H LYS 27 12.558 -3.502 -6.464
241 HA LYS 27 HA LYS 27 15.287 -4.205 -6.268
242 HB2 LYS 27 HB2 LYS 27 14.448 -1.869 -6.269
243 HB3 LYS 27 HB3 LYS 27 13.804 -2.114 -4.644
244 HG2 LYS 27 HG2 LYS 27 16.086 -2.630 -3.832
245 HG3 LYS 27 HG3 LYS 27 16.719 -2.327 -5.450
246 HD2 LYS 27 HD2 LYS 27 15.761 -0.010 -5.326
247 HD3 LYS 27 HD3 LYS 27 15.320 -0.331 -3.649
248 HE2 LYS 27 HE2 LYS 27 18.150 -0.739 -4.600
249 HE3 LYS 27 HE3 LYS 27 17.584 0.857 -4.108
250 HZ1 LYS 27 HZ1 LYS 27 16.710 -0.496 -2.062
251 HZ2 LYS 27 HZ2 LYS 27 18.318 0.049 -2.125
252 HZ3 LYS 27 HZ3 LYS 27 17.949 -1.566 -2.502
253 H VAL 28 H VAL 28 12.752 -4.265 -3.772
254 HA VAL 28 HA VAL 28 14.556 -6.001 -2.140
255 HB VAL 28 HB VAL 28 12.600 -4.085 -0.897
256 HG11 VAL 28 HG11 VAL 28 15.169 -5.350 0.100
257 HG12 VAL 28 HG12 VAL 28 13.550 -5.962 0.440
258 HG13 VAL 28 HG13 VAL 28 14.043 -4.383 1.053
259 HG21 VAL 28 HG21 VAL 28 14.533 -2.539 -0.566
260 HG22 VAL 28 HG22 VAL 28 14.095 -2.715 -2.265
261 HG23 VAL 28 HG23 VAL 28 15.500 -3.567 -1.624
262 H GLY 29 H GLY 29 11.162 -4.880 -2.331
263 HA2 GLY 29 HA2 GLY 29 10.328 -7.736 -1.984
264 HA3 GLY 29 HA3 GLY 29 9.465 -6.407 -1.207
265 HA PRO 30 HA PRO 30 7.681 -7.708 -5.485
266 HB2 PRO 30 HB2 PRO 30 5.172 -7.305 -4.018
267 HB3 PRO 30 HB3 PRO 30 5.704 -8.701 -4.967
268 HG2 PRO 30 HG2 PRO 30 5.626 -8.459 -2.158
269 HG3 PRO 30 HG3 PRO 30 6.281 -9.794 -3.110
270 HD2 PRO 30 HD2 PRO 30 7.746 -7.956 -1.504
271 HD3 PRO 30 HD3 PRO 30 8.408 -9.191 -2.594
272 H ASN 31 H ASN 31 6.695 -6.188 -6.903
273 HA ASN 31 HA ASN 31 6.615 -3.420 -5.827
274 HB2 ASN 31 HB2 ASN 31 6.790 -4.488 -8.654
275 HB3 ASN 31 HB3 ASN 31 6.678 -2.775 -8.251
276 HD21 ASN 31 HD21 ASN 31 8.313 -3.928 -5.680
277 HD22 ASN 31 HD22 ASN 31 9.912 -3.786 -6.238
278 H LEU 32 H LEU 32 4.739 -2.350 -5.627
279 HA LEU 32 HA LEU 32 2.257 -3.668 -6.622
280 HB2 LEU 32 HB2 LEU 32 2.977 -2.011 -4.272
281 HB3 LEU 32 HB3 LEU 32 1.395 -1.698 -4.975
282 HG LEU 32 HG LEU 32 0.615 -3.855 -4.508
283 HD11 LEU 32 HD11 LEU 32 2.053 -5.462 -5.285
284 HD12 LEU 32 HD12 LEU 32 2.490 -5.551 -3.581
285 HD13 LEU 32 HD13 LEU 32 3.484 -4.616 -4.693
286 HD21 LEU 32 HD21 LEU 32 0.997 -4.183 -2.175
287 HD22 LEU 32 HD22 LEU 32 1.196 -2.453 -2.454
288 HD23 LEU 32 HD23 LEU 32 2.612 -3.484 -2.273
289 H HIS 33 H HIS 33 0.669 -2.439 -7.689
290 HA HIS 33 HA HIS 33 0.846 0.350 -8.241
291 HB2 HIS 33 HB2 HIS 33 2.824 -0.350 -9.566
292 HB3 HIS 33 HB3 HIS 33 1.818 -1.486 -10.450
293 HD1 HIS 33 HD1 HIS 33 1.776 2.257 -9.666
294 HD2 HIS 33 HD2 HIS 33 0.793 -0.368 -12.756
295 HE1 HIS 33 HE1 HIS 33 0.990 3.691 -11.603
296 HE2 HIS 33 HE2 HIS 33 0.390 2.103 -13.488
297 H GLY 34 H GLY 34 -1.411 0.125 -7.820
298 HA2 GLY 34 HA2 GLY 34 -3.540 0.255 -8.956
299 HA3 GLY 34 HA3 GLY 34 -2.923 -0.851 -10.180
300 H ILE 35 H ILE 35 -2.023 -2.102 -7.192
301 HA ILE 35 HA ILE 35 -3.802 -4.319 -7.427
302 HB ILE 35 HB ILE 35 -3.026 -5.018 -5.242
303 HG12 ILE 35 HG12 ILE 35 -1.711 -2.310 -4.886
304 HG13 ILE 35 HG13 ILE 35 -3.293 -2.672 -4.204
305 HG21 ILE 35 HG21 ILE 35 -1.447 -4.834 -7.316
306 HG22 ILE 35 HG22 ILE 35 -0.753 -5.204 -5.739
307 HG23 ILE 35 HG23 ILE 35 -0.657 -3.565 -6.381
308 HD11 ILE 35 HD11 ILE 35 -2.432 -3.973 -2.573
309 HD12 ILE 35 HD12 ILE 35 -0.906 -3.182 -2.954
310 HD13 ILE 35 HD13 ILE 35 -1.289 -4.748 -3.669
311 H PHE 36 H PHE 36 -4.376 -1.167 -6.398
312 HA PHE 36 HA PHE 36 -6.168 -1.313 -4.284
313 HB2 PHE 36 HB2 PHE 36 -6.043 0.406 -6.738
314 HB3 PHE 36 HB3 PHE 36 -7.430 0.549 -5.661
315 HD1 PHE 36 HD2 PHE 36 -3.655 0.443 -5.543
316 HD2 PHE 36 HD1 PHE 36 -7.299 1.954 -3.816
317 HE1 PHE 36 HE2 PHE 36 -2.346 1.858 -3.983
318 HE2 PHE 36 HE1 PHE 36 -5.986 3.374 -2.273
319 HZ PHE 36 HZ PHE 36 -3.509 3.318 -2.350
320 H GLY 37 H GLY 37 -6.714 -2.317 -7.627
321 HA2 GLY 37 HA2 GLY 37 -9.483 -3.155 -6.845
322 HA3 GLY 37 HA3 GLY 37 -9.006 -2.757 -8.495
323 H ARG 38 H ARG 38 -7.156 -4.751 -6.208
324 HA ARG 38 HA ARG 38 -7.803 -7.139 -7.869
325 HB2 ARG 38 HB2 ARG 38 -5.026 -6.208 -7.101
326 HB3 ARG 38 HB3 ARG 38 -5.386 -7.785 -7.798
327 HG2 ARG 38 HG2 ARG 38 -6.213 -5.218 -9.158
328 HG3 ARG 38 HG3 ARG 38 -4.630 -5.946 -9.426
329 HD2 ARG 38 HD2 ARG 38 -5.869 -8.108 -10.003
330 HD3 ARG 38 HD3 ARG 38 -7.345 -7.141 -10.039
331 HE ARG 38 HE ARG 38 -5.153 -6.114 -11.706
332 HH11 ARG 38 HH21 ARG 38 -7.996 -8.044 -11.404
333 HH12 ARG 38 HH22 ARG 38 -8.367 -7.997 -13.095
334 HH21 ARG 38 HH11 ARG 38 -5.623 -6.044 -13.915
335 HH22 ARG 38 HH12 ARG 38 -7.025 -6.865 -14.516
336 H HIS 39 H HIS 39 -6.961 -9.172 -6.793
337 HA HIS 39 HA HIS 39 -7.671 -9.066 -3.931
338 HB2 HIS 39 HB2 HIS 39 -7.308 -11.262 -5.953
339 HB3 HIS 39 HB3 HIS 39 -7.331 -11.629 -4.233
340 HD1 HIS 39 HD1 HIS 39 -9.451 -9.362 -6.448
341 HD2 HIS 39 HD2 HIS 39 -9.916 -12.304 -3.538
342 HE1 HIS 39 HE1 HIS 39 -11.941 -9.676 -6.151
343 HE2 HIS 39 HE2 HIS 39 -12.242 -11.457 -4.367
344 H SER 40 H SER 40 -6.236 -9.679 -2.275
345 HA SER 40 HA SER 40 -3.501 -9.074 -2.608
346 HB2 SER 40 HB2 SER 40 -5.085 -10.542 -0.543
347 HB3 SER 40 HB3 SER 40 -3.335 -10.681 -0.493
348 HG SER 40 HG SER 40 -4.989 -8.440 -0.167
349 H GLY 41 H GLY 41 -1.771 -10.277 -3.266
350 HA2 GLY 41 HA2 GLY 41 -0.618 -12.423 -3.525
351 HA3 GLY 41 HA3 GLY 41 -2.185 -13.194 -3.708
352 H GLN 42 H GLN 42 -2.526 -10.462 -5.453
353 HA GLN 42 HA GLN 42 -1.661 -11.864 -7.946
354 HB2 GLN 42 HB2 GLN 42 -3.716 -9.670 -7.542
355 HB3 GLN 42 HB3 GLN 42 -3.328 -10.439 -9.083
356 HG2 GLN 42 HG2 GLN 42 -3.943 -12.643 -8.099
357 HG3 GLN 42 HG3 GLN 42 -4.432 -11.815 -6.622
358 HE21 GLN 42 HE21 GLN 42 -5.169 -9.649 -9.006
359 HE22 GLN 42 HE22 GLN 42 -6.772 -10.103 -9.330
360 H ALA 43 H ALA 43 0.193 -11.094 -8.784
361 HA ALA 43 HA ALA 43 0.632 -8.154 -8.770
362 HB1 ALA 43 HB1 ALA 43 2.105 -10.006 -7.214
363 HB2 ALA 43 HB2 ALA 43 2.468 -8.301 -7.480
364 HB3 ALA 43 HB3 ALA 43 3.152 -9.525 -8.549
365 H GLU 44 H GLU 44 1.955 -7.424 -10.534
366 HA GLU 44 HA GLU 44 1.798 -9.199 -12.884
367 HB2 GLU 44 HB2 GLU 44 2.624 -6.293 -12.605
368 HB3 GLU 44 HB3 GLU 44 2.481 -7.157 -14.137
369 HG2 GLU 44 HG2 GLU 44 0.092 -7.618 -13.627
370 HG3 GLU 44 HG3 GLU 44 0.246 -6.678 -12.142
371 H GLY 45 H GLY 45 4.215 -7.609 -10.863
372 HA2 GLY 45 HA2 GLY 45 6.410 -8.644 -12.531
373 HA3 GLY 45 HA3 GLY 45 6.588 -7.634 -11.096
374 H TYR 46 H TYR 46 5.957 -8.751 -8.983
375 HA TYR 46 HA TYR 46 6.724 -11.633 -9.107
376 HB2 TYR 46 HB2 TYR 46 8.600 -10.571 -8.135
377 HB3 TYR 46 HB3 TYR 46 7.588 -9.473 -7.196
378 HD1 TYR 46 HD1 TYR 46 7.597 -13.198 -7.692
379 HD2 TYR 46 HD2 TYR 46 7.766 -9.923 -4.914
380 HE1 TYR 46 HE1 TYR 46 7.592 -14.800 -5.800
381 HE2 TYR 46 HE2 TYR 46 7.764 -11.528 -3.020
382 HH TYR 46 HH TYR 46 7.633 -15.049 -3.603
383 H SER 47 H SER 47 5.408 -13.037 -8.130
384 HA SER 47 HA SER 47 2.890 -12.149 -7.053
385 HB2 SER 47 HB2 SER 47 2.431 -14.462 -6.677
386 HB3 SER 47 HB3 SER 47 3.416 -14.419 -8.137
387 HG SER 47 HG SER 47 4.078 -15.970 -6.495
388 H TYR 48 H TYR 48 2.220 -12.231 -4.859
389 HA TYR 48 HA TYR 48 4.143 -11.317 -2.955
390 HB2 TYR 48 HB2 TYR 48 1.374 -12.456 -2.532
391 HB3 TYR 48 HB3 TYR 48 2.310 -11.611 -1.310
392 HD1 TYR 48 HD1 TYR 48 0.845 -11.194 -4.728
393 HD2 TYR 48 HD2 TYR 48 2.343 -9.269 -1.201
394 HE1 TYR 48 HE1 TYR 48 0.068 -9.008 -5.591
395 HE2 TYR 48 HE2 TYR 48 1.568 -7.079 -2.061
396 HH TYR 48 HH TYR 48 0.754 -5.994 -3.844
397 H THR 49 H THR 49 4.061 -12.572 -0.651
398 HA THR 49 HA THR 49 5.616 -14.964 -1.049
399 HB THR 49 HB THR 49 4.289 -13.979 1.494
400 HG1 THR 49 HG1 THR 49 6.863 -13.457 1.414
401 HG21 THR 49 HG21 THR 49 6.003 -15.279 2.624
402 HG22 THR 49 HG22 THR 49 6.736 -15.717 1.081
403 HG23 THR 49 HG23 THR 49 5.139 -16.333 1.505
404 H ASP 50 H ASP 50 5.033 -17.144 -0.596
405 HA ASP 50 HA ASP 50 2.535 -18.039 -1.464
406 HB2 ASP 50 HB2 ASP 50 4.477 -19.319 0.477
407 HB3 ASP 50 HB3 ASP 50 3.095 -20.160 -0.219
408 H ALA 51 H ALA 51 3.544 -17.231 1.860
409 HA ALA 51 HA ALA 51 1.124 -18.119 3.121
410 HB1 ALA 51 HB1 ALA 51 1.795 -16.544 4.956
411 HB2 ALA 51 HB2 ALA 51 3.088 -15.949 3.917
412 HB3 ALA 51 HB3 ALA 51 3.098 -17.625 4.464
413 H ASN 52 H ASN 52 2.155 -14.896 2.005
414 HA ASN 52 HA ASN 52 -0.288 -13.545 2.560
415 HB2 ASN 52 HB2 ASN 52 1.779 -12.350 1.969
416 HB3 ASN 52 HB3 ASN 52 1.727 -13.045 0.349
417 HD21 ASN 52 HD21 ASN 52 1.685 -10.495 -0.054
418 HD22 ASN 52 HD22 ASN 52 0.130 -9.824 -0.202
419 H ILE 53 H ILE 53 0.833 -15.299 -0.312
420 HA ILE 53 HA ILE 53 -1.477 -14.782 -1.921
421 HB ILE 53 HB ILE 53 0.480 -17.083 -1.983
422 HG12 ILE 53 HG12 ILE 53 0.306 -14.587 -3.694
423 HG13 ILE 53 HG13 ILE 53 1.396 -14.761 -2.320
424 HG21 ILE 53 HG21 ILE 53 -1.570 -17.713 -3.132
425 HG22 ILE 53 HG22 ILE 53 -0.335 -17.345 -4.337
426 HG23 ILE 53 HG23 ILE 53 -1.602 -16.170 -3.986
427 HD11 ILE 53 HD11 ILE 53 2.496 -16.664 -3.383
428 HD12 ILE 53 HD12 ILE 53 2.504 -15.293 -4.493
429 HD13 ILE 53 HD13 ILE 53 1.352 -16.609 -4.724
430 H LYS 54 H LYS 54 -0.782 -17.180 0.564
431 HA LYS 54 HA LYS 54 -2.839 -19.038 0.033
432 HB2 LYS 54 HB2 LYS 54 -1.137 -19.314 1.826
433 HB3 LYS 54 HB3 LYS 54 -1.942 -18.048 2.747
434 HG2 LYS 54 HG2 LYS 54 -4.026 -19.389 2.747
435 HG3 LYS 54 HG3 LYS 54 -3.174 -20.677 1.892
436 HD2 LYS 54 HD2 LYS 54 -1.537 -20.783 3.783
437 HD3 LYS 54 HD3 LYS 54 -2.519 -19.602 4.651
438 HE2 LYS 54 HE2 LYS 54 -4.112 -21.830 3.628
439 HE3 LYS 54 HE3 LYS 54 -2.847 -22.363 4.735
440 HZ1 LYS 54 HZ1 LYS 54 -4.760 -21.827 6.012
441 HZ2 LYS 54 HZ2 LYS 54 -4.940 -20.322 5.244
442 HZ3 LYS 54 HZ3 LYS 54 -3.623 -20.598 6.281
443 H LYS 55 H LYS 55 -2.946 -15.977 1.834
444 HA LYS 55 HA LYS 55 -5.921 -16.176 1.895
445 HB2 LYS 55 HB2 LYS 55 -4.611 -15.623 4.011
446 HB3 LYS 55 HB3 LYS 55 -4.181 -14.093 3.244
447 HG2 LYS 55 HG2 LYS 55 -6.594 -13.579 2.958
448 HG3 LYS 55 HG3 LYS 55 -6.996 -15.081 3.793
449 HD2 LYS 55 HD2 LYS 55 -5.659 -14.252 5.764
450 HD3 LYS 55 HD3 LYS 55 -5.506 -12.704 4.933
451 HE2 LYS 55 HE2 LYS 55 -8.093 -12.794 4.741
452 HE3 LYS 55 HE3 LYS 55 -7.994 -14.022 6.005
453 HZ1 LYS 55 HZ1 LYS 55 -7.171 -11.187 6.122
454 HZ2 LYS 55 HZ2 LYS 55 -6.550 -12.329 7.217
455 HZ3 LYS 55 HZ3 LYS 55 -8.221 -12.030 7.153
456 H ASN 56 H ASN 56 -7.004 -15.083 0.320
457 HA ASN 56 HA ASN 56 -5.653 -12.714 -0.915
458 HB2 ASN 56 HB2 ASN 56 -6.514 -13.362 -3.066
459 HB3 ASN 56 HB3 ASN 56 -5.707 -14.766 -2.375
460 HD21 ASN 56 HD21 ASN 56 -7.839 -14.913 -4.374
461 HD22 ASN 56 HD22 ASN 56 -9.148 -15.714 -3.650
462 H VAL 57 H VAL 57 -6.828 -10.877 -0.805
463 HA VAL 57 HA VAL 57 -9.783 -11.084 -0.538
464 HB VAL 57 HB VAL 57 -7.961 -9.332 1.124
465 HG11 VAL 57 HG11 VAL 57 -10.592 -9.389 2.150
466 HG12 VAL 57 HG12 VAL 57 -10.754 -9.112 0.414
467 HG13 VAL 57 HG13 VAL 57 -9.772 -8.022 1.393
468 HG21 VAL 57 HG21 VAL 57 -9.063 -12.005 1.490
469 HG22 VAL 57 HG22 VAL 57 -9.586 -10.908 2.768
470 HG23 VAL 57 HG23 VAL 57 -7.866 -11.150 2.463
471 H LEU 58 H LEU 58 -10.921 -9.512 -1.659
472 HA LEU 58 HA LEU 58 -9.671 -8.085 -3.761
473 HB2 LEU 58 HB2 LEU 58 -12.082 -8.483 -3.751
474 HB3 LEU 58 HB3 LEU 58 -12.264 -7.461 -2.325
475 HG LEU 58 HG LEU 58 -11.377 -5.527 -3.624
476 HD11 LEU 58 HD11 LEU 58 -11.618 -6.186 -6.255
477 HD12 LEU 58 HD12 LEU 58 -10.959 -7.685 -5.606
478 HD13 LEU 58 HD13 LEU 58 -10.083 -6.172 -5.387
479 HD21 LEU 58 HD21 LEU 58 -13.775 -7.038 -4.679
480 HD22 LEU 58 HD22 LEU 58 -13.360 -5.423 -5.255
481 HD23 LEU 58 HD23 LEU 58 -13.753 -5.678 -3.554
482 H TRP 59 H TRP 59 -8.926 -5.959 -3.915
483 HA TRP 59 HA TRP 59 -8.357 -4.682 -1.301
484 HB2 TRP 59 HB2 TRP 59 -7.049 -4.645 -3.991
485 HB3 TRP 59 HB3 TRP 59 -6.784 -3.297 -2.887
486 HD1 TRP 59 HD1 TRP 59 -5.258 -6.436 -3.761
487 HE1 TRP 59 HE1 TRP 59 -3.824 -7.370 -1.833
488 HE3 TRP 59 HE3 TRP 59 -7.003 -3.589 0.110
489 HZ2 TRP 59 HZ2 TRP 59 -3.478 -6.968 0.978
490 HZ3 TRP 59 HZ3 TRP 59 -6.116 -3.902 2.398
491 HH2 TRP 59 HH2 TRP 59 -4.355 -5.594 2.836
492 H ASP 60 H ASP 60 -8.919 -2.550 -0.898
493 HA ASP 60 HA ASP 60 -10.324 -1.009 -2.996
494 HB2 ASP 60 HB2 ASP 60 -12.043 -2.405 -1.770
495 HB3 ASP 60 HB3 ASP 60 -11.603 -1.537 -0.299
496 H GLU 61 H GLU 61 -10.622 1.282 -2.281
497 HA GLU 61 HA GLU 61 -8.302 2.381 -1.120
498 HB2 GLU 61 HB2 GLU 61 -11.105 3.547 -1.139
499 HB3 GLU 61 HB3 GLU 61 -9.617 4.460 -0.891
500 HG2 GLU 61 HG2 GLU 61 -8.825 3.778 -3.129
501 HG3 GLU 61 HG3 GLU 61 -10.323 2.881 -3.381
502 H ASN 62 H ASN 62 -11.399 1.510 0.390
503 HA ASN 62 HA ASN 62 -10.604 2.472 3.017
504 HB2 ASN 62 HB2 ASN 62 -12.828 0.597 2.153
505 HB3 ASN 62 HB3 ASN 62 -12.636 1.238 3.786
506 HD21 ASN 62 HD21 ASN 62 -14.966 1.830 2.227
507 HD22 ASN 62 HD22 ASN 62 -14.951 3.490 1.851
508 H ASN 63 H ASN 63 -10.773 -0.738 1.462
509 HA ASN 63 HA ASN 63 -9.949 -2.233 3.744
510 HB2 ASN 63 HB2 ASN 63 -9.590 -2.796 0.789
511 HB3 ASN 63 HB3 ASN 63 -9.314 -3.973 2.070
512 HD21 ASN 63 HD21 ASN 63 -11.314 -4.459 0.113
513 HD22 ASN 63 HD22 ASN 63 -12.844 -4.355 0.853
514 H MET 64 H MET 64 -8.078 -0.722 1.125
515 HA MET 64 HA MET 64 -5.540 -1.738 1.949
516 HB2 MET 64 HB2 MET 64 -6.320 0.737 0.402
517 HB3 MET 64 HB3 MET 64 -4.648 0.264 0.663
518 HG2 MET 64 HG2 MET 64 -5.359 -2.035 -0.292
519 HG3 MET 64 HG3 MET 64 -6.784 -1.187 -0.885
520 HE1 MET 64 HE1 MET 64 -2.836 -0.030 -0.654
521 HE2 MET 64 HE2 MET 64 -2.442 -0.891 -2.139
522 HE3 MET 64 HE3 MET 64 -3.176 -1.763 -0.794
523 H SER 65 H SER 65 -7.362 1.144 2.929
524 HA SER 65 HA SER 65 -5.316 2.455 4.379
525 HB2 SER 65 HB2 SER 65 -8.242 2.260 5.156
526 HB3 SER 65 HB3 SER 65 -7.107 3.508 5.662
527 HG SER 65 HG SER 65 -7.221 4.404 3.734
528 H GLU 66 H GLU 66 -7.424 -0.242 5.310
529 HA GLU 66 HA GLU 66 -6.608 -0.362 8.054
530 HB2 GLU 66 HB2 GLU 66 -7.596 -2.544 6.191
531 HB3 GLU 66 HB3 GLU 66 -7.431 -2.721 7.938
532 HG2 GLU 66 HG2 GLU 66 -8.991 -0.816 8.260
533 HG3 GLU 66 HG3 GLU 66 -9.195 -0.709 6.512
534 H TYR 67 H TYR 67 -5.289 -1.811 5.089
535 HA TYR 67 HA TYR 67 -3.329 -3.453 6.390
536 HB2 TYR 67 HB2 TYR 67 -3.968 -3.699 4.000
537 HB3 TYR 67 HB3 TYR 67 -3.165 -2.170 3.649
538 HD1 TYR 67 HD1 TYR 67 -2.655 -5.678 4.708
539 HD2 TYR 67 HD2 TYR 67 -0.754 -1.971 3.654
540 HE1 TYR 67 HE1 TYR 67 -0.469 -6.840 4.556
541 HE2 TYR 67 HE2 TYR 67 1.429 -3.136 3.498
542 HH TYR 67 HH TYR 67 2.378 -5.423 4.668
543 H LEU 68 H LEU 68 -3.182 -0.118 5.122
544 HA LEU 68 HA LEU 68 -0.457 0.380 5.538
545 HB2 LEU 68 HB2 LEU 68 -2.770 2.274 6.036
546 HB3 LEU 68 HB3 LEU 68 -1.093 2.745 5.767
547 HG LEU 68 HG LEU 68 -2.808 1.205 3.804
548 HD11 LEU 68 HD11 LEU 68 -3.214 3.753 4.271
549 HD12 LEU 68 HD12 LEU 68 -3.093 3.181 2.608
550 HD13 LEU 68 HD13 LEU 68 -1.711 3.965 3.372
551 HD21 LEU 68 HD21 LEU 68 -0.711 2.096 2.373
552 HD22 LEU 68 HD22 LEU 68 -0.691 0.537 3.197
553 HD23 LEU 68 HD23 LEU 68 0.076 1.938 3.943
554 H THR 69 H THR 69 -3.089 0.304 7.913
555 HA THR 69 HA THR 69 -1.748 1.440 10.117
556 HB THR 69 HB THR 69 -3.569 -0.983 10.211
557 HG1 THR 69 HG1 THR 69 -5.058 0.299 9.518
558 HG21 THR 69 HG21 THR 69 -4.098 -0.236 12.419
559 HG22 THR 69 HG22 THR 69 -3.244 1.286 12.174
560 HG23 THR 69 HG23 THR 69 -2.339 -0.222 12.293
561 H ASN 70 H ASN 70 -1.666 -1.871 8.846
562 HA ASN 70 HA ASN 70 0.974 -2.258 10.129
563 HB2 ASN 70 HB2 ASN 70 -0.969 -3.170 11.614
564 HB3 ASN 70 HB3 ASN 70 -1.089 -4.436 10.395
565 HD21 ASN 70 HD21 ASN 70 0.163 -6.233 10.875
566 HD22 ASN 70 HD22 ASN 70 1.617 -6.207 11.760
567 H HIS 71 H HIS 71 2.304 -3.464 8.784
568 HA HIS 71 HA HIS 71 1.503 -3.902 6.097
569 HB2 HIS 71 HB2 HIS 71 3.894 -4.318 7.690
570 HB3 HIS 71 HB3 HIS 71 3.658 -5.626 6.530
571 HD1 HIS 71 HD1 HIS 71 4.118 -1.878 6.709
572 HD2 HIS 71 HD2 HIS 71 3.977 -4.887 3.822
573 HE1 HIS 71 HE1 HIS 71 4.845 -0.814 4.523
574 H ALA 72 H ALA 72 -0.036 -5.417 8.362
575 HA ALA 72 HA ALA 72 -0.691 -7.715 6.765
576 HB1 ALA 72 HB1 ALA 72 1.038 -8.200 9.202
577 HB2 ALA 72 HB2 ALA 72 1.471 -8.546 7.529
578 HB3 ALA 72 HB3 ALA 72 0.182 -9.458 8.314
579 H LYS 73 H LYS 73 -1.976 -5.566 8.341
580 HA LYS 73 HA LYS 73 -3.090 -6.531 10.772
581 HB2 LYS 73 HB2 LYS 73 -3.277 -4.172 9.912
582 HB3 LYS 73 HB3 LYS 73 -4.486 -4.743 8.763
583 HG2 LYS 73 HG2 LYS 73 -5.869 -5.573 10.642
584 HG3 LYS 73 HG3 LYS 73 -4.671 -4.959 11.782
585 HD2 LYS 73 HD2 LYS 73 -5.006 -2.670 10.803
586 HD3 LYS 73 HD3 LYS 73 -6.323 -3.330 9.834
587 HE2 LYS 73 HE2 LYS 73 -7.678 -2.899 11.585
588 HE3 LYS 73 HE3 LYS 73 -6.869 -4.225 12.420
589 HZ1 LYS 73 HZ1 LYS 73 -5.922 -1.411 12.428
590 HZ2 LYS 73 HZ2 LYS 73 -5.283 -2.703 13.328
591 HZ3 LYS 73 HZ3 LYS 73 -6.841 -2.115 13.668
592 H TYR 74 H TYR 74 -4.221 -6.916 7.413
593 HA TYR 74 HA TYR 74 -6.305 -8.806 8.423
594 HB2 TYR 74 HB2 TYR 74 -6.131 -6.999 6.045
595 HB3 TYR 74 HB3 TYR 74 -7.084 -8.476 5.913
596 HD1 TYR 74 HD2 TYR 74 -6.626 -5.399 7.978
597 HD2 TYR 74 HD1 TYR 74 -9.226 -8.640 6.891
598 HE1 TYR 74 HE2 TYR 74 -8.486 -4.322 9.217
599 HE2 TYR 74 HE1 TYR 74 -11.086 -7.565 8.128
600 HH TYR 74 HH TYR 74 -11.767 -5.579 9.057
601 H ILE 75 H ILE 75 -3.255 -9.089 7.510
602 HA ILE 75 HA ILE 75 -3.795 -11.584 5.952
603 HB ILE 75 HB ILE 75 -1.262 -10.058 5.495
604 HG12 ILE 75 HG12 ILE 75 -3.898 -9.441 4.126
605 HG13 ILE 75 HG13 ILE 75 -3.055 -8.366 5.246
606 HG21 ILE 75 HG21 ILE 75 -3.067 -11.717 3.711
607 HG22 ILE 75 HG22 ILE 75 -1.635 -12.321 4.543
608 HG23 ILE 75 HG23 ILE 75 -1.473 -11.098 3.282
609 HD11 ILE 75 HD11 ILE 75 -1.023 -8.834 3.585
610 HD12 ILE 75 HD12 ILE 75 -2.201 -7.560 3.261
611 HD13 ILE 75 HD13 ILE 75 -2.341 -9.119 2.448
612 HA PRO 76 HA PRO 76 -1.386 -12.412 9.855
613 HB2 PRO 76 HB2 PRO 76 -2.858 -14.976 9.610
614 HB3 PRO 76 HB3 PRO 76 -2.679 -13.913 11.018
615 HG2 PRO 76 HG2 PRO 76 -4.980 -14.117 9.643
616 HG3 PRO 76 HG3 PRO 76 -4.468 -12.620 10.439
617 HD2 PRO 76 HD2 PRO 76 -4.457 -13.303 7.532
618 HD3 PRO 76 HD3 PRO 76 -4.678 -11.726 8.322
619 H GLY 77 H GLY 77 0.619 -13.288 9.678
620 HA2 GLY 77 HA2 GLY 77 2.193 -15.009 9.083
621 HA3 GLY 77 HA3 GLY 77 1.034 -15.625 7.903
622 H THR 78 H THR 78 0.917 -12.382 7.458
623 HA THR 78 HA THR 78 2.519 -12.539 5.046
624 HB THR 78 HB THR 78 0.867 -10.405 6.351
625 HG1 THR 78 HG1 THR 78 0.866 -11.915 3.983
626 HG21 THR 78 HG21 THR 78 2.644 -9.064 5.598
627 HG22 THR 78 HG22 THR 78 1.513 -9.041 4.246
628 HG23 THR 78 HG23 THR 78 2.930 -10.088 4.193
629 H LYS 79 H LYS 79 4.422 -11.279 4.591
630 HA LYS 79 HA LYS 79 6.236 -11.048 6.841
631 HB2 LYS 79 HB2 LYS 79 6.547 -10.041 3.995
632 HB3 LYS 79 HB3 LYS 79 7.846 -10.223 5.174
633 HG2 LYS 79 HG2 LYS 79 7.197 -12.684 5.323
634 HG3 LYS 79 HG3 LYS 79 6.179 -12.408 3.908
635 HD2 LYS 79 HD2 LYS 79 9.159 -11.853 4.039
636 HD3 LYS 79 HD3 LYS 79 8.427 -13.268 3.283
637 HE2 LYS 79 HE2 LYS 79 8.608 -11.903 1.429
638 HE3 LYS 79 HE3 LYS 79 7.018 -11.399 1.998
639 HZ1 LYS 79 HZ1 LYS 79 8.674 -9.579 1.496
640 HZ2 LYS 79 HZ2 LYS 79 9.505 -10.070 2.894
641 HZ3 LYS 79 HZ3 LYS 79 7.908 -9.501 3.007
642 H MET 80 H MET 80 6.983 -9.161 7.845
643 HA MET 80 HA MET 80 5.632 -6.613 7.051
644 HB2 MET 80 HB2 MET 80 6.142 -7.657 9.853
645 HB3 MET 80 HB3 MET 80 5.537 -6.043 9.478
646 HG2 MET 80 HG2 MET 80 3.612 -7.108 8.271
647 HG3 MET 80 HG3 MET 80 4.184 -8.678 8.836
648 HE1 MET 80 HE1 MET 80 3.891 -8.748 12.500
649 HE2 MET 80 HE2 MET 80 5.217 -7.685 12.034
650 HE3 MET 80 HE3 MET 80 4.868 -9.120 11.073
651 H ALA 81 H ALA 81 6.875 -4.664 7.654
652 HA ALA 81 HA ALA 81 9.596 -4.940 8.629
653 HB1 ALA 81 HB1 ALA 81 9.148 -5.334 5.835
654 HB2 ALA 81 HB2 ALA 81 10.688 -5.267 6.692
655 HB3 ALA 81 HB3 ALA 81 9.977 -3.791 6.041
656 H PHE 82 H PHE 82 7.443 -2.873 6.637
657 HA PHE 82 HA PHE 82 8.681 -0.403 7.271
658 HB2 PHE 82 HB2 PHE 82 6.871 -0.716 5.549
659 HB3 PHE 82 HB3 PHE 82 5.707 -0.828 6.870
660 HD1 PHE 82 HD1 PHE 82 8.191 1.365 5.215
661 HD2 PHE 82 HD2 PHE 82 5.007 1.119 8.084
662 HE1 PHE 82 HE1 PHE 82 8.121 3.836 5.346
663 HE2 PHE 82 HE2 PHE 82 4.937 3.592 8.214
664 HZ PHE 82 HZ PHE 82 6.492 4.949 6.840
665 H GLY 83 H GLY 83 6.104 -2.168 8.983
666 HA2 GLY 83 HA2 GLY 83 6.094 -2.113 11.455
667 HA3 GLY 83 HA3 GLY 83 6.665 -0.446 11.363
668 H GLY 84 H GLY 84 5.090 1.032 10.036
669 HA2 GLY 84 HA2 GLY 84 2.480 0.717 9.446
670 HA3 GLY 84 HA3 GLY 84 2.406 0.639 11.206
671 H LEU 85 H LEU 85 1.278 2.695 9.418
672 HA LEU 85 HA LEU 85 2.918 5.080 10.075
673 HB2 LEU 85 HB2 LEU 85 0.435 4.774 8.365
674 HB3 LEU 85 HB3 LEU 85 1.391 6.243 8.536
675 HG LEU 85 HG LEU 85 2.724 3.690 7.676
676 HD11 LEU 85 HD11 LEU 85 1.406 5.667 5.799
677 HD12 LEU 85 HD12 LEU 85 0.728 4.087 6.202
678 HD13 LEU 85 HD13 LEU 85 2.272 4.193 5.354
679 HD21 LEU 85 HD21 LEU 85 4.085 5.695 8.267
680 HD22 LEU 85 HD22 LEU 85 3.222 6.616 7.041
681 HD23 LEU 85 HD23 LEU 85 4.249 5.266 6.567
682 H LYS 86 H LYS 86 2.449 5.061 12.357
683 HA LYS 86 HA LYS 86 -0.165 4.991 13.470
684 HB2 LYS 86 HB2 LYS 86 2.359 6.342 14.466
685 HB3 LYS 86 HB3 LYS 86 0.904 6.109 15.432
686 HG2 LYS 86 HG2 LYS 86 1.083 3.649 15.035
687 HG3 LYS 86 HG3 LYS 86 2.608 3.931 14.194
688 HD2 LYS 86 HD2 LYS 86 3.503 5.012 16.259
689 HD3 LYS 86 HD3 LYS 86 2.005 4.593 17.091
690 HE2 LYS 86 HE2 LYS 86 2.604 2.168 16.126
691 HE3 LYS 86 HE3 LYS 86 4.238 2.826 16.205
692 HZ1 LYS 86 HZ1 LYS 86 3.639 3.519 18.545
693 HZ2 LYS 86 HZ2 LYS 86 3.854 1.855 18.282
694 HZ3 LYS 86 HZ3 LYS 86 2.289 2.503 18.406
695 H LYS 87 H LYS 87 1.740 7.639 12.118
696 HA LYS 87 HA LYS 87 -0.005 9.741 13.036
697 HB2 LYS 87 HB2 LYS 87 2.357 10.066 12.211
698 HB3 LYS 87 HB3 LYS 87 1.772 9.753 10.579
699 HG2 LYS 87 HG2 LYS 87 1.695 12.095 10.706
700 HG3 LYS 87 HG3 LYS 87 0.039 11.634 11.095
701 HD2 LYS 87 HD2 LYS 87 0.440 11.907 13.461
702 HD3 LYS 87 HD3 LYS 87 2.170 12.122 13.193
703 HE2 LYS 87 HE2 LYS 87 -0.031 13.977 12.242
704 HE3 LYS 87 HE3 LYS 87 1.110 14.300 13.547
705 HZ1 LYS 87 HZ1 LYS 87 1.976 15.361 11.659
706 HZ2 LYS 87 HZ2 LYS 87 1.674 14.025 10.654
707 HZ3 LYS 87 HZ3 LYS 87 2.900 13.948 11.828
708 H GLU 88 H GLU 88 -2.031 10.151 12.327
709 HA GLU 88 HA GLU 88 -3.259 8.671 10.208
710 HB2 GLU 88 HB2 GLU 88 -4.105 11.245 11.548
711 HB3 GLU 88 HB3 GLU 88 -5.131 10.296 10.476
712 HG2 GLU 88 HG2 GLU 88 -4.877 8.347 11.998
713 HG3 GLU 88 HG3 GLU 88 -3.919 9.348 13.090
714 H LYS 89 H LYS 89 -1.671 11.811 10.319
715 HA LYS 89 HA LYS 89 -2.567 12.836 7.836
716 HB2 LYS 89 HB2 LYS 89 0.080 13.196 9.260
717 HB3 LYS 89 HB3 LYS 89 -0.447 14.161 7.885
718 HG2 LYS 89 HG2 LYS 89 -2.481 14.822 9.184
719 HG3 LYS 89 HG3 LYS 89 -1.827 13.956 10.574
720 HD2 LYS 89 HD2 LYS 89 0.214 15.396 10.454
721 HD3 LYS 89 HD3 LYS 89 -0.554 16.316 9.160
722 HE2 LYS 89 HE2 LYS 89 -1.802 17.488 10.627
723 HE3 LYS 89 HE3 LYS 89 -2.333 16.017 11.442
724 HZ1 LYS 89 HZ1 LYS 89 0.381 17.107 11.855
725 HZ2 LYS 89 HZ2 LYS 89 -0.495 16.034 12.840
726 HZ3 LYS 89 HZ3 LYS 89 -0.937 17.673 12.761
727 H ASP 90 H ASP 90 0.237 10.753 8.563
728 HA ASP 90 HA ASP 90 1.157 10.658 5.838
729 HB2 ASP 90 HB2 ASP 90 1.556 8.664 8.093
730 HB3 ASP 90 HB3 ASP 90 2.466 8.707 6.586
731 H ARG 91 H ARG 91 -0.581 8.200 7.790
732 HA ARG 91 HA ARG 91 -1.114 6.417 5.668
733 HB2 ARG 91 HB2 ARG 91 -1.514 5.938 8.086
734 HB3 ARG 91 HB3 ARG 91 -2.922 6.999 8.029
735 HG2 ARG 91 HG2 ARG 91 -3.945 5.580 6.305
736 HG3 ARG 91 HG3 ARG 91 -2.527 4.532 6.311
737 HD2 ARG 91 HD2 ARG 91 -4.202 3.490 7.703
738 HD3 ARG 91 HD3 ARG 91 -2.944 4.122 8.768
739 HE ARG 91 HE ARG 91 -4.975 6.110 8.440
740 HH11 ARG 91 HH21 ARG 91 -4.353 3.021 9.839
741 HH12 ARG 91 HH22 ARG 91 -5.483 3.233 11.135
742 HH21 ARG 91 HH11 ARG 91 -6.453 6.405 10.123
743 HH22 ARG 91 HH12 ARG 91 -6.672 5.149 11.296
744 H ASN 92 H ASN 92 -3.032 9.219 6.769
745 HA ASN 92 HA ASN 92 -5.158 8.775 4.868
746 HB2 ASN 92 HB2 ASN 92 -4.307 11.242 6.402
747 HB3 ASN 92 HB3 ASN 92 -5.763 11.150 5.418
748 HD21 ASN 92 HD21 ASN 92 -6.224 11.647 8.073
749 HD22 ASN 92 HD22 ASN 92 -6.803 10.260 8.863
750 H ASP 93 H ASP 93 -2.480 11.142 4.915
751 HA ASP 93 HA ASP 93 -3.004 12.183 2.305
752 HB2 ASP 93 HB2 ASP 93 -0.419 12.049 3.887
753 HB3 ASP 93 HB3 ASP 93 -0.639 12.999 2.418
754 H LEU 94 H LEU 94 -1.097 9.452 3.440
755 HA LEU 94 HA LEU 94 0.379 8.798 1.152
756 HB2 LEU 94 HB2 LEU 94 0.620 7.571 3.229
757 HB3 LEU 94 HB3 LEU 94 -1.037 6.992 3.127
758 HG LEU 94 HG LEU 94 -0.513 5.702 1.131
759 HD11 LEU 94 HD11 LEU 94 1.072 6.865 -0.102
760 HD12 LEU 94 HD12 LEU 94 2.086 5.620 0.629
761 HD13 LEU 94 HD13 LEU 94 2.051 7.243 1.316
762 HD21 LEU 94 HD21 LEU 94 0.540 4.005 2.263
763 HD22 LEU 94 HD22 LEU 94 0.261 5.077 3.635
764 HD23 LEU 94 HD23 LEU 94 1.834 5.055 2.841
765 H ILE 95 H ILE 95 -2.813 7.467 1.988
766 HA ILE 95 HA ILE 95 -3.239 6.258 -0.556
767 HB ILE 95 HB ILE 95 -5.205 7.123 1.572
768 HG12 ILE 95 HG12 ILE 95 -3.981 4.424 0.919
769 HG13 ILE 95 HG13 ILE 95 -3.438 5.473 2.228
770 HG21 ILE 95 HG21 ILE 95 -6.460 5.138 0.318
771 HG22 ILE 95 HG22 ILE 95 -5.481 5.698 -1.037
772 HG23 ILE 95 HG23 ILE 95 -6.597 6.804 -0.239
773 HD11 ILE 95 HD11 ILE 95 -6.321 5.102 2.314
774 HD12 ILE 95 HD12 ILE 95 -5.121 4.807 3.572
775 HD13 ILE 95 HD13 ILE 95 -5.474 3.556 2.380
776 H THR 96 H THR 96 -3.960 9.487 0.665
777 HA THR 96 HA THR 96 -5.805 10.349 -1.255
778 HB THR 96 HB THR 96 -3.476 12.007 -0.258
779 HG1 THR 96 HG1 THR 96 -4.683 12.347 1.568
780 HG21 THR 96 HG21 THR 96 -5.033 12.921 -2.021
781 HG22 THR 96 HG22 THR 96 -4.996 13.851 -0.522
782 HG23 THR 96 HG23 THR 96 -6.341 12.761 -0.851
783 H TYR 97 H TYR 97 -2.267 10.110 -1.491
784 HA TYR 97 HA TYR 97 -2.204 11.171 -4.199
785 HB2 TYR 97 HB2 TYR 97 -0.231 11.425 -2.829
786 HB3 TYR 97 HB3 TYR 97 -0.152 9.686 -2.542
787 HD1 TYR 97 HD2 TYR 97 0.030 12.275 -5.230
788 HD2 TYR 97 HD1 TYR 97 0.938 8.251 -4.048
789 HE1 TYR 97 HE2 TYR 97 1.378 11.972 -7.292
790 HE2 TYR 97 HE1 TYR 97 2.279 7.941 -6.103
791 HH TYR 97 HH TYR 97 3.149 8.942 -7.899
792 H LEU 98 H LEU 98 -1.919 7.915 -2.773
793 HA LEU 98 HA LEU 98 -1.535 6.473 -5.175
794 HB2 LEU 98 HB2 LEU 98 -3.120 5.613 -2.736
795 HB3 LEU 98 HB3 LEU 98 -2.436 4.539 -3.956
796 HG LEU 98 HG LEU 98 -0.802 6.443 -2.254
797 HD11 LEU 98 HD11 LEU 98 -1.970 4.442 -1.089
798 HD12 LEU 98 HD12 LEU 98 -0.228 4.610 -0.872
799 HD13 LEU 98 HD13 LEU 98 -0.865 3.434 -2.022
800 HD21 LEU 98 HD21 LEU 98 -0.201 4.424 -4.392
801 HD22 LEU 98 HD22 LEU 98 0.984 4.721 -3.121
802 HD23 LEU 98 HD23 LEU 98 0.465 6.040 -4.168
803 H LYS 99 H LYS 99 -4.588 7.268 -3.517
804 HA LYS 99 HA LYS 99 -6.289 6.139 -5.515
805 HB2 LYS 99 HB2 LYS 99 -7.129 6.674 -3.292
806 HB3 LYS 99 HB3 LYS 99 -6.802 8.380 -3.555
807 HG2 LYS 99 HG2 LYS 99 -8.418 8.394 -5.436
808 HG3 LYS 99 HG3 LYS 99 -8.754 6.688 -5.141
809 HD2 LYS 99 HD2 LYS 99 -9.498 7.261 -2.839
810 HD3 LYS 99 HD3 LYS 99 -9.226 8.967 -3.197
811 HE2 LYS 99 HE2 LYS 99 -10.881 7.557 -5.191
812 HE3 LYS 99 HE3 LYS 99 -11.609 7.668 -3.589
813 HZ1 LYS 99 HZ1 LYS 99 -11.214 10.048 -3.609
814 HZ2 LYS 99 HZ2 LYS 99 -12.159 9.589 -4.943
815 HZ3 LYS 99 HZ3 LYS 99 -10.510 9.944 -5.149
816 H LYS 100 H LYS 100 -4.854 9.351 -5.145
817 HA LYS 100 HA LYS 100 -6.265 10.691 -7.216
818 HB2 LYS 100 HB2 LYS 100 -4.627 11.705 -5.557
819 HB3 LYS 100 HB3 LYS 100 -3.332 11.065 -6.562
820 HG2 LYS 100 HG2 LYS 100 -4.242 12.314 -8.506
821 HG3 LYS 100 HG3 LYS 100 -5.485 13.002 -7.459
822 HD2 LYS 100 HD2 LYS 100 -3.681 13.958 -6.017
823 HD3 LYS 100 HD3 LYS 100 -2.488 13.360 -7.170
824 HE2 LYS 100 HE2 LYS 100 -4.684 14.934 -8.369
825 HE3 LYS 100 HE3 LYS 100 -3.621 15.844 -7.296
826 HZ1 LYS 100 HZ1 LYS 100 -1.831 14.464 -8.675
827 HZ2 LYS 100 HZ2 LYS 100 -2.390 15.994 -9.158
828 HZ3 LYS 100 HZ3 LYS 100 -3.044 14.589 -9.854
829 H ALA 101 H ALA 101 -3.314 8.746 -7.305
830 HA ALA 101 HA ALA 101 -2.894 9.038 -10.153
831 HB1 ALA 101 HB1 ALA 101 -1.141 7.485 -9.895
832 HB2 ALA 101 HB2 ALA 101 -1.942 6.664 -8.555
833 HB3 ALA 101 HB3 ALA 101 -1.216 8.253 -8.310
834 H THR 102 H THR 102 -4.274 6.460 -8.117
835 HA THR 102 HA THR 102 -5.046 4.745 -10.269
836 HB THR 102 HB THR 102 -6.439 5.087 -7.594
837 HG1 THR 102 HG1 THR 102 -4.480 3.163 -8.181
838 HG21 THR 102 HG21 THR 102 -7.236 2.853 -7.937
839 HG22 THR 102 HG22 THR 102 -6.200 2.634 -9.347
840 HG23 THR 102 HG23 THR 102 -7.572 3.739 -9.425
841 H GLU 103 H GLU 103 -6.479 7.603 -8.829
842 HA GLU 103 HA GLU 103 -9.107 7.351 -9.945
843 HB2 GLU 103 HB2 GLU 103 -8.459 9.004 -8.179
844 HB3 GLU 103 HB3 GLU 103 -7.567 9.909 -9.403
845 HG2 GLU 103 HG2 GLU 103 -9.674 10.133 -10.721
846 HG3 GLU 103 HG3 GLU 103 -10.543 9.325 -9.416
847 HHA HEC 104 HA HEC 104 2.321 -6.244 0.996
848 HHB HEC 104 HB HEC 104 1.294 0.007 1.206
849 HHC HEC 104 HC HEC 104 7.452 0.960 2.329
850 HHD HEC 104 HD HEC 104 8.473 -5.265 1.953
851 HMA1 HEC 104 1HMA HEC 104 -0.565 -1.537 -0.381
852 HMA2 HEC 104 2HMA HEC 104 -0.703 -1.039 1.305
853 HMA3 HEC 104 3HMA HEC 104 -1.421 -2.556 0.775
854 HAA1 HEC 104 1HAA HEC 104 0.220 -5.946 1.010
855 HAA2 HEC 104 2HAA HEC 104 -0.778 -4.824 1.906
856 HBA1 HEC 104 1HBA HEC 104 -0.850 -4.064 -0.845
857 HBA2 HEC 104 2HBA HEC 104 -2.165 -4.675 0.157
858 HMB1 HEC 104 1HMB HEC 104 2.012 2.314 2.797
859 HMB2 HEC 104 2HMB HEC 104 2.870 3.392 1.698
860 HMB3 HEC 104 3HMB HEC 104 1.701 2.238 1.062
861 HAB HEC 104 HAB HEC 104 6.582 2.853 1.904
862 HBB1 HEC 104 1HBB HEC 104 4.248 3.363 3.533
863 HBB2 HEC 104 2HBB HEC 104 4.712 4.797 2.617
864 HBB3 HEC 104 3HBB HEC 104 5.880 4.018 3.685
865 HMC1 HEC 104 1HMC HEC 104 9.432 0.178 3.709
866 HMC2 HEC 104 2HMC HEC 104 10.760 -0.741 3.000
867 HMC3 HEC 104 3HMC HEC 104 9.923 0.481 2.042
868 HAC HEC 104 HAC HEC 104 10.326 -4.205 1.564
869 HBC1 HEC 104 1HBC HEC 104 10.708 -2.804 4.092
870 HBC2 HEC 104 2HBC HEC 104 11.328 -4.374 3.583
871 HBC3 HEC 104 3HBC HEC 104 12.203 -2.902 3.162
872 HMD1 HEC 104 1HMD HEC 104 7.938 -7.776 1.039
873 HMD2 HEC 104 2HMD HEC 104 6.738 -8.642 1.998
874 HMD3 HEC 104 3HMD HEC 104 7.760 -7.421 2.758
875 HAD1 HEC 104 1HAD HEC 104 5.015 -8.791 0.456
876 HAD2 HEC 104 2HAD HEC 104 3.495 -7.961 0.204
877 HBD1 HEC 104 1HBD HEC 104 3.142 -8.168 2.734
878 HBD2 HEC 104 2HBD HEC 104 4.485 -9.311 2.707
Start of MODEL 16
1 H1 THR -5 H1 THR -5 -16.789 2.641 2.353
2 H2 THR -5 H2 THR -5 -15.617 3.789 2.798
3 H3 THR -5 H3 THR -5 -15.173 2.426 1.885
4 HA THR -5 HA THR -5 -15.801 3.329 -0.046
5 HB THR -5 HB THR -5 -17.877 4.752 -0.201
6 HG1 THR -5 HG1 THR -5 -17.510 5.092 2.286
7 HG21 THR -5 HG21 THR -5 -18.729 2.720 -0.658
8 HG22 THR -5 HG22 THR -5 -19.190 2.607 1.041
9 HG23 THR -5 HG23 THR -5 -17.646 1.947 0.500
10 H GLU -4 H GLU -4 -16.308 5.656 2.629
11 HA GLU -4 HA GLU -4 -14.646 7.613 1.102
12 HB2 GLU -4 HB2 GLU -4 -16.546 8.054 3.427
13 HB3 GLU -4 HB3 GLU -4 -15.647 9.319 2.589
14 HG2 GLU -4 HG2 GLU -4 -17.656 7.460 1.281
15 HG3 GLU -4 HG3 GLU -4 -17.979 9.129 1.751
16 H PHE -3 H PHE -3 -12.910 8.672 2.203
17 HA PHE -3 HA PHE -3 -12.171 7.559 4.858
18 HB2 PHE -3 HB2 PHE -3 -9.865 7.192 4.114
19 HB3 PHE -3 HB3 PHE -3 -10.973 6.260 3.107
20 HD1 PHE -3 HD1 PHE -3 -11.590 7.084 0.827
21 HD2 PHE -3 HD2 PHE -3 -8.559 8.985 3.203
22 HE1 PHE -3 HE1 PHE -3 -10.734 8.242 -1.191
23 HE2 PHE -3 HE2 PHE -3 -7.703 10.145 1.185
24 HZ PHE -3 HZ PHE -3 -8.791 9.772 -1.013
25 H LYS -2 H LYS -2 -10.504 8.917 5.948
26 HA LYS -2 HA LYS -2 -11.073 11.742 5.536
27 HB2 LYS -2 HB2 LYS -2 -10.694 10.696 7.794
28 HB3 LYS -2 HB3 LYS -2 -9.002 10.475 7.356
29 HG2 LYS -2 HG2 LYS -2 -8.970 12.514 8.520
30 HG3 LYS -2 HG3 LYS -2 -9.048 13.031 6.836
31 HD2 LYS -2 HD2 LYS -2 -11.428 13.423 6.992
32 HD3 LYS -2 HD3 LYS -2 -11.492 12.688 8.594
33 HE2 LYS -2 HE2 LYS -2 -11.495 15.154 8.742
34 HE3 LYS -2 HE3 LYS -2 -10.043 14.473 9.478
35 HZ1 LYS -2 HZ1 LYS -2 -8.795 15.587 8.051
36 HZ2 LYS -2 HZ2 LYS -2 -10.187 16.339 7.431
37 HZ3 LYS -2 HZ3 LYS -2 -9.607 14.906 6.726
38 H ALA -1 H ALA -1 -9.826 13.205 4.435
39 HA ALA -1 HA ALA -1 -7.285 12.192 3.249
40 HB1 ALA -1 HB1 ALA -1 -9.328 14.204 2.326
41 HB2 ALA -1 HB2 ALA -1 -8.715 12.786 1.473
42 HB3 ALA -1 HB3 ALA -1 -7.691 14.208 1.668
43 H GLY 1 H GLY 1 -6.145 14.614 2.522
44 HA2 GLY 1 HA2 GLY 1 -6.098 16.540 4.667
45 HA3 GLY 1 HA3 GLY 1 -4.740 15.423 4.809
46 H SER 2 H SER 2 -3.358 15.196 2.822
47 HA SER 2 HA SER 2 -3.489 17.464 0.946
48 HB2 SER 2 HB2 SER 2 -2.054 18.011 3.054
49 HB3 SER 2 HB3 SER 2 -0.894 16.894 2.347
50 HG SER 2 HG SER 2 -0.456 18.956 1.601
51 H ALA 3 H ALA 3 -3.454 16.362 -0.958
52 HA ALA 3 HA ALA 3 -2.331 13.742 -1.269
53 HB1 ALA 3 HB1 ALA 3 -3.273 13.827 -3.334
54 HB2 ALA 3 HB2 ALA 3 -2.531 15.383 -3.709
55 HB3 ALA 3 HB3 ALA 3 -4.011 15.319 -2.751
56 H LYS 4 H LYS 4 -1.035 16.977 -1.780
57 HA LYS 4 HA LYS 4 1.257 16.259 -3.306
58 HB2 LYS 4 HB2 LYS 4 2.244 18.379 -2.362
59 HB3 LYS 4 HB3 LYS 4 0.651 18.581 -3.090
60 HG2 LYS 4 HG2 LYS 4 0.123 17.908 -0.423
61 HG3 LYS 4 HG3 LYS 4 1.483 19.024 -0.334
62 HD2 LYS 4 HD2 LYS 4 -0.400 20.441 -0.306
63 HD3 LYS 4 HD3 LYS 4 0.114 20.483 -1.992
64 HE2 LYS 4 HE2 LYS 4 -1.570 18.854 -2.609
65 HE3 LYS 4 HE3 LYS 4 -2.003 18.594 -0.919
66 HZ1 LYS 4 HZ1 LYS 4 -3.426 20.178 -2.330
67 HZ2 LYS 4 HZ2 LYS 4 -2.159 21.287 -2.110
68 HZ3 LYS 4 HZ3 LYS 4 -2.987 20.663 -0.765
69 H LYS 5 H LYS 5 0.881 16.544 0.254
70 HA LYS 5 HA LYS 5 3.569 15.802 0.861
71 HB2 LYS 5 HB2 LYS 5 1.030 15.476 2.465
72 HB3 LYS 5 HB3 LYS 5 2.650 15.258 3.112
73 HG2 LYS 5 HG2 LYS 5 3.194 17.598 2.432
74 HG3 LYS 5 HG3 LYS 5 1.517 17.803 1.922
75 HD2 LYS 5 HD2 LYS 5 0.787 17.224 4.241
76 HD3 LYS 5 HD3 LYS 5 2.483 17.169 4.726
77 HE2 LYS 5 HE2 LYS 5 2.787 19.499 4.227
78 HE3 LYS 5 HE3 LYS 5 1.213 19.597 3.439
79 HZ1 LYS 5 HZ1 LYS 5 1.810 20.000 6.131
80 HZ2 LYS 5 HZ2 LYS 5 0.873 18.586 6.035
81 HZ3 LYS 5 HZ3 LYS 5 0.289 20.041 5.383
82 H GLY 6 H GLY 6 0.595 13.888 0.550
83 HA2 GLY 6 HA2 GLY 6 1.717 11.372 1.271
84 HA3 GLY 6 HA3 GLY 6 0.293 11.582 0.255
85 H ALA 7 H ALA 7 1.699 13.149 -1.771
86 HA ALA 7 HA ALA 7 2.529 11.040 -3.479
87 HB1 ALA 7 HB1 ALA 7 1.828 13.505 -4.025
88 HB2 ALA 7 HB2 ALA 7 3.004 12.695 -5.062
89 HB3 ALA 7 HB3 ALA 7 3.550 13.842 -3.839
90 H THR 8 H THR 8 4.464 13.332 -1.549
91 HA THR 8 HA THR 8 6.969 12.160 -2.421
92 HB THR 8 HB THR 8 8.000 13.636 -0.846
93 HG1 THR 8 HG1 THR 8 5.506 14.340 0.221
94 HG21 THR 8 HG21 THR 8 7.075 15.763 -1.512
95 HG22 THR 8 HG22 THR 8 5.504 15.029 -1.834
96 HG23 THR 8 HG23 THR 8 6.885 14.647 -2.864
97 H LEU 9 H LEU 9 4.770 11.619 0.289
98 HA LEU 9 HA LEU 9 6.503 10.175 1.998
99 HB2 LEU 9 HB2 LEU 9 3.548 9.847 1.437
100 HB3 LEU 9 HB3 LEU 9 4.384 8.936 2.691
101 HG LEU 9 HG LEU 9 4.426 11.960 2.524
102 HD11 LEU 9 HD11 LEU 9 2.347 11.984 3.381
103 HD12 LEU 9 HD12 LEU 9 2.915 11.025 4.748
104 HD13 LEU 9 HD13 LEU 9 2.285 10.222 3.309
105 HD21 LEU 9 HD21 LEU 9 6.206 11.389 3.902
106 HD22 LEU 9 HD22 LEU 9 5.454 9.883 4.428
107 HD23 LEU 9 HD23 LEU 9 4.900 11.421 5.086
108 H PHE 10 H PHE 10 4.546 9.018 -0.737
109 HA PHE 10 HA PHE 10 5.386 6.285 -0.515
110 HB2 PHE 10 HB2 PHE 10 3.404 7.003 -1.839
111 HB3 PHE 10 HB3 PHE 10 4.488 7.786 -2.993
112 HD1 PHE 10 HD2 PHE 10 6.235 6.368 -4.187
113 HD2 PHE 10 HD1 PHE 10 2.972 4.665 -1.969
114 HE1 PHE 10 HE2 PHE 10 6.562 4.211 -5.363
115 HE2 PHE 10 HE1 PHE 10 3.300 2.504 -3.147
116 HZ PHE 10 HZ PHE 10 5.097 2.279 -4.849
117 H LYS 11 H LYS 11 6.598 9.032 -2.415
118 HA LYS 11 HA LYS 11 8.590 7.602 -3.830
119 HB2 LYS 11 HB2 LYS 11 8.502 10.504 -2.985
120 HB3 LYS 11 HB3 LYS 11 9.659 9.840 -4.133
121 HG2 LYS 11 HG2 LYS 11 7.742 9.059 -5.539
122 HG3 LYS 11 HG3 LYS 11 6.651 9.884 -4.429
123 HD2 LYS 11 HD2 LYS 11 7.864 12.019 -4.881
124 HD3 LYS 11 HD3 LYS 11 8.840 11.171 -6.081
125 HE2 LYS 11 HE2 LYS 11 7.174 11.971 -7.464
126 HE3 LYS 11 HE3 LYS 11 6.429 10.448 -6.979
127 HZ1 LYS 11 HZ1 LYS 11 5.822 12.277 -5.000
128 HZ2 LYS 11 HZ2 LYS 11 4.763 11.627 -6.160
129 HZ3 LYS 11 HZ3 LYS 11 5.567 13.093 -6.466
130 H THR 12 H THR 12 8.702 9.166 -0.649
131 HA THR 12 HA THR 12 11.553 8.417 -0.395
132 HB THR 12 HB THR 12 11.491 9.807 1.628
133 HG1 THR 12 HG1 THR 12 9.419 9.427 2.326
134 HG21 THR 12 HG21 THR 12 11.936 10.969 -0.435
135 HG22 THR 12 HG22 THR 12 10.833 11.969 0.511
136 HG23 THR 12 HG23 THR 12 10.218 11.011 -0.836
137 H ARG 13 H ARG 13 8.822 6.708 0.041
138 HA ARG 13 HA ARG 13 9.987 5.298 2.405
139 HB2 ARG 13 HB2 ARG 13 7.028 5.782 1.979
140 HB3 ARG 13 HB3 ARG 13 7.773 4.957 3.345
141 HG2 ARG 13 HG2 ARG 13 8.417 7.828 2.637
142 HG3 ARG 13 HG3 ARG 13 7.116 7.394 3.742
143 HD2 ARG 13 HD2 ARG 13 8.822 6.090 5.087
144 HD3 ARG 13 HD3 ARG 13 10.070 6.808 4.070
145 HE ARG 13 HE ARG 13 8.254 8.738 5.335
146 HH11 ARG 13 HH21 ARG 13 11.189 6.932 5.430
147 HH12 ARG 13 HH22 ARG 13 11.975 8.015 6.530
148 HH21 ARG 13 HH11 ARG 13 9.264 10.163 6.770
149 HH22 ARG 13 HH12 ARG 13 10.886 9.843 7.288
150 H CYS 14 H CYS 14 7.183 4.830 0.221
151 HA CYS 14 HA CYS 14 7.608 1.975 0.158
152 HB2 CYS 14 HB2 CYS 14 6.060 3.348 -1.984
153 HB3 CYS 14 HB3 CYS 14 5.689 1.859 -1.126
154 H LEU 15 H LEU 15 8.728 4.618 -1.859
155 HA LEU 15 HA LEU 15 9.403 3.201 -4.203
156 HB2 LEU 15 HB2 LEU 15 9.623 5.658 -3.923
157 HB3 LEU 15 HB3 LEU 15 11.036 5.394 -2.906
158 HG LEU 15 HG LEU 15 12.072 4.128 -4.835
159 HD11 LEU 15 HD11 LEU 15 9.503 5.032 -6.097
160 HD12 LEU 15 HD12 LEU 15 10.346 3.494 -6.264
161 HD13 LEU 15 HD13 LEU 15 10.955 4.928 -7.090
162 HD21 LEU 15 HD21 LEU 15 11.618 6.986 -4.547
163 HD22 LEU 15 HD22 LEU 15 11.891 6.551 -6.233
164 HD23 LEU 15 HD23 LEU 15 13.091 6.134 -5.010
165 H GLN 16 H GLN 16 11.103 3.391 -1.110
166 HA GLN 16 HA GLN 16 13.555 2.225 -1.881
167 HB2 GLN 16 HB2 GLN 16 12.026 1.940 0.722
168 HB3 GLN 16 HB3 GLN 16 13.712 1.473 0.498
169 HG2 GLN 16 HG2 GLN 16 14.294 3.780 -0.108
170 HG3 GLN 16 HG3 GLN 16 12.605 4.262 0.059
171 HE21 GLN 16 HE21 GLN 16 14.621 5.481 1.671
172 HE22 GLN 16 HE22 GLN 16 14.392 4.999 3.282
173 H CYS 17 H CYS 17 10.451 0.668 -1.101
174 HA CYS 17 HA CYS 17 11.703 -1.942 -1.865
175 HB2 CYS 17 HB2 CYS 17 9.293 -1.421 -0.121
176 HB3 CYS 17 HB3 CYS 17 9.916 -3.013 -0.539
177 H HIS 18 H HIS 18 8.650 -0.094 -2.131
178 HA HIS 18 HA HIS 18 7.851 -1.889 -4.357
179 HB2 HIS 18 HB2 HIS 18 6.331 0.406 -3.097
180 HB3 HIS 18 HB3 HIS 18 5.696 -0.717 -4.293
181 HD1 HIS 18 HD1 HIS 18 5.627 -3.327 -3.467
182 HD2 HIS 18 HD2 HIS 18 6.053 -0.423 -0.513
183 HE1 HIS 18 HE1 HIS 18 4.897 -4.406 -1.283
184 H THR 19 H THR 19 7.315 -1.077 -6.417
185 HA THR 19 HA THR 19 8.256 1.695 -7.015
186 HB THR 19 HB THR 19 8.549 -0.687 -8.851
187 HG1 THR 19 HG1 THR 19 10.748 0.584 -7.739
188 HG21 THR 19 HG21 THR 19 9.799 0.781 -10.253
189 HG22 THR 19 HG22 THR 19 9.878 2.018 -8.998
190 HG23 THR 19 HG23 THR 19 8.346 1.670 -9.798
191 H VAL 20 H VAL 20 6.608 2.877 -7.947
192 HA VAL 20 HA VAL 20 4.053 1.626 -8.440
193 HB VAL 20 HB VAL 20 3.398 3.871 -9.323
194 HG11 VAL 20 HG11 VAL 20 4.110 3.137 -6.725
195 HG12 VAL 20 HG12 VAL 20 3.114 4.518 -7.183
196 HG13 VAL 20 HG13 VAL 20 4.850 4.722 -6.950
197 HG21 VAL 20 HG21 VAL 20 6.323 4.124 -9.427
198 HG22 VAL 20 HG22 VAL 20 5.530 5.494 -8.646
199 HG23 VAL 20 HG23 VAL 20 5.085 5.038 -10.291
200 H GLU 21 H GLU 21 6.821 2.350 -10.448
201 HA GLU 21 HA GLU 21 5.592 2.342 -13.005
202 HB2 GLU 21 HB2 GLU 21 8.303 1.256 -12.184
203 HB3 GLU 21 HB3 GLU 21 7.803 1.572 -13.846
204 HG2 GLU 21 HG2 GLU 21 7.419 3.953 -13.259
205 HG3 GLU 21 HG3 GLU 21 7.986 3.624 -11.623
206 H LYS 22 H LYS 22 5.013 0.662 -14.408
207 HA LYS 22 HA LYS 22 4.246 -1.842 -13.159
208 HB2 LYS 22 HB2 LYS 22 2.997 -0.732 -15.049
209 HB3 LYS 22 HB3 LYS 22 4.324 -1.190 -16.118
210 HG2 LYS 22 HG2 LYS 22 3.974 -3.571 -15.500
211 HG3 LYS 22 HG3 LYS 22 2.603 -3.092 -14.499
212 HD2 LYS 22 HD2 LYS 22 1.543 -2.077 -16.533
213 HD3 LYS 22 HD3 LYS 22 2.864 -2.739 -17.498
214 HE2 LYS 22 HE2 LYS 22 1.188 -4.488 -15.695
215 HE3 LYS 22 HE3 LYS 22 0.712 -4.144 -17.358
216 HZ1 LYS 22 HZ1 LYS 22 3.464 -4.904 -17.120
217 HZ2 LYS 22 HZ2 LYS 22 2.255 -5.514 -18.147
218 HZ3 LYS 22 HZ3 LYS 22 2.411 -6.112 -16.565
219 H GLY 23 H GLY 23 5.347 -3.772 -13.169
220 HA2 GLY 23 HA2 GLY 23 6.987 -5.368 -13.754
221 HA3 GLY 23 HA3 GLY 23 7.438 -4.342 -15.116
222 H GLY 24 H GLY 24 7.319 -3.321 -11.734
223 HA2 GLY 24 HA2 GLY 24 9.854 -2.045 -11.836
224 HA3 GLY 24 HA3 GLY 24 9.012 -2.471 -10.348
225 HA PRO 25 HA PRO 25 12.743 -5.349 -11.400
226 HB2 PRO 25 HB2 PRO 25 14.668 -4.167 -9.833
227 HB3 PRO 25 HB3 PRO 25 14.456 -3.837 -11.561
228 HG2 PRO 25 HG2 PRO 25 13.580 -2.247 -9.210
229 HG3 PRO 25 HG3 PRO 25 14.206 -1.703 -10.776
230 HD2 PRO 25 HD2 PRO 25 11.546 -1.647 -10.142
231 HD3 PRO 25 HD3 PRO 25 12.141 -1.846 -11.805
232 H HIS 26 H HIS 26 11.184 -4.089 -8.597
233 HA HIS 26 HA HIS 26 10.834 -5.003 -6.460
234 HB2 HIS 26 HB2 HIS 26 11.775 -7.591 -7.737
235 HB3 HIS 26 HB3 HIS 26 10.784 -7.425 -6.295
236 HD1 HIS 26 HD1 HIS 26 8.567 -5.634 -7.003
237 HD2 HIS 26 HD2 HIS 26 10.116 -8.341 -9.763
238 HE1 HIS 26 HE1 HIS 26 6.756 -6.004 -8.739
239 HE2 HIS 26 HE2 HIS 26 7.707 -7.616 -10.449
240 H LYS 27 H LYS 27 13.229 -3.691 -6.695
241 HA LYS 27 HA LYS 27 15.612 -5.098 -6.232
242 HB2 LYS 27 HB2 LYS 27 15.471 -2.639 -6.544
243 HB3 LYS 27 HB3 LYS 27 14.767 -2.491 -4.933
244 HG2 LYS 27 HG2 LYS 27 16.799 -3.528 -3.966
245 HG3 LYS 27 HG3 LYS 27 17.509 -3.614 -5.579
246 HD2 LYS 27 HD2 LYS 27 17.243 -1.121 -5.757
247 HD3 LYS 27 HD3 LYS 27 16.721 -1.104 -4.072
248 HE2 LYS 27 HE2 LYS 27 18.865 -2.115 -3.392
249 HE3 LYS 27 HE3 LYS 27 19.389 -2.140 -5.076
250 HZ1 LYS 27 HZ1 LYS 27 18.838 0.368 -4.970
251 HZ2 LYS 27 HZ2 LYS 27 20.300 -0.192 -4.306
252 HZ3 LYS 27 HZ3 LYS 27 18.983 0.164 -3.292
253 H VAL 28 H VAL 28 13.152 -4.095 -3.852
254 HA VAL 28 HA VAL 28 14.511 -5.874 -1.865
255 HB VAL 28 HB VAL 28 12.491 -3.883 -0.981
256 HG11 VAL 28 HG11 VAL 28 15.177 -4.825 0.058
257 HG12 VAL 28 HG12 VAL 28 13.595 -5.362 0.622
258 HG13 VAL 28 HG13 VAL 28 14.110 -3.699 0.897
259 HG21 VAL 28 HG21 VAL 28 13.786 -2.561 -2.579
260 HG22 VAL 28 HG22 VAL 28 15.294 -3.162 -1.891
261 HG23 VAL 28 HG23 VAL 28 14.250 -2.106 -0.939
262 H GLY 29 H GLY 29 11.215 -4.576 -2.378
263 HA2 GLY 29 HA2 GLY 29 10.198 -7.375 -2.066
264 HA3 GLY 29 HA3 GLY 29 9.412 -6.011 -1.269
265 HA PRO 30 HA PRO 30 7.592 -7.214 -5.588
266 HB2 PRO 30 HB2 PRO 30 5.090 -6.772 -4.175
267 HB3 PRO 30 HB3 PRO 30 5.644 -8.230 -5.001
268 HG2 PRO 30 HG2 PRO 30 5.624 -7.619 -2.181
269 HG3 PRO 30 HG3 PRO 30 5.968 -9.156 -2.986
270 HD2 PRO 30 HD2 PRO 30 7.850 -7.643 -1.634
271 HD3 PRO 30 HD3 PRO 30 8.239 -8.825 -2.902
272 H ASN 31 H ASN 31 6.686 -5.659 -6.983
273 HA ASN 31 HA ASN 31 6.516 -2.907 -5.855
274 HB2 ASN 31 HB2 ASN 31 6.755 -3.745 -8.755
275 HB3 ASN 31 HB3 ASN 31 6.955 -2.123 -8.096
276 HD21 ASN 31 HD21 ASN 31 8.442 -3.016 -5.700
277 HD22 ASN 31 HD22 ASN 31 9.984 -3.479 -6.242
278 H LEU 32 H LEU 32 4.491 -2.185 -5.505
279 HA LEU 32 HA LEU 32 2.254 -3.457 -6.974
280 HB2 LEU 32 HB2 LEU 32 2.138 -1.569 -4.621
281 HB3 LEU 32 HB3 LEU 32 0.856 -2.608 -5.222
282 HG LEU 32 HG LEU 32 3.416 -3.435 -3.851
283 HD11 LEU 32 HD11 LEU 32 0.591 -4.306 -3.253
284 HD12 LEU 32 HD12 LEU 32 1.242 -2.799 -2.603
285 HD13 LEU 32 HD13 LEU 32 1.999 -4.338 -2.191
286 HD21 LEU 32 HD21 LEU 32 2.472 -5.800 -4.268
287 HD22 LEU 32 HD22 LEU 32 3.260 -5.003 -5.626
288 HD23 LEU 32 HD23 LEU 32 1.500 -5.054 -5.536
289 H HIS 33 H HIS 33 0.659 -2.200 -7.996
290 HA HIS 33 HA HIS 33 0.743 0.672 -8.144
291 HB2 HIS 33 HB2 HIS 33 2.763 0.123 -9.498
292 HB3 HIS 33 HB3 HIS 33 1.758 -0.860 -10.553
293 HD1 HIS 33 HD1 HIS 33 1.727 2.731 -9.234
294 HD2 HIS 33 HD2 HIS 33 0.812 0.595 -12.699
295 HE1 HIS 33 HE1 HIS 33 1.003 4.439 -10.962
296 HE2 HIS 33 HE2 HIS 33 0.445 3.150 -13.073
297 H GLY 34 H GLY 34 -1.489 0.653 -7.971
298 HA2 GLY 34 HA2 GLY 34 -3.588 0.780 -9.133
299 HA3 GLY 34 HA3 GLY 34 -2.948 -0.318 -10.356
300 H ILE 35 H ILE 35 -2.177 -1.490 -7.277
301 HA ILE 35 HA ILE 35 -3.854 -3.781 -7.571
302 HB ILE 35 HB ILE 35 -3.158 -4.423 -5.360
303 HG12 ILE 35 HG12 ILE 35 -2.279 -1.537 -4.991
304 HG13 ILE 35 HG13 ILE 35 -3.662 -2.292 -4.200
305 HG21 ILE 35 HG21 ILE 35 -0.747 -4.192 -5.548
306 HG22 ILE 35 HG22 ILE 35 -0.932 -2.801 -6.619
307 HG23 ILE 35 HG23 ILE 35 -1.433 -4.403 -7.159
308 HD11 ILE 35 HD11 ILE 35 -2.210 -2.814 -2.546
309 HD12 ILE 35 HD12 ILE 35 -0.805 -2.518 -3.569
310 HD13 ILE 35 HD13 ILE 35 -1.639 -4.070 -3.642
311 H PHE 36 H PHE 36 -4.604 -0.621 -6.677
312 HA PHE 36 HA PHE 36 -6.643 -0.993 -4.728
313 HB2 PHE 36 HB2 PHE 36 -6.280 1.023 -6.959
314 HB3 PHE 36 HB3 PHE 36 -7.646 1.099 -5.849
315 HD1 PHE 36 HD2 PHE 36 -3.882 0.766 -5.770
316 HD2 PHE 36 HD1 PHE 36 -7.426 2.333 -3.895
317 HE1 PHE 36 HE2 PHE 36 -2.488 1.943 -4.094
318 HE2 PHE 36 HE1 PHE 36 -6.027 3.518 -2.234
319 HZ PHE 36 HZ PHE 36 -3.557 3.314 -2.326
320 H GLY 37 H GLY 37 -8.435 -2.273 -4.949
321 HA2 GLY 37 HA2 GLY 37 -10.497 -2.910 -6.020
322 HA3 GLY 37 HA3 GLY 37 -9.867 -2.280 -7.545
323 H ARG 38 H ARG 38 -7.528 -4.129 -5.941
324 HA ARG 38 HA ARG 38 -8.186 -6.492 -7.654
325 HB2 ARG 38 HB2 ARG 38 -5.515 -5.392 -6.751
326 HB3 ARG 38 HB3 ARG 38 -5.699 -6.986 -7.473
327 HG2 ARG 38 HG2 ARG 38 -6.730 -4.504 -8.848
328 HG3 ARG 38 HG3 ARG 38 -5.064 -5.047 -9.042
329 HD2 ARG 38 HD2 ARG 38 -6.004 -7.320 -9.707
330 HD3 ARG 38 HD3 ARG 38 -7.588 -6.548 -9.789
331 HE ARG 38 HE ARG 38 -6.897 -5.414 -11.755
332 HH11 ARG 38 HH21 ARG 38 -4.301 -6.981 -10.114
333 HH12 ARG 38 HH22 ARG 38 -3.172 -6.757 -11.408
334 HH21 ARG 38 HH11 ARG 38 -5.438 -5.112 -13.454
335 HH22 ARG 38 HH12 ARG 38 -3.816 -5.699 -13.299
336 H HIS 39 H HIS 39 -7.169 -8.555 -6.754
337 HA HIS 39 HA HIS 39 -7.974 -8.776 -3.923
338 HB2 HIS 39 HB2 HIS 39 -7.486 -10.718 -6.154
339 HB3 HIS 39 HB3 HIS 39 -7.482 -11.276 -4.484
340 HD1 HIS 39 HD1 HIS 39 -9.712 -9.075 -6.659
341 HD2 HIS 39 HD2 HIS 39 -10.046 -11.916 -3.635
342 HE1 HIS 39 HE1 HIS 39 -12.189 -9.450 -6.306
343 HE2 HIS 39 HE2 HIS 39 -12.405 -11.173 -4.458
344 H SER 40 H SER 40 -6.560 -9.276 -2.281
345 HA SER 40 HA SER 40 -3.850 -8.573 -2.482
346 HB2 SER 40 HB2 SER 40 -5.477 -10.135 -0.540
347 HB3 SER 40 HB3 SER 40 -3.732 -10.321 -0.441
348 HG SER 40 HG SER 40 -4.511 -8.574 0.829
349 H GLY 41 H GLY 41 -2.015 -9.686 -3.049
350 HA2 GLY 41 HA2 GLY 41 -0.752 -11.728 -3.388
351 HA3 GLY 41 HA3 GLY 41 -2.267 -12.588 -3.616
352 H GLN 42 H GLN 42 -2.636 -9.769 -5.318
353 HA GLN 42 HA GLN 42 -1.817 -11.174 -7.817
354 HB2 GLN 42 HB2 GLN 42 -3.716 -8.856 -7.368
355 HB3 GLN 42 HB3 GLN 42 -3.352 -9.577 -8.939
356 HG2 GLN 42 HG2 GLN 42 -4.157 -11.756 -8.148
357 HG3 GLN 42 HG3 GLN 42 -4.486 -11.070 -6.558
358 HE21 GLN 42 HE21 GLN 42 -6.570 -12.241 -8.170
359 HE22 GLN 42 HE22 GLN 42 -7.643 -11.006 -8.622
360 H ALA 43 H ALA 43 0.057 -10.564 -8.681
361 HA ALA 43 HA ALA 43 0.702 -7.766 -9.125
362 HB1 ALA 43 HB1 ALA 43 1.614 -7.654 -6.971
363 HB2 ALA 43 HB2 ALA 43 3.014 -8.139 -7.928
364 HB3 ALA 43 HB3 ALA 43 2.122 -9.343 -6.992
365 H GLU 44 H GLU 44 1.168 -8.105 -11.256
366 HA GLU 44 HA GLU 44 2.297 -10.481 -12.348
367 HB2 GLU 44 HB2 GLU 44 2.305 -7.644 -13.427
368 HB3 GLU 44 HB3 GLU 44 2.733 -9.075 -14.365
369 HG2 GLU 44 HG2 GLU 44 0.479 -10.019 -13.913
370 HG3 GLU 44 HG3 GLU 44 0.054 -8.542 -13.048
371 H GLY 45 H GLY 45 3.757 -7.479 -11.169
372 HA2 GLY 45 HA2 GLY 45 6.404 -7.928 -12.094
373 HA3 GLY 45 HA3 GLY 45 5.996 -7.010 -10.640
374 H TYR 46 H TYR 46 4.742 -9.031 -9.142
375 HA TYR 46 HA TYR 46 6.316 -11.428 -9.044
376 HB2 TYR 46 HB2 TYR 46 8.129 -10.202 -8.170
377 HB3 TYR 46 HB3 TYR 46 7.073 -9.156 -7.220
378 HD1 TYR 46 HD1 TYR 46 7.305 -12.885 -7.590
379 HD2 TYR 46 HD2 TYR 46 7.458 -9.509 -4.941
380 HE1 TYR 46 HE1 TYR 46 7.509 -14.414 -5.648
381 HE2 TYR 46 HE2 TYR 46 7.655 -11.030 -3.004
382 HH TYR 46 HH TYR 46 8.078 -13.173 -2.386
383 H SER 47 H SER 47 5.187 -12.945 -7.964
384 HA SER 47 HA SER 47 2.631 -12.303 -6.823
385 HB2 SER 47 HB2 SER 47 4.244 -14.834 -6.397
386 HB3 SER 47 HB3 SER 47 2.498 -14.651 -6.252
387 HG SER 47 HG SER 47 3.680 -13.881 -8.652
388 H TYR 48 H TYR 48 2.034 -12.146 -4.655
389 HA TYR 48 HA TYR 48 3.963 -11.107 -2.825
390 HB2 TYR 48 HB2 TYR 48 1.179 -12.189 -2.369
391 HB3 TYR 48 HB3 TYR 48 2.127 -11.383 -1.129
392 HD1 TYR 48 HD2 TYR 48 0.913 -10.867 -4.647
393 HD2 TYR 48 HD1 TYR 48 2.012 -9.063 -0.907
394 HE1 TYR 48 HE2 TYR 48 0.184 -8.662 -5.495
395 HE2 TYR 48 HE1 TYR 48 1.286 -6.854 -1.761
396 HH TYR 48 HH TYR 48 -0.619 -6.232 -3.838
397 H THR 49 H THR 49 3.417 -12.352 -0.390
398 HA THR 49 HA THR 49 5.198 -14.657 -0.544
399 HB THR 49 HB THR 49 3.643 -13.576 1.826
400 HG1 THR 49 HG1 THR 49 6.083 -12.890 2.075
401 HG21 THR 49 HG21 THR 49 6.096 -15.346 1.640
402 HG22 THR 49 HG22 THR 49 4.486 -15.864 2.138
403 HG23 THR 49 HG23 THR 49 5.395 -14.727 3.135
404 H ASP 50 H ASP 50 4.640 -16.828 -0.051
405 HA ASP 50 HA ASP 50 2.241 -17.848 -1.047
406 HB2 ASP 50 HB2 ASP 50 4.302 -19.173 -0.439
407 HB3 ASP 50 HB3 ASP 50 3.786 -19.087 1.246
408 H ALA 51 H ALA 51 2.939 -16.824 2.299
409 HA ALA 51 HA ALA 51 0.443 -17.728 3.396
410 HB1 ALA 51 HB1 ALA 51 0.961 -16.345 5.294
411 HB2 ALA 51 HB2 ALA 51 2.037 -15.330 4.334
412 HB3 ALA 51 HB3 ALA 51 2.494 -16.992 4.707
413 H ASN 52 H ASN 52 1.471 -14.478 2.345
414 HA ASN 52 HA ASN 52 -1.045 -13.203 2.609
415 HB2 ASN 52 HB2 ASN 52 1.051 -11.975 2.225
416 HB3 ASN 52 HB3 ASN 52 1.180 -12.680 0.614
417 HD21 ASN 52 HD21 ASN 52 1.159 -10.093 0.307
418 HD22 ASN 52 HD22 ASN 52 -0.370 -9.457 -0.063
419 H ILE 53 H ILE 53 0.380 -14.953 -0.141
420 HA ILE 53 HA ILE 53 -1.773 -14.469 -1.958
421 HB ILE 53 HB ILE 53 0.170 -16.777 -1.821
422 HG12 ILE 53 HG12 ILE 53 0.182 -14.289 -3.551
423 HG13 ILE 53 HG13 ILE 53 1.119 -14.450 -2.066
424 HG21 ILE 53 HG21 ILE 53 -1.777 -17.376 -3.167
425 HG22 ILE 53 HG22 ILE 53 -0.411 -17.050 -4.235
426 HG23 ILE 53 HG23 ILE 53 -1.681 -15.843 -4.032
427 HD11 ILE 53 HD11 ILE 53 2.246 -16.450 -3.014
428 HD12 ILE 53 HD12 ILE 53 2.513 -15.016 -4.006
429 HD13 ILE 53 HD13 ILE 53 1.340 -16.232 -4.512
430 H LYS 54 H LYS 54 -1.258 -16.948 0.519
431 HA LYS 54 HA LYS 54 -3.365 -18.705 -0.183
432 HB2 LYS 54 HB2 LYS 54 -1.734 -19.160 1.635
433 HB3 LYS 54 HB3 LYS 54 -2.492 -17.897 2.601
434 HG2 LYS 54 HG2 LYS 54 -4.641 -19.120 2.501
435 HG3 LYS 54 HG3 LYS 54 -3.851 -20.406 1.586
436 HD2 LYS 54 HD2 LYS 54 -2.249 -20.699 3.494
437 HD3 LYS 54 HD3 LYS 54 -3.200 -19.532 4.414
438 HE2 LYS 54 HE2 LYS 54 -4.172 -21.524 5.114
439 HE3 LYS 54 HE3 LYS 54 -5.209 -21.114 3.747
440 HZ1 LYS 54 HZ1 LYS 54 -3.856 -22.532 2.338
441 HZ2 LYS 54 HZ2 LYS 54 -4.483 -23.415 3.647
442 HZ3 LYS 54 HZ3 LYS 54 -2.856 -22.924 3.651
443 H LYS 55 H LYS 55 -3.379 -15.724 1.725
444 HA LYS 55 HA LYS 55 -6.346 -15.783 1.813
445 HB2 LYS 55 HB2 LYS 55 -4.276 -14.036 3.177
446 HB3 LYS 55 HB3 LYS 55 -6.012 -13.815 3.347
447 HG2 LYS 55 HG2 LYS 55 -6.189 -16.161 4.189
448 HG3 LYS 55 HG3 LYS 55 -4.432 -16.280 4.119
449 HD2 LYS 55 HD2 LYS 55 -4.278 -14.322 5.663
450 HD3 LYS 55 HD3 LYS 55 -6.037 -14.336 5.801
451 HE2 LYS 55 HE2 LYS 55 -4.167 -16.596 6.573
452 HE3 LYS 55 HE3 LYS 55 -5.055 -15.553 7.685
453 HZ1 LYS 55 HZ1 LYS 55 -7.097 -16.365 6.374
454 HZ2 LYS 55 HZ2 LYS 55 -6.400 -17.401 7.526
455 HZ3 LYS 55 HZ3 LYS 55 -6.088 -17.633 5.872
456 H ASN 56 H ASN 56 -7.414 -14.636 0.251
457 HA ASN 56 HA ASN 56 -5.994 -12.308 -0.977
458 HB2 ASN 56 HB2 ASN 56 -6.798 -12.933 -3.146
459 HB3 ASN 56 HB3 ASN 56 -6.053 -14.363 -2.444
460 HD21 ASN 56 HD21 ASN 56 -8.139 -14.416 -4.506
461 HD22 ASN 56 HD22 ASN 56 -9.486 -15.195 -3.826
462 H VAL 57 H VAL 57 -7.160 -10.459 -0.930
463 HA VAL 57 HA VAL 57 -10.115 -10.633 -0.707
464 HB VAL 57 HB VAL 57 -8.347 -8.870 0.998
465 HG11 VAL 57 HG11 VAL 57 -10.985 -9.104 2.009
466 HG12 VAL 57 HG12 VAL 57 -11.133 -8.760 0.286
467 HG13 VAL 57 HG13 VAL 57 -10.219 -7.668 1.328
468 HG21 VAL 57 HG21 VAL 57 -9.613 -10.406 2.780
469 HG22 VAL 57 HG22 VAL 57 -8.089 -10.912 2.048
470 HG23 VAL 57 HG23 VAL 57 -9.617 -11.541 1.429
471 H LEU 58 H LEU 58 -11.181 -9.086 -1.904
472 HA LEU 58 HA LEU 58 -9.861 -7.622 -3.924
473 HB2 LEU 58 HB2 LEU 58 -12.293 -8.040 -3.924
474 HB3 LEU 58 HB3 LEU 58 -12.475 -6.927 -2.568
475 HG LEU 58 HG LEU 58 -11.492 -5.107 -3.961
476 HD11 LEU 58 HD11 LEU 58 -10.154 -6.082 -5.589
477 HD12 LEU 58 HD12 LEU 58 -11.614 -5.780 -6.529
478 HD13 LEU 58 HD13 LEU 58 -11.292 -7.392 -5.892
479 HD21 LEU 58 HD21 LEU 58 -13.953 -6.604 -4.850
480 HD22 LEU 58 HD22 LEU 58 -13.459 -5.131 -5.686
481 HD23 LEU 58 HD23 LEU 58 -13.846 -5.082 -3.965
482 H TRP 59 H TRP 59 -9.073 -5.502 -4.022
483 HA TRP 59 HA TRP 59 -8.593 -4.279 -1.372
484 HB2 TRP 59 HB2 TRP 59 -7.195 -4.167 -4.015
485 HB3 TRP 59 HB3 TRP 59 -6.983 -2.841 -2.872
486 HD1 TRP 59 HD1 TRP 59 -5.403 -5.937 -3.748
487 HE1 TRP 59 HE1 TRP 59 -4.037 -6.911 -1.783
488 HE3 TRP 59 HE3 TRP 59 -7.334 -3.202 0.108
489 HZ2 TRP 59 HZ2 TRP 59 -3.820 -6.576 1.049
490 HZ3 TRP 59 HZ3 TRP 59 -6.545 -3.563 2.425
491 HH2 TRP 59 HH2 TRP 59 -4.792 -5.253 2.900
492 H ASP 60 H ASP 60 -9.162 -2.185 -0.905
493 HA ASP 60 HA ASP 60 -10.548 -0.582 -2.980
494 HB2 ASP 60 HB2 ASP 60 -12.270 -1.946 -1.736
495 HB3 ASP 60 HB3 ASP 60 -11.765 -1.130 -0.255
496 H GLU 61 H GLU 61 -10.770 1.707 -2.247
497 HA GLU 61 HA GLU 61 -8.400 2.735 -1.127
498 HB2 GLU 61 HB2 GLU 61 -11.170 3.976 -1.109
499 HB3 GLU 61 HB3 GLU 61 -9.657 4.850 -0.868
500 HG2 GLU 61 HG2 GLU 61 -8.896 4.154 -3.112
501 HG3 GLU 61 HG3 GLU 61 -10.416 3.292 -3.357
502 H ASN 62 H ASN 62 -11.470 1.891 0.436
503 HA ASN 62 HA ASN 62 -10.625 2.845 3.052
504 HB2 ASN 62 HB2 ASN 62 -13.035 2.557 2.236
505 HB3 ASN 62 HB3 ASN 62 -12.809 0.828 2.505
506 HD21 ASN 62 HD21 ASN 62 -14.731 1.787 4.103
507 HD22 ASN 62 HD22 ASN 62 -14.181 2.074 5.689
508 H ASN 63 H ASN 63 -10.914 -0.384 1.539
509 HA ASN 63 HA ASN 63 -10.017 -1.870 3.794
510 HB2 ASN 63 HB2 ASN 63 -9.764 -2.462 0.834
511 HB3 ASN 63 HB3 ASN 63 -9.476 -3.633 2.118
512 HD21 ASN 63 HD21 ASN 63 -11.558 -4.022 0.183
513 HD22 ASN 63 HD22 ASN 63 -13.056 -3.910 0.984
514 H MET 64 H MET 64 -8.210 -0.434 1.084
515 HA MET 64 HA MET 64 -5.663 -1.474 1.828
516 HB2 MET 64 HB2 MET 64 -6.465 1.018 0.317
517 HB3 MET 64 HB3 MET 64 -4.790 0.533 0.525
518 HG2 MET 64 HG2 MET 64 -5.535 -1.754 -0.424
519 HG3 MET 64 HG3 MET 64 -6.983 -0.904 -0.958
520 HE1 MET 64 HE1 MET 64 -2.691 -0.589 -2.392
521 HE2 MET 64 HE2 MET 64 -3.374 -1.521 -1.059
522 HE3 MET 64 HE3 MET 64 -3.032 0.196 -0.844
523 H SER 65 H SER 65 -7.426 1.420 2.857
524 HA SER 65 HA SER 65 -5.348 2.725 4.256
525 HB2 SER 65 HB2 SER 65 -7.688 3.604 3.897
526 HB3 SER 65 HB3 SER 65 -8.231 2.518 5.173
527 HG SER 65 HG SER 65 -6.422 4.690 5.329
528 H GLU 66 H GLU 66 -7.397 -0.002 5.219
529 HA GLU 66 HA GLU 66 -6.536 -0.119 7.946
530 HB2 GLU 66 HB2 GLU 66 -7.478 -2.330 6.094
531 HB3 GLU 66 HB3 GLU 66 -7.299 -2.492 7.842
532 HG2 GLU 66 HG2 GLU 66 -8.915 -0.627 8.155
533 HG3 GLU 66 HG3 GLU 66 -9.135 -0.552 6.406
534 H TYR 67 H TYR 67 -5.223 -1.547 4.959
535 HA TYR 67 HA TYR 67 -3.209 -3.119 6.279
536 HB2 TYR 67 HB2 TYR 67 -3.905 -3.446 3.902
537 HB3 TYR 67 HB3 TYR 67 -3.075 -1.945 3.491
538 HD1 TYR 67 HD1 TYR 67 -2.647 -5.433 4.611
539 HD2 TYR 67 HD2 TYR 67 -0.641 -1.777 3.568
540 HE1 TYR 67 HE1 TYR 67 -0.486 -6.645 4.519
541 HE2 TYR 67 HE2 TYR 67 1.520 -2.992 3.474
542 HH TYR 67 HH TYR 67 1.676 -6.510 4.033
543 H LEU 68 H LEU 68 -3.102 0.160 4.845
544 HA LEU 68 HA LEU 68 -0.368 0.670 5.211
545 HB2 LEU 68 HB2 LEU 68 -2.801 2.438 5.315
546 HB3 LEU 68 HB3 LEU 68 -1.204 3.106 5.640
547 HG LEU 68 HG LEU 68 -0.496 1.987 3.413
548 HD11 LEU 68 HD11 LEU 68 -2.349 1.691 1.806
549 HD12 LEU 68 HD12 LEU 68 -3.510 2.021 3.091
550 HD13 LEU 68 HD13 LEU 68 -2.501 0.576 3.164
551 HD21 LEU 68 HD21 LEU 68 -2.524 4.230 3.256
552 HD22 LEU 68 HD22 LEU 68 -1.171 3.936 2.164
553 HD23 LEU 68 HD23 LEU 68 -0.868 4.450 3.823
554 H THR 69 H THR 69 -2.962 0.688 7.607
555 HA THR 69 HA THR 69 -1.681 1.981 9.739
556 HB THR 69 HB THR 69 -3.306 -0.571 9.965
557 HG1 THR 69 HG1 THR 69 -3.983 2.070 9.353
558 HG21 THR 69 HG21 THR 69 -2.654 1.722 11.803
559 HG22 THR 69 HG22 THR 69 -2.414 -0.002 12.079
560 HG23 THR 69 HG23 THR 69 -4.042 0.674 12.085
561 H ASN 70 H ASN 70 -1.260 -1.286 8.481
562 HA ASN 70 HA ASN 70 1.301 -1.478 9.980
563 HB2 ASN 70 HB2 ASN 70 -0.613 -2.730 11.164
564 HB3 ASN 70 HB3 ASN 70 -0.596 -3.826 9.781
565 HD21 ASN 70 HD21 ASN 70 0.047 -5.133 12.028
566 HD22 ASN 70 HD22 ASN 70 1.726 -5.364 12.192
567 H HIS 71 H HIS 71 1.604 -4.276 9.017
568 HA HIS 71 HA HIS 71 1.645 -3.845 6.069
569 HB2 HIS 71 HB2 HIS 71 3.945 -3.870 7.782
570 HB3 HIS 71 HB3 HIS 71 3.977 -5.309 6.763
571 HD1 HIS 71 HD1 HIS 71 4.333 -1.620 6.665
572 HD2 HIS 71 HD2 HIS 71 3.989 -4.731 3.899
573 HE1 HIS 71 HE1 HIS 71 4.985 -0.656 4.414
574 H ALA 72 H ALA 72 0.402 -5.636 8.401
575 HA ALA 72 HA ALA 72 -0.036 -7.927 6.701
576 HB1 ALA 72 HB1 ALA 72 2.161 -8.631 7.335
577 HB2 ALA 72 HB2 ALA 72 1.040 -9.578 8.315
578 HB3 ALA 72 HB3 ALA 72 1.882 -8.201 9.023
579 H LYS 73 H LYS 73 -0.823 -5.935 9.233
580 HA LYS 73 HA LYS 73 -2.165 -7.609 11.082
581 HB2 LYS 73 HB2 LYS 73 -1.854 -5.129 11.331
582 HB3 LYS 73 HB3 LYS 73 -3.105 -4.891 10.110
583 HG2 LYS 73 HG2 LYS 73 -4.702 -6.159 11.527
584 HG3 LYS 73 HG3 LYS 73 -3.454 -6.321 12.762
585 HD2 LYS 73 HD2 LYS 73 -3.296 -3.817 12.844
586 HD3 LYS 73 HD3 LYS 73 -4.673 -3.739 11.745
587 HE2 LYS 73 HE2 LYS 73 -5.794 -5.334 13.525
588 HE3 LYS 73 HE3 LYS 73 -4.581 -4.644 14.602
589 HZ1 LYS 73 HZ1 LYS 73 -6.007 -2.749 12.933
590 HZ2 LYS 73 HZ2 LYS 73 -5.559 -2.638 14.568
591 HZ3 LYS 73 HZ3 LYS 73 -6.944 -3.516 14.121
592 H TYR 74 H TYR 74 -3.271 -6.230 7.995
593 HA TYR 74 HA TYR 74 -5.923 -7.329 8.110
594 HB2 TYR 74 HB2 TYR 74 -5.111 -5.516 6.524
595 HB3 TYR 74 HB3 TYR 74 -4.301 -6.786 5.607
596 HD1 TYR 74 HD2 TYR 74 -7.553 -5.396 6.631
597 HD2 TYR 74 HD1 TYR 74 -5.573 -8.443 4.342
598 HE1 TYR 74 HE2 TYR 74 -9.687 -5.916 5.479
599 HE2 TYR 74 HE1 TYR 74 -7.705 -8.964 3.190
600 HH TYR 74 HH TYR 74 -10.524 -6.949 3.541
601 H ILE 75 H ILE 75 -2.820 -8.530 6.929
602 HA ILE 75 HA ILE 75 -4.072 -11.223 6.564
603 HB ILE 75 HB ILE 75 -1.679 -11.183 5.093
604 HG12 ILE 75 HG12 ILE 75 -3.306 -8.715 4.441
605 HG13 ILE 75 HG13 ILE 75 -1.811 -8.665 5.375
606 HG21 ILE 75 HG21 ILE 75 -3.895 -12.271 4.563
607 HG22 ILE 75 HG22 ILE 75 -3.110 -11.490 3.192
608 HG23 ILE 75 HG23 ILE 75 -4.459 -10.695 4.007
609 HD11 ILE 75 HD11 ILE 75 -1.257 -8.231 3.058
610 HD12 ILE 75 HD12 ILE 75 -2.148 -9.661 2.534
611 HD13 ILE 75 HD13 ILE 75 -0.664 -9.840 3.471
612 HA PRO 76 HA PRO 76 -1.036 -11.359 10.086
613 HB2 PRO 76 HB2 PRO 76 -2.714 -13.742 10.676
614 HB3 PRO 76 HB3 PRO 76 -2.204 -12.429 11.752
615 HG2 PRO 76 HG2 PRO 76 -4.712 -12.630 10.840
616 HG3 PRO 76 HG3 PRO 76 -3.932 -11.067 11.135
617 HD2 PRO 76 HD2 PRO 76 -4.512 -12.421 8.536
618 HD3 PRO 76 HD3 PRO 76 -4.441 -10.686 8.917
619 H GLY 77 H GLY 77 0.790 -12.655 10.195
620 HA2 GLY 77 HA2 GLY 77 2.117 -14.607 9.815
621 HA3 GLY 77 HA3 GLY 77 0.799 -15.286 8.857
622 H THR 78 H THR 78 1.289 -12.090 7.970
623 HA THR 78 HA THR 78 2.682 -12.976 5.516
624 HB THR 78 HB THR 78 1.120 -10.495 6.233
625 HG1 THR 78 HG1 THR 78 -0.197 -12.045 5.516
626 HG21 THR 78 HG21 THR 78 2.896 -11.021 3.843
627 HG22 THR 78 HG22 THR 78 2.954 -9.648 4.950
628 HG23 THR 78 HG23 THR 78 1.605 -9.821 3.827
629 H LYS 79 H LYS 79 4.394 -11.495 4.636
630 HA LYS 79 HA LYS 79 6.490 -11.108 6.547
631 HB2 LYS 79 HB2 LYS 79 6.150 -9.999 3.751
632 HB3 LYS 79 HB3 LYS 79 7.657 -9.963 4.666
633 HG2 LYS 79 HG2 LYS 79 7.567 -12.456 4.819
634 HG3 LYS 79 HG3 LYS 79 6.135 -12.434 3.788
635 HD2 LYS 79 HD2 LYS 79 7.499 -11.183 2.068
636 HD3 LYS 79 HD3 LYS 79 8.920 -11.482 3.071
637 HE2 LYS 79 HE2 LYS 79 7.515 -13.951 2.768
638 HE3 LYS 79 HE3 LYS 79 7.711 -13.232 1.170
639 HZ1 LYS 79 HZ1 LYS 79 9.597 -14.662 1.990
640 HZ2 LYS 79 HZ2 LYS 79 9.941 -13.430 3.108
641 HZ3 LYS 79 HZ3 LYS 79 10.025 -13.116 1.440
642 H MET 80 H MET 80 7.382 -9.148 7.360
643 HA MET 80 HA MET 80 5.755 -6.684 6.993
644 HB2 MET 80 HB2 MET 80 6.588 -7.856 9.662
645 HB3 MET 80 HB3 MET 80 5.871 -6.259 9.446
646 HG2 MET 80 HG2 MET 80 3.893 -7.359 8.366
647 HG3 MET 80 HG3 MET 80 4.593 -8.925 8.778
648 HE1 MET 80 HE1 MET 80 5.510 -9.456 10.922
649 HE2 MET 80 HE2 MET 80 4.693 -9.177 12.458
650 HE3 MET 80 HE3 MET 80 5.904 -8.030 11.892
651 H ALA 81 H ALA 81 6.972 -4.707 7.626
652 HA ALA 81 HA ALA 81 9.581 -4.556 8.560
653 HB1 ALA 81 HB1 ALA 81 10.664 -4.348 6.104
654 HB2 ALA 81 HB2 ALA 81 9.441 -5.572 5.769
655 HB3 ALA 81 HB3 ALA 81 10.658 -5.860 7.012
656 H PHE 82 H PHE 82 8.078 -2.617 9.016
657 HA PHE 82 HA PHE 82 8.790 -0.480 7.074
658 HB2 PHE 82 HB2 PHE 82 6.461 -1.025 6.544
659 HB3 PHE 82 HB3 PHE 82 6.014 -0.859 8.245
660 HD1 PHE 82 HD2 PHE 82 7.491 1.000 5.363
661 HD2 PHE 82 HD1 PHE 82 5.488 1.258 9.154
662 HE1 PHE 82 HE2 PHE 82 7.241 3.449 5.065
663 HE2 PHE 82 HE1 PHE 82 5.252 3.702 8.866
664 HZ PHE 82 HZ PHE 82 6.124 4.802 6.817
665 H GLY 83 H GLY 83 6.566 0.006 9.719
666 HA2 GLY 83 HA2 GLY 83 8.379 0.586 11.817
667 HA3 GLY 83 HA3 GLY 83 8.153 2.071 10.891
668 H GLY 84 H GLY 84 6.158 3.161 11.032
669 HA2 GLY 84 HA2 GLY 84 3.889 1.882 12.384
670 HA3 GLY 84 HA3 GLY 84 4.657 3.168 13.314
671 H LEU 85 H LEU 85 3.176 2.527 10.125
672 HA LEU 85 HA LEU 85 2.817 5.375 9.570
673 HB2 LEU 85 HB2 LEU 85 2.953 3.257 7.936
674 HB3 LEU 85 HB3 LEU 85 1.204 3.289 8.165
675 HG LEU 85 HG LEU 85 1.245 5.737 7.566
676 HD11 LEU 85 HD11 LEU 85 3.252 6.756 7.508
677 HD12 LEU 85 HD12 LEU 85 3.650 5.799 6.081
678 HD13 LEU 85 HD13 LEU 85 4.078 5.213 7.684
679 HD21 LEU 85 HD21 LEU 85 0.619 4.873 5.584
680 HD22 LEU 85 HD22 LEU 85 1.597 3.430 5.860
681 HD23 LEU 85 HD23 LEU 85 2.317 4.854 5.108
682 H LYS 86 H LYS 86 1.573 3.831 11.981
683 HA LYS 86 HA LYS 86 -1.228 3.753 11.767
684 HB2 LYS 86 HB2 LYS 86 0.103 3.028 13.766
685 HB3 LYS 86 HB3 LYS 86 0.339 4.728 14.174
686 HG2 LYS 86 HG2 LYS 86 -2.125 5.024 14.278
687 HG3 LYS 86 HG3 LYS 86 -2.330 3.305 13.939
688 HD2 LYS 86 HD2 LYS 86 -0.953 2.805 15.982
689 HD3 LYS 86 HD3 LYS 86 -0.964 4.530 16.352
690 HE2 LYS 86 HE2 LYS 86 -2.956 4.266 17.363
691 HE3 LYS 86 HE3 LYS 86 -3.650 3.801 15.810
692 HZ1 LYS 86 HZ1 LYS 86 -2.999 2.174 18.063
693 HZ2 LYS 86 HZ2 LYS 86 -2.287 1.587 16.637
694 HZ3 LYS 86 HZ3 LYS 86 -3.968 1.816 16.719
695 H LYS 87 H LYS 87 0.921 6.522 12.043
696 HA LYS 87 HA LYS 87 -0.882 8.520 12.857
697 HB2 LYS 87 HB2 LYS 87 1.318 8.699 10.773
698 HB3 LYS 87 HB3 LYS 87 0.526 10.088 11.519
699 HG2 LYS 87 HG2 LYS 87 1.252 9.247 13.757
700 HG3 LYS 87 HG3 LYS 87 2.137 7.953 12.948
701 HD2 LYS 87 HD2 LYS 87 3.429 9.683 11.688
702 HD3 LYS 87 HD3 LYS 87 2.610 10.931 12.629
703 HE2 LYS 87 HE2 LYS 87 3.453 9.667 14.709
704 HE3 LYS 87 HE3 LYS 87 4.533 8.819 13.603
705 HZ1 LYS 87 HZ1 LYS 87 5.809 10.601 14.216
706 HZ2 LYS 87 HZ2 LYS 87 4.488 11.661 14.344
707 HZ3 LYS 87 HZ3 LYS 87 5.078 11.215 12.814
708 H GLU 88 H GLU 88 -2.751 9.224 11.973
709 HA GLU 88 HA GLU 88 -3.798 8.165 9.534
710 HB2 GLU 88 HB2 GLU 88 -4.629 10.588 11.137
711 HB3 GLU 88 HB3 GLU 88 -5.574 9.893 9.822
712 HG2 GLU 88 HG2 GLU 88 -5.643 7.731 11.047
713 HG3 GLU 88 HG3 GLU 88 -4.768 8.482 12.383
714 H LYS 89 H LYS 89 -1.947 11.072 10.238
715 HA LYS 89 HA LYS 89 -2.522 12.575 7.923
716 HB2 LYS 89 HB2 LYS 89 0.078 12.315 9.455
717 HB3 LYS 89 HB3 LYS 89 -0.259 13.567 8.263
718 HG2 LYS 89 HG2 LYS 89 -2.238 14.270 9.613
719 HG3 LYS 89 HG3 LYS 89 -1.779 13.087 10.839
720 HD2 LYS 89 HD2 LYS 89 0.439 14.219 11.042
721 HD3 LYS 89 HD3 LYS 89 -0.123 15.451 9.912
722 HE2 LYS 89 HE2 LYS 89 -1.717 14.806 12.384
723 HE3 LYS 89 HE3 LYS 89 -0.353 15.921 12.462
724 HZ1 LYS 89 HZ1 LYS 89 -1.478 17.030 10.463
725 HZ2 LYS 89 HZ2 LYS 89 -2.144 17.288 12.006
726 HZ3 LYS 89 HZ3 LYS 89 -2.865 16.178 10.940
727 H ASP 90 H ASP 90 0.084 10.154 8.380
728 HA ASP 90 HA ASP 90 0.933 10.314 5.623
729 HB2 ASP 90 HB2 ASP 90 1.352 8.139 7.698
730 HB3 ASP 90 HB3 ASP 90 2.183 8.236 6.147
731 H ARG 91 H ARG 91 -1.061 7.980 7.436
732 HA ARG 91 HA ARG 91 -1.612 6.210 5.302
733 HB2 ARG 91 HB2 ARG 91 -2.199 5.740 7.648
734 HB3 ARG 91 HB3 ARG 91 -3.422 7.011 7.596
735 HG2 ARG 91 HG2 ARG 91 -4.644 5.813 5.853
736 HG3 ARG 91 HG3 ARG 91 -3.395 4.570 5.802
737 HD2 ARG 91 HD2 ARG 91 -5.196 3.726 7.170
738 HD3 ARG 91 HD3 ARG 91 -3.856 4.124 8.244
739 HE ARG 91 HE ARG 91 -5.315 6.436 8.279
740 HH11 ARG 91 HH21 ARG 91 -6.100 3.094 8.592
741 HH12 ARG 91 HH22 ARG 91 -7.449 3.372 9.642
742 HH21 ARG 91 HH11 ARG 91 -7.072 6.819 9.649
743 HH22 ARG 91 HH12 ARG 91 -8.000 5.481 10.240
744 H ASN 92 H ASN 92 -3.427 9.117 6.313
745 HA ASN 92 HA ASN 92 -5.413 8.848 4.244
746 HB2 ASN 92 HB2 ASN 92 -4.530 11.224 5.898
747 HB3 ASN 92 HB3 ASN 92 -5.915 11.243 4.811
748 HD21 ASN 92 HD21 ASN 92 -6.481 11.700 7.474
749 HD22 ASN 92 HD22 ASN 92 -7.220 10.341 8.171
750 H ASP 93 H ASP 93 -2.450 10.799 4.507
751 HA ASP 93 HA ASP 93 -2.762 12.149 2.008
752 HB2 ASP 93 HB2 ASP 93 -0.259 11.460 3.571
753 HB3 ASP 93 HB3 ASP 93 -0.310 12.577 2.208
754 H LEU 94 H LEU 94 -1.114 9.113 2.845
755 HA LEU 94 HA LEU 94 0.119 8.565 0.371
756 HB2 LEU 94 HB2 LEU 94 -0.775 7.007 2.691
757 HB3 LEU 94 HB3 LEU 94 -0.781 6.090 1.185
758 HG LEU 94 HG LEU 94 1.590 7.781 1.926
759 HD11 LEU 94 HD11 LEU 94 1.096 4.901 2.738
760 HD12 LEU 94 HD12 LEU 94 1.062 6.279 3.841
761 HD13 LEU 94 HD13 LEU 94 2.567 5.829 3.039
762 HD21 LEU 94 HD21 LEU 94 1.058 6.553 -0.360
763 HD22 LEU 94 HD22 LEU 94 1.621 5.132 0.519
764 HD23 LEU 94 HD23 LEU 94 2.691 6.519 0.308
765 H ILE 95 H ILE 95 -2.973 7.185 1.440
766 HA ILE 95 HA ILE 95 -3.745 6.130 -1.022
767 HB ILE 95 HB ILE 95 -5.541 7.275 1.122
768 HG12 ILE 95 HG12 ILE 95 -4.183 4.575 0.800
769 HG13 ILE 95 HG13 ILE 95 -3.882 5.759 2.069
770 HG21 ILE 95 HG21 ILE 95 -6.126 6.155 -1.379
771 HG22 ILE 95 HG22 ILE 95 -7.247 6.362 -0.034
772 HG23 ILE 95 HG23 ILE 95 -6.372 4.843 -0.228
773 HD11 ILE 95 HD11 ILE 95 -5.933 3.727 1.962
774 HD12 ILE 95 HD12 ILE 95 -6.670 5.323 2.098
775 HD13 ILE 95 HD13 ILE 95 -5.494 4.789 3.299
776 H THR 96 H THR 96 -4.104 9.421 0.206
777 HA THR 96 HA THR 96 -5.881 10.417 -1.753
778 HB THR 96 HB THR 96 -3.510 11.900 -0.584
779 HG1 THR 96 HG1 THR 96 -5.970 11.097 0.499
780 HG21 THR 96 HG21 THR 96 -5.123 12.799 -2.467
781 HG22 THR 96 HG22 THR 96 -4.648 13.841 -1.126
782 HG23 THR 96 HG23 THR 96 -6.220 13.045 -1.110
783 H TYR 97 H TYR 97 -2.371 9.916 -1.817
784 HA TYR 97 HA TYR 97 -2.139 10.986 -4.534
785 HB2 TYR 97 HB2 TYR 97 -0.258 11.300 -3.041
786 HB3 TYR 97 HB3 TYR 97 -0.169 9.565 -2.727
787 HD1 TYR 97 HD2 TYR 97 0.357 12.205 -5.274
788 HD2 TYR 97 HD1 TYR 97 0.793 8.045 -4.315
789 HE1 TYR 97 HE2 TYR 97 1.824 11.903 -7.252
790 HE2 TYR 97 HE1 TYR 97 2.255 7.737 -6.287
791 HH TYR 97 HH TYR 97 3.863 9.702 -7.706
792 H LEU 98 H LEU 98 -1.801 7.770 -3.007
793 HA LEU 98 HA LEU 98 -1.288 6.281 -5.348
794 HB2 LEU 98 HB2 LEU 98 -3.020 5.419 -3.017
795 HB3 LEU 98 HB3 LEU 98 -2.199 4.351 -4.147
796 HG LEU 98 HG LEU 98 -0.756 6.341 -2.365
797 HD11 LEU 98 HD11 LEU 98 -1.808 4.673 -0.949
798 HD12 LEU 98 HD12 LEU 98 -0.093 4.282 -1.081
799 HD13 LEU 98 HD13 LEU 98 -1.280 3.374 -2.018
800 HD21 LEU 98 HD21 LEU 98 0.905 4.218 -3.086
801 HD22 LEU 98 HD22 LEU 98 0.945 5.846 -3.758
802 HD23 LEU 98 HD23 LEU 98 0.014 4.584 -4.561
803 H LYS 99 H LYS 99 -4.412 7.154 -3.889
804 HA LYS 99 HA LYS 99 -6.065 5.929 -5.858
805 HB2 LYS 99 HB2 LYS 99 -6.955 6.727 -3.725
806 HB3 LYS 99 HB3 LYS 99 -6.561 8.381 -4.163
807 HG2 LYS 99 HG2 LYS 99 -8.105 8.173 -6.135
808 HG3 LYS 99 HG3 LYS 99 -8.562 6.575 -5.547
809 HD2 LYS 99 HD2 LYS 99 -9.304 7.600 -3.408
810 HD3 LYS 99 HD3 LYS 99 -8.902 9.190 -4.054
811 HE2 LYS 99 HE2 LYS 99 -10.782 9.280 -5.312
812 HE3 LYS 99 HE3 LYS 99 -10.601 7.611 -5.852
813 HZ1 LYS 99 HZ1 LYS 99 -12.118 6.981 -4.390
814 HZ2 LYS 99 HZ2 LYS 99 -12.358 8.602 -3.942
815 HZ3 LYS 99 HZ3 LYS 99 -11.226 7.647 -3.109
816 H LYS 100 H LYS 100 -4.541 9.120 -5.707
817 HA LYS 100 HA LYS 100 -5.793 10.294 -7.972
818 HB2 LYS 100 HB2 LYS 100 -4.239 11.419 -6.304
819 HB3 LYS 100 HB3 LYS 100 -2.900 10.675 -7.168
820 HG2 LYS 100 HG2 LYS 100 -3.663 11.767 -9.263
821 HG3 LYS 100 HG3 LYS 100 -4.952 12.562 -8.359
822 HD2 LYS 100 HD2 LYS 100 -3.219 13.607 -6.891
823 HD3 LYS 100 HD3 LYS 100 -1.972 12.897 -7.915
824 HE2 LYS 100 HE2 LYS 100 -2.296 14.415 -9.576
825 HE3 LYS 100 HE3 LYS 100 -4.048 14.383 -9.391
826 HZ1 LYS 100 HZ1 LYS 100 -3.992 15.947 -7.720
827 HZ2 LYS 100 HZ2 LYS 100 -2.751 16.496 -8.743
828 HZ3 LYS 100 HZ3 LYS 100 -2.370 15.641 -7.325
829 H ALA 101 H ALA 101 -2.894 8.290 -7.705
830 HA ALA 101 HA ALA 101 -2.272 8.343 -10.527
831 HB1 ALA 101 HB1 ALA 101 -0.444 7.719 -9.190
832 HB2 ALA 101 HB2 ALA 101 -0.978 6.169 -9.842
833 HB3 ALA 101 HB3 ALA 101 -1.419 6.634 -8.198
834 H THR 102 H THR 102 -3.826 5.920 -8.419
835 HA THR 102 HA THR 102 -4.508 4.104 -10.522
836 HB THR 102 HB THR 102 -6.016 4.582 -7.931
837 HG1 THR 102 HG1 THR 102 -4.231 3.912 -7.078
838 HG21 THR 102 HG21 THR 102 -5.769 1.869 -9.024
839 HG22 THR 102 HG22 THR 102 -6.662 2.970 -10.073
840 HG23 THR 102 HG23 THR 102 -7.193 2.708 -8.411
841 H GLU 103 H GLU 103 -5.978 7.036 -9.284
842 HA GLU 103 HA GLU 103 -8.474 6.665 -10.765
843 HB2 GLU 103 HB2 GLU 103 -8.324 8.007 -8.655
844 HB3 GLU 103 HB3 GLU 103 -7.347 9.192 -9.523
845 HG2 GLU 103 HG2 GLU 103 -9.211 9.483 -11.154
846 HG3 GLU 103 HG3 GLU 103 -10.191 8.380 -10.188
847 HHA HEC 104 HA HEC 104 2.527 -6.299 1.019
848 HHB HEC 104 HB HEC 104 1.304 -0.062 1.010
849 HHC HEC 104 HC HEC 104 7.385 1.112 2.255
850 HHD HEC 104 HD HEC 104 8.623 -5.067 2.097
851 HMA1 HEC 104 1HMA HEC 104 -0.601 -1.086 0.958
852 HMA2 HEC 104 2HMA HEC 104 -1.350 -2.656 0.789
853 HMA3 HEC 104 3HMA HEC 104 -0.585 -1.898 -0.604
854 HAA1 HEC 104 1HAA HEC 104 0.424 -6.076 0.691
855 HAA2 HEC 104 2HAA HEC 104 -0.536 -5.133 1.805
856 HBA1 HEC 104 1HBA HEC 104 -0.812 -4.149 -0.914
857 HBA2 HEC 104 2HBA HEC 104 -2.055 -4.680 0.218
858 HMB1 HEC 104 1HMB HEC 104 1.639 2.176 0.796
859 HMB2 HEC 104 2HMB HEC 104 1.861 2.271 2.544
860 HMB3 HEC 104 3HMB HEC 104 2.731 3.378 1.482
861 HAB HEC 104 HAB HEC 104 6.464 2.961 1.796
862 HBB1 HEC 104 1HBB HEC 104 4.534 4.862 2.422
863 HBB2 HEC 104 2HBB HEC 104 5.667 4.110 3.544
864 HBB3 HEC 104 3HBB HEC 104 4.055 3.429 3.332
865 HMC1 HEC 104 1HMC HEC 104 10.698 -0.455 3.143
866 HMC2 HEC 104 2HMC HEC 104 9.926 0.681 2.035
867 HMC3 HEC 104 3HMC HEC 104 9.309 0.494 3.677
868 HAC HEC 104 HAC HEC 104 10.456 -3.963 1.746
869 HBC1 HEC 104 1HBC HEC 104 12.132 -2.388 3.432
870 HBC2 HEC 104 2HBC HEC 104 10.610 -2.651 4.284
871 HBC3 HEC 104 3HBC HEC 104 11.550 -4.029 3.712
872 HMD1 HEC 104 1HMD HEC 104 7.025 -8.430 2.408
873 HMD2 HEC 104 2HMD HEC 104 8.067 -7.107 2.898
874 HMD3 HEC 104 3HMD HEC 104 8.143 -7.723 1.249
875 HAD1 HEC 104 1HAD HEC 104 3.784 -7.991 0.296
876 HAD2 HEC 104 2HAD HEC 104 4.135 -8.618 1.891
877 HBD1 HEC 104 1HBD HEC 104 5.905 -9.830 1.143
878 HBD2 HEC 104 2HBD HEC 104 6.433 -8.567 0.031
Start of MODEL 17
1 H1 THR -5 H1 THR -5 -14.698 8.887 -0.799
2 H2 THR -5 H2 THR -5 -16.113 8.970 0.136
3 H3 THR -5 H3 THR -5 -14.876 7.884 0.556
4 HA THR -5 HA THR -5 -13.402 9.934 0.797
5 HB THR -5 HB THR -5 -15.358 11.703 1.681
6 HG1 THR -5 HG1 THR -5 -17.027 11.474 0.451
7 HG21 THR -5 HG21 THR -5 -13.384 12.475 0.602
8 HG22 THR -5 HG22 THR -5 -14.708 12.945 -0.464
9 HG23 THR -5 HG23 THR -5 -13.723 11.535 -0.853
10 H GLU -4 H GLU -4 -15.418 7.732 2.030
11 HA GLU -4 HA GLU -4 -16.011 8.632 4.672
12 HB2 GLU -4 HB2 GLU -4 -15.428 5.836 3.648
13 HB3 GLU -4 HB3 GLU -4 -16.114 6.200 5.231
14 HG2 GLU -4 HG2 GLU -4 -18.013 7.355 4.121
15 HG3 GLU -4 HG3 GLU -4 -17.342 6.910 2.551
16 H PHE -3 H PHE -3 -13.086 7.258 3.248
17 HA PHE -3 HA PHE -3 -11.733 6.899 5.791
18 HB2 PHE -3 HB2 PHE -3 -9.735 6.506 4.441
19 HB3 PHE -3 HB3 PHE -3 -11.102 5.649 3.732
20 HD1 PHE -3 HD1 PHE -3 -12.304 6.651 1.754
21 HD2 PHE -3 HD2 PHE -3 -8.604 8.235 3.253
22 HE1 PHE -3 HE1 PHE -3 -11.954 7.857 -0.384
23 HE2 PHE -3 HE2 PHE -3 -8.255 9.442 1.114
24 HZ PHE -3 HZ PHE -3 -9.929 9.254 -0.704
25 H LYS -2 H LYS -2 -12.588 9.635 4.039
26 HA LYS -2 HA LYS -2 -11.945 11.882 4.193
27 HB2 LYS -2 HB2 LYS -2 -12.342 11.372 6.618
28 HB3 LYS -2 HB3 LYS -2 -10.634 10.965 6.771
29 HG2 LYS -2 HG2 LYS -2 -10.701 13.212 7.458
30 HG3 LYS -2 HG3 LYS -2 -10.216 13.334 5.768
31 HD2 LYS -2 HD2 LYS -2 -12.467 13.882 5.087
32 HD3 LYS -2 HD3 LYS -2 -13.093 13.532 6.698
33 HE2 LYS -2 HE2 LYS -2 -11.154 15.751 5.980
34 HE3 LYS -2 HE3 LYS -2 -12.855 15.954 6.397
35 HZ1 LYS -2 HZ1 LYS -2 -10.638 15.735 8.117
36 HZ2 LYS -2 HZ2 LYS -2 -11.692 14.435 8.409
37 HZ3 LYS -2 HZ3 LYS -2 -12.260 16.034 8.511
38 H ALA -1 H ALA -1 -10.460 12.348 2.623
39 HA ALA -1 HA ALA -1 -7.825 11.184 2.519
40 HB1 ALA -1 HB1 ALA -1 -7.562 12.371 0.556
41 HB2 ALA -1 HB2 ALA -1 -8.397 13.793 1.181
42 HB3 ALA -1 HB3 ALA -1 -9.322 12.381 0.670
43 H GLY 1 H GLY 1 -6.594 13.893 1.867
44 HA2 GLY 1 HA2 GLY 1 -6.535 15.485 4.245
45 HA3 GLY 1 HA3 GLY 1 -5.205 14.327 4.290
46 H SER 2 H SER 2 -3.683 14.364 2.447
47 HA SER 2 HA SER 2 -3.752 16.769 0.750
48 HB2 SER 2 HB2 SER 2 -2.564 17.333 2.938
49 HB3 SER 2 HB3 SER 2 -1.329 16.181 2.448
50 HG SER 2 HG SER 2 -1.643 18.711 1.688
51 H ALA 3 H ALA 3 -3.498 15.817 -1.219
52 HA ALA 3 HA ALA 3 -2.202 13.286 -1.613
53 HB1 ALA 3 HB1 ALA 3 -3.903 14.728 -3.109
54 HB2 ALA 3 HB2 ALA 3 -2.849 13.499 -3.809
55 HB3 ALA 3 HB3 ALA 3 -2.393 15.201 -3.887
56 H LYS 4 H LYS 4 -1.081 16.625 -1.861
57 HA LYS 4 HA LYS 4 1.369 16.133 -3.209
58 HB2 LYS 4 HB2 LYS 4 1.851 18.163 -1.285
59 HB3 LYS 4 HB3 LYS 4 1.459 18.371 -2.991
60 HG2 LYS 4 HG2 LYS 4 -0.642 17.969 -0.847
61 HG3 LYS 4 HG3 LYS 4 -0.099 19.555 -1.382
62 HD2 LYS 4 HD2 LYS 4 -1.166 19.404 -3.395
63 HD3 LYS 4 HD3 LYS 4 -0.869 17.673 -3.544
64 HE2 LYS 4 HE2 LYS 4 -2.751 17.106 -2.303
65 HE3 LYS 4 HE3 LYS 4 -2.750 18.627 -1.413
66 HZ1 LYS 4 HZ1 LYS 4 -3.113 18.919 -4.258
67 HZ2 LYS 4 HZ2 LYS 4 -3.967 19.631 -2.973
68 HZ3 LYS 4 HZ3 LYS 4 -4.361 18.062 -3.494
69 H LYS 5 H LYS 5 0.798 16.404 0.325
70 HA LYS 5 HA LYS 5 3.426 15.603 1.073
71 HB2 LYS 5 HB2 LYS 5 0.804 15.335 2.550
72 HB3 LYS 5 HB3 LYS 5 2.388 15.105 3.281
73 HG2 LYS 5 HG2 LYS 5 2.996 17.429 2.601
74 HG3 LYS 5 HG3 LYS 5 1.353 17.647 1.998
75 HD2 LYS 5 HD2 LYS 5 0.487 17.119 4.279
76 HD3 LYS 5 HD3 LYS 5 2.150 17.034 4.859
77 HE2 LYS 5 HE2 LYS 5 2.431 19.302 4.794
78 HE3 LYS 5 HE3 LYS 5 1.440 19.486 3.346
79 HZ1 LYS 5 HZ1 LYS 5 0.671 20.115 5.863
80 HZ2 LYS 5 HZ2 LYS 5 -0.038 18.587 5.641
81 HZ3 LYS 5 HZ3 LYS 5 -0.379 19.849 4.557
82 H GLY 6 H GLY 6 0.456 13.733 0.562
83 HA2 GLY 6 HA2 GLY 6 1.498 11.208 1.400
84 HA3 GLY 6 HA3 GLY 6 0.136 11.423 0.304
85 H ALA 7 H ALA 7 1.575 12.890 -1.709
86 HA ALA 7 HA ALA 7 2.565 10.716 -3.262
87 HB1 ALA 7 HB1 ALA 7 3.331 13.596 -3.735
88 HB2 ALA 7 HB2 ALA 7 1.697 13.012 -4.059
89 HB3 ALA 7 HB3 ALA 7 3.069 12.323 -4.928
90 H THR 8 H THR 8 4.306 13.283 -1.494
91 HA THR 8 HA THR 8 6.901 12.224 -2.215
92 HB THR 8 HB THR 8 7.787 13.872 -0.717
93 HG1 THR 8 HG1 THR 8 5.148 13.926 0.301
94 HG21 THR 8 HG21 THR 8 6.748 14.703 -2.815
95 HG22 THR 8 HG22 THR 8 6.671 15.893 -1.516
96 HG23 THR 8 HG23 THR 8 5.239 14.956 -1.939
97 H LEU 9 H LEU 9 4.720 11.795 0.543
98 HA LEU 9 HA LEU 9 6.502 10.550 2.345
99 HB2 LEU 9 HB2 LEU 9 4.099 11.129 2.822
100 HB3 LEU 9 HB3 LEU 9 3.622 9.746 1.837
101 HG LEU 9 HG LEU 9 5.034 8.289 3.338
102 HD11 LEU 9 HD11 LEU 9 5.075 9.816 5.679
103 HD12 LEU 9 HD12 LEU 9 5.668 10.917 4.435
104 HD13 LEU 9 HD13 LEU 9 6.474 9.371 4.701
105 HD21 LEU 9 HD21 LEU 9 3.037 7.874 4.291
106 HD22 LEU 9 HD22 LEU 9 2.465 9.465 3.790
107 HD23 LEU 9 HD23 LEU 9 3.258 9.265 5.353
108 H PHE 10 H PHE 10 4.611 9.153 -0.310
109 HA PHE 10 HA PHE 10 5.497 6.455 0.032
110 HB2 PHE 10 HB2 PHE 10 3.570 7.072 -1.389
111 HB3 PHE 10 HB3 PHE 10 4.660 7.906 -2.499
112 HD1 PHE 10 HD2 PHE 10 6.471 6.581 -3.677
113 HD2 PHE 10 HD1 PHE 10 3.265 4.713 -1.510
114 HE1 PHE 10 HE2 PHE 10 6.905 4.453 -4.870
115 HE2 PHE 10 HE1 PHE 10 3.703 2.583 -2.705
116 HZ PHE 10 HZ PHE 10 5.519 2.456 -4.391
117 H LYS 11 H LYS 11 6.708 9.127 -1.978
118 HA LYS 11 HA LYS 11 8.811 7.682 -3.205
119 HB2 LYS 11 HB2 LYS 11 8.568 10.632 -2.593
120 HB3 LYS 11 HB3 LYS 11 9.791 9.932 -3.649
121 HG2 LYS 11 HG2 LYS 11 7.959 8.965 -5.051
122 HG3 LYS 11 HG3 LYS 11 6.795 9.823 -4.043
123 HD2 LYS 11 HD2 LYS 11 7.933 11.969 -4.619
124 HD3 LYS 11 HD3 LYS 11 8.986 11.077 -5.718
125 HE2 LYS 11 HE2 LYS 11 6.842 10.215 -6.829
126 HE3 LYS 11 HE3 LYS 11 5.994 11.460 -5.911
127 HZ1 LYS 11 HZ1 LYS 11 6.592 12.919 -7.443
128 HZ2 LYS 11 HZ2 LYS 11 7.469 11.734 -8.288
129 HZ3 LYS 11 HZ3 LYS 11 8.225 12.650 -7.073
130 H THR 12 H THR 12 8.680 9.423 -0.136
131 HA THR 12 HA THR 12 11.562 9.078 0.283
132 HB THR 12 HB THR 12 11.172 10.305 2.355
133 HG1 THR 12 HG1 THR 12 8.673 10.972 2.209
134 HG21 THR 12 HG21 THR 12 11.399 11.711 0.445
135 HG22 THR 12 HG22 THR 12 10.006 12.334 1.330
136 HG23 THR 12 HG23 THR 12 9.766 11.341 -0.108
137 H ARG 13 H ARG 13 9.025 6.928 0.630
138 HA ARG 13 HA ARG 13 10.572 5.498 2.736
139 HB2 ARG 13 HB2 ARG 13 7.593 6.009 2.848
140 HB3 ARG 13 HB3 ARG 13 8.478 4.938 3.936
141 HG2 ARG 13 HG2 ARG 13 9.919 6.871 4.598
142 HG3 ARG 13 HG3 ARG 13 8.912 7.920 3.600
143 HD2 ARG 13 HD2 ARG 13 6.922 7.137 4.952
144 HD3 ARG 13 HD3 ARG 13 8.062 6.337 6.035
145 HE ARG 13 HE ARG 13 8.834 9.074 5.722
146 HH11 ARG 13 HH21 ARG 13 6.412 7.036 7.088
147 HH12 ARG 13 HH22 ARG 13 6.036 8.125 8.381
148 HH21 ARG 13 HH11 ARG 13 8.359 10.507 7.405
149 HH22 ARG 13 HH12 ARG 13 7.139 10.090 8.561
150 H CYS 14 H CYS 14 7.488 4.989 0.959
151 HA CYS 14 HA CYS 14 7.896 2.157 0.794
152 HB2 CYS 14 HB2 CYS 14 6.242 3.574 -1.246
153 HB3 CYS 14 HB3 CYS 14 5.905 2.078 -0.381
154 H LEU 15 H LEU 15 9.054 4.767 -1.217
155 HA LEU 15 HA LEU 15 9.533 3.346 -3.619
156 HB2 LEU 15 HB2 LEU 15 9.857 5.775 -3.381
157 HB3 LEU 15 HB3 LEU 15 11.275 5.488 -2.379
158 HG LEU 15 HG LEU 15 12.290 4.215 -4.292
159 HD11 LEU 15 HD11 LEU 15 10.775 3.515 -5.835
160 HD12 LEU 15 HD12 LEU 15 10.945 5.137 -6.506
161 HD13 LEU 15 HD13 LEU 15 9.617 4.774 -5.405
162 HD21 LEU 15 HD21 LEU 15 12.298 6.438 -5.813
163 HD22 LEU 15 HD22 LEU 15 13.183 6.333 -4.292
164 HD23 LEU 15 HD23 LEU 15 11.602 7.113 -4.339
165 H GLN 16 H GLN 16 11.380 3.411 -0.605
166 HA GLN 16 HA GLN 16 13.762 2.199 -1.498
167 HB2 GLN 16 HB2 GLN 16 12.313 1.849 1.141
168 HB3 GLN 16 HB3 GLN 16 13.979 1.351 0.841
169 HG2 GLN 16 HG2 GLN 16 14.597 3.666 0.309
170 HG3 GLN 16 HG3 GLN 16 12.928 4.181 0.550
171 HE21 GLN 16 HE21 GLN 16 15.008 5.296 2.141
172 HE22 GLN 16 HE22 GLN 16 14.825 4.752 3.739
173 H CYS 17 H CYS 17 10.662 0.674 -0.628
174 HA CYS 17 HA CYS 17 11.821 -1.943 -1.510
175 HB2 CYS 17 HB2 CYS 17 9.446 -1.343 0.255
176 HB3 CYS 17 HB3 CYS 17 9.913 -2.958 -0.262
177 H HIS 18 H HIS 18 8.916 0.097 -1.761
178 HA HIS 18 HA HIS 18 7.927 -1.639 -3.944
179 HB2 HIS 18 HB2 HIS 18 6.681 0.759 -2.585
180 HB3 HIS 18 HB3 HIS 18 5.904 -0.195 -3.845
181 HD1 HIS 18 HD1 HIS 18 5.831 -2.924 -3.194
182 HD2 HIS 18 HD2 HIS 18 6.131 -0.171 -0.076
183 HE1 HIS 18 HE1 HIS 18 4.968 -4.094 -1.102
184 H THR 19 H THR 19 7.454 -0.852 -6.015
185 HA THR 19 HA THR 19 8.612 1.815 -6.705
186 HB THR 19 HB THR 19 8.673 -0.615 -8.497
187 HG1 THR 19 HG1 THR 19 10.226 0.030 -6.396
188 HG21 THR 19 HG21 THR 19 10.272 1.944 -8.635
189 HG22 THR 19 HG22 THR 19 8.738 1.725 -9.476
190 HG23 THR 19 HG23 THR 19 10.117 0.702 -9.879
191 H VAL 20 H VAL 20 7.032 3.094 -7.593
192 HA VAL 20 HA VAL 20 4.410 1.984 -8.149
193 HB VAL 20 HB VAL 20 3.845 4.291 -8.846
194 HG11 VAL 20 HG11 VAL 20 4.702 3.418 -6.318
195 HG12 VAL 20 HG12 VAL 20 3.672 4.808 -6.662
196 HG13 VAL 20 HG13 VAL 20 5.418 5.015 -6.527
197 HG21 VAL 20 HG21 VAL 20 6.783 4.424 -9.042
198 HG22 VAL 20 HG22 VAL 20 6.050 5.811 -8.235
199 HG23 VAL 20 HG23 VAL 20 5.558 5.383 -9.874
200 H GLU 21 H GLU 21 7.261 2.609 -10.036
201 HA GLU 21 HA GLU 21 6.141 2.867 -12.627
202 HB2 GLU 21 HB2 GLU 21 8.699 1.465 -11.785
203 HB3 GLU 21 HB3 GLU 21 8.299 1.935 -13.439
204 HG2 GLU 21 HG2 GLU 21 8.130 4.300 -12.706
205 HG3 GLU 21 HG3 GLU 21 8.599 3.811 -11.077
206 H LYS 22 H LYS 22 5.533 1.308 -14.182
207 HA LYS 22 HA LYS 22 4.482 -1.181 -13.077
208 HB2 LYS 22 HB2 LYS 22 4.590 -0.137 -15.925
209 HB3 LYS 22 HB3 LYS 22 3.711 -1.580 -15.415
210 HG2 LYS 22 HG2 LYS 22 2.400 -0.173 -13.825
211 HG3 LYS 22 HG3 LYS 22 3.221 1.254 -14.457
212 HD2 LYS 22 HD2 LYS 22 2.371 0.679 -16.736
213 HD3 LYS 22 HD3 LYS 22 1.459 -0.652 -16.022
214 HE2 LYS 22 HE2 LYS 22 0.176 0.890 -14.653
215 HE3 LYS 22 HE3 LYS 22 1.163 2.249 -15.193
216 HZ1 LYS 22 HZ1 LYS 22 0.417 1.678 -17.499
217 HZ2 LYS 22 HZ2 LYS 22 -0.800 2.275 -16.476
218 HZ3 LYS 22 HZ3 LYS 22 -0.707 0.612 -16.809
219 H GLY 23 H GLY 23 5.415 -3.188 -13.207
220 HA2 GLY 23 HA2 GLY 23 6.910 -4.882 -13.890
221 HA3 GLY 23 HA3 GLY 23 7.431 -3.830 -15.207
222 H GLY 24 H GLY 24 7.450 -2.948 -11.786
223 HA2 GLY 24 HA2 GLY 24 10.122 -1.951 -11.895
224 HA3 GLY 24 HA3 GLY 24 9.234 -2.280 -10.410
225 HA PRO 25 HA PRO 25 12.687 -5.488 -11.448
226 HB2 PRO 25 HB2 PRO 25 14.550 -4.601 -9.615
227 HB3 PRO 25 HB3 PRO 25 14.541 -4.162 -11.332
228 HG2 PRO 25 HG2 PRO 25 13.584 -2.622 -8.980
229 HG3 PRO 25 HG3 PRO 25 14.404 -2.058 -10.446
230 HD2 PRO 25 HD2 PRO 25 11.720 -1.768 -10.065
231 HD3 PRO 25 HD3 PRO 25 12.442 -1.976 -11.676
232 H HIS 26 H HIS 26 11.107 -4.288 -8.585
233 HA HIS 26 HA HIS 26 10.542 -5.360 -6.565
234 HB2 HIS 26 HB2 HIS 26 11.111 -7.882 -8.159
235 HB3 HIS 26 HB3 HIS 26 10.159 -7.773 -6.688
236 HD1 HIS 26 HD1 HIS 26 8.029 -5.972 -6.941
237 HD2 HIS 26 HD2 HIS 26 9.562 -7.737 -10.384
238 HE1 HIS 26 HE1 HIS 26 6.231 -5.754 -8.720
239 HE2 HIS 26 HE2 HIS 26 7.168 -6.805 -10.831
240 H LYS 27 H LYS 27 13.215 -4.481 -6.748
241 HA LYS 27 HA LYS 27 15.210 -6.420 -6.250
242 HB2 LYS 27 HB2 LYS 27 15.637 -3.994 -6.630
243 HB3 LYS 27 HB3 LYS 27 15.020 -3.660 -5.012
244 HG2 LYS 27 HG2 LYS 27 16.764 -5.148 -4.060
245 HG3 LYS 27 HG3 LYS 27 17.405 -5.409 -5.683
246 HD2 LYS 27 HD2 LYS 27 17.733 -2.927 -5.885
247 HD3 LYS 27 HD3 LYS 27 17.258 -2.774 -4.192
248 HE2 LYS 27 HE2 LYS 27 19.131 -4.690 -3.931
249 HE3 LYS 27 HE3 LYS 27 19.762 -3.877 -5.364
250 HZ1 LYS 27 HZ1 LYS 27 20.195 -1.994 -4.222
251 HZ2 LYS 27 HZ2 LYS 27 20.306 -3.071 -2.914
252 HZ3 LYS 27 HZ3 LYS 27 18.881 -2.180 -3.165
253 H VAL 28 H VAL 28 13.154 -4.704 -3.867
254 HA VAL 28 HA VAL 28 14.140 -6.578 -1.782
255 HB VAL 28 HB VAL 28 12.340 -4.168 -1.496
256 HG11 VAL 28 HG11 VAL 28 13.900 -5.794 0.533
257 HG12 VAL 28 HG12 VAL 28 12.148 -5.815 0.328
258 HG13 VAL 28 HG13 VAL 28 12.953 -4.350 0.891
259 HG21 VAL 28 HG21 VAL 28 14.458 -3.372 -2.277
260 HG22 VAL 28 HG22 VAL 28 15.336 -4.513 -1.257
261 HG23 VAL 28 HG23 VAL 28 14.477 -3.157 -0.526
262 H GLY 29 H GLY 29 10.939 -5.104 -2.152
263 HA2 GLY 29 HA2 GLY 29 9.751 -7.851 -2.020
264 HA3 GLY 29 HA3 GLY 29 9.033 -6.454 -1.215
265 HA PRO 30 HA PRO 30 7.361 -7.202 -5.640
266 HB2 PRO 30 HB2 PRO 30 4.799 -6.899 -4.190
267 HB3 PRO 30 HB3 PRO 30 5.269 -8.101 -5.405
268 HG2 PRO 30 HG2 PRO 30 5.032 -8.603 -2.726
269 HG3 PRO 30 HG3 PRO 30 6.013 -9.552 -3.848
270 HD2 PRO 30 HD2 PRO 30 6.891 -7.720 -1.725
271 HD3 PRO 30 HD3 PRO 30 7.823 -8.951 -2.600
272 H ASN 31 H ASN 31 6.679 -5.435 -6.883
273 HA ASN 31 HA ASN 31 6.934 -2.860 -5.542
274 HB2 ASN 31 HB2 ASN 31 6.475 -3.515 -8.454
275 HB3 ASN 31 HB3 ASN 31 6.928 -1.938 -7.805
276 HD21 ASN 31 HD21 ASN 31 8.638 -3.229 -5.669
277 HD22 ASN 31 HD22 ASN 31 10.053 -3.704 -6.482
278 H LEU 32 H LEU 32 4.400 -4.740 -5.500
279 HA LEU 32 HA LEU 32 2.059 -4.379 -5.462
280 HB2 LEU 32 HB2 LEU 32 3.213 -2.935 -3.630
281 HB3 LEU 32 HB3 LEU 32 2.851 -1.578 -4.693
282 HG LEU 32 HG LEU 32 0.436 -2.630 -4.709
283 HD11 LEU 32 HD11 LEU 32 -0.114 -4.009 -2.921
284 HD12 LEU 32 HD12 LEU 32 1.221 -3.427 -1.929
285 HD13 LEU 32 HD13 LEU 32 1.528 -4.555 -3.247
286 HD21 LEU 32 HD21 LEU 32 1.824 -0.819 -2.812
287 HD22 LEU 32 HD22 LEU 32 0.255 -1.415 -2.277
288 HD23 LEU 32 HD23 LEU 32 0.389 -0.530 -3.795
289 H HIS 33 H HIS 33 1.422 -1.283 -5.736
290 HA HIS 33 HA HIS 33 0.595 0.118 -7.403
291 HB2 HIS 33 HB2 HIS 33 3.030 -0.037 -8.112
292 HB3 HIS 33 HB3 HIS 33 2.531 -1.283 -9.257
293 HD1 HIS 33 HD1 HIS 33 1.540 2.296 -8.352
294 HD2 HIS 33 HD2 HIS 33 1.668 -0.239 -11.662
295 HE1 HIS 33 HE1 HIS 33 0.831 3.687 -10.349
296 HE2 HIS 33 HE2 HIS 33 0.907 2.154 -12.368
297 H GLY 34 H GLY 34 -1.466 -0.353 -7.996
298 HA2 GLY 34 HA2 GLY 34 -2.939 -1.087 -9.780
299 HA3 GLY 34 HA3 GLY 34 -1.831 -2.413 -10.104
300 H ILE 35 H ILE 35 -2.196 -2.279 -6.770
301 HA ILE 35 HA ILE 35 -3.906 -4.643 -6.864
302 HB ILE 35 HB ILE 35 -3.658 -4.684 -4.412
303 HG12 ILE 35 HG12 ILE 35 -1.815 -2.315 -4.621
304 HG13 ILE 35 HG13 ILE 35 -3.538 -2.057 -4.364
305 HG21 ILE 35 HG21 ILE 35 -1.335 -5.220 -4.410
306 HG22 ILE 35 HG22 ILE 35 -0.997 -4.080 -5.711
307 HG23 ILE 35 HG23 ILE 35 -1.904 -5.554 -6.045
308 HD11 ILE 35 HD11 ILE 35 -1.735 -2.506 -2.358
309 HD12 ILE 35 HD12 ILE 35 -2.357 -4.132 -2.636
310 HD13 ILE 35 HD13 ILE 35 -3.463 -2.821 -2.231
311 H PHE 36 H PHE 36 -4.454 -1.257 -6.492
312 HA PHE 36 HA PHE 36 -6.773 -1.282 -4.848
313 HB2 PHE 36 HB2 PHE 36 -5.852 0.511 -7.091
314 HB3 PHE 36 HB3 PHE 36 -7.427 0.758 -6.337
315 HD1 PHE 36 HD2 PHE 36 -3.759 0.627 -5.675
316 HD2 PHE 36 HD1 PHE 36 -7.628 1.710 -4.152
317 HE1 PHE 36 HE2 PHE 36 -2.688 1.840 -3.799
318 HE2 PHE 36 HE1 PHE 36 -6.555 2.929 -2.288
319 HZ PHE 36 HZ PHE 36 -4.086 2.993 -2.106
320 H GLY 37 H GLY 37 -8.777 -2.117 -5.203
321 HA2 GLY 37 HA2 GLY 37 -10.692 -2.808 -6.417
322 HA3 GLY 37 HA3 GLY 37 -9.884 -2.315 -7.909
323 H ARG 38 H ARG 38 -7.961 -4.276 -5.884
324 HA ARG 38 HA ARG 38 -8.734 -6.730 -7.399
325 HB2 ARG 38 HB2 ARG 38 -5.957 -5.614 -6.964
326 HB3 ARG 38 HB3 ARG 38 -6.254 -7.275 -7.465
327 HG2 ARG 38 HG2 ARG 38 -7.459 -4.975 -8.986
328 HG3 ARG 38 HG3 ARG 38 -5.804 -5.495 -9.299
329 HD2 ARG 38 HD2 ARG 38 -6.689 -7.838 -9.633
330 HD3 ARG 38 HD3 ARG 38 -8.321 -7.173 -9.546
331 HE ARG 38 HE ARG 38 -6.461 -6.876 -11.788
332 HH11 ARG 38 HH21 ARG 38 -9.202 -5.680 -10.073
333 HH12 ARG 38 HH22 ARG 38 -9.864 -4.850 -11.441
334 HH21 ARG 38 HH11 ARG 38 -7.308 -5.799 -13.585
335 HH22 ARG 38 HH12 ARG 38 -8.791 -4.917 -13.430
336 H HIS 39 H HIS 39 -7.578 -8.682 -6.390
337 HA HIS 39 HA HIS 39 -8.065 -8.586 -3.476
338 HB2 HIS 39 HB2 HIS 39 -7.756 -10.760 -5.528
339 HB3 HIS 39 HB3 HIS 39 -7.546 -11.134 -3.822
340 HD1 HIS 39 HD1 HIS 39 -10.095 -9.429 -6.071
341 HD2 HIS 39 HD2 HIS 39 -9.951 -11.569 -2.501
342 HE1 HIS 39 HE1 HIS 39 -12.495 -9.773 -5.355
343 HE2 HIS 39 HE2 HIS 39 -12.424 -11.074 -3.175
344 H SER 40 H SER 40 -6.429 -8.914 -1.963
345 HA SER 40 HA SER 40 -3.790 -8.152 -2.606
346 HB2 SER 40 HB2 SER 40 -5.010 -8.460 -0.278
347 HB3 SER 40 HB3 SER 40 -4.272 -10.055 -0.340
348 HG SER 40 HG SER 40 -2.458 -8.268 -1.086
349 H GLY 41 H GLY 41 -1.987 -9.271 -3.225
350 HA2 GLY 41 HA2 GLY 41 -0.709 -11.354 -3.390
351 HA3 GLY 41 HA3 GLY 41 -2.230 -12.226 -3.505
352 H GLN 42 H GLN 42 -2.900 -9.694 -5.379
353 HA GLN 42 HA GLN 42 -1.981 -11.144 -7.812
354 HB2 GLN 42 HB2 GLN 42 -4.114 -9.027 -7.409
355 HB3 GLN 42 HB3 GLN 42 -3.702 -9.742 -8.970
356 HG2 GLN 42 HG2 GLN 42 -4.254 -11.974 -8.121
357 HG3 GLN 42 HG3 GLN 42 -4.613 -11.297 -6.532
358 HE21 GLN 42 HE21 GLN 42 -6.616 -12.709 -8.012
359 HE22 GLN 42 HE22 GLN 42 -7.820 -11.607 -8.477
360 H ALA 43 H ALA 43 -0.181 -10.379 -8.766
361 HA ALA 43 HA ALA 43 0.131 -7.505 -9.254
362 HB1 ALA 43 HB1 ALA 43 2.625 -7.856 -8.330
363 HB2 ALA 43 HB2 ALA 43 1.792 -8.980 -7.259
364 HB3 ALA 43 HB3 ALA 43 1.323 -7.279 -7.292
365 H GLU 44 H GLU 44 0.689 -7.489 -11.369
366 HA GLU 44 HA GLU 44 1.738 -9.775 -12.749
367 HB2 GLU 44 HB2 GLU 44 1.615 -6.853 -13.535
368 HB3 GLU 44 HB3 GLU 44 2.095 -8.152 -14.627
369 HG2 GLU 44 HG2 GLU 44 -0.561 -8.003 -13.172
370 HG3 GLU 44 HG3 GLU 44 -0.307 -7.581 -14.862
371 H GLY 45 H GLY 45 3.201 -6.893 -11.323
372 HA2 GLY 45 HA2 GLY 45 5.814 -7.160 -12.397
373 HA3 GLY 45 HA3 GLY 45 5.448 -6.427 -10.831
374 H TYR 46 H TYR 46 4.299 -8.668 -9.551
375 HA TYR 46 HA TYR 46 5.886 -11.023 -9.776
376 HB2 TYR 46 HB2 TYR 46 7.789 -9.919 -8.964
377 HB3 TYR 46 HB3 TYR 46 6.846 -8.920 -7.858
378 HD1 TYR 46 HD2 TYR 46 6.978 -12.622 -8.492
379 HD2 TYR 46 HD1 TYR 46 7.384 -9.432 -5.656
380 HE1 TYR 46 HE2 TYR 46 7.324 -14.278 -6.675
381 HE2 TYR 46 HE1 TYR 46 7.721 -11.074 -3.835
382 HH TYR 46 HH TYR 46 6.897 -14.138 -3.959
383 H SER 47 H SER 47 4.877 -12.640 -8.698
384 HA SER 47 HA SER 47 2.426 -12.110 -7.304
385 HB2 SER 47 HB2 SER 47 4.121 -14.626 -7.232
386 HB3 SER 47 HB3 SER 47 2.414 -14.505 -6.813
387 HG SER 47 HG SER 47 2.894 -13.440 -9.245
388 H TYR 48 H TYR 48 2.041 -11.918 -5.118
389 HA TYR 48 HA TYR 48 4.185 -11.108 -3.401
390 HB2 TYR 48 HB2 TYR 48 1.358 -11.964 -2.754
391 HB3 TYR 48 HB3 TYR 48 2.454 -11.192 -1.615
392 HD1 TYR 48 HD2 TYR 48 0.789 -10.714 -4.922
393 HD2 TYR 48 HD1 TYR 48 2.748 -8.853 -1.592
394 HE1 TYR 48 HE2 TYR 48 0.139 -8.488 -5.788
395 HE2 TYR 48 HE1 TYR 48 2.117 -6.620 -2.466
396 HH TYR 48 HH TYR 48 0.332 -5.672 -3.957
397 H THR 49 H THR 49 3.783 -12.344 -0.981
398 HA THR 49 HA THR 49 5.281 -14.803 -1.302
399 HB THR 49 HB THR 49 3.901 -13.734 1.179
400 HG1 THR 49 HG1 THR 49 6.597 -13.394 0.408
401 HG21 THR 49 HG21 THR 49 4.548 -15.904 1.716
402 HG22 THR 49 HG22 THR 49 5.996 -14.995 2.152
403 HG23 THR 49 HG23 THR 49 5.930 -15.870 0.622
404 H ASP 50 H ASP 50 4.549 -16.945 -0.749
405 HA ASP 50 HA ASP 50 2.066 -17.726 -1.771
406 HB2 ASP 50 HB2 ASP 50 3.794 -19.045 0.340
407 HB3 ASP 50 HB3 ASP 50 2.415 -19.830 -0.428
408 H ALA 51 H ALA 51 2.893 -16.856 1.589
409 HA ALA 51 HA ALA 51 0.354 -17.577 2.712
410 HB1 ALA 51 HB1 ALA 51 1.784 -17.155 4.447
411 HB2 ALA 51 HB2 ALA 51 1.156 -15.513 4.296
412 HB3 ALA 51 HB3 ALA 51 2.687 -15.946 3.535
413 H ASN 52 H ASN 52 1.608 -14.465 1.525
414 HA ASN 52 HA ASN 52 -0.740 -12.928 1.934
415 HB2 ASN 52 HB2 ASN 52 1.486 -11.990 1.313
416 HB3 ASN 52 HB3 ASN 52 1.303 -12.676 -0.299
417 HD21 ASN 52 HD21 ASN 52 1.593 -10.000 -0.393
418 HD22 ASN 52 HD22 ASN 52 0.106 -9.215 -0.638
419 H ILE 53 H ILE 53 0.294 -14.886 -0.846
420 HA ILE 53 HA ILE 53 -2.014 -14.255 -2.450
421 HB ILE 53 HB ILE 53 -0.149 -16.627 -2.582
422 HG12 ILE 53 HG12 ILE 53 -0.139 -14.018 -4.130
423 HG13 ILE 53 HG13 ILE 53 0.927 -14.367 -2.767
424 HG21 ILE 53 HG21 ILE 53 -2.268 -16.997 -3.789
425 HG22 ILE 53 HG22 ILE 53 -0.933 -16.787 -4.922
426 HG23 ILE 53 HG23 ILE 53 -2.059 -15.461 -4.630
427 HD11 ILE 53 HD11 ILE 53 1.530 -16.522 -4.139
428 HD12 ILE 53 HD12 ILE 53 2.262 -14.981 -4.586
429 HD13 ILE 53 HD13 ILE 53 0.894 -15.607 -5.507
430 H LYS 54 H LYS 54 -1.244 -16.927 -0.223
431 HA LYS 54 HA LYS 54 -3.552 -18.505 -0.732
432 HB2 LYS 54 HB2 LYS 54 -1.634 -19.245 0.670
433 HB3 LYS 54 HB3 LYS 54 -2.143 -18.108 1.915
434 HG2 LYS 54 HG2 LYS 54 -4.337 -19.251 2.048
435 HG3 LYS 54 HG3 LYS 54 -3.786 -20.418 0.846
436 HD2 LYS 54 HD2 LYS 54 -1.884 -21.006 2.380
437 HD3 LYS 54 HD3 LYS 54 -2.608 -19.958 3.601
438 HE2 LYS 54 HE2 LYS 54 -4.757 -21.489 2.870
439 HE3 LYS 54 HE3 LYS 54 -3.434 -22.645 2.699
440 HZ1 LYS 54 HZ1 LYS 54 -2.771 -22.272 4.928
441 HZ2 LYS 54 HZ2 LYS 54 -4.449 -22.536 4.957
442 HZ3 LYS 54 HZ3 LYS 54 -3.832 -20.961 5.107
443 H LYS 55 H LYS 55 -3.026 -15.849 1.567
444 HA LYS 55 HA LYS 55 -5.953 -15.765 2.094
445 HB2 LYS 55 HB2 LYS 55 -3.572 -14.504 3.487
446 HB3 LYS 55 HB3 LYS 55 -5.244 -14.178 3.927
447 HG2 LYS 55 HG2 LYS 55 -5.580 -16.625 4.306
448 HG3 LYS 55 HG3 LYS 55 -3.866 -16.876 3.978
449 HD2 LYS 55 HD2 LYS 55 -3.319 -15.310 5.844
450 HD3 LYS 55 HD3 LYS 55 -5.042 -15.197 6.210
451 HE2 LYS 55 HE2 LYS 55 -5.036 -17.181 7.286
452 HE3 LYS 55 HE3 LYS 55 -4.162 -17.968 5.971
453 HZ1 LYS 55 HZ1 LYS 55 -2.528 -18.052 7.488
454 HZ2 LYS 55 HZ2 LYS 55 -3.154 -16.772 8.413
455 HZ3 LYS 55 HZ3 LYS 55 -2.243 -16.449 7.015
456 H ASN 56 H ASN 56 -7.052 -14.324 0.804
457 HA ASN 56 HA ASN 56 -5.717 -11.734 0.206
458 HB2 ASN 56 HB2 ASN 56 -6.283 -11.861 -2.133
459 HB3 ASN 56 HB3 ASN 56 -5.357 -13.297 -1.713
460 HD21 ASN 56 HD21 ASN 56 -7.045 -13.399 -3.967
461 HD22 ASN 56 HD22 ASN 56 -8.378 -14.395 -3.632
462 H VAL 57 H VAL 57 -7.172 -10.043 -0.377
463 HA VAL 57 HA VAL 57 -10.061 -10.564 -0.038
464 HB VAL 57 HB VAL 57 -8.561 -8.483 1.564
465 HG11 VAL 57 HG11 VAL 57 -11.308 -8.779 0.849
466 HG12 VAL 57 HG12 VAL 57 -10.587 -7.583 1.927
467 HG13 VAL 57 HG13 VAL 57 -11.158 -9.121 2.572
468 HG21 VAL 57 HG21 VAL 57 -9.398 -10.010 3.490
469 HG22 VAL 57 HG22 VAL 57 -7.984 -10.534 2.578
470 HG23 VAL 57 HG23 VAL 57 -9.563 -11.245 2.242
471 H LEU 58 H LEU 58 -11.324 -9.102 -1.239
472 HA LEU 58 HA LEU 58 -10.153 -7.705 -3.393
473 HB2 LEU 58 HB2 LEU 58 -12.570 -8.204 -3.276
474 HB3 LEU 58 HB3 LEU 58 -12.743 -7.040 -1.964
475 HG LEU 58 HG LEU 58 -11.873 -5.252 -3.489
476 HD11 LEU 58 HD11 LEU 58 -11.732 -7.619 -5.320
477 HD12 LEU 58 HD12 LEU 58 -10.626 -6.254 -5.166
478 HD13 LEU 58 HD13 LEU 58 -12.160 -6.055 -6.011
479 HD21 LEU 58 HD21 LEU 58 -13.979 -5.671 -5.171
480 HD22 LEU 58 HD22 LEU 58 -14.150 -5.054 -3.528
481 HD23 LEU 58 HD23 LEU 58 -14.393 -6.769 -3.855
482 H TRP 59 H TRP 59 -9.484 -5.533 -3.634
483 HA TRP 59 HA TRP 59 -8.916 -4.195 -1.059
484 HB2 TRP 59 HB2 TRP 59 -7.663 -4.105 -3.777
485 HB3 TRP 59 HB3 TRP 59 -7.418 -2.769 -2.654
486 HD1 TRP 59 HD1 TRP 59 -5.791 -5.818 -3.607
487 HE1 TRP 59 HE1 TRP 59 -4.312 -6.753 -1.712
488 HE3 TRP 59 HE3 TRP 59 -7.608 -3.148 0.365
489 HZ2 TRP 59 HZ2 TRP 59 -3.960 -6.430 1.097
490 HZ3 TRP 59 HZ3 TRP 59 -6.689 -3.498 2.634
491 HH2 TRP 59 HH2 TRP 59 -4.868 -5.141 3.006
492 H ASP 60 H ASP 60 -9.477 -2.089 -0.651
493 HA ASP 60 HA ASP 60 -11.008 -0.566 -2.673
494 HB2 ASP 60 HB2 ASP 60 -12.636 -1.973 -1.325
495 HB3 ASP 60 HB3 ASP 60 -12.118 -1.077 0.102
496 H GLU 61 H GLU 61 -11.401 1.724 -1.776
497 HA GLU 61 HA GLU 61 -8.962 2.842 -0.867
498 HB2 GLU 61 HB2 GLU 61 -11.776 3.947 -0.617
499 HB3 GLU 61 HB3 GLU 61 -10.299 4.888 -0.404
500 HG2 GLU 61 HG2 GLU 61 -9.622 4.321 -2.722
501 HG3 GLU 61 HG3 GLU 61 -11.133 3.437 -2.932
502 H ASN 62 H ASN 62 -11.844 1.842 0.948
503 HA ASN 62 HA ASN 62 -10.798 2.804 3.489
504 HB2 ASN 62 HB2 ASN 62 -13.037 0.845 2.899
505 HB3 ASN 62 HB3 ASN 62 -12.715 1.590 4.465
506 HD21 ASN 62 HD21 ASN 62 -12.160 4.241 3.746
507 HD22 ASN 62 HD22 ASN 62 -13.528 4.934 3.007
508 H ASN 63 H ASN 63 -11.094 -0.418 1.969
509 HA ASN 63 HA ASN 63 -10.010 -1.898 4.144
510 HB2 ASN 63 HB2 ASN 63 -11.172 -2.824 2.084
511 HB3 ASN 63 HB3 ASN 63 -9.653 -2.583 1.220
512 HD21 ASN 63 HD21 ASN 63 -10.064 -5.134 1.137
513 HD22 ASN 63 HD22 ASN 63 -9.318 -6.021 2.384
514 H MET 64 H MET 64 -8.385 -0.420 1.338
515 HA MET 64 HA MET 64 -5.781 -1.385 1.973
516 HB2 MET 64 HB2 MET 64 -6.728 1.037 0.435
517 HB3 MET 64 HB3 MET 64 -5.026 0.625 0.586
518 HG2 MET 64 HG2 MET 64 -5.752 -1.729 -0.252
519 HG3 MET 64 HG3 MET 64 -7.215 -0.911 -0.792
520 HE1 MET 64 HE1 MET 64 -3.593 -1.195 -0.641
521 HE2 MET 64 HE2 MET 64 -3.295 0.528 -0.866
522 HE3 MET 64 HE3 MET 64 -2.934 -0.595 -2.171
523 H SER 65 H SER 65 -7.551 1.479 3.083
524 HA SER 65 HA SER 65 -5.368 2.811 4.325
525 HB2 SER 65 HB2 SER 65 -7.032 3.968 5.653
526 HB3 SER 65 HB3 SER 65 -7.687 3.744 4.033
527 HG SER 65 HG SER 65 -8.378 1.600 5.254
528 H GLU 66 H GLU 66 -7.360 0.099 5.406
529 HA GLU 66 HA GLU 66 -6.434 0.073 8.122
530 HB2 GLU 66 HB2 GLU 66 -7.438 -2.184 6.361
531 HB3 GLU 66 HB3 GLU 66 -7.196 -2.306 8.104
532 HG2 GLU 66 HG2 GLU 66 -8.797 -0.432 8.436
533 HG3 GLU 66 HG3 GLU 66 -9.077 -0.389 6.694
534 H TYR 67 H TYR 67 -5.234 -1.494 5.153
535 HA TYR 67 HA TYR 67 -3.156 -2.993 6.450
536 HB2 TYR 67 HB2 TYR 67 -3.933 -3.398 4.105
537 HB3 TYR 67 HB3 TYR 67 -3.132 -1.902 3.622
538 HD1 TYR 67 HD2 TYR 67 -0.659 -1.663 3.884
539 HD2 TYR 67 HD1 TYR 67 -2.675 -5.403 4.544
540 HE1 TYR 67 HE2 TYR 67 1.511 -2.859 3.747
541 HE2 TYR 67 HE1 TYR 67 -0.504 -6.595 4.411
542 HH TYR 67 HH TYR 67 1.675 -6.411 4.048
543 H LEU 68 H LEU 68 -3.212 0.266 5.013
544 HA LEU 68 HA LEU 68 -0.480 0.874 5.178
545 HB2 LEU 68 HB2 LEU 68 -2.849 2.686 5.711
546 HB3 LEU 68 HB3 LEU 68 -1.210 3.239 5.384
547 HG LEU 68 HG LEU 68 -2.819 1.490 3.507
548 HD11 LEU 68 HD11 LEU 68 -2.215 4.130 2.516
549 HD12 LEU 68 HD12 LEU 68 -3.098 4.251 4.039
550 HD13 LEU 68 HD13 LEU 68 -3.785 3.347 2.690
551 HD21 LEU 68 HD21 LEU 68 -0.606 1.114 2.914
552 HD22 LEU 68 HD22 LEU 68 -0.076 2.694 3.487
553 HD23 LEU 68 HD23 LEU 68 -0.945 2.557 1.959
554 H THR 69 H THR 69 -2.908 0.840 7.755
555 HA THR 69 HA THR 69 -1.483 2.178 9.771
556 HB THR 69 HB THR 69 -3.167 -0.318 10.110
557 HG1 THR 69 HG1 THR 69 -4.529 1.839 10.647
558 HG21 THR 69 HG21 THR 69 -1.832 1.500 11.928
559 HG22 THR 69 HG22 THR 69 -2.663 -0.016 12.276
560 HG23 THR 69 HG23 THR 69 -3.573 1.493 12.199
561 H ASN 70 H ASN 70 -1.234 -1.205 8.716
562 HA ASN 70 HA ASN 70 1.524 -1.307 9.702
563 HB2 ASN 70 HB2 ASN 70 -0.011 -1.885 11.684
564 HB3 ASN 70 HB3 ASN 70 -0.407 -3.357 10.800
565 HD21 ASN 70 HD21 ASN 70 0.752 -4.182 12.955
566 HD22 ASN 70 HD22 ASN 70 2.430 -4.441 12.814
567 H HIS 71 H HIS 71 2.620 -3.283 8.922
568 HA HIS 71 HA HIS 71 1.538 -4.118 6.342
569 HB2 HIS 71 HB2 HIS 71 4.094 -4.497 7.831
570 HB3 HIS 71 HB3 HIS 71 3.692 -5.690 6.598
571 HD1 HIS 71 HD1 HIS 71 4.188 -1.941 7.000
572 HD2 HIS 71 HD2 HIS 71 4.063 -4.811 3.970
573 HE1 HIS 71 HE1 HIS 71 4.910 -0.770 4.866
574 H ALA 72 H ALA 72 0.786 -6.168 5.792
575 HA ALA 72 HA ALA 72 -0.154 -8.287 6.103
576 HB1 ALA 72 HB1 ALA 72 1.412 -8.500 8.668
577 HB2 ALA 72 HB2 ALA 72 2.197 -8.646 7.096
578 HB3 ALA 72 HB3 ALA 72 0.936 -9.786 7.562
579 H LYS 73 H LYS 73 -1.029 -5.711 7.753
580 HA LYS 73 HA LYS 73 -2.267 -6.659 10.140
581 HB2 LYS 73 HB2 LYS 73 -2.030 -4.242 9.493
582 HB3 LYS 73 HB3 LYS 73 -3.319 -4.481 8.315
583 HG2 LYS 73 HG2 LYS 73 -4.828 -5.223 10.139
584 HG3 LYS 73 HG3 LYS 73 -3.543 -4.917 11.308
585 HD2 LYS 73 HD2 LYS 73 -3.483 -2.535 10.521
586 HD3 LYS 73 HD3 LYS 73 -4.892 -2.878 9.519
587 HE2 LYS 73 HE2 LYS 73 -6.082 -3.649 11.612
588 HE3 LYS 73 HE3 LYS 73 -4.713 -3.032 12.537
589 HZ1 LYS 73 HZ1 LYS 73 -6.490 -1.474 10.742
590 HZ2 LYS 73 HZ2 LYS 73 -5.088 -0.854 11.476
591 HZ3 LYS 73 HZ3 LYS 73 -6.399 -1.359 12.432
592 H TYR 74 H TYR 74 -3.510 -6.466 6.801
593 HA TYR 74 HA TYR 74 -5.985 -7.854 7.644
594 HB2 TYR 74 HB2 TYR 74 -5.466 -5.939 5.713
595 HB3 TYR 74 HB3 TYR 74 -5.594 -7.423 4.769
596 HD1 TYR 74 HD2 TYR 74 -7.309 -5.711 7.638
597 HD2 TYR 74 HD1 TYR 74 -7.720 -8.101 4.092
598 HE1 TYR 74 HE2 TYR 74 -9.777 -5.649 7.881
599 HE2 TYR 74 HE1 TYR 74 -10.188 -8.038 4.336
600 HH TYR 74 HH TYR 74 -11.818 -5.939 5.977
601 H ILE 75 H ILE 75 -2.901 -8.574 6.336
602 HA ILE 75 HA ILE 75 -3.839 -11.339 5.681
603 HB ILE 75 HB ILE 75 -1.491 -10.914 4.215
604 HG12 ILE 75 HG12 ILE 75 -3.372 -8.607 3.690
605 HG13 ILE 75 HG13 ILE 75 -1.946 -8.438 4.713
606 HG21 ILE 75 HG21 ILE 75 -3.169 -10.836 2.270
607 HG22 ILE 75 HG22 ILE 75 -4.419 -10.963 3.507
608 HG23 ILE 75 HG23 ILE 75 -3.223 -12.248 3.326
609 HD11 ILE 75 HD11 ILE 75 -1.363 -7.783 2.444
610 HD12 ILE 75 HD12 ILE 75 -1.984 -9.309 1.813
611 HD13 ILE 75 HD13 ILE 75 -0.545 -9.297 2.835
612 HA PRO 76 HA PRO 76 -0.683 -11.424 9.083
613 HB2 PRO 76 HB2 PRO 76 -2.228 -13.816 9.861
614 HB3 PRO 76 HB3 PRO 76 -1.798 -12.393 10.826
615 HG2 PRO 76 HG2 PRO 76 -4.306 -12.875 9.974
616 HG3 PRO 76 HG3 PRO 76 -3.664 -11.242 10.207
617 HD2 PRO 76 HD2 PRO 76 -4.120 -12.742 7.658
618 HD3 PRO 76 HD3 PRO 76 -4.261 -11.000 7.987
619 H GLY 77 H GLY 77 1.109 -12.799 9.223
620 HA2 GLY 77 HA2 GLY 77 2.292 -14.870 8.840
621 HA3 GLY 77 HA3 GLY 77 1.045 -15.335 7.681
622 H THR 78 H THR 78 1.531 -12.227 6.913
623 HA THR 78 HA THR 78 3.368 -12.963 4.732
624 HB THR 78 HB THR 78 2.790 -10.742 3.803
625 HG1 THR 78 HG1 THR 78 1.468 -9.407 4.904
626 HG21 THR 78 HG21 THR 78 0.519 -11.279 3.247
627 HG22 THR 78 HG22 THR 78 0.316 -12.214 4.727
628 HG23 THR 78 HG23 THR 78 1.373 -12.807 3.448
629 H LYS 79 H LYS 79 5.037 -11.190 4.142
630 HA LYS 79 HA LYS 79 6.863 -10.937 6.363
631 HB2 LYS 79 HB2 LYS 79 6.916 -9.596 3.647
632 HB3 LYS 79 HB3 LYS 79 8.278 -9.724 4.756
633 HG2 LYS 79 HG2 LYS 79 8.127 -12.203 4.613
634 HG3 LYS 79 HG3 LYS 79 6.819 -12.035 3.441
635 HD2 LYS 79 HD2 LYS 79 8.394 -10.658 2.018
636 HD3 LYS 79 HD3 LYS 79 9.687 -11.113 3.128
637 HE2 LYS 79 HE2 LYS 79 8.257 -13.484 2.407
638 HE3 LYS 79 HE3 LYS 79 8.655 -12.609 0.926
639 HZ1 LYS 79 HZ1 LYS 79 10.958 -12.375 2.007
640 HZ2 LYS 79 HZ2 LYS 79 10.534 -13.868 1.318
641 HZ3 LYS 79 HZ3 LYS 79 10.468 -13.658 3.002
642 H MET 80 H MET 80 7.375 -9.121 7.586
643 HA MET 80 HA MET 80 5.814 -6.626 7.063
644 HB2 MET 80 HB2 MET 80 6.289 -7.974 9.743
645 HB3 MET 80 HB3 MET 80 5.590 -6.367 9.541
646 HG2 MET 80 HG2 MET 80 3.788 -7.384 8.133
647 HG3 MET 80 HG3 MET 80 4.447 -8.976 8.505
648 HE1 MET 80 HE1 MET 80 5.053 -9.700 10.703
649 HE2 MET 80 HE2 MET 80 4.051 -9.523 12.141
650 HE3 MET 80 HE3 MET 80 5.326 -8.352 11.815
651 H ALA 81 H ALA 81 6.927 -4.668 7.893
652 HA ALA 81 HA ALA 81 9.569 -4.882 9.048
653 HB1 ALA 81 HB1 ALA 81 10.432 -5.568 6.991
654 HB2 ALA 81 HB2 ALA 81 10.651 -3.819 6.914
655 HB3 ALA 81 HB3 ALA 81 9.298 -4.577 6.072
656 H PHE 82 H PHE 82 7.508 -2.797 6.969
657 HA PHE 82 HA PHE 82 8.695 -0.352 7.860
658 HB2 PHE 82 HB2 PHE 82 7.203 -0.574 5.847
659 HB3 PHE 82 HB3 PHE 82 5.830 -0.710 6.945
660 HD1 PHE 82 HD2 PHE 82 8.550 1.498 5.763
661 HD2 PHE 82 HD1 PHE 82 5.008 1.197 8.168
662 HE1 PHE 82 HE2 PHE 82 8.498 3.964 5.994
663 HE2 PHE 82 HE1 PHE 82 4.967 3.653 8.406
664 HZ PHE 82 HZ PHE 82 6.700 5.042 7.315
665 H GLY 83 H GLY 83 5.265 -0.785 8.564
666 HA2 GLY 83 HA2 GLY 83 4.065 -0.512 10.561
667 HA3 GLY 83 HA3 GLY 83 5.494 -1.119 11.399
668 H GLY 84 H GLY 84 4.395 1.876 9.722
669 HA2 GLY 84 HA2 GLY 84 5.504 3.405 12.018
670 HA3 GLY 84 HA3 GLY 84 6.084 3.809 10.404
671 H LEU 85 H LEU 85 3.308 3.221 9.281
672 HA LEU 85 HA LEU 85 2.313 5.921 9.474
673 HB2 LEU 85 HB2 LEU 85 0.786 3.514 8.474
674 HB3 LEU 85 HB3 LEU 85 0.582 5.197 8.001
675 HG LEU 85 HG LEU 85 2.936 3.396 7.395
676 HD11 LEU 85 HD11 LEU 85 1.019 3.153 5.907
677 HD12 LEU 85 HD12 LEU 85 2.320 3.989 5.059
678 HD13 LEU 85 HD13 LEU 85 0.943 4.902 5.682
679 HD21 LEU 85 HD21 LEU 85 2.607 6.389 7.065
680 HD22 LEU 85 HD22 LEU 85 3.796 5.453 6.163
681 HD23 LEU 85 HD23 LEU 85 3.894 5.544 7.918
682 H LYS 86 H LYS 86 2.471 4.873 12.092
683 HA LYS 86 HA LYS 86 0.079 3.774 13.118
684 HB2 LYS 86 HB2 LYS 86 1.998 5.755 14.381
685 HB3 LYS 86 HB3 LYS 86 0.754 4.871 15.260
686 HG2 LYS 86 HG2 LYS 86 1.777 2.730 14.483
687 HG3 LYS 86 HG3 LYS 86 3.075 3.661 13.735
688 HD2 LYS 86 HD2 LYS 86 3.598 4.653 15.965
689 HD3 LYS 86 HD3 LYS 86 2.374 3.606 16.684
690 HE2 LYS 86 HE2 LYS 86 4.083 1.999 15.041
691 HE3 LYS 86 HE3 LYS 86 5.093 2.976 16.106
692 HZ1 LYS 86 HZ1 LYS 86 2.983 2.093 17.648
693 HZ2 LYS 86 HZ2 LYS 86 4.597 1.564 17.717
694 HZ3 LYS 86 HZ3 LYS 86 3.471 0.744 16.743
695 H LYS 87 H LYS 87 0.872 7.057 12.139
696 HA LYS 87 HA LYS 87 -1.599 8.160 13.280
697 HB2 LYS 87 HB2 LYS 87 0.483 9.364 11.432
698 HB3 LYS 87 HB3 LYS 87 -0.871 10.252 12.131
699 HG2 LYS 87 HG2 LYS 87 -0.049 9.636 14.406
700 HG3 LYS 87 HG3 LYS 87 1.356 8.876 13.658
701 HD2 LYS 87 HD2 LYS 87 1.916 11.062 12.586
702 HD3 LYS 87 HD3 LYS 87 0.577 11.799 13.467
703 HE2 LYS 87 HE2 LYS 87 1.630 11.561 15.536
704 HE3 LYS 87 HE3 LYS 87 2.652 10.238 14.975
705 HZ1 LYS 87 HZ1 LYS 87 3.066 13.089 14.800
706 HZ2 LYS 87 HZ2 LYS 87 3.398 12.248 13.361
707 HZ3 LYS 87 HZ3 LYS 87 4.197 11.825 14.799
708 H GLU 88 H GLU 88 -3.497 8.440 12.183
709 HA GLU 88 HA GLU 88 -3.955 7.048 9.718
710 HB2 GLU 88 HB2 GLU 88 -5.622 9.121 11.151
711 HB3 GLU 88 HB3 GLU 88 -6.190 8.149 9.796
712 HG2 GLU 88 HG2 GLU 88 -5.706 6.090 11.100
713 HG3 GLU 88 HG3 GLU 88 -5.219 7.092 12.468
714 H LYS 89 H LYS 89 -3.024 10.337 10.439
715 HA LYS 89 HA LYS 89 -3.874 11.700 8.140
716 HB2 LYS 89 HB2 LYS 89 -2.620 12.666 10.114
717 HB3 LYS 89 HB3 LYS 89 -1.144 12.016 9.409
718 HG2 LYS 89 HG2 LYS 89 -1.586 13.303 7.333
719 HG3 LYS 89 HG3 LYS 89 -3.019 14.001 8.091
720 HD2 LYS 89 HD2 LYS 89 -1.548 14.888 9.920
721 HD3 LYS 89 HD3 LYS 89 -0.148 14.314 9.012
722 HE2 LYS 89 HE2 LYS 89 -0.244 16.462 8.185
723 HE3 LYS 89 HE3 LYS 89 -1.349 15.686 7.050
724 HZ1 LYS 89 HZ1 LYS 89 -2.870 16.327 9.251
725 HZ2 LYS 89 HZ2 LYS 89 -2.881 17.107 7.742
726 HZ3 LYS 89 HZ3 LYS 89 -1.887 17.685 8.992
727 H ASP 90 H ASP 90 -0.839 9.878 8.570
728 HA ASP 90 HA ASP 90 0.118 10.247 5.910
729 HB2 ASP 90 HB2 ASP 90 0.568 7.949 7.836
730 HB3 ASP 90 HB3 ASP 90 1.486 8.225 6.359
731 H ARG 91 H ARG 91 -1.915 7.716 7.339
732 HA ARG 91 HA ARG 91 -2.084 6.014 5.082
733 HB2 ARG 91 HB2 ARG 91 -4.237 6.616 7.132
734 HB3 ARG 91 HB3 ARG 91 -4.177 5.198 6.085
735 HG2 ARG 91 HG2 ARG 91 -2.018 4.546 7.109
736 HG3 ARG 91 HG3 ARG 91 -2.117 5.944 8.181
737 HD2 ARG 91 HD2 ARG 91 -4.438 4.989 8.855
738 HD3 ARG 91 HD3 ARG 91 -3.861 3.488 8.132
739 HE ARG 91 HE ARG 91 -1.804 4.078 9.797
740 HH11 ARG 91 HH21 ARG 91 -5.230 4.147 10.183
741 HH12 ARG 91 HH22 ARG 91 -5.177 3.810 11.881
742 HH21 ARG 91 HH11 ARG 91 -1.717 3.640 12.011
743 HH22 ARG 91 HH12 ARG 91 -3.188 3.524 12.916
744 H ASN 92 H ASN 92 -4.096 8.815 5.979
745 HA ASN 92 HA ASN 92 -5.880 8.585 3.744
746 HB2 ASN 92 HB2 ASN 92 -5.132 10.948 5.481
747 HB3 ASN 92 HB3 ASN 92 -6.436 10.965 4.301
748 HD21 ASN 92 HD21 ASN 92 -7.174 11.400 6.928
749 HD22 ASN 92 HD22 ASN 92 -7.957 10.033 7.561
750 H ASP 93 H ASP 93 -2.966 10.561 4.271
751 HA ASP 93 HA ASP 93 -3.077 11.913 1.754
752 HB2 ASP 93 HB2 ASP 93 -0.715 11.265 3.542
753 HB3 ASP 93 HB3 ASP 93 -0.662 12.388 2.183
754 H LEU 94 H LEU 94 -1.474 8.907 2.748
755 HA LEU 94 HA LEU 94 -0.009 8.380 0.392
756 HB2 LEU 94 HB2 LEU 94 -1.077 6.808 2.643
757 HB3 LEU 94 HB3 LEU 94 -0.844 5.885 1.160
758 HG LEU 94 HG LEU 94 1.329 7.724 2.099
759 HD11 LEU 94 HD11 LEU 94 0.490 5.093 3.281
760 HD12 LEU 94 HD12 LEU 94 1.089 6.540 4.098
761 HD13 LEU 94 HD13 LEU 94 2.206 5.504 3.208
762 HD21 LEU 94 HD21 LEU 94 1.809 5.010 0.997
763 HD22 LEU 94 HD22 LEU 94 2.607 6.537 0.613
764 HD23 LEU 94 HD23 LEU 94 1.040 6.156 -0.102
765 H ILE 95 H ILE 95 -3.167 6.978 1.225
766 HA ILE 95 HA ILE 95 -3.676 5.803 -1.255
767 HB ILE 95 HB ILE 95 -5.687 6.972 0.673
768 HG12 ILE 95 HG12 ILE 95 -4.241 4.300 0.559
769 HG13 ILE 95 HG13 ILE 95 -4.080 5.528 1.807
770 HG21 ILE 95 HG21 ILE 95 -5.998 5.728 -1.834
771 HG22 ILE 95 HG22 ILE 95 -7.253 6.013 -0.629
772 HG23 ILE 95 HG23 ILE 95 -6.369 4.488 -0.639
773 HD11 ILE 95 HD11 ILE 95 -5.775 4.567 2.928
774 HD12 ILE 95 HD12 ILE 95 -6.058 3.437 1.603
775 HD13 ILE 95 HD13 ILE 95 -6.851 5.013 1.605
776 H THR 96 H THR 96 -4.244 9.137 -0.224
777 HA THR 96 HA THR 96 -5.871 9.973 -2.373
778 HB THR 96 HB THR 96 -3.646 11.589 -1.096
779 HG1 THR 96 HG1 THR 96 -4.786 11.579 0.653
780 HG21 THR 96 HG21 THR 96 -5.086 13.477 -1.607
781 HG22 THR 96 HG22 THR 96 -6.334 12.394 -2.223
782 HG23 THR 96 HG23 THR 96 -4.802 12.552 -3.080
783 H TYR 97 H TYR 97 -2.354 9.587 -2.138
784 HA TYR 97 HA TYR 97 -1.946 10.528 -4.882
785 HB2 TYR 97 HB2 TYR 97 -0.209 11.026 -3.285
786 HB3 TYR 97 HB3 TYR 97 -0.080 9.327 -2.826
787 HD1 TYR 97 HD2 TYR 97 0.512 11.764 -5.567
788 HD2 TYR 97 HD1 TYR 97 1.140 7.761 -4.149
789 HE1 TYR 97 HE2 TYR 97 2.164 11.380 -7.378
790 HE2 TYR 97 HE1 TYR 97 2.788 7.374 -5.955
791 HH TYR 97 HH TYR 97 3.683 8.196 -7.835
792 H LEU 98 H LEU 98 -1.632 7.414 -3.156
793 HA LEU 98 HA LEU 98 -0.797 5.827 -5.317
794 HB2 LEU 98 HB2 LEU 98 -2.753 5.044 -3.142
795 HB3 LEU 98 HB3 LEU 98 -1.833 3.929 -4.141
796 HG LEU 98 HG LEU 98 -0.572 6.012 -2.328
797 HD11 LEU 98 HD11 LEU 98 -0.559 3.041 -1.845
798 HD12 LEU 98 HD12 LEU 98 -1.909 4.022 -1.274
799 HD13 LEU 98 HD13 LEU 98 -0.274 4.350 -0.699
800 HD21 LEU 98 HD21 LEU 98 1.372 4.300 -2.721
801 HD22 LEU 98 HD22 LEU 98 1.014 5.495 -3.966
802 HD23 LEU 98 HD23 LEU 98 0.437 3.838 -4.143
803 H LYS 99 H LYS 99 -4.167 6.461 -4.302
804 HA LYS 99 HA LYS 99 -5.357 5.084 -6.502
805 HB2 LYS 99 HB2 LYS 99 -6.597 5.742 -4.457
806 HB3 LYS 99 HB3 LYS 99 -6.477 7.426 -4.957
807 HG2 LYS 99 HG2 LYS 99 -7.672 6.869 -7.063
808 HG3 LYS 99 HG3 LYS 99 -7.842 5.206 -6.501
809 HD2 LYS 99 HD2 LYS 99 -9.055 6.067 -4.485
810 HD3 LYS 99 HD3 LYS 99 -8.990 7.683 -5.188
811 HE2 LYS 99 HE2 LYS 99 -10.598 5.313 -6.030
812 HE3 LYS 99 HE3 LYS 99 -11.042 7.020 -6.008
813 HZ1 LYS 99 HZ1 LYS 99 -9.045 5.897 -7.886
814 HZ2 LYS 99 HZ2 LYS 99 -9.787 7.425 -7.946
815 HZ3 LYS 99 HZ3 LYS 99 -10.693 6.023 -8.263
816 H LYS 100 H LYS 100 -4.374 8.466 -6.090
817 HA LYS 100 HA LYS 100 -5.435 9.480 -8.529
818 HB2 LYS 100 HB2 LYS 100 -4.376 10.803 -6.629
819 HB3 LYS 100 HB3 LYS 100 -2.812 10.322 -7.277
820 HG2 LYS 100 HG2 LYS 100 -3.419 11.326 -9.461
821 HG3 LYS 100 HG3 LYS 100 -4.954 11.861 -8.774
822 HD2 LYS 100 HD2 LYS 100 -3.660 13.132 -7.036
823 HD3 LYS 100 HD3 LYS 100 -2.179 12.707 -7.895
824 HE2 LYS 100 HE2 LYS 100 -3.098 13.788 -9.945
825 HE3 LYS 100 HE3 LYS 100 -4.509 14.291 -9.014
826 HZ1 LYS 100 HZ1 LYS 100 -1.859 14.942 -7.959
827 HZ2 LYS 100 HZ2 LYS 100 -3.316 15.805 -7.837
828 HZ3 LYS 100 HZ3 LYS 100 -2.425 15.840 -9.282
829 H ALA 101 H ALA 101 -2.335 7.962 -7.783
830 HA ALA 101 HA ALA 101 -1.255 8.190 -10.451
831 HB1 ALA 101 HB1 ALA 101 -0.374 7.201 -7.928
832 HB2 ALA 101 HB2 ALA 101 0.586 7.435 -9.391
833 HB3 ALA 101 HB3 ALA 101 -0.203 5.887 -9.092
834 H THR 102 H THR 102 -2.847 5.547 -8.672
835 HA THR 102 HA THR 102 -2.862 3.685 -10.845
836 HB THR 102 HB THR 102 -4.907 3.944 -8.616
837 HG1 THR 102 HG1 THR 102 -3.484 2.365 -7.629
838 HG21 THR 102 HG21 THR 102 -5.383 1.641 -9.025
839 HG22 THR 102 HG22 THR 102 -3.987 1.471 -10.089
840 HG23 THR 102 HG23 THR 102 -5.379 2.420 -10.607
841 H GLU 103 H GLU 103 -4.893 6.401 -9.961
842 HA GLU 103 HA GLU 103 -6.918 5.745 -11.994
843 HB2 GLU 103 HB2 GLU 103 -7.511 6.880 -9.841
844 HB3 GLU 103 HB3 GLU 103 -6.582 8.283 -10.370
845 HG2 GLU 103 HG2 GLU 103 -8.028 8.435 -12.396
846 HG3 GLU 103 HG3 GLU 103 -8.998 7.101 -11.771
847 HHA HEC 104 HA HEC 104 2.364 -5.967 1.048
848 HHB HEC 104 HB HEC 104 1.464 0.278 1.570
849 HHC HEC 104 HC HEC 104 7.624 1.040 2.843
850 HHD HEC 104 HD HEC 104 8.526 -5.182 2.122
851 HMA1 HEC 104 1HMA HEC 104 -0.571 -0.759 1.612
852 HMA2 HEC 104 2HMA HEC 104 -1.279 -2.209 0.905
853 HMA3 HEC 104 3HMA HEC 104 -0.364 -1.092 -0.107
854 HAA1 HEC 104 1HAA HEC 104 0.270 -5.626 1.137
855 HAA2 HEC 104 2HAA HEC 104 -0.743 -4.477 1.981
856 HBA1 HEC 104 1HBA HEC 104 -0.696 -3.687 -0.737
857 HBA2 HEC 104 2HBA HEC 104 -2.050 -4.349 0.175
858 HMB1 HEC 104 1HMB HEC 104 1.920 2.515 1.565
859 HMB2 HEC 104 2HMB HEC 104 2.186 2.448 3.308
860 HMB3 HEC 104 3HMB HEC 104 3.090 3.597 2.322
861 HAB HEC 104 HAB HEC 104 6.795 2.982 2.503
862 HBB1 HEC 104 1HBB HEC 104 4.834 4.860 3.306
863 HBB2 HEC 104 2HBB HEC 104 6.125 4.158 4.281
864 HBB3 HEC 104 3HBB HEC 104 4.545 3.376 4.215
865 HMC1 HEC 104 1HMC HEC 104 10.099 0.519 2.615
866 HMC2 HEC 104 2HMC HEC 104 9.540 0.131 4.242
867 HMC3 HEC 104 3HMC HEC 104 10.873 -0.775 3.528
868 HAC HEC 104 HAC HEC 104 10.416 -4.141 1.866
869 HBC1 HEC 104 1HBC HEC 104 12.134 -2.785 3.735
870 HBC2 HEC 104 2HBC HEC 104 10.604 -3.170 4.523
871 HBC3 HEC 104 3HBC HEC 104 11.561 -4.452 3.781
872 HMD1 HEC 104 1HMD HEC 104 8.121 -7.412 1.263
873 HMD2 HEC 104 2HMD HEC 104 6.814 -8.525 1.657
874 HMD3 HEC 104 3HMD HEC 104 7.534 -7.529 2.920
875 HAD1 HEC 104 1HAD HEC 104 4.994 -8.522 0.335
876 HAD2 HEC 104 2HAD HEC 104 3.485 -7.659 0.184
877 HBD1 HEC 104 1HBD HEC 104 3.188 -8.076 2.706
878 HBD2 HEC 104 2HBD HEC 104 4.491 -9.252 2.530
Start of MODEL 18
1 H1 THR -5 H1 THR -5 -16.899 5.101 7.007
2 H2 THR -5 H2 THR -5 -18.076 6.179 6.421
3 H3 THR -5 H3 THR -5 -16.447 6.657 6.506
4 HA THR -5 HA THR -5 -16.611 4.302 4.980
5 HB THR -5 HB THR -5 -18.043 6.381 3.467
6 HG1 THR -5 HG1 THR -5 -20.056 5.618 4.497
7 HG21 THR -5 HG21 THR -5 -18.719 3.469 3.921
8 HG22 THR -5 HG22 THR -5 -17.486 3.994 2.775
9 HG23 THR -5 HG23 THR -5 -19.165 4.480 2.547
10 H GLU -4 H GLU -4 -15.785 4.993 2.658
11 HA GLU -4 HA GLU -4 -13.857 5.859 1.602
12 HB2 GLU -4 HB2 GLU -4 -15.192 8.387 2.620
13 HB3 GLU -4 HB3 GLU -4 -13.965 8.327 1.353
14 HG2 GLU -4 HG2 GLU -4 -15.450 6.845 0.018
15 HG3 GLU -4 HG3 GLU -4 -16.688 6.994 1.265
16 H PHE -3 H PHE -3 -12.249 8.050 2.155
17 HA PHE -3 HA PHE -3 -11.344 7.656 4.960
18 HB2 PHE -3 HB2 PHE -3 -9.026 7.408 4.225
19 HB3 PHE -3 HB3 PHE -3 -10.019 6.164 3.465
20 HD1 PHE -3 HD1 PHE -3 -10.725 6.399 1.086
21 HD2 PHE -3 HD2 PHE -3 -7.984 9.145 2.928
22 HE1 PHE -3 HE1 PHE -3 -10.035 7.213 -1.153
23 HE2 PHE -3 HE2 PHE -3 -7.295 9.960 0.690
24 HZ PHE -3 HZ PHE -3 -8.321 8.993 -1.351
25 H LYS -2 H LYS -2 -9.817 9.407 5.641
26 HA LYS -2 HA LYS -2 -10.678 11.975 4.474
27 HB2 LYS -2 HB2 LYS -2 -8.876 11.458 6.857
28 HB3 LYS -2 HB3 LYS -2 -9.650 12.985 6.436
29 HG2 LYS -2 HG2 LYS -2 -11.156 10.435 7.082
30 HG3 LYS -2 HG3 LYS -2 -10.856 11.730 8.241
31 HD2 LYS -2 HD2 LYS -2 -11.971 13.293 6.527
32 HD3 LYS -2 HD3 LYS -2 -12.537 11.823 5.732
33 HE2 LYS -2 HE2 LYS -2 -14.299 12.011 7.158
34 HE3 LYS -2 HE3 LYS -2 -13.193 11.282 8.321
35 HZ1 LYS -2 HZ1 LYS -2 -12.901 13.219 9.400
36 HZ2 LYS -2 HZ2 LYS -2 -14.413 13.600 8.726
37 HZ3 LYS -2 HZ3 LYS -2 -12.989 14.161 7.991
38 H ALA -1 H ALA -1 -9.264 13.435 3.477
39 HA ALA -1 HA ALA -1 -6.640 12.282 2.679
40 HB1 ALA -1 HB1 ALA -1 -6.773 13.546 0.716
41 HB2 ALA -1 HB2 ALA -1 -7.859 14.733 1.440
42 HB3 ALA -1 HB3 ALA -1 -8.464 13.134 1.004
43 H GLY 1 H GLY 1 -5.391 14.689 1.924
44 HA2 GLY 1 HA2 GLY 1 -5.431 16.625 4.078
45 HA3 GLY 1 HA3 GLY 1 -4.070 15.513 4.235
46 H SER 2 H SER 2 -2.676 15.294 2.238
47 HA SER 2 HA SER 2 -2.779 17.588 0.396
48 HB2 SER 2 HB2 SER 2 -0.701 17.181 2.499
49 HB3 SER 2 HB3 SER 2 -0.187 17.802 0.935
50 HG SER 2 HG SER 2 -1.764 19.447 1.177
51 H ALA 3 H ALA 3 -2.708 16.498 -1.514
52 HA ALA 3 HA ALA 3 -1.535 13.905 -1.848
53 HB1 ALA 3 HB1 ALA 3 -1.784 15.756 -4.182
54 HB2 ALA 3 HB2 ALA 3 -3.257 15.302 -3.324
55 HB3 ALA 3 HB3 ALA 3 -2.237 14.057 -4.045
56 H LYS 4 H LYS 4 -0.258 17.162 -2.192
57 HA LYS 4 HA LYS 4 2.072 16.590 -3.697
58 HB2 LYS 4 HB2 LYS 4 2.725 18.492 -1.648
59 HB3 LYS 4 HB3 LYS 4 2.416 18.789 -3.356
60 HG2 LYS 4 HG2 LYS 4 0.245 18.519 -1.256
61 HG3 LYS 4 HG3 LYS 4 0.886 20.054 -1.829
62 HD2 LYS 4 HD2 LYS 4 -0.186 19.920 -3.837
63 HD3 LYS 4 HD3 LYS 4 0.029 18.175 -3.955
64 HE2 LYS 4 HE2 LYS 4 -1.879 17.718 -2.701
65 HE3 LYS 4 HE3 LYS 4 -1.823 19.270 -1.865
66 HZ1 LYS 4 HZ1 LYS 4 -2.838 20.337 -3.571
67 HZ2 LYS 4 HZ2 LYS 4 -3.522 18.799 -3.800
68 HZ3 LYS 4 HZ3 LYS 4 -2.212 19.302 -4.760
69 H LYS 5 H LYS 5 1.913 16.943 -0.129
70 HA LYS 5 HA LYS 5 4.464 15.771 0.341
71 HB2 LYS 5 HB2 LYS 5 2.030 15.924 2.126
72 HB3 LYS 5 HB3 LYS 5 3.646 15.495 2.673
73 HG2 LYS 5 HG2 LYS 5 4.474 17.692 1.817
74 HG3 LYS 5 HG3 LYS 5 2.809 18.122 1.418
75 HD2 LYS 5 HD2 LYS 5 2.190 17.769 3.814
76 HD3 LYS 5 HD3 LYS 5 3.893 17.486 4.177
77 HE2 LYS 5 HE2 LYS 5 4.492 19.717 3.542
78 HE3 LYS 5 HE3 LYS 5 2.905 20.009 2.829
79 HZ1 LYS 5 HZ1 LYS 5 3.738 20.287 5.533
80 HZ2 LYS 5 HZ2 LYS 5 2.407 19.237 5.416
81 HZ3 LYS 5 HZ3 LYS 5 2.306 20.814 4.790
82 H GLY 6 H GLY 6 1.221 14.373 0.157
83 HA2 GLY 6 HA2 GLY 6 1.865 11.755 1.058
84 HA3 GLY 6 HA3 GLY 6 0.532 12.140 -0.028
85 H ALA 7 H ALA 7 2.113 13.233 -2.155
86 HA ALA 7 HA ALA 7 2.744 10.840 -3.581
87 HB1 ALA 7 HB1 ALA 7 2.881 12.248 -5.343
88 HB2 ALA 7 HB2 ALA 7 4.151 13.197 -4.571
89 HB3 ALA 7 HB3 ALA 7 2.457 13.538 -4.217
90 H THR 8 H THR 8 4.831 13.236 -1.973
91 HA THR 8 HA THR 8 7.269 11.831 -2.659
92 HB THR 8 HB THR 8 8.353 13.413 -1.180
93 HG1 THR 8 HG1 THR 8 7.017 14.810 0.082
94 HG21 THR 8 HG21 THR 8 7.758 14.385 -3.276
95 HG22 THR 8 HG22 THR 8 7.307 15.568 -2.049
96 HG23 THR 8 HG23 THR 8 6.070 14.555 -2.793
97 H LEU 9 H LEU 9 4.992 11.721 0.020
98 HA LEU 9 HA LEU 9 6.550 10.449 1.983
99 HB2 LEU 9 HB2 LEU 9 4.181 11.199 2.276
100 HB3 LEU 9 HB3 LEU 9 3.664 9.830 1.292
101 HG LEU 9 HG LEU 9 4.806 8.301 2.920
102 HD11 LEU 9 HD11 LEU 9 5.089 9.572 5.237
103 HD12 LEU 9 HD12 LEU 9 5.387 10.954 4.183
104 HD13 LEU 9 HD13 LEU 9 6.408 9.522 4.067
105 HD21 LEU 9 HD21 LEU 9 3.036 9.644 4.773
106 HD22 LEU 9 HD22 LEU 9 2.779 8.135 3.897
107 HD23 LEU 9 HD23 LEU 9 2.347 9.675 3.151
108 H PHE 10 H PHE 10 4.688 8.967 -0.667
109 HA PHE 10 HA PHE 10 5.472 6.275 -0.089
110 HB2 PHE 10 HB2 PHE 10 3.573 6.883 -1.589
111 HB3 PHE 10 HB3 PHE 10 4.735 7.482 -2.773
112 HD1 PHE 10 HD1 PHE 10 6.356 5.901 -3.852
113 HD2 PHE 10 HD2 PHE 10 3.171 4.533 -1.309
114 HE1 PHE 10 HE1 PHE 10 6.620 3.606 -4.754
115 HE2 PHE 10 HE2 PHE 10 3.439 2.237 -2.210
116 HZ PHE 10 HZ PHE 10 5.166 1.770 -3.932
117 H LYS 11 H LYS 11 6.817 8.756 -2.240
118 HA LYS 11 HA LYS 11 8.873 7.155 -3.362
119 HB2 LYS 11 HB2 LYS 11 8.784 10.140 -2.879
120 HB3 LYS 11 HB3 LYS 11 9.947 9.323 -3.917
121 HG2 LYS 11 HG2 LYS 11 8.042 8.409 -5.257
122 HG3 LYS 11 HG3 LYS 11 6.942 9.375 -4.273
123 HD2 LYS 11 HD2 LYS 11 8.199 11.424 -4.955
124 HD3 LYS 11 HD3 LYS 11 9.179 10.425 -6.028
125 HE2 LYS 11 HE2 LYS 11 7.061 9.680 -7.159
126 HE3 LYS 11 HE3 LYS 11 6.184 10.854 -6.178
127 HZ1 LYS 11 HZ1 LYS 11 8.013 11.288 -8.405
128 HZ2 LYS 11 HZ2 LYS 11 8.084 12.409 -7.130
129 HZ3 LYS 11 HZ3 LYS 11 6.624 12.152 -7.958
130 H THR 12 H THR 12 8.762 9.019 -0.362
131 HA THR 12 HA THR 12 11.618 8.491 0.127
132 HB THR 12 HB THR 12 11.321 9.933 2.069
133 HG1 THR 12 HG1 THR 12 9.052 10.873 2.112
134 HG21 THR 12 HG21 THR 12 10.891 10.669 -0.625
135 HG22 THR 12 HG22 THR 12 11.472 11.696 0.686
136 HG23 THR 12 HG23 THR 12 9.746 11.606 0.337
137 H ARG 13 H ARG 13 8.923 6.608 0.549
138 HA ARG 13 HA ARG 13 10.201 5.295 2.909
139 HB2 ARG 13 HB2 ARG 13 7.256 5.910 2.596
140 HB3 ARG 13 HB3 ARG 13 7.924 4.849 3.837
141 HG2 ARG 13 HG2 ARG 13 9.363 6.742 4.616
142 HG3 ARG 13 HG3 ARG 13 8.552 7.790 3.451
143 HD2 ARG 13 HD2 ARG 13 6.367 7.203 4.539
144 HD3 ARG 13 HD3 ARG 13 7.268 6.325 5.773
145 HE ARG 13 HE ARG 13 8.214 9.052 5.493
146 HH11 ARG 13 HH21 ARG 13 5.776 6.995 6.801
147 HH12 ARG 13 HH22 ARG 13 5.394 8.059 8.113
148 HH21 ARG 13 HH11 ARG 13 7.729 10.454 7.198
149 HH22 ARG 13 HH12 ARG 13 6.500 10.018 8.338
150 H CYS 14 H CYS 14 7.329 4.690 0.847
151 HA CYS 14 HA CYS 14 7.706 1.853 0.904
152 HB2 CYS 14 HB2 CYS 14 6.308 3.122 -1.386
153 HB3 CYS 14 HB3 CYS 14 5.827 1.730 -0.423
154 H LEU 15 H LEU 15 8.849 4.315 -1.349
155 HA LEU 15 HA LEU 15 9.660 2.615 -3.461
156 HB2 LEU 15 HB2 LEU 15 9.706 5.112 -3.502
157 HB3 LEU 15 HB3 LEU 15 11.134 5.072 -2.470
158 HG LEU 15 HG LEU 15 12.060 3.452 -4.334
159 HD11 LEU 15 HD11 LEU 15 11.031 3.477 -6.380
160 HD12 LEU 15 HD12 LEU 15 10.461 5.133 -6.188
161 HD13 LEU 15 HD13 LEU 15 9.601 3.809 -5.404
162 HD21 LEU 15 HD21 LEU 15 13.104 5.573 -3.857
163 HD22 LEU 15 HD22 LEU 15 11.765 6.456 -4.591
164 HD23 LEU 15 HD23 LEU 15 12.851 5.502 -5.601
165 H GLN 16 H GLN 16 11.186 3.276 -0.349
166 HA GLN 16 HA GLN 16 13.765 2.257 -0.830
167 HB2 GLN 16 HB2 GLN 16 12.047 1.991 1.654
168 HB3 GLN 16 HB3 GLN 16 13.780 1.664 1.598
169 HG2 GLN 16 HG2 GLN 16 14.217 3.974 0.897
170 HG3 GLN 16 HG3 GLN 16 12.486 4.314 0.891
171 HE21 GLN 16 HE21 GLN 16 14.230 5.803 2.580
172 HE22 GLN 16 HE22 GLN 16 13.905 5.394 4.195
173 H CYS 17 H CYS 17 10.738 0.507 -0.217
174 HA CYS 17 HA CYS 17 12.228 -2.059 -0.542
175 HB2 CYS 17 HB2 CYS 17 9.529 -1.387 0.614
176 HB3 CYS 17 HB3 CYS 17 9.980 -3.042 0.215
177 H HIS 18 H HIS 18 8.805 -1.636 -1.230
178 HA HIS 18 HA HIS 18 9.400 -2.425 -4.040
179 HB2 HIS 18 HB2 HIS 18 7.052 -3.203 -4.087
180 HB3 HIS 18 HB3 HIS 18 7.997 -4.026 -2.859
181 HD1 HIS 18 HD1 HIS 18 5.512 -1.176 -3.219
182 HD2 HIS 18 HD2 HIS 18 6.946 -3.790 -0.299
183 HE1 HIS 18 HE1 HIS 18 4.064 -0.823 -1.159
184 H THR 19 H THR 19 8.476 -1.265 -5.730
185 HA THR 19 HA THR 19 7.493 1.447 -4.974
186 HB THR 19 HB THR 19 8.355 2.225 -7.029
187 HG1 THR 19 HG1 THR 19 7.550 -0.103 -7.895
188 HG21 THR 19 HG21 THR 19 10.663 1.349 -7.114
189 HG22 THR 19 HG22 THR 19 10.171 -0.034 -6.137
190 HG23 THR 19 HG23 THR 19 10.139 1.589 -5.447
191 H VAL 20 H VAL 20 5.813 2.396 -6.398
192 HA VAL 20 HA VAL 20 3.821 0.322 -7.203
193 HB VAL 20 HB VAL 20 3.590 3.165 -6.228
194 HG11 VAL 20 HG11 VAL 20 2.181 3.229 -8.149
195 HG12 VAL 20 HG12 VAL 20 1.102 2.884 -6.797
196 HG13 VAL 20 HG13 VAL 20 1.608 1.584 -7.873
197 HG21 VAL 20 HG21 VAL 20 3.406 0.756 -4.967
198 HG22 VAL 20 HG22 VAL 20 1.722 1.012 -5.425
199 HG23 VAL 20 HG23 VAL 20 2.556 2.206 -4.432
200 H GLU 21 H GLU 21 6.090 2.411 -8.506
201 HA GLU 21 HA GLU 21 4.758 3.549 -10.741
202 HB2 GLU 21 HB2 GLU 21 7.599 2.498 -10.540
203 HB3 GLU 21 HB3 GLU 21 6.998 3.549 -11.823
204 HG2 GLU 21 HG2 GLU 21 6.408 5.259 -10.125
205 HG3 GLU 21 HG3 GLU 21 7.074 4.216 -8.868
206 H LYS 22 H LYS 22 4.332 2.727 -12.828
207 HA LYS 22 HA LYS 22 3.718 -0.069 -12.998
208 HB2 LYS 22 HB2 LYS 22 2.635 1.767 -14.356
209 HB3 LYS 22 HB3 LYS 22 4.111 1.841 -15.318
210 HG2 LYS 22 HG2 LYS 22 3.850 -0.566 -15.873
211 HG3 LYS 22 HG3 LYS 22 2.340 -0.595 -14.962
212 HD2 LYS 22 HD2 LYS 22 1.468 1.218 -16.463
213 HD3 LYS 22 HD3 LYS 22 2.935 1.059 -17.431
214 HE2 LYS 22 HE2 LYS 22 2.392 -1.360 -17.769
215 HE3 LYS 22 HE3 LYS 22 0.872 -1.102 -16.915
216 HZ1 LYS 22 HZ1 LYS 22 1.073 0.890 -18.836
217 HZ2 LYS 22 HZ2 LYS 22 -0.001 -0.427 -18.816
218 HZ3 LYS 22 HZ3 LYS 22 1.495 -0.559 -19.610
219 H GLY 23 H GLY 23 5.084 -1.735 -13.391
220 HA2 GLY 23 HA2 GLY 23 6.883 -2.920 -14.366
221 HA3 GLY 23 HA3 GLY 23 7.318 -1.457 -15.253
222 H GLY 24 H GLY 24 6.863 -1.063 -11.859
223 HA2 GLY 24 HA2 GLY 24 9.551 -0.157 -11.476
224 HA3 GLY 24 HA3 GLY 24 8.399 -0.477 -10.181
225 HA PRO 25 HA PRO 25 11.530 -4.103 -10.837
226 HB2 PRO 25 HB2 PRO 25 13.762 -3.298 -9.498
227 HB3 PRO 25 HB3 PRO 25 13.528 -3.018 -11.233
228 HG2 PRO 25 HG2 PRO 25 13.165 -1.145 -8.949
229 HG3 PRO 25 HG3 PRO 25 13.861 -0.849 -10.552
230 HD2 PRO 25 HD2 PRO 25 11.303 -0.125 -9.881
231 HD3 PRO 25 HD3 PRO 25 11.797 -0.532 -11.540
232 H HIS 26 H HIS 26 11.672 -5.699 -9.222
233 HA HIS 26 HA HIS 26 10.443 -5.031 -6.639
234 HB2 HIS 26 HB2 HIS 26 11.609 -7.660 -7.620
235 HB3 HIS 26 HB3 HIS 26 10.577 -7.446 -6.209
236 HD1 HIS 26 HD1 HIS 26 8.278 -5.841 -7.110
237 HD2 HIS 26 HD2 HIS 26 10.035 -8.678 -9.601
238 HE1 HIS 26 HE1 HIS 26 6.537 -6.437 -8.857
239 HE2 HIS 26 HE2 HIS 26 7.600 -8.166 -10.378
240 H LYS 27 H LYS 27 12.464 -3.518 -6.348
241 HA LYS 27 HA LYS 27 15.060 -4.469 -5.886
242 HB2 LYS 27 HB2 LYS 27 14.429 -2.074 -5.846
243 HB3 LYS 27 HB3 LYS 27 13.606 -2.327 -4.307
244 HG2 LYS 27 HG2 LYS 27 15.738 -3.072 -3.297
245 HG3 LYS 27 HG3 LYS 27 16.559 -2.776 -4.831
246 HD2 LYS 27 HD2 LYS 27 15.798 -0.384 -4.701
247 HD3 LYS 27 HD3 LYS 27 15.169 -0.721 -3.088
248 HE2 LYS 27 HE2 LYS 27 17.851 -1.715 -3.231
249 HE3 LYS 27 HE3 LYS 27 17.843 -0.053 -3.821
250 HZ1 LYS 27 HZ1 LYS 27 16.191 -0.348 -1.524
251 HZ2 LYS 27 HZ2 LYS 27 17.498 0.707 -1.782
252 HZ3 LYS 27 HZ3 LYS 27 17.774 -0.864 -1.199
253 H VAL 28 H VAL 28 12.297 -4.458 -3.639
254 HA VAL 28 HA VAL 28 13.800 -6.431 -1.982
255 HB VAL 28 HB VAL 28 12.055 -4.324 -0.739
256 HG11 VAL 28 HG11 VAL 28 14.401 -5.886 0.364
257 HG12 VAL 28 HG12 VAL 28 12.729 -6.433 0.487
258 HG13 VAL 28 HG13 VAL 28 13.226 -4.934 1.273
259 HG21 VAL 28 HG21 VAL 28 14.223 -3.132 -0.211
260 HG22 VAL 28 HG22 VAL 28 13.759 -3.069 -1.911
261 HG23 VAL 28 HG23 VAL 28 15.014 -4.188 -1.380
262 H GLY 29 H GLY 29 10.585 -4.888 -2.320
263 HA2 GLY 29 HA2 GLY 29 9.386 -7.605 -1.918
264 HA3 GLY 29 HA3 GLY 29 8.617 -6.113 -1.377
265 HA PRO 30 HA PRO 30 7.285 -7.531 -5.765
266 HB2 PRO 30 HB2 PRO 30 4.597 -7.679 -4.956
267 HB3 PRO 30 HB3 PRO 30 5.672 -9.056 -5.216
268 HG2 PRO 30 HG2 PRO 30 4.861 -7.739 -2.695
269 HG3 PRO 30 HG3 PRO 30 5.266 -9.434 -3.012
270 HD2 PRO 30 HD2 PRO 30 6.970 -7.757 -1.720
271 HD3 PRO 30 HD3 PRO 30 7.546 -9.079 -2.762
272 H ASN 31 H ASN 31 6.550 -5.945 -7.174
273 HA ASN 31 HA ASN 31 5.763 -3.361 -5.944
274 HB2 ASN 31 HB2 ASN 31 6.443 -3.983 -8.833
275 HB3 ASN 31 HB3 ASN 31 6.315 -2.386 -8.097
276 HD21 ASN 31 HD21 ASN 31 7.690 -2.886 -5.639
277 HD22 ASN 31 HD22 ASN 31 9.318 -3.211 -5.993
278 H LEU 32 H LEU 32 3.655 -2.773 -5.918
279 HA LEU 32 HA LEU 32 1.799 -4.148 -7.823
280 HB2 LEU 32 HB2 LEU 32 0.145 -3.195 -5.920
281 HB3 LEU 32 HB3 LEU 32 0.865 -4.801 -5.852
282 HG LEU 32 HG LEU 32 2.271 -2.397 -4.691
283 HD11 LEU 32 HD11 LEU 32 0.085 -4.100 -3.503
284 HD12 LEU 32 HD12 LEU 32 0.255 -2.345 -3.470
285 HD13 LEU 32 HD13 LEU 32 1.307 -3.351 -2.474
286 HD21 LEU 32 HD21 LEU 32 2.528 -5.004 -3.393
287 HD22 LEU 32 HD22 LEU 32 3.786 -3.922 -3.989
288 HD23 LEU 32 HD23 LEU 32 3.004 -5.057 -5.090
289 H HIS 33 H HIS 33 0.205 -2.901 -8.835
290 HA HIS 33 HA HIS 33 0.045 -0.015 -8.327
291 HB2 HIS 33 HB2 HIS 33 1.993 -0.172 -9.817
292 HB3 HIS 33 HB3 HIS 33 1.051 -1.121 -10.960
293 HD1 HIS 33 HD1 HIS 33 0.718 2.275 -9.225
294 HD2 HIS 33 HD2 HIS 33 -0.091 0.475 -12.900
295 HE1 HIS 33 HE1 HIS 33 -0.220 4.092 -10.724
296 HE2 HIS 33 HE2 HIS 33 -0.716 3.007 -12.961
297 H GLY 34 H GLY 34 -2.115 0.327 -8.382
298 HA2 GLY 34 HA2 GLY 34 -4.254 0.455 -9.419
299 HA3 GLY 34 HA3 GLY 34 -3.674 -0.626 -10.687
300 H ILE 35 H ILE 35 -2.832 -1.875 -7.682
301 HA ILE 35 HA ILE 35 -4.673 -4.082 -7.962
302 HB ILE 35 HB ILE 35 -3.703 -4.948 -5.939
303 HG12 ILE 35 HG12 ILE 35 -1.927 -3.082 -4.957
304 HG13 ILE 35 HG13 ILE 35 -3.318 -2.084 -5.382
305 HG21 ILE 35 HG21 ILE 35 -1.332 -4.844 -6.473
306 HG22 ILE 35 HG22 ILE 35 -1.576 -3.367 -7.405
307 HG23 ILE 35 HG23 ILE 35 -2.260 -4.889 -7.971
308 HD11 ILE 35 HD11 ILE 35 -3.450 -4.598 -3.690
309 HD12 ILE 35 HD12 ILE 35 -4.791 -3.512 -4.052
310 HD13 ILE 35 HD13 ILE 35 -3.453 -2.954 -3.050
311 H PHE 36 H PHE 36 -5.105 -0.971 -6.807
312 HA PHE 36 HA PHE 36 -6.640 -1.163 -4.495
313 HB2 PHE 36 HB2 PHE 36 -6.772 0.601 -6.909
314 HB3 PHE 36 HB3 PHE 36 -8.103 0.672 -5.756
315 HD1 PHE 36 HD2 PHE 36 -4.332 0.516 -5.685
316 HD2 PHE 36 HD1 PHE 36 -7.923 2.227 -4.048
317 HE1 PHE 36 HE2 PHE 36 -2.976 1.937 -4.170
318 HE2 PHE 36 HE1 PHE 36 -6.565 3.651 -2.546
319 HZ PHE 36 HZ PHE 36 -4.092 3.498 -2.600
320 H GLY 37 H GLY 37 -7.326 -2.462 -7.624
321 HA2 GLY 37 HA2 GLY 37 -10.057 -3.252 -6.675
322 HA3 GLY 37 HA3 GLY 37 -9.698 -2.916 -8.370
323 H ARG 38 H ARG 38 -7.471 -4.639 -6.266
324 HA ARG 38 HA ARG 38 -8.111 -7.167 -7.730
325 HB2 ARG 38 HB2 ARG 38 -5.388 -6.033 -7.046
326 HB3 ARG 38 HB3 ARG 38 -5.649 -7.676 -7.621
327 HG2 ARG 38 HG2 ARG 38 -6.688 -5.307 -9.171
328 HG3 ARG 38 HG3 ARG 38 -5.029 -5.870 -9.372
329 HD2 ARG 38 HD2 ARG 38 -5.980 -8.184 -9.816
330 HD3 ARG 38 HD3 ARG 38 -7.575 -7.435 -9.881
331 HE ARG 38 HE ARG 38 -5.541 -7.275 -11.948
332 HH11 ARG 38 HH21 ARG 38 -8.178 -5.700 -10.382
333 HH12 ARG 38 HH22 ARG 38 -8.599 -4.743 -11.763
334 HH21 ARG 38 HH11 ARG 38 -6.076 -6.034 -13.760
335 HH22 ARG 38 HH12 ARG 38 -7.410 -4.932 -13.676
336 H HIS 39 H HIS 39 -7.105 -9.102 -6.549
337 HA HIS 39 HA HIS 39 -7.870 -8.897 -3.714
338 HB2 HIS 39 HB2 HIS 39 -7.268 -11.165 -5.590
339 HB3 HIS 39 HB3 HIS 39 -7.290 -11.433 -3.849
340 HD1 HIS 39 HD1 HIS 39 -9.540 -9.589 -6.319
341 HD2 HIS 39 HD2 HIS 39 -9.841 -12.155 -3.055
342 HE1 HIS 39 HE1 HIS 39 -12.009 -10.020 -5.980
343 HE2 HIS 39 HE2 HIS 39 -12.206 -11.579 -3.987
344 H SER 40 H SER 40 -6.461 -9.532 -2.001
345 HA SER 40 HA SER 40 -3.818 -8.520 -2.166
346 HB2 SER 40 HB2 SER 40 -5.476 -9.441 -0.145
347 HB3 SER 40 HB3 SER 40 -4.159 -10.606 -0.144
348 HG SER 40 HG SER 40 -2.710 -8.914 0.092
349 H GLY 41 H GLY 41 -1.926 -9.423 -2.793
350 HA2 GLY 41 HA2 GLY 41 -0.391 -11.273 -2.985
351 HA3 GLY 41 HA3 GLY 41 -1.760 -12.375 -2.998
352 H GLN 42 H GLN 42 -2.570 -9.871 -5.044
353 HA GLN 42 HA GLN 42 -1.737 -11.533 -7.369
354 HB2 GLN 42 HB2 GLN 42 -3.784 -9.311 -7.134
355 HB3 GLN 42 HB3 GLN 42 -3.405 -10.172 -8.628
356 HG2 GLN 42 HG2 GLN 42 -4.022 -12.305 -7.575
357 HG3 GLN 42 HG3 GLN 42 -4.385 -11.463 -6.068
358 HE21 GLN 42 HE21 GLN 42 -6.421 -12.943 -7.404
359 HE22 GLN 42 HE22 GLN 42 -7.574 -11.857 -8.013
360 H ALA 43 H ALA 43 0.008 -10.923 -8.471
361 HA ALA 43 HA ALA 43 0.505 -8.056 -8.982
362 HB1 ALA 43 HB1 ALA 43 3.062 -8.908 -8.501
363 HB2 ALA 43 HB2 ALA 43 2.169 -9.780 -7.254
364 HB3 ALA 43 HB3 ALA 43 2.081 -8.021 -7.337
365 H GLU 44 H GLU 44 1.968 -7.764 -10.833
366 HA GLU 44 HA GLU 44 1.862 -10.117 -12.643
367 HB2 GLU 44 HB2 GLU 44 0.907 -7.950 -13.420
368 HB3 GLU 44 HB3 GLU 44 2.508 -7.223 -13.276
369 HG2 GLU 44 HG2 GLU 44 3.386 -8.923 -14.877
370 HG3 GLU 44 HG3 GLU 44 1.745 -9.541 -15.077
371 H GLY 45 H GLY 45 4.189 -7.554 -11.714
372 HA2 GLY 45 HA2 GLY 45 6.434 -8.694 -13.020
373 HA3 GLY 45 HA3 GLY 45 6.530 -7.609 -11.633
374 H TYR 46 H TYR 46 5.454 -9.036 -9.577
375 HA TYR 46 HA TYR 46 6.804 -11.681 -9.592
376 HB2 TYR 46 HB2 TYR 46 8.519 -10.380 -8.623
377 HB3 TYR 46 HB3 TYR 46 7.374 -9.390 -7.721
378 HD1 TYR 46 HD2 TYR 46 7.646 -13.124 -8.071
379 HD2 TYR 46 HD1 TYR 46 7.812 -9.723 -5.453
380 HE1 TYR 46 HE2 TYR 46 7.835 -14.635 -6.115
381 HE2 TYR 46 HE1 TYR 46 7.990 -11.231 -3.497
382 HH TYR 46 HH TYR 46 8.669 -14.558 -3.806
383 H SER 47 H SER 47 5.799 -13.219 -8.331
384 HA SER 47 HA SER 47 3.107 -12.569 -7.400
385 HB2 SER 47 HB2 SER 47 3.784 -14.758 -8.508
386 HB3 SER 47 HB3 SER 47 4.620 -15.164 -7.012
387 HG SER 47 HG SER 47 2.408 -15.927 -7.173
388 H TYR 48 H TYR 48 2.478 -12.291 -5.289
389 HA TYR 48 HA TYR 48 4.346 -11.496 -3.319
390 HB2 TYR 48 HB2 TYR 48 1.503 -12.473 -3.101
391 HB3 TYR 48 HB3 TYR 48 2.406 -11.859 -1.721
392 HD1 TYR 48 HD1 TYR 48 1.126 -10.975 -5.100
393 HD2 TYR 48 HD2 TYR 48 2.755 -9.532 -1.402
394 HE1 TYR 48 HE1 TYR 48 0.566 -8.651 -5.760
395 HE2 TYR 48 HE2 TYR 48 2.203 -7.208 -2.062
396 HH TYR 48 HH TYR 48 0.359 -6.165 -3.718
397 H THR 49 H THR 49 4.076 -12.685 -0.994
398 HA THR 49 HA THR 49 5.536 -15.180 -1.273
399 HB THR 49 HB THR 49 4.325 -13.942 1.218
400 HG1 THR 49 HG1 THR 49 6.972 -13.652 0.946
401 HG21 THR 49 HG21 THR 49 6.748 -15.315 1.717
402 HG22 THR 49 HG22 THR 49 5.768 -16.380 0.710
403 HG23 THR 49 HG23 THR 49 5.128 -15.775 2.237
404 H ASP 50 H ASP 50 4.798 -17.277 -0.671
405 HA ASP 50 HA ASP 50 2.233 -18.041 -1.453
406 HB2 ASP 50 HB2 ASP 50 4.099 -19.327 0.555
407 HB3 ASP 50 HB3 ASP 50 2.649 -20.108 -0.071
408 H ALA 51 H ALA 51 3.310 -17.021 1.785
409 HA ALA 51 HA ALA 51 0.923 -17.729 3.179
410 HB1 ALA 51 HB1 ALA 51 3.293 -16.124 3.689
411 HB2 ALA 51 HB2 ALA 51 2.286 -17.014 4.831
412 HB3 ALA 51 HB3 ALA 51 1.851 -15.369 4.368
413 H ASN 52 H ASN 52 1.882 -14.532 1.899
414 HA ASN 52 HA ASN 52 -0.623 -13.262 2.308
415 HB2 ASN 52 HB2 ASN 52 1.429 -12.021 1.755
416 HB3 ASN 52 HB3 ASN 52 1.456 -12.759 0.154
417 HD21 ASN 52 HD21 ASN 52 1.373 -10.149 -0.176
418 HD22 ASN 52 HD22 ASN 52 -0.196 -9.558 -0.460
419 H ILE 53 H ILE 53 0.629 -15.075 -0.476
420 HA ILE 53 HA ILE 53 -1.647 -14.650 -2.160
421 HB ILE 53 HB ILE 53 0.331 -16.932 -2.111
422 HG12 ILE 53 HG12 ILE 53 0.222 -14.433 -3.825
423 HG13 ILE 53 HG13 ILE 53 1.269 -14.626 -2.420
424 HG21 ILE 53 HG21 ILE 53 -1.643 -16.027 -4.226
425 HG22 ILE 53 HG22 ILE 53 -1.693 -17.548 -3.336
426 HG23 ILE 53 HG23 ILE 53 -0.386 -17.238 -4.480
427 HD11 ILE 53 HD11 ILE 53 2.406 -15.146 -4.602
428 HD12 ILE 53 HD12 ILE 53 1.287 -16.493 -4.808
429 HD13 ILE 53 HD13 ILE 53 2.423 -16.488 -3.459
430 H LYS 54 H LYS 54 -0.959 -17.005 0.377
431 HA LYS 54 HA LYS 54 -3.023 -18.863 -0.177
432 HB2 LYS 54 HB2 LYS 54 -1.303 -19.195 1.580
433 HB3 LYS 54 HB3 LYS 54 -2.066 -17.929 2.538
434 HG2 LYS 54 HG2 LYS 54 -4.167 -19.231 2.575
435 HG3 LYS 54 HG3 LYS 54 -3.376 -20.515 1.660
436 HD2 LYS 54 HD2 LYS 54 -1.677 -20.696 3.500
437 HD3 LYS 54 HD3 LYS 54 -2.627 -19.536 4.430
438 HE2 LYS 54 HE2 LYS 54 -4.579 -21.285 3.771
439 HE3 LYS 54 HE3 LYS 54 -3.200 -22.384 3.806
440 HZ1 LYS 54 HZ1 LYS 54 -2.659 -21.545 6.022
441 HZ2 LYS 54 HZ2 LYS 54 -4.211 -22.235 5.976
442 HZ3 LYS 54 HZ3 LYS 54 -4.028 -20.546 5.987
443 H LYS 55 H LYS 55 -3.089 -15.811 1.623
444 HA LYS 55 HA LYS 55 -6.072 -15.981 1.695
445 HB2 LYS 55 HB2 LYS 55 -4.789 -15.652 3.870
446 HB3 LYS 55 HB3 LYS 55 -4.294 -14.082 3.244
447 HG2 LYS 55 HG2 LYS 55 -6.680 -13.455 2.971
448 HG3 LYS 55 HG3 LYS 55 -7.150 -15.006 3.669
449 HD2 LYS 55 HD2 LYS 55 -5.843 -14.408 5.726
450 HD3 LYS 55 HD3 LYS 55 -5.569 -12.809 5.034
451 HE2 LYS 55 HE2 LYS 55 -7.474 -12.514 6.403
452 HE3 LYS 55 HE3 LYS 55 -8.141 -12.693 4.779
453 HZ1 LYS 55 HZ1 LYS 55 -8.207 -14.554 7.035
454 HZ2 LYS 55 HZ2 LYS 55 -8.111 -15.212 5.471
455 HZ3 LYS 55 HZ3 LYS 55 -9.407 -14.196 5.892
456 H ASN 56 H ASN 56 -7.120 -14.694 0.240
457 HA ASN 56 HA ASN 56 -5.714 -12.229 -0.714
458 HB2 ASN 56 HB2 ASN 56 -7.531 -13.372 -2.673
459 HB3 ASN 56 HB3 ASN 56 -5.851 -12.889 -2.865
460 HD21 ASN 56 HD21 ASN 56 -7.951 -15.612 -1.968
461 HD22 ASN 56 HD22 ASN 56 -6.745 -16.800 -2.087
462 H VAL 57 H VAL 57 -6.955 -10.423 -0.545
463 HA VAL 57 HA VAL 57 -9.908 -10.764 -0.312
464 HB VAL 57 HB VAL 57 -8.222 -8.785 1.228
465 HG11 VAL 57 HG11 VAL 57 -10.204 -7.752 1.509
466 HG12 VAL 57 HG12 VAL 57 -10.720 -9.161 2.437
467 HG13 VAL 57 HG13 VAL 57 -11.065 -9.069 0.710
468 HG21 VAL 57 HG21 VAL 57 -7.710 -10.657 2.439
469 HG22 VAL 57 HG22 VAL 57 -9.081 -11.565 1.799
470 HG23 VAL 57 HG23 VAL 57 -9.324 -10.406 3.106
471 H LEU 58 H LEU 58 -11.097 -9.363 -1.566
472 HA LEU 58 HA LEU 58 -9.914 -7.945 -3.696
473 HB2 LEU 58 HB2 LEU 58 -12.313 -8.509 -3.630
474 HB3 LEU 58 HB3 LEU 58 -12.547 -7.348 -2.324
475 HG LEU 58 HG LEU 58 -11.716 -5.535 -3.826
476 HD11 LEU 58 HD11 LEU 58 -11.246 -7.892 -5.558
477 HD12 LEU 58 HD12 LEU 58 -10.417 -6.336 -5.524
478 HD13 LEU 58 HD13 LEU 58 -11.958 -6.496 -6.368
479 HD21 LEU 58 HD21 LEU 58 -14.107 -7.222 -4.511
480 HD22 LEU 58 HD22 LEU 58 -13.718 -5.829 -5.522
481 HD23 LEU 58 HD23 LEU 58 -14.050 -5.607 -3.804
482 H TRP 59 H TRP 59 -9.290 -5.786 -3.950
483 HA TRP 59 HA TRP 59 -8.834 -4.357 -1.396
484 HB2 TRP 59 HB2 TRP 59 -7.480 -4.349 -4.068
485 HB3 TRP 59 HB3 TRP 59 -7.301 -2.961 -2.997
486 HD1 TRP 59 HD1 TRP 59 -5.603 -6.020 -3.765
487 HE1 TRP 59 HE1 TRP 59 -4.167 -6.847 -1.794
488 HE3 TRP 59 HE3 TRP 59 -7.570 -3.202 0.015
489 HZ2 TRP 59 HZ2 TRP 59 -3.901 -6.396 1.012
490 HZ3 TRP 59 HZ3 TRP 59 -6.716 -3.433 2.326
491 HH2 TRP 59 HH2 TRP 59 -4.886 -5.032 2.828
492 H ASP 60 H ASP 60 -9.384 -2.191 -1.151
493 HA ASP 60 HA ASP 60 -10.854 -0.798 -3.290
494 HB2 ASP 60 HB2 ASP 60 -12.552 -2.202 -2.042
495 HB3 ASP 60 HB3 ASP 60 -12.149 -1.283 -0.590
496 H GLU 61 H GLU 61 -11.172 1.522 -2.666
497 HA GLU 61 HA GLU 61 -8.885 2.643 -1.449
498 HB2 GLU 61 HB2 GLU 61 -11.674 3.816 -1.694
499 HB3 GLU 61 HB3 GLU 61 -10.223 4.741 -1.299
500 HG2 GLU 61 HG2 GLU 61 -9.204 4.027 -3.448
501 HG3 GLU 61 HG3 GLU 61 -10.692 3.167 -3.848
502 H ASN 62 H ASN 62 -12.014 1.760 -0.044
503 HA ASN 62 HA ASN 62 -11.378 2.844 2.577
504 HB2 ASN 62 HB2 ASN 62 -13.713 2.386 1.624
505 HB3 ASN 62 HB3 ASN 62 -13.412 0.687 1.988
506 HD21 ASN 62 HD21 ASN 62 -15.316 1.057 3.551
507 HD22 ASN 62 HD22 ASN 62 -14.954 1.675 5.096
508 H ASN 63 H ASN 63 -11.373 -0.448 1.171
509 HA ASN 63 HA ASN 63 -10.547 -1.784 3.551
510 HB2 ASN 63 HB2 ASN 63 -10.126 -2.500 0.638
511 HB3 ASN 63 HB3 ASN 63 -9.817 -3.591 1.986
512 HD21 ASN 63 HD21 ASN 63 -11.762 -4.319 0.084
513 HD22 ASN 63 HD22 ASN 63 -13.309 -4.211 0.788
514 H MET 64 H MET 64 -8.659 -0.370 0.885
515 HA MET 64 HA MET 64 -6.116 -1.271 1.795
516 HB2 MET 64 HB2 MET 64 -6.925 1.143 0.166
517 HB3 MET 64 HB3 MET 64 -5.249 0.710 0.465
518 HG2 MET 64 HG2 MET 64 -5.897 -1.626 -0.439
519 HG3 MET 64 HG3 MET 64 -7.333 -0.828 -1.072
520 HE1 MET 64 HE1 MET 64 -3.412 0.402 -0.823
521 HE2 MET 64 HE2 MET 64 -2.983 -0.469 -2.291
522 HE3 MET 64 HE3 MET 64 -3.715 -1.337 -0.945
523 H SER 65 H SER 65 -8.086 1.513 2.718
524 HA SER 65 HA SER 65 -6.127 2.996 4.119
525 HB2 SER 65 HB2 SER 65 -9.018 2.599 4.942
526 HB3 SER 65 HB3 SER 65 -7.974 3.941 5.401
527 HG SER 65 HG SER 65 -7.823 3.869 2.827
528 H GLU 66 H GLU 66 -8.043 0.179 5.143
529 HA GLU 66 HA GLU 66 -7.145 0.170 7.868
530 HB2 GLU 66 HB2 GLU 66 -8.059 -2.112 6.088
531 HB3 GLU 66 HB3 GLU 66 -7.860 -2.217 7.838
532 HG2 GLU 66 HG2 GLU 66 -9.705 -0.274 6.420
533 HG3 GLU 66 HG3 GLU 66 -10.218 -1.777 7.185
534 H TYR 67 H TYR 67 -5.851 -1.282 4.894
535 HA TYR 67 HA TYR 67 -3.818 -2.856 6.137
536 HB2 TYR 67 HB2 TYR 67 -4.517 -3.003 3.725
537 HB3 TYR 67 HB3 TYR 67 -3.641 -1.502 3.434
538 HD1 TYR 67 HD1 TYR 67 -3.291 -5.053 4.448
539 HD2 TYR 67 HD2 TYR 67 -1.234 -1.432 3.391
540 HE1 TYR 67 HE1 TYR 67 -1.167 -6.315 4.258
541 HE2 TYR 67 HE2 TYR 67 0.890 -2.698 3.203
542 HH TYR 67 HH TYR 67 1.198 -5.716 2.752
543 H LEU 68 H LEU 68 -3.726 0.492 4.871
544 HA LEU 68 HA LEU 68 -1.003 1.004 5.406
545 HB2 LEU 68 HB2 LEU 68 -3.331 2.928 5.666
546 HB3 LEU 68 HB3 LEU 68 -1.640 3.372 5.466
547 HG LEU 68 HG LEU 68 -3.327 1.828 3.480
548 HD11 LEU 68 HD11 LEU 68 -3.921 4.089 3.261
549 HD12 LEU 68 HD12 LEU 68 -2.622 3.910 2.083
550 HD13 LEU 68 HD13 LEU 68 -2.298 4.652 3.650
551 HD21 LEU 68 HD21 LEU 68 -0.389 2.411 3.677
552 HD22 LEU 68 HD22 LEU 68 -1.144 2.366 2.084
553 HD23 LEU 68 HD23 LEU 68 -1.199 0.945 3.126
554 H THR 69 H THR 69 -3.829 1.285 7.558
555 HA THR 69 HA THR 69 -2.427 2.324 9.812
556 HB THR 69 HB THR 69 -4.787 0.416 9.846
557 HG1 THR 69 HG1 THR 69 -6.039 2.112 9.425
558 HG21 THR 69 HG21 THR 69 -5.304 1.863 11.899
559 HG22 THR 69 HG22 THR 69 -3.639 2.428 11.771
560 HG23 THR 69 HG23 THR 69 -3.972 0.718 12.046
561 H ASN 70 H ASN 70 -3.005 -0.942 8.626
562 HA ASN 70 HA ASN 70 -0.883 -1.923 10.485
563 HB2 ASN 70 HB2 ASN 70 -3.572 -2.667 10.545
564 HB3 ASN 70 HB3 ASN 70 -2.797 -3.966 9.641
565 HD21 ASN 70 HD21 ASN 70 -0.188 -3.718 10.994
566 HD22 ASN 70 HD22 ASN 70 -0.406 -4.298 12.580
567 H HIS 71 H HIS 71 0.677 -1.703 8.829
568 HA HIS 71 HA HIS 71 0.241 -2.880 6.189
569 HB2 HIS 71 HB2 HIS 71 1.604 -0.902 6.329
570 HB3 HIS 71 HB3 HIS 71 2.638 -1.631 7.553
571 HD1 HIS 71 HD1 HIS 71 3.984 -3.865 6.669
572 HD2 HIS 71 HD2 HIS 71 2.559 -1.238 3.757
573 HE1 HIS 71 HE1 HIS 71 5.289 -4.363 4.551
574 H ALA 72 H ALA 72 0.862 -4.895 5.524
575 HA ALA 72 HA ALA 72 1.620 -7.097 5.664
576 HB1 ALA 72 HB1 ALA 72 3.737 -5.525 7.083
577 HB2 ALA 72 HB2 ALA 72 3.826 -6.384 5.547
578 HB3 ALA 72 HB3 ALA 72 3.823 -7.282 7.066
579 H LYS 73 H LYS 73 -0.356 -6.203 7.577
580 HA LYS 73 HA LYS 73 0.184 -8.199 9.729
581 HB2 LYS 73 HB2 LYS 73 0.425 -5.858 10.599
582 HB3 LYS 73 HB3 LYS 73 -1.237 -5.552 10.107
583 HG2 LYS 73 HG2 LYS 73 -1.458 -6.125 12.377
584 HG3 LYS 73 HG3 LYS 73 -1.815 -7.640 11.550
585 HD2 LYS 73 HD2 LYS 73 0.416 -8.471 11.956
586 HD3 LYS 73 HD3 LYS 73 0.942 -6.903 12.568
587 HE2 LYS 73 HE2 LYS 73 -0.913 -7.176 14.337
588 HE3 LYS 73 HE3 LYS 73 -0.960 -8.870 13.845
589 HZ1 LYS 73 HZ1 LYS 73 1.714 -8.057 14.210
590 HZ2 LYS 73 HZ2 LYS 73 0.848 -9.264 15.032
591 HZ3 LYS 73 HZ3 LYS 73 0.823 -7.662 15.596
592 H TYR 74 H TYR 74 -2.152 -6.420 7.775
593 HA TYR 74 HA TYR 74 -4.533 -7.710 8.638
594 HB2 TYR 74 HB2 TYR 74 -4.423 -5.712 7.119
595 HB3 TYR 74 HB3 TYR 74 -3.883 -6.780 5.824
596 HD1 TYR 74 HD2 TYR 74 -5.386 -8.471 4.867
597 HD2 TYR 74 HD1 TYR 74 -6.719 -5.777 7.938
598 HE1 TYR 74 HE2 TYR 74 -7.741 -9.078 4.379
599 HE2 TYR 74 HE1 TYR 74 -9.072 -6.387 7.452
600 HH TYR 74 HH TYR 74 -10.386 -7.947 6.404
601 H ILE 75 H ILE 75 -1.949 -8.760 6.524
602 HA ILE 75 HA ILE 75 -3.467 -11.261 5.906
603 HB ILE 75 HB ILE 75 -1.050 -11.139 4.418
604 HG12 ILE 75 HG12 ILE 75 -2.649 -8.563 4.277
605 HG13 ILE 75 HG13 ILE 75 -1.032 -8.713 4.969
606 HG21 ILE 75 HG21 ILE 75 -3.850 -10.474 3.482
607 HG22 ILE 75 HG22 ILE 75 -3.296 -12.118 3.802
608 HG23 ILE 75 HG23 ILE 75 -2.536 -11.165 2.530
609 HD11 ILE 75 HD11 ILE 75 -1.829 -9.250 2.097
610 HD12 ILE 75 HD12 ILE 75 -0.234 -9.601 2.765
611 HD13 ILE 75 HD13 ILE 75 -0.809 -7.935 2.683
612 HA PRO 76 HA PRO 76 -0.514 -12.680 9.160
613 HB2 PRO 76 HB2 PRO 76 -2.049 -15.186 8.692
614 HB3 PRO 76 HB3 PRO 76 -1.662 -14.370 10.218
615 HG2 PRO 76 HG2 PRO 76 -4.118 -14.314 9.151
616 HG3 PRO 76 HG3 PRO 76 -3.450 -12.959 10.075
617 HD2 PRO 76 HD2 PRO 76 -3.869 -13.202 7.134
618 HD3 PRO 76 HD3 PRO 76 -3.882 -11.755 8.164
619 H GLY 77 H GLY 77 1.404 -13.799 8.865
620 HA2 GLY 77 HA2 GLY 77 2.864 -15.415 7.859
621 HA3 GLY 77 HA3 GLY 77 1.638 -15.716 6.624
622 H THR 78 H THR 78 1.767 -12.453 6.945
623 HA THR 78 HA THR 78 3.361 -12.177 4.490
624 HB THR 78 HB THR 78 1.199 -10.948 4.804
625 HG1 THR 78 HG1 THR 78 3.283 -10.149 3.683
626 HG21 THR 78 HG21 THR 78 1.001 -9.206 6.404
627 HG22 THR 78 HG22 THR 78 2.725 -9.247 6.767
628 HG23 THR 78 HG23 THR 78 1.684 -10.569 7.288
629 H LYS 79 H LYS 79 5.074 -10.462 4.392
630 HA LYS 79 HA LYS 79 6.799 -10.636 6.786
631 HB2 LYS 79 HB2 LYS 79 7.318 -9.295 4.117
632 HB3 LYS 79 HB3 LYS 79 8.520 -9.679 5.345
633 HG2 LYS 79 HG2 LYS 79 8.009 -12.089 5.067
634 HG3 LYS 79 HG3 LYS 79 6.848 -11.685 3.802
635 HD2 LYS 79 HD2 LYS 79 8.747 -10.514 2.586
636 HD3 LYS 79 HD3 LYS 79 9.842 -11.238 3.763
637 HE2 LYS 79 HE2 LYS 79 8.127 -13.306 2.820
638 HE3 LYS 79 HE3 LYS 79 8.723 -12.431 1.406
639 HZ1 LYS 79 HZ1 LYS 79 10.985 -12.625 2.441
640 HZ2 LYS 79 HZ2 LYS 79 10.308 -14.085 1.895
641 HZ3 LYS 79 HZ3 LYS 79 10.313 -13.714 3.554
642 H MET 80 H MET 80 7.146 -8.904 8.168
643 HA MET 80 HA MET 80 5.857 -6.301 7.426
644 HB2 MET 80 HB2 MET 80 4.740 -7.545 9.300
645 HB3 MET 80 HB3 MET 80 6.243 -7.421 10.214
646 HG2 MET 80 HG2 MET 80 6.126 -4.930 9.970
647 HG3 MET 80 HG3 MET 80 4.553 -5.119 9.197
648 HE1 MET 80 HE1 MET 80 5.997 -5.428 13.356
649 HE2 MET 80 HE2 MET 80 6.802 -5.958 11.882
650 HE3 MET 80 HE3 MET 80 5.846 -7.105 12.815
651 H ALA 81 H ALA 81 7.014 -4.385 7.963
652 HA ALA 81 HA ALA 81 9.471 -4.419 9.461
653 HB1 ALA 81 HB1 ALA 81 10.676 -3.713 7.100
654 HB2 ALA 81 HB2 ALA 81 9.600 -5.007 6.577
655 HB3 ALA 81 HB3 ALA 81 10.790 -5.308 7.843
656 H PHE 82 H PHE 82 6.927 -2.790 8.778
657 HA PHE 82 HA PHE 82 8.249 -0.230 8.018
658 HB2 PHE 82 HB2 PHE 82 6.113 -0.885 6.847
659 HB3 PHE 82 HB3 PHE 82 5.283 -0.735 8.399
660 HD1 PHE 82 HD1 PHE 82 7.254 1.103 5.848
661 HD2 PHE 82 HD2 PHE 82 4.783 1.396 9.341
662 HE1 PHE 82 HE1 PHE 82 7.136 3.562 5.553
663 HE2 PHE 82 HE2 PHE 82 4.666 3.854 9.057
664 HZ PHE 82 HZ PHE 82 5.843 4.939 7.155
665 H GLY 83 H GLY 83 8.306 1.523 9.446
666 HA2 GLY 83 HA2 GLY 83 8.477 1.028 12.213
667 HA3 GLY 83 HA3 GLY 83 8.266 2.632 11.514
668 H GLY 84 H GLY 84 5.747 2.624 10.489
669 HA2 GLY 84 HA2 GLY 84 3.603 1.387 11.618
670 HA3 GLY 84 HA3 GLY 84 4.114 2.446 12.930
671 H LEU 85 H LEU 85 2.606 2.308 9.799
672 HA LEU 85 HA LEU 85 2.445 5.227 9.487
673 HB2 LEU 85 HB2 LEU 85 2.421 3.249 7.673
674 HB3 LEU 85 HB3 LEU 85 0.684 3.368 7.951
675 HG LEU 85 HG LEU 85 0.828 5.826 7.512
676 HD11 LEU 85 HD11 LEU 85 3.209 6.041 6.083
677 HD12 LEU 85 HD12 LEU 85 3.657 5.159 7.540
678 HD13 LEU 85 HD13 LEU 85 2.889 6.734 7.674
679 HD21 LEU 85 HD21 LEU 85 0.123 4.803 5.579
680 HD22 LEU 85 HD22 LEU 85 1.507 3.708 5.532
681 HD23 LEU 85 HD23 LEU 85 1.684 5.383 5.003
682 H LYS 86 H LYS 86 1.224 3.614 11.825
683 HA LYS 86 HA LYS 86 -1.582 3.635 11.713
684 HB2 LYS 86 HB2 LYS 86 0.247 4.302 14.040
685 HB3 LYS 86 HB3 LYS 86 -1.475 3.959 14.187
686 HG2 LYS 86 HG2 LYS 86 -1.086 1.734 13.123
687 HG3 LYS 86 HG3 LYS 86 0.644 2.075 13.121
688 HD2 LYS 86 HD2 LYS 86 0.548 2.366 15.601
689 HD3 LYS 86 HD3 LYS 86 -1.150 1.888 15.558
690 HE2 LYS 86 HE2 LYS 86 -0.627 -0.308 14.824
691 HE3 LYS 86 HE3 LYS 86 1.020 0.146 14.385
692 HZ1 LYS 86 HZ1 LYS 86 1.498 -0.710 16.387
693 HZ2 LYS 86 HZ2 LYS 86 -0.086 -0.533 16.975
694 HZ3 LYS 86 HZ3 LYS 86 0.975 0.794 16.972
695 H LYS 87 H LYS 87 0.675 6.307 12.003
696 HA LYS 87 HA LYS 87 -1.066 8.311 12.989
697 HB2 LYS 87 HB2 LYS 87 1.163 8.545 10.941
698 HB3 LYS 87 HB3 LYS 87 0.407 9.911 11.763
699 HG2 LYS 87 HG2 LYS 87 1.076 8.912 13.952
700 HG3 LYS 87 HG3 LYS 87 1.928 7.641 13.076
701 HD2 LYS 87 HD2 LYS 87 3.295 9.397 11.940
702 HD3 LYS 87 HD3 LYS 87 2.504 10.614 12.943
703 HE2 LYS 87 HE2 LYS 87 3.380 8.584 14.708
704 HE3 LYS 87 HE3 LYS 87 4.723 8.898 13.609
705 HZ1 LYS 87 HZ1 LYS 87 4.444 10.344 15.709
706 HZ2 LYS 87 HZ2 LYS 87 3.245 11.143 14.808
707 HZ3 LYS 87 HZ3 LYS 87 4.846 11.092 14.241
708 H GLU 88 H GLU 88 -2.935 9.051 12.151
709 HA GLU 88 HA GLU 88 -3.978 8.214 9.636
710 HB2 GLU 88 HB2 GLU 88 -5.337 9.007 11.583
711 HB3 GLU 88 HB3 GLU 88 -4.799 10.646 11.225
712 HG2 GLU 88 HG2 GLU 88 -5.743 10.420 8.930
713 HG3 GLU 88 HG3 GLU 88 -6.369 8.833 9.375
714 H LYS 89 H LYS 89 -2.037 10.996 10.537
715 HA LYS 89 HA LYS 89 -2.554 12.698 8.344
716 HB2 LYS 89 HB2 LYS 89 -1.111 13.214 10.350
717 HB3 LYS 89 HB3 LYS 89 0.157 12.243 9.608
718 HG2 LYS 89 HG2 LYS 89 0.082 13.704 7.602
719 HG3 LYS 89 HG3 LYS 89 -1.135 14.704 8.396
720 HD2 LYS 89 HD2 LYS 89 0.489 15.098 10.267
721 HD3 LYS 89 HD3 LYS 89 1.708 14.230 9.333
722 HE2 LYS 89 HE2 LYS 89 0.779 16.011 7.473
723 HE3 LYS 89 HE3 LYS 89 0.642 16.955 8.957
724 HZ1 LYS 89 HZ1 LYS 89 2.808 17.315 8.784
725 HZ2 LYS 89 HZ2 LYS 89 2.973 16.197 7.516
726 HZ3 LYS 89 HZ3 LYS 89 3.064 15.674 9.130
727 H ASP 90 H ASP 90 0.033 10.248 8.622
728 HA ASP 90 HA ASP 90 0.906 10.517 5.905
729 HB2 ASP 90 HB2 ASP 90 1.127 8.181 7.828
730 HB3 ASP 90 HB3 ASP 90 1.982 8.300 6.292
731 H ARG 91 H ARG 91 -1.325 8.226 7.469
732 HA ARG 91 HA ARG 91 -1.906 6.634 5.207
733 HB2 ARG 91 HB2 ARG 91 -3.715 7.442 7.500
734 HB3 ARG 91 HB3 ARG 91 -4.050 6.131 6.369
735 HG2 ARG 91 HG2 ARG 91 -2.039 4.950 7.068
736 HG3 ARG 91 HG3 ARG 91 -1.578 6.294 8.113
737 HD2 ARG 91 HD2 ARG 91 -2.616 4.572 9.478
738 HD3 ARG 91 HD3 ARG 91 -3.698 5.959 9.400
739 HE ARG 91 HE ARG 91 -4.150 3.333 8.127
740 HH11 ARG 91 HH21 ARG 91 -4.995 6.662 8.487
741 HH12 ARG 91 HH22 ARG 91 -6.613 6.447 7.909
742 HH21 ARG 91 HH11 ARG 91 -6.259 3.043 7.373
743 HH22 ARG 91 HH12 ARG 91 -7.327 4.404 7.278
744 H ASN 92 H ASN 92 -3.343 9.739 6.195
745 HA ASN 92 HA ASN 92 -5.410 9.703 4.200
746 HB2 ASN 92 HB2 ASN 92 -4.130 11.961 5.745
747 HB3 ASN 92 HB3 ASN 92 -5.496 12.183 4.657
748 HD21 ASN 92 HD21 ASN 92 -6.120 12.858 7.183
749 HD22 ASN 92 HD22 ASN 92 -7.011 11.647 7.971
750 H ASP 93 H ASP 93 -2.360 11.580 4.281
751 HA ASP 93 HA ASP 93 -2.677 12.487 1.574
752 HB2 ASP 93 HB2 ASP 93 -0.348 13.258 1.752
753 HB3 ASP 93 HB3 ASP 93 -1.268 13.690 3.189
754 H LEU 94 H LEU 94 -1.135 9.654 2.967
755 HA LEU 94 HA LEU 94 0.427 8.807 0.775
756 HB2 LEU 94 HB2 LEU 94 0.474 7.673 2.937
757 HB3 LEU 94 HB3 LEU 94 -1.193 7.155 2.730
758 HG LEU 94 HG LEU 94 -0.580 5.801 0.798
759 HD11 LEU 94 HD11 LEU 94 2.030 7.227 1.159
760 HD12 LEU 94 HD12 LEU 94 1.153 6.855 -0.325
761 HD13 LEU 94 HD13 LEU 94 2.046 5.585 0.512
762 HD21 LEU 94 HD21 LEU 94 1.578 5.130 2.749
763 HD22 LEU 94 HD22 LEU 94 0.374 4.078 2.006
764 HD23 LEU 94 HD23 LEU 94 -0.086 5.144 3.333
765 H ILE 95 H ILE 95 -2.915 7.860 1.534
766 HA ILE 95 HA ILE 95 -3.338 6.472 -0.916
767 HB ILE 95 HB ILE 95 -5.345 7.749 0.949
768 HG12 ILE 95 HG12 ILE 95 -4.201 4.940 0.794
769 HG13 ILE 95 HG13 ILE 95 -3.823 6.133 2.036
770 HG21 ILE 95 HG21 ILE 95 -5.617 5.603 -1.170
771 HG22 ILE 95 HG22 ILE 95 -6.306 7.224 -1.239
772 HG23 ILE 95 HG23 ILE 95 -6.885 6.070 -0.039
773 HD11 ILE 95 HD11 ILE 95 -6.683 5.896 1.806
774 HD12 ILE 95 HD12 ILE 95 -5.660 5.568 3.203
775 HD13 ILE 95 HD13 ILE 95 -5.981 4.293 2.028
776 H THR 96 H THR 96 -3.744 9.860 -0.034
777 HA THR 96 HA THR 96 -5.392 10.746 -2.111
778 HB THR 96 HB THR 96 -2.902 12.189 -1.161
779 HG1 THR 96 HG1 THR 96 -4.288 12.982 0.477
780 HG21 THR 96 HG21 THR 96 -4.268 14.182 -1.603
781 HG22 THR 96 HG22 THR 96 -5.605 13.155 -2.119
782 HG23 THR 96 HG23 THR 96 -4.112 13.196 -3.057
783 H TYR 97 H TYR 97 -1.911 10.064 -2.159
784 HA TYR 97 HA TYR 97 -1.631 10.816 -4.957
785 HB2 TYR 97 HB2 TYR 97 0.301 11.034 -3.533
786 HB3 TYR 97 HB3 TYR 97 0.187 9.346 -3.038
787 HD1 TYR 97 HD1 TYR 97 0.711 11.537 -6.022
788 HD2 TYR 97 HD2 TYR 97 1.234 7.651 -4.278
789 HE1 TYR 97 HE1 TYR 97 2.117 10.859 -7.952
790 HE2 TYR 97 HE2 TYR 97 2.634 6.968 -6.202
791 HH TYR 97 HH TYR 97 4.099 8.927 -8.190
792 H LEU 98 H LEU 98 -1.750 7.722 -3.183
793 HA LEU 98 HA LEU 98 -1.416 6.003 -5.411
794 HB2 LEU 98 HB2 LEU 98 -3.155 5.540 -2.974
795 HB3 LEU 98 HB3 LEU 98 -2.521 4.294 -4.045
796 HG LEU 98 HG LEU 98 -0.796 6.215 -2.455
797 HD11 LEU 98 HD11 LEU 98 -0.355 4.358 -0.963
798 HD12 LEU 98 HD12 LEU 98 -1.316 3.268 -1.961
799 HD13 LEU 98 HD13 LEU 98 -2.104 4.563 -1.061
800 HD21 LEU 98 HD21 LEU 98 -0.287 3.931 -4.340
801 HD22 LEU 98 HD22 LEU 98 0.871 4.286 -3.059
802 HD23 LEU 98 HD23 LEU 98 0.495 5.509 -4.271
803 H LYS 99 H LYS 99 -4.444 7.221 -3.968
804 HA LYS 99 HA LYS 99 -6.178 6.008 -5.876
805 HB2 LYS 99 HB2 LYS 99 -6.975 6.944 -3.740
806 HB3 LYS 99 HB3 LYS 99 -6.583 8.560 -4.311
807 HG2 LYS 99 HG2 LYS 99 -8.165 8.253 -6.208
808 HG3 LYS 99 HG3 LYS 99 -8.593 6.669 -5.560
809 HD2 LYS 99 HD2 LYS 99 -9.306 7.770 -3.437
810 HD3 LYS 99 HD3 LYS 99 -8.972 9.338 -4.173
811 HE2 LYS 99 HE2 LYS 99 -10.612 7.747 -5.942
812 HE3 LYS 99 HE3 LYS 99 -11.365 7.854 -4.351
813 HZ1 LYS 99 HZ1 LYS 99 -10.338 10.181 -5.883
814 HZ2 LYS 99 HZ2 LYS 99 -11.203 10.227 -4.421
815 HZ3 LYS 99 HZ3 LYS 99 -11.965 9.702 -5.845
816 H LYS 100 H LYS 100 -4.483 9.110 -5.868
817 HA LYS 100 HA LYS 100 -5.713 10.271 -8.153
818 HB2 LYS 100 HB2 LYS 100 -4.052 11.366 -6.570
819 HB3 LYS 100 HB3 LYS 100 -2.782 10.500 -7.427
820 HG2 LYS 100 HG2 LYS 100 -3.524 11.547 -9.553
821 HG3 LYS 100 HG3 LYS 100 -4.736 12.465 -8.657
822 HD2 LYS 100 HD2 LYS 100 -2.895 13.446 -7.272
823 HD3 LYS 100 HD3 LYS 100 -1.728 12.620 -8.306
824 HE2 LYS 100 HE2 LYS 100 -1.937 14.173 -9.932
825 HE3 LYS 100 HE3 LYS 100 -3.699 14.105 -9.864
826 HZ1 LYS 100 HZ1 LYS 100 -3.169 15.364 -7.587
827 HZ2 LYS 100 HZ2 LYS 100 -3.444 16.173 -9.056
828 HZ3 LYS 100 HZ3 LYS 100 -1.856 15.901 -8.516
829 H ALA 101 H ALA 101 -2.943 8.098 -7.850
830 HA ALA 101 HA ALA 101 -2.387 7.974 -10.686
831 HB1 ALA 101 HB1 ALA 101 -1.684 5.636 -8.994
832 HB2 ALA 101 HB2 ALA 101 -1.014 7.184 -8.479
833 HB3 ALA 101 HB3 ALA 101 -0.672 6.571 -10.097
834 H THR 102 H THR 102 -4.072 5.808 -8.412
835 HA THR 102 HA THR 102 -4.909 3.899 -10.370
836 HB THR 102 HB THR 102 -6.367 4.694 -7.828
837 HG1 THR 102 HG1 THR 102 -4.661 3.935 -6.899
838 HG21 THR 102 HG21 THR 102 -7.386 2.551 -7.939
839 HG22 THR 102 HG22 THR 102 -6.264 1.996 -9.181
840 HG23 THR 102 HG23 THR 102 -7.498 3.193 -9.578
841 H GLU 103 H GLU 103 -6.140 7.024 -9.360
842 HA GLU 103 HA GLU 103 -8.740 6.870 -10.531
843 HB2 GLU 103 HB2 GLU 103 -7.959 8.704 -9.016
844 HB3 GLU 103 HB3 GLU 103 -6.960 9.318 -10.334
845 HG2 GLU 103 HG2 GLU 103 -9.010 9.539 -11.737
846 HG3 GLU 103 HG3 GLU 103 -9.979 9.031 -10.353
847 HHA HEC 104 HA HEC 104 2.161 -6.078 0.610
848 HHB HEC 104 HB HEC 104 1.240 0.155 0.958
849 HHC HEC 104 HC HEC 104 7.234 0.918 2.884
850 HHD HEC 104 HD HEC 104 8.177 -5.308 2.370
851 HMA1 HEC 104 1HMA HEC 104 -1.005 -1.148 0.890
852 HMA2 HEC 104 2HMA HEC 104 -1.287 -2.375 -0.344
853 HMA3 HEC 104 3HMA HEC 104 -0.283 -0.973 -0.710
854 HAA1 HEC 104 1HAA HEC 104 0.015 -5.642 0.973
855 HAA2 HEC 104 2HAA HEC 104 -1.169 -4.370 0.774
856 HBA1 HEC 104 1HBA HEC 104 0.459 -5.276 -1.583
857 HBA2 HEC 104 2HBA HEC 104 -1.134 -4.519 -1.561
858 HMB1 HEC 104 1HMB HEC 104 1.774 2.372 2.699
859 HMB2 HEC 104 2HMB HEC 104 2.794 3.479 1.782
860 HMB3 HEC 104 3HMB HEC 104 1.712 2.376 0.936
861 HAB HEC 104 HAB HEC 104 6.441 2.863 2.435
862 HBB1 HEC 104 1HBB HEC 104 4.014 3.324 3.841
863 HBB2 HEC 104 2HBB HEC 104 4.354 4.755 2.867
864 HBB3 HEC 104 3HBB HEC 104 5.551 4.170 4.020
865 HMC1 HEC 104 1HMC HEC 104 10.278 -0.918 4.127
866 HMC2 HEC 104 2HMC HEC 104 9.891 0.256 2.870
867 HMC3 HEC 104 3HMC HEC 104 8.925 0.191 4.345
868 HAC HEC 104 HAC HEC 104 10.115 -4.281 2.326
869 HBC1 HEC 104 1HBC HEC 104 10.017 -3.068 5.003
870 HBC2 HEC 104 2HBC HEC 104 10.548 -4.679 4.519
871 HBC3 HEC 104 3HBC HEC 104 11.654 -3.311 4.396
872 HMD1 HEC 104 1HMD HEC 104 7.622 -7.862 1.220
873 HMD2 HEC 104 2HMD HEC 104 6.346 -8.599 2.190
874 HMD3 HEC 104 3HMD HEC 104 7.422 -7.399 2.910
875 HAD1 HEC 104 1HAD HEC 104 4.843 -8.647 0.211
876 HAD2 HEC 104 2HAD HEC 104 3.294 -7.856 0.039
877 HBD1 HEC 104 1HBD HEC 104 2.531 -8.611 2.090
878 HBD2 HEC 104 2HBD HEC 104 4.151 -8.737 2.762
Start of MODEL 19
1 H1 THR -5 H1 THR -5 -14.880 2.063 8.598
2 H2 THR -5 H2 THR -5 -15.824 3.429 8.236
3 H3 THR -5 H3 THR -5 -14.136 3.571 8.377
4 HA THR -5 HA THR -5 -13.865 2.103 6.441
5 HB THR -5 HB THR -5 -15.658 0.864 5.862
6 HG1 THR -5 HG1 THR -5 -16.196 2.065 4.204
7 HG21 THR -5 HG21 THR -5 -17.339 2.775 7.508
8 HG22 THR -5 HG22 THR -5 -16.584 1.297 8.105
9 HG23 THR -5 HG23 THR -5 -17.867 1.207 6.898
10 H GLU -4 H GLU -4 -15.460 5.008 7.358
11 HA GLU -4 HA GLU -4 -15.695 6.341 4.864
12 HB2 GLU -4 HB2 GLU -4 -14.972 7.487 7.580
13 HB3 GLU -4 HB3 GLU -4 -15.505 8.434 6.190
14 HG2 GLU -4 HG2 GLU -4 -17.626 7.134 6.149
15 HG3 GLU -4 HG3 GLU -4 -17.099 6.266 7.591
16 H PHE -3 H PHE -3 -14.218 7.573 3.654
17 HA PHE -3 HA PHE -3 -11.368 6.985 4.218
18 HB2 PHE -3 HB2 PHE -3 -12.249 6.445 1.972
19 HB3 PHE -3 HB3 PHE -3 -12.668 8.141 1.746
20 HD1 PHE -3 HD1 PHE -3 -9.882 5.738 2.102
21 HD2 PHE -3 HD2 PHE -3 -10.976 9.817 1.317
22 HE1 PHE -3 HE1 PHE -3 -7.572 6.212 1.337
23 HE2 PHE -3 HE2 PHE -3 -8.666 10.290 0.550
24 HZ PHE -3 HZ PHE -3 -6.963 8.487 0.560
25 H LYS -2 H LYS -2 -10.010 8.564 4.921
26 HA LYS -2 HA LYS -2 -11.035 11.367 4.930
27 HB2 LYS -2 HB2 LYS -2 -8.913 10.138 6.709
28 HB3 LYS -2 HB3 LYS -2 -9.619 11.745 6.871
29 HG2 LYS -2 HG2 LYS -2 -11.196 9.164 7.058
30 HG3 LYS -2 HG3 LYS -2 -10.607 10.068 8.452
31 HD2 LYS -2 HD2 LYS -2 -11.862 12.086 7.461
32 HD3 LYS -2 HD3 LYS -2 -12.667 10.917 6.412
33 HE2 LYS -2 HE2 LYS -2 -12.607 10.723 9.433
34 HE3 LYS -2 HE3 LYS -2 -13.949 11.396 8.507
35 HZ1 LYS -2 HZ1 LYS -2 -14.704 9.339 8.300
36 HZ2 LYS -2 HZ2 LYS -2 -13.304 8.681 9.004
37 HZ3 LYS -2 HZ3 LYS -2 -13.360 8.975 7.331
38 H ALA -1 H ALA -1 -9.528 13.053 4.374
39 HA ALA -1 HA ALA -1 -7.007 12.134 3.085
40 HB1 ALA -1 HB1 ALA -1 -8.414 14.338 1.716
41 HB2 ALA -1 HB2 ALA -1 -9.204 12.766 1.599
42 HB3 ALA -1 HB3 ALA -1 -7.544 12.963 1.037
43 H GLY 1 H GLY 1 -5.965 14.474 2.246
44 HA2 GLY 1 HA2 GLY 1 -6.331 16.659 4.115
45 HA3 GLY 1 HA3 GLY 1 -4.892 15.710 4.498
46 H SER 2 H SER 2 -3.468 15.262 2.472
47 HA SER 2 HA SER 2 -3.578 17.425 0.475
48 HB2 SER 2 HB2 SER 2 -2.225 18.215 2.493
49 HB3 SER 2 HB3 SER 2 -1.063 16.962 2.074
50 HG SER 2 HG SER 2 -1.463 19.390 0.960
51 H ALA 3 H ALA 3 -3.447 16.260 -1.380
52 HA ALA 3 HA ALA 3 -2.297 13.631 -1.521
53 HB1 ALA 3 HB1 ALA 3 -2.986 13.625 -3.738
54 HB2 ALA 3 HB2 ALA 3 -2.612 15.335 -3.963
55 HB3 ALA 3 HB3 ALA 3 -4.053 14.858 -3.065
56 H LYS 4 H LYS 4 -1.044 16.853 -2.267
57 HA LYS 4 HA LYS 4 1.296 16.040 -3.664
58 HB2 LYS 4 HB2 LYS 4 2.032 18.288 -2.143
59 HB3 LYS 4 HB3 LYS 4 1.428 18.285 -3.797
60 HG2 LYS 4 HG2 LYS 4 -0.419 18.253 -1.405
61 HG3 LYS 4 HG3 LYS 4 0.152 19.748 -2.135
62 HD2 LYS 4 HD2 LYS 4 -1.082 19.465 -4.049
63 HD3 LYS 4 HD3 LYS 4 -0.983 17.707 -3.988
64 HE2 LYS 4 HE2 LYS 4 -3.268 18.328 -3.509
65 HE3 LYS 4 HE3 LYS 4 -2.547 17.773 -2.001
66 HZ1 LYS 4 HZ1 LYS 4 -2.312 20.613 -2.621
67 HZ2 LYS 4 HZ2 LYS 4 -2.545 19.841 -1.125
68 HZ3 LYS 4 HZ3 LYS 4 -3.853 20.050 -2.190
69 H LYS 5 H LYS 5 0.883 16.742 -0.170
70 HA LYS 5 HA LYS 5 3.531 16.014 0.574
71 HB2 LYS 5 HB2 LYS 5 0.959 15.883 2.156
72 HB3 LYS 5 HB3 LYS 5 2.570 15.749 2.852
73 HG2 LYS 5 HG2 LYS 5 3.120 17.994 1.901
74 HG3 LYS 5 HG3 LYS 5 1.448 18.131 1.355
75 HD2 LYS 5 HD2 LYS 5 0.694 17.832 3.717
76 HD3 LYS 5 HD3 LYS 5 2.383 17.836 4.224
77 HE2 LYS 5 HE2 LYS 5 2.253 20.097 2.662
78 HE3 LYS 5 HE3 LYS 5 0.662 20.085 3.422
79 HZ1 LYS 5 HZ1 LYS 5 3.318 20.230 4.680
80 HZ2 LYS 5 HZ2 LYS 5 2.010 19.581 5.549
81 HZ3 LYS 5 HZ3 LYS 5 1.941 21.177 4.970
82 H GLY 6 H GLY 6 0.543 14.111 0.376
83 HA2 GLY 6 HA2 GLY 6 1.646 11.679 1.403
84 HA3 GLY 6 HA3 GLY 6 0.210 11.790 0.388
85 H ALA 7 H ALA 7 1.554 13.074 -1.840
86 HA ALA 7 HA ALA 7 2.396 10.767 -3.280
87 HB1 ALA 7 HB1 ALA 7 1.578 13.060 -4.170
88 HB2 ALA 7 HB2 ALA 7 2.842 12.229 -5.079
89 HB3 ALA 7 HB3 ALA 7 3.261 13.563 -4.004
90 H THR 8 H THR 8 4.264 13.294 -1.621
91 HA THR 8 HA THR 8 6.823 12.239 -2.465
92 HB THR 8 HB THR 8 7.766 13.817 -0.899
93 HG1 THR 8 HG1 THR 8 5.751 14.956 0.238
94 HG21 THR 8 HG21 THR 8 5.381 15.381 -1.690
95 HG22 THR 8 HG22 THR 8 6.195 14.516 -2.994
96 HG23 THR 8 HG23 THR 8 7.087 15.685 -2.019
97 H LEU 9 H LEU 9 4.701 11.703 0.307
98 HA LEU 9 HA LEU 9 6.526 10.391 2.025
99 HB2 LEU 9 HB2 LEU 9 4.167 11.009 2.608
100 HB3 LEU 9 HB3 LEU 9 3.610 9.679 1.592
101 HG LEU 9 HG LEU 9 4.941 8.098 2.981
102 HD11 LEU 9 HD11 LEU 9 5.709 10.685 4.259
103 HD12 LEU 9 HD12 LEU 9 6.675 9.234 3.992
104 HD13 LEU 9 HD13 LEU 9 5.510 9.285 5.315
105 HD21 LEU 9 HD21 LEU 9 2.488 9.100 3.494
106 HD22 LEU 9 HD22 LEU 9 3.309 9.594 4.974
107 HD23 LEU 9 HD23 LEU 9 3.248 7.890 4.526
108 H PHE 10 H PHE 10 4.537 9.094 -0.616
109 HA PHE 10 HA PHE 10 5.349 6.367 -0.357
110 HB2 PHE 10 HB2 PHE 10 3.449 6.938 -1.753
111 HB3 PHE 10 HB3 PHE 10 4.454 7.975 -2.770
112 HD1 PHE 10 HD2 PHE 10 6.361 6.917 -4.085
113 HD2 PHE 10 HD1 PHE 10 3.272 4.604 -2.194
114 HE1 PHE 10 HE2 PHE 10 6.934 4.984 -5.517
115 HE2 PHE 10 HE1 PHE 10 3.843 2.668 -3.638
116 HZ PHE 10 HZ PHE 10 5.676 2.858 -5.305
117 H LYS 11 H LYS 11 6.646 9.058 -2.281
118 HA LYS 11 HA LYS 11 8.696 7.585 -3.571
119 HB2 LYS 11 HB2 LYS 11 8.590 10.517 -2.824
120 HB3 LYS 11 HB3 LYS 11 9.739 9.806 -3.953
121 HG2 LYS 11 HG2 LYS 11 7.805 8.990 -5.324
122 HG3 LYS 11 HG3 LYS 11 6.728 9.875 -4.243
123 HD2 LYS 11 HD2 LYS 11 7.975 11.971 -4.782
124 HD3 LYS 11 HD3 LYS 11 8.930 11.062 -5.954
125 HE2 LYS 11 HE2 LYS 11 7.256 11.883 -7.333
126 HE3 LYS 11 HE3 LYS 11 6.543 10.344 -6.851
127 HZ1 LYS 11 HZ1 LYS 11 5.754 13.036 -6.170
128 HZ2 LYS 11 HZ2 LYS 11 5.780 11.963 -4.853
129 HZ3 LYS 11 HZ3 LYS 11 4.831 11.614 -6.218
130 H THR 12 H THR 12 8.627 9.199 -0.426
131 HA THR 12 HA THR 12 11.489 8.630 -0.023
132 HB THR 12 HB THR 12 11.209 9.900 2.050
133 HG1 THR 12 HG1 THR 12 9.307 10.209 2.874
134 HG21 THR 12 HG21 THR 12 11.617 11.506 0.488
135 HG22 THR 12 HG22 THR 12 9.937 11.945 0.794
136 HG23 THR 12 HG23 THR 12 10.345 10.924 -0.585
137 H ARG 13 H ARG 13 8.849 6.690 0.220
138 HA ARG 13 HA ARG 13 10.121 5.202 2.466
139 HB2 ARG 13 HB2 ARG 13 7.186 5.894 2.258
140 HB3 ARG 13 HB3 ARG 13 7.834 4.688 3.369
141 HG2 ARG 13 HG2 ARG 13 9.356 6.456 4.302
142 HG3 ARG 13 HG3 ARG 13 8.523 7.639 3.292
143 HD2 ARG 13 HD2 ARG 13 6.371 6.993 4.385
144 HD3 ARG 13 HD3 ARG 13 7.274 5.923 5.455
145 HE ARG 13 HE ARG 13 7.192 8.848 5.618
146 HH11 ARG 13 HH21 ARG 13 8.828 5.909 6.365
147 HH12 ARG 13 HH22 ARG 13 9.666 6.567 7.730
148 HH21 ARG 13 HH11 ARG 13 8.276 9.726 7.395
149 HH22 ARG 13 HH12 ARG 13 9.354 8.729 8.313
150 H CYS 14 H CYS 14 7.206 4.757 0.402
151 HA CYS 14 HA CYS 14 7.629 1.923 0.237
152 HB2 CYS 14 HB2 CYS 14 6.138 3.346 -1.915
153 HB3 CYS 14 HB3 CYS 14 5.738 1.845 -1.089
154 H LEU 15 H LEU 15 8.771 4.583 -1.760
155 HA LEU 15 HA LEU 15 9.504 3.145 -4.078
156 HB2 LEU 15 HB2 LEU 15 9.648 5.602 -3.872
157 HB3 LEU 15 HB3 LEU 15 11.026 5.424 -2.788
158 HG LEU 15 HG LEU 15 12.217 4.177 -4.621
159 HD11 LEU 15 HD11 LEU 15 11.134 4.783 -6.952
160 HD12 LEU 15 HD12 LEU 15 9.641 4.832 -6.016
161 HD13 LEU 15 HD13 LEU 15 10.596 3.352 -6.075
162 HD21 LEU 15 HD21 LEU 15 12.572 6.603 -4.226
163 HD22 LEU 15 HD22 LEU 15 11.262 6.964 -5.350
164 HD23 LEU 15 HD23 LEU 15 12.735 6.188 -5.933
165 H GLN 16 H GLN 16 11.152 3.401 -0.960
166 HA GLN 16 HA GLN 16 13.655 2.315 -1.686
167 HB2 GLN 16 HB2 GLN 16 12.093 1.986 0.891
168 HB3 GLN 16 HB3 GLN 16 13.796 1.574 0.696
169 HG2 GLN 16 HG2 GLN 16 14.310 3.898 0.093
170 HG3 GLN 16 HG3 GLN 16 12.604 4.324 0.230
171 HE21 GLN 16 HE21 GLN 16 14.543 5.618 1.871
172 HE22 GLN 16 HE22 GLN 16 14.306 5.132 3.480
173 H CYS 17 H CYS 17 10.608 0.633 -0.920
174 HA CYS 17 HA CYS 17 11.971 -1.933 -1.631
175 HB2 CYS 17 HB2 CYS 17 9.473 -1.457 0.004
176 HB3 CYS 17 HB3 CYS 17 10.147 -3.040 -0.373
177 H HIS 18 H HIS 18 8.895 -0.174 -2.047
178 HA HIS 18 HA HIS 18 8.190 -2.005 -4.269
179 HB2 HIS 18 HB2 HIS 18 6.667 0.339 -3.099
180 HB3 HIS 18 HB3 HIS 18 6.053 -0.773 -4.317
181 HD1 HIS 18 HD1 HIS 18 5.959 -3.392 -3.496
182 HD2 HIS 18 HD2 HIS 18 6.249 -0.494 -0.513
183 HE1 HIS 18 HE1 HIS 18 5.150 -4.483 -1.346
184 H THR 19 H THR 19 7.739 -1.199 -6.389
185 HA THR 19 HA THR 19 8.996 1.451 -6.995
186 HB THR 19 HB THR 19 8.800 -0.810 -8.958
187 HG1 THR 19 HG1 THR 19 10.512 -1.712 -8.119
188 HG21 THR 19 HG21 THR 19 11.071 1.036 -9.029
189 HG22 THR 19 HG22 THR 19 9.512 1.843 -9.191
190 HG23 THR 19 HG23 THR 19 9.965 0.565 -10.320
191 H VAL 20 H VAL 20 7.764 2.825 -8.266
192 HA VAL 20 HA VAL 20 4.939 2.358 -8.460
193 HB VAL 20 HB VAL 20 6.581 4.335 -10.058
194 HG11 VAL 20 HG11 VAL 20 4.575 5.610 -10.177
195 HG12 VAL 20 HG12 VAL 20 3.787 4.619 -8.949
196 HG13 VAL 20 HG13 VAL 20 4.100 3.954 -10.552
197 HG21 VAL 20 HG21 VAL 20 7.201 4.445 -7.695
198 HG22 VAL 20 HG22 VAL 20 5.499 4.534 -7.235
199 HG23 VAL 20 HG23 VAL 20 6.241 5.859 -8.134
200 H GLU 21 H GLU 21 7.569 2.189 -10.865
201 HA GLU 21 HA GLU 21 5.972 1.678 -13.146
202 HB2 GLU 21 HB2 GLU 21 8.732 0.612 -12.470
203 HB3 GLU 21 HB3 GLU 21 7.999 0.572 -14.075
204 HG2 GLU 21 HG2 GLU 21 7.801 3.045 -14.029
205 HG3 GLU 21 HG3 GLU 21 8.592 3.064 -12.454
206 H LYS 22 H LYS 22 5.111 -0.225 -14.011
207 HA LYS 22 HA LYS 22 4.642 -2.382 -12.072
208 HB2 LYS 22 HB2 LYS 22 3.714 -2.003 -14.936
209 HB3 LYS 22 HB3 LYS 22 3.201 -3.323 -13.883
210 HG2 LYS 22 HG2 LYS 22 2.352 -1.631 -12.249
211 HG3 LYS 22 HG3 LYS 22 2.757 -0.362 -13.407
212 HD2 LYS 22 HD2 LYS 22 1.266 -1.464 -15.078
213 HD3 LYS 22 HD3 LYS 22 0.799 -2.634 -13.844
214 HE2 LYS 22 HE2 LYS 22 -0.894 -0.948 -13.812
215 HE3 LYS 22 HE3 LYS 22 0.119 -0.642 -12.401
216 HZ1 LYS 22 HZ1 LYS 22 -0.408 1.359 -13.757
217 HZ2 LYS 22 HZ2 LYS 22 0.511 0.691 -15.021
218 HZ3 LYS 22 HZ3 LYS 22 1.251 1.082 -13.542
219 H GLY 23 H GLY 23 5.568 -4.410 -12.160
220 HA2 GLY 23 HA2 GLY 23 6.853 -6.201 -13.045
221 HA3 GLY 23 HA3 GLY 23 7.050 -5.283 -14.538
222 H GLY 24 H GLY 24 7.753 -3.779 -11.472
223 HA2 GLY 24 HA2 GLY 24 10.404 -3.055 -12.266
224 HA3 GLY 24 HA3 GLY 24 9.772 -2.926 -10.625
225 HA PRO 25 HA PRO 25 12.975 -6.469 -11.304
226 HB2 PRO 25 HB2 PRO 25 14.922 -5.284 -9.700
227 HB3 PRO 25 HB3 PRO 25 14.898 -5.262 -11.472
228 HG2 PRO 25 HG2 PRO 25 14.072 -3.168 -9.541
229 HG3 PRO 25 HG3 PRO 25 14.832 -3.007 -11.132
230 HD2 PRO 25 HD2 PRO 25 12.188 -2.513 -10.736
231 HD3 PRO 25 HD3 PRO 25 12.815 -3.167 -12.267
232 H HIS 26 H HIS 26 11.570 -4.721 -8.651
233 HA HIS 26 HA HIS 26 11.010 -5.402 -6.472
234 HB2 HIS 26 HB2 HIS 26 11.599 -8.211 -7.450
235 HB3 HIS 26 HB3 HIS 26 10.530 -7.737 -6.142
236 HD1 HIS 26 HD1 HIS 26 8.441 -6.117 -6.971
237 HD2 HIS 26 HD2 HIS 26 10.298 -8.519 -9.814
238 HE1 HIS 26 HE1 HIS 26 6.828 -6.290 -8.925
239 HE2 HIS 26 HE2 HIS 26 7.962 -7.743 -10.671
240 H LYS 27 H LYS 27 13.616 -4.509 -6.714
241 HA LYS 27 HA LYS 27 15.693 -6.280 -6.018
242 HB2 LYS 27 HB2 LYS 27 16.012 -3.879 -6.595
243 HB3 LYS 27 HB3 LYS 27 15.338 -3.435 -5.026
244 HG2 LYS 27 HG2 LYS 27 17.129 -4.736 -3.907
245 HG3 LYS 27 HG3 LYS 27 17.823 -5.112 -5.485
246 HD2 LYS 27 HD2 LYS 27 18.039 -2.648 -5.912
247 HD3 LYS 27 HD3 LYS 27 17.508 -2.361 -4.255
248 HE2 LYS 27 HE2 LYS 27 20.012 -2.372 -4.535
249 HE3 LYS 27 HE3 LYS 27 19.417 -3.550 -3.365
250 HZ1 LYS 27 HZ1 LYS 27 21.093 -4.400 -4.998
251 HZ2 LYS 27 HZ2 LYS 27 19.918 -4.212 -6.211
252 HZ3 LYS 27 HZ3 LYS 27 19.649 -5.287 -4.922
253 H VAL 28 H VAL 28 13.476 -4.516 -3.830
254 HA VAL 28 HA VAL 28 14.530 -6.148 -1.577
255 HB VAL 28 HB VAL 28 12.430 -4.106 -1.100
256 HG11 VAL 28 HG11 VAL 28 15.129 -4.529 0.201
257 HG12 VAL 28 HG12 VAL 28 13.697 -5.458 0.645
258 HG13 VAL 28 HG13 VAL 28 13.722 -3.711 0.879
259 HG21 VAL 28 HG21 VAL 28 15.227 -3.451 -2.064
260 HG22 VAL 28 HG22 VAL 28 14.211 -2.304 -1.190
261 HG23 VAL 28 HG23 VAL 28 13.702 -2.911 -2.766
262 H GLY 29 H GLY 29 11.260 -4.924 -2.310
263 HA2 GLY 29 HA2 GLY 29 10.237 -7.713 -1.942
264 HA3 GLY 29 HA3 GLY 29 9.429 -6.326 -1.210
265 HA PRO 30 HA PRO 30 7.817 -7.504 -5.597
266 HB2 PRO 30 HB2 PRO 30 5.240 -7.132 -4.247
267 HB3 PRO 30 HB3 PRO 30 5.803 -8.497 -5.221
268 HG2 PRO 30 HG2 PRO 30 5.574 -8.366 -2.414
269 HG3 PRO 30 HG3 PRO 30 6.271 -9.668 -3.381
270 HD2 PRO 30 HD2 PRO 30 7.656 -7.896 -1.626
271 HD3 PRO 30 HD3 PRO 30 8.368 -9.112 -2.708
272 H ASN 31 H ASN 31 6.925 -5.891 -6.978
273 HA ASN 31 HA ASN 31 6.956 -3.191 -5.778
274 HB2 ASN 31 HB2 ASN 31 6.829 -4.022 -8.689
275 HB3 ASN 31 HB3 ASN 31 7.120 -2.393 -8.076
276 HD21 ASN 31 HD21 ASN 31 8.770 -3.385 -5.787
277 HD22 ASN 31 HD22 ASN 31 10.262 -3.832 -6.468
278 H LEU 32 H LEU 32 5.168 -2.047 -5.440
279 HA LEU 32 HA LEU 32 2.552 -3.238 -5.831
280 HB2 LEU 32 HB2 LEU 32 3.565 -1.519 -4.026
281 HB3 LEU 32 HB3 LEU 32 2.842 -0.358 -5.139
282 HG LEU 32 HG LEU 32 0.697 -1.655 -4.991
283 HD11 LEU 32 HD11 LEU 32 2.448 -3.463 -3.570
284 HD12 LEU 32 HD12 LEU 32 0.781 -3.722 -4.080
285 HD13 LEU 32 HD13 LEU 32 1.120 -2.976 -2.519
286 HD21 LEU 32 HD21 LEU 32 0.143 -0.164 -3.387
287 HD22 LEU 32 HD22 LEU 32 1.861 0.153 -3.157
288 HD23 LEU 32 HD23 LEU 32 1.054 -1.069 -2.180
289 H HIS 33 H HIS 33 1.319 -0.553 -6.314
290 HA HIS 33 HA HIS 33 0.801 0.916 -8.088
291 HB2 HIS 33 HB2 HIS 33 3.315 0.359 -8.763
292 HB3 HIS 33 HB3 HIS 33 2.513 -0.564 -10.037
293 HD1 HIS 33 HD1 HIS 33 2.046 0.778 -12.077
294 HD2 HIS 33 HD2 HIS 33 2.045 3.164 -8.656
295 HE1 HIS 33 HE1 HIS 33 1.609 3.150 -12.856
296 HE2 HIS 33 HE2 HIS 33 1.608 4.610 -10.782
297 H GLY 34 H GLY 34 -1.308 0.289 -8.431
298 HA2 GLY 34 HA2 GLY 34 -2.894 -0.482 -10.082
299 HA3 GLY 34 HA3 GLY 34 -1.728 -1.692 -10.598
300 H ILE 35 H ILE 35 -2.005 -1.632 -7.177
301 HA ILE 35 HA ILE 35 -3.434 -4.193 -7.334
302 HB ILE 35 HB ILE 35 -2.989 -4.394 -4.933
303 HG12 ILE 35 HG12 ILE 35 -1.586 -1.719 -5.127
304 HG13 ILE 35 HG13 ILE 35 -3.227 -1.883 -4.508
305 HG21 ILE 35 HG21 ILE 35 -1.215 -4.631 -6.923
306 HG22 ILE 35 HG22 ILE 35 -0.780 -4.912 -5.239
307 HG23 ILE 35 HG23 ILE 35 -0.410 -3.365 -5.999
308 HD11 ILE 35 HD11 ILE 35 -2.516 -2.729 -2.540
309 HD12 ILE 35 HD12 ILE 35 -0.926 -2.139 -3.010
310 HD13 ILE 35 HD13 ILE 35 -1.371 -3.813 -3.329
311 H PHE 36 H PHE 36 -4.275 -0.918 -6.748
312 HA PHE 36 HA PHE 36 -6.391 -1.162 -4.904
313 HB2 PHE 36 HB2 PHE 36 -5.937 0.674 -7.245
314 HB3 PHE 36 HB3 PHE 36 -7.420 0.776 -6.298
315 HD1 PHE 36 HD2 PHE 36 -3.692 0.691 -5.898
316 HD2 PHE 36 HD1 PHE 36 -7.453 2.028 -4.308
317 HE1 PHE 36 HE2 PHE 36 -2.499 2.006 -4.167
318 HE2 PHE 36 HE1 PHE 36 -6.260 3.351 -2.588
319 HZ PHE 36 HZ PHE 36 -3.785 3.333 -2.511
320 H GLY 37 H GLY 37 -6.274 -2.092 -8.291
321 HA2 GLY 37 HA2 GLY 37 -9.168 -2.825 -8.158
322 HA3 GLY 37 HA3 GLY 37 -8.273 -2.563 -9.653
323 H ARG 38 H ARG 38 -6.757 -4.381 -7.091
324 HA ARG 38 HA ARG 38 -7.406 -6.920 -8.526
325 HB2 ARG 38 HB2 ARG 38 -4.671 -6.054 -7.556
326 HB3 ARG 38 HB3 ARG 38 -5.056 -7.641 -8.210
327 HG2 ARG 38 HG2 ARG 38 -5.625 -5.130 -9.780
328 HG3 ARG 38 HG3 ARG 38 -4.040 -5.901 -9.831
329 HD2 ARG 38 HD2 ARG 38 -5.227 -8.062 -10.442
330 HD3 ARG 38 HD3 ARG 38 -6.698 -7.109 -10.642
331 HE ARG 38 HE ARG 38 -4.371 -7.082 -12.435
332 HH11 ARG 38 HH21 ARG 38 -7.246 -5.559 -11.293
333 HH12 ARG 38 HH22 ARG 38 -7.481 -4.622 -12.733
334 HH21 ARG 38 HH11 ARG 38 -4.660 -5.868 -14.320
335 HH22 ARG 38 HH12 ARG 38 -6.016 -4.798 -14.445
336 H HIS 39 H HIS 39 -6.570 -8.837 -7.119
337 HA HIS 39 HA HIS 39 -7.708 -8.431 -4.428
338 HB2 HIS 39 HB2 HIS 39 -6.988 -10.831 -6.085
339 HB3 HIS 39 HB3 HIS 39 -7.243 -10.995 -4.349
340 HD1 HIS 39 HD1 HIS 39 -9.079 -9.059 -7.081
341 HD2 HIS 39 HD2 HIS 39 -9.894 -11.701 -3.963
342 HE1 HIS 39 HE1 HIS 39 -11.587 -9.391 -7.067
343 HE2 HIS 39 HE2 HIS 39 -12.098 -10.994 -5.167
344 H SER 40 H SER 40 -6.569 -9.376 -2.547
345 HA SER 40 HA SER 40 -3.930 -8.337 -2.291
346 HB2 SER 40 HB2 SER 40 -5.836 -9.304 -0.552
347 HB3 SER 40 HB3 SER 40 -4.583 -10.533 -0.460
348 HG SER 40 HG SER 40 -3.341 -9.159 0.531
349 H GLY 41 H GLY 41 -2.036 -9.168 -2.922
350 HA2 GLY 41 HA2 GLY 41 -0.416 -10.923 -3.055
351 HA3 GLY 41 HA3 GLY 41 -1.718 -12.104 -3.026
352 H GLN 42 H GLN 42 -2.389 -9.583 -5.232
353 HA GLN 42 HA GLN 42 -1.559 -11.410 -7.448
354 HB2 GLN 42 HB2 GLN 42 -3.599 -9.177 -7.368
355 HB3 GLN 42 HB3 GLN 42 -3.146 -10.048 -8.834
356 HG2 GLN 42 HG2 GLN 42 -3.753 -12.189 -7.671
357 HG3 GLN 42 HG3 GLN 42 -4.371 -11.227 -6.329
358 HE21 GLN 42 HE21 GLN 42 -4.966 -9.317 -8.946
359 HE22 GLN 42 HE22 GLN 42 -6.526 -9.848 -9.353
360 H ALA 43 H ALA 43 0.264 -10.870 -8.484
361 HA ALA 43 HA ALA 43 0.772 -8.040 -9.155
362 HB1 ALA 43 HB1 ALA 43 3.306 -8.860 -8.442
363 HB2 ALA 43 HB2 ALA 43 2.313 -9.573 -7.171
364 HB3 ALA 43 HB3 ALA 43 2.268 -7.831 -7.457
365 H GLU 44 H GLU 44 1.712 -7.880 -11.157
366 HA GLU 44 HA GLU 44 2.126 -10.358 -12.670
367 HB2 GLU 44 HB2 GLU 44 2.391 -7.439 -13.459
368 HB3 GLU 44 HB3 GLU 44 2.547 -8.796 -14.574
369 HG2 GLU 44 HG2 GLU 44 0.244 -9.521 -13.977
370 HG3 GLU 44 HG3 GLU 44 0.090 -8.104 -12.938
371 H GLY 45 H GLY 45 4.037 -7.665 -11.414
372 HA2 GLY 45 HA2 GLY 45 6.523 -8.416 -12.618
373 HA3 GLY 45 HA3 GLY 45 6.351 -7.409 -11.177
374 H TYR 46 H TYR 46 5.332 -8.980 -9.269
375 HA TYR 46 HA TYR 46 6.772 -11.552 -9.318
376 HB2 TYR 46 HB2 TYR 46 8.486 -10.256 -8.341
377 HB3 TYR 46 HB3 TYR 46 7.340 -9.306 -7.395
378 HD1 TYR 46 HD2 TYR 46 7.724 -13.015 -7.881
379 HD2 TYR 46 HD1 TYR 46 7.721 -9.719 -5.125
380 HE1 TYR 46 HE2 TYR 46 7.947 -14.595 -5.985
381 HE2 TYR 46 HE1 TYR 46 7.942 -11.299 -3.233
382 HH TYR 46 HH TYR 46 8.651 -13.525 -2.772
383 H SER 47 H SER 47 5.779 -13.140 -8.143
384 HA SER 47 HA SER 47 3.102 -12.620 -7.166
385 HB2 SER 47 HB2 SER 47 4.867 -15.064 -6.814
386 HB3 SER 47 HB3 SER 47 3.136 -14.996 -6.493
387 HG SER 47 HG SER 47 4.528 -15.056 -8.898
388 H TYR 48 H TYR 48 2.459 -12.273 -5.072
389 HA TYR 48 HA TYR 48 4.375 -11.361 -3.144
390 HB2 TYR 48 HB2 TYR 48 1.461 -12.101 -2.932
391 HB3 TYR 48 HB3 TYR 48 2.372 -11.416 -1.594
392 HD1 TYR 48 HD1 TYR 48 1.117 -10.783 -5.020
393 HD2 TYR 48 HD2 TYR 48 3.015 -9.101 -1.566
394 HE1 TYR 48 HE1 TYR 48 0.745 -8.505 -5.924
395 HE2 TYR 48 HE2 TYR 48 2.665 -6.823 -2.475
396 HH TYR 48 HH TYR 48 0.962 -5.755 -4.129
397 H THR 49 H THR 49 3.812 -12.388 -0.729
398 HA THR 49 HA THR 49 5.215 -14.912 -0.717
399 HB THR 49 HB THR 49 3.665 -13.616 1.544
400 HG1 THR 49 HG1 THR 49 5.679 -12.674 2.032
401 HG21 THR 49 HG21 THR 49 4.380 -16.003 1.836
402 HG22 THR 49 HG22 THR 49 5.135 -14.895 2.981
403 HG23 THR 49 HG23 THR 49 6.048 -15.484 1.592
404 H ASP 50 H ASP 50 4.395 -16.989 -0.281
405 HA ASP 50 HA ASP 50 1.902 -17.715 -1.319
406 HB2 ASP 50 HB2 ASP 50 3.588 -19.073 0.798
407 HB3 ASP 50 HB3 ASP 50 2.196 -19.826 0.024
408 H ALA 51 H ALA 51 2.714 -16.813 2.029
409 HA ALA 51 HA ALA 51 0.209 -17.541 3.190
410 HB1 ALA 51 HB1 ALA 51 1.373 -16.883 5.003
411 HB2 ALA 51 HB2 ALA 51 1.122 -15.210 4.506
412 HB3 ALA 51 HB3 ALA 51 2.566 -16.077 3.983
413 H ASN 52 H ASN 52 1.315 -14.310 2.127
414 HA ASN 52 HA ASN 52 -1.195 -13.016 2.385
415 HB2 ASN 52 HB2 ASN 52 0.903 -11.781 2.024
416 HB3 ASN 52 HB3 ASN 52 1.037 -12.467 0.405
417 HD21 ASN 52 HD21 ASN 52 0.986 -9.824 0.205
418 HD22 ASN 52 HD22 ASN 52 -0.555 -9.224 -0.191
419 H ILE 53 H ILE 53 0.240 -14.746 -0.364
420 HA ILE 53 HA ILE 53 -1.902 -14.233 -2.191
421 HB ILE 53 HB ILE 53 0.057 -16.529 -2.082
422 HG12 ILE 53 HG12 ILE 53 0.064 -13.987 -3.735
423 HG13 ILE 53 HG13 ILE 53 1.007 -14.212 -2.264
424 HG21 ILE 53 HG21 ILE 53 -1.784 -15.563 -4.289
425 HG22 ILE 53 HG22 ILE 53 -1.874 -17.114 -3.455
426 HG23 ILE 53 HG23 ILE 53 -0.503 -16.756 -4.506
427 HD11 ILE 53 HD11 ILE 53 1.202 -16.041 -4.671
428 HD12 ILE 53 HD12 ILE 53 2.252 -16.031 -3.253
429 HD13 ILE 53 HD13 ILE 53 2.288 -14.681 -4.387
430 H LYS 54 H LYS 54 -1.430 -16.668 0.314
431 HA LYS 54 HA LYS 54 -3.433 -18.510 -0.442
432 HB2 LYS 54 HB2 LYS 54 -1.897 -18.849 1.478
433 HB3 LYS 54 HB3 LYS 54 -2.758 -17.590 2.360
434 HG2 LYS 54 HG2 LYS 54 -4.849 -18.900 2.175
435 HG3 LYS 54 HG3 LYS 54 -3.960 -20.177 1.344
436 HD2 LYS 54 HD2 LYS 54 -2.459 -20.355 3.349
437 HD3 LYS 54 HD3 LYS 54 -3.508 -19.205 4.179
438 HE2 LYS 54 HE2 LYS 54 -5.339 -20.697 4.187
439 HE3 LYS 54 HE3 LYS 54 -4.629 -21.710 2.930
440 HZ1 LYS 54 HZ1 LYS 54 -2.748 -21.934 4.735
441 HZ2 LYS 54 HZ2 LYS 54 -4.117 -22.941 4.749
442 HZ3 LYS 54 HZ3 LYS 54 -4.034 -21.600 5.789
443 H LYS 55 H LYS 55 -3.684 -15.480 1.384
444 HA LYS 55 HA LYS 55 -6.658 -15.657 1.162
445 HB2 LYS 55 HB2 LYS 55 -5.567 -15.259 3.437
446 HB3 LYS 55 HB3 LYS 55 -5.046 -13.695 2.813
447 HG2 LYS 55 HG2 LYS 55 -7.406 -13.118 2.318
448 HG3 LYS 55 HG3 LYS 55 -7.913 -14.660 3.007
449 HD2 LYS 55 HD2 LYS 55 -6.804 -13.995 5.160
450 HD3 LYS 55 HD3 LYS 55 -6.495 -12.407 4.457
451 HE2 LYS 55 HE2 LYS 55 -9.258 -13.111 4.045
452 HE3 LYS 55 HE3 LYS 55 -8.856 -13.285 5.753
453 HZ1 LYS 55 HZ1 LYS 55 -9.255 -10.926 4.287
454 HZ2 LYS 55 HZ2 LYS 55 -7.643 -10.952 4.824
455 HZ3 LYS 55 HZ3 LYS 55 -8.917 -11.095 5.940
456 H ASN 56 H ASN 56 -7.477 -14.518 -0.543
457 HA ASN 56 HA ASN 56 -6.018 -12.044 -1.393
458 HB2 ASN 56 HB2 ASN 56 -7.646 -13.075 -3.506
459 HB3 ASN 56 HB3 ASN 56 -5.897 -12.870 -3.476
460 HD21 ASN 56 HD21 ASN 56 -5.089 -14.857 -4.220
461 HD22 ASN 56 HD22 ASN 56 -5.526 -16.368 -3.583
462 H VAL 57 H VAL 57 -7.215 -10.246 -1.165
463 HA VAL 57 HA VAL 57 -10.185 -10.490 -1.254
464 HB VAL 57 HB VAL 57 -8.573 -8.625 0.498
465 HG11 VAL 57 HG11 VAL 57 -10.533 -7.516 0.638
466 HG12 VAL 57 HG12 VAL 57 -11.197 -8.934 1.449
467 HG13 VAL 57 HG13 VAL 57 -11.363 -8.759 -0.297
468 HG21 VAL 57 HG21 VAL 57 -8.252 -10.745 1.472
469 HG22 VAL 57 HG22 VAL 57 -9.854 -11.308 0.997
470 HG23 VAL 57 HG23 VAL 57 -9.682 -10.142 2.309
471 H LEU 58 H LEU 58 -11.217 -8.982 -2.550
472 HA LEU 58 HA LEU 58 -9.773 -7.537 -4.505
473 HB2 LEU 58 HB2 LEU 58 -12.177 -8.006 -4.730
474 HB3 LEU 58 HB3 LEU 58 -12.520 -6.917 -3.385
475 HG LEU 58 HG LEU 58 -11.511 -5.040 -4.666
476 HD11 LEU 58 HD11 LEU 58 -9.997 -5.790 -6.214
477 HD12 LEU 58 HD12 LEU 58 -11.411 -5.804 -7.268
478 HD13 LEU 58 HD13 LEU 58 -10.874 -7.294 -6.494
479 HD21 LEU 58 HD21 LEU 58 -13.816 -5.042 -4.965
480 HD22 LEU 58 HD22 LEU 58 -13.821 -6.637 -5.720
481 HD23 LEU 58 HD23 LEU 58 -13.281 -5.228 -6.635
482 H TRP 59 H TRP 59 -9.113 -5.354 -4.608
483 HA TRP 59 HA TRP 59 -8.794 -4.113 -1.944
484 HB2 TRP 59 HB2 TRP 59 -7.313 -3.919 -4.536
485 HB3 TRP 59 HB3 TRP 59 -7.175 -2.619 -3.355
486 HD1 TRP 59 HD1 TRP 59 -5.452 -5.618 -4.271
487 HE1 TRP 59 HE1 TRP 59 -4.128 -6.612 -2.300
488 HE3 TRP 59 HE3 TRP 59 -7.603 -3.092 -0.383
489 HZ2 TRP 59 HZ2 TRP 59 -4.011 -6.388 0.541
490 HZ3 TRP 59 HZ3 TRP 59 -6.869 -3.510 1.942
491 HH2 TRP 59 HH2 TRP 59 -5.076 -5.164 2.407
492 H ASP 60 H ASP 60 -9.464 -2.061 -1.491
493 HA ASP 60 HA ASP 60 -10.796 -0.459 -3.596
494 HB2 ASP 60 HB2 ASP 60 -12.528 -1.918 -2.440
495 HB3 ASP 60 HB3 ASP 60 -12.135 -1.072 -0.943
496 H GLU 61 H GLU 61 -10.970 1.824 -2.896
497 HA GLU 61 HA GLU 61 -8.695 2.752 -1.502
498 HB2 GLU 61 HB2 GLU 61 -11.383 4.115 -1.860
499 HB3 GLU 61 HB3 GLU 61 -9.901 4.923 -1.351
500 HG2 GLU 61 HG2 GLU 61 -9.916 5.303 -3.665
501 HG3 GLU 61 HG3 GLU 61 -8.872 3.891 -3.510
502 H ASN 62 H ASN 62 -11.960 2.038 -0.317
503 HA ASN 62 HA ASN 62 -11.425 2.983 2.374
504 HB2 ASN 62 HB2 ASN 62 -13.540 1.063 1.350
505 HB3 ASN 62 HB3 ASN 62 -13.530 1.815 2.946
506 HD21 ASN 62 HD21 ASN 62 -12.722 4.448 2.275
507 HD22 ASN 62 HD22 ASN 62 -13.920 5.162 1.297
508 H ASN 63 H ASN 63 -11.411 -0.230 0.814
509 HA ASN 63 HA ASN 63 -10.805 -1.705 3.189
510 HB2 ASN 63 HB2 ASN 63 -10.213 -2.315 0.282
511 HB3 ASN 63 HB3 ASN 63 -10.061 -3.474 1.599
512 HD21 ASN 63 HD21 ASN 63 -11.892 -3.941 -0.532
513 HD22 ASN 63 HD22 ASN 63 -13.478 -3.825 0.078
514 H MET 64 H MET 64 -8.727 -0.244 0.703
515 HA MET 64 HA MET 64 -6.267 -1.281 1.681
516 HB2 MET 64 HB2 MET 64 -6.929 1.232 0.142
517 HB3 MET 64 HB3 MET 64 -5.278 0.752 0.504
518 HG2 MET 64 HG2 MET 64 -5.877 -1.509 -0.551
519 HG3 MET 64 HG3 MET 64 -7.314 -0.706 -1.177
520 HE1 MET 64 HE1 MET 64 -2.946 -0.231 -2.294
521 HE2 MET 64 HE2 MET 64 -3.688 -1.172 -1.003
522 HE3 MET 64 HE3 MET 64 -3.419 0.557 -0.783
523 H SER 65 H SER 65 -8.125 1.594 2.628
524 HA SER 65 HA SER 65 -6.179 2.876 4.211
525 HB2 SER 65 HB2 SER 65 -9.126 2.592 4.868
526 HB3 SER 65 HB3 SER 65 -8.040 3.845 5.464
527 HG SER 65 HG SER 65 -8.052 3.553 2.732
528 H GLU 66 H GLU 66 -8.300 0.134 5.034
529 HA GLU 66 HA GLU 66 -7.533 -0.051 7.782
530 HB2 GLU 66 HB2 GLU 66 -8.415 -2.218 5.850
531 HB3 GLU 66 HB3 GLU 66 -8.324 -2.407 7.601
532 HG2 GLU 66 HG2 GLU 66 -10.017 -0.336 6.171
533 HG3 GLU 66 HG3 GLU 66 -10.627 -1.852 6.835
534 H TYR 67 H TYR 67 -6.160 -1.473 4.821
535 HA TYR 67 HA TYR 67 -4.152 -3.029 6.178
536 HB2 TYR 67 HB2 TYR 67 -4.761 -3.460 3.834
537 HB3 TYR 67 HB3 TYR 67 -4.114 -1.886 3.371
538 HD1 TYR 67 HD1 TYR 67 -3.262 -5.273 4.562
539 HD2 TYR 67 HD2 TYR 67 -1.722 -1.448 3.365
540 HE1 TYR 67 HE1 TYR 67 -0.976 -6.230 4.443
541 HE2 TYR 67 HE2 TYR 67 0.562 -2.403 3.242
542 HH TYR 67 HH TYR 67 1.137 -5.821 3.475
543 H LEU 68 H LEU 68 -4.127 0.233 4.760
544 HA LEU 68 HA LEU 68 -1.456 0.911 4.952
545 HB2 LEU 68 HB2 LEU 68 -4.000 2.384 5.252
546 HB3 LEU 68 HB3 LEU 68 -2.588 3.178 5.948
547 HG LEU 68 HG LEU 68 -3.055 3.720 3.514
548 HD11 LEU 68 HD11 LEU 68 -0.457 2.677 3.136
549 HD12 LEU 68 HD12 LEU 68 -0.599 3.063 4.848
550 HD13 LEU 68 HD13 LEU 68 -0.894 4.310 3.639
551 HD21 LEU 68 HD21 LEU 68 -1.710 1.221 2.692
552 HD22 LEU 68 HD22 LEU 68 -2.998 2.119 1.891
553 HD23 LEU 68 HD23 LEU 68 -3.378 1.030 3.218
554 H THR 69 H THR 69 -3.795 0.701 7.593
555 HA THR 69 HA THR 69 -2.293 1.790 9.683
556 HB THR 69 HB THR 69 -3.981 -0.712 9.899
557 HG1 THR 69 HG1 THR 69 -5.517 0.529 9.221
558 HG21 THR 69 HG21 THR 69 -4.512 0.440 12.127
559 HG22 THR 69 HG22 THR 69 -3.124 1.474 11.789
560 HG23 THR 69 HG23 THR 69 -2.906 -0.267 11.963
561 H ASN 70 H ASN 70 -2.029 -1.476 8.275
562 HA ASN 70 HA ASN 70 0.616 -1.712 9.620
563 HB2 ASN 70 HB2 ASN 70 -1.256 -2.865 10.959
564 HB3 ASN 70 HB3 ASN 70 -1.322 -4.020 9.627
565 HD21 ASN 70 HD21 ASN 70 -0.008 -5.811 9.952
566 HD22 ASN 70 HD22 ASN 70 1.435 -5.815 10.857
567 H HIS 71 H HIS 71 1.743 -3.811 8.761
568 HA HIS 71 HA HIS 71 1.421 -3.789 5.812
569 HB2 HIS 71 HB2 HIS 71 3.650 -4.050 7.622
570 HB3 HIS 71 HB3 HIS 71 3.587 -5.451 6.552
571 HD1 HIS 71 HD1 HIS 71 4.107 -1.745 6.562
572 HD2 HIS 71 HD2 HIS 71 3.948 -4.838 3.758
573 HE1 HIS 71 HE1 HIS 71 4.988 -0.791 4.386
574 H ALA 72 H ALA 72 0.697 -5.809 8.531
575 HA ALA 72 HA ALA 72 -0.154 -7.929 6.633
576 HB1 ALA 72 HB1 ALA 72 1.805 -8.285 8.893
577 HB2 ALA 72 HB2 ALA 72 1.979 -8.772 7.208
578 HB3 ALA 72 HB3 ALA 72 0.861 -9.634 8.268
579 H LYS 73 H LYS 73 -1.012 -5.989 9.178
580 HA LYS 73 HA LYS 73 -2.296 -7.747 10.997
581 HB2 LYS 73 HB2 LYS 73 -2.089 -5.285 11.343
582 HB3 LYS 73 HB3 LYS 73 -3.309 -5.033 10.093
583 HG2 LYS 73 HG2 LYS 73 -4.912 -6.395 11.414
584 HG3 LYS 73 HG3 LYS 73 -3.696 -6.566 12.680
585 HD2 LYS 73 HD2 LYS 73 -3.613 -4.067 12.862
586 HD3 LYS 73 HD3 LYS 73 -4.950 -3.981 11.714
587 HE2 LYS 73 HE2 LYS 73 -6.365 -5.294 13.231
588 HE3 LYS 73 HE3 LYS 73 -5.027 -5.443 14.370
589 HZ1 LYS 73 HZ1 LYS 73 -5.065 -3.155 14.810
590 HZ2 LYS 73 HZ2 LYS 73 -6.699 -3.626 14.821
591 HZ3 LYS 73 HZ3 LYS 73 -6.053 -2.816 13.474
592 H TYR 74 H TYR 74 -3.495 -6.347 7.945
593 HA TYR 74 HA TYR 74 -6.101 -7.546 8.088
594 HB2 TYR 74 HB2 TYR 74 -5.450 -5.673 6.538
595 HB3 TYR 74 HB3 TYR 74 -4.533 -6.846 5.592
596 HD1 TYR 74 HD2 TYR 74 -7.922 -5.873 6.725
597 HD2 TYR 74 HD1 TYR 74 -5.628 -8.450 4.167
598 HE1 TYR 74 HE2 TYR 74 -9.994 -6.538 5.536
599 HE2 TYR 74 HE1 TYR 74 -7.699 -9.114 2.977
600 HH TYR 74 HH TYR 74 -10.470 -7.468 3.053
601 H ILE 75 H ILE 75 -2.999 -8.637 6.780
602 HA ILE 75 HA ILE 75 -4.227 -11.330 6.308
603 HB ILE 75 HB ILE 75 -1.831 -11.238 4.876
604 HG12 ILE 75 HG12 ILE 75 -3.370 -8.658 4.456
605 HG13 ILE 75 HG13 ILE 75 -1.814 -8.765 5.280
606 HG21 ILE 75 HG21 ILE 75 -4.034 -12.236 4.227
607 HG22 ILE 75 HG22 ILE 75 -3.269 -11.321 2.929
608 HG23 ILE 75 HG23 ILE 75 -4.607 -10.614 3.838
609 HD11 ILE 75 HD11 ILE 75 -0.863 -9.824 3.211
610 HD12 ILE 75 HD12 ILE 75 -1.407 -8.164 2.965
611 HD13 ILE 75 HD13 ILE 75 -2.399 -9.509 2.400
612 HA PRO 76 HA PRO 76 -1.258 -11.686 9.867
613 HB2 PRO 76 HB2 PRO 76 -2.906 -14.135 10.231
614 HB3 PRO 76 HB3 PRO 76 -2.439 -12.905 11.419
615 HG2 PRO 76 HG2 PRO 76 -4.925 -13.067 10.442
616 HG3 PRO 76 HG3 PRO 76 -4.175 -11.523 10.875
617 HD2 PRO 76 HD2 PRO 76 -4.686 -12.672 8.168
618 HD3 PRO 76 HD3 PRO 76 -4.646 -10.971 8.685
619 H GLY 77 H GLY 77 0.600 -12.937 9.879
620 HA2 GLY 77 HA2 GLY 77 1.948 -14.858 9.379
621 HA3 GLY 77 HA3 GLY 77 0.668 -15.447 8.314
622 H THR 78 H THR 78 1.010 -12.224 7.673
623 HA THR 78 HA THR 78 2.533 -12.813 5.222
624 HB THR 78 HB THR 78 0.883 -10.476 6.165
625 HG1 THR 78 HG1 THR 78 0.381 -12.583 4.805
626 HG21 THR 78 HG21 THR 78 2.772 -9.391 5.159
627 HG22 THR 78 HG22 THR 78 1.498 -9.416 3.941
628 HG23 THR 78 HG23 THR 78 2.825 -10.572 3.850
629 H LYS 79 H LYS 79 4.278 -11.245 4.569
630 HA LYS 79 HA LYS 79 6.225 -11.015 6.706
631 HB2 LYS 79 HB2 LYS 79 6.269 -9.946 3.875
632 HB3 LYS 79 HB3 LYS 79 7.663 -10.044 4.948
633 HG2 LYS 79 HG2 LYS 79 7.328 -12.515 5.084
634 HG3 LYS 79 HG3 LYS 79 6.020 -12.368 3.907
635 HD2 LYS 79 HD2 LYS 79 7.678 -11.250 2.352
636 HD3 LYS 79 HD3 LYS 79 8.945 -11.699 3.493
637 HE2 LYS 79 HE2 LYS 79 7.302 -13.998 2.973
638 HE3 LYS 79 HE3 LYS 79 7.815 -13.298 1.437
639 HZ1 LYS 79 HZ1 LYS 79 10.035 -13.191 3.035
640 HZ2 LYS 79 HZ2 LYS 79 9.747 -14.302 1.783
641 HZ3 LYS 79 HZ3 LYS 79 9.351 -14.703 3.386
642 H MET 80 H MET 80 7.073 -9.107 7.619
643 HA MET 80 HA MET 80 5.624 -6.567 7.007
644 HB2 MET 80 HB2 MET 80 6.283 -7.670 9.759
645 HB3 MET 80 HB3 MET 80 5.658 -6.049 9.448
646 HG2 MET 80 HG2 MET 80 3.672 -7.091 8.329
647 HG3 MET 80 HG3 MET 80 4.274 -8.672 8.829
648 HE1 MET 80 HE1 MET 80 5.488 -7.738 11.979
649 HE2 MET 80 HE2 MET 80 5.083 -9.159 11.020
650 HE3 MET 80 HE3 MET 80 4.187 -8.819 12.499
651 H ALA 81 H ALA 81 6.939 -4.637 7.486
652 HA ALA 81 HA ALA 81 9.622 -4.824 8.486
653 HB1 ALA 81 HB1 ALA 81 9.522 -5.962 6.045
654 HB2 ALA 81 HB2 ALA 81 10.933 -5.078 6.625
655 HB3 ALA 81 HB3 ALA 81 9.767 -4.283 5.567
656 H PHE 82 H PHE 82 7.102 -3.061 8.269
657 HA PHE 82 HA PHE 82 8.493 -0.538 7.455
658 HB2 PHE 82 HB2 PHE 82 6.406 -1.050 6.199
659 HB3 PHE 82 HB3 PHE 82 5.513 -1.030 7.721
660 HD1 PHE 82 HD2 PHE 82 7.513 1.015 5.363
661 HD2 PHE 82 HD1 PHE 82 5.001 1.014 8.835
662 HE1 PHE 82 HE2 PHE 82 7.358 3.487 5.247
663 HE2 PHE 82 HE1 PHE 82 4.853 3.482 8.732
664 HZ PHE 82 HZ PHE 82 6.025 4.722 6.934
665 H GLY 83 H GLY 83 8.496 1.207 8.926
666 HA2 GLY 83 HA2 GLY 83 8.587 0.600 11.693
667 HA3 GLY 83 HA3 GLY 83 8.471 2.231 11.038
668 H GLY 84 H GLY 84 6.028 2.449 9.962
669 HA2 GLY 84 HA2 GLY 84 3.695 1.472 10.640
670 HA3 GLY 84 HA3 GLY 84 4.226 1.877 12.270
671 H LEU 85 H LEU 85 2.299 2.985 9.893
672 HA LEU 85 HA LEU 85 2.996 5.842 10.023
673 HB2 LEU 85 HB2 LEU 85 0.538 4.515 8.859
674 HB3 LEU 85 HB3 LEU 85 1.135 6.137 8.523
675 HG LEU 85 HG LEU 85 2.730 3.633 7.949
676 HD11 LEU 85 HD11 LEU 85 2.110 4.111 5.559
677 HD12 LEU 85 HD12 LEU 85 0.931 5.281 6.158
678 HD13 LEU 85 HD13 LEU 85 0.764 3.570 6.560
679 HD21 LEU 85 HD21 LEU 85 3.021 6.566 7.264
680 HD22 LEU 85 HD22 LEU 85 3.888 5.308 6.387
681 HD23 LEU 85 HD23 LEU 85 4.173 5.537 8.109
682 H LYS 86 H LYS 86 2.779 5.553 12.510
683 HA LYS 86 HA LYS 86 0.280 5.177 13.780
684 HB2 LYS 86 HB2 LYS 86 2.488 5.346 14.951
685 HB3 LYS 86 HB3 LYS 86 2.477 7.081 14.642
686 HG2 LYS 86 HG2 LYS 86 0.331 7.270 15.878
687 HG3 LYS 86 HG3 LYS 86 0.403 5.543 16.233
688 HD2 LYS 86 HD2 LYS 86 2.621 5.925 17.344
689 HD3 LYS 86 HD3 LYS 86 2.387 7.658 17.115
690 HE2 LYS 86 HE2 LYS 86 0.183 7.411 18.355
691 HE3 LYS 86 HE3 LYS 86 0.689 5.771 18.765
692 HZ1 LYS 86 HZ1 LYS 86 2.585 6.609 19.900
693 HZ2 LYS 86 HZ2 LYS 86 1.237 7.474 20.467
694 HZ3 LYS 86 HZ3 LYS 86 2.302 8.189 19.355
695 H LYS 87 H LYS 87 1.650 8.023 12.205
696 HA LYS 87 HA LYS 87 -0.451 9.811 13.127
697 HB2 LYS 87 HB2 LYS 87 1.522 10.059 10.833
698 HB3 LYS 87 HB3 LYS 87 0.476 11.359 11.407
699 HG2 LYS 87 HG2 LYS 87 1.512 11.144 13.668
700 HG3 LYS 87 HG3 LYS 87 2.618 9.935 13.013
701 HD2 LYS 87 HD2 LYS 87 3.411 11.620 11.348
702 HD3 LYS 87 HD3 LYS 87 2.379 12.823 12.121
703 HE2 LYS 87 HE2 LYS 87 4.109 11.358 13.998
704 HE3 LYS 87 HE3 LYS 87 4.991 12.328 12.820
705 HZ1 LYS 87 HZ1 LYS 87 3.894 13.274 15.093
706 HZ2 LYS 87 HZ2 LYS 87 2.697 13.654 13.948
707 HZ3 LYS 87 HZ3 LYS 87 4.287 14.218 13.741
708 H GLU 88 H GLU 88 -2.484 9.884 12.324
709 HA GLU 88 HA GLU 88 -3.381 8.171 10.220
710 HB2 GLU 88 HB2 GLU 88 -4.668 10.639 11.402
711 HB3 GLU 88 HB3 GLU 88 -5.491 9.477 10.365
712 HG2 GLU 88 HG2 GLU 88 -4.970 7.683 12.009
713 HG3 GLU 88 HG3 GLU 88 -4.234 8.891 13.063
714 H LYS 89 H LYS 89 -2.231 11.485 10.256
715 HA LYS 89 HA LYS 89 -3.196 12.364 7.751
716 HB2 LYS 89 HB2 LYS 89 -0.601 12.997 9.177
717 HB3 LYS 89 HB3 LYS 89 -1.216 13.889 7.789
718 HG2 LYS 89 HG2 LYS 89 -3.303 14.375 9.069
719 HG3 LYS 89 HG3 LYS 89 -2.590 13.575 10.471
720 HD2 LYS 89 HD2 LYS 89 -0.685 15.191 10.367
721 HD3 LYS 89 HD3 LYS 89 -1.520 16.037 9.063
722 HE2 LYS 89 HE2 LYS 89 -2.600 17.225 10.645
723 HE3 LYS 89 HE3 LYS 89 -3.451 15.740 11.075
724 HZ1 LYS 89 HZ1 LYS 89 -2.410 15.775 13.010
725 HZ2 LYS 89 HZ2 LYS 89 -1.527 17.156 12.561
726 HZ3 LYS 89 HZ3 LYS 89 -0.920 15.607 12.218
727 H ASP 90 H ASP 90 -0.236 10.532 8.520
728 HA ASP 90 HA ASP 90 0.832 10.548 5.874
729 HB2 ASP 90 HB2 ASP 90 1.119 8.479 8.074
730 HB3 ASP 90 HB3 ASP 90 2.113 8.556 6.622
731 H ARG 91 H ARG 91 -1.085 8.021 7.547
732 HA ARG 91 HA ARG 91 -1.345 6.297 5.309
733 HB2 ARG 91 HB2 ARG 91 -3.310 6.780 7.569
734 HB3 ARG 91 HB3 ARG 91 -3.350 5.401 6.471
735 HG2 ARG 91 HG2 ARG 91 -1.036 4.808 7.219
736 HG3 ARG 91 HG3 ARG 91 -1.132 6.107 8.408
737 HD2 ARG 91 HD2 ARG 91 -2.953 3.690 8.238
738 HD3 ARG 91 HD3 ARG 91 -1.742 4.004 9.481
739 HE ARG 91 HE ARG 91 -3.415 6.228 9.559
740 HH11 ARG 91 HH21 ARG 91 -3.732 2.802 9.777
741 HH12 ARG 91 HH22 ARG 91 -5.110 2.863 10.824
742 HH21 ARG 91 HH11 ARG 91 -5.216 6.326 10.920
743 HH22 ARG 91 HH12 ARG 91 -5.951 4.858 11.471
744 H ASN 92 H ASN 92 -3.365 9.059 6.295
745 HA ASN 92 HA ASN 92 -5.360 8.639 4.266
746 HB2 ASN 92 HB2 ASN 92 -4.581 11.116 5.819
747 HB3 ASN 92 HB3 ASN 92 -5.995 11.002 4.779
748 HD21 ASN 92 HD21 ASN 92 -6.659 11.542 7.329
749 HD22 ASN 92 HD22 ASN 92 -7.224 10.167 8.150
750 H ASP 93 H ASP 93 -2.754 11.083 4.460
751 HA ASP 93 HA ASP 93 -3.143 12.065 1.808
752 HB2 ASP 93 HB2 ASP 93 -0.666 12.054 3.557
753 HB3 ASP 93 HB3 ASP 93 -0.814 12.966 2.054
754 H LEU 94 H LEU 94 -1.107 9.483 3.090
755 HA LEU 94 HA LEU 94 0.467 8.885 0.860
756 HB2 LEU 94 HB2 LEU 94 0.739 7.727 2.976
757 HB3 LEU 94 HB3 LEU 94 -0.863 7.019 2.837
758 HG LEU 94 HG LEU 94 -0.206 5.642 1.005
759 HD11 LEU 94 HD11 LEU 94 1.089 7.066 -0.374
760 HD12 LEU 94 HD12 LEU 94 2.229 5.836 0.170
761 HD13 LEU 94 HD13 LEU 94 2.225 7.430 0.926
762 HD21 LEU 94 HD21 LEU 94 1.029 5.517 3.504
763 HD22 LEU 94 HD22 LEU 94 2.352 5.293 2.358
764 HD23 LEU 94 HD23 LEU 94 0.956 4.221 2.313
765 H ILE 95 H ILE 95 -2.662 7.380 1.642
766 HA ILE 95 HA ILE 95 -2.922 6.071 -0.881
767 HB ILE 95 HB ILE 95 -4.999 6.866 1.169
768 HG12 ILE 95 HG12 ILE 95 -3.674 4.206 0.562
769 HG13 ILE 95 HG13 ILE 95 -3.179 5.283 1.866
770 HG21 ILE 95 HG21 ILE 95 -5.160 5.515 -1.467
771 HG22 ILE 95 HG22 ILE 95 -6.380 6.449 -0.604
772 HG23 ILE 95 HG23 ILE 95 -6.070 4.773 -0.153
773 HD11 ILE 95 HD11 ILE 95 -4.938 3.315 2.283
774 HD12 ILE 95 HD12 ILE 95 -6.069 4.539 1.711
775 HD13 ILE 95 HD13 ILE 95 -5.068 4.859 3.126
776 H THR 96 H THR 96 -3.813 9.298 0.214
777 HA THR 96 HA THR 96 -5.661 10.031 -1.753
778 HB THR 96 HB THR 96 -3.386 11.775 -0.773
779 HG1 THR 96 HG1 THR 96 -4.709 12.211 0.972
780 HG21 THR 96 HG21 THR 96 -4.745 12.722 -2.582
781 HG22 THR 96 HG22 THR 96 -5.063 13.565 -1.065
782 HG23 THR 96 HG23 THR 96 -6.212 12.373 -1.671
783 H TYR 97 H TYR 97 -2.113 9.948 -1.943
784 HA TYR 97 HA TYR 97 -2.021 10.907 -4.672
785 HB2 TYR 97 HB2 TYR 97 -0.069 11.166 -3.262
786 HB3 TYR 97 HB3 TYR 97 0.003 9.428 -2.971
787 HD1 TYR 97 HD2 TYR 97 0.210 12.005 -5.673
788 HD2 TYR 97 HD1 TYR 97 1.135 7.998 -4.447
789 HE1 TYR 97 HE2 TYR 97 1.590 11.699 -7.712
790 HE2 TYR 97 HE1 TYR 97 2.507 7.684 -6.482
791 HH TYR 97 HH TYR 97 3.309 8.631 -8.321
792 H LEU 98 H LEU 98 -1.852 7.689 -3.164
793 HA LEU 98 HA LEU 98 -1.450 6.197 -5.555
794 HB2 LEU 98 HB2 LEU 98 -2.959 5.388 -3.054
795 HB3 LEU 98 HB3 LEU 98 -2.312 4.285 -4.268
796 HG LEU 98 HG LEU 98 -0.635 6.235 -2.660
797 HD11 LEU 98 HD11 LEU 98 -1.100 4.687 -1.021
798 HD12 LEU 98 HD12 LEU 98 0.178 3.795 -1.849
799 HD13 LEU 98 HD13 LEU 98 -1.514 3.427 -2.183
800 HD21 LEU 98 HD21 LEU 98 0.582 5.806 -4.597
801 HD22 LEU 98 HD22 LEU 98 -0.091 4.188 -4.787
802 HD23 LEU 98 HD23 LEU 98 1.131 4.496 -3.554
803 H LYS 99 H LYS 99 -4.458 7.104 -3.878
804 HA LYS 99 HA LYS 99 -6.236 5.848 -5.717
805 HB2 LYS 99 HB2 LYS 99 -6.956 6.681 -3.515
806 HB3 LYS 99 HB3 LYS 99 -6.676 8.332 -4.053
807 HG2 LYS 99 HG2 LYS 99 -8.351 7.999 -5.867
808 HG3 LYS 99 HG3 LYS 99 -8.669 6.383 -5.239
809 HD2 LYS 99 HD2 LYS 99 -9.291 7.407 -3.045
810 HD3 LYS 99 HD3 LYS 99 -9.090 9.001 -3.772
811 HE2 LYS 99 HE2 LYS 99 -10.946 6.908 -4.922
812 HE3 LYS 99 HE3 LYS 99 -11.476 8.108 -3.743
813 HZ1 LYS 99 HZ1 LYS 99 -10.573 9.824 -5.293
814 HZ2 LYS 99 HZ2 LYS 99 -11.924 8.978 -5.880
815 HZ3 LYS 99 HZ3 LYS 99 -10.368 8.600 -6.448
816 H LYS 100 H LYS 100 -4.738 9.053 -5.705
817 HA LYS 100 HA LYS 100 -6.165 10.192 -7.883
818 HB2 LYS 100 HB2 LYS 100 -4.493 11.341 -6.343
819 HB3 LYS 100 HB3 LYS 100 -3.222 10.612 -7.317
820 HG2 LYS 100 HG2 LYS 100 -4.172 11.686 -9.341
821 HG3 LYS 100 HG3 LYS 100 -5.395 12.464 -8.336
822 HD2 LYS 100 HD2 LYS 100 -3.545 13.523 -7.010
823 HD3 LYS 100 HD3 LYS 100 -2.394 12.857 -8.170
824 HE2 LYS 100 HE2 LYS 100 -4.717 14.617 -8.988
825 HE3 LYS 100 HE3 LYS 100 -3.115 15.254 -8.620
826 HZ1 LYS 100 HZ1 LYS 100 -2.268 14.454 -10.518
827 HZ2 LYS 100 HZ2 LYS 100 -3.883 14.421 -11.042
828 HZ3 LYS 100 HZ3 LYS 100 -3.152 13.009 -10.444
829 H ALA 101 H ALA 101 -3.266 8.179 -7.799
830 HA ALA 101 HA ALA 101 -2.814 8.216 -10.651
831 HB1 ALA 101 HB1 ALA 101 -0.895 7.460 -9.649
832 HB2 ALA 101 HB2 ALA 101 -1.658 5.887 -9.878
833 HB3 ALA 101 HB3 ALA 101 -1.768 6.702 -8.318
834 H THR 102 H THR 102 -4.307 5.841 -8.451
835 HA THR 102 HA THR 102 -5.151 4.034 -10.507
836 HB THR 102 HB THR 102 -6.508 4.541 -7.840
837 HG1 THR 102 HG1 THR 102 -4.888 2.435 -7.851
838 HG21 THR 102 HG21 THR 102 -7.551 2.499 -8.123
839 HG22 THR 102 HG22 THR 102 -6.275 1.874 -9.167
840 HG23 THR 102 HG23 THR 102 -7.456 3.017 -9.805
841 H GLU 103 H GLU 103 -6.478 7.003 -9.189
842 HA GLU 103 HA GLU 103 -9.144 6.841 -10.110
843 HB2 GLU 103 HB2 GLU 103 -8.190 8.706 -8.725
844 HB3 GLU 103 HB3 GLU 103 -7.395 9.318 -10.175
845 HG2 GLU 103 HG2 GLU 103 -9.620 9.481 -11.286
846 HG3 GLU 103 HG3 GLU 103 -10.380 8.977 -9.776
847 HHA HEC 104 HA HEC 104 2.782 -6.456 0.869
848 HHB HEC 104 HB HEC 104 1.394 -0.248 0.841
849 HHC HEC 104 HC HEC 104 7.401 1.061 2.337
850 HHD HEC 104 HD HEC 104 8.793 -5.085 2.150
851 HMA1 HEC 104 1HMA HEC 104 -0.407 -2.114 -0.805
852 HMA2 HEC 104 2HMA HEC 104 -0.501 -1.349 0.777
853 HMA3 HEC 104 3HMA HEC 104 -1.180 -2.948 0.536
854 HAA1 HEC 104 1HAA HEC 104 0.690 -6.281 0.509
855 HAA2 HEC 104 2HAA HEC 104 -0.364 -5.340 1.537
856 HBA1 HEC 104 1HBA HEC 104 -0.495 -4.371 -1.181
857 HBA2 HEC 104 2HBA HEC 104 -1.788 -5.003 -0.161
858 HMB1 HEC 104 1HMB HEC 104 1.875 2.131 2.422
859 HMB2 HEC 104 2HMB HEC 104 2.741 3.230 1.348
860 HMB3 HEC 104 3HMB HEC 104 1.680 1.997 0.674
861 HAB HEC 104 HAB HEC 104 6.462 2.895 1.868
862 HBB1 HEC 104 1HBB HEC 104 5.565 3.888 3.669
863 HBB2 HEC 104 2HBB HEC 104 3.946 3.308 3.282
864 HBB3 HEC 104 3HBB HEC 104 4.566 4.772 2.516
865 HMC1 HEC 104 1HMC HEC 104 9.317 0.383 3.922
866 HMC2 HEC 104 2HMC HEC 104 10.742 -0.418 3.260
867 HMC3 HEC 104 3HMC HEC 104 9.859 0.756 2.284
868 HAC HEC 104 HAC HEC 104 10.612 -3.950 1.950
869 HBC1 HEC 104 1HBC HEC 104 12.239 -2.405 3.648
870 HBC2 HEC 104 2HBC HEC 104 10.668 -2.485 4.447
871 HBC3 HEC 104 3HBC HEC 104 11.515 -3.970 4.016
872 HMD1 HEC 104 1HMD HEC 104 7.257 -8.454 2.516
873 HMD2 HEC 104 2HMD HEC 104 8.285 -7.104 2.929
874 HMD3 HEC 104 3HMD HEC 104 8.366 -7.807 1.317
875 HAD1 HEC 104 1HAD HEC 104 4.181 -8.089 0.074
876 HAD2 HEC 104 2HAD HEC 104 4.141 -8.601 1.745
877 HBD1 HEC 104 1HBD HEC 104 6.030 -9.901 1.519
878 HBD2 HEC 104 2HBD HEC 104 6.711 -8.887 0.244
Start of MODEL 20
1 H1 THR -5 H1 THR -5 -13.911 14.096 0.241
2 H2 THR -5 H2 THR -5 -13.377 12.582 0.795
3 H3 THR -5 H3 THR -5 -14.512 13.468 1.697
4 HA THR -5 HA THR -5 -16.177 13.192 0.020
5 HB THR -5 HB THR -5 -15.470 11.551 -1.891
6 HG1 THR -5 HG1 THR -5 -13.222 11.978 -2.418
7 HG21 THR -5 HG21 THR -5 -14.313 13.718 -3.006
8 HG22 THR -5 HG22 THR -5 -15.050 14.475 -1.593
9 HG23 THR -5 HG23 THR -5 -16.053 13.592 -2.744
10 H GLU -4 H GLU -4 -14.881 10.209 -0.899
11 HA GLU -4 HA GLU -4 -16.643 8.708 0.769
12 HB2 GLU -4 HB2 GLU -4 -14.123 7.844 -0.683
13 HB3 GLU -4 HB3 GLU -4 -15.300 6.738 0.028
14 HG2 GLU -4 HG2 GLU -4 -17.066 7.721 -1.419
15 HG3 GLU -4 HG3 GLU -4 -15.849 8.758 -2.166
16 H PHE -3 H PHE -3 -13.290 9.720 1.188
17 HA PHE -3 HA PHE -3 -13.453 8.759 3.997
18 HB2 PHE -3 HB2 PHE -3 -11.143 7.939 3.883
19 HB3 PHE -3 HB3 PHE -3 -12.137 7.114 2.682
20 HD1 PHE -3 HD1 PHE -3 -12.014 7.776 0.279
21 HD2 PHE -3 HD2 PHE -3 -9.358 9.410 3.232
22 HE1 PHE -3 HE1 PHE -3 -10.501 8.567 -1.519
23 HE2 PHE -3 HE2 PHE -3 -7.845 10.203 1.434
24 HZ PHE -3 HZ PHE -3 -8.417 9.780 -0.941
25 H LYS -2 H LYS -2 -11.889 9.906 5.420
26 HA LYS -2 HA LYS -2 -11.796 12.737 4.761
27 HB2 LYS -2 HB2 LYS -2 -12.168 11.844 7.081
28 HB3 LYS -2 HB3 LYS -2 -10.495 11.291 7.088
29 HG2 LYS -2 HG2 LYS -2 -10.354 13.386 8.143
30 HG3 LYS -2 HG3 LYS -2 -9.921 13.761 6.476
31 HD2 LYS -2 HD2 LYS -2 -12.147 14.579 6.008
32 HD3 LYS -2 HD3 LYS -2 -12.738 14.008 7.568
33 HE2 LYS -2 HE2 LYS -2 -11.367 15.607 8.749
34 HE3 LYS -2 HE3 LYS -2 -10.542 16.072 7.260
35 HZ1 LYS -2 HZ1 LYS -2 -12.221 17.391 6.652
36 HZ2 LYS -2 HZ2 LYS -2 -12.696 17.321 8.281
37 HZ3 LYS -2 HZ3 LYS -2 -13.414 16.288 7.140
38 H ALA -1 H ALA -1 -10.070 13.877 3.963
39 HA ALA -1 HA ALA -1 -7.434 12.492 3.830
40 HB1 ALA -1 HB1 ALA -1 -8.136 14.308 1.594
41 HB2 ALA -1 HB2 ALA -1 -8.997 12.770 1.638
42 HB3 ALA -1 HB3 ALA -1 -7.235 12.793 1.573
43 H GLY 1 H GLY 1 -5.954 14.510 2.679
44 HA2 GLY 1 HA2 GLY 1 -6.502 17.001 4.163
45 HA3 GLY 1 HA3 GLY 1 -5.030 16.136 4.607
46 H SER 2 H SER 2 -3.515 15.650 2.751
47 HA SER 2 HA SER 2 -3.784 17.471 0.449
48 HB2 SER 2 HB2 SER 2 -1.941 17.850 2.698
49 HB3 SER 2 HB3 SER 2 -1.132 17.821 1.136
50 HG SER 2 HG SER 2 -2.978 19.309 0.535
51 H ALA 3 H ALA 3 -3.554 16.036 -1.199
52 HA ALA 3 HA ALA 3 -2.172 13.536 -0.979
53 HB1 ALA 3 HB1 ALA 3 -2.369 14.710 -3.681
54 HB2 ALA 3 HB2 ALA 3 -3.895 14.638 -2.799
55 HB3 ALA 3 HB3 ALA 3 -2.968 13.164 -3.080
56 H LYS 4 H LYS 4 -1.112 16.763 -1.654
57 HA LYS 4 HA LYS 4 1.239 16.301 -3.151
58 HB2 LYS 4 HB2 LYS 4 0.795 18.312 -0.922
59 HB3 LYS 4 HB3 LYS 4 2.045 18.412 -2.163
60 HG2 LYS 4 HG2 LYS 4 0.512 18.852 -3.867
61 HG3 LYS 4 HG3 LYS 4 -0.831 18.131 -2.982
62 HD2 LYS 4 HD2 LYS 4 0.530 20.559 -1.857
63 HD3 LYS 4 HD3 LYS 4 -0.640 20.754 -3.161
64 HE2 LYS 4 HE2 LYS 4 -2.287 19.427 -1.800
65 HE3 LYS 4 HE3 LYS 4 -1.129 19.434 -0.473
66 HZ1 LYS 4 HZ1 LYS 4 -1.627 21.529 0.031
67 HZ2 LYS 4 HZ2 LYS 4 -2.991 21.348 -0.966
68 HZ3 LYS 4 HZ3 LYS 4 -1.567 22.038 -1.586
69 H LYS 5 H LYS 5 0.829 16.355 0.410
70 HA LYS 5 HA LYS 5 3.544 15.633 0.979
71 HB2 LYS 5 HB2 LYS 5 1.019 15.270 2.597
72 HB3 LYS 5 HB3 LYS 5 2.645 15.036 3.225
73 HG2 LYS 5 HG2 LYS 5 3.185 17.390 2.592
74 HG3 LYS 5 HG3 LYS 5 1.506 17.608 2.102
75 HD2 LYS 5 HD2 LYS 5 0.794 16.982 4.414
76 HD3 LYS 5 HD3 LYS 5 2.494 16.911 4.883
77 HE2 LYS 5 HE2 LYS 5 2.704 19.306 4.062
78 HE3 LYS 5 HE3 LYS 5 0.946 19.330 3.928
79 HZ1 LYS 5 HZ1 LYS 5 2.561 19.607 6.237
80 HZ2 LYS 5 HZ2 LYS 5 1.514 18.281 6.417
81 HZ3 LYS 5 HZ3 LYS 5 0.887 19.822 6.073
82 H GLY 6 H GLY 6 0.575 13.732 0.598
83 HA2 GLY 6 HA2 GLY 6 1.709 11.196 1.265
84 HA3 GLY 6 HA3 GLY 6 0.266 11.429 0.281
85 H ALA 7 H ALA 7 1.577 13.012 -1.763
86 HA ALA 7 HA ALA 7 2.434 10.926 -3.497
87 HB1 ALA 7 HB1 ALA 7 2.668 12.572 -5.099
88 HB2 ALA 7 HB2 ALA 7 3.413 13.706 -3.973
89 HB3 ALA 7 HB3 ALA 7 1.670 13.448 -3.938
90 H THR 8 H THR 8 4.336 13.337 -1.681
91 HA THR 8 HA THR 8 6.857 12.205 -2.572
92 HB THR 8 HB THR 8 7.873 13.787 -1.065
93 HG1 THR 8 HG1 THR 8 6.511 14.960 0.381
94 HG21 THR 8 HG21 THR 8 5.693 15.577 -1.714
95 HG22 THR 8 HG22 THR 8 6.023 14.481 -3.057
96 HG23 THR 8 HG23 THR 8 7.311 15.498 -2.411
97 H LEU 9 H LEU 9 4.708 11.728 0.176
98 HA LEU 9 HA LEU 9 6.503 10.442 1.948
99 HB2 LEU 9 HB2 LEU 9 4.119 11.078 2.457
100 HB3 LEU 9 HB3 LEU 9 3.600 9.705 1.481
101 HG LEU 9 HG LEU 9 4.983 8.213 2.957
102 HD11 LEU 9 HD11 LEU 9 5.487 10.866 4.249
103 HD12 LEU 9 HD12 LEU 9 6.582 9.504 4.023
104 HD13 LEU 9 HD13 LEU 9 5.354 9.446 5.287
105 HD21 LEU 9 HD21 LEU 9 3.024 7.878 4.018
106 HD22 LEU 9 HD22 LEU 9 2.471 9.456 3.457
107 HD23 LEU 9 HD23 LEU 9 3.299 9.311 5.008
108 H PHE 10 H PHE 10 4.560 9.128 -0.717
109 HA PHE 10 HA PHE 10 5.405 6.408 -0.389
110 HB2 PHE 10 HB2 PHE 10 3.442 7.024 -1.755
111 HB3 PHE 10 HB3 PHE 10 4.499 7.864 -2.895
112 HD1 PHE 10 HD2 PHE 10 6.294 6.536 -4.112
113 HD2 PHE 10 HD1 PHE 10 3.124 4.667 -1.894
114 HE1 PHE 10 HE2 PHE 10 6.710 4.409 -5.313
115 HE2 PHE 10 HE1 PHE 10 3.542 2.536 -3.096
116 HZ PHE 10 HZ PHE 10 5.337 2.407 -4.808
117 H LYS 11 H LYS 11 6.619 9.093 -2.361
118 HA LYS 11 HA LYS 11 8.638 7.634 -3.710
119 HB2 LYS 11 HB2 LYS 11 8.496 10.566 -2.987
120 HB3 LYS 11 HB3 LYS 11 9.662 9.873 -4.110
121 HG2 LYS 11 HG2 LYS 11 7.760 9.002 -5.478
122 HG3 LYS 11 HG3 LYS 11 6.651 9.844 -4.398
123 HD2 LYS 11 HD2 LYS 11 7.815 11.987 -4.935
124 HD3 LYS 11 HD3 LYS 11 8.805 11.115 -6.106
125 HE2 LYS 11 HE2 LYS 11 7.166 11.620 -7.589
126 HE3 LYS 11 HE3 LYS 11 6.258 10.329 -6.802
127 HZ1 LYS 11 HZ1 LYS 11 4.867 12.192 -6.752
128 HZ2 LYS 11 HZ2 LYS 11 6.121 13.239 -6.289
129 HZ3 LYS 11 HZ3 LYS 11 5.512 12.100 -5.185
130 H THR 12 H THR 12 8.671 9.214 -0.542
131 HA THR 12 HA THR 12 11.566 8.609 -0.299
132 HB THR 12 HB THR 12 10.863 10.845 0.371
133 HG1 THR 12 HG1 THR 12 11.948 10.827 2.238
134 HG21 THR 12 HG21 THR 12 9.446 10.346 2.771
135 HG22 THR 12 HG22 THR 12 8.667 9.383 1.516
136 HG23 THR 12 HG23 THR 12 8.841 11.124 1.309
137 H ARG 13 H ARG 13 8.890 6.789 0.195
138 HA ARG 13 HA ARG 13 10.223 5.386 2.467
139 HB2 ARG 13 HB2 ARG 13 7.284 6.076 2.283
140 HB3 ARG 13 HB3 ARG 13 7.953 4.916 3.432
141 HG2 ARG 13 HG2 ARG 13 9.485 6.719 4.270
142 HG3 ARG 13 HG3 ARG 13 8.642 7.859 3.223
143 HD2 ARG 13 HD2 ARG 13 6.499 7.243 4.370
144 HD3 ARG 13 HD3 ARG 13 7.433 6.249 5.488
145 HE ARG 13 HE ARG 13 8.355 9.021 5.327
146 HH11 ARG 13 HH21 ARG 13 6.231 6.724 6.772
147 HH12 ARG 13 HH22 ARG 13 6.024 7.634 8.231
148 HH21 ARG 13 HH11 ARG 13 8.098 10.224 7.223
149 HH22 ARG 13 HH12 ARG 13 7.081 9.615 8.486
150 H CYS 14 H CYS 14 7.313 4.919 0.412
151 HA CYS 14 HA CYS 14 7.706 2.060 0.357
152 HB2 CYS 14 HB2 CYS 14 6.139 3.429 -1.771
153 HB3 CYS 14 HB3 CYS 14 5.759 1.959 -0.880
154 H LEU 15 H LEU 15 8.797 4.670 -1.726
155 HA LEU 15 HA LEU 15 9.396 3.218 -4.064
156 HB2 LEU 15 HB2 LEU 15 9.648 5.674 -3.827
157 HB3 LEU 15 HB3 LEU 15 11.085 5.413 -2.841
158 HG LEU 15 HG LEU 15 12.067 4.113 -4.772
159 HD11 LEU 15 HD11 LEU 15 10.676 5.162 -6.938
160 HD12 LEU 15 HD12 LEU 15 9.395 4.664 -5.833
161 HD13 LEU 15 HD13 LEU 15 10.599 3.494 -6.375
162 HD21 LEU 15 HD21 LEU 15 12.480 6.190 -6.167
163 HD22 LEU 15 HD22 LEU 15 12.786 6.389 -4.441
164 HD23 LEU 15 HD23 LEU 15 11.301 7.020 -5.151
165 H GLN 16 H GLN 16 11.193 3.411 -1.024
166 HA GLN 16 HA GLN 16 13.603 2.203 -1.873
167 HB2 GLN 16 HB2 GLN 16 12.194 1.938 0.799
168 HB3 GLN 16 HB3 GLN 16 13.885 1.537 0.498
169 HG2 GLN 16 HG2 GLN 16 12.638 4.274 0.107
170 HG3 GLN 16 HG3 GLN 16 13.661 3.803 1.464
171 HE21 GLN 16 HE21 GLN 16 13.912 5.598 -1.212
172 HE22 GLN 16 HE22 GLN 16 15.498 5.240 -1.701
173 H CYS 17 H CYS 17 10.527 0.686 -0.905
174 HA CYS 17 HA CYS 17 11.728 -1.956 -1.629
175 HB2 CYS 17 HB2 CYS 17 9.356 -1.308 0.129
176 HB3 CYS 17 HB3 CYS 17 9.881 -2.938 -0.278
177 H HIS 18 H HIS 18 8.779 -0.001 -2.025
178 HA HIS 18 HA HIS 18 7.904 -1.872 -4.169
179 HB2 HIS 18 HB2 HIS 18 6.461 0.487 -2.938
180 HB3 HIS 18 HB3 HIS 18 5.782 -0.634 -4.115
181 HD1 HIS 18 HD1 HIS 18 5.776 -3.256 -3.268
182 HD2 HIS 18 HD2 HIS 18 6.129 -0.310 -0.343
183 HE1 HIS 18 HE1 HIS 18 5.085 -4.329 -1.072
184 H THR 19 H THR 19 7.334 -1.091 -6.238
185 HA THR 19 HA THR 19 8.253 1.657 -6.928
186 HB THR 19 HB THR 19 8.752 -0.292 -9.045
187 HG1 THR 19 HG1 THR 19 10.709 -0.497 -7.151
188 HG21 THR 19 HG21 THR 19 9.532 2.131 -8.824
189 HG22 THR 19 HG22 THR 19 10.764 0.961 -9.297
190 HG23 THR 19 HG23 THR 19 10.693 1.543 -7.633
191 H VAL 20 H VAL 20 6.319 2.567 -7.554
192 HA VAL 20 HA VAL 20 4.098 1.056 -8.581
193 HB VAL 20 HB VAL 20 3.102 3.235 -9.093
194 HG11 VAL 20 HG11 VAL 20 4.524 4.029 -6.649
195 HG12 VAL 20 HG12 VAL 20 3.918 2.373 -6.599
196 HG13 VAL 20 HG13 VAL 20 2.807 3.710 -6.896
197 HG21 VAL 20 HG21 VAL 20 4.834 5.194 -8.369
198 HG22 VAL 20 HG22 VAL 20 4.624 4.665 -10.038
199 HG23 VAL 20 HG23 VAL 20 5.963 4.038 -9.076
200 H GLU 21 H GLU 21 6.974 2.255 -10.047
201 HA GLU 21 HA GLU 21 6.169 2.740 -12.702
202 HB2 GLU 21 HB2 GLU 21 8.696 1.383 -11.712
203 HB3 GLU 21 HB3 GLU 21 8.466 2.015 -13.342
204 HG2 GLU 21 HG2 GLU 21 8.287 3.654 -10.797
205 HG3 GLU 21 HG3 GLU 21 9.665 3.629 -11.895
206 H LYS 22 H LYS 22 5.996 1.356 -14.536
207 HA LYS 22 HA LYS 22 4.731 -1.174 -14.015
208 HB2 LYS 22 HB2 LYS 22 5.843 -0.014 -16.589
209 HB3 LYS 22 HB3 LYS 22 4.827 -1.454 -16.494
210 HG2 LYS 22 HG2 LYS 22 3.059 -0.083 -15.382
211 HG3 LYS 22 HG3 LYS 22 4.062 1.348 -15.624
212 HD2 LYS 22 HD2 LYS 22 4.046 0.890 -18.081
213 HD3 LYS 22 HD3 LYS 22 2.932 -0.448 -17.791
214 HE2 LYS 22 HE2 LYS 22 1.317 1.125 -18.095
215 HE3 LYS 22 HE3 LYS 22 1.694 1.581 -16.434
216 HZ1 LYS 22 HZ1 LYS 22 3.306 3.174 -17.282
217 HZ2 LYS 22 HZ2 LYS 22 1.754 3.496 -17.893
218 HZ3 LYS 22 HZ3 LYS 22 2.920 2.745 -18.876
219 H GLY 23 H GLY 23 5.538 -3.267 -14.235
220 HA2 GLY 23 HA2 GLY 23 7.281 -4.835 -14.987
221 HA3 GLY 23 HA3 GLY 23 8.463 -3.539 -14.796
222 H GLY 24 H GLY 24 7.237 -2.688 -12.216
223 HA2 GLY 24 HA2 GLY 24 7.758 -3.082 -9.952
224 HA3 GLY 24 HA3 GLY 24 7.037 -4.653 -10.270
225 HA PRO 25 HA PRO 25 11.816 -5.183 -11.268
226 HB2 PRO 25 HB2 PRO 25 13.267 -3.266 -9.782
227 HB3 PRO 25 HB3 PRO 25 13.096 -3.328 -11.543
228 HG2 PRO 25 HG2 PRO 25 11.696 -1.645 -9.570
229 HG3 PRO 25 HG3 PRO 25 12.071 -1.327 -11.271
230 HD2 PRO 25 HD2 PRO 25 9.564 -1.924 -10.416
231 HD3 PRO 25 HD3 PRO 25 10.147 -2.371 -12.032
232 H HIS 26 H HIS 26 10.420 -4.057 -8.262
233 HA HIS 26 HA HIS 26 10.548 -4.914 -6.085
234 HB2 HIS 26 HB2 HIS 26 11.676 -7.400 -7.394
235 HB3 HIS 26 HB3 HIS 26 10.798 -7.293 -5.871
236 HD1 HIS 26 HD1 HIS 26 8.377 -5.654 -6.585
237 HD2 HIS 26 HD2 HIS 26 9.898 -8.602 -9.106
238 HE1 HIS 26 HE1 HIS 26 6.473 -6.345 -8.110
239 HE2 HIS 26 HE2 HIS 26 7.393 -8.137 -9.650
240 H LYS 27 H LYS 27 12.617 -3.260 -6.514
241 HA LYS 27 HA LYS 27 15.244 -4.238 -6.481
242 HB2 LYS 27 HB2 LYS 27 14.643 -1.823 -6.525
243 HB3 LYS 27 HB3 LYS 27 14.142 -1.931 -4.840
244 HG2 LYS 27 HG2 LYS 27 16.343 -1.089 -4.722
245 HG3 LYS 27 HG3 LYS 27 16.536 -2.806 -4.388
246 HD2 LYS 27 HD2 LYS 27 17.255 -3.238 -6.655
247 HD3 LYS 27 HD3 LYS 27 16.848 -1.595 -7.148
248 HE2 LYS 27 HE2 LYS 27 19.193 -1.546 -6.819
249 HE3 LYS 27 HE3 LYS 27 18.531 -0.836 -5.347
250 HZ1 LYS 27 HZ1 LYS 27 20.288 -2.596 -5.046
251 HZ2 LYS 27 HZ2 LYS 27 19.137 -3.725 -5.584
252 HZ3 LYS 27 HZ3 LYS 27 18.853 -2.825 -4.171
253 H VAL 28 H VAL 28 12.963 -3.915 -3.773
254 HA VAL 28 HA VAL 28 14.748 -5.721 -2.190
255 HB VAL 28 HB VAL 28 12.909 -3.749 -0.880
256 HG11 VAL 28 HG11 VAL 28 15.581 -4.934 -0.083
257 HG12 VAL 28 HG12 VAL 28 14.012 -5.569 0.415
258 HG13 VAL 28 HG13 VAL 28 14.520 -3.964 0.939
259 HG21 VAL 28 HG21 VAL 28 15.708 -3.211 -1.915
260 HG22 VAL 28 HG22 VAL 28 14.861 -2.176 -0.767
261 HG23 VAL 28 HG23 VAL 28 14.231 -2.381 -2.402
262 H GLY 29 H GLY 29 11.391 -4.472 -2.216
263 HA2 GLY 29 HA2 GLY 29 10.471 -7.290 -1.777
264 HA3 GLY 29 HA3 GLY 29 9.713 -5.920 -0.964
265 HA PRO 30 HA PRO 30 7.664 -7.225 -5.147
266 HB2 PRO 30 HB2 PRO 30 5.203 -6.968 -3.646
267 HB3 PRO 30 HB3 PRO 30 5.850 -8.397 -4.463
268 HG2 PRO 30 HG2 PRO 30 5.874 -7.724 -1.651
269 HG3 PRO 30 HG3 PRO 30 6.275 -9.255 -2.442
270 HD2 PRO 30 HD2 PRO 30 8.118 -7.606 -1.193
271 HD3 PRO 30 HD3 PRO 30 8.523 -8.804 -2.440
272 H ASN 31 H ASN 31 6.482 -5.753 -6.442
273 HA ASN 31 HA ASN 31 6.223 -3.008 -5.282
274 HB2 ASN 31 HB2 ASN 31 6.661 -3.897 -8.144
275 HB3 ASN 31 HB3 ASN 31 6.548 -2.225 -7.599
276 HD21 ASN 31 HD21 ASN 31 8.032 -3.616 -5.052
277 HD22 ASN 31 HD22 ASN 31 9.658 -3.461 -5.514
278 H LEU 32 H LEU 32 4.139 -2.273 -5.100
279 HA LEU 32 HA LEU 32 2.000 -3.718 -6.553
280 HB2 LEU 32 HB2 LEU 32 1.801 -1.527 -4.472
281 HB3 LEU 32 HB3 LEU 32 0.466 -2.449 -5.127
282 HG LEU 32 HG LEU 32 0.789 -3.650 -3.199
283 HD11 LEU 32 HD11 LEU 32 1.293 -5.230 -5.049
284 HD12 LEU 32 HD12 LEU 32 2.137 -5.648 -3.559
285 HD13 LEU 32 HD13 LEU 32 3.009 -4.863 -4.867
286 HD21 LEU 32 HD21 LEU 32 3.183 -3.958 -2.268
287 HD22 LEU 32 HD22 LEU 32 2.431 -2.368 -2.130
288 HD23 LEU 32 HD23 LEU 32 3.626 -2.675 -3.393
289 H HIS 33 H HIS 33 0.548 -2.650 -7.915
290 HA HIS 33 HA HIS 33 0.688 0.178 -8.456
291 HB2 HIS 33 HB2 HIS 33 2.773 -0.508 -9.580
292 HB3 HIS 33 HB3 HIS 33 1.888 -1.724 -10.494
293 HD1 HIS 33 HD1 HIS 33 1.671 2.050 -9.911
294 HD2 HIS 33 HD2 HIS 33 1.031 -0.754 -12.933
295 HE1 HIS 33 HE1 HIS 33 1.020 3.361 -11.981
296 HE2 HIS 33 HE2 HIS 33 0.629 1.663 -13.825
297 H GLY 34 H GLY 34 -1.587 -0.062 -8.201
298 HA2 GLY 34 HA2 GLY 34 -3.639 -0.004 -9.479
299 HA3 GLY 34 HA3 GLY 34 -2.925 -1.141 -10.622
300 H ILE 35 H ILE 35 -2.196 -2.204 -7.523
301 HA ILE 35 HA ILE 35 -3.957 -4.473 -7.763
302 HB ILE 35 HB ILE 35 -3.055 -5.230 -5.698
303 HG12 ILE 35 HG12 ILE 35 -1.558 -3.264 -4.517
304 HG13 ILE 35 HG13 ILE 35 -2.931 -2.332 -5.105
305 HG21 ILE 35 HG21 ILE 35 -0.740 -5.117 -6.095
306 HG22 ILE 35 HG22 ILE 35 -0.835 -3.467 -6.710
307 HG23 ILE 35 HG23 ILE 35 -1.447 -4.806 -7.680
308 HD11 ILE 35 HD11 ILE 35 -4.481 -3.822 -3.942
309 HD12 ILE 35 HD12 ILE 35 -3.280 -3.227 -2.799
310 HD13 ILE 35 HD13 ILE 35 -3.147 -4.862 -3.445
311 H PHE 36 H PHE 36 -4.458 -1.306 -6.696
312 HA PHE 36 HA PHE 36 -6.218 -1.489 -4.544
313 HB2 PHE 36 HB2 PHE 36 -6.080 0.325 -6.931
314 HB3 PHE 36 HB3 PHE 36 -7.450 0.457 -5.828
315 HD1 PHE 36 HD1 PHE 36 -3.686 0.153 -5.685
316 HD2 PHE 36 HD2 PHE 36 -7.252 1.880 -4.014
317 HE1 PHE 36 HE1 PHE 36 -2.315 1.465 -4.090
318 HE2 PHE 36 HE2 PHE 36 -5.879 3.202 -2.431
319 HZ PHE 36 HZ PHE 36 -3.410 2.983 -2.461
320 H GLY 37 H GLY 37 -6.763 -2.433 -7.886
321 HA2 GLY 37 HA2 GLY 37 -9.580 -3.154 -7.175
322 HA3 GLY 37 HA3 GLY 37 -9.027 -2.830 -8.818
323 H ARG 38 H ARG 38 -7.205 -4.771 -6.496
324 HA ARG 38 HA ARG 38 -7.941 -7.219 -8.041
325 HB2 ARG 38 HB2 ARG 38 -5.150 -6.340 -7.257
326 HB3 ARG 38 HB3 ARG 38 -5.547 -7.927 -7.909
327 HG2 ARG 38 HG2 ARG 38 -6.288 -5.391 -9.368
328 HG3 ARG 38 HG3 ARG 38 -4.709 -6.148 -9.575
329 HD2 ARG 38 HD2 ARG 38 -5.952 -8.308 -10.118
330 HD3 ARG 38 HD3 ARG 38 -7.422 -7.338 -10.204
331 HE ARG 38 HE ARG 38 -5.281 -7.372 -12.182
332 HH11 ARG 38 HH21 ARG 38 -7.843 -5.601 -10.702
333 HH12 ARG 38 HH22 ARG 38 -8.111 -4.582 -12.078
334 HH21 ARG 38 HH11 ARG 38 -5.616 -6.051 -13.986
335 HH22 ARG 38 HH12 ARG 38 -6.850 -4.836 -13.936
336 H HIS 39 H HIS 39 -7.208 -9.235 -6.864
337 HA HIS 39 HA HIS 39 -7.959 -8.982 -4.028
338 HB2 HIS 39 HB2 HIS 39 -7.584 -11.289 -5.923
339 HB3 HIS 39 HB3 HIS 39 -7.693 -11.556 -4.188
340 HD1 HIS 39 HD1 HIS 39 -9.654 -9.327 -6.583
341 HD2 HIS 39 HD2 HIS 39 -10.321 -12.165 -3.609
342 HE1 HIS 39 HE1 HIS 39 -12.164 -9.563 -6.378
343 HE2 HIS 39 HE2 HIS 39 -12.585 -11.282 -4.557
344 H SER 40 H SER 40 -6.597 -9.692 -2.306
345 HA SER 40 HA SER 40 -3.858 -9.051 -2.539
346 HB2 SER 40 HB2 SER 40 -5.524 -10.467 -0.529
347 HB3 SER 40 HB3 SER 40 -3.792 -10.745 -0.442
348 HG SER 40 HG SER 40 -5.248 -8.553 0.216
349 H GLY 41 H GLY 41 -2.059 -10.239 -3.035
350 HA2 GLY 41 HA2 GLY 41 -0.875 -12.371 -3.277
351 HA3 GLY 41 HA3 GLY 41 -2.423 -13.140 -3.613
352 H GLN 42 H GLN 42 -2.881 -10.515 -5.317
353 HA GLN 42 HA GLN 42 -1.655 -11.708 -7.757
354 HB2 GLN 42 HB2 GLN 42 -3.910 -9.699 -7.452
355 HB3 GLN 42 HB3 GLN 42 -3.315 -10.335 -8.987
356 HG2 GLN 42 HG2 GLN 42 -3.895 -12.615 -8.296
357 HG3 GLN 42 HG3 GLN 42 -4.445 -12.014 -6.732
358 HE21 GLN 42 HE21 GLN 42 -6.244 -13.403 -8.457
359 HE22 GLN 42 HE22 GLN 42 -7.413 -12.308 -9.019
360 H ALA 43 H ALA 43 0.154 -10.748 -8.476
361 HA ALA 43 HA ALA 43 0.455 -7.803 -8.090
362 HB1 ALA 43 HB1 ALA 43 2.760 -9.744 -8.039
363 HB2 ALA 43 HB2 ALA 43 1.915 -9.267 -6.567
364 HB3 ALA 43 HB3 ALA 43 2.756 -8.054 -7.536
365 H GLU 44 H GLU 44 1.711 -6.757 -9.753
366 HA GLU 44 HA GLU 44 1.356 -7.995 -12.383
367 HB2 GLU 44 HB2 GLU 44 2.550 -5.332 -11.549
368 HB3 GLU 44 HB3 GLU 44 2.278 -5.829 -13.219
369 HG2 GLU 44 HG2 GLU 44 -0.142 -6.101 -12.724
370 HG3 GLU 44 HG3 GLU 44 0.149 -5.527 -11.082
371 H GLY 45 H GLY 45 4.026 -7.114 -10.239
372 HA2 GLY 45 HA2 GLY 45 5.950 -8.262 -12.182
373 HA3 GLY 45 HA3 GLY 45 6.378 -7.282 -10.779
374 H TYR 46 H TYR 46 5.843 -8.332 -8.600
375 HA TYR 46 HA TYR 46 6.351 -11.265 -8.787
376 HB2 TYR 46 HB2 TYR 46 8.313 -10.348 -7.849
377 HB3 TYR 46 HB3 TYR 46 7.401 -9.195 -6.873
378 HD1 TYR 46 HD2 TYR 46 7.069 -12.904 -7.392
379 HD2 TYR 46 HD1 TYR 46 7.692 -9.693 -4.603
380 HE1 TYR 46 HE2 TYR 46 7.015 -14.520 -5.516
381 HE2 TYR 46 HE1 TYR 46 7.633 -11.311 -2.730
382 HH TYR 46 HH TYR 46 7.474 -14.793 -3.312
383 H SER 47 H SER 47 4.912 -12.578 -7.907
384 HA SER 47 HA SER 47 2.530 -11.554 -6.659
385 HB2 SER 47 HB2 SER 47 1.868 -13.839 -6.447
386 HB3 SER 47 HB3 SER 47 2.795 -13.759 -7.943
387 HG SER 47 HG SER 47 3.864 -14.450 -5.402
388 H TYR 48 H TYR 48 1.896 -11.879 -4.459
389 HA TYR 48 HA TYR 48 3.874 -11.194 -2.535
390 HB2 TYR 48 HB2 TYR 48 1.106 -12.353 -2.166
391 HB3 TYR 48 HB3 TYR 48 2.093 -11.697 -0.870
392 HD1 TYR 48 HD1 TYR 48 0.521 -10.814 -4.137
393 HD2 TYR 48 HD2 TYR 48 2.180 -9.393 -0.442
394 HE1 TYR 48 HE1 TYR 48 -0.295 -8.530 -4.649
395 HE2 TYR 48 HE2 TYR 48 1.377 -7.112 -0.956
396 HH TYR 48 HH TYR 48 -0.567 -6.149 -2.399
397 H THR 49 H THR 49 3.743 -12.670 -0.351
398 HA THR 49 HA THR 49 5.301 -15.031 -0.973
399 HB THR 49 HB THR 49 4.057 -14.218 1.672
400 HG1 THR 49 HG1 THR 49 6.235 -13.307 0.222
401 HG21 THR 49 HG21 THR 49 6.369 -16.032 0.937
402 HG22 THR 49 HG22 THR 49 4.846 -16.513 1.684
403 HG23 THR 49 HG23 THR 49 5.994 -15.519 2.582
404 H ASP 50 H ASP 50 4.688 -17.230 -0.640
405 HA ASP 50 HA ASP 50 2.182 -18.046 -1.526
406 HB2 ASP 50 HB2 ASP 50 4.093 -19.439 0.366
407 HB3 ASP 50 HB3 ASP 50 2.699 -20.226 -0.370
408 H ALA 51 H ALA 51 3.166 -17.355 1.829
409 HA ALA 51 HA ALA 51 0.760 -18.312 3.058
410 HB1 ALA 51 HB1 ALA 51 1.536 -17.299 5.011
411 HB2 ALA 51 HB2 ALA 51 2.233 -15.932 4.143
412 HB3 ALA 51 HB3 ALA 51 3.038 -17.500 4.111
413 H ASN 52 H ASN 52 1.711 -14.972 2.212
414 HA ASN 52 HA ASN 52 -0.811 -13.769 2.751
415 HB2 ASN 52 HB2 ASN 52 1.139 -12.393 2.392
416 HB3 ASN 52 HB3 ASN 52 1.356 -13.039 0.770
417 HD21 ASN 52 HD21 ASN 52 1.161 -10.364 0.698
418 HD22 ASN 52 HD22 ASN 52 -0.391 -9.846 0.239
419 H ILE 53 H ILE 53 0.494 -15.225 -0.220
420 HA ILE 53 HA ILE 53 -1.710 -14.614 -1.910
421 HB ILE 53 HB ILE 53 0.193 -16.961 -1.981
422 HG12 ILE 53 HG12 ILE 53 0.170 -14.386 -3.580
423 HG13 ILE 53 HG13 ILE 53 1.159 -14.631 -2.142
424 HG21 ILE 53 HG21 ILE 53 -1.804 -17.476 -3.278
425 HG22 ILE 53 HG22 ILE 53 -0.489 -17.086 -4.385
426 HG23 ILE 53 HG23 ILE 53 -1.745 -15.893 -4.053
427 HD11 ILE 53 HD11 ILE 53 2.529 -16.198 -3.185
428 HD12 ILE 53 HD12 ILE 53 2.158 -15.129 -4.538
429 HD13 ILE 53 HD13 ILE 53 1.290 -16.653 -4.354
430 H LYS 54 H LYS 54 -1.192 -17.236 0.411
431 HA LYS 54 HA LYS 54 -3.352 -18.912 -0.323
432 HB2 LYS 54 HB2 LYS 54 -1.707 -19.474 1.453
433 HB3 LYS 54 HB3 LYS 54 -2.424 -18.234 2.478
434 HG2 LYS 54 HG2 LYS 54 -4.600 -19.403 2.359
435 HG3 LYS 54 HG3 LYS 54 -3.854 -20.669 1.383
436 HD2 LYS 54 HD2 LYS 54 -2.229 -21.068 3.258
437 HD3 LYS 54 HD3 LYS 54 -3.151 -19.926 4.235
438 HE2 LYS 54 HE2 LYS 54 -4.183 -21.898 4.868
439 HE3 LYS 54 HE3 LYS 54 -5.187 -21.468 3.483
440 HZ1 LYS 54 HZ1 LYS 54 -4.627 -23.629 3.016
441 HZ2 LYS 54 HZ2 LYS 54 -3.071 -23.500 3.685
442 HZ3 LYS 54 HZ3 LYS 54 -3.412 -22.797 2.177
443 H LYS 55 H LYS 55 -3.248 -16.001 1.683
444 HA LYS 55 HA LYS 55 -6.197 -15.985 1.927
445 HB2 LYS 55 HB2 LYS 55 -4.139 -13.998 2.946
446 HB3 LYS 55 HB3 LYS 55 -5.825 -14.097 3.425
447 HG2 LYS 55 HG2 LYS 55 -3.794 -16.301 3.855
448 HG3 LYS 55 HG3 LYS 55 -4.287 -15.145 5.090
449 HD2 LYS 55 HD2 LYS 55 -6.691 -15.928 4.637
450 HD3 LYS 55 HD3 LYS 55 -5.966 -17.274 3.758
451 HE2 LYS 55 HE2 LYS 55 -6.426 -17.871 6.119
452 HE3 LYS 55 HE3 LYS 55 -4.703 -17.934 5.750
453 HZ1 LYS 55 HZ1 LYS 55 -5.401 -15.329 6.560
454 HZ2 LYS 55 HZ2 LYS 55 -4.320 -16.415 7.292
455 HZ3 LYS 55 HZ3 LYS 55 -5.965 -16.433 7.717
456 H ASN 56 H ASN 56 -7.421 -14.799 0.491
457 HA ASN 56 HA ASN 56 -6.053 -12.616 -1.015
458 HB2 ASN 56 HB2 ASN 56 -6.965 -13.366 -3.092
459 HB3 ASN 56 HB3 ASN 56 -6.216 -14.766 -2.338
460 HD21 ASN 56 HD21 ASN 56 -8.433 -14.840 -4.291
461 HD22 ASN 56 HD22 ASN 56 -9.748 -15.569 -3.500
462 H VAL 57 H VAL 57 -7.197 -10.756 -0.988
463 HA VAL 57 HA VAL 57 -10.142 -10.873 -0.658
464 HB VAL 57 HB VAL 57 -8.279 -9.157 0.995
465 HG11 VAL 57 HG11 VAL 57 -10.948 -9.203 1.984
466 HG12 VAL 57 HG12 VAL 57 -11.033 -8.835 0.261
467 HG13 VAL 57 HG13 VAL 57 -10.059 -7.826 1.333
468 HG21 VAL 57 HG21 VAL 57 -9.669 -10.566 2.799
469 HG22 VAL 57 HG22 VAL 57 -8.171 -11.182 2.099
470 HG23 VAL 57 HG23 VAL 57 -9.728 -11.724 1.470
471 H LEU 58 H LEU 58 -11.218 -9.290 -1.821
472 HA LEU 58 HA LEU 58 -9.913 -7.920 -3.922
473 HB2 LEU 58 HB2 LEU 58 -12.338 -8.266 -3.907
474 HB3 LEU 58 HB3 LEU 58 -12.496 -7.190 -2.520
475 HG LEU 58 HG LEU 58 -11.533 -5.334 -3.887
476 HD11 LEU 58 HD11 LEU 58 -11.828 -6.095 -6.492
477 HD12 LEU 58 HD12 LEU 58 -11.198 -7.578 -5.782
478 HD13 LEU 58 HD13 LEU 58 -10.285 -6.078 -5.641
479 HD21 LEU 58 HD21 LEU 58 -13.957 -5.554 -3.748
480 HD22 LEU 58 HD22 LEU 58 -13.953 -6.760 -5.037
481 HD23 LEU 58 HD23 LEU 58 -13.520 -5.087 -5.392
482 H TRP 59 H TRP 59 -9.094 -5.832 -4.107
483 HA TRP 59 HA TRP 59 -8.535 -4.501 -1.520
484 HB2 TRP 59 HB2 TRP 59 -7.179 -4.544 -4.194
485 HB3 TRP 59 HB3 TRP 59 -6.899 -3.190 -3.100
486 HD1 TRP 59 HD1 TRP 59 -5.442 -6.379 -3.908
487 HE1 TRP 59 HE1 TRP 59 -4.065 -7.325 -1.946
488 HE3 TRP 59 HE3 TRP 59 -7.173 -3.436 -0.101
489 HZ2 TRP 59 HZ2 TRP 59 -3.752 -6.899 0.867
490 HZ3 TRP 59 HZ3 TRP 59 -6.333 -3.745 2.204
491 HH2 TRP 59 HH2 TRP 59 -4.625 -5.476 2.692
492 H ASP 60 H ASP 60 -8.992 -2.301 -1.219
493 HA ASP 60 HA ASP 60 -10.361 -0.806 -3.362
494 HB2 ASP 60 HB2 ASP 60 -12.100 -2.181 -2.081
495 HB3 ASP 60 HB3 ASP 60 -11.712 -1.186 -0.678
496 H GLU 61 H GLU 61 -10.641 1.516 -2.671
497 HA GLU 61 HA GLU 61 -8.299 2.537 -1.456
498 HB2 GLU 61 HB2 GLU 61 -11.037 3.827 -1.677
499 HB3 GLU 61 HB3 GLU 61 -9.543 4.682 -1.296
500 HG2 GLU 61 HG2 GLU 61 -9.723 4.989 -3.614
501 HG3 GLU 61 HG3 GLU 61 -8.642 3.604 -3.491
502 H ASN 62 H ASN 62 -11.473 1.801 -0.056
503 HA ASN 62 HA ASN 62 -10.747 2.801 2.580
504 HB2 ASN 62 HB2 ASN 62 -12.995 0.978 1.672
505 HB3 ASN 62 HB3 ASN 62 -12.842 1.645 3.298
506 HD21 ASN 62 HD21 ASN 62 -11.588 3.955 1.235
507 HD22 ASN 62 HD22 ASN 62 -12.986 4.899 1.002
508 H ASN 63 H ASN 63 -10.925 -0.421 1.061
509 HA ASN 63 HA ASN 63 -10.249 -1.911 3.403
510 HB2 ASN 63 HB2 ASN 63 -11.152 -2.824 1.207
511 HB3 ASN 63 HB3 ASN 63 -9.515 -2.668 0.568
512 HD21 ASN 63 HD21 ASN 63 -10.240 -5.227 0.535
513 HD22 ASN 63 HD22 ASN 63 -9.633 -6.108 1.860
514 H MET 64 H MET 64 -8.204 -0.530 0.836
515 HA MET 64 HA MET 64 -5.744 -1.584 1.803
516 HB2 MET 64 HB2 MET 64 -6.371 0.894 0.195
517 HB3 MET 64 HB3 MET 64 -4.730 0.367 0.537
518 HG2 MET 64 HG2 MET 64 -5.461 -1.914 -0.426
519 HG3 MET 64 HG3 MET 64 -6.847 -1.044 -1.079
520 HE1 MET 64 HE1 MET 64 -2.889 -0.088 -0.694
521 HE2 MET 64 HE2 MET 64 -2.459 -0.857 -2.219
522 HE3 MET 64 HE3 MET 64 -3.265 -1.797 -0.966
523 H SER 65 H SER 65 -7.570 1.308 2.719
524 HA SER 65 HA SER 65 -5.552 2.616 4.216
525 HB2 SER 65 HB2 SER 65 -7.355 3.711 5.412
526 HB3 SER 65 HB3 SER 65 -7.853 3.523 3.733
527 HG SER 65 HG SER 65 -8.984 2.548 5.964
528 H GLU 66 H GLU 66 -7.638 -0.120 5.047
529 HA GLU 66 HA GLU 66 -6.899 -0.244 7.823
530 HB2 GLU 66 HB2 GLU 66 -7.833 -2.423 5.927
531 HB3 GLU 66 HB3 GLU 66 -7.705 -2.604 7.677
532 HG2 GLU 66 HG2 GLU 66 -9.291 -0.714 7.969
533 HG3 GLU 66 HG3 GLU 66 -9.457 -0.606 6.216
534 H TYR 67 H TYR 67 -5.543 -1.663 4.865
535 HA TYR 67 HA TYR 67 -3.578 -3.297 6.166
536 HB2 TYR 67 HB2 TYR 67 -4.185 -3.542 3.773
537 HB3 TYR 67 HB3 TYR 67 -3.423 -1.988 3.434
538 HD1 TYR 67 HD1 TYR 67 -0.990 -1.698 3.643
539 HD2 TYR 67 HD2 TYR 67 -2.849 -5.520 4.276
540 HE1 TYR 67 HE1 TYR 67 1.223 -2.802 3.477
541 HE2 TYR 67 HE2 TYR 67 -0.633 -6.623 4.108
542 HH TYR 67 HH TYR 67 2.253 -4.816 3.190
543 H LEU 68 H LEU 68 -3.458 0.052 4.933
544 HA LEU 68 HA LEU 68 -0.734 0.562 5.365
545 HB2 LEU 68 HB2 LEU 68 -3.068 2.440 5.828
546 HB3 LEU 68 HB3 LEU 68 -1.390 2.928 5.619
547 HG LEU 68 HG LEU 68 -3.050 1.433 3.575
548 HD11 LEU 68 HD11 LEU 68 -2.147 3.849 2.518
549 HD12 LEU 68 HD12 LEU 68 -2.646 4.260 4.159
550 HD13 LEU 68 HD13 LEU 68 -3.788 3.498 3.054
551 HD21 LEU 68 HD21 LEU 68 -0.158 2.167 3.785
552 HD22 LEU 68 HD22 LEU 68 -0.922 2.271 2.199
553 HD23 LEU 68 HD23 LEU 68 -0.901 0.737 3.068
554 H THR 69 H THR 69 -3.382 0.445 7.716
555 HA THR 69 HA THR 69 -2.088 1.606 9.930
556 HB THR 69 HB THR 69 -3.850 -0.858 10.019
557 HG1 THR 69 HG1 THR 69 -4.541 1.140 8.781
558 HG21 THR 69 HG21 THR 69 -4.560 0.222 12.177
559 HG22 THR 69 HG22 THR 69 -3.259 1.389 11.950
560 HG23 THR 69 HG23 THR 69 -2.883 -0.322 12.157
561 H ASN 70 H ASN 70 -1.913 -1.722 8.696
562 HA ASN 70 HA ASN 70 0.708 -1.999 10.050
563 HB2 ASN 70 HB2 ASN 70 -1.255 -3.000 11.451
564 HB3 ASN 70 HB3 ASN 70 -1.246 -4.274 10.231
565 HD21 ASN 70 HD21 ASN 70 0.222 -5.950 10.598
566 HD22 ASN 70 HD22 ASN 70 1.581 -5.847 11.618
567 H HIS 71 H HIS 71 2.124 -3.263 8.857
568 HA HIS 71 HA HIS 71 1.532 -3.650 6.100
569 HB2 HIS 71 HB2 HIS 71 3.807 -3.970 7.839
570 HB3 HIS 71 HB3 HIS 71 3.693 -5.334 6.727
571 HD1 HIS 71 HD1 HIS 71 4.180 -1.612 6.818
572 HD2 HIS 71 HD2 HIS 71 3.989 -4.657 3.970
573 HE1 HIS 71 HE1 HIS 71 4.962 -0.600 4.628
574 H ALA 72 H ALA 72 1.032 -5.824 8.832
575 HA ALA 72 HA ALA 72 -0.235 -7.698 6.955
576 HB1 ALA 72 HB1 ALA 72 1.188 -9.613 7.661
577 HB2 ALA 72 HB2 ALA 72 2.225 -8.483 8.527
578 HB3 ALA 72 HB3 ALA 72 2.085 -8.382 6.772
579 H LYS 73 H LYS 73 -0.807 -6.151 9.586
580 HA LYS 73 HA LYS 73 -1.196 -8.097 11.654
581 HB2 LYS 73 HB2 LYS 73 -1.370 -5.647 12.044
582 HB3 LYS 73 HB3 LYS 73 -2.864 -5.622 11.108
583 HG2 LYS 73 HG2 LYS 73 -3.913 -7.162 12.698
584 HG3 LYS 73 HG3 LYS 73 -2.407 -7.276 13.608
585 HD2 LYS 73 HD2 LYS 73 -3.863 -5.682 14.724
586 HD3 LYS 73 HD3 LYS 73 -2.514 -4.805 14.002
587 HE2 LYS 73 HE2 LYS 73 -3.856 -3.705 12.535
588 HE3 LYS 73 HE3 LYS 73 -4.832 -5.137 12.210
589 HZ1 LYS 73 HZ1 LYS 73 -5.271 -4.338 14.859
590 HZ2 LYS 73 HZ2 LYS 73 -6.374 -4.362 13.568
591 HZ3 LYS 73 HZ3 LYS 73 -5.443 -2.972 13.866
592 H TYR 74 H TYR 74 -3.292 -6.998 9.006
593 HA TYR 74 HA TYR 74 -5.436 -8.846 9.769
594 HB2 TYR 74 HB2 TYR 74 -5.292 -6.519 8.248
595 HB3 TYR 74 HB3 TYR 74 -5.544 -7.784 7.046
596 HD1 TYR 74 HD2 TYR 74 -7.256 -9.723 8.114
597 HD2 TYR 74 HD1 TYR 74 -7.264 -5.505 8.925
598 HE1 TYR 74 HE2 TYR 74 -9.648 -9.852 8.757
599 HE2 TYR 74 HE1 TYR 74 -9.657 -5.634 9.569
600 HH TYR 74 HH TYR 74 -11.391 -6.975 9.934
601 H ILE 75 H ILE 75 -2.629 -8.877 7.729
602 HA ILE 75 HA ILE 75 -3.470 -11.544 6.652
603 HB ILE 75 HB ILE 75 -1.451 -9.813 5.250
604 HG12 ILE 75 HG12 ILE 75 -3.504 -8.400 5.662
605 HG13 ILE 75 HG13 ILE 75 -3.170 -8.707 3.961
606 HG21 ILE 75 HG21 ILE 75 -1.714 -12.084 4.462
607 HG22 ILE 75 HG22 ILE 75 -2.447 -11.003 3.276
608 HG23 ILE 75 HG23 ILE 75 -3.468 -11.904 4.396
609 HD11 ILE 75 HD11 ILE 75 -5.098 -10.358 5.613
610 HD12 ILE 75 HD12 ILE 75 -4.845 -10.449 3.871
611 HD13 ILE 75 HD13 ILE 75 -5.585 -9.015 4.582
612 HA PRO 76 HA PRO 76 0.209 -12.007 9.503
613 HB2 PRO 76 HB2 PRO 76 -0.920 -14.767 9.442
614 HB3 PRO 76 HB3 PRO 76 -0.358 -13.810 10.826
615 HG2 PRO 76 HG2 PRO 76 -2.960 -14.206 10.323
616 HG3 PRO 76 HG3 PRO 76 -2.348 -12.711 11.047
617 HD2 PRO 76 HD2 PRO 76 -3.365 -13.180 8.291
618 HD3 PRO 76 HD3 PRO 76 -3.349 -11.685 9.250
619 H GLY 77 H GLY 77 -0.951 -14.014 6.815
620 HA2 GLY 77 HA2 GLY 77 1.471 -15.424 6.318
621 HA3 GLY 77 HA3 GLY 77 0.262 -15.048 5.085
622 H THR 78 H THR 78 0.462 -12.148 5.681
623 HA THR 78 HA THR 78 2.633 -11.547 3.844
624 HB THR 78 HB THR 78 0.824 -9.688 5.403
625 HG1 THR 78 HG1 THR 78 0.641 -10.597 2.732
626 HG21 THR 78 HG21 THR 78 1.879 -8.838 2.800
627 HG22 THR 78 HG22 THR 78 3.125 -9.042 4.028
628 HG23 THR 78 HG23 THR 78 1.778 -7.944 4.315
629 H LYS 79 H LYS 79 4.567 -10.545 4.293
630 HA LYS 79 HA LYS 79 5.620 -10.872 6.985
631 HB2 LYS 79 HB2 LYS 79 6.880 -9.499 4.598
632 HB3 LYS 79 HB3 LYS 79 7.718 -10.123 6.018
633 HG2 LYS 79 HG2 LYS 79 6.938 -12.408 5.456
634 HG3 LYS 79 HG3 LYS 79 6.158 -11.771 4.007
635 HD2 LYS 79 HD2 LYS 79 8.440 -10.856 3.334
636 HD3 LYS 79 HD3 LYS 79 9.115 -11.833 4.639
637 HE2 LYS 79 HE2 LYS 79 7.710 -13.761 3.514
638 HE3 LYS 79 HE3 LYS 79 7.799 -12.719 2.094
639 HZ1 LYS 79 HZ1 LYS 79 9.955 -13.158 1.821
640 HZ2 LYS 79 HZ2 LYS 79 9.702 -14.478 2.861
641 HZ3 LYS 79 HZ3 LYS 79 10.305 -13.013 3.475
642 H MET 80 H MET 80 7.012 -8.947 7.842
643 HA MET 80 HA MET 80 5.543 -6.368 7.537
644 HB2 MET 80 HB2 MET 80 4.774 -7.565 9.598
645 HB3 MET 80 HB3 MET 80 6.439 -7.557 10.180
646 HG2 MET 80 HG2 MET 80 6.434 -5.057 9.993
647 HG3 MET 80 HG3 MET 80 4.723 -5.133 9.573
648 HE1 MET 80 HE1 MET 80 6.829 -7.260 12.412
649 HE2 MET 80 HE2 MET 80 6.815 -5.895 13.525
650 HE3 MET 80 HE3 MET 80 7.487 -5.696 11.910
651 H ALA 81 H ALA 81 6.889 -4.490 7.893
652 HA ALA 81 HA ALA 81 9.580 -4.643 8.853
653 HB1 ALA 81 HB1 ALA 81 9.165 -4.980 5.891
654 HB2 ALA 81 HB2 ALA 81 10.250 -5.864 6.964
655 HB3 ALA 81 HB3 ALA 81 10.623 -4.202 6.507
656 H PHE 82 H PHE 82 7.106 -2.873 8.702
657 HA PHE 82 HA PHE 82 8.426 -0.399 7.653
658 HB2 PHE 82 HB2 PHE 82 6.196 -0.967 6.670
659 HB3 PHE 82 HB3 PHE 82 5.489 -0.816 8.280
660 HD1 PHE 82 HD1 PHE 82 7.382 1.026 5.653
661 HD2 PHE 82 HD2 PHE 82 5.003 1.305 9.214
662 HE1 PHE 82 HE1 PHE 82 7.260 3.487 5.376
663 HE2 PHE 82 HE2 PHE 82 4.885 3.766 8.942
664 HZ PHE 82 HZ PHE 82 6.008 4.859 7.021
665 H GLY 83 H GLY 83 8.515 1.449 9.017
666 HA2 GLY 83 HA2 GLY 83 8.990 0.992 11.768
667 HA3 GLY 83 HA3 GLY 83 8.708 2.582 11.062
668 H GLY 84 H GLY 84 6.079 2.464 10.251
669 HA2 GLY 84 HA2 GLY 84 4.068 1.284 11.631
670 HA3 GLY 84 HA3 GLY 84 4.697 2.383 12.856
671 H LEU 85 H LEU 85 2.940 2.160 9.851
672 HA LEU 85 HA LEU 85 2.729 5.060 9.474
673 HB2 LEU 85 HB2 LEU 85 2.524 3.004 7.752
674 HB3 LEU 85 HB3 LEU 85 0.822 3.162 8.180
675 HG LEU 85 HG LEU 85 0.944 5.589 7.608
676 HD11 LEU 85 HD11 LEU 85 3.059 6.422 7.669
677 HD12 LEU 85 HD12 LEU 85 3.136 5.852 6.001
678 HD13 LEU 85 HD13 LEU 85 3.775 4.858 7.304
679 HD21 LEU 85 HD21 LEU 85 0.826 3.380 5.904
680 HD22 LEU 85 HD22 LEU 85 1.963 4.473 5.117
681 HD23 LEU 85 HD23 LEU 85 0.336 5.026 5.507
682 H LYS 86 H LYS 86 1.829 3.754 12.027
683 HA LYS 86 HA LYS 86 -0.968 3.600 12.257
684 HB2 LYS 86 HB2 LYS 86 1.061 4.658 14.247
685 HB3 LYS 86 HB3 LYS 86 -0.600 4.224 14.642
686 HG2 LYS 86 HG2 LYS 86 -0.162 1.916 13.802
687 HG3 LYS 86 HG3 LYS 86 1.524 2.366 13.542
688 HD2 LYS 86 HD2 LYS 86 1.690 2.960 15.967
689 HD3 LYS 86 HD3 LYS 86 0.048 2.353 16.190
690 HE2 LYS 86 HE2 LYS 86 0.933 0.304 16.495
691 HE3 LYS 86 HE3 LYS 86 1.396 0.322 14.792
692 HZ1 LYS 86 HZ1 LYS 86 3.098 0.229 16.921
693 HZ2 LYS 86 HZ2 LYS 86 3.176 1.852 16.422
694 HZ3 LYS 86 HZ3 LYS 86 3.521 0.604 15.322
695 H LYS 87 H LYS 87 1.111 6.432 12.017
696 HA LYS 87 HA LYS 87 -0.698 8.403 12.957
697 HB2 LYS 87 HB2 LYS 87 1.355 8.575 10.729
698 HB3 LYS 87 HB3 LYS 87 0.546 9.967 11.452
699 HG2 LYS 87 HG2 LYS 87 1.433 9.268 13.683
700 HG3 LYS 87 HG3 LYS 87 2.334 7.979 12.882
701 HD2 LYS 87 HD2 LYS 87 3.474 9.698 11.476
702 HD3 LYS 87 HD3 LYS 87 2.640 10.956 12.390
703 HE2 LYS 87 HE2 LYS 87 4.900 10.594 13.292
704 HE3 LYS 87 HE3 LYS 87 3.680 10.125 14.475
705 HZ1 LYS 87 HZ1 LYS 87 5.725 8.563 13.489
706 HZ2 LYS 87 HZ2 LYS 87 4.312 7.952 12.769
707 HZ3 LYS 87 HZ3 LYS 87 4.432 8.055 14.460
708 H GLU 88 H GLU 88 -2.659 8.978 12.196
709 HA GLU 88 HA GLU 88 -3.824 7.809 9.864
710 HB2 GLU 88 HB2 GLU 88 -4.652 10.252 11.440
711 HB3 GLU 88 HB3 GLU 88 -5.658 9.443 10.240
712 HG2 GLU 88 HG2 GLU 88 -5.510 7.345 11.568
713 HG3 GLU 88 HG3 GLU 88 -4.576 8.209 12.791
714 H LYS 89 H LYS 89 -2.159 10.871 10.400
715 HA LYS 89 HA LYS 89 -2.922 12.201 8.022
716 HB2 LYS 89 HB2 LYS 89 -0.319 12.306 9.567
717 HB3 LYS 89 HB3 LYS 89 -0.773 13.446 8.304
718 HG2 LYS 89 HG2 LYS 89 -2.831 14.010 9.604
719 HG3 LYS 89 HG3 LYS 89 -2.260 12.954 10.898
720 HD2 LYS 89 HD2 LYS 89 -0.178 14.326 11.044
721 HD3 LYS 89 HD3 LYS 89 -0.853 15.423 9.840
722 HE2 LYS 89 HE2 LYS 89 -2.311 14.757 12.401
723 HE3 LYS 89 HE3 LYS 89 -1.175 16.100 12.289
724 HZ1 LYS 89 HZ1 LYS 89 -3.724 16.397 11.769
725 HZ2 LYS 89 HZ2 LYS 89 -3.233 15.884 10.224
726 HZ3 LYS 89 HZ3 LYS 89 -2.538 17.268 10.924
727 H ASP 90 H ASP 90 -0.176 9.984 8.590
728 HA ASP 90 HA ASP 90 0.849 10.182 5.917
729 HB2 ASP 90 HB2 ASP 90 1.090 7.942 7.949
730 HB3 ASP 90 HB3 ASP 90 2.044 8.079 6.473
731 H ARG 91 H ARG 91 -1.240 7.733 7.476
732 HA ARG 91 HA ARG 91 -1.620 6.120 5.170
733 HB2 ARG 91 HB2 ARG 91 -3.572 6.637 7.430
734 HB3 ARG 91 HB3 ARG 91 -3.623 5.272 6.315
735 HG2 ARG 91 HG2 ARG 91 -1.304 4.654 7.097
736 HG3 ARG 91 HG3 ARG 91 -1.458 5.899 8.337
737 HD2 ARG 91 HD2 ARG 91 -3.197 3.443 7.991
738 HD3 ARG 91 HD3 ARG 91 -2.111 3.801 9.332
739 HE ARG 91 HE ARG 91 -4.083 5.884 9.052
740 HH11 ARG 91 HH21 ARG 91 -3.538 2.645 10.102
741 HH12 ARG 91 HH22 ARG 91 -4.818 2.669 11.270
742 HH21 ARG 91 HH11 ARG 91 -5.760 5.928 10.566
743 HH22 ARG 91 HH12 ARG 91 -6.074 4.527 11.533
744 H ASN 92 H ASN 92 -3.512 8.911 6.333
745 HA ASN 92 HA ASN 92 -5.491 8.757 4.265
746 HB2 ASN 92 HB2 ASN 92 -4.538 11.094 5.938
747 HB3 ASN 92 HB3 ASN 92 -5.947 11.138 4.885
748 HD21 ASN 92 HD21 ASN 92 -6.473 11.581 7.545
749 HD22 ASN 92 HD22 ASN 92 -7.200 10.221 8.255
750 H ASP 93 H ASP 93 -2.489 10.649 4.536
751 HA ASP 93 HA ASP 93 -2.796 12.023 2.044
752 HB2 ASP 93 HB2 ASP 93 -0.301 11.306 3.610
753 HB3 ASP 93 HB3 ASP 93 -0.332 12.416 2.240
754 H LEU 94 H LEU 94 -1.202 8.966 2.884
755 HA LEU 94 HA LEU 94 0.024 8.406 0.406
756 HB2 LEU 94 HB2 LEU 94 -0.856 6.867 2.745
757 HB3 LEU 94 HB3 LEU 94 -0.869 5.938 1.247
758 HG LEU 94 HG LEU 94 1.505 7.640 1.953
759 HD11 LEU 94 HD11 LEU 94 1.344 6.316 3.909
760 HD12 LEU 94 HD12 LEU 94 2.437 5.405 2.868
761 HD13 LEU 94 HD13 LEU 94 0.746 4.919 3.013
762 HD21 LEU 94 HD21 LEU 94 0.970 6.400 -0.314
763 HD22 LEU 94 HD22 LEU 94 1.505 4.973 0.573
764 HD23 LEU 94 HD23 LEU 94 2.602 6.339 0.355
765 H ILE 95 H ILE 95 -3.071 7.044 1.500
766 HA ILE 95 HA ILE 95 -3.864 5.977 -0.951
767 HB ILE 95 HB ILE 95 -5.660 7.181 1.161
768 HG12 ILE 95 HG12 ILE 95 -4.322 4.464 0.923
769 HG13 ILE 95 HG13 ILE 95 -4.030 5.675 2.167
770 HG21 ILE 95 HG21 ILE 95 -7.361 6.258 0.005
771 HG22 ILE 95 HG22 ILE 95 -6.501 4.725 -0.134
772 HG23 ILE 95 HG23 ILE 95 -6.225 6.002 -1.319
773 HD11 ILE 95 HD11 ILE 95 -5.669 4.745 3.395
774 HD12 ILE 95 HD12 ILE 95 -6.097 3.657 2.075
775 HD13 ILE 95 HD13 ILE 95 -6.822 5.262 2.166
776 H THR 96 H THR 96 -4.217 9.283 0.249
777 HA THR 96 HA THR 96 -5.970 10.271 -1.729
778 HB THR 96 HB THR 96 -3.595 11.776 -0.603
779 HG1 THR 96 HG1 THR 96 -4.583 11.829 1.256
780 HG21 THR 96 HG21 THR 96 -5.116 12.737 -2.432
781 HG22 THR 96 HG22 THR 96 -4.910 13.710 -0.975
782 HG23 THR 96 HG23 THR 96 -6.379 12.761 -1.202
783 H TYR 97 H TYR 97 -2.468 9.725 -1.779
784 HA TYR 97 HA TYR 97 -2.217 10.772 -4.504
785 HB2 TYR 97 HB2 TYR 97 -0.340 11.087 -3.009
786 HB3 TYR 97 HB3 TYR 97 -0.267 9.356 -2.673
787 HD1 TYR 97 HD2 TYR 97 0.239 11.944 -5.288
788 HD2 TYR 97 HD1 TYR 97 0.752 7.824 -4.196
789 HE1 TYR 97 HE2 TYR 97 1.714 11.606 -7.253
790 HE2 TYR 97 HE1 TYR 97 2.224 7.483 -6.157
791 HH TYR 97 HH TYR 97 2.646 8.500 -8.337
792 H LEU 98 H LEU 98 -1.913 7.571 -2.941
793 HA LEU 98 HA LEU 98 -1.404 6.054 -5.267
794 HB2 LEU 98 HB2 LEU 98 -3.141 5.200 -2.937
795 HB3 LEU 98 HB3 LEU 98 -2.277 4.141 -4.046
796 HG LEU 98 HG LEU 98 -0.881 6.181 -2.293
797 HD11 LEU 98 HD11 LEU 98 -2.125 4.407 -0.984
798 HD12 LEU 98 HD12 LEU 98 -0.376 4.382 -0.762
799 HD13 LEU 98 HD13 LEU 98 -1.147 3.199 -1.818
800 HD21 LEU 98 HD21 LEU 98 -0.017 3.878 -4.041
801 HD22 LEU 98 HD22 LEU 98 1.025 4.535 -2.781
802 HD23 LEU 98 HD23 LEU 98 0.503 5.561 -4.115
803 H LYS 99 H LYS 99 -4.535 6.898 -3.795
804 HA LYS 99 HA LYS 99 -6.167 5.634 -5.756
805 HB2 LYS 99 HB2 LYS 99 -7.031 6.423 -3.591
806 HB3 LYS 99 HB3 LYS 99 -6.747 8.084 -4.086
807 HG2 LYS 99 HG2 LYS 99 -8.305 7.728 -6.017
808 HG3 LYS 99 HG3 LYS 99 -8.654 6.120 -5.380
809 HD2 LYS 99 HD2 LYS 99 -9.369 7.203 -3.225
810 HD3 LYS 99 HD3 LYS 99 -9.178 8.771 -4.010
811 HE2 LYS 99 HE2 LYS 99 -11.361 8.492 -4.592
812 HE3 LYS 99 HE3 LYS 99 -10.705 7.445 -5.851
813 HZ1 LYS 99 HZ1 LYS 99 -11.112 5.545 -4.577
814 HZ2 LYS 99 HZ2 LYS 99 -12.514 6.487 -4.388
815 HZ3 LYS 99 HZ3 LYS 99 -11.352 6.429 -3.150
816 H LYS 100 H LYS 100 -4.772 8.887 -5.592
817 HA LYS 100 HA LYS 100 -6.061 9.992 -7.877
818 HB2 LYS 100 HB2 LYS 100 -4.601 11.210 -6.190
819 HB3 LYS 100 HB3 LYS 100 -3.207 10.538 -7.028
820 HG2 LYS 100 HG2 LYS 100 -3.992 11.574 -9.141
821 HG3 LYS 100 HG3 LYS 100 -5.341 12.300 -8.265
822 HD2 LYS 100 HD2 LYS 100 -3.680 13.432 -6.762
823 HD3 LYS 100 HD3 LYS 100 -2.391 12.815 -7.798
824 HE2 LYS 100 HE2 LYS 100 -2.707 14.510 -9.241
825 HE3 LYS 100 HE3 LYS 100 -4.394 14.041 -9.449
826 HZ1 LYS 100 HZ1 LYS 100 -5.090 15.619 -8.043
827 HZ2 LYS 100 HZ2 LYS 100 -3.580 16.342 -8.336
828 HZ3 LYS 100 HZ3 LYS 100 -3.810 15.378 -6.956
829 H ALA 101 H ALA 101 -3.056 8.161 -7.547
830 HA ALA 101 HA ALA 101 -2.398 8.219 -10.363
831 HB1 ALA 101 HB1 ALA 101 -0.873 6.292 -9.736
832 HB2 ALA 101 HB2 ALA 101 -1.520 6.401 -8.100
833 HB3 ALA 101 HB3 ALA 101 -0.626 7.757 -8.787
834 H THR 102 H THR 102 -3.888 5.785 -8.230
835 HA THR 102 HA THR 102 -4.411 3.858 -10.276
836 HB THR 102 HB THR 102 -6.062 4.384 -7.783
837 HG1 THR 102 HG1 THR 102 -3.518 3.659 -8.047
838 HG21 THR 102 HG21 THR 102 -6.857 2.185 -8.018
839 HG22 THR 102 HG22 THR 102 -5.549 1.732 -9.112
840 HG23 THR 102 HG23 THR 102 -6.848 2.783 -9.677
841 H GLU 103 H GLU 103 -6.048 6.779 -9.228
842 HA GLU 103 HA GLU 103 -8.551 6.343 -10.551
843 HB2 GLU 103 HB2 GLU 103 -8.119 8.164 -8.892
844 HB3 GLU 103 HB3 GLU 103 -7.133 8.986 -10.101
845 HG2 GLU 103 HG2 GLU 103 -9.345 9.951 -10.188
846 HG3 GLU 103 HG3 GLU 103 -9.140 8.959 -11.633
847 HHA HEC 104 HA HEC 104 2.567 -6.149 1.103
848 HHB HEC 104 HB HEC 104 1.418 0.090 1.120
849 HHC HEC 104 HC HEC 104 7.489 1.192 2.497
850 HHD HEC 104 HD HEC 104 8.656 -5.009 2.319
851 HMA1 HEC 104 1HMA HEC 104 -0.330 -1.570 -0.545
852 HMA2 HEC 104 2HMA HEC 104 -0.546 -0.976 1.102
853 HMA3 HEC 104 3HMA HEC 104 -1.223 -2.530 0.636
854 HAA1 HEC 104 1HAA HEC 104 0.424 -5.842 1.268
855 HAA2 HEC 104 2HAA HEC 104 -0.776 -4.605 1.569
856 HBA1 HEC 104 1HBA HEC 104 0.262 -5.157 -1.208
857 HBA2 HEC 104 2HBA HEC 104 -1.201 -4.298 -0.746
858 HMB1 HEC 104 1HMB HEC 104 2.878 3.512 1.673
859 HMB2 HEC 104 2HMB HEC 104 1.794 2.339 0.926
860 HMB3 HEC 104 3HMB HEC 104 1.964 2.391 2.681
861 HAB HEC 104 HAB HEC 104 6.594 3.063 2.008
862 HBB1 HEC 104 1HBB HEC 104 4.188 3.525 3.551
863 HBB2 HEC 104 2HBB HEC 104 4.670 4.968 2.657
864 HBB3 HEC 104 3HBB HEC 104 5.803 4.200 3.770
865 HMC1 HEC 104 1HMC HEC 104 9.856 0.844 2.471
866 HMC2 HEC 104 2HMC HEC 104 9.451 0.363 4.121
867 HMC3 HEC 104 3HMC HEC 104 10.814 -0.388 3.291
868 HAC HEC 104 HAC HEC 104 10.498 -3.923 2.011
869 HBC1 HEC 104 1HBC HEC 104 12.225 -2.366 3.640
870 HBC2 HEC 104 2HBC HEC 104 10.704 -2.532 4.517
871 HBC3 HEC 104 3HBC HEC 104 11.578 -3.969 3.987
872 HMD1 HEC 104 1HMD HEC 104 6.990 -8.342 2.651
873 HMD2 HEC 104 2HMD HEC 104 8.055 -7.030 3.119
874 HMD3 HEC 104 3HMD HEC 104 8.137 -7.690 1.487
875 HAD1 HEC 104 1HAD HEC 104 3.841 -7.861 0.373
876 HAD2 HEC 104 2HAD HEC 104 3.990 -8.418 2.023
877 HBD1 HEC 104 1HBD HEC 104 5.763 -9.761 1.542
878 HBD2 HEC 104 2HBD HEC 104 6.432 -8.635 0.358
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