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 |
|
|
20952 |
2gs0   |
6225 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HT1 PRO 1 HT2 PRO 1 -14.235 -5.730 11.129
2 HT2 PRO 1 HT1 PRO 1 -13.422 -5.013 12.446
3 HA PRO 1 HA PRO 1 -13.412 -4.319 9.763
4 1HB PRO 1 2HB PRO 1 -13.802 -1.763 10.793
5 2HB PRO 1 1HB PRO 1 -14.941 -2.659 9.783
6 1HG PRO 1 2HG PRO 1 -14.895 -2.320 12.741
7 2HG PRO 1 1HG PRO 1 -16.281 -2.464 11.649
8 1HD PRO 1 2HD PRO 1 -15.458 -4.503 13.240
9 2HD PRO 1 1HD PRO 1 -16.201 -4.777 11.651
10 H SER 2 H SER 2 -11.638 -5.391 11.640
11 HA SER 2 HA SER 2 -9.578 -3.318 11.647
12 1HB SER 2 2HB SER 2 -10.287 -4.967 14.086
13 2HB SER 2 1HB SER 2 -8.895 -3.892 13.952
14 HG SER 2 HG SER 2 -10.572 -2.799 14.961
15 H HIS 3 H HIS 3 -7.711 -4.073 10.886
16 HA HIS 3 HA HIS 3 -6.086 -5.486 10.163
17 1HB HIS 3 2HB HIS 3 -7.185 -7.440 12.191
18 2HB HIS 3 1HB HIS 3 -5.565 -7.424 11.500
19 HD1 HIS 3 HD1 HIS 3 -7.750 -5.522 13.902
20 HD2 HIS 3 HD2 HIS 3 -3.770 -5.717 12.725
21 HE1 HIS 3 HE1 HIS 3 -6.496 -4.081 15.534
22 HE2 HIS 3 HE2 HIS 3 -4.098 -4.158 14.763
23 H SER 4 H SER 4 -8.624 -5.448 8.876
24 HA SER 4 HA SER 4 -8.310 -7.452 7.002
25 1HB SER 4 2HB SER 4 -10.312 -8.873 7.444
26 2HB SER 4 1HB SER 4 -9.025 -9.075 8.638
27 HG SER 4 HG SER 4 -10.185 -7.787 10.064
28 H GLY 5 H GLY 5 -9.293 -6.786 5.215
29 1HA GLY 5 2HA GLY 5 -11.905 -5.602 5.255
30 2HA GLY 5 1HA GLY 5 -10.636 -4.425 4.951
31 H ALA 6 H ALA 6 -12.781 -6.494 3.570
32 HA ALA 6 HA ALA 6 -11.626 -7.741 1.473
33 1HB ALA 6 1HB ALA 6 -13.729 -7.295 0.206
34 2HB ALA 6 2HB ALA 6 -14.214 -6.236 1.532
35 3HB ALA 6 3HB ALA 6 -13.943 -7.955 1.828
36 H ALA 7 H ALA 7 -9.923 -6.926 0.435
37 HA ALA 7 HA ALA 7 -10.233 -4.314 -0.908
38 1HB ALA 7 1HB ALA 7 -8.402 -4.750 0.920
39 2HB ALA 7 2HB ALA 7 -8.017 -3.828 -0.534
40 3HB ALA 7 3HB ALA 7 -7.554 -5.526 -0.419
41 H ILE 8 H ILE 8 -9.300 -4.067 -3.022
42 HA ILE 8 HA ILE 8 -9.251 -6.592 -4.516
43 HB ILE 8 HB ILE 8 -9.990 -3.807 -5.274
44 1HG1 ILE 8 2HG1 ILE 8 -11.401 -5.832 -6.675
45 2HG1 ILE 8 1HG1 ILE 8 -11.239 -6.360 -5.003
46 1HG2 ILE 8 1HG2 ILE 8 -8.642 -3.902 -7.075
47 2HG2 ILE 8 2HG2 ILE 8 -9.950 -4.897 -7.712
48 3HG2 ILE 8 3HG2 ILE 8 -8.515 -5.658 -7.030
49 1HD1 ILE 8 1HD1 ILE 8 -12.345 -3.720 -5.884
50 2HD1 ILE 8 2HD1 ILE 8 -12.243 -4.324 -4.229
51 3HD1 ILE 8 3HD1 ILE 8 -13.292 -5.126 -5.397
52 H PHE 9 H PHE 9 -7.439 -7.339 -5.321
53 HA PHE 9 HA PHE 9 -5.116 -5.512 -5.423
54 1HB PHE 9 2HB PHE 9 -5.021 -7.437 -3.773
55 2HB PHE 9 1HB PHE 9 -4.961 -8.510 -5.166
56 HD1 PHE 9 HD1 PHE 9 -2.856 -9.347 -5.500
57 HD2 PHE 9 HD2 PHE 9 -3.293 -5.290 -4.287
58 HE1 PHE 9 HE1 PHE 9 -0.417 -9.049 -5.628
59 HE2 PHE 9 HE2 PHE 9 -0.854 -4.984 -4.415
60 HZ PHE 9 HZ PHE 9 0.587 -6.866 -5.086
61 H GLU 10 H GLU 10 -4.110 -5.201 -7.305
62 HA GLU 10 HA GLU 10 -3.685 -5.269 -9.542
63 1HB GLU 10 2HB GLU 10 -4.104 -8.239 -9.214
64 2HB GLU 10 1HB GLU 10 -3.218 -7.444 -10.509
65 1HG GLU 10 2HG GLU 10 -1.600 -6.613 -8.844
66 2HG GLU 10 1HG GLU 10 -2.464 -7.511 -7.597
67 H LYS 11 H LYS 11 -6.402 -4.807 -8.749
68 HA LYS 11 HA LYS 11 -8.372 -4.430 -9.840
69 1HB LYS 11 2HB LYS 11 -7.388 -6.126 -12.134
70 2HB LYS 11 1HB LYS 11 -8.652 -4.905 -12.158
71 1HG LYS 11 2HG LYS 11 -6.938 -3.180 -11.699
72 2HG LYS 11 1HG LYS 11 -5.699 -4.432 -11.820
73 1HD LYS 11 2HD LYS 11 -6.483 -4.912 -14.126
74 2HD LYS 11 1HD LYS 11 -7.606 -3.559 -13.988
75 1HE LYS 11 2HE LYS 11 -4.755 -3.033 -13.371
76 2HE LYS 11 1HE LYS 11 -5.178 -3.310 -15.059
77 1HZ LYS 11 1HZ LYS 11 -6.875 -1.458 -13.594
78 2HZ LYS 11 2HZ LYS 11 -6.312 -1.382 -15.187
79 3HZ LYS 11 3HZ LYS 11 -5.299 -0.931 -13.910
80 H VAL 12 H VAL 12 -7.208 -7.236 -8.694
81 HA VAL 12 HA VAL 12 -9.588 -8.809 -9.330
82 HB VAL 12 HB VAL 12 -6.937 -9.582 -8.114
83 1HG1 VAL 12 1HG1 VAL 12 -9.452 -11.239 -8.324
84 2HG1 VAL 12 2HG1 VAL 12 -8.608 -10.777 -6.846
85 3HG1 VAL 12 3HG1 VAL 12 -7.849 -11.892 -7.983
86 1HG2 VAL 12 1HG2 VAL 12 -6.902 -9.459 -10.486
87 2HG2 VAL 12 2HG2 VAL 12 -8.436 -10.331 -10.599
88 3HG2 VAL 12 3HG2 VAL 12 -6.984 -11.170 -10.047
89 H SER 13 H SER 13 -10.706 -9.855 -7.598
90 HA SER 13 HA SER 13 -10.793 -8.076 -5.275
91 1HB SER 13 2HB SER 13 -13.011 -8.928 -4.860
92 2HB SER 13 1HB SER 13 -12.865 -8.405 -6.536
93 HG SER 13 HG SER 13 -13.799 -10.357 -6.701
94 H GLY 14 H GLY 14 -10.905 -8.790 -3.186
95 1HA GLY 14 2HA GLY 14 -10.826 -11.398 -2.228
96 2HA GLY 14 1HA GLY 14 -9.159 -10.897 -2.491
97 H ILE 15 H ILE 15 -9.527 -11.369 0.045
98 HA ILE 15 HA ILE 15 -10.290 -8.806 1.241
99 HB ILE 15 HB ILE 15 -10.110 -11.521 2.545
100 1HG1 ILE 15 2HG1 ILE 15 -12.357 -11.635 2.382
101 2HG1 ILE 15 1HG1 ILE 15 -12.551 -9.977 2.928
102 1HG2 ILE 15 1HG2 ILE 15 -10.845 -10.380 4.616
103 2HG2 ILE 15 2HG2 ILE 15 -10.644 -8.829 3.802
104 3HG2 ILE 15 3HG2 ILE 15 -9.238 -9.864 4.095
105 1HD1 ILE 15 1HD1 ILE 15 -13.548 -10.185 0.787
106 2HD1 ILE 15 2HD1 ILE 15 -12.093 -10.921 0.116
107 3HD1 ILE 15 3HD1 ILE 15 -12.080 -9.229 0.610
108 H ILE 16 H ILE 16 -8.956 -7.701 2.546
109 HA ILE 16 HA ILE 16 -6.146 -8.544 2.451
110 HB ILE 16 HB ILE 16 -7.456 -6.030 1.947
111 1HG1 ILE 16 2HG1 ILE 16 -4.523 -6.750 1.912
112 2HG1 ILE 16 1HG1 ILE 16 -5.653 -7.042 0.595
113 1HG2 ILE 16 1HG2 ILE 16 -7.131 -5.446 4.240
114 2HG2 ILE 16 2HG2 ILE 16 -6.013 -4.528 3.235
115 3HG2 ILE 16 3HG2 ILE 16 -5.432 -5.914 4.162
116 1HD1 ILE 16 1HD1 ILE 16 -5.667 -4.880 -0.054
117 2HD1 ILE 16 2HD1 ILE 16 -4.075 -4.904 0.706
118 3HD1 ILE 16 3HD1 ILE 16 -5.466 -4.270 1.588
119 H ALA 17 H ALA 17 -5.392 -9.329 4.300
120 HA ALA 17 HA ALA 17 -6.614 -8.387 6.807
121 1HB ALA 17 1HB ALA 17 -5.439 -11.122 6.383
122 2HB ALA 17 2HB ALA 17 -7.147 -10.745 6.127
123 3HB ALA 17 3HB ALA 17 -6.428 -10.558 7.731
124 H ILE 18 H ILE 18 -5.340 -7.747 8.424
125 HA ILE 18 HA ILE 18 -2.442 -7.746 7.928
126 HB ILE 18 HB ILE 18 -4.211 -5.819 9.427
127 1HG1 ILE 18 2HG1 ILE 18 -2.272 -5.349 7.160
128 2HG1 ILE 18 1HG1 ILE 18 -3.987 -5.666 6.924
129 1HG2 ILE 18 1HG2 ILE 18 -1.781 -4.647 9.522
130 2HG2 ILE 18 2HG2 ILE 18 -1.335 -6.340 9.739
131 3HG2 ILE 18 3HG2 ILE 18 -2.485 -5.580 10.841
132 1HD1 ILE 18 1HD1 ILE 18 -4.601 -3.643 7.950
133 2HD1 ILE 18 2HD1 ILE 18 -3.268 -3.256 6.863
134 3HD1 ILE 18 3HD1 ILE 18 -2.979 -3.391 8.597
135 H ASN 19 H ASN 19 -1.039 -8.449 9.475
136 HA ASN 19 HA ASN 19 -2.174 -9.408 12.013
137 1HB ASN 19 2HB ASN 19 -1.810 -11.266 10.321
138 2HB ASN 19 1HB ASN 19 -0.086 -10.931 10.450
139 1HD2 ASN 19 1HD2 ASN 19 -0.597 -13.363 11.045
140 2HD2 ASN 19 2HD2 ASN 19 -0.653 -13.664 12.746
141 H GLU 20 H GLU 20 -1.252 -8.237 13.557
142 HA GLU 20 HA GLU 20 1.462 -7.241 13.213
143 1HB GLU 20 2HB GLU 20 -0.568 -6.713 15.388
144 2HB GLU 20 1HB GLU 20 1.001 -5.931 15.258
145 1HG GLU 20 2HG GLU 20 0.320 -4.994 13.083
146 2HG GLU 20 1HG GLU 20 -1.272 -5.722 13.295
147 H ASP 21 H ASP 21 0.340 -10.086 14.141
148 HA ASP 21 HA ASP 21 1.722 -10.444 16.641
149 1HB ASP 21 2HB ASP 21 -0.333 -11.730 15.989
150 2HB ASP 21 1HB ASP 21 0.633 -12.555 14.769
151 H VAL 22 H VAL 22 2.527 -10.502 13.328
152 HA VAL 22 HA VAL 22 4.940 -12.086 13.807
153 HB VAL 22 HB VAL 22 5.054 -11.598 11.171
154 1HG1 VAL 22 1HG1 VAL 22 3.452 -13.761 12.519
155 2HG1 VAL 22 2HG1 VAL 22 5.176 -13.792 12.153
156 3HG1 VAL 22 3HG1 VAL 22 3.997 -13.809 10.842
157 1HG2 VAL 22 1HG2 VAL 22 2.898 -10.298 11.322
158 2HG2 VAL 22 2HG2 VAL 22 2.097 -11.836 11.643
159 3HG2 VAL 22 3HG2 VAL 22 2.940 -11.584 10.114
160 H SER 23 H SER 23 6.988 -11.257 13.415
161 HA SER 23 HA SER 23 7.103 -8.342 13.043
162 1HB SER 23 2HB SER 23 8.935 -10.135 14.640
163 2HB SER 23 1HB SER 23 9.196 -8.410 14.377
164 HG SER 23 HG SER 23 7.955 -8.125 16.036
165 HA PRO 24 HA PRO 24 7.735 -6.884 12.039
166 1HB PRO 24 2HB PRO 24 7.798 -6.056 9.306
167 2HB PRO 24 1HB PRO 24 8.796 -5.474 10.637
168 1HG PRO 24 2HG PRO 24 9.716 -6.928 8.464
169 2HG PRO 24 1HG PRO 24 10.565 -6.746 10.008
170 1HD PRO 24 2HD PRO 24 8.920 -9.021 8.999
171 2HD PRO 24 1HD PRO 24 10.379 -9.041 10.013
172 H ALA 25 H ALA 25 5.592 -6.474 12.037
173 HA ALA 25 HA ALA 25 3.669 -8.216 11.231
174 1HB ALA 25 1HB ALA 25 3.173 -6.355 12.690
175 2HB ALA 25 2HB ALA 25 2.059 -6.348 11.323
176 3HB ALA 25 3HB ALA 25 3.410 -5.214 11.366
177 H GLU 26 H GLU 26 2.445 -8.636 9.431
178 HA GLU 26 HA GLU 26 3.069 -7.096 7.004
179 1HB GLU 26 2HB GLU 26 2.827 -10.102 7.082
180 2HB GLU 26 1HB GLU 26 3.263 -9.109 5.698
181 1HG GLU 26 2HG GLU 26 5.306 -8.404 6.914
182 2HG GLU 26 1HG GLU 26 4.882 -9.536 8.198
183 H LEU 27 H LEU 27 1.545 -7.582 5.205
184 HA LEU 27 HA LEU 27 -1.183 -8.053 6.214
185 1HB LEU 27 2HB LEU 27 -0.981 -5.720 5.740
186 2HB LEU 27 1HB LEU 27 -0.177 -6.033 4.215
187 HG LEU 27 HG LEU 27 -2.973 -7.011 4.608
188 1HD1 LEU 27 1HD1 LEU 27 -2.105 -4.199 4.495
189 2HD1 LEU 27 2HD1 LEU 27 -3.593 -4.907 5.124
190 3HD1 LEU 27 3HD1 LEU 27 -3.404 -4.650 3.390
191 1HD2 LEU 27 1HD2 LEU 27 -2.468 -7.681 2.532
192 2HD2 LEU 27 2HD2 LEU 27 -1.078 -6.602 2.421
193 3HD2 LEU 27 3HD2 LEU 27 -2.697 -5.991 2.083
194 H THR 28 H THR 28 -2.334 -9.575 5.151
195 HA THR 28 HA THR 28 -1.193 -10.590 2.631
196 HB THR 28 HB THR 28 -2.687 -12.157 4.738
197 HG1 THR 28 HG1 THR 28 -0.629 -11.640 5.459
198 1HG2 THR 28 1HG2 THR 28 -2.683 -12.890 2.223
199 2HG2 THR 28 2HG2 THR 28 -2.420 -14.059 3.517
200 3HG2 THR 28 3HG2 THR 28 -1.048 -13.421 2.612
201 H TRP 29 H TRP 29 -2.431 -10.522 0.903
202 HA TRP 29 HA TRP 29 -5.278 -9.944 1.180
203 1HB TRP 29 2HB TRP 29 -4.041 -8.370 -0.199
204 2HB TRP 29 1HB TRP 29 -3.370 -9.686 -1.158
205 HD1 TRP 29 HD1 TRP 29 -6.796 -8.125 -0.379
206 HE1 TRP 29 HE1 TRP 29 -8.297 -8.366 -2.460
207 HE3 TRP 29 HE3 TRP 29 -3.631 -10.836 -3.310
208 HZ2 TRP 29 HZ2 TRP 29 -8.145 -9.576 -5.015
209 HZ3 TRP 29 HZ3 TRP 29 -4.378 -11.506 -5.555
210 HH2 TRP 29 HH2 TRP 29 -6.586 -10.890 -6.388
211 H ARG 30 H ARG 30 -6.748 -11.463 0.689
212 HA ARG 30 HA ARG 30 -5.844 -13.792 -0.881
213 1HB ARG 30 2HB ARG 30 -6.251 -14.063 1.690
214 2HB ARG 30 1HB ARG 30 -7.948 -14.073 1.230
215 1HG ARG 30 2HG ARG 30 -6.047 -15.886 -0.176
216 2HG ARG 30 1HG ARG 30 -6.607 -16.302 1.445
217 1HD ARG 30 2HD ARG 30 -8.813 -15.457 -0.197
218 2HD ARG 30 1HD ARG 30 -7.919 -16.753 -0.990
219 HE ARG 30 HE ARG 30 -8.350 -17.435 1.703
220 1HH1 ARG 30 1HH1 ARG 30 -10.108 -17.052 -1.287
221 2HH1 ARG 30 2HH1 ARG 30 -11.330 -18.204 -0.862
222 1HH2 ARG 30 1HH2 ARG 30 -9.955 -18.951 2.263
223 2HH2 ARG 30 2HH2 ARG 30 -11.242 -19.282 1.154
224 H SER 31 H SER 31 -6.901 -13.972 -2.720
225 HA SER 31 HA SER 31 -8.941 -12.428 -3.651
226 1HB SER 31 2HB SER 31 -7.712 -13.856 -5.150
227 2HB SER 31 1HB SER 31 -8.316 -15.303 -4.344
228 HG SER 31 HG SER 31 -10.002 -15.205 -5.577
229 H THR 32 H THR 32 -11.203 -13.138 -4.271
230 HA THR 32 HA THR 32 -12.627 -13.820 -1.890
231 HB THR 32 HB THR 32 -14.312 -13.884 -4.206
232 HG1 THR 32 HG1 THR 32 -12.621 -11.614 -4.084
233 1HG2 THR 32 1HG2 THR 32 -15.337 -11.933 -3.255
234 2HG2 THR 32 2HG2 THR 32 -13.952 -11.682 -2.192
235 3HG2 THR 32 3HG2 THR 32 -14.986 -13.095 -1.975
236 H ASP 33 H ASP 33 -12.000 -15.304 -4.984
237 HA ASP 33 HA ASP 33 -13.412 -17.703 -4.289
238 1HB ASP 33 2HB ASP 33 -11.797 -16.961 -6.726
239 2HB ASP 33 1HB ASP 33 -12.629 -18.500 -6.532
240 H GLY 34 H GLY 34 -10.250 -16.477 -3.967
241 1HA GLY 34 2HA GLY 34 -8.516 -17.463 -2.752
242 2HA GLY 34 1HA GLY 34 -9.357 -19.003 -2.844
243 H ASP 35 H ASP 35 -8.640 -16.955 -5.606
244 HA ASP 35 HA ASP 35 -7.031 -19.133 -6.713
245 1HB ASP 35 2HB ASP 35 -8.335 -16.745 -8.026
246 2HB ASP 35 1HB ASP 35 -7.331 -17.914 -8.879
247 H LYS 36 H LYS 36 -6.741 -15.925 -5.501
248 HA LYS 36 HA LYS 36 -3.886 -15.979 -6.158
249 1HB LYS 36 2HB LYS 36 -5.844 -14.059 -7.131
250 2HB LYS 36 1HB LYS 36 -4.524 -13.284 -6.269
251 1HG LYS 36 2HG LYS 36 -3.266 -13.454 -8.075
252 2HG LYS 36 1HG LYS 36 -3.365 -15.212 -7.963
253 1HD LYS 36 2HD LYS 36 -4.436 -15.172 -9.915
254 2HD LYS 36 1HD LYS 36 -5.800 -14.452 -9.060
255 1HE LYS 36 2HE LYS 36 -5.422 -12.402 -9.917
256 2HE LYS 36 1HE LYS 36 -3.669 -12.574 -9.822
257 1HZ LYS 36 1HZ LYS 36 -5.501 -13.410 -11.970
258 2HZ LYS 36 2HZ LYS 36 -4.026 -14.214 -11.770
259 3HZ LYS 36 3HZ LYS 36 -4.045 -12.552 -12.077
260 H VAL 37 H VAL 37 -2.536 -15.059 -4.656
261 HA VAL 37 HA VAL 37 -3.729 -13.799 -2.295
262 HB VAL 37 HB VAL 37 -1.718 -16.047 -2.101
263 1HG1 VAL 37 1HG1 VAL 37 -1.924 -15.845 0.257
264 2HG1 VAL 37 2HG1 VAL 37 -3.263 -14.707 0.109
265 3HG1 VAL 37 3HG1 VAL 37 -1.636 -14.222 -0.369
266 1HG2 VAL 37 1HG2 VAL 37 -3.631 -17.245 -0.968
267 2HG2 VAL 37 2HG2 VAL 37 -3.779 -17.043 -2.714
268 3HG2 VAL 37 3HG2 VAL 37 -4.690 -15.997 -1.625
269 H HIS 38 H HIS 38 -2.405 -12.314 -1.264
270 HA HIS 38 HA HIS 38 0.304 -11.955 -2.327
271 1HB HIS 38 2HB HIS 38 -1.403 -10.441 -3.482
272 2HB HIS 38 1HB HIS 38 -1.533 -9.606 -1.940
273 HD1 HIS 38 HD1 HIS 38 1.304 -10.639 -4.268
274 HD2 HIS 38 HD2 HIS 38 0.139 -7.501 -1.806
275 HE1 HIS 38 HE1 HIS 38 3.091 -8.887 -4.520
276 HE2 HIS 38 HE2 HIS 38 2.406 -7.033 -2.958
277 H THR 39 H THR 39 1.768 -11.009 -0.950
278 HA THR 39 HA THR 39 0.837 -10.445 1.784
279 HB THR 39 HB THR 39 3.362 -11.950 1.076
280 HG1 THR 39 HG1 THR 39 1.965 -13.514 0.867
281 1HG2 THR 39 1HG2 THR 39 3.281 -12.548 3.520
282 2HG2 THR 39 2HG2 THR 39 2.105 -11.246 3.707
283 3HG2 THR 39 3HG2 THR 39 3.737 -10.887 3.139
284 H VAL 40 H VAL 40 1.742 -8.705 2.780
285 HA VAL 40 HA VAL 40 4.008 -7.375 1.461
286 HB VAL 40 HB VAL 40 1.484 -5.980 2.358
287 1HG1 VAL 40 1HG1 VAL 40 2.924 -4.104 1.030
288 2HG1 VAL 40 2HG1 VAL 40 4.211 -5.014 1.826
289 3HG1 VAL 40 3HG1 VAL 40 2.915 -4.294 2.785
290 1HG2 VAL 40 1HG2 VAL 40 1.325 -5.318 -0.030
291 2HG2 VAL 40 2HG2 VAL 40 1.147 -7.053 0.234
292 3HG2 VAL 40 3HG2 VAL 40 2.668 -6.406 -0.382
293 H VAL 41 H VAL 41 5.421 -6.351 2.791
294 HA VAL 41 HA VAL 41 5.179 -6.898 5.628
295 HB VAL 41 HB VAL 41 7.359 -7.266 4.778
296 1HG1 VAL 41 1HG1 VAL 41 7.014 -4.637 3.398
297 2HG1 VAL 41 2HG1 VAL 41 7.404 -6.215 2.714
298 3HG1 VAL 41 3HG1 VAL 41 8.614 -5.340 3.651
299 1HG2 VAL 41 1HG2 VAL 41 8.756 -5.446 5.877
300 2HG2 VAL 41 2HG2 VAL 41 7.597 -6.296 6.900
301 3HG2 VAL 41 3HG2 VAL 41 7.225 -4.680 6.298
302 H LEU 42 H LEU 42 4.152 -5.530 6.922
303 HA LEU 42 HA LEU 42 3.401 -2.921 6.056
304 1HB LEU 42 2HB LEU 42 3.101 -4.218 8.762
305 2HB LEU 42 1HB LEU 42 2.301 -2.748 8.241
306 HG LEU 42 HG LEU 42 1.886 -5.489 7.043
307 1HD1 LEU 42 1HD1 LEU 42 0.940 -4.658 9.421
308 2HD1 LEU 42 2HD1 LEU 42 0.072 -5.757 8.349
309 3HD1 LEU 42 3HD1 LEU 42 -0.316 -4.036 8.350
310 1HD2 LEU 42 1HD2 LEU 42 1.281 -4.268 5.255
311 2HD2 LEU 42 2HD2 LEU 42 1.133 -2.780 6.190
312 3HD2 LEU 42 3HD2 LEU 42 -0.180 -3.958 6.193
313 H SER 43 H SER 43 5.834 -4.191 8.242
314 HA SER 43 HA SER 43 6.507 -1.967 9.704
315 1HB SER 43 2HB SER 43 7.552 -4.035 10.231
316 2HB SER 43 1HB SER 43 8.252 -4.170 8.618
317 HG SER 43 HG SER 43 9.081 -2.671 10.803
318 H THR 44 H THR 44 7.046 -2.504 6.339
319 HA THR 44 HA THR 44 9.032 -0.403 6.130
320 HB THR 44 HB THR 44 9.475 -1.175 4.045
321 HG1 THR 44 HG1 THR 44 7.985 -1.423 2.525
322 1HG2 THR 44 1HG2 THR 44 7.721 -3.484 4.811
323 2HG2 THR 44 2HG2 THR 44 9.350 -3.233 5.435
324 3HG2 THR 44 3HG2 THR 44 9.098 -3.492 3.710
325 H ILE 45 H ILE 45 5.621 -0.735 5.876
326 HA ILE 45 HA ILE 45 4.849 1.240 4.158
327 HB ILE 45 HB ILE 45 3.605 0.623 6.839
328 1HG1 ILE 45 2HG1 ILE 45 3.820 -1.301 5.299
329 2HG1 ILE 45 1HG1 ILE 45 2.140 -0.857 5.576
330 1HG2 ILE 45 1HG2 ILE 45 1.521 1.444 5.466
331 2HG2 ILE 45 2HG2 ILE 45 2.740 2.349 4.570
332 3HG2 ILE 45 3HG2 ILE 45 2.559 2.596 6.306
333 1HD1 ILE 45 1HD1 ILE 45 2.410 -1.348 3.266
334 2HD1 ILE 45 2HD1 ILE 45 3.809 -0.279 3.144
335 3HD1 ILE 45 3HD1 ILE 45 2.203 0.396 3.424
336 H ASP 46 H ASP 46 5.930 3.113 4.001
337 HA ASP 46 HA ASP 46 6.508 4.665 6.402
338 1HB ASP 46 2HB ASP 46 8.214 4.258 4.549
339 2HB ASP 46 1HB ASP 46 7.269 5.379 3.574
340 H LYS 47 H LYS 47 4.251 4.576 3.781
341 HA LYS 47 HA LYS 47 2.925 6.908 4.874
342 1HB LYS 47 2HB LYS 47 3.964 6.858 2.037
343 2HB LYS 47 1HB LYS 47 2.736 7.981 2.602
344 1HG LYS 47 2HG LYS 47 4.401 8.733 4.341
345 2HG LYS 47 1HG LYS 47 5.606 7.790 3.463
346 1HD LYS 47 2HD LYS 47 3.929 9.985 2.251
347 2HD LYS 47 1HD LYS 47 5.581 10.192 2.837
348 1HE LYS 47 2HE LYS 47 6.451 8.741 1.187
349 2HE LYS 47 1HE LYS 47 4.846 8.147 0.760
350 1HZ LYS 47 1HZ LYS 47 5.353 11.008 0.452
351 2HZ LYS 47 2HZ LYS 47 4.400 9.973 -0.486
352 3HZ LYS 47 3HZ LYS 47 6.082 9.966 -0.665
353 H LEU 48 H LEU 48 0.758 6.864 4.605
354 HA LEU 48 HA LEU 48 -0.324 4.591 3.082
355 1HB LEU 48 2HB LEU 48 -1.304 6.016 5.542
356 2HB LEU 48 1HB LEU 48 -2.355 4.983 4.594
357 HG LEU 48 HG LEU 48 0.245 3.966 5.703
358 1HD1 LEU 48 1HD1 LEU 48 -0.942 4.809 7.608
359 2HD1 LEU 48 2HD1 LEU 48 -1.087 3.053 7.585
360 3HD1 LEU 48 3HD1 LEU 48 -2.441 4.054 7.065
361 1HD2 LEU 48 1HD2 LEU 48 -1.413 2.860 3.906
362 2HD2 LEU 48 2HD2 LEU 48 -2.162 2.286 5.395
363 3HD2 LEU 48 3HD2 LEU 48 -0.470 1.920 5.062
364 H GLN 49 H GLN 49 -1.485 5.015 1.340
365 HA GLN 49 HA GLN 49 -2.548 7.736 0.987
366 1HB GLN 49 2HB GLN 49 -1.284 5.791 -0.856
367 2HB GLN 49 1HB GLN 49 -2.638 6.703 -1.509
368 1HG GLN 49 2HG GLN 49 -1.484 8.792 -0.814
369 2HG GLN 49 1HG GLN 49 -0.096 7.812 -0.345
370 1HE2 GLN 49 1HE2 GLN 49 -1.736 9.352 -2.891
371 2HE2 GLN 49 2HE2 GLN 49 -0.707 8.841 -4.181
372 H ALA 50 H ALA 50 -4.684 8.014 0.800
373 HA ALA 50 HA ALA 50 -6.385 5.774 0.025
374 1HB ALA 50 1HB ALA 50 -6.810 5.311 2.179
375 2HB ALA 50 2HB ALA 50 -7.843 6.739 2.107
376 3HB ALA 50 3HB ALA 50 -6.201 6.869 2.741
377 H THR 51 H THR 51 -8.204 6.373 -1.042
378 HA THR 51 HA THR 51 -8.375 9.090 -1.935
379 HB THR 51 HB THR 51 -10.305 8.288 -3.261
380 HG1 THR 51 HG1 THR 51 -11.311 6.566 -2.666
381 1HG2 THR 51 1HG2 THR 51 -7.974 6.388 -3.358
382 2HG2 THR 51 2HG2 THR 51 -8.088 7.935 -4.197
383 3HG2 THR 51 3HG2 THR 51 -9.180 6.617 -4.624
384 HA PRO 52 HA PRO 52 -11.013 10.653 1.278
385 1HB PRO 52 2HB PRO 52 -12.197 12.667 -0.197
386 2HB PRO 52 1HB PRO 52 -10.629 12.794 0.605
387 1HG PRO 52 2HG PRO 52 -11.253 12.205 -2.257
388 2HG PRO 52 1HG PRO 52 -9.967 13.217 -1.573
389 1HD PRO 52 2HD PRO 52 -9.467 10.748 -2.493
390 2HD PRO 52 1HD PRO 52 -8.629 11.392 -1.065
391 H ALA 53 H ALA 53 -13.156 10.581 1.913
392 HA ALA 53 HA ALA 53 -14.827 8.722 0.644
393 1HB ALA 53 1HB ALA 53 -14.801 9.512 3.096
394 2HB ALA 53 2HB ALA 53 -16.350 9.101 2.361
395 3HB ALA 53 3HB ALA 53 -15.879 10.791 2.537
396 H SER 54 H SER 54 -14.849 12.261 0.627
397 HA SER 54 HA SER 54 -17.252 12.637 -0.751
398 1HB SER 54 2HB SER 54 -16.449 14.868 -1.253
399 2HB SER 54 1HB SER 54 -15.952 14.442 0.384
400 HG SER 54 HG SER 54 -14.421 14.811 -1.906
401 H SER 55 H SER 55 -14.144 11.629 -1.849
402 HA SER 55 HA SER 55 -14.743 12.091 -4.632
403 1HB SER 55 2HB SER 55 -12.449 12.442 -3.841
404 2HB SER 55 1HB SER 55 -12.364 10.755 -3.333
405 HG SER 55 HG SER 55 -11.416 11.115 -5.399
406 H GLU 56 H GLU 56 -15.884 10.716 -5.796
407 HA GLU 56 HA GLU 56 -16.776 8.225 -4.909
408 1HB GLU 56 2HB GLU 56 -16.509 9.272 -7.733
409 2HB GLU 56 1HB GLU 56 -17.417 7.835 -7.282
410 1HG GLU 56 2HG GLU 56 -17.988 10.643 -6.357
411 2HG GLU 56 1HG GLU 56 -18.875 9.758 -7.598
412 H LYS 57 H LYS 57 -13.763 9.166 -6.205
413 HA LYS 57 HA LYS 57 -12.957 6.743 -7.415
414 1HB LYS 57 2HB LYS 57 -11.282 8.906 -6.130
415 2HB LYS 57 1HB LYS 57 -10.662 7.628 -7.166
416 1HG LYS 57 2HG LYS 57 -12.653 9.724 -8.006
417 2HG LYS 57 1HG LYS 57 -10.923 9.763 -8.347
418 1HD LYS 57 2HD LYS 57 -11.224 7.530 -9.489
419 2HD LYS 57 1HD LYS 57 -12.965 7.788 -9.346
420 1HE LYS 57 2HE LYS 57 -12.205 10.144 -10.425
421 2HE LYS 57 1HE LYS 57 -10.992 9.070 -11.121
422 1HZ LYS 57 1HZ LYS 57 -13.913 9.044 -11.477
423 2HZ LYS 57 2HZ LYS 57 -13.035 7.611 -11.673
424 3HZ LYS 57 3HZ LYS 57 -12.691 8.952 -12.644
425 H MET 58 H MET 58 -12.924 4.860 -6.396
426 HA MET 58 HA MET 58 -12.245 4.727 -3.556
427 1HB MET 58 2HB MET 58 -13.010 2.367 -5.247
428 2HB MET 58 1HB MET 58 -13.240 2.609 -3.521
429 1HG MET 58 2HG MET 58 -14.667 4.367 -5.464
430 2HG MET 58 1HG MET 58 -15.261 2.740 -5.146
431 1HE MET 58 1HE MET 58 -14.495 2.405 -1.989
432 2HE MET 58 2HE MET 58 -15.937 1.849 -2.842
433 3HE MET 58 3HE MET 58 -16.097 2.813 -1.373
434 H MET 59 H MET 59 -10.241 4.191 -2.897
435 HA MET 59 HA MET 59 -8.687 2.158 -4.058
436 1HB MET 59 2HB MET 59 -8.611 4.198 -5.738
437 2HB MET 59 1HB MET 59 -7.384 4.779 -4.621
438 1HG MET 59 2HG MET 59 -6.123 2.704 -4.942
439 2HG MET 59 1HG MET 59 -7.345 2.149 -6.085
440 1HE MET 59 1HE MET 59 -6.985 5.245 -8.677
441 2HE MET 59 2HE MET 59 -7.806 5.397 -7.121
442 3HE MET 59 3HE MET 59 -8.083 3.976 -8.130
443 H LEU 60 H LEU 60 -6.541 1.975 -3.144
444 HA LEU 60 HA LEU 60 -5.889 3.672 -0.874
445 1HB LEU 60 2HB LEU 60 -7.414 1.849 -0.038
446 2HB LEU 60 1HB LEU 60 -6.198 0.688 -0.537
447 HG LEU 60 HG LEU 60 -4.649 2.187 1.018
448 1HD1 LEU 60 1HD1 LEU 60 -5.656 3.465 2.561
449 2HD1 LEU 60 2HD1 LEU 60 -6.999 2.340 2.763
450 3HD1 LEU 60 3HD1 LEU 60 -7.001 3.484 1.420
451 1HD2 LEU 60 1HD2 LEU 60 -4.964 -0.183 1.305
452 2HD2 LEU 60 2HD2 LEU 60 -6.580 0.074 1.964
453 3HD2 LEU 60 3HD2 LEU 60 -5.164 0.619 2.863
454 H ARG 61 H ARG 61 -3.757 4.044 -0.938
455 HA ARG 61 HA ARG 61 -2.056 2.057 -2.299
456 1HB ARG 61 2HB ARG 61 -2.243 4.985 -2.514
457 2HB ARG 61 1HB ARG 61 -0.602 4.362 -2.411
458 1HG ARG 61 2HG ARG 61 -0.927 3.000 -4.349
459 2HG ARG 61 1HG ARG 61 -2.648 3.393 -4.394
460 1HD ARG 61 2HD ARG 61 -2.174 5.680 -4.927
461 2HD ARG 61 1HD ARG 61 -0.448 5.435 -4.665
462 HE ARG 61 HE ARG 61 -1.559 3.752 -6.713
463 1HH1 ARG 61 1HH1 ARG 61 -0.176 6.880 -6.019
464 2HH1 ARG 61 2HH1 ARG 61 0.352 7.147 -7.647
465 1HH2 ARG 61 1HH2 ARG 61 -0.865 4.102 -8.856
466 2HH2 ARG 61 2HH2 ARG 61 -0.040 5.571 -9.257
467 H LEU 62 H LEU 62 -0.251 1.332 -1.348
468 HA LEU 62 HA LEU 62 0.400 2.366 1.341
469 1HB LEU 62 2HB LEU 62 0.688 -0.383 0.130
470 2HB LEU 62 1HB LEU 62 1.483 0.081 1.619
471 HG LEU 62 HG LEU 62 -0.403 -0.116 2.850
472 1HD1 LEU 62 1HD1 LEU 62 -2.651 0.474 2.109
473 2HD1 LEU 62 2HD1 LEU 62 -2.046 0.766 0.479
474 3HD1 LEU 62 3HD1 LEU 62 -1.517 1.792 1.813
475 1HD2 LEU 62 1HD2 LEU 62 -1.145 -1.677 0.384
476 2HD2 LEU 62 2HD2 LEU 62 -1.946 -1.835 1.947
477 3HD2 LEU 62 3HD2 LEU 62 -0.242 -2.260 1.782
478 H ILE 63 H ILE 63 2.377 3.182 1.670
479 HA ILE 63 HA ILE 63 4.311 2.970 -0.538
480 HB ILE 63 HB ILE 63 4.431 5.044 1.627
481 1HG1 ILE 63 2HG1 ILE 63 2.206 4.846 0.092
482 2HG1 ILE 63 1HG1 ILE 63 2.845 6.375 0.673
483 1HG2 ILE 63 1HG2 ILE 63 5.484 6.278 -0.403
484 2HG2 ILE 63 2HG2 ILE 63 5.649 4.654 -1.071
485 3HG2 ILE 63 3HG2 ILE 63 6.421 5.060 0.463
486 1HD1 ILE 63 1HD1 ILE 63 2.187 6.115 -1.806
487 2HD1 ILE 63 2HD1 ILE 63 3.738 5.287 -1.954
488 3HD1 ILE 63 3HD1 ILE 63 3.681 6.957 -1.386
489 H GLY 64 H GLY 64 6.073 1.788 -0.199
490 1HA GLY 64 2HA GLY 64 6.733 0.981 2.532
491 2HA GLY 64 1HA GLY 64 7.356 0.257 1.057
492 H LYS 65 H LYS 65 8.719 1.294 3.500
493 HA LYS 65 HA LYS 65 10.052 3.696 3.000
494 1HB LYS 65 2HB LYS 65 10.677 1.274 4.644
495 2HB LYS 65 1HB LYS 65 11.902 2.519 4.445
496 1HG LYS 65 2HG LYS 65 10.294 4.182 5.322
497 2HG LYS 65 1HG LYS 65 9.152 2.870 5.618
498 1HD LYS 65 2HD LYS 65 10.797 1.802 7.107
499 2HD LYS 65 1HD LYS 65 11.898 3.156 6.838
500 1HE LYS 65 2HE LYS 65 10.755 4.523 8.216
501 2HE LYS 65 1HE LYS 65 9.188 3.904 7.696
502 1HZ LYS 65 1HZ LYS 65 10.937 2.231 9.372
503 2HZ LYS 65 2HZ LYS 65 9.251 2.209 9.230
504 3HZ LYS 65 3HZ LYS 65 10.010 3.452 10.089
505 H VAL 66 H VAL 66 12.302 4.028 2.384
506 HA VAL 66 HA VAL 66 13.215 2.071 0.380
507 HB VAL 66 HB VAL 66 12.275 4.390 -0.395
508 1HG1 VAL 66 1HG1 VAL 66 15.069 5.333 -0.237
509 2HG1 VAL 66 2HG1 VAL 66 14.093 5.447 1.228
510 3HG1 VAL 66 3HG1 VAL 66 13.559 6.247 -0.250
511 1HG2 VAL 66 1HG2 VAL 66 13.084 3.739 -2.353
512 2HG2 VAL 66 2HG2 VAL 66 14.016 2.517 -1.487
513 3HG2 VAL 66 3HG2 VAL 66 14.739 4.085 -1.849
514 H ASP 67 H ASP 67 15.621 3.383 -0.230
515 HA ASP 67 HA ASP 67 17.197 4.043 1.992
516 1HB ASP 67 2HB ASP 67 16.891 1.159 1.419
517 2HB ASP 67 1HB ASP 67 18.550 1.710 1.632
518 H GLU 68 H GLU 68 17.097 5.304 -0.282
519 HA GLU 68 HA GLU 68 18.687 4.461 -2.407
520 1HB GLU 68 2HB GLU 68 18.135 7.261 -1.416
521 2HB GLU 68 1HB GLU 68 18.875 6.886 -2.965
522 1HG GLU 68 2HG GLU 68 16.855 5.678 -3.633
523 2HG GLU 68 1HG GLU 68 16.112 6.081 -2.086
524 H SER 69 H SER 69 19.588 5.550 0.716
525 HA SER 69 HA SER 69 22.134 6.592 0.217
526 1HB SER 69 2HB SER 69 21.212 5.036 2.645
527 2HB SER 69 1HB SER 69 22.613 6.105 2.569
528 HG SER 69 HG SER 69 21.001 7.763 1.925
529 H LYS 70 H LYS 70 20.966 3.392 -0.063
530 HA LYS 70 HA LYS 70 23.376 1.985 0.462
531 1HB LYS 70 2HB LYS 70 20.984 1.207 -1.217
532 2HB LYS 70 1HB LYS 70 22.274 0.113 -0.735
533 1HG LYS 70 2HG LYS 70 20.478 1.588 1.181
534 2HG LYS 70 1HG LYS 70 20.238 -0.078 0.651
535 1HD LYS 70 2HD LYS 70 22.476 -0.640 1.559
536 2HD LYS 70 1HD LYS 70 22.605 1.009 2.174
537 1HE LYS 70 2HE LYS 70 21.858 -0.688 3.858
538 2HE LYS 70 1HE LYS 70 20.770 0.686 3.654
539 1HZ LYS 70 1HZ LYS 70 20.369 -1.877 2.227
540 2HZ LYS 70 2HZ LYS 70 19.262 -0.617 2.439
541 3HZ LYS 70 3HZ LYS 70 19.708 -1.580 3.755
542 H LYS 71 H LYS 71 21.954 3.380 -2.450
543 HA LYS 71 HA LYS 71 22.799 3.793 -4.521
544 1HB LYS 71 2HB LYS 71 25.254 3.759 -2.811
545 2HB LYS 71 1HB LYS 71 25.428 3.857 -4.557
546 1HG LYS 71 2HG LYS 71 25.400 6.072 -4.040
547 2HG LYS 71 1HG LYS 71 23.673 5.802 -4.282
548 1HD LYS 71 2HD LYS 71 23.317 5.608 -1.912
549 2HD LYS 71 1HD LYS 71 25.053 5.674 -1.604
550 1HE LYS 71 2HE LYS 71 25.152 7.949 -2.395
551 2HE LYS 71 1HE LYS 71 23.457 7.894 -2.877
552 1HZ LYS 71 1HZ LYS 71 23.990 7.264 -0.096
553 2HZ LYS 71 2HZ LYS 71 22.761 8.206 -0.778
554 3HZ LYS 71 3HZ LYS 71 24.302 8.865 -0.547
555 H ARG 72 H ARG 72 22.050 1.944 -5.532
556 HA ARG 72 HA ARG 72 23.772 -0.417 -5.558
557 1HB ARG 72 2HB ARG 72 21.006 0.044 -6.689
558 2HB ARG 72 1HB ARG 72 21.883 -1.477 -6.785
559 1HG ARG 72 2HG ARG 72 21.098 -0.110 -4.221
560 2HG ARG 72 1HG ARG 72 20.204 -1.428 -4.981
561 1HD ARG 72 2HD ARG 72 22.237 -2.836 -4.814
562 2HD ARG 72 1HD ARG 72 23.034 -1.527 -3.943
563 HE ARG 72 HE ARG 72 20.610 -2.165 -2.662
564 1HH1 ARG 72 1HH1 ARG 72 23.802 -3.471 -3.199
565 2HH1 ARG 72 2HH1 ARG 72 23.809 -4.390 -1.731
566 1HH2 ARG 72 1HH2 ARG 72 20.619 -3.373 -0.731
567 2HH2 ARG 72 2HH2 ARG 72 22.002 -4.334 -0.330
568 H LYS 73 H LYS 73 24.795 -1.189 -7.361
569 HA LYS 73 HA LYS 73 25.166 0.715 -9.521
570 1HB LYS 73 2HB LYS 73 26.513 -1.920 -8.914
571 2HB LYS 73 1HB LYS 73 26.931 -0.882 -10.270
572 1HG LYS 73 2HG LYS 73 26.969 0.236 -7.508
573 2HG LYS 73 1HG LYS 73 28.301 -0.783 -8.058
574 1HD LYS 73 2HD LYS 73 28.471 0.732 -10.069
575 2HD LYS 73 1HD LYS 73 27.341 1.812 -9.249
576 1HE LYS 73 2HE LYS 73 29.529 2.614 -8.787
577 2HE LYS 73 1HE LYS 73 28.939 1.849 -7.312
578 1HZ LYS 73 1HZ LYS 73 31.119 1.066 -9.063
579 2HZ LYS 73 2HZ LYS 73 30.167 -0.202 -8.473
580 3HZ LYS 73 3HZ LYS 73 30.936 0.849 -7.395
581 H ASP 74 H ASP 74 24.762 0.323 -11.683
582 HA ASP 74 HA ASP 74 22.686 -1.662 -12.190
583 1HB ASP 74 2HB ASP 74 22.674 0.874 -12.892
584 2HB ASP 74 1HB ASP 74 23.630 0.292 -14.252
585 H ASN 75 H ASN 75 22.771 -2.624 -14.498
586 HA ASN 75 HA ASN 75 24.943 -4.380 -14.634
587 1HB ASN 75 2HB ASN 75 22.955 -3.635 -16.788
588 2HB ASN 75 1HB ASN 75 24.035 -5.024 -16.848
589 1HD2 ASN 75 1HD2 ASN 75 23.904 -6.064 -14.386
590 2HD2 ASN 75 2HD2 ASN 75 22.296 -6.574 -14.016
591 H GLU 76 H GLU 76 24.611 -1.170 -15.787
592 HA GLU 76 HA GLU 76 26.700 -1.417 -17.782
593 1HB GLU 76 2HB GLU 76 25.201 0.997 -16.751
594 2HB GLU 76 1HB GLU 76 26.365 1.027 -18.069
595 1HG GLU 76 2HG GLU 76 24.343 0.941 -19.173
596 2HG GLU 76 1HG GLU 76 24.846 -0.749 -19.155
597 H GLY 77 H GLY 77 26.831 -1.447 -14.553
598 1HA GLY 77 2HA GLY 77 28.653 -1.205 -13.154
599 2HA GLY 77 1HA GLY 77 29.555 -0.534 -14.504
600 H ASN 78 H ASN 78 26.547 0.979 -13.971
601 HA ASN 78 HA ASN 78 27.928 3.228 -12.665
602 1HB ASN 78 2HB ASN 78 25.469 3.261 -14.427
603 2HB ASN 78 1HB ASN 78 26.201 4.673 -13.670
604 1HD2 ASN 78 1HD2 ASN 78 26.057 2.837 -16.424
605 2HD2 ASN 78 2HD2 ASN 78 27.500 3.389 -17.198
606 H GLU 79 H GLU 79 26.988 4.266 -10.932
607 HA GLU 79 HA GLU 79 25.328 2.665 -9.264
608 1HB GLU 79 2HB GLU 79 26.214 5.542 -8.979
609 2HB GLU 79 1HB GLU 79 25.402 4.615 -7.724
610 1HG GLU 79 2HG GLU 79 27.272 3.038 -7.685
611 2HG GLU 79 1HG GLU 79 28.087 3.984 -8.931
612 H VAL 80 H VAL 80 23.231 3.074 -8.516
613 HA VAL 80 HA VAL 80 21.659 5.015 -10.067
614 HB VAL 80 HB VAL 80 19.948 3.519 -10.574
615 1HG1 VAL 80 1HG1 VAL 80 20.953 1.707 -11.774
616 2HG1 VAL 80 2HG1 VAL 80 22.393 1.769 -10.757
617 3HG1 VAL 80 3HG1 VAL 80 22.034 3.099 -11.859
618 1HG2 VAL 80 1HG2 VAL 80 19.359 2.383 -8.661
619 2HG2 VAL 80 2HG2 VAL 80 21.021 1.892 -8.316
620 3HG2 VAL 80 3HG2 VAL 80 20.110 1.083 -9.591
621 H VAL 81 H VAL 81 19.622 5.609 -9.060
622 HA VAL 81 HA VAL 81 19.821 5.527 -6.130
623 HB VAL 81 HB VAL 81 18.103 7.372 -7.794
624 1HG1 VAL 81 1HG1 VAL 81 18.636 8.642 -5.449
625 2HG1 VAL 81 2HG1 VAL 81 18.553 6.960 -4.926
626 3HG1 VAL 81 3HG1 VAL 81 17.187 7.689 -5.769
627 1HG2 VAL 81 1HG2 VAL 81 20.238 8.006 -8.451
628 2HG2 VAL 81 2HG2 VAL 81 20.941 7.636 -6.876
629 3HG2 VAL 81 3HG2 VAL 81 19.924 9.064 -7.075
630 HA PRO 82 HA PRO 82 16.648 2.294 -6.704
631 1HB PRO 82 2HB PRO 82 16.696 2.730 -3.742
632 2HB PRO 82 1HB PRO 82 16.637 1.218 -4.653
633 1HG PRO 82 2HG PRO 82 18.916 2.069 -3.560
634 2HG PRO 82 1HG PRO 82 18.899 1.265 -5.140
635 1HD PRO 82 2HD PRO 82 19.310 4.128 -4.480
636 2HD PRO 82 1HD PRO 82 19.918 3.183 -5.850
637 H LYS 83 H LYS 83 14.373 2.161 -6.161
638 HA LYS 83 HA LYS 83 13.193 4.794 -5.545
639 1HB LYS 83 2HB LYS 83 12.128 2.592 -7.326
640 2HB LYS 83 1HB LYS 83 11.254 4.063 -6.923
641 1HG LYS 83 2HG LYS 83 12.120 4.778 -8.867
642 2HG LYS 83 1HG LYS 83 13.531 5.129 -7.868
643 1HD LYS 83 2HD LYS 83 14.755 3.472 -8.789
644 2HD LYS 83 1HD LYS 83 13.374 2.380 -8.909
645 1HE LYS 83 2HE LYS 83 14.225 3.012 -11.118
646 2HE LYS 83 1HE LYS 83 12.574 3.576 -10.869
647 1HZ LYS 83 1HZ LYS 83 13.676 5.379 -11.811
648 2HZ LYS 83 2HZ LYS 83 15.073 5.153 -10.883
649 3HZ LYS 83 3HZ LYS 83 13.665 5.750 -10.160
650 HA PRO 84 HA PRO 84 11.148 3.050 -2.098
651 1HB PRO 84 2HB PRO 84 8.938 4.915 -2.573
652 2HB PRO 84 1HB PRO 84 10.093 4.855 -1.236
653 1HG PRO 84 2HG PRO 84 10.232 6.788 -3.047
654 2HG PRO 84 1HG PRO 84 11.709 6.059 -2.407
655 1HD PRO 84 2HD PRO 84 10.287 5.461 -4.984
656 2HD PRO 84 1HD PRO 84 12.010 5.818 -4.709
657 H GLN 85 H GLN 85 9.544 1.612 -1.517
658 HA GLN 85 HA GLN 85 8.161 0.296 -3.637
659 1HB GLN 85 2HB GLN 85 8.399 -0.073 -0.687
660 2HB GLN 85 1HB GLN 85 7.060 -0.855 -1.515
661 1HG GLN 85 2HG GLN 85 8.593 -2.037 -2.959
662 2HG GLN 85 1HG GLN 85 9.962 -1.191 -2.238
663 1HE2 GLN 85 1HE2 GLN 85 7.628 -3.707 -1.865
664 2HE2 GLN 85 2HE2 GLN 85 8.302 -4.415 -0.440
665 H ARG 86 H ARG 86 5.993 0.256 -4.117
666 HA ARG 86 HA ARG 86 4.129 1.819 -2.531
667 1HB ARG 86 2HB ARG 86 4.720 2.493 -5.419
668 2HB ARG 86 1HB ARG 86 3.386 3.153 -4.484
669 1HG ARG 86 2HG ARG 86 5.078 4.077 -2.888
670 2HG ARG 86 1HG ARG 86 6.328 3.578 -4.029
671 1HD ARG 86 2HD ARG 86 5.074 4.934 -5.769
672 2HD ARG 86 1HD ARG 86 4.140 5.602 -4.431
673 HE ARG 86 HE ARG 86 6.703 6.016 -3.668
674 1HH1 ARG 86 1HH1 ARG 86 4.920 6.772 -6.571
675 2HH1 ARG 86 2HH1 ARG 86 5.852 8.187 -6.925
676 1HH2 ARG 86 1HH2 ARG 86 7.930 7.878 -4.131
677 2HH2 ARG 86 2HH2 ARG 86 7.562 8.815 -5.540
678 H HIS 87 H HIS 87 2.354 0.621 -2.354
679 HA HIS 87 HA HIS 87 1.721 -1.293 -4.494
680 1HB HIS 87 2HB HIS 87 0.757 -1.271 -1.626
681 2HB HIS 87 1HB HIS 87 0.442 -2.527 -2.819
682 HD1 HIS 87 HD1 HIS 87 2.780 -3.680 -3.769
683 HD2 HIS 87 HD2 HIS 87 2.897 -1.802 -0.064
684 HE1 HIS 87 HE1 HIS 87 4.819 -4.595 -2.616
685 HE2 HIS 87 HE2 HIS 87 4.822 -3.507 -0.344
686 H MET 88 H MET 88 -0.564 -1.642 -5.003
687 HA MET 88 HA MET 88 -2.240 0.719 -4.485
688 1HB MET 88 2HB MET 88 -1.252 0.941 -6.718
689 2HB MET 88 1HB MET 88 -1.875 -0.642 -7.159
690 1HG MET 88 2HG MET 88 -4.172 0.226 -6.792
691 2HG MET 88 1HG MET 88 -3.476 1.824 -6.528
692 1HE MET 88 1HE MET 88 -5.497 1.001 -9.851
693 2HE MET 88 2HE MET 88 -5.142 2.659 -9.367
694 3HE MET 88 3HE MET 88 -5.629 1.472 -8.157
695 H PHE 89 H PHE 89 -4.115 0.175 -3.620
696 HA PHE 89 HA PHE 89 -5.327 -2.405 -4.352
697 1HB PHE 89 2HB PHE 89 -5.165 -1.177 -1.592
698 2HB PHE 89 1HB PHE 89 -6.169 -2.565 -2.001
699 HD1 PHE 89 HD1 PHE 89 -5.228 -4.735 -2.272
700 HD2 PHE 89 HD2 PHE 89 -2.716 -1.362 -1.628
701 HE1 PHE 89 HE1 PHE 89 -3.329 -6.238 -1.836
702 HE2 PHE 89 HE2 PHE 89 -0.811 -2.858 -1.192
703 HZ PHE 89 HZ PHE 89 -1.117 -5.299 -1.296
704 H SER 90 H SER 90 -7.646 -2.467 -4.233
705 HA SER 90 HA SER 90 -8.905 0.195 -4.203
706 1HB SER 90 2HB SER 90 -8.645 -0.608 -6.525
707 2HB SER 90 1HB SER 90 -9.556 -2.062 -6.113
708 HG SER 90 HG SER 90 -11.208 -0.889 -6.679
709 H PHE 91 H PHE 91 -10.741 0.388 -3.068
710 HA PHE 91 HA PHE 91 -11.959 -2.077 -2.002
711 1HB PHE 91 2HB PHE 91 -11.552 0.595 -0.647
712 2HB PHE 91 1HB PHE 91 -12.583 -0.676 -0.001
713 HD1 PHE 91 HD1 PHE 91 -11.676 -2.511 1.170
714 HD2 PHE 91 HD2 PHE 91 -9.103 0.201 -0.865
715 HE1 PHE 91 HE1 PHE 91 -9.731 -3.513 2.297
716 HE2 PHE 91 HE2 PHE 91 -7.154 -0.800 0.260
717 HZ PHE 91 HZ PHE 91 -7.469 -2.658 1.841
718 H ASN 92 H ASN 92 -14.270 -1.832 -1.398
719 HA ASN 92 HA ASN 92 -15.621 -0.038 -3.298
720 1HB ASN 92 2HB ASN 92 -16.777 -2.535 -2.063
721 2HB ASN 92 1HB ASN 92 -17.417 -1.608 -3.417
722 1HD2 ASN 92 1HD2 ASN 92 -15.129 -1.204 -4.891
723 2HD2 ASN 92 2HD2 ASN 92 -14.562 -2.721 -5.494
724 H ASN 93 H ASN 93 -15.255 -0.824 0.019
725 HA ASN 93 HA ASN 93 -17.488 0.973 0.701
726 1HB ASN 93 2HB ASN 93 -16.316 -1.315 2.296
727 2HB ASN 93 1HB ASN 93 -17.525 -0.192 2.911
728 1HD2 ASN 93 1HD2 ASN 93 -17.877 -2.962 2.767
729 2HD2 ASN 93 2HD2 ASN 93 -19.145 -3.292 1.641
730 H ARG 94 H ARG 94 -16.751 2.922 1.224
731 HA ARG 94 HA ARG 94 -14.174 3.678 1.759
732 1HB ARG 94 2HB ARG 94 -16.758 4.892 2.730
733 2HB ARG 94 1HB ARG 94 -15.195 5.665 2.949
734 1HG ARG 94 2HG ARG 94 -15.783 6.683 1.024
735 2HG ARG 94 1HG ARG 94 -15.076 5.228 0.319
736 1HD ARG 94 2HD ARG 94 -17.142 4.301 -0.162
737 2HD ARG 94 1HD ARG 94 -17.974 5.275 1.049
738 HE ARG 94 HE ARG 94 -17.419 5.996 -1.677
739 1HH1 ARG 94 1HH1 ARG 94 -18.078 7.215 1.525
740 2HH1 ARG 94 2HH1 ARG 94 -18.693 8.732 0.957
741 1HH2 ARG 94 1HH2 ARG 94 -18.225 7.990 -2.427
742 2HH2 ARG 94 2HH2 ARG 94 -18.776 9.171 -1.286
743 H THR 95 H THR 95 -16.469 2.243 3.926
744 HA THR 95 HA THR 95 -15.196 2.867 6.350
745 HB THR 95 HB THR 95 -16.706 0.379 6.181
746 HG1 THR 95 HG1 THR 95 -17.981 2.813 5.534
747 1HG2 THR 95 1HG2 THR 95 -17.252 2.892 7.704
748 2HG2 THR 95 2HG2 THR 95 -16.261 1.560 8.296
749 3HG2 THR 95 3HG2 THR 95 -17.978 1.311 7.977
750 H VAL 96 H VAL 96 -15.140 -0.034 4.289
751 HA VAL 96 HA VAL 96 -13.404 -1.552 5.873
752 HB VAL 96 HB VAL 96 -13.632 -1.616 2.857
753 1HG1 VAL 96 1HG1 VAL 96 -11.664 -2.793 3.726
754 2HG1 VAL 96 2HG1 VAL 96 -12.845 -3.911 3.044
755 3HG1 VAL 96 3HG1 VAL 96 -12.704 -3.736 4.793
756 1HG2 VAL 96 1HG2 VAL 96 -15.735 -1.918 4.412
757 2HG2 VAL 96 2HG2 VAL 96 -15.054 -3.529 4.642
758 3HG2 VAL 96 3HG2 VAL 96 -15.473 -2.971 3.022
759 H MET 97 H MET 97 -12.666 0.511 3.060
760 HA MET 97 HA MET 97 -9.867 0.219 3.252
761 1HB MET 97 2HB MET 97 -9.922 2.525 2.015
762 2HB MET 97 1HB MET 97 -10.474 1.076 1.195
763 1HG MET 97 2HG MET 97 -12.755 1.666 1.529
764 2HG MET 97 1HG MET 97 -12.311 2.994 2.601
765 1HE MET 97 1HE MET 97 -10.502 5.418 0.091
766 2HE MET 97 2HE MET 97 -9.649 4.000 0.703
767 3HE MET 97 3HE MET 97 -10.694 4.933 1.775
768 H ASP 98 H ASP 98 -12.174 2.315 4.822
769 HA ASP 98 HA ASP 98 -10.362 4.195 5.876
770 1HB ASP 98 2HB ASP 98 -13.158 3.384 6.437
771 2HB ASP 98 1HB ASP 98 -12.309 4.210 7.739
772 H ASN 99 H ASN 99 -11.387 1.032 6.904
773 HA ASN 99 HA ASN 99 -10.209 1.153 9.503
774 1HB ASN 99 2HB ASN 99 -10.997 -1.241 7.826
775 2HB ASN 99 1HB ASN 99 -10.560 -1.298 9.532
776 1HD2 ASN 99 1HD2 ASN 99 -13.078 -1.817 7.888
777 2HD2 ASN 99 2HD2 ASN 99 -14.310 -0.973 8.757
778 H ILE 100 H ILE 100 -9.207 -0.169 6.379
779 HA ILE 100 HA ILE 100 -6.789 -1.331 7.190
780 HB ILE 100 HB ILE 100 -7.447 -0.081 4.516
781 1HG1 ILE 100 2HG1 ILE 100 -9.040 -1.850 5.329
782 2HG1 ILE 100 1HG1 ILE 100 -8.220 -2.238 3.820
783 1HG2 ILE 100 1HG2 ILE 100 -5.031 -0.502 4.906
784 2HG2 ILE 100 2HG2 ILE 100 -5.711 -1.452 3.584
785 3HG2 ILE 100 3HG2 ILE 100 -5.408 -2.207 5.149
786 1HD1 ILE 100 1HD1 ILE 100 -8.280 -4.191 5.184
787 2HD1 ILE 100 2HD1 ILE 100 -7.595 -3.312 6.557
788 3HD1 ILE 100 3HD1 ILE 100 -6.615 -3.610 5.120
789 H LYS 101 H LYS 101 -7.445 1.877 5.823
790 HA LYS 101 HA LYS 101 -4.816 2.837 5.930
791 1HB LYS 101 2HB LYS 101 -6.904 3.796 4.740
792 2HB LYS 101 1HB LYS 101 -7.224 4.598 6.272
793 1HG LYS 101 2HG LYS 101 -4.583 5.200 5.798
794 2HG LYS 101 1HG LYS 101 -5.303 5.241 4.188
795 1HD LYS 101 2HD LYS 101 -6.217 6.773 6.621
796 2HD LYS 101 1HD LYS 101 -5.432 7.437 5.186
797 1HE LYS 101 2HE LYS 101 -7.388 7.635 4.151
798 2HE LYS 101 1HE LYS 101 -7.745 5.929 4.414
799 1HZ LYS 101 1HZ LYS 101 -8.374 6.702 6.768
800 2HZ LYS 101 2HZ LYS 101 -9.455 7.006 5.504
801 3HZ LYS 101 3HZ LYS 101 -8.465 8.247 6.086
802 H MET 102 H MET 102 -7.316 2.633 8.325
803 HA MET 102 HA MET 102 -6.007 4.366 10.208
804 1HB MET 102 2HB MET 102 -8.109 4.443 10.968
805 2HB MET 102 1HB MET 102 -8.572 3.081 9.965
806 1HG MET 102 2HG MET 102 -8.025 1.527 11.661
807 2HG MET 102 1HG MET 102 -7.223 2.764 12.628
808 1HE MET 102 1HE MET 102 -10.398 1.004 11.617
809 2HE MET 102 2HE MET 102 -10.843 2.516 10.826
810 3HE MET 102 3HE MET 102 -11.719 1.980 12.260
811 H THR 103 H THR 103 -6.440 0.879 9.788
812 HA THR 103 HA THR 103 -5.058 0.139 12.147
813 HB THR 103 HB THR 103 -6.372 -1.158 9.945
814 HG1 THR 103 HG1 THR 103 -5.615 -1.900 12.565
815 1HG2 THR 103 1HG2 THR 103 -3.773 -2.364 10.805
816 2HG2 THR 103 2HG2 THR 103 -4.270 -1.924 9.171
817 3HG2 THR 103 3HG2 THR 103 -5.070 -3.258 10.008
818 H LEU 104 H LEU 104 -4.035 0.519 8.779
819 HA LEU 104 HA LEU 104 -1.415 -0.432 9.115
820 1HB LEU 104 2HB LEU 104 -2.700 1.427 7.142
821 2HB LEU 104 1HB LEU 104 -0.971 1.138 7.099
822 HG LEU 104 HG LEU 104 -3.058 -1.031 6.881
823 1HD1 LEU 104 1HD1 LEU 104 -2.618 -1.072 4.527
824 2HD1 LEU 104 2HD1 LEU 104 -1.389 0.183 4.686
825 3HD1 LEU 104 3HD1 LEU 104 -3.086 0.567 4.977
826 1HD2 LEU 104 1HD2 LEU 104 -1.390 -2.520 6.862
827 2HD2 LEU 104 2HD2 LEU 104 -0.426 -1.245 7.604
828 3HD2 LEU 104 3HD2 LEU 104 -0.362 -1.497 5.860
829 H GLN 105 H GLN 105 -2.830 2.771 9.540
830 HA GLN 105 HA GLN 105 -0.451 4.206 9.914
831 1HB GLN 105 2HB GLN 105 -3.301 4.628 10.692
832 2HB GLN 105 1HB GLN 105 -2.074 5.665 11.406
833 1HG GLN 105 2HG GLN 105 -1.315 6.153 9.040
834 2HG GLN 105 1HG GLN 105 -2.804 5.370 8.512
835 1HE2 GLN 105 1HE2 GLN 105 -2.957 7.635 7.588
836 2HE2 GLN 105 2HE2 GLN 105 -3.784 8.803 8.556
837 H GLN 106 H GLN 106 -2.323 2.204 12.049
838 HA GLN 106 HA GLN 106 -1.106 3.025 14.478
839 1HB GLN 106 2HB GLN 106 -2.554 0.484 13.724
840 2HB GLN 106 1HB GLN 106 -2.018 0.853 15.357
841 1HG GLN 106 2HG GLN 106 -3.441 2.830 15.388
842 2HG GLN 106 1HG GLN 106 -3.966 2.482 13.741
843 1HE2 GLN 106 1HE2 GLN 106 -5.802 2.760 15.730
844 2HE2 GLN 106 2HE2 GLN 106 -6.526 1.233 16.086
845 H ILE 107 H ILE 107 -0.236 0.754 11.983
846 HA ILE 107 HA ILE 107 1.749 -0.609 13.542
847 HB ILE 107 HB ILE 107 1.424 -0.567 10.538
848 1HG1 ILE 107 2HG1 ILE 107 0.454 -2.754 12.356
849 2HG1 ILE 107 1HG1 ILE 107 -0.553 -1.343 12.049
850 1HG2 ILE 107 1HG2 ILE 107 2.890 -2.446 12.387
851 2HG2 ILE 107 2HG2 ILE 107 3.598 -1.374 11.179
852 3HG2 ILE 107 3HG2 ILE 107 2.611 -2.744 10.670
853 1HD1 ILE 107 1HD1 ILE 107 0.470 -2.421 9.587
854 2HD1 ILE 107 2HD1 ILE 107 -1.197 -2.153 10.096
855 3HD1 ILE 107 3HD1 ILE 107 -0.377 -3.654 10.521
856 H ILE 108 H ILE 108 1.888 1.778 10.894
857 HA ILE 108 HA ILE 108 4.668 2.060 10.804
858 HB ILE 108 HB ILE 108 2.908 4.461 10.470
859 1HG1 ILE 108 2HG1 ILE 108 3.274 2.591 8.169
860 2HG1 ILE 108 1HG1 ILE 108 2.001 2.262 9.338
861 1HG2 ILE 108 1HG2 ILE 108 5.024 5.128 10.002
862 2HG2 ILE 108 2HG2 ILE 108 4.569 4.538 8.402
863 3HG2 ILE 108 3HG2 ILE 108 5.535 3.524 9.475
864 1HD1 ILE 108 1HD1 ILE 108 1.241 4.644 8.962
865 2HD1 ILE 108 2HD1 ILE 108 0.978 3.497 7.646
866 3HD1 ILE 108 3HD1 ILE 108 2.314 4.647 7.560
867 H SER 109 H SER 109 2.335 4.151 12.361
868 HA SER 109 HA SER 109 4.048 5.737 13.831
869 1HB SER 109 2HB SER 109 1.571 6.066 13.615
870 2HB SER 109 1HB SER 109 1.347 4.776 14.798
871 HG SER 109 HG SER 109 2.145 7.387 15.157
872 H ARG 110 H ARG 110 3.063 2.463 14.400
873 HA ARG 110 HA ARG 110 3.812 2.262 17.114
874 1HB ARG 110 2HB ARG 110 2.861 0.507 15.057
875 2HB ARG 110 1HB ARG 110 4.225 -0.247 15.869
876 1HG ARG 110 2HG ARG 110 3.059 0.221 18.042
877 2HG ARG 110 1HG ARG 110 1.650 0.705 17.094
878 1HD ARG 110 2HD ARG 110 1.906 -1.588 15.949
879 2HD ARG 110 1HD ARG 110 2.934 -1.997 17.322
880 HE ARG 110 HE ARG 110 0.428 -0.915 18.148
881 1HH1 ARG 110 1HH1 ARG 110 1.981 -3.826 17.011
882 2HH1 ARG 110 2HH1 ARG 110 0.831 -4.882 17.762
883 1HH2 ARG 110 1HH2 ARG 110 -1.084 -2.302 19.136
884 2HH2 ARG 110 2HH2 ARG 110 -0.910 -4.017 18.968
885 H TYR 111 H TYR 111 5.537 1.780 14.110
886 HA TYR 111 HA TYR 111 7.976 1.015 15.479
887 1HB TYR 111 2HB TYR 111 7.283 1.396 12.566
888 2HB TYR 111 1HB TYR 111 8.918 1.037 13.115
889 HD1 TYR 111 HD1 TYR 111 9.368 -1.130 14.285
890 HD2 TYR 111 HD2 TYR 111 5.644 -0.310 12.401
891 HE1 TYR 111 HE1 TYR 111 8.840 -3.532 14.295
892 HE2 TYR 111 HE2 TYR 111 5.103 -2.708 12.409
893 HH TYR 111 HH TYR 111 6.185 -4.833 14.171
894 H LYS 112 H LYS 112 6.553 3.832 14.009
895 HA LYS 112 HA LYS 112 8.875 5.403 13.729
896 1HB LYS 112 2HB LYS 112 6.059 6.342 14.293
897 2HB LYS 112 1HB LYS 112 7.362 7.301 13.604
898 1HG LYS 112 2HG LYS 112 7.167 5.085 11.940
899 2HG LYS 112 1HG LYS 112 5.498 5.524 12.310
900 1HD LYS 112 2HD LYS 112 5.623 7.467 11.172
901 2HD LYS 112 1HD LYS 112 7.284 7.774 11.683
902 1HE LYS 112 2HE LYS 112 8.156 6.814 9.850
903 2HE LYS 112 1HE LYS 112 6.979 5.500 9.862
904 1HZ LYS 112 1HZ LYS 112 6.105 8.194 9.079
905 2HZ LYS 112 2HZ LYS 112 5.504 6.688 8.598
906 3HZ LYS 112 3HZ LYS 112 6.966 7.256 7.964
907 H ASP 113 H ASP 113 6.534 5.071 16.365
908 HA ASP 113 HA ASP 113 7.599 7.003 18.084
909 1HB ASP 113 2HB ASP 113 6.004 4.495 18.587
910 2HB ASP 113 1HB ASP 113 6.490 5.568 19.896
911 H ALA 114 H ALA 114 8.442 3.625 17.583
912 HA ALA 114 HA ALA 114 10.134 3.304 19.806
913 1HB ALA 114 1HB ALA 114 10.858 1.837 17.358
914 2HB ALA 114 2HB ALA 114 9.193 1.641 17.906
915 3HB ALA 114 3HB ALA 114 10.529 1.243 18.986
916 H ASP 115 H ASP 115 10.671 4.642 16.608
917 HA ASP 115 HA ASP 115 13.477 5.168 17.328
918 1HB ASP 115 2HB ASP 115 13.128 3.822 15.269
919 2HB ASP 115 1HB ASP 115 12.220 5.163 14.575
920 H LEU 45 1H LEU 45 -3.007 4.638 -18.473
921 HA LEU 45 HA LEU 45 -1.124 3.411 -18.802
922 1HB LEU 45 2HB LEU 45 -1.727 5.424 -20.382
923 2HB LEU 45 1HB LEU 45 -0.196 6.065 -19.820
924 HG LEU 45 HG LEU 45 0.187 4.947 -21.898
925 1HD1 LEU 45 1HD1 LEU 45 1.150 2.899 -19.958
926 2HD1 LEU 45 2HD1 LEU 45 1.717 4.563 -19.812
927 3HD1 LEU 45 3HD1 LEU 45 1.996 3.664 -21.304
928 1HD2 LEU 45 1HD2 LEU 45 -0.619 2.276 -20.933
929 2HD2 LEU 45 2HD2 LEU 45 -0.721 2.981 -22.546
930 3HD2 LEU 45 3HD2 LEU 45 -1.924 3.395 -21.325
931 H SER 46 H SER 46 -0.434 6.398 -17.086
932 HA SER 46 HA SER 46 2.118 5.224 -16.192
933 1HB SER 46 2HB SER 46 1.448 7.977 -17.101
934 2HB SER 46 1HB SER 46 2.579 7.827 -15.756
935 HG SER 46 HG SER 46 2.819 6.819 -18.384
936 HA PRO 47 HA PRO 47 0.997 5.415 -11.948
937 1HB PRO 47 2HB PRO 47 3.243 7.326 -11.510
938 2HB PRO 47 1HB PRO 47 2.875 5.813 -10.674
939 1HG PRO 47 2HG PRO 47 4.845 5.925 -12.458
940 2HG PRO 47 1HG PRO 47 3.787 4.505 -12.361
941 1HD PRO 47 2HD PRO 47 3.817 6.715 -14.365
942 2HD PRO 47 1HD PRO 47 3.459 4.991 -14.590
943 H ASP 48 H ASP 48 1.970 8.568 -13.272
944 HA ASP 48 HA ASP 48 0.675 10.206 -11.430
945 1HB ASP 48 2HB ASP 48 1.247 10.646 -14.366
946 2HB ASP 48 1HB ASP 48 0.660 11.906 -13.285
947 H ASP 49 H ASP 49 -0.591 8.359 -14.088
948 HA ASP 49 HA ASP 49 -3.041 9.697 -14.438
949 1HB ASP 49 2HB ASP 49 -1.954 7.880 -15.910
950 2HB ASP 49 1HB ASP 49 -2.698 6.730 -14.803
951 H ILE 50 H ILE 50 -2.160 6.901 -12.441
952 HA ILE 50 HA ILE 50 -4.739 6.548 -11.326
953 HB ILE 50 HB ILE 50 -2.107 5.682 -10.137
954 1HG1 ILE 50 2HG1 ILE 50 -2.255 4.880 -12.426
955 2HG1 ILE 50 1HG1 ILE 50 -2.515 3.538 -11.317
956 1HG2 ILE 50 1HG2 ILE 50 -3.456 3.914 -9.092
957 2HG2 ILE 50 2HG2 ILE 50 -4.911 4.634 -9.782
958 3HG2 ILE 50 3HG2 ILE 50 -3.968 5.525 -8.588
959 1HD1 ILE 50 1HD1 ILE 50 -4.225 3.109 -12.710
960 2HD1 ILE 50 2HD1 ILE 50 -4.348 4.784 -13.251
961 3HD1 ILE 50 3HD1 ILE 50 -5.055 4.301 -11.708
962 H GLU 51 H GLU 51 -2.054 8.582 -10.544
963 HA GLU 51 HA GLU 51 -2.715 9.159 -7.858
964 1HB GLU 51 2HB GLU 51 -1.175 10.751 -9.912
965 2HB GLU 51 1HB GLU 51 -1.301 11.202 -8.216
966 1HG GLU 51 2HG GLU 51 -0.241 9.075 -7.593
967 2HG GLU 51 1HG GLU 51 -0.071 8.679 -9.302
968 H GLN 52 H GLN 52 -3.797 10.449 -10.924
969 HA GLN 52 HA GLN 52 -5.002 12.811 -10.027
970 1HB GLN 52 2HB GLN 52 -4.867 11.329 -12.448
971 2HB GLN 52 1HB GLN 52 -6.561 11.684 -12.143
972 1HG GLN 52 2HG GLN 52 -5.987 14.066 -11.894
973 2HG GLN 52 1HG GLN 52 -4.313 13.678 -12.294
974 1HE2 GLN 52 1HE2 GLN 52 -4.473 11.991 -14.343
975 2HE2 GLN 52 2HE2 GLN 52 -5.269 12.714 -15.695
976 H TRP 53 H TRP 53 -6.059 9.487 -9.903
977 HA TRP 53 HA TRP 53 -8.790 9.811 -9.499
978 1HB TRP 53 2HB TRP 53 -6.845 7.753 -8.460
979 2HB TRP 53 1HB TRP 53 -8.574 7.655 -8.141
980 HD1 TRP 53 HD1 TRP 53 -6.793 8.518 -11.480
981 HE1 TRP 53 HE1 TRP 53 -7.631 6.869 -13.269
982 HE3 TRP 53 HE3 TRP 53 -9.779 5.582 -8.546
983 HZ2 TRP 53 HZ2 TRP 53 -9.331 4.620 -13.418
984 HZ3 TRP 53 HZ3 TRP 53 -10.976 3.703 -9.590
985 HH2 TRP 53 HH2 TRP 53 -10.757 3.233 -11.976
986 H PHE 54 H PHE 54 -6.106 10.275 -7.309
987 HA PHE 54 HA PHE 54 -7.787 10.541 -4.979
988 1HB PHE 54 2HB PHE 54 -4.844 11.098 -5.398
989 2HB PHE 54 1HB PHE 54 -5.666 11.188 -3.843
990 HD1 PHE 54 HD1 PHE 54 -4.592 8.924 -6.541
991 HD2 PHE 54 HD2 PHE 54 -6.180 9.231 -2.605
992 HE1 PHE 54 HE1 PHE 54 -4.189 6.522 -6.195
993 HE2 PHE 54 HE2 PHE 54 -5.778 6.829 -2.250
994 HZ PHE 54 HZ PHE 54 -4.781 5.472 -4.048
995 H THR 55 H THR 55 -6.378 12.624 -7.387
996 HA THR 55 HA THR 55 -6.745 15.044 -5.900
997 HB THR 55 HB THR 55 -5.632 14.255 -8.457
998 HG1 THR 55 HG1 THR 55 -4.101 15.188 -7.407
999 1HG2 THR 55 1HG2 THR 55 -7.208 16.790 -8.320
1000 2HG2 THR 55 2HG2 THR 55 -7.209 15.556 -9.580
1001 3HG2 THR 55 3HG2 THR 55 -5.810 16.610 -9.378
1002 H GLU 56 H GLU 56 -8.449 13.421 -8.545
1003 HA GLU 56 HA GLU 56 -10.467 13.822 -9.538
1004 1HB GLU 56 2HB GLU 56 -10.749 13.327 -6.776
1005 2HB GLU 56 1HB GLU 56 -11.933 14.562 -7.183
1006 1HG GLU 56 2HG GLU 56 -11.793 12.315 -9.061
1007 2HG GLU 56 1HG GLU 56 -12.328 11.898 -7.434
1008 H ASP 57 H ASP 57 -12.607 15.457 -8.920
1009 HA ASP 57 HA ASP 57 -11.542 18.183 -8.869
1010 1HB ASP 57 2HB ASP 57 -11.698 17.531 -11.242
1011 2HB ASP 57 1HB ASP 57 -13.401 17.141 -11.018
1012 HA PRO 58 HA PRO 58 -15.071 18.758 -6.242
1013 1HB PRO 58 2HB PRO 58 -15.181 21.468 -6.252
1014 2HB PRO 58 1HB PRO 58 -13.954 20.562 -5.358
1015 1HG PRO 58 2HG PRO 58 -13.748 21.902 -8.027
1016 2HG PRO 58 1HG PRO 58 -12.589 21.899 -6.685
1017 1HD PRO 58 2HD PRO 58 -12.311 20.301 -8.852
1018 2HD PRO 58 1HD PRO 58 -11.769 19.815 -7.233
Start of MODEL 2
1 HT1 PRO 1 HT2 PRO 1 -15.235 -5.084 12.086
2 HT2 PRO 1 HT1 PRO 1 -14.557 -3.546 12.370
3 HA PRO 1 HA PRO 1 -13.358 -5.860 11.450
4 1HB PRO 1 2HB PRO 1 -12.654 -3.713 9.560
5 2HB PRO 1 1HB PRO 1 -12.877 -5.443 9.274
6 1HG PRO 1 2HG PRO 1 -14.704 -3.603 8.494
7 2HG PRO 1 1HG PRO 1 -15.152 -5.242 8.991
8 1HD PRO 1 2HD PRO 1 -15.408 -2.669 10.489
9 2HD PRO 1 1HD PRO 1 -16.471 -4.090 10.496
10 H SER 2 H SER 2 -10.905 -5.138 10.955
11 HA SER 2 HA SER 2 -9.893 -2.800 12.123
12 1HB SER 2 2HB SER 2 -10.362 -5.086 13.975
13 2HB SER 2 1HB SER 2 -8.854 -4.188 14.154
14 HG SER 2 HG SER 2 -9.940 -2.628 15.029
15 H HIS 3 H HIS 3 -9.368 -6.239 11.546
16 HA HIS 3 HA HIS 3 -6.745 -5.571 10.404
17 1HB HIS 3 2HB HIS 3 -7.301 -7.919 12.230
18 2HB HIS 3 1HB HIS 3 -5.775 -7.587 11.413
19 HD1 HIS 3 HD1 HIS 3 -8.048 -6.064 14.029
20 HD2 HIS 3 HD2 HIS 3 -4.095 -5.905 12.758
21 HE1 HIS 3 HE1 HIS 3 -6.865 -4.612 15.703
22 HE2 HIS 3 HE2 HIS 3 -4.450 -4.621 14.978
23 H SER 4 H SER 4 -9.236 -5.963 9.108
24 HA SER 4 HA SER 4 -8.487 -7.644 7.027
25 1HB SER 4 2HB SER 4 -10.185 -9.452 7.246
26 2HB SER 4 1HB SER 4 -8.918 -9.530 8.474
27 HG SER 4 HG SER 4 -10.406 -8.420 9.886
28 H GLY 5 H GLY 5 -9.326 -6.564 5.408
29 1HA GLY 5 2HA GLY 5 -12.187 -5.964 5.433
30 2HA GLY 5 1HA GLY 5 -11.078 -4.618 5.213
31 H ALA 6 H ALA 6 -12.905 -6.914 3.656
32 HA ALA 6 HA ALA 6 -11.715 -7.957 1.528
33 1HB ALA 6 1HB ALA 6 -13.737 -7.133 0.141
34 2HB ALA 6 2HB ALA 6 -14.286 -6.445 1.668
35 3HB ALA 6 3HB ALA 6 -14.013 -8.182 1.531
36 H ALA 7 H ALA 7 -10.269 -7.345 0.062
37 HA ALA 7 HA ALA 7 -10.383 -4.576 -0.950
38 1HB ALA 7 1HB ALA 7 -8.672 -4.867 0.910
39 2HB ALA 7 2HB ALA 7 -8.090 -4.174 -0.605
40 3HB ALA 7 3HB ALA 7 -7.766 -5.865 -0.228
41 H ILE 8 H ILE 8 -9.531 -4.241 -3.033
42 HA ILE 8 HA ILE 8 -9.348 -6.692 -4.625
43 HB ILE 8 HB ILE 8 -10.062 -3.872 -5.305
44 1HG1 ILE 8 2HG1 ILE 8 -11.538 -5.797 -6.746
45 2HG1 ILE 8 1HG1 ILE 8 -11.359 -6.422 -5.110
46 1HG2 ILE 8 1HG2 ILE 8 -9.945 -4.400 -7.701
47 2HG2 ILE 8 2HG2 ILE 8 -9.088 -5.888 -7.309
48 3HG2 ILE 8 3HG2 ILE 8 -8.359 -4.328 -6.933
49 1HD1 ILE 8 1HD1 ILE 8 -12.467 -3.749 -5.872
50 2HD1 ILE 8 2HD1 ILE 8 -12.256 -4.349 -4.226
51 3HD1 ILE 8 3HD1 ILE 8 -13.381 -5.152 -5.320
52 H PHE 9 H PHE 9 -7.497 -7.389 -5.343
53 HA PHE 9 HA PHE 9 -5.222 -5.495 -5.414
54 1HB PHE 9 2HB PHE 9 -5.074 -7.340 -3.703
55 2HB PHE 9 1HB PHE 9 -5.005 -8.480 -5.042
56 HD1 PHE 9 HD1 PHE 9 -2.880 -9.332 -5.223
57 HD2 PHE 9 HD2 PHE 9 -3.385 -5.177 -4.449
58 HE1 PHE 9 HE1 PHE 9 -0.445 -9.009 -5.377
59 HE2 PHE 9 HE2 PHE 9 -0.952 -4.847 -4.602
60 HZ PHE 9 HZ PHE 9 0.521 -6.765 -5.067
61 H GLU 10 H GLU 10 -4.187 -5.205 -7.287
62 HA GLU 10 HA GLU 10 -3.680 -5.348 -9.503
63 1HB GLU 10 2HB GLU 10 -4.145 -8.305 -9.113
64 2HB GLU 10 1HB GLU 10 -3.227 -7.554 -10.411
65 1HG GLU 10 2HG GLU 10 -1.620 -6.709 -8.748
66 2HG GLU 10 1HG GLU 10 -2.521 -7.550 -7.487
67 H LYS 11 H LYS 11 -6.427 -4.872 -8.745
68 HA LYS 11 HA LYS 11 -8.381 -4.510 -9.869
69 1HB LYS 11 2HB LYS 11 -7.345 -6.192 -12.150
70 2HB LYS 11 1HB LYS 11 -8.611 -4.975 -12.194
71 1HG LYS 11 2HG LYS 11 -6.901 -3.252 -11.688
72 2HG LYS 11 1HG LYS 11 -5.664 -4.502 -11.812
73 1HD LYS 11 2HD LYS 11 -6.427 -4.956 -14.130
74 2HD LYS 11 1HD LYS 11 -7.547 -3.600 -13.988
75 1HE LYS 11 2HE LYS 11 -4.541 -3.463 -13.772
76 2HE LYS 11 1HE LYS 11 -5.510 -2.930 -15.144
77 1HZ LYS 11 1HZ LYS 11 -5.133 -1.673 -12.534
78 2HZ LYS 11 2HZ LYS 11 -6.654 -1.511 -13.258
79 3HZ LYS 11 3HZ LYS 11 -5.272 -0.966 -14.065
80 H VAL 12 H VAL 12 -7.197 -7.293 -8.707
81 HA VAL 12 HA VAL 12 -9.547 -8.904 -9.362
82 HB VAL 12 HB VAL 12 -6.871 -9.627 -8.178
83 1HG1 VAL 12 1HG1 VAL 12 -7.825 -11.985 -8.090
84 2HG1 VAL 12 2HG1 VAL 12 -9.418 -11.237 -8.186
85 3HG1 VAL 12 3HG1 VAL 12 -8.360 -10.880 -6.820
86 1HG2 VAL 12 1HG2 VAL 12 -8.424 -10.402 -10.618
87 2HG2 VAL 12 2HG2 VAL 12 -6.976 -11.264 -10.084
88 3HG2 VAL 12 3HG2 VAL 12 -6.872 -9.557 -10.537
89 H SER 13 H SER 13 -10.784 -9.801 -7.727
90 HA SER 13 HA SER 13 -10.876 -8.093 -5.380
91 1HB SER 13 2HB SER 13 -13.005 -9.231 -4.891
92 2HB SER 13 1HB SER 13 -12.961 -8.489 -6.487
93 HG SER 13 HG SER 13 -12.328 -11.214 -6.079
94 H GLY 14 H GLY 14 -10.781 -8.749 -3.287
95 1HA GLY 14 2HA GLY 14 -10.453 -11.418 -2.429
96 2HA GLY 14 1HA GLY 14 -8.880 -10.659 -2.619
97 H ILE 15 H ILE 15 -9.201 -11.369 -0.203
98 HA ILE 15 HA ILE 15 -10.365 -9.127 1.289
99 HB ILE 15 HB ILE 15 -9.466 -11.762 2.434
100 1HG1 ILE 15 2HG1 ILE 15 -11.243 -11.955 0.644
101 2HG1 ILE 15 1HG1 ILE 15 -11.673 -12.613 2.219
102 1HG2 ILE 15 1HG2 ILE 15 -9.683 -10.436 4.275
103 2HG2 ILE 15 2HG2 ILE 15 -11.374 -10.921 4.095
104 3HG2 ILE 15 3HG2 ILE 15 -10.841 -9.355 3.485
105 1HD1 ILE 15 1HD1 ILE 15 -13.320 -11.125 0.809
106 2HD1 ILE 15 2HD1 ILE 15 -12.443 -9.816 1.609
107 3HD1 ILE 15 3HD1 ILE 15 -13.275 -11.039 2.572
108 H ILE 16 H ILE 16 -9.113 -7.861 2.530
109 HA ILE 16 HA ILE 16 -6.234 -8.452 2.491
110 HB ILE 16 HB ILE 16 -7.749 -6.031 2.035
111 1HG1 ILE 16 2HG1 ILE 16 -4.791 -6.632 1.904
112 2HG1 ILE 16 1HG1 ILE 16 -5.949 -6.839 0.595
113 1HG2 ILE 16 1HG2 ILE 16 -7.391 -5.533 4.371
114 2HG2 ILE 16 2HG2 ILE 16 -6.449 -4.458 3.344
115 3HG2 ILE 16 3HG2 ILE 16 -5.658 -5.797 4.179
116 1HD1 ILE 16 1HD1 ILE 16 -5.976 -4.644 0.094
117 2HD1 ILE 16 2HD1 ILE 16 -4.386 -4.692 0.853
118 3HD1 ILE 16 3HD1 ILE 16 -5.786 -4.143 1.775
119 H ALA 17 H ALA 17 -5.482 -9.225 4.330
120 HA ALA 17 HA ALA 17 -6.805 -8.418 6.829
121 1HB ALA 17 1HB ALA 17 -5.605 -11.127 6.310
122 2HB ALA 17 2HB ALA 17 -7.320 -10.748 6.093
123 3HB ALA 17 3HB ALA 17 -6.579 -10.622 7.694
124 H ILE 18 H ILE 18 -5.581 -7.491 8.263
125 HA ILE 18 HA ILE 18 -2.692 -7.464 7.891
126 HB ILE 18 HB ILE 18 -4.634 -5.741 9.388
127 1HG1 ILE 18 2HG1 ILE 18 -2.392 -4.959 7.531
128 2HG1 ILE 18 1HG1 ILE 18 -3.984 -5.426 6.941
129 1HG2 ILE 18 1HG2 ILE 18 -1.821 -6.202 10.094
130 2HG2 ILE 18 2HG2 ILE 18 -3.156 -5.564 11.057
131 3HG2 ILE 18 3HG2 ILE 18 -2.296 -4.511 9.935
132 1HD1 ILE 18 1HD1 ILE 18 -3.967 -3.083 7.012
133 2HD1 ILE 18 2HD1 ILE 18 -3.251 -3.056 8.623
134 3HD1 ILE 18 3HD1 ILE 18 -4.916 -3.598 8.407
135 H ASN 19 H ASN 19 -1.240 -8.210 9.375
136 HA ASN 19 HA ASN 19 -2.310 -9.445 11.820
137 1HB ASN 19 2HB ASN 19 -1.849 -11.125 9.975
138 2HB ASN 19 1HB ASN 19 -0.146 -10.709 10.137
139 1HD2 ASN 19 1HD2 ASN 19 0.013 -13.021 10.617
140 2HD2 ASN 19 2HD2 ASN 19 -0.229 -13.543 12.246
141 H GLU 20 H GLU 20 -1.435 -8.433 13.490
142 HA GLU 20 HA GLU 20 1.191 -7.201 13.240
143 1HB GLU 20 2HB GLU 20 -0.822 -7.107 15.493
144 2HB GLU 20 1HB GLU 20 0.680 -6.194 15.438
145 1HG GLU 20 2HG GLU 20 -0.122 -5.049 13.413
146 2HG GLU 20 1HG GLU 20 -1.646 -5.923 13.547
147 H ASP 21 H ASP 21 0.273 -10.217 13.847
148 HA ASP 21 HA ASP 21 1.748 -10.774 16.251
149 1HB ASP 21 2HB ASP 21 -0.230 -12.114 15.464
150 2HB ASP 21 1HB ASP 21 0.777 -12.723 14.154
151 H VAL 22 H VAL 22 2.474 -10.370 12.944
152 HA VAL 22 HA VAL 22 4.977 -11.860 13.154
153 HB VAL 22 HB VAL 22 5.047 -10.930 10.643
154 1HG1 VAL 22 1HG1 VAL 22 3.685 -13.125 10.111
155 2HG1 VAL 22 2HG1 VAL 22 3.874 -13.376 11.846
156 3HG1 VAL 22 3HG1 VAL 22 5.297 -13.190 10.822
157 1HG2 VAL 22 1HG2 VAL 22 2.906 -10.860 9.604
158 2HG2 VAL 22 2HG2 VAL 22 2.871 -9.739 10.967
159 3HG2 VAL 22 3HG2 VAL 22 2.102 -11.321 11.106
160 H SER 23 H SER 23 6.979 -10.887 12.909
161 HA SER 23 HA SER 23 6.968 -7.945 12.980
162 1HB SER 23 2HB SER 23 7.730 -8.362 15.092
163 2HB SER 23 1HB SER 23 8.399 -9.935 14.659
164 HG SER 23 HG SER 23 9.509 -7.370 14.259
165 HA PRO 24 HA PRO 24 7.524 -6.329 12.144
166 1HB PRO 24 2HB PRO 24 7.385 -5.021 9.799
167 2HB PRO 24 1HB PRO 24 8.836 -4.986 10.808
168 1HG PRO 24 2HG PRO 24 8.266 -6.590 8.357
169 2HG PRO 24 1HG PRO 24 9.767 -5.786 8.845
170 1HD PRO 24 2HD PRO 24 9.276 -8.471 9.137
171 2HD PRO 24 1HD PRO 24 10.427 -7.554 10.129
172 H ALA 25 H ALA 25 5.355 -5.814 11.988
173 HA ALA 25 HA ALA 25 3.516 -7.701 11.231
174 1HB ALA 25 1HB ALA 25 2.677 -6.034 12.605
175 2HB ALA 25 2HB ALA 25 1.903 -5.680 11.060
176 3HB ALA 25 3HB ALA 25 3.299 -4.737 11.585
177 H GLU 26 H GLU 26 2.373 -8.216 9.408
178 HA GLU 26 HA GLU 26 2.970 -6.669 6.976
179 1HB GLU 26 2HB GLU 26 2.824 -9.682 7.093
180 2HB GLU 26 1HB GLU 26 3.246 -8.696 5.701
181 1HG GLU 26 2HG GLU 26 5.247 -7.906 6.942
182 2HG GLU 26 1HG GLU 26 4.843 -9.043 8.226
183 H LEU 27 H LEU 27 1.480 -7.226 5.161
184 HA LEU 27 HA LEU 27 -1.238 -7.778 6.154
185 1HB LEU 27 2HB LEU 27 -1.122 -5.446 5.664
186 2HB LEU 27 1HB LEU 27 -0.283 -5.736 4.152
187 HG LEU 27 HG LEU 27 -3.059 -6.794 4.526
188 1HD1 LEU 27 1HD1 LEU 27 -3.058 -4.396 5.193
189 2HD1 LEU 27 2HD1 LEU 27 -4.019 -4.741 3.756
190 3HD1 LEU 27 3HD1 LEU 27 -2.426 -3.999 3.594
191 1HD2 LEU 27 1HD2 LEU 27 -2.908 -5.971 1.997
192 2HD2 LEU 27 2HD2 LEU 27 -2.328 -7.555 2.514
193 3HD2 LEU 27 3HD2 LEU 27 -1.188 -6.226 2.299
194 H THR 28 H THR 28 -2.278 -9.394 5.145
195 HA THR 28 HA THR 28 -1.112 -10.389 2.630
196 HB THR 28 HB THR 28 -2.578 -11.966 4.749
197 HG1 THR 28 HG1 THR 28 0.177 -11.724 4.143
198 1HG2 THR 28 1HG2 THR 28 -2.494 -12.722 2.223
199 2HG2 THR 28 2HG2 THR 28 -2.284 -13.867 3.548
200 3HG2 THR 28 3HG2 THR 28 -0.875 -13.243 2.689
201 H TRP 29 H TRP 29 -2.346 -10.409 0.895
202 HA TRP 29 HA TRP 29 -5.199 -9.875 1.158
203 1HB TRP 29 2HB TRP 29 -4.012 -8.308 -0.259
204 2HB TRP 29 1HB TRP 29 -3.298 -9.627 -1.184
205 HD1 TRP 29 HD1 TRP 29 -6.800 -8.219 -0.418
206 HE1 TRP 29 HE1 TRP 29 -8.283 -8.551 -2.509
207 HE3 TRP 29 HE3 TRP 29 -3.476 -10.739 -3.348
208 HZ2 TRP 29 HZ2 TRP 29 -8.050 -9.741 -5.066
209 HZ3 TRP 29 HZ3 TRP 29 -4.175 -11.446 -5.598
210 HH2 TRP 29 HH2 TRP 29 -6.413 -10.958 -6.437
211 H ARG 30 H ARG 30 -6.616 -11.455 0.797
212 HA ARG 30 HA ARG 30 -5.715 -13.813 -0.736
213 1HB ARG 30 2HB ARG 30 -5.980 -14.308 1.667
214 2HB ARG 30 1HB ARG 30 -7.649 -13.760 1.589
215 1HG ARG 30 2HG ARG 30 -7.750 -16.098 1.505
216 2HG ARG 30 1HG ARG 30 -8.011 -15.561 -0.155
217 1HD ARG 30 2HD ARG 30 -5.622 -15.971 -0.627
218 2HD ARG 30 1HD ARG 30 -5.428 -16.591 1.013
219 HE ARG 30 HE ARG 30 -6.518 -17.978 -1.225
220 1HH1 ARG 30 1HH1 ARG 30 -6.716 -17.678 2.245
221 2HH1 ARG 30 2HH1 ARG 30 -7.300 -19.293 2.477
222 1HH2 ARG 30 1HH2 ARG 30 -7.287 -20.101 -0.924
223 2HH2 ARG 30 2HH2 ARG 30 -7.624 -20.667 0.678
224 H SER 31 H SER 31 -6.745 -13.959 -2.623
225 HA SER 31 HA SER 31 -8.798 -12.430 -3.562
226 1HB SER 31 2HB SER 31 -7.605 -13.843 -5.081
227 2HB SER 31 1HB SER 31 -8.126 -15.300 -4.233
228 HG SER 31 HG SER 31 -9.794 -15.300 -5.491
229 H THR 32 H THR 32 -11.078 -12.857 -3.952
230 HA THR 32 HA THR 32 -12.462 -13.623 -1.618
231 HB THR 32 HB THR 32 -14.124 -13.660 -3.990
232 HG1 THR 32 HG1 THR 32 -13.660 -11.500 -4.622
233 1HG2 THR 32 1HG2 THR 32 -14.890 -13.040 -1.730
234 2HG2 THR 32 2HG2 THR 32 -15.253 -11.820 -2.950
235 3HG2 THR 32 3HG2 THR 32 -13.910 -11.579 -1.833
236 H ASP 33 H ASP 33 -11.805 -15.122 -4.687
237 HA ASP 33 HA ASP 33 -13.255 -17.499 -3.996
238 1HB ASP 33 2HB ASP 33 -11.677 -16.761 -6.456
239 2HB ASP 33 1HB ASP 33 -12.508 -18.299 -6.252
240 H GLY 34 H GLY 34 -10.064 -16.302 -3.783
241 1HA GLY 34 2HA GLY 34 -8.315 -17.289 -2.586
242 2HA GLY 34 1HA GLY 34 -9.176 -18.820 -2.632
243 H ASP 35 H ASP 35 -8.510 -16.834 -5.451
244 HA ASP 35 HA ASP 35 -6.962 -19.049 -6.563
245 1HB ASP 35 2HB ASP 35 -8.232 -16.641 -7.872
246 2HB ASP 35 1HB ASP 35 -7.275 -17.843 -8.735
247 H LYS 36 H LYS 36 -6.577 -15.837 -5.393
248 HA LYS 36 HA LYS 36 -3.737 -15.951 -6.112
249 1HB LYS 36 2HB LYS 36 -5.691 -13.980 -7.007
250 2HB LYS 36 1HB LYS 36 -4.311 -13.247 -6.202
251 1HG LYS 36 2HG LYS 36 -3.154 -13.436 -8.074
252 2HG LYS 36 1HG LYS 36 -3.271 -15.193 -7.943
253 1HD LYS 36 2HD LYS 36 -4.380 -15.099 -9.883
254 2HD LYS 36 1HD LYS 36 -5.736 -14.491 -8.933
255 1HE LYS 36 2HE LYS 36 -5.649 -12.749 -10.351
256 2HE LYS 36 1HE LYS 36 -4.320 -12.213 -9.324
257 1HZ LYS 36 1HZ LYS 36 -2.781 -12.742 -10.880
258 2HZ LYS 36 2HZ LYS 36 -4.075 -12.452 -11.929
259 3HZ LYS 36 3HZ LYS 36 -3.669 -14.039 -11.507
260 H VAL 37 H VAL 37 -2.328 -15.039 -4.633
261 HA VAL 37 HA VAL 37 -3.473 -13.813 -2.229
262 HB VAL 37 HB VAL 37 -1.445 -16.048 -2.105
263 1HG1 VAL 37 1HG1 VAL 37 -2.994 -14.796 0.150
264 2HG1 VAL 37 2HG1 VAL 37 -1.389 -14.248 -0.335
265 3HG1 VAL 37 3HG1 VAL 37 -1.618 -15.896 0.250
266 1HG2 VAL 37 1HG2 VAL 37 -3.207 -17.398 -2.399
267 2HG2 VAL 37 2HG2 VAL 37 -4.364 -16.088 -2.166
268 3HG2 VAL 37 3HG2 VAL 37 -3.677 -16.917 -0.769
269 H HIS 38 H HIS 38 -2.209 -12.270 -1.287
270 HA HIS 38 HA HIS 38 0.541 -11.939 -2.237
271 1HB HIS 38 2HB HIS 38 -1.114 -10.514 -3.580
272 2HB HIS 38 1HB HIS 38 -1.315 -9.577 -2.105
273 HD1 HIS 38 HD1 HIS 38 1.633 -10.768 -4.209
274 HD2 HIS 38 HD2 HIS 38 0.349 -7.463 -2.043
275 HE1 HIS 38 HE1 HIS 38 3.434 -9.034 -4.496
276 HE2 HIS 38 HE2 HIS 38 2.593 -7.015 -3.248
277 H THR 39 H THR 39 1.916 -10.894 -0.831
278 HA THR 39 HA THR 39 0.808 -10.165 1.797
279 HB THR 39 HB THR 39 3.354 -11.728 1.329
280 HG1 THR 39 HG1 THR 39 1.674 -13.113 1.053
281 1HG2 THR 39 1HG2 THR 39 2.059 -10.687 3.813
282 2HG2 THR 39 2HG2 THR 39 3.746 -10.586 3.308
283 3HG2 THR 39 3HG2 THR 39 3.075 -12.127 3.844
284 H VAL 40 H VAL 40 1.658 -8.366 2.753
285 HA VAL 40 HA VAL 40 3.975 -7.100 1.452
286 HB VAL 40 HB VAL 40 1.448 -5.660 2.272
287 1HG1 VAL 40 1HG1 VAL 40 2.844 -3.938 2.633
288 2HG1 VAL 40 2HG1 VAL 40 2.987 -3.870 0.875
289 3HG1 VAL 40 3HG1 VAL 40 4.194 -4.741 1.825
290 1HG2 VAL 40 1HG2 VAL 40 1.044 -6.711 0.195
291 2HG2 VAL 40 2HG2 VAL 40 2.649 -6.300 -0.412
292 3HG2 VAL 40 3HG2 VAL 40 1.442 -5.034 -0.181
293 H VAL 41 H VAL 41 5.363 -6.040 2.746
294 HA VAL 41 HA VAL 41 5.085 -6.443 5.614
295 HB VAL 41 HB VAL 41 7.237 -7.000 4.775
296 1HG1 VAL 41 1HG1 VAL 41 7.338 -6.013 2.673
297 2HG1 VAL 41 2HG1 VAL 41 8.620 -5.219 3.586
298 3HG1 VAL 41 3HG1 VAL 41 7.080 -4.393 3.317
299 1HG2 VAL 41 1HG2 VAL 41 7.384 -5.897 6.893
300 2HG2 VAL 41 2HG2 VAL 41 7.349 -4.310 6.126
301 3HG2 VAL 41 3HG2 VAL 41 8.742 -5.367 5.901
302 H LEU 42 H LEU 42 4.158 -4.919 6.826
303 HA LEU 42 HA LEU 42 3.560 -2.339 5.776
304 1HB LEU 42 2HB LEU 42 3.232 -3.399 8.580
305 2HB LEU 42 1HB LEU 42 2.510 -1.928 7.953
306 HG LEU 42 HG LEU 42 1.916 -4.717 6.957
307 1HD1 LEU 42 1HD1 LEU 42 -0.194 -3.114 8.217
308 2HD1 LEU 42 2HD1 LEU 42 1.082 -3.656 9.307
309 3HD1 LEU 42 3HD1 LEU 42 0.171 -4.834 8.362
310 1HD2 LEU 42 1HD2 LEU 42 1.032 -1.990 6.113
311 2HD2 LEU 42 2HD2 LEU 42 -0.058 -3.365 5.938
312 3HD2 LEU 42 3HD2 LEU 42 1.507 -3.372 5.126
313 H SER 43 H SER 43 6.012 -3.572 7.965
314 HA SER 43 HA SER 43 6.801 -1.251 9.240
315 1HB SER 43 2HB SER 43 7.859 -3.149 10.044
316 2HB SER 43 1HB SER 43 8.265 -3.733 8.430
317 HG SER 43 HG SER 43 10.039 -2.581 8.457
318 H THR 44 H THR 44 7.240 -2.129 5.934
319 HA THR 44 HA THR 44 9.253 -0.066 5.514
320 HB THR 44 HB THR 44 9.814 -1.128 3.594
321 HG1 THR 44 HG1 THR 44 8.420 -1.326 2.048
322 1HG2 THR 44 1HG2 THR 44 8.056 -3.323 4.638
323 2HG2 THR 44 2HG2 THR 44 9.683 -2.976 5.220
324 3HG2 THR 44 3HG2 THR 44 9.434 -3.487 3.551
325 H ILE 45 H ILE 45 5.864 -0.523 5.219
326 HA ILE 45 HA ILE 45 5.217 1.263 3.198
327 HB ILE 45 HB ILE 45 3.673 0.646 5.718
328 1HG1 ILE 45 2HG1 ILE 45 4.145 -1.300 4.292
329 2HG1 ILE 45 1HG1 ILE 45 2.430 -0.902 4.276
330 1HG2 ILE 45 1HG2 ILE 45 1.720 1.349 4.152
331 2HG2 ILE 45 2HG2 ILE 45 2.971 2.245 3.291
332 3HG2 ILE 45 3HG2 ILE 45 2.651 2.590 4.991
333 1HD1 ILE 45 1HD1 ILE 45 4.471 -0.553 2.125
334 2HD1 ILE 45 2HD1 ILE 45 2.997 0.415 2.135
335 3HD1 ILE 45 3HD1 ILE 45 2.895 -1.344 2.059
336 H ASP 46 H ASP 46 6.492 3.073 3.214
337 HA ASP 46 HA ASP 46 6.963 4.724 5.437
338 1HB ASP 46 2HB ASP 46 8.290 4.717 3.315
339 2HB ASP 46 1HB ASP 46 6.954 5.554 2.530
340 H LYS 47 H LYS 47 4.300 4.573 3.166
341 HA LYS 47 HA LYS 47 2.814 6.428 4.826
342 1HB LYS 47 2HB LYS 47 3.024 7.049 1.883
343 2HB LYS 47 1HB LYS 47 2.305 8.028 3.150
344 1HG LYS 47 2HG LYS 47 4.499 8.447 4.104
345 2HG LYS 47 1HG LYS 47 5.240 7.420 2.876
346 1HD LYS 47 2HD LYS 47 5.454 9.790 2.308
347 2HD LYS 47 1HD LYS 47 4.465 8.932 1.126
348 1HE LYS 47 2HE LYS 47 2.906 10.040 3.322
349 2HE LYS 47 1HE LYS 47 3.792 11.270 2.422
350 1HZ LYS 47 1HZ LYS 47 1.447 10.569 1.647
351 2HZ LYS 47 2HZ LYS 47 2.236 9.233 0.976
352 3HZ LYS 47 3HZ LYS 47 2.661 10.797 0.489
353 H LEU 48 H LEU 48 0.547 6.502 4.327
354 HA LEU 48 HA LEU 48 -0.398 4.304 2.634
355 1HB LEU 48 2HB LEU 48 -1.183 3.224 4.407
356 2HB LEU 48 1HB LEU 48 -0.568 4.480 5.462
357 HG LEU 48 HG LEU 48 -2.770 5.710 4.821
358 1HD1 LEU 48 1HD1 LEU 48 -3.874 2.958 4.617
359 2HD1 LEU 48 2HD1 LEU 48 -3.213 3.719 3.170
360 3HD1 LEU 48 3HD1 LEU 48 -4.538 4.488 4.041
361 1HD2 LEU 48 1HD2 LEU 48 -3.282 3.398 6.604
362 2HD2 LEU 48 2HD2 LEU 48 -3.580 5.117 6.864
363 3HD2 LEU 48 3HD2 LEU 48 -1.945 4.472 7.017
364 H GLN 49 H GLN 49 -1.884 4.909 1.189
365 HA GLN 49 HA GLN 49 -3.180 7.525 1.595
366 1HB GLN 49 2HB GLN 49 -2.300 6.167 -0.952
367 2HB GLN 49 1HB GLN 49 -3.316 7.602 -0.918
368 1HG GLN 49 2HG GLN 49 -1.557 8.852 0.186
369 2HG GLN 49 1HG GLN 49 -0.544 7.412 0.241
370 1HE2 GLN 49 1HE2 GLN 49 0.311 9.764 -0.919
371 2HE2 GLN 49 2HE2 GLN 49 0.468 9.533 -2.625
372 H ALA 50 H ALA 50 -5.333 7.748 1.243
373 HA ALA 50 HA ALA 50 -6.881 5.523 0.187
374 1HB ALA 50 1HB ALA 50 -8.072 6.507 2.659
375 2HB ALA 50 2HB ALA 50 -6.529 5.689 2.909
376 3HB ALA 50 3HB ALA 50 -7.848 4.854 2.088
377 H THR 51 H THR 51 -8.659 6.195 -0.892
378 HA THR 51 HA THR 51 -9.008 9.008 -1.298
379 HB THR 51 HB THR 51 -10.743 8.359 -2.892
380 HG1 THR 51 HG1 THR 51 -11.213 6.118 -3.123
381 1HG2 THR 51 1HG2 THR 51 -8.554 8.178 -3.800
382 2HG2 THR 51 2HG2 THR 51 -9.473 6.765 -4.325
383 3HG2 THR 51 3HG2 THR 51 -8.297 6.619 -3.017
384 HA PRO 52 HA PRO 52 -11.982 9.614 1.961
385 1HB PRO 52 2HB PRO 52 -12.887 12.059 1.199
386 2HB PRO 52 1HB PRO 52 -11.323 11.814 1.985
387 1HG PRO 52 2HG PRO 52 -11.949 12.168 -0.921
388 2HG PRO 52 1HG PRO 52 -10.638 12.882 0.037
389 1HD PRO 52 2HD PRO 52 -10.257 10.747 -1.579
390 2HD PRO 52 1HD PRO 52 -9.349 10.973 -0.070
391 H ALA 53 H ALA 53 -14.275 9.863 2.261
392 HA ALA 53 HA ALA 53 -15.847 8.376 0.518
393 1HB ALA 53 1HB ALA 53 -17.786 9.485 1.785
394 2HB ALA 53 2HB ALA 53 -16.528 10.293 2.721
395 3HB ALA 53 3HB ALA 53 -16.626 8.532 2.710
396 H SER 54 H SER 54 -15.444 11.881 0.762
397 HA SER 54 HA SER 54 -17.454 12.603 -1.064
398 1HB SER 54 2HB SER 54 -16.385 14.774 -1.147
399 2HB SER 54 1HB SER 54 -16.316 14.178 0.511
400 HG SER 54 HG SER 54 -14.174 13.671 0.229
401 H SER 55 H SER 55 -14.256 11.386 -1.502
402 HA SER 55 HA SER 55 -13.964 12.186 -4.225
403 1HB SER 55 2HB SER 55 -11.984 11.796 -2.873
404 2HB SER 55 1HB SER 55 -12.475 10.127 -2.587
405 HG SER 55 HG SER 55 -10.886 10.710 -4.382
406 H GLU 56 H GLU 56 -14.906 11.314 -5.923
407 HA GLU 56 HA GLU 56 -16.652 9.146 -5.832
408 1HB GLU 56 2HB GLU 56 -16.599 10.879 -7.622
409 2HB GLU 56 1HB GLU 56 -15.128 10.145 -8.244
410 1HG GLU 56 2HG GLU 56 -16.376 8.052 -8.629
411 2HG GLU 56 1HG GLU 56 -17.847 8.865 -8.094
412 H LYS 57 H LYS 57 -13.240 9.233 -5.919
413 HA LYS 57 HA LYS 57 -12.832 6.664 -7.132
414 1HB LYS 57 2HB LYS 57 -11.020 8.458 -5.512
415 2HB LYS 57 1HB LYS 57 -10.497 6.938 -6.227
416 1HG LYS 57 2HG LYS 57 -9.809 8.518 -7.770
417 2HG LYS 57 1HG LYS 57 -11.333 7.938 -8.445
418 1HD LYS 57 2HD LYS 57 -12.499 9.869 -7.657
419 2HD LYS 57 1HD LYS 57 -11.101 10.397 -6.719
420 1HE LYS 57 2HE LYS 57 -10.784 11.726 -8.526
421 2HE LYS 57 1HE LYS 57 -9.972 10.284 -9.138
422 1HZ LYS 57 1HZ LYS 57 -11.974 9.664 -10.302
423 2HZ LYS 57 2HZ LYS 57 -11.531 11.236 -10.746
424 3HZ LYS 57 3HZ LYS 57 -12.808 10.992 -9.663
425 H MET 58 H MET 58 -12.026 4.776 -6.056
426 HA MET 58 HA MET 58 -12.460 4.626 -3.167
427 1HB MET 58 2HB MET 58 -13.791 2.790 -5.163
428 2HB MET 58 1HB MET 58 -13.810 2.576 -3.418
429 1HG MET 58 2HG MET 58 -14.900 4.849 -3.281
430 2HG MET 58 1HG MET 58 -15.100 4.754 -5.031
431 1HE MET 58 1HE MET 58 -16.306 1.354 -2.440
432 2HE MET 58 2HE MET 58 -16.866 2.789 -1.581
433 3HE MET 58 3HE MET 58 -15.166 2.638 -2.029
434 H MET 59 H MET 59 -10.107 4.490 -3.242
435 HA MET 59 HA MET 59 -9.228 1.740 -3.414
436 1HB MET 59 2HB MET 59 -8.036 3.887 -5.167
437 2HB MET 59 1HB MET 59 -7.241 2.358 -4.833
438 1HG MET 59 2HG MET 59 -8.234 1.756 -6.753
439 2HG MET 59 1HG MET 59 -9.602 1.441 -5.691
440 1HE MET 59 1HE MET 59 -7.732 4.285 -7.060
441 2HE MET 59 2HE MET 59 -8.951 5.559 -7.089
442 3HE MET 59 3HE MET 59 -8.611 4.630 -8.550
443 H LEU 60 H LEU 60 -6.884 1.554 -2.751
444 HA LEU 60 HA LEU 60 -6.080 3.687 -0.894
445 1HB LEU 60 2HB LEU 60 -6.864 0.956 -0.261
446 2HB LEU 60 1HB LEU 60 -5.247 1.318 0.308
447 HG LEU 60 HG LEU 60 -7.290 3.354 0.934
448 1HD1 LEU 60 1HD1 LEU 60 -8.239 2.096 2.775
449 2HD1 LEU 60 2HD1 LEU 60 -7.306 0.673 2.311
450 3HD1 LEU 60 3HD1 LEU 60 -8.571 1.285 1.246
451 1HD2 LEU 60 1HD2 LEU 60 -5.897 3.825 2.637
452 2HD2 LEU 60 2HD2 LEU 60 -4.734 2.898 1.688
453 3HD2 LEU 60 3HD2 LEU 60 -5.608 2.125 3.010
454 H ARG 61 H ARG 61 -4.036 4.304 -1.257
455 HA ARG 61 HA ARG 61 -2.303 2.487 -2.788
456 1HB ARG 61 2HB ARG 61 -2.653 5.432 -2.735
457 2HB ARG 61 1HB ARG 61 -1.022 4.833 -3.005
458 1HG ARG 61 2HG ARG 61 -3.377 3.912 -4.624
459 2HG ARG 61 1HG ARG 61 -2.402 5.317 -5.059
460 1HD ARG 61 2HD ARG 61 -0.497 3.410 -4.599
461 2HD ARG 61 1HD ARG 61 -1.808 2.463 -5.302
462 HE ARG 61 HE ARG 61 -1.532 4.662 -6.927
463 1HH1 ARG 61 1HH1 ARG 61 0.522 2.045 -5.872
464 2HH1 ARG 61 2HH1 ARG 61 1.471 2.040 -7.320
465 1HH2 ARG 61 1HH2 ARG 61 -0.285 4.657 -8.833
466 2HH2 ARG 61 2HH2 ARG 61 1.014 3.522 -9.001
467 H LEU 62 H LEU 62 -0.660 1.565 -1.792
468 HA LEU 62 HA LEU 62 0.315 2.699 0.740
469 1HB LEU 62 2HB LEU 62 0.476 -0.060 -0.462
470 2HB LEU 62 1HB LEU 62 1.435 0.411 0.925
471 HG LEU 62 HG LEU 62 -0.332 0.325 2.359
472 1HD1 LEU 62 1HD1 LEU 62 -1.605 2.105 1.241
473 2HD1 LEU 62 2HD1 LEU 62 -2.645 0.797 1.807
474 3HD1 LEU 62 3HD1 LEU 62 -2.236 0.921 0.097
475 1HD2 LEU 62 1HD2 LEU 62 -1.858 -1.524 1.740
476 2HD2 LEU 62 2HD2 LEU 62 -0.160 -1.888 1.431
477 3HD2 LEU 62 3HD2 LEU 62 -1.226 -1.449 0.095
478 H ILE 63 H ILE 63 2.376 3.413 0.938
479 HA ILE 63 HA ILE 63 4.018 3.395 -1.494
480 HB ILE 63 HB ILE 63 4.832 4.991 0.879
481 1HG1 ILE 63 2HG1 ILE 63 2.489 5.505 0.874
482 2HG1 ILE 63 1HG1 ILE 63 3.338 6.856 0.133
483 1HG2 ILE 63 1HG2 ILE 63 5.136 6.629 -1.153
484 2HG2 ILE 63 2HG2 ILE 63 5.063 5.127 -2.078
485 3HG2 ILE 63 3HG2 ILE 63 6.294 5.340 -0.831
486 1HD1 ILE 63 1HD1 ILE 63 2.522 6.382 -1.963
487 2HD1 ILE 63 2HD1 ILE 63 1.159 6.009 -0.910
488 3HD1 ILE 63 3HD1 ILE 63 2.154 4.705 -1.559
489 H GLY 64 H GLY 64 6.229 2.847 -1.434
490 1HA GLY 64 2HA GLY 64 6.962 1.147 0.870
491 2HA GLY 64 1HA GLY 64 7.441 0.809 -0.787
492 H LYS 65 H LYS 65 8.828 1.528 1.916
493 HA LYS 65 HA LYS 65 10.187 3.931 1.688
494 1HB LYS 65 2HB LYS 65 10.758 1.328 3.012
495 2HB LYS 65 1HB LYS 65 12.085 2.471 2.862
496 1HG LYS 65 2HG LYS 65 10.816 4.152 4.053
497 2HG LYS 65 1HG LYS 65 9.426 3.069 4.142
498 1HD LYS 65 2HD LYS 65 10.857 1.464 5.415
499 2HD LYS 65 1HD LYS 65 12.120 2.696 5.444
500 1HE LYS 65 2HE LYS 65 9.929 4.076 6.339
501 2HE LYS 65 1HE LYS 65 9.670 2.473 7.025
502 1HZ LYS 65 1HZ LYS 65 10.945 3.902 8.509
503 2HZ LYS 65 2HZ LYS 65 12.143 4.087 7.330
504 3HZ LYS 65 3HZ LYS 65 11.861 2.567 8.015
505 H VAL 66 H VAL 66 11.990 4.634 0.641
506 HA VAL 66 HA VAL 66 13.109 2.815 -1.388
507 HB VAL 66 HB VAL 66 11.795 4.978 -2.045
508 1HG1 VAL 66 1HG1 VAL 66 12.829 7.008 -1.988
509 2HG1 VAL 66 2HG1 VAL 66 14.447 6.305 -1.964
510 3HG1 VAL 66 3HG1 VAL 66 13.462 6.298 -0.502
511 1HG2 VAL 66 1HG2 VAL 66 14.174 5.090 -3.656
512 2HG2 VAL 66 2HG2 VAL 66 12.570 4.481 -4.062
513 3HG2 VAL 66 3HG2 VAL 66 13.743 3.420 -3.286
514 H ASP 67 H ASP 67 15.250 4.472 -2.131
515 HA ASP 67 HA ASP 67 16.880 5.331 -0.027
516 1HB ASP 67 2HB ASP 67 16.762 2.478 -0.321
517 2HB ASP 67 1HB ASP 67 18.377 3.032 -0.752
518 H GLU 68 H GLU 68 16.693 6.777 -1.999
519 HA GLU 68 HA GLU 68 17.946 6.204 -4.418
520 1HB GLU 68 2HB GLU 68 17.676 8.869 -3.021
521 2HB GLU 68 1HB GLU 68 18.105 8.657 -4.713
522 1HG GLU 68 2HG GLU 68 15.892 9.025 -4.965
523 2HG GLU 68 1HG GLU 68 15.837 7.281 -4.719
524 H SER 69 H SER 69 19.309 6.832 -1.339
525 HA SER 69 HA SER 69 21.787 7.917 -2.033
526 1HB SER 69 2HB SER 69 20.934 7.738 0.292
527 2HB SER 69 1HB SER 69 21.206 5.997 0.233
528 HG SER 69 HG SER 69 23.151 8.052 0.043
529 H LYS 70 H LYS 70 20.518 4.800 -2.631
530 HA LYS 70 HA LYS 70 22.866 3.256 -2.621
531 1HB LYS 70 2HB LYS 70 20.350 2.960 -4.269
532 2HB LYS 70 1HB LYS 70 21.612 1.740 -4.151
533 1HG LYS 70 2HG LYS 70 20.041 2.791 -1.809
534 2HG LYS 70 1HG LYS 70 19.659 1.312 -2.691
535 1HD LYS 70 2HD LYS 70 21.929 0.464 -2.134
536 2HD LYS 70 1HD LYS 70 22.181 1.902 -1.143
537 1HE LYS 70 2HE LYS 70 19.908 1.126 -0.054
538 2HE LYS 70 1HE LYS 70 20.404 -0.443 -0.684
539 1HZ LYS 70 1HZ LYS 70 21.134 0.437 1.691
540 2HZ LYS 70 2HZ LYS 70 22.411 1.077 0.785
541 3HZ LYS 70 3HZ LYS 70 22.114 -0.588 0.766
542 H LYS 71 H LYS 71 21.324 5.147 -5.197
543 HA LYS 71 HA LYS 71 22.099 5.925 -7.189
544 1HB LYS 71 2HB LYS 71 24.616 5.647 -5.592
545 2HB LYS 71 1HB LYS 71 24.719 6.054 -7.299
546 1HG LYS 71 2HG LYS 71 24.681 8.142 -6.397
547 2HG LYS 71 1HG LYS 71 22.950 7.883 -6.626
548 1HD LYS 71 2HD LYS 71 22.723 7.206 -4.302
549 2HD LYS 71 1HD LYS 71 24.462 7.381 -4.063
550 1HE LYS 71 2HE LYS 71 22.452 9.545 -4.650
551 2HE LYS 71 1HE LYS 71 23.410 9.334 -3.187
552 1HZ LYS 71 1HZ LYS 71 24.521 10.987 -4.338
553 2HZ LYS 71 2HZ LYS 71 24.287 10.259 -5.847
554 3HZ LYS 71 3HZ LYS 71 25.400 9.601 -4.755
555 H ARG 72 H ARG 72 21.355 4.275 -8.493
556 HA ARG 72 HA ARG 72 23.224 2.077 -9.054
557 1HB ARG 72 2HB ARG 72 20.275 2.304 -9.672
558 2HB ARG 72 1HB ARG 72 21.289 0.918 -10.044
559 1HG ARG 72 2HG ARG 72 21.714 1.271 -7.357
560 2HG ARG 72 1HG ARG 72 20.010 1.688 -7.545
561 1HD ARG 72 2HD ARG 72 19.793 -0.470 -8.876
562 2HD ARG 72 1HD ARG 72 21.393 -0.884 -8.259
563 HE ARG 72 HE ARG 72 18.912 -0.935 -6.817
564 1HH1 ARG 72 1HH1 ARG 72 22.374 -0.615 -6.514
565 2HH1 ARG 72 2HH1 ARG 72 22.407 -1.160 -4.872
566 1HH2 ARG 72 1HH2 ARG 72 18.954 -1.654 -4.656
567 2HH2 ARG 72 2HH2 ARG 72 20.466 -1.751 -3.817
568 H LYS 73 H LYS 73 23.705 1.506 -11.207
569 HA LYS 73 HA LYS 73 23.568 3.771 -13.053
570 1HB LYS 73 2HB LYS 73 25.229 1.246 -13.143
571 2HB LYS 73 1HB LYS 73 25.302 2.543 -14.328
572 1HG LYS 73 2HG LYS 73 25.649 3.547 -11.640
573 2HG LYS 73 1HG LYS 73 26.830 2.292 -12.028
574 1HD LYS 73 2HD LYS 73 27.178 3.594 -14.220
575 2HD LYS 73 1HD LYS 73 26.350 4.918 -13.400
576 1HE LYS 73 2HE LYS 73 28.141 4.221 -11.507
577 2HE LYS 73 1HE LYS 73 29.043 3.799 -12.963
578 1HZ LYS 73 1HZ LYS 73 28.157 6.424 -12.020
579 2HZ LYS 73 2HZ LYS 73 28.225 6.171 -13.690
580 3HZ LYS 73 3HZ LYS 73 29.617 5.975 -12.748
581 H ASP 74 H ASP 74 22.867 3.556 -15.194
582 HA ASP 74 HA ASP 74 20.889 1.436 -15.572
583 1HB ASP 74 2HB ASP 74 20.491 4.011 -15.891
584 2HB ASP 74 1HB ASP 74 21.235 3.736 -17.463
585 H ASN 75 H ASN 75 20.616 0.754 -17.952
586 HA ASN 75 HA ASN 75 22.879 -0.689 -18.730
587 1HB ASN 75 2HB ASN 75 20.443 0.048 -20.363
588 2HB ASN 75 1HB ASN 75 21.617 -1.189 -20.800
589 1HD2 ASN 75 1HD2 ASN 75 22.070 -2.501 -18.513
590 2HD2 ASN 75 2HD2 ASN 75 20.621 -3.236 -17.925
591 H GLU 76 H GLU 76 22.008 2.567 -19.356
592 HA GLU 76 HA GLU 76 23.677 2.805 -21.714
593 1HB GLU 76 2HB GLU 76 22.193 4.904 -20.122
594 2HB GLU 76 1HB GLU 76 23.032 5.190 -21.640
595 1HG GLU 76 2HG GLU 76 21.516 3.598 -22.747
596 2HG GLU 76 1HG GLU 76 20.648 3.400 -21.225
597 H GLY 77 H GLY 77 24.464 2.410 -18.617
598 1HA GLY 77 2HA GLY 77 26.478 2.738 -17.541
599 2HA GLY 77 1HA GLY 77 27.028 3.654 -18.936
600 H ASN 78 H ASN 78 24.043 4.692 -17.630
601 HA ASN 78 HA ASN 78 25.418 6.954 -16.338
602 1HB ASN 78 2HB ASN 78 22.673 6.861 -17.608
603 2HB ASN 78 1HB ASN 78 23.378 8.266 -16.812
604 1HD2 ASN 78 1HD2 ASN 78 22.928 6.717 -19.713
605 2HD2 ASN 78 2HD2 ASN 78 24.117 7.546 -20.652
606 H GLU 79 H GLU 79 24.724 7.684 -14.343
607 HA GLU 79 HA GLU 79 23.557 5.705 -12.641
608 1HB GLU 79 2HB GLU 79 24.283 8.589 -12.088
609 2HB GLU 79 1HB GLU 79 23.829 7.409 -10.866
610 1HG GLU 79 2HG GLU 79 25.779 6.046 -11.490
611 2HG GLU 79 1HG GLU 79 26.247 7.286 -12.653
612 H VAL 80 H VAL 80 21.596 5.754 -11.553
613 HA VAL 80 HA VAL 80 19.656 7.779 -12.445
614 HB VAL 80 HB VAL 80 17.974 6.228 -12.898
615 1HG1 VAL 80 1HG1 VAL 80 18.951 4.585 -14.463
616 2HG1 VAL 80 2HG1 VAL 80 20.551 4.975 -13.831
617 3HG1 VAL 80 3HG1 VAL 80 19.607 6.210 -14.667
618 1HG2 VAL 80 1HG2 VAL 80 18.480 3.693 -12.413
619 2HG2 VAL 80 2HG2 VAL 80 17.841 4.741 -11.143
620 3HG2 VAL 80 3HG2 VAL 80 19.566 4.363 -11.196
621 H VAL 81 H VAL 81 17.798 8.016 -11.031
622 HA VAL 81 HA VAL 81 18.526 7.518 -8.229
623 HB VAL 81 HB VAL 81 16.378 9.381 -9.248
624 1HG1 VAL 81 1HG1 VAL 81 15.870 9.248 -7.055
625 2HG1 VAL 81 2HG1 VAL 81 17.204 10.389 -6.891
626 3HG1 VAL 81 3HG1 VAL 81 17.475 8.670 -6.606
627 1HG2 VAL 81 1HG2 VAL 81 18.185 11.136 -8.589
628 2HG2 VAL 81 2HG2 VAL 81 18.253 10.364 -10.174
629 3HG2 VAL 81 3HG2 VAL 81 19.312 9.810 -8.877
630 HA PRO 82 HA PRO 82 15.588 4.063 -8.769
631 1HB PRO 82 2HB PRO 82 16.109 4.118 -5.821
632 2HB PRO 82 1HB PRO 82 16.015 2.736 -6.919
633 1HG PRO 82 2HG PRO 82 18.372 3.680 -6.096
634 2HG PRO 82 1HG PRO 82 18.147 3.076 -7.748
635 1HD PRO 82 2HD PRO 82 18.451 5.861 -6.780
636 2HD PRO 82 1HD PRO 82 18.856 5.159 -8.357
637 H LYS 83 H LYS 83 13.412 3.890 -8.391
638 HA LYS 83 HA LYS 83 12.153 6.170 -7.034
639 1HB LYS 83 2HB LYS 83 11.348 4.363 -9.265
640 2HB LYS 83 1HB LYS 83 10.074 5.019 -8.246
641 1HG LYS 83 2HG LYS 83 10.723 7.265 -8.778
642 2HG LYS 83 1HG LYS 83 12.142 6.690 -9.655
643 1HD LYS 83 2HD LYS 83 9.392 5.810 -10.451
644 2HD LYS 83 1HD LYS 83 10.027 7.367 -10.987
645 1HE LYS 83 2HE LYS 83 11.501 6.421 -12.412
646 2HE LYS 83 1HE LYS 83 11.834 5.068 -11.331
647 1HZ LYS 83 1HZ LYS 83 9.236 5.242 -12.706
648 2HZ LYS 83 2HZ LYS 83 10.052 3.877 -12.134
649 3HZ LYS 83 3HZ LYS 83 10.588 4.654 -13.537
650 HA PRO 84 HA PRO 84 10.762 3.723 -3.683
651 1HB PRO 84 2HB PRO 84 8.420 5.475 -3.516
652 2HB PRO 84 1HB PRO 84 9.759 5.276 -2.379
653 1HG PRO 84 2HG PRO 84 9.539 7.489 -3.823
654 2HG PRO 84 1HG PRO 84 11.127 6.770 -3.531
655 1HD PRO 84 2HD PRO 84 9.368 6.517 -5.952
656 2HD PRO 84 1HD PRO 84 11.094 6.945 -5.859
657 H GLN 85 H GLN 85 9.267 2.151 -3.087
658 HA GLN 85 HA GLN 85 7.720 1.026 -5.197
659 1HB GLN 85 2HB GLN 85 8.440 0.307 -2.437
660 2HB GLN 85 1HB GLN 85 6.873 -0.294 -2.958
661 1HG GLN 85 2HG GLN 85 7.765 -1.735 -4.455
662 2HG GLN 85 1HG GLN 85 9.132 -0.683 -4.820
663 1HE2 GLN 85 1HE2 GLN 85 8.036 -1.841 -1.676
664 2HE2 GLN 85 2HE2 GLN 85 9.469 -2.728 -1.300
665 H ARG 86 H ARG 86 5.440 0.643 -5.211
666 HA ARG 86 HA ARG 86 3.747 2.115 -3.395
667 1HB ARG 86 2HB ARG 86 4.389 3.111 -6.104
668 2HB ARG 86 1HB ARG 86 2.683 3.112 -5.681
669 1HG ARG 86 2HG ARG 86 3.009 5.041 -4.647
670 2HG ARG 86 1HG ARG 86 3.992 4.182 -3.459
671 1HD ARG 86 2HD ARG 86 5.411 5.865 -4.205
672 2HD ARG 86 1HD ARG 86 5.903 4.470 -5.164
673 HE ARG 86 HE ARG 86 4.066 5.673 -6.737
674 1HH1 ARG 86 1HH1 ARG 86 6.917 6.836 -5.091
675 2HH1 ARG 86 2HH1 ARG 86 7.249 8.063 -6.269
676 1HH2 ARG 86 1HH2 ARG 86 4.502 7.285 -8.286
677 2HH2 ARG 86 2HH2 ARG 86 5.878 8.317 -8.083
678 H HIS 87 H HIS 87 2.088 0.805 -3.007
679 HA HIS 87 HA HIS 87 1.313 -1.155 -5.048
680 1HB HIS 87 2HB HIS 87 0.510 -1.079 -2.134
681 2HB HIS 87 1HB HIS 87 0.270 -2.407 -3.263
682 HD1 HIS 87 HD1 HIS 87 2.300 -3.906 -3.780
683 HD2 HIS 87 HD2 HIS 87 3.102 -0.846 -1.086
684 HE1 HIS 87 HE1 HIS 87 4.533 -4.469 -2.769
685 HE2 HIS 87 HE2 HIS 87 4.958 -2.647 -1.082
686 H MET 88 H MET 88 -0.955 -1.549 -5.456
687 HA MET 88 HA MET 88 -2.686 0.746 -4.825
688 1HB MET 88 2HB MET 88 -1.835 0.907 -7.148
689 2HB MET 88 1HB MET 88 -2.550 -0.661 -7.496
690 1HG MET 88 2HG MET 88 -4.770 0.277 -6.957
691 2HG MET 88 1HG MET 88 -4.016 1.852 -6.732
692 1HE MET 88 1HE MET 88 -5.779 2.596 -10.041
693 2HE MET 88 2HE MET 88 -5.680 2.870 -8.304
694 3HE MET 88 3HE MET 88 -6.478 1.426 -8.923
695 H PHE 89 H PHE 89 -4.537 0.201 -3.915
696 HA PHE 89 HA PHE 89 -5.665 -2.463 -4.449
697 1HB PHE 89 2HB PHE 89 -5.403 -1.106 -1.759
698 2HB PHE 89 1HB PHE 89 -6.379 -2.542 -2.050
699 HD1 PHE 89 HD1 PHE 89 -2.955 -1.215 -1.912
700 HD2 PHE 89 HD2 PHE 89 -5.380 -4.692 -2.276
701 HE1 PHE 89 HE1 PHE 89 -0.982 -2.629 -1.510
702 HE2 PHE 89 HE2 PHE 89 -3.412 -6.112 -1.873
703 HZ PHE 89 HZ PHE 89 -1.209 -5.080 -1.488
704 H SER 90 H SER 90 -7.921 -2.587 -4.460
705 HA SER 90 HA SER 90 -9.306 0.012 -4.367
706 1HB SER 90 2HB SER 90 -9.359 -0.551 -6.637
707 2HB SER 90 1HB SER 90 -9.565 -2.271 -6.303
708 HG SER 90 HG SER 90 -11.462 -0.194 -6.174
709 H PHE 91 H PHE 91 -11.088 0.171 -3.146
710 HA PHE 91 HA PHE 91 -12.211 -2.306 -2.012
711 1HB PHE 91 2HB PHE 91 -11.829 0.324 -0.566
712 2HB PHE 91 1HB PHE 91 -12.549 -1.133 0.111
713 HD1 PHE 91 HD1 PHE 91 -9.404 -0.133 -1.641
714 HD2 PHE 91 HD2 PHE 91 -11.215 -2.391 1.478
715 HE1 PHE 91 HE1 PHE 91 -7.184 -0.878 -0.897
716 HE2 PHE 91 HE2 PHE 91 -8.994 -3.140 2.229
717 HZ PHE 91 HZ PHE 91 -6.974 -2.384 1.041
718 H ASN 92 H ASN 92 -14.401 -2.468 -1.992
719 HA ASN 92 HA ASN 92 -15.874 -0.288 -3.266
720 1HB ASN 92 2HB ASN 92 -16.800 -3.104 -2.693
721 2HB ASN 92 1HB ASN 92 -17.621 -1.906 -3.690
722 1HD2 ASN 92 1HD2 ASN 92 -16.893 -4.469 -4.562
723 2HD2 ASN 92 2HD2 ASN 92 -15.714 -4.301 -5.813
724 H ASN 93 H ASN 93 -15.019 -0.416 -0.372
725 HA ASN 93 HA ASN 93 -17.607 0.348 0.727
726 1HB ASN 93 2HB ASN 93 -15.772 -1.653 2.067
727 2HB ASN 93 1HB ASN 93 -17.199 -0.933 2.807
728 1HD2 ASN 93 1HD2 ASN 93 -16.251 -3.708 1.746
729 2HD2 ASN 93 2HD2 ASN 93 -17.664 -4.300 0.946
730 H ARG 94 H ARG 94 -17.208 2.421 1.180
731 HA ARG 94 HA ARG 94 -14.765 3.601 1.678
732 1HB ARG 94 2HB ARG 94 -17.554 4.390 2.477
733 2HB ARG 94 1HB ARG 94 -16.166 5.396 2.871
734 1HG ARG 94 2HG ARG 94 -16.640 6.371 0.908
735 2HG ARG 94 1HG ARG 94 -15.745 5.007 0.237
736 1HD ARG 94 2HD ARG 94 -17.803 3.791 -0.131
737 2HD ARG 94 1HD ARG 94 -18.732 5.074 0.644
738 HE ARG 94 HE ARG 94 -17.254 6.119 -1.524
739 1HH1 ARG 94 1HH1 ARG 94 -20.043 4.138 -0.832
740 2HH1 ARG 94 2HH1 ARG 94 -20.854 4.546 -2.306
741 1HH2 ARG 94 1HH2 ARG 94 -18.319 6.656 -3.464
742 2HH2 ARG 94 2HH2 ARG 94 -19.874 5.975 -3.801
743 H THR 95 H THR 95 -16.840 1.866 3.848
744 HA THR 95 HA THR 95 -15.608 2.741 6.250
745 HB THR 95 HB THR 95 -17.029 0.209 6.274
746 HG1 THR 95 HG1 THR 95 -18.308 2.517 5.270
747 1HG2 THR 95 1HG2 THR 95 -17.698 2.826 7.551
748 2HG2 THR 95 2HG2 THR 95 -16.655 1.600 8.269
749 3HG2 THR 95 3HG2 THR 95 -18.356 1.245 7.969
750 H VAL 96 H VAL 96 -15.611 -0.362 4.487
751 HA VAL 96 HA VAL 96 -13.781 -1.714 6.071
752 HB VAL 96 HB VAL 96 -14.079 -1.978 3.073
753 1HG1 VAL 96 1HG1 VAL 96 -13.140 -4.020 5.083
754 2HG1 VAL 96 2HG1 VAL 96 -12.068 -3.062 4.063
755 3HG1 VAL 96 3HG1 VAL 96 -13.202 -4.197 3.330
756 1HG2 VAL 96 1HG2 VAL 96 -15.577 -3.298 5.333
757 2HG2 VAL 96 2HG2 VAL 96 -15.657 -3.811 3.647
758 3HG2 VAL 96 3HG2 VAL 96 -16.234 -2.210 4.112
759 H MET 97 H MET 97 -13.168 0.320 3.222
760 HA MET 97 HA MET 97 -10.373 -0.012 3.188
761 1HB MET 97 2HB MET 97 -10.421 2.208 1.936
762 2HB MET 97 1HB MET 97 -11.341 0.885 1.236
763 1HG MET 97 2HG MET 97 -13.155 2.140 1.236
764 2HG MET 97 1HG MET 97 -13.060 2.285 2.989
765 1HE MET 97 1HE MET 97 -10.824 3.205 0.190
766 2HE MET 97 2HE MET 97 -10.389 4.893 0.460
767 3HE MET 97 3HE MET 97 -11.849 4.493 -0.446
768 H ASP 98 H ASP 98 -12.491 2.186 4.929
769 HA ASP 98 HA ASP 98 -10.480 3.916 5.896
770 1HB ASP 98 2HB ASP 98 -12.917 4.446 5.895
771 2HB ASP 98 1HB ASP 98 -13.138 3.268 7.185
772 H ASN 99 H ASN 99 -11.726 0.855 6.970
773 HA ASN 99 HA ASN 99 -10.592 0.874 9.567
774 1HB ASN 99 2HB ASN 99 -11.320 -1.468 7.790
775 2HB ASN 99 1HB ASN 99 -10.942 -1.577 9.509
776 1HD2 ASN 99 1HD2 ASN 99 -13.388 -2.209 7.958
777 2HD2 ASN 99 2HD2 ASN 99 -14.654 -1.326 8.733
778 H ILE 100 H ILE 100 -9.463 -0.251 6.421
779 HA ILE 100 HA ILE 100 -7.050 -1.426 7.320
780 HB ILE 100 HB ILE 100 -7.629 -0.230 4.605
781 1HG1 ILE 100 2HG1 ILE 100 -9.302 -1.934 5.377
782 2HG1 ILE 100 1HG1 ILE 100 -8.419 -2.392 3.926
783 1HG2 ILE 100 1HG2 ILE 100 -5.977 -2.099 3.946
784 2HG2 ILE 100 2HG2 ILE 100 -5.496 -2.055 5.643
785 3HG2 ILE 100 3HG2 ILE 100 -5.340 -0.608 4.644
786 1HD1 ILE 100 1HD1 ILE 100 -8.568 -4.311 5.300
787 2HD1 ILE 100 2HD1 ILE 100 -8.016 -3.412 6.722
788 3HD1 ILE 100 3HD1 ILE 100 -6.900 -3.737 5.391
789 H LYS 101 H LYS 101 -7.783 1.760 5.930
790 HA LYS 101 HA LYS 101 -5.145 2.752 6.130
791 1HB LYS 101 2HB LYS 101 -5.990 4.774 5.369
792 2HB LYS 101 1HB LYS 101 -7.165 3.627 4.740
793 1HG LYS 101 2HG LYS 101 -8.648 4.141 6.631
794 2HG LYS 101 1HG LYS 101 -7.480 5.334 7.202
795 1HD LYS 101 2HD LYS 101 -7.717 6.284 4.776
796 2HD LYS 101 1HD LYS 101 -9.244 5.400 4.793
797 1HE LYS 101 2HE LYS 101 -10.115 7.207 5.767
798 2HE LYS 101 1HE LYS 101 -9.249 6.704 7.217
799 1HZ LYS 101 1HZ LYS 101 -8.254 8.593 5.151
800 2HZ LYS 101 2HZ LYS 101 -7.369 8.073 6.495
801 3HZ LYS 101 3HZ LYS 101 -8.770 8.996 6.711
802 H MET 102 H MET 102 -7.763 2.495 8.362
803 HA MET 102 HA MET 102 -6.709 4.380 10.259
804 1HB MET 102 2HB MET 102 -9.011 2.479 10.194
805 2HB MET 102 1HB MET 102 -8.451 3.062 11.756
806 1HG MET 102 2HG MET 102 -8.707 5.391 10.874
807 2HG MET 102 1HG MET 102 -9.485 4.694 9.454
808 1HE MET 102 1HE MET 102 -12.678 3.049 10.954
809 2HE MET 102 2HE MET 102 -11.128 2.206 10.953
810 3HE MET 102 3HE MET 102 -11.600 3.188 9.564
811 H THR 103 H THR 103 -6.705 0.877 9.827
812 HA THR 103 HA THR 103 -5.304 0.426 12.306
813 HB THR 103 HB THR 103 -6.719 -1.153 10.382
814 HG1 THR 103 HG1 THR 103 -5.647 -1.757 12.936
815 1HG2 THR 103 1HG2 THR 103 -5.337 -3.181 10.505
816 2HG2 THR 103 2HG2 THR 103 -4.022 -2.195 11.152
817 3HG2 THR 103 3HG2 THR 103 -4.626 -1.899 9.522
818 H LEU 104 H LEU 104 -4.497 0.805 8.928
819 HA LEU 104 HA LEU 104 -1.862 -0.200 9.067
820 1HB LEU 104 2HB LEU 104 -3.393 1.508 7.172
821 2HB LEU 104 1HB LEU 104 -1.644 1.516 7.045
822 HG LEU 104 HG LEU 104 -3.346 -0.974 6.909
823 1HD1 LEU 104 1HD1 LEU 104 -1.945 0.327 4.599
824 2HD1 LEU 104 2HD1 LEU 104 -3.604 0.744 5.028
825 3HD1 LEU 104 3HD1 LEU 104 -3.197 -0.915 4.580
826 1HD2 LEU 104 1HD2 LEU 104 -0.627 -0.920 5.796
827 2HD2 LEU 104 2HD2 LEU 104 -1.451 -2.171 6.726
828 3HD2 LEU 104 3HD2 LEU 104 -0.720 -0.796 7.552
829 H GLN 105 H GLN 105 -3.255 2.998 9.576
830 HA GLN 105 HA GLN 105 -0.846 4.429 9.780
831 1HB GLN 105 2HB GLN 105 -3.671 4.898 10.389
832 2HB GLN 105 1HB GLN 105 -2.573 5.769 11.451
833 1HG GLN 105 2HG GLN 105 -1.448 6.694 9.452
834 2HG GLN 105 1HG GLN 105 -2.661 5.903 8.447
835 1HE2 GLN 105 1HE2 GLN 105 -1.834 8.777 9.568
836 2HE2 GLN 105 2HE2 GLN 105 -3.383 9.522 9.755
837 H GLN 106 H GLN 106 -2.507 2.357 11.985
838 HA GLN 106 HA GLN 106 -1.262 3.268 14.373
839 1HB GLN 106 2HB GLN 106 -2.545 0.612 13.708
840 2HB GLN 106 1HB GLN 106 -2.049 1.106 15.321
841 1HG GLN 106 2HG GLN 106 -3.632 2.944 15.269
842 2HG GLN 106 1HG GLN 106 -4.104 2.507 13.627
843 1HE2 GLN 106 1HE2 GLN 106 -6.057 2.681 15.419
844 2HE2 GLN 106 2HE2 GLN 106 -6.637 1.119 15.875
845 H ILE 107 H ILE 107 -0.555 0.645 12.094
846 HA ILE 107 HA ILE 107 1.596 -0.477 13.505
847 HB ILE 107 HB ILE 107 1.185 -0.437 10.512
848 1HG1 ILE 107 2HG1 ILE 107 0.487 -2.878 11.960
849 2HG1 ILE 107 1HG1 ILE 107 -0.498 -1.500 12.438
850 1HG2 ILE 107 1HG2 ILE 107 3.429 -1.110 11.085
851 2HG2 ILE 107 2HG2 ILE 107 2.511 -2.520 10.554
852 3HG2 ILE 107 3HG2 ILE 107 2.815 -2.261 12.272
853 1HD1 ILE 107 1HD1 ILE 107 -1.682 -1.607 10.573
854 2HD1 ILE 107 2HD1 ILE 107 -0.882 -3.145 10.248
855 3HD1 ILE 107 3HD1 ILE 107 -0.232 -1.651 9.572
856 H ILE 108 H ILE 108 1.562 1.993 10.951
857 HA ILE 108 HA ILE 108 4.330 2.354 10.736
858 HB ILE 108 HB ILE 108 2.462 4.695 10.585
859 1HG1 ILE 108 2HG1 ILE 108 2.823 2.969 8.180
860 2HG1 ILE 108 1HG1 ILE 108 1.636 2.492 9.387
861 1HG2 ILE 108 1HG2 ILE 108 5.131 4.405 10.076
862 2HG2 ILE 108 2HG2 ILE 108 4.101 5.692 9.454
863 3HG2 ILE 108 3HG2 ILE 108 4.420 4.266 8.467
864 1HD1 ILE 108 1HD1 ILE 108 0.921 5.023 9.134
865 2HD1 ILE 108 2HD1 ILE 108 0.307 3.755 8.069
866 3HD1 ILE 108 3HD1 ILE 108 1.633 4.790 7.536
867 H SER 109 H SER 109 2.001 4.275 12.490
868 HA SER 109 HA SER 109 3.673 5.909 13.926
869 1HB SER 109 2HB SER 109 1.098 4.702 14.953
870 2HB SER 109 1HB SER 109 1.862 6.178 15.543
871 HG SER 109 HG SER 109 1.127 7.237 13.865
872 H ARG 110 H ARG 110 3.003 2.540 14.468
873 HA ARG 110 HA ARG 110 4.002 2.415 17.126
874 1HB ARG 110 2HB ARG 110 3.455 0.370 15.008
875 2HB ARG 110 1HB ARG 110 4.312 -0.089 16.470
876 1HG ARG 110 2HG ARG 110 2.461 0.460 17.835
877 2HG ARG 110 1HG ARG 110 1.631 1.264 16.502
878 1HD ARG 110 2HD ARG 110 1.863 -1.107 15.376
879 2HD ARG 110 1HD ARG 110 1.983 -1.642 17.052
880 HE ARG 110 HE ARG 110 -0.369 -0.767 15.699
881 1HH1 ARG 110 1HH1 ARG 110 1.193 -0.845 18.820
882 2HH1 ARG 110 2HH1 ARG 110 -0.293 -0.770 19.704
883 1HH2 ARG 110 1HH2 ARG 110 -2.324 -0.669 16.862
884 2HH2 ARG 110 2HH2 ARG 110 -2.290 -0.671 18.593
885 H TYR 111 H TYR 111 5.455 2.222 13.975
886 HA TYR 111 HA TYR 111 8.033 1.446 15.077
887 1HB TYR 111 2HB TYR 111 7.086 1.939 12.252
888 2HB TYR 111 1HB TYR 111 8.763 1.579 12.657
889 HD1 TYR 111 HD1 TYR 111 5.489 0.214 12.062
890 HD2 TYR 111 HD2 TYR 111 9.295 -0.626 13.766
891 HE1 TYR 111 HE1 TYR 111 4.972 -2.189 12.013
892 HE2 TYR 111 HE2 TYR 111 8.793 -3.033 13.714
893 HH TYR 111 HH TYR 111 6.819 -4.464 11.978
894 H LYS 112 H LYS 112 6.382 4.285 13.921
895 HA LYS 112 HA LYS 112 8.655 5.924 13.523
896 1HB LYS 112 2HB LYS 112 5.736 6.323 13.748
897 2HB LYS 112 1HB LYS 112 6.725 7.713 14.171
898 1HG LYS 112 2HG LYS 112 6.817 8.191 12.010
899 2HG LYS 112 1HG LYS 112 7.829 6.760 11.804
900 1HD LYS 112 2HD LYS 112 6.125 6.398 10.276
901 2HD LYS 112 1HD LYS 112 5.575 5.488 11.684
902 1HE LYS 112 2HE LYS 112 3.654 6.617 11.304
903 2HE LYS 112 1HE LYS 112 4.472 7.871 12.232
904 1HZ LYS 112 1HZ LYS 112 3.548 8.804 10.236
905 2HZ LYS 112 2HZ LYS 112 4.351 7.670 9.272
906 3HZ LYS 112 3HZ LYS 112 5.236 8.834 10.122
907 H ASP 113 H ASP 113 6.623 5.228 16.311
908 HA ASP 113 HA ASP 113 7.635 7.188 18.048
909 1HB ASP 113 2HB ASP 113 6.363 4.499 18.552
910 2HB ASP 113 1HB ASP 113 6.827 5.585 19.858
911 H ALA 114 H ALA 114 8.737 3.937 17.275
912 HA ALA 114 HA ALA 114 10.665 3.694 19.314
913 1HB ALA 114 1HB ALA 114 11.154 1.708 18.370
914 2HB ALA 114 2HB ALA 114 11.264 2.387 16.745
915 3HB ALA 114 3HB ALA 114 9.687 2.019 17.442
916 H ASP 115 H ASP 115 10.742 5.204 16.153
917 HA ASP 115 HA ASP 115 13.571 5.896 16.555
918 1HB ASP 115 2HB ASP 115 11.872 5.900 14.054
919 2HB ASP 115 1HB ASP 115 13.525 6.499 14.122
920 H LEU 45 1H LEU 45 -1.911 2.655 -19.641
921 HA LEU 45 HA LEU 45 -2.083 4.890 -18.800
922 1HB LEU 45 2HB LEU 45 -3.566 3.491 -16.572
923 2HB LEU 45 1HB LEU 45 -3.014 5.154 -16.510
924 HG LEU 45 HG LEU 45 -5.101 4.022 -18.373
925 1HD1 LEU 45 1HD1 LEU 45 -5.176 5.728 -15.918
926 2HD1 LEU 45 2HD1 LEU 45 -6.155 4.322 -16.335
927 3HD1 LEU 45 3HD1 LEU 45 -6.437 5.863 -17.143
928 1HD2 LEU 45 1HD2 LEU 45 -3.538 6.525 -18.439
929 2HD2 LEU 45 2HD2 LEU 45 -5.276 6.681 -18.697
930 3HD2 LEU 45 3HD2 LEU 45 -4.318 5.636 -19.747
931 H SER 46 H SER 46 -1.033 5.474 -16.463
932 HA SER 46 HA SER 46 1.039 3.445 -15.950
933 1HB SER 46 2HB SER 46 1.553 5.747 -17.275
934 2HB SER 46 1HB SER 46 1.805 6.283 -15.614
935 HG SER 46 HG SER 46 3.236 4.439 -17.134
936 HA PRO 47 HA PRO 47 0.315 3.636 -11.617
937 1HB PRO 47 2HB PRO 47 3.163 4.458 -11.299
938 2HB PRO 47 1HB PRO 47 2.275 3.149 -10.509
939 1HG PRO 47 2HG PRO 47 3.992 2.619 -12.468
940 2HG PRO 47 1HG PRO 47 2.457 1.740 -12.345
941 1HD PRO 47 2HD PRO 47 3.249 3.919 -14.223
942 2HD PRO 47 1HD PRO 47 2.204 2.512 -14.501
943 H ASP 48 H ASP 48 2.353 6.265 -12.862
944 HA ASP 48 HA ASP 48 1.942 8.096 -10.793
945 1HB ASP 48 2HB ASP 48 2.491 8.550 -13.731
946 2HB ASP 48 1HB ASP 48 2.516 9.831 -12.523
947 H ASP 49 H ASP 49 -0.101 7.153 -13.437
948 HA ASP 49 HA ASP 49 -1.815 9.389 -13.481
949 1HB ASP 49 2HB ASP 49 -2.387 6.509 -14.209
950 2HB ASP 49 1HB ASP 49 -3.419 7.877 -14.610
951 H ILE 50 H ILE 50 -1.923 6.350 -11.673
952 HA ILE 50 HA ILE 50 -4.426 6.811 -10.446
953 HB ILE 50 HB ILE 50 -2.173 5.123 -9.364
954 1HG1 ILE 50 2HG1 ILE 50 -2.623 4.481 -11.668
955 2HG1 ILE 50 1HG1 ILE 50 -3.259 3.253 -10.578
956 1HG2 ILE 50 1HG2 ILE 50 -5.157 4.929 -8.971
957 2HG2 ILE 50 2HG2 ILE 50 -4.007 5.565 -7.794
958 3HG2 ILE 50 3HG2 ILE 50 -3.939 3.866 -8.265
959 1HD1 ILE 50 1HD1 ILE 50 -4.896 3.538 -12.220
960 2HD1 ILE 50 2HD1 ILE 50 -4.764 5.297 -12.168
961 3HD1 ILE 50 3HD1 ILE 50 -5.498 4.428 -10.821
962 H GLU 51 H GLU 51 -1.252 7.974 -9.793
963 HA GLU 51 HA GLU 51 -1.513 8.571 -7.054
964 1HB GLU 51 2HB GLU 51 0.166 9.886 -9.195
965 2HB GLU 51 1HB GLU 51 0.327 10.208 -7.474
966 1HG GLU 51 2HG GLU 51 0.751 7.547 -8.814
967 2HG GLU 51 1HG GLU 51 2.015 8.642 -8.259
968 H GLN 52 H GLN 52 -2.474 10.288 -9.959
969 HA GLN 52 HA GLN 52 -3.076 12.757 -8.691
970 1HB GLN 52 2HB GLN 52 -3.170 11.672 -11.338
971 2HB GLN 52 1HB GLN 52 -4.709 12.451 -10.992
972 1HG GLN 52 2HG GLN 52 -3.437 14.477 -10.288
973 2HG GLN 52 1HG GLN 52 -1.970 13.686 -10.863
974 1HE2 GLN 52 1HE2 GLN 52 -2.877 12.473 -13.147
975 2HE2 GLN 52 2HE2 GLN 52 -3.340 13.674 -14.298
976 H TRP 53 H TRP 53 -4.842 9.788 -9.175
977 HA TRP 53 HA TRP 53 -7.456 10.657 -8.794
978 1HB TRP 53 2HB TRP 53 -6.093 8.067 -8.072
979 2HB TRP 53 1HB TRP 53 -7.818 8.321 -7.832
980 HD1 TRP 53 HD1 TRP 53 -5.638 9.258 -10.907
981 HE1 TRP 53 HE1 TRP 53 -6.695 8.166 -12.984
982 HE3 TRP 53 HE3 TRP 53 -9.444 6.710 -8.637
983 HZ2 TRP 53 HZ2 TRP 53 -8.856 6.451 -13.579
984 HZ3 TRP 53 HZ3 TRP 53 -10.961 5.368 -10.031
985 HH2 TRP 53 HH2 TRP 53 -10.673 5.242 -12.453
986 H PHE 54 H PHE 54 -4.880 10.146 -6.490
987 HA PHE 54 HA PHE 54 -6.651 10.506 -4.215
988 1HB PHE 54 2HB PHE 54 -3.671 10.051 -4.425
989 2HB PHE 54 1HB PHE 54 -4.517 10.284 -2.898
990 HD1 PHE 54 HD1 PHE 54 -5.788 8.537 -1.912
991 HD2 PHE 54 HD2 PHE 54 -4.127 8.054 -5.800
992 HE1 PHE 54 HE1 PHE 54 -6.295 6.131 -1.825
993 HE2 PHE 54 HE2 PHE 54 -4.630 5.647 -5.721
994 HZ PHE 54 HZ PHE 54 -5.716 4.683 -3.731
995 H THR 55 H THR 55 -4.490 12.366 -6.188
996 HA THR 55 HA THR 55 -4.112 14.492 -4.320
997 HB THR 55 HB THR 55 -3.255 13.827 -7.007
998 HG1 THR 55 HG1 THR 55 -2.190 15.403 -4.916
999 1HG2 THR 55 1HG2 THR 55 -4.306 15.734 -7.846
1000 2HG2 THR 55 2HG2 THR 55 -2.644 16.231 -7.524
1001 3HG2 THR 55 3HG2 THR 55 -3.932 16.673 -6.403
1002 H GLU 56 H GLU 56 -6.397 13.762 -6.864
1003 HA GLU 56 HA GLU 56 -7.567 16.374 -6.935
1004 1HB GLU 56 2HB GLU 56 -8.598 13.712 -7.938
1005 2HB GLU 56 1HB GLU 56 -9.347 15.268 -8.270
1006 1HG GLU 56 2HG GLU 56 -7.290 15.991 -9.408
1007 2HG GLU 56 1HG GLU 56 -6.595 14.397 -9.119
1008 H ASP 57 H ASP 57 -9.289 17.165 -5.845
1009 HA ASP 57 HA ASP 57 -10.914 15.393 -4.203
1010 1HB ASP 57 2HB ASP 57 -9.145 17.566 -3.097
1011 2HB ASP 57 1HB ASP 57 -10.586 17.027 -2.241
1012 HA PRO 58 HA PRO 58 -14.342 17.989 -5.111
1013 1HB PRO 58 2HB PRO 58 -14.711 18.433 -2.186
1014 2HB PRO 58 1HB PRO 58 -15.870 17.868 -3.394
1015 1HG PRO 58 2HG PRO 58 -14.773 16.163 -1.671
1016 2HG PRO 58 1HG PRO 58 -15.052 15.698 -3.360
1017 1HD PRO 58 2HD PRO 58 -12.506 16.444 -1.993
1018 2HD PRO 58 1HD PRO 58 -12.793 15.249 -3.274
Start of MODEL 3
1 HT1 PRO 1 HT2 PRO 1 -13.830 -5.897 8.905
2 HT2 PRO 1 HT1 PRO 1 -13.342 -6.430 10.450
3 HA PRO 1 HA PRO 1 -13.039 -3.951 9.251
4 1HB PRO 1 2HB PRO 1 -13.968 -3.045 11.713
5 2HB PRO 1 1HB PRO 1 -14.792 -2.858 10.160
6 1HG PRO 1 2HG PRO 1 -15.243 -4.865 12.312
7 2HG PRO 1 1HG PRO 1 -16.410 -4.120 11.207
8 1HD PRO 1 2HD PRO 1 -15.527 -6.670 10.902
9 2HD PRO 1 1HD PRO 1 -15.976 -5.647 9.522
10 H SER 2 H SER 2 -11.367 -2.788 10.347
11 HA SER 2 HA SER 2 -9.421 -2.602 11.509
12 1HB SER 2 2HB SER 2 -11.154 -2.815 13.419
13 2HB SER 2 1HB SER 2 -10.535 -4.456 13.600
14 HG SER 2 HG SER 2 -9.352 -2.031 14.211
15 H HIS 3 H HIS 3 -7.677 -3.532 10.687
16 HA HIS 3 HA HIS 3 -6.101 -5.072 10.138
17 1HB HIS 3 2HB HIS 3 -7.500 -6.814 12.179
18 2HB HIS 3 1HB HIS 3 -5.879 -7.067 11.534
19 HD1 HIS 3 HD1 HIS 3 -7.815 -4.856 13.858
20 HD2 HIS 3 HD2 HIS 3 -3.891 -5.460 12.633
21 HE1 HIS 3 HE1 HIS 3 -6.408 -3.495 15.431
22 HE2 HIS 3 HE2 HIS 3 -4.040 -3.811 14.624
23 H SER 4 H SER 4 -8.555 -4.903 8.693
24 HA SER 4 HA SER 4 -8.247 -6.958 6.879
25 1HB SER 4 2HB SER 4 -10.305 -8.293 7.210
26 2HB SER 4 1HB SER 4 -9.161 -8.480 8.544
27 HG SER 4 HG SER 4 -11.600 -7.079 8.477
28 H GLY 5 H GLY 5 -9.931 -6.976 5.199
29 1HA GLY 5 2HA GLY 5 -12.158 -5.436 5.011
30 2HA GLY 5 1HA GLY 5 -10.855 -4.290 4.738
31 H ALA 6 H ALA 6 -12.989 -6.300 3.290
32 HA ALA 6 HA ALA 6 -11.734 -7.625 1.279
33 1HB ALA 6 1HB ALA 6 -14.324 -6.124 1.193
34 2HB ALA 6 2HB ALA 6 -14.067 -7.832 1.557
35 3HB ALA 6 3HB ALA 6 -13.783 -7.225 -0.077
36 H ALA 7 H ALA 7 -10.034 -6.870 0.215
37 HA ALA 7 HA ALA 7 -10.287 -4.268 -1.160
38 1HB ALA 7 1HB ALA 7 -8.516 -4.650 0.728
39 2HB ALA 7 2HB ALA 7 -8.072 -3.786 -0.746
40 3HB ALA 7 3HB ALA 7 -7.630 -5.483 -0.553
41 H ILE 8 H ILE 8 -9.377 -4.072 -3.267
42 HA ILE 8 HA ILE 8 -9.264 -6.628 -4.694
43 HB ILE 8 HB ILE 8 -9.983 -3.861 -5.535
44 1HG1 ILE 8 2HG1 ILE 8 -11.366 -5.916 -6.918
45 2HG1 ILE 8 1HG1 ILE 8 -11.237 -6.411 -5.233
46 1HG2 ILE 8 1HG2 ILE 8 -9.895 -4.977 -7.945
47 2HG2 ILE 8 2HG2 ILE 8 -8.499 -5.777 -7.223
48 3HG2 ILE 8 3HG2 ILE 8 -8.570 -4.018 -7.288
49 1HD1 ILE 8 1HD1 ILE 8 -12.132 -4.163 -4.620
50 2HD1 ILE 8 2HD1 ILE 8 -13.252 -5.246 -5.446
51 3HD1 ILE 8 3HD1 ILE 8 -12.482 -3.928 -6.331
52 H PHE 9 H PHE 9 -7.426 -7.403 -5.396
53 HA PHE 9 HA PHE 9 -5.102 -5.580 -5.513
54 1HB PHE 9 2HB PHE 9 -5.079 -7.471 -3.800
55 2HB PHE 9 1HB PHE 9 -4.933 -8.568 -5.169
56 HD1 PHE 9 HD1 PHE 9 -2.796 -9.398 -5.270
57 HD2 PHE 9 HD2 PHE 9 -3.369 -5.275 -4.385
58 HE1 PHE 9 HE1 PHE 9 -0.359 -9.060 -5.286
59 HE2 PHE 9 HE2 PHE 9 -0.932 -4.927 -4.400
60 HZ PHE 9 HZ PHE 9 0.575 -6.823 -4.851
61 H GLU 10 H GLU 10 -4.066 -5.326 -7.385
62 HA GLU 10 HA GLU 10 -3.572 -5.484 -9.603
63 1HB GLU 10 2HB GLU 10 -4.038 -8.436 -9.190
64 2HB GLU 10 1HB GLU 10 -3.105 -7.692 -10.482
65 1HG GLU 10 2HG GLU 10 -1.523 -6.834 -8.801
66 2HG GLU 10 1HG GLU 10 -2.436 -7.674 -7.549
67 H LYS 11 H LYS 11 -6.309 -4.975 -8.884
68 HA LYS 11 HA LYS 11 -8.251 -4.618 -10.031
69 1HB LYS 11 2HB LYS 11 -7.223 -6.378 -12.257
70 2HB LYS 11 1HB LYS 11 -8.476 -5.149 -12.343
71 1HG LYS 11 2HG LYS 11 -6.758 -3.428 -11.882
72 2HG LYS 11 1HG LYS 11 -5.528 -4.692 -11.945
73 1HD LYS 11 2HD LYS 11 -6.273 -5.221 -14.257
74 2HD LYS 11 1HD LYS 11 -7.373 -3.841 -14.177
75 1HE LYS 11 2HE LYS 11 -4.389 -3.657 -13.788
76 2HE LYS 11 1HE LYS 11 -5.204 -3.373 -15.326
77 1HZ LYS 11 1HZ LYS 11 -5.993 -1.390 -14.642
78 2HZ LYS 11 2HZ LYS 11 -4.667 -1.445 -13.594
79 3HZ LYS 11 3HZ LYS 11 -6.203 -1.880 -13.037
80 H VAL 12 H VAL 12 -7.128 -7.394 -8.784
81 HA VAL 12 HA VAL 12 -9.504 -8.974 -9.423
82 HB VAL 12 HB VAL 12 -6.870 -9.730 -8.163
83 1HG1 VAL 12 1HG1 VAL 12 -7.808 -12.044 -8.018
84 2HG1 VAL 12 2HG1 VAL 12 -9.405 -11.360 -8.333
85 3HG1 VAL 12 3HG1 VAL 12 -8.523 -10.906 -6.875
86 1HG2 VAL 12 1HG2 VAL 12 -8.352 -10.535 -10.641
87 2HG2 VAL 12 2HG2 VAL 12 -6.897 -11.351 -10.061
88 3HG2 VAL 12 3HG2 VAL 12 -6.825 -9.652 -10.540
89 H SER 13 H SER 13 -10.665 -9.960 -7.691
90 HA SER 13 HA SER 13 -10.770 -8.130 -5.410
91 1HB SER 13 2HB SER 13 -12.995 -9.004 -4.993
92 2HB SER 13 1HB SER 13 -12.831 -8.449 -6.657
93 HG SER 13 HG SER 13 -13.579 -10.840 -5.807
94 H GLY 14 H GLY 14 -10.896 -8.775 -3.309
95 1HA GLY 14 2HA GLY 14 -10.860 -11.358 -2.276
96 2HA GLY 14 1HA GLY 14 -9.184 -10.873 -2.526
97 H ILE 15 H ILE 15 -9.601 -11.275 0.014
98 HA ILE 15 HA ILE 15 -10.358 -8.674 1.131
99 HB ILE 15 HB ILE 15 -10.196 -11.344 2.534
100 1HG1 ILE 15 2HG1 ILE 15 -12.432 -11.514 2.297
101 2HG1 ILE 15 1HG1 ILE 15 -12.679 -9.843 2.784
102 1HG2 ILE 15 1HG2 ILE 15 -10.815 -8.607 3.652
103 2HG2 ILE 15 2HG2 ILE 15 -9.404 -9.609 4.037
104 3HG2 ILE 15 3HG2 ILE 15 -11.018 -10.126 4.528
105 1HD1 ILE 15 1HD1 ILE 15 -13.609 -10.119 0.629
106 2HD1 ILE 15 2HD1 ILE 15 -12.143 -10.885 0.020
107 3HD1 ILE 15 3HD1 ILE 15 -12.134 -9.173 0.445
108 H ILE 16 H ILE 16 -9.020 -7.537 2.404
109 HA ILE 16 HA ILE 16 -6.225 -8.440 2.405
110 HB ILE 16 HB ILE 16 -7.447 -5.938 1.723
111 1HG1 ILE 16 2HG1 ILE 16 -4.537 -6.738 1.902
112 2HG1 ILE 16 1HG1 ILE 16 -5.596 -7.013 0.522
113 1HG2 ILE 16 1HG2 ILE 16 -7.259 -5.237 4.001
114 2HG2 ILE 16 2HG2 ILE 16 -6.064 -4.387 3.027
115 3HG2 ILE 16 3HG2 ILE 16 -5.567 -5.731 4.058
116 1HD1 ILE 16 1HD1 ILE 16 -5.388 -4.226 1.444
117 2HD1 ILE 16 2HD1 ILE 16 -5.435 -4.888 -0.192
118 3HD1 ILE 16 3HD1 ILE 16 -3.933 -4.925 0.731
119 H ALA 17 H ALA 17 -5.524 -9.160 4.294
120 HA ALA 17 HA ALA 17 -6.764 -8.090 6.740
121 1HB ALA 17 1HB ALA 17 -6.667 -10.229 7.746
122 2HB ALA 17 2HB ALA 17 -5.671 -10.874 6.442
123 3HB ALA 17 3HB ALA 17 -7.361 -10.455 6.137
124 H ILE 18 H ILE 18 -5.490 -7.269 8.239
125 HA ILE 18 HA ILE 18 -2.588 -7.452 7.839
126 HB ILE 18 HB ILE 18 -4.269 -5.377 9.246
127 1HG1 ILE 18 2HG1 ILE 18 -2.463 -5.070 6.847
128 2HG1 ILE 18 1HG1 ILE 18 -4.180 -5.434 6.710
129 1HG2 ILE 18 1HG2 ILE 18 -1.725 -4.345 9.012
130 2HG2 ILE 18 2HG2 ILE 18 -1.449 -6.011 9.524
131 3HG2 ILE 18 3HG2 ILE 18 -2.477 -4.949 10.489
132 1HD1 ILE 18 1HD1 ILE 18 -4.751 -3.352 7.756
133 2HD1 ILE 18 2HD1 ILE 18 -3.651 -3.050 6.412
134 3HD1 ILE 18 3HD1 ILE 18 -3.053 -3.003 8.069
135 H ASN 19 H ASN 19 -1.250 -8.142 9.436
136 HA ASN 19 HA ASN 19 -2.456 -8.844 12.026
137 1HB ASN 19 2HB ASN 19 -0.681 -10.585 10.311
138 2HB ASN 19 1HB ASN 19 -1.021 -10.916 12.007
139 1HD2 ASN 19 1HD2 ASN 19 -1.671 -12.867 10.423
140 2HD2 ASN 19 2HD2 ASN 19 -3.371 -12.946 10.127
141 H GLU 20 H GLU 20 -1.443 -7.795 13.587
142 HA GLU 20 HA GLU 20 1.298 -6.886 13.178
143 1HB GLU 20 2HB GLU 20 -0.657 -6.247 15.392
144 2HB GLU 20 1HB GLU 20 0.922 -5.506 15.178
145 1HG GLU 20 2HG GLU 20 0.182 -4.595 13.021
146 2HG GLU 20 1HG GLU 20 -1.410 -5.301 13.287
147 H ASP 21 H ASP 21 0.022 -9.651 14.211
148 HA ASP 21 HA ASP 21 1.452 -10.027 16.678
149 1HB ASP 21 2HB ASP 21 0.027 -11.971 14.851
150 2HB ASP 21 1HB ASP 21 0.730 -12.406 16.406
151 H VAL 22 H VAL 22 2.175 -10.203 13.352
152 HA VAL 22 HA VAL 22 4.467 -11.960 13.790
153 HB VAL 22 HB VAL 22 4.610 -11.389 11.160
154 1HG1 VAL 22 1HG1 VAL 22 4.633 -13.614 12.022
155 2HG1 VAL 22 2HG1 VAL 22 3.376 -13.523 10.789
156 3HG1 VAL 22 3HG1 VAL 22 2.938 -13.501 12.498
157 1HG2 VAL 22 1HG2 VAL 22 2.452 -11.283 10.142
158 2HG2 VAL 22 2HG2 VAL 22 2.563 -9.969 11.312
159 3HG2 VAL 22 3HG2 VAL 22 1.650 -11.426 11.706
160 H SER 23 H SER 23 6.564 -11.296 13.513
161 HA SER 23 HA SER 23 6.950 -8.400 13.174
162 1HB SER 23 2HB SER 23 7.678 -8.793 15.339
163 2HB SER 23 1HB SER 23 8.288 -10.402 14.954
164 HG SER 23 HG SER 23 10.117 -9.559 14.240
165 HA PRO 24 HA PRO 24 7.637 -7.005 12.146
166 1HB PRO 24 2HB PRO 24 7.776 -6.178 9.422
167 2HB PRO 24 1HB PRO 24 8.811 -5.676 10.756
168 1HG PRO 24 2HG PRO 24 9.617 -7.193 8.574
169 2HG PRO 24 1HG PRO 24 10.490 -7.048 10.108
170 1HD PRO 24 2HD PRO 24 8.718 -9.235 9.129
171 2HD PRO 24 1HD PRO 24 10.167 -9.324 10.152
172 H ALA 25 H ALA 25 5.540 -6.328 12.008
173 HA ALA 25 HA ALA 25 3.499 -7.975 11.256
174 1HB ALA 25 1HB ALA 25 3.465 -4.959 11.234
175 2HB ALA 25 2HB ALA 25 3.138 -6.002 12.618
176 3HB ALA 25 3HB ALA 25 2.037 -5.995 11.240
177 H GLU 26 H GLU 26 2.259 -8.354 9.448
178 HA GLU 26 HA GLU 26 3.007 -6.955 6.978
179 1HB GLU 26 2HB GLU 26 2.684 -9.951 7.143
180 2HB GLU 26 1HB GLU 26 3.175 -9.012 5.740
181 1HG GLU 26 2HG GLU 26 5.195 -8.303 7.056
182 2HG GLU 26 1HG GLU 26 4.725 -9.494 8.268
183 H LEU 27 H LEU 27 1.489 -7.467 5.171
184 HA LEU 27 HA LEU 27 -1.260 -7.841 6.165
185 1HB LEU 27 2HB LEU 27 -0.991 -5.528 5.622
186 2HB LEU 27 1HB LEU 27 -0.186 -5.911 4.113
187 HG LEU 27 HG LEU 27 -3.023 -6.768 4.537
188 1HD1 LEU 27 1HD1 LEU 27 -3.265 -4.440 3.143
189 2HD1 LEU 27 2HD1 LEU 27 -2.038 -4.019 4.337
190 3HD1 LEU 27 3HD1 LEU 27 -3.606 -4.631 4.864
191 1HD2 LEU 27 1HD2 LEU 27 -2.716 -5.936 1.959
192 2HD2 LEU 27 2HD2 LEU 27 -2.517 -7.598 2.514
193 3HD2 LEU 27 3HD2 LEU 27 -1.107 -6.556 2.330
194 H THR 28 H THR 28 -2.398 -9.413 5.175
195 HA THR 28 HA THR 28 -1.277 -10.519 2.685
196 HB THR 28 HB THR 28 -2.801 -11.989 4.840
197 HG1 THR 28 HG1 THR 28 -0.925 -12.540 5.638
198 1HG2 THR 28 1HG2 THR 28 -2.110 -14.017 3.714
199 2HG2 THR 28 2HG2 THR 28 -1.335 -13.069 2.446
200 3HG2 THR 28 3HG2 THR 28 -3.086 -13.013 2.643
201 H TRP 29 H TRP 29 -2.502 -10.496 0.953
202 HA TRP 29 HA TRP 29 -5.342 -9.866 1.187
203 1HB TRP 29 2HB TRP 29 -4.070 -8.355 -0.228
204 2HB TRP 29 1HB TRP 29 -3.405 -9.709 -1.136
205 HD1 TRP 29 HD1 TRP 29 -6.832 -8.102 -0.441
206 HE1 TRP 29 HE1 TRP 29 -8.303 -8.378 -2.542
207 HE3 TRP 29 HE3 TRP 29 -3.631 -10.881 -3.270
208 HZ2 TRP 29 HZ2 TRP 29 -8.112 -9.636 -5.071
209 HZ3 TRP 29 HZ3 TRP 29 -4.343 -11.590 -5.516
210 HH2 TRP 29 HH2 TRP 29 -6.536 -10.980 -6.396
211 H ARG 30 H ARG 30 -6.840 -11.371 0.712
212 HA ARG 30 HA ARG 30 -5.953 -13.774 -0.750
213 1HB ARG 30 2HB ARG 30 -6.252 -14.249 1.650
214 2HB ARG 30 1HB ARG 30 -7.914 -13.683 1.548
215 1HG ARG 30 2HG ARG 30 -8.644 -15.578 0.572
216 2HG ARG 30 1HG ARG 30 -7.158 -15.805 -0.350
217 1HD ARG 30 2HD ARG 30 -6.021 -16.614 1.633
218 2HD ARG 30 1HD ARG 30 -7.456 -16.306 2.610
219 HE ARG 30 HE ARG 30 -8.085 -18.046 0.475
220 1HH1 ARG 30 1HH1 ARG 30 -6.411 -17.983 3.536
221 2HH1 ARG 30 2HH1 ARG 30 -6.658 -19.669 3.847
222 1HH2 ARG 30 1HH2 ARG 30 -8.411 -20.262 0.883
223 2HH2 ARG 30 2HH2 ARG 30 -7.793 -20.963 2.341
224 H SER 31 H SER 31 -6.944 -13.937 -2.634
225 HA SER 31 HA SER 31 -8.967 -12.398 -3.624
226 1HB SER 31 2HB SER 31 -8.555 -15.306 -4.340
227 2HB SER 31 1HB SER 31 -9.281 -14.060 -5.356
228 HG SER 31 HG SER 31 -7.230 -12.981 -5.283
229 H THR 32 H THR 32 -11.204 -13.151 -4.313
230 HA THR 32 HA THR 32 -12.697 -13.797 -1.972
231 HB THR 32 HB THR 32 -14.278 -13.989 -4.361
232 HG1 THR 32 HG1 THR 32 -12.591 -11.714 -4.222
233 1HG2 THR 32 1HG2 THR 32 -14.088 -11.725 -2.393
234 2HG2 THR 32 2HG2 THR 32 -15.080 -13.168 -2.183
235 3HG2 THR 32 3HG2 THR 32 -15.413 -12.053 -3.509
236 H ASP 33 H ASP 33 -11.892 -15.376 -4.973
237 HA ASP 33 HA ASP 33 -13.280 -17.783 -4.263
238 1HB ASP 33 2HB ASP 33 -11.559 -17.092 -6.640
239 2HB ASP 33 1HB ASP 33 -12.371 -18.641 -6.433
240 H GLY 34 H GLY 34 -10.141 -16.476 -3.907
241 1HA GLY 34 2HA GLY 34 -8.446 -17.360 -2.556
242 2HA GLY 34 1HA GLY 34 -9.255 -18.919 -2.601
243 H ASP 35 H ASP 35 -8.475 -17.018 -5.448
244 HA ASP 35 HA ASP 35 -6.740 -19.203 -6.339
245 1HB ASP 35 2HB ASP 35 -8.657 -18.558 -7.782
246 2HB ASP 35 1HB ASP 35 -7.947 -16.957 -7.962
247 H LYS 36 H LYS 36 -6.668 -15.891 -5.403
248 HA LYS 36 HA LYS 36 -3.803 -15.801 -6.071
249 1HB LYS 36 2HB LYS 36 -5.426 -13.286 -6.088
250 2HB LYS 36 1HB LYS 36 -3.906 -13.636 -6.898
251 1HG LYS 36 2HG LYS 36 -5.714 -15.409 -8.034
252 2HG LYS 36 1HG LYS 36 -6.616 -13.902 -7.859
253 1HD LYS 36 2HD LYS 36 -3.926 -14.207 -9.191
254 2HD LYS 36 1HD LYS 36 -5.473 -14.025 -10.021
255 1HE LYS 36 2HE LYS 36 -4.855 -11.847 -10.042
256 2HE LYS 36 1HE LYS 36 -5.584 -11.876 -8.436
257 1HZ LYS 36 1HZ LYS 36 -2.762 -12.587 -8.613
258 2HZ LYS 36 2HZ LYS 36 -3.584 -11.705 -7.426
259 3HZ LYS 36 3HZ LYS 36 -3.152 -10.962 -8.882
260 H VAL 37 H VAL 37 -2.471 -15.112 -4.483
261 HA VAL 37 HA VAL 37 -3.632 -13.791 -2.141
262 HB VAL 37 HB VAL 37 -3.539 -16.222 -1.653
263 1HG1 VAL 37 1HG1 VAL 37 -0.545 -15.982 -1.695
264 2HG1 VAL 37 2HG1 VAL 37 -1.458 -16.560 -3.087
265 3HG1 VAL 37 3HG1 VAL 37 -1.534 -17.437 -1.558
266 1HG2 VAL 37 1HG2 VAL 37 -1.863 -15.845 0.391
267 2HG2 VAL 37 2HG2 VAL 37 -3.470 -15.118 0.330
268 3HG2 VAL 37 3HG2 VAL 37 -2.054 -14.167 -0.121
269 H HIS 38 H HIS 38 -2.420 -12.155 -1.414
270 HA HIS 38 HA HIS 38 0.421 -12.067 -2.179
271 1HB HIS 38 2HB HIS 38 -1.101 -10.564 -3.578
272 2HB HIS 38 1HB HIS 38 -1.318 -9.615 -2.113
273 HD1 HIS 38 HD1 HIS 38 1.641 -10.931 -4.124
274 HD2 HIS 38 HD2 HIS 38 0.451 -7.591 -1.957
275 HE1 HIS 38 HE1 HIS 38 3.531 -9.284 -4.333
276 HE2 HIS 38 HE2 HIS 38 2.749 -7.239 -3.089
277 H THR 39 H THR 39 1.814 -11.100 -0.748
278 HA THR 39 HA THR 39 0.692 -10.286 1.849
279 HB THR 39 HB THR 39 3.155 -11.995 1.453
280 HG1 THR 39 HG1 THR 39 1.846 -13.608 1.556
281 1HG2 THR 39 1HG2 THR 39 1.742 -11.281 4.009
282 2HG2 THR 39 2HG2 THR 39 3.252 -10.555 3.453
283 3HG2 THR 39 3HG2 THR 39 3.188 -12.277 3.831
284 H VAL 40 H VAL 40 1.549 -8.483 2.736
285 HA VAL 40 HA VAL 40 3.963 -7.354 1.477
286 HB VAL 40 HB VAL 40 1.523 -5.815 2.375
287 1HG1 VAL 40 1HG1 VAL 40 4.304 -5.013 1.910
288 2HG1 VAL 40 2HG1 VAL 40 3.013 -4.183 2.783
289 3HG1 VAL 40 3HG1 VAL 40 3.118 -4.049 1.025
290 1HG2 VAL 40 1HG2 VAL 40 1.223 -6.934 0.221
291 2HG2 VAL 40 2HG2 VAL 40 2.704 -6.185 -0.378
292 3HG2 VAL 40 3HG2 VAL 40 1.309 -5.182 0.029
293 H VAL 41 H VAL 41 5.431 -6.405 2.784
294 HA VAL 41 HA VAL 41 5.173 -6.905 5.634
295 HB VAL 41 HB VAL 41 7.301 -7.476 4.738
296 1HG1 VAL 41 1HG1 VAL 41 8.717 -5.694 3.606
297 2HG1 VAL 41 2HG1 VAL 41 7.215 -4.786 3.423
298 3HG1 VAL 41 3HG1 VAL 41 7.379 -6.376 2.681
299 1HG2 VAL 41 1HG2 VAL 41 7.596 -6.536 6.882
300 2HG2 VAL 41 2HG2 VAL 41 7.430 -4.891 6.267
301 3HG2 VAL 41 3HG2 VAL 41 8.861 -5.840 5.871
302 H LEU 42 H LEU 42 4.282 -5.425 6.915
303 HA LEU 42 HA LEU 42 3.756 -2.774 6.001
304 1HB LEU 42 2HB LEU 42 3.398 -3.947 8.757
305 2HB LEU 42 1HB LEU 42 2.692 -2.451 8.173
306 HG LEU 42 HG LEU 42 2.060 -5.226 7.170
307 1HD1 LEU 42 1HD1 LEU 42 -0.071 -3.540 8.244
308 2HD1 LEU 42 2HD1 LEU 42 1.147 -4.004 9.431
309 3HD1 LEU 42 3HD1 LEU 42 0.282 -5.245 8.524
310 1HD2 LEU 42 1HD2 LEU 42 1.767 -3.961 5.271
311 2HD2 LEU 42 2HD2 LEU 42 1.343 -2.508 6.175
312 3HD2 LEU 42 3HD2 LEU 42 0.179 -3.824 6.024
313 H SER 43 H SER 43 6.180 -4.225 8.046
314 HA SER 43 HA SER 43 7.056 -2.019 9.477
315 1HB SER 43 2HB SER 43 7.957 -4.083 10.123
316 2HB SER 43 1HB SER 43 8.474 -4.474 8.483
317 HG SER 43 HG SER 43 9.797 -3.134 10.429
318 H THR 44 H THR 44 7.389 -2.663 6.116
319 HA THR 44 HA THR 44 9.512 -0.672 5.839
320 HB THR 44 HB THR 44 10.096 -1.659 3.890
321 HG1 THR 44 HG1 THR 44 8.675 -2.199 2.307
322 1HG2 THR 44 1HG2 THR 44 8.250 -3.838 4.813
323 2HG2 THR 44 2HG2 THR 44 9.899 -3.589 5.385
324 3HG2 THR 44 3HG2 THR 44 9.604 -4.007 3.697
325 H ILE 45 H ILE 45 6.119 -1.019 5.467
326 HA ILE 45 HA ILE 45 5.557 0.872 3.513
327 HB ILE 45 HB ILE 45 3.935 0.259 5.987
328 1HG1 ILE 45 2HG1 ILE 45 4.472 -1.708 4.567
329 2HG1 ILE 45 1HG1 ILE 45 2.751 -1.340 4.594
330 1HG2 ILE 45 1HG2 ILE 45 2.372 0.985 3.702
331 2HG2 ILE 45 2HG2 ILE 45 3.551 2.252 4.034
332 3HG2 ILE 45 3HG2 ILE 45 2.431 1.739 5.296
333 1HD1 ILE 45 1HD1 ILE 45 2.705 -1.113 2.393
334 2HD1 ILE 45 2HD1 ILE 45 4.361 -1.719 2.364
335 3HD1 ILE 45 3HD1 ILE 45 4.058 0.017 2.419
336 H ASP 46 H ASP 46 6.919 2.640 3.671
337 HA ASP 46 HA ASP 46 7.226 4.178 6.039
338 1HB ASP 46 2HB ASP 46 8.851 4.068 4.109
339 2HB ASP 46 1HB ASP 46 7.743 5.101 3.214
340 H LYS 47 H LYS 47 4.930 4.225 3.416
341 HA LYS 47 HA LYS 47 3.482 6.358 4.793
342 1HB LYS 47 2HB LYS 47 4.436 6.465 1.951
343 2HB LYS 47 1HB LYS 47 3.024 7.371 2.460
344 1HG LYS 47 2HG LYS 47 4.556 8.338 4.275
345 2HG LYS 47 1HG LYS 47 5.878 7.684 3.305
346 1HD LYS 47 2HD LYS 47 4.444 8.957 1.399
347 2HD LYS 47 1HD LYS 47 4.107 9.982 2.796
348 1HE LYS 47 2HE LYS 47 6.799 9.259 1.656
349 2HE LYS 47 1HE LYS 47 6.039 10.848 1.679
350 1HZ LYS 47 1HZ LYS 47 6.931 9.318 4.063
351 2HZ LYS 47 2HZ LYS 47 6.184 10.835 4.095
352 3HZ LYS 47 3HZ LYS 47 7.715 10.662 3.398
353 H LEU 48 H LEU 48 1.261 6.464 4.313
354 HA LEU 48 HA LEU 48 0.171 4.246 2.749
355 1HB LEU 48 2HB LEU 48 -0.637 3.242 4.554
356 2HB LEU 48 1HB LEU 48 0.107 4.463 5.568
357 HG LEU 48 HG LEU 48 -2.054 5.822 4.964
358 1HD1 LEU 48 1HD1 LEU 48 -2.770 3.939 3.401
359 2HD1 LEU 48 2HD1 LEU 48 -3.979 4.573 4.516
360 3HD1 LEU 48 3HD1 LEU 48 -3.172 3.044 4.866
361 1HD2 LEU 48 1HD2 LEU 48 -1.184 4.776 7.187
362 2HD2 LEU 48 2HD2 LEU 48 -2.468 3.599 6.907
363 3HD2 LEU 48 3HD2 LEU 48 -2.859 5.312 7.058
364 H GLN 49 H GLN 49 -1.422 4.823 1.404
365 HA GLN 49 HA GLN 49 -2.681 7.454 1.817
366 1HB GLN 49 2HB GLN 49 -1.754 6.240 -0.791
367 2HB GLN 49 1HB GLN 49 -2.709 7.711 -0.659
368 1HG GLN 49 2HG GLN 49 -0.911 8.792 0.563
369 2HG GLN 49 1HG GLN 49 0.044 7.312 0.492
370 1HE2 GLN 49 1HE2 GLN 49 0.988 9.729 -0.460
371 2HE2 GLN 49 2HE2 GLN 49 1.144 9.640 -2.178
372 H ALA 50 H ALA 50 -4.835 7.644 1.317
373 HA ALA 50 HA ALA 50 -6.242 5.337 0.218
374 1HB ALA 50 1HB ALA 50 -7.520 6.458 2.626
375 2HB ALA 50 2HB ALA 50 -6.064 5.502 2.903
376 3HB ALA 50 3HB ALA 50 -7.436 4.791 2.052
377 H THR 51 H THR 51 -8.207 5.834 -0.740
378 HA THR 51 HA THR 51 -8.517 8.563 -1.552
379 HB THR 51 HB THR 51 -10.501 7.680 -2.807
380 HG1 THR 51 HG1 THR 51 -11.229 5.984 -1.693
381 1HG2 THR 51 1HG2 THR 51 -9.298 6.280 -4.362
382 2HG2 THR 51 2HG2 THR 51 -8.014 6.028 -3.178
383 3HG2 THR 51 3HG2 THR 51 -8.288 7.635 -3.855
384 HA PRO 52 HA PRO 52 -11.122 9.815 1.841
385 1HB PRO 52 2HB PRO 52 -12.192 12.038 0.618
386 2HB PRO 52 1HB PRO 52 -10.616 11.998 1.417
387 1HG PRO 52 2HG PRO 52 -11.273 11.761 -1.490
388 2HG PRO 52 1HG PRO 52 -9.953 12.653 -0.708
389 1HD PRO 52 2HD PRO 52 -9.539 10.281 -1.893
390 2HD PRO 52 1HD PRO 52 -8.672 10.743 -0.414
391 H ALA 53 H ALA 53 -13.319 9.895 2.394
392 HA ALA 53 HA ALA 53 -15.022 8.205 0.928
393 1HB ALA 53 1HB ALA 53 -15.356 9.973 3.304
394 2HB ALA 53 2HB ALA 53 -15.534 8.224 3.166
395 3HB ALA 53 3HB ALA 53 -16.788 9.289 2.533
396 H SER 54 H SER 54 -14.841 11.728 1.174
397 HA SER 54 HA SER 54 -17.179 12.351 -0.225
398 1HB SER 54 2HB SER 54 -16.237 14.557 -0.538
399 2HB SER 54 1HB SER 54 -15.793 13.981 1.070
400 HG SER 54 HG SER 54 -14.197 14.291 -1.220
401 H SER 55 H SER 55 -14.099 11.253 -1.325
402 HA SER 55 HA SER 55 -14.590 11.946 -4.076
403 1HB SER 55 2HB SER 55 -12.335 10.541 -2.660
404 2HB SER 55 1HB SER 55 -12.419 10.637 -4.420
405 HG SER 55 HG SER 55 -12.000 12.729 -4.345
406 H GLU 56 H GLU 56 -15.830 10.758 -5.338
407 HA GLU 56 HA GLU 56 -16.912 8.279 -4.676
408 1HB GLU 56 2HB GLU 56 -17.812 9.822 -6.407
409 2HB GLU 56 1HB GLU 56 -16.471 9.382 -7.455
410 1HG GLU 56 2HG GLU 56 -17.247 7.041 -7.410
411 2HG GLU 56 1HG GLU 56 -18.632 7.548 -6.446
412 H LYS 57 H LYS 57 -13.803 9.079 -5.844
413 HA LYS 57 HA LYS 57 -13.196 6.616 -7.145
414 1HB LYS 57 2HB LYS 57 -11.320 8.660 -5.944
415 2HB LYS 57 1HB LYS 57 -10.873 7.384 -7.069
416 1HG LYS 57 2HG LYS 57 -12.779 9.636 -7.676
417 2HG LYS 57 1HG LYS 57 -11.078 9.582 -8.149
418 1HD LYS 57 2HD LYS 57 -11.570 7.464 -9.382
419 2HD LYS 57 1HD LYS 57 -13.281 7.720 -9.030
420 1HE LYS 57 2HE LYS 57 -11.878 10.018 -10.216
421 2HE LYS 57 1HE LYS 57 -12.028 8.607 -11.262
422 1HZ LYS 57 1HZ LYS 57 -14.087 10.396 -10.248
423 2HZ LYS 57 2HZ LYS 57 -14.498 8.757 -10.324
424 3HZ LYS 57 3HZ LYS 57 -13.999 9.569 -11.722
425 H MET 58 H MET 58 -12.761 4.715 -6.273
426 HA MET 58 HA MET 58 -12.175 4.569 -3.395
427 1HB MET 58 2HB MET 58 -12.917 2.206 -5.090
428 2HB MET 58 1HB MET 58 -13.144 2.443 -3.365
429 1HG MET 58 2HG MET 58 -14.615 4.115 -5.367
430 2HG MET 58 1HG MET 58 -15.195 2.519 -4.895
431 1HE MET 58 1HE MET 58 -14.501 2.221 -1.940
432 2HE MET 58 2HE MET 58 -16.142 1.917 -2.514
433 3HE MET 58 3HE MET 58 -15.877 2.934 -1.095
434 H MET 59 H MET 59 -10.104 4.208 -2.841
435 HA MET 59 HA MET 59 -8.549 2.146 -3.953
436 1HB MET 59 2HB MET 59 -8.559 4.463 -5.526
437 2HB MET 59 1HB MET 59 -7.019 4.488 -4.679
438 1HG MET 59 2HG MET 59 -6.513 2.256 -5.507
439 2HG MET 59 1HG MET 59 -8.069 2.205 -6.335
440 1HE MET 59 1HE MET 59 -8.733 4.304 -8.038
441 2HE MET 59 2HE MET 59 -7.515 5.348 -8.772
442 3HE MET 59 3HE MET 59 -7.920 5.529 -7.064
443 H LEU 60 H LEU 60 -6.343 2.088 -3.142
444 HA LEU 60 HA LEU 60 -5.604 3.910 -1.021
445 1HB LEU 60 2HB LEU 60 -7.173 1.917 -0.199
446 2HB LEU 60 1HB LEU 60 -5.653 1.043 -0.222
447 HG LEU 60 HG LEU 60 -5.825 3.659 1.220
448 1HD1 LEU 60 1HD1 LEU 60 -6.868 1.008 2.172
449 2HD1 LEU 60 2HD1 LEU 60 -7.690 2.566 2.157
450 3HD1 LEU 60 3HD1 LEU 60 -6.358 2.284 3.277
451 1HD2 LEU 60 1HD2 LEU 60 -3.653 2.531 0.852
452 2HD2 LEU 60 2HD2 LEU 60 -4.259 1.139 1.752
453 3HD2 LEU 60 3HD2 LEU 60 -4.069 2.696 2.558
454 H ARG 61 H ARG 61 -3.465 4.213 -1.191
455 HA ARG 61 HA ARG 61 -1.869 2.052 -2.413
456 1HB ARG 61 2HB ARG 61 -2.192 4.167 -3.764
457 2HB ARG 61 1HB ARG 61 -1.231 4.995 -2.548
458 1HG ARG 61 2HG ARG 61 0.596 3.329 -3.019
459 2HG ARG 61 1HG ARG 61 -0.363 2.795 -4.401
460 1HD ARG 61 2HD ARG 61 1.198 4.373 -5.229
461 2HD ARG 61 1HD ARG 61 -0.366 5.186 -5.182
462 HE ARG 61 HE ARG 61 0.734 5.847 -2.806
463 1HH1 ARG 61 1HH1 ARG 61 1.887 6.038 -6.094
464 2HH1 ARG 61 2HH1 ARG 61 2.885 7.422 -5.797
465 1HH2 ARG 61 1HH2 ARG 61 2.046 7.668 -2.412
466 2HH2 ARG 61 2HH2 ARG 61 2.975 8.347 -3.706
467 H LEU 62 H LEU 62 -0.003 1.419 -1.489
468 HA LEU 62 HA LEU 62 0.766 2.707 1.054
469 1HB LEU 62 2HB LEU 62 1.027 -0.152 0.123
470 2HB LEU 62 1HB LEU 62 1.831 0.466 1.550
471 HG LEU 62 HG LEU 62 -0.026 0.325 2.813
472 1HD1 LEU 62 1HD1 LEU 62 -2.253 0.961 2.150
473 2HD1 LEU 62 2HD1 LEU 62 -1.762 1.046 0.458
474 3HD1 LEU 62 3HD1 LEU 62 -1.110 2.196 1.625
475 1HD2 LEU 62 1HD2 LEU 62 0.176 -1.834 1.419
476 2HD2 LEU 62 2HD2 LEU 62 -1.285 -1.264 0.613
477 3HD2 LEU 62 3HD2 LEU 62 -1.297 -1.562 2.351
478 H ILE 63 H ILE 63 2.857 3.393 1.308
479 HA ILE 63 HA ILE 63 4.609 3.083 -1.032
480 HB ILE 63 HB ILE 63 5.352 4.972 1.136
481 1HG1 ILE 63 2HG1 ILE 63 3.002 5.496 0.951
482 2HG1 ILE 63 1HG1 ILE 63 3.923 6.747 0.124
483 1HG2 ILE 63 1HG2 ILE 63 5.661 4.735 -1.819
484 2HG2 ILE 63 2HG2 ILE 63 6.884 4.981 -0.572
485 3HG2 ILE 63 3HG2 ILE 63 5.830 6.314 -1.050
486 1HD1 ILE 63 1HD1 ILE 63 1.811 5.890 -0.976
487 2HD1 ILE 63 2HD1 ILE 63 2.741 4.440 -1.355
488 3HD1 ILE 63 3HD1 ILE 63 3.261 6.008 -1.970
489 H GLY 64 H GLY 64 6.521 2.068 -0.912
490 1HA GLY 64 2HA GLY 64 7.240 0.891 1.685
491 2HA GLY 64 1HA GLY 64 7.733 0.276 0.113
492 H LYS 65 H LYS 65 9.094 1.365 2.701
493 HA LYS 65 HA LYS 65 10.534 3.635 2.320
494 1HB LYS 65 2HB LYS 65 11.270 1.013 3.567
495 2HB LYS 65 1HB LYS 65 12.466 2.297 3.462
496 1HG LYS 65 2HG LYS 65 10.945 3.788 4.688
497 2HG LYS 65 1HG LYS 65 9.788 2.464 4.831
498 1HD LYS 65 2HD LYS 65 11.462 1.153 6.062
499 2HD LYS 65 1HD LYS 65 12.594 2.502 5.941
500 1HE LYS 65 2HE LYS 65 11.558 3.686 7.555
501 2HE LYS 65 1HE LYS 65 9.950 3.171 7.043
502 1HZ LYS 65 1HZ LYS 65 11.634 1.131 8.253
503 2HZ LYS 65 2HZ LYS 65 9.975 1.410 8.429
504 3HZ LYS 65 3HZ LYS 65 11.088 2.352 9.289
505 H VAL 66 H VAL 66 12.235 4.332 1.128
506 HA VAL 66 HA VAL 66 13.174 2.523 -0.988
507 HB VAL 66 HB VAL 66 12.028 4.836 -1.430
508 1HG1 VAL 66 1HG1 VAL 66 13.252 6.754 -1.317
509 2HG1 VAL 66 2HG1 VAL 66 14.793 5.908 -1.448
510 3HG1 VAL 66 3HG1 VAL 66 13.906 5.894 0.076
511 1HG2 VAL 66 1HG2 VAL 66 14.318 4.819 -3.175
512 2HG2 VAL 66 2HG2 VAL 66 12.636 4.416 -3.521
513 3HG2 VAL 66 3HG2 VAL 66 13.727 3.183 -2.887
514 H ASP 67 H ASP 67 15.413 4.029 -1.752
515 HA ASP 67 HA ASP 67 17.214 4.561 0.342
516 1HB ASP 67 2HB ASP 67 17.022 2.098 0.658
517 2HB ASP 67 1HB ASP 67 17.602 1.869 -0.989
518 H GLU 68 H GLU 68 17.058 6.255 -1.417
519 HA GLU 68 HA GLU 68 18.072 5.916 -3.975
520 1HB GLU 68 2HB GLU 68 18.225 8.353 -2.197
521 2HB GLU 68 1HB GLU 68 18.532 8.355 -3.928
522 1HG GLU 68 2HG GLU 68 16.225 7.587 -4.311
523 2HG GLU 68 1HG GLU 68 15.931 7.673 -2.576
524 H SER 69 H SER 69 19.732 5.963 -0.971
525 HA SER 69 HA SER 69 22.269 6.823 -1.748
526 1HB SER 69 2HB SER 69 21.587 4.701 0.302
527 2HB SER 69 1HB SER 69 23.107 5.592 0.197
528 HG SER 69 HG SER 69 20.539 6.689 0.709
529 H LYS 70 H LYS 70 20.556 3.982 -2.589
530 HA LYS 70 HA LYS 70 22.764 2.265 -3.081
531 1HB LYS 70 2HB LYS 70 19.970 2.247 -4.236
532 2HB LYS 70 1HB LYS 70 21.140 0.947 -4.417
533 1HG LYS 70 2HG LYS 70 21.071 1.322 -1.699
534 2HG LYS 70 1HG LYS 70 19.396 1.598 -2.180
535 1HD LYS 70 2HD LYS 70 21.013 -0.807 -3.003
536 2HD LYS 70 1HD LYS 70 19.935 -0.776 -1.608
537 1HE LYS 70 2HE LYS 70 18.292 0.171 -3.537
538 2HE LYS 70 1HE LYS 70 19.318 -0.905 -4.484
539 1HZ LYS 70 1HZ LYS 70 17.161 -1.740 -3.220
540 2HZ LYS 70 2HZ LYS 70 18.280 -1.955 -1.972
541 3HZ LYS 70 3HZ LYS 70 18.511 -2.732 -3.456
542 H LYS 71 H LYS 71 20.903 4.489 -5.113
543 HA LYS 71 HA LYS 71 21.322 5.414 -7.148
544 1HB LYS 71 2HB LYS 71 24.160 4.668 -6.426
545 2HB LYS 71 1HB LYS 71 23.721 5.666 -7.804
546 1HG LYS 71 2HG LYS 71 22.433 6.913 -5.730
547 2HG LYS 71 1HG LYS 71 23.931 6.354 -4.982
548 1HD LYS 71 2HD LYS 71 25.163 7.392 -6.909
549 2HD LYS 71 1HD LYS 71 23.630 8.108 -7.413
550 1HE LYS 71 2HE LYS 71 23.587 8.938 -4.912
551 2HE LYS 71 1HE LYS 71 25.332 8.715 -5.043
552 1HZ LYS 71 1HZ LYS 71 24.099 10.957 -5.724
553 2HZ LYS 71 2HZ LYS 71 24.053 10.164 -7.217
554 3HZ LYS 71 3HZ LYS 71 25.536 10.442 -6.454
555 H ARG 72 H ARG 72 20.184 3.955 -8.397
556 HA ARG 72 HA ARG 72 21.549 1.578 -9.390
557 1HB ARG 72 2HB ARG 72 18.723 2.596 -9.636
558 2HB ARG 72 1HB ARG 72 19.302 1.208 -10.547
559 1HG ARG 72 2HG ARG 72 19.425 1.383 -7.549
560 2HG ARG 72 1HG ARG 72 18.074 0.672 -8.434
561 1HD ARG 72 2HD ARG 72 19.671 -0.892 -9.510
562 2HD ARG 72 1HD ARG 72 20.951 -0.229 -8.493
563 HE ARG 72 HE ARG 72 19.089 -0.988 -6.695
564 1HH1 ARG 72 1HH1 ARG 72 20.611 -2.642 -9.364
565 2HH1 ARG 72 2HH1 ARG 72 20.493 -4.202 -8.627
566 1HH2 ARG 72 1HH2 ARG 72 18.934 -3.040 -5.723
567 2HH2 ARG 72 2HH2 ARG 72 19.541 -4.430 -6.560
568 H LYS 73 H LYS 73 22.235 1.289 -11.460
569 HA LYS 73 HA LYS 73 22.395 3.677 -13.112
570 1HB LYS 73 2HB LYS 73 23.649 0.947 -13.438
571 2HB LYS 73 1HB LYS 73 23.929 2.315 -14.508
572 1HG LYS 73 2HG LYS 73 24.433 2.667 -11.602
573 2HG LYS 73 1HG LYS 73 25.588 1.736 -12.558
574 1HD LYS 73 2HD LYS 73 25.552 3.721 -14.181
575 2HD LYS 73 1HD LYS 73 24.781 4.611 -12.866
576 1HE LYS 73 2HE LYS 73 27.483 3.275 -12.810
577 2HE LYS 73 1HE LYS 73 27.162 5.007 -12.820
578 1HZ LYS 73 1HZ LYS 73 25.792 3.779 -10.673
579 2HZ LYS 73 2HZ LYS 73 26.973 4.989 -10.627
580 3HZ LYS 73 3HZ LYS 73 27.432 3.362 -10.613
581 H ASP 74 H ASP 74 21.619 3.853 -15.197
582 HA ASP 74 HA ASP 74 19.376 2.093 -15.815
583 1HB ASP 74 2HB ASP 74 19.394 4.722 -15.858
584 2HB ASP 74 1HB ASP 74 20.088 4.492 -17.460
585 H ASN 75 H ASN 75 19.026 1.729 -18.258
586 HA ASN 75 HA ASN 75 21.039 0.035 -19.198
587 1HB ASN 75 2HB ASN 75 18.574 0.025 -19.821
588 2HB ASN 75 1HB ASN 75 18.948 1.331 -20.942
589 1HD2 ASN 75 1HD2 ASN 75 17.968 -0.518 -22.289
590 2HD2 ASN 75 2HD2 ASN 75 19.111 -1.574 -23.037
591 H GLU 76 H GLU 76 20.703 3.438 -19.464
592 HA GLU 76 HA GLU 76 22.436 3.664 -21.776
593 1HB GLU 76 2HB GLU 76 21.253 5.771 -19.961
594 2HB GLU 76 1HB GLU 76 22.191 6.107 -21.410
595 1HG GLU 76 2HG GLU 76 20.017 6.321 -22.143
596 2HG GLU 76 1HG GLU 76 20.424 4.675 -22.619
597 H GLY 77 H GLY 77 23.054 2.864 -18.694
598 1HA GLY 77 2HA GLY 77 25.092 2.718 -17.611
599 2HA GLY 77 1HA GLY 77 25.803 3.697 -18.884
600 H ASN 78 H ASN 78 22.994 5.058 -17.511
601 HA ASN 78 HA ASN 78 24.675 6.896 -15.941
602 1HB ASN 78 2HB ASN 78 21.963 7.393 -17.188
603 2HB ASN 78 1HB ASN 78 22.896 8.563 -16.258
604 1HD2 ASN 78 1HD2 ASN 78 22.171 7.477 -19.298
605 2HD2 ASN 78 2HD2 ASN 78 23.493 8.172 -20.165
606 H GLU 79 H GLU 79 24.087 7.467 -13.874
607 HA GLU 79 HA GLU 79 22.639 5.518 -12.392
608 1HB GLU 79 2HB GLU 79 23.705 8.226 -11.570
609 2HB GLU 79 1HB GLU 79 23.056 7.028 -10.458
610 1HG GLU 79 2HG GLU 79 24.824 5.476 -11.079
611 2HG GLU 79 1HG GLU 79 25.465 6.654 -12.224
612 H VAL 80 H VAL 80 20.703 5.712 -11.267
613 HA VAL 80 HA VAL 80 19.025 8.046 -11.826
614 HB VAL 80 HB VAL 80 17.189 6.837 -12.640
615 1HG1 VAL 80 1HG1 VAL 80 19.091 7.096 -14.244
616 2HG1 VAL 80 2HG1 VAL 80 17.966 5.794 -14.636
617 3HG1 VAL 80 3HG1 VAL 80 19.526 5.421 -13.903
618 1HG2 VAL 80 1HG2 VAL 80 17.118 4.990 -11.107
619 2HG2 VAL 80 2HG2 VAL 80 18.615 4.323 -11.768
620 3HG2 VAL 80 3HG2 VAL 80 17.149 4.337 -12.748
621 H VAL 81 H VAL 81 17.138 8.179 -10.433
622 HA VAL 81 HA VAL 81 17.733 7.220 -7.763
623 HB VAL 81 HB VAL 81 15.337 8.838 -8.638
624 1HG1 VAL 81 1HG1 VAL 81 15.795 7.619 -6.262
625 2HG1 VAL 81 2HG1 VAL 81 14.834 9.085 -6.459
626 3HG1 VAL 81 3HG1 VAL 81 16.526 9.199 -5.975
627 1HG2 VAL 81 1HG2 VAL 81 18.045 9.815 -7.733
628 2HG2 VAL 81 2HG2 VAL 81 16.620 10.828 -7.965
629 3HG2 VAL 81 3HG2 VAL 81 17.348 10.002 -9.342
630 HA PRO 82 HA PRO 82 15.438 3.434 -8.633
631 1HB PRO 82 2HB PRO 82 15.448 3.474 -5.638
632 2HB PRO 82 1HB PRO 82 15.783 2.136 -6.745
633 1HG PRO 82 2HG PRO 82 17.770 3.428 -5.528
634 2HG PRO 82 1HG PRO 82 17.927 2.880 -7.206
635 1HD PRO 82 2HD PRO 82 17.532 5.624 -6.140
636 2HD PRO 82 1HD PRO 82 18.363 5.091 -7.612
637 H LYS 83 H LYS 83 13.303 2.889 -8.629
638 HA LYS 83 HA LYS 83 11.424 4.939 -7.835
639 1HB LYS 83 2HB LYS 83 11.334 2.473 -9.497
640 2HB LYS 83 1HB LYS 83 9.825 3.029 -8.787
641 1HG LYS 83 2HG LYS 83 11.617 4.781 -10.445
642 2HG LYS 83 1HG LYS 83 10.280 3.840 -11.108
643 1HD LYS 83 2HD LYS 83 8.687 5.160 -10.128
644 2HD LYS 83 1HD LYS 83 9.733 5.608 -8.779
645 1HE LYS 83 2HE LYS 83 10.513 6.533 -11.488
646 2HE LYS 83 1HE LYS 83 9.115 7.302 -10.739
647 1HZ LYS 83 1HZ LYS 83 11.629 7.014 -9.229
648 2HZ LYS 83 2HZ LYS 83 10.389 8.147 -9.031
649 3HZ LYS 83 3HZ LYS 83 11.450 8.277 -10.342
650 HA PRO 84 HA PRO 84 11.159 3.096 -3.671
651 1HB PRO 84 2HB PRO 84 8.874 4.753 -3.288
652 2HB PRO 84 1HB PRO 84 10.512 5.027 -2.690
653 1HG PRO 84 2HG PRO 84 9.195 6.073 -5.145
654 2HG PRO 84 1HG PRO 84 10.397 6.852 -4.101
655 1HD PRO 84 2HD PRO 84 11.099 5.918 -6.463
656 2HD PRO 84 1HD PRO 84 12.157 5.640 -5.061
657 H GLN 85 H GLN 85 9.739 1.642 -2.725
658 HA GLN 85 HA GLN 85 8.060 0.175 -4.454
659 1HB GLN 85 2HB GLN 85 8.777 0.083 -1.581
660 2HB GLN 85 1HB GLN 85 7.265 -0.691 -2.030
661 1HG GLN 85 2HG GLN 85 8.424 -2.100 -3.622
662 2HG GLN 85 1HG GLN 85 9.947 -1.290 -3.256
663 1HE2 GLN 85 1HE2 GLN 85 11.094 -1.890 -1.498
664 2HE2 GLN 85 2HE2 GLN 85 10.637 -3.170 -0.430
665 H ARG 86 H ARG 86 5.873 0.126 -4.712
666 HA ARG 86 HA ARG 86 4.169 1.767 -3.030
667 1HB ARG 86 2HB ARG 86 4.899 2.461 -5.820
668 2HB ARG 86 1HB ARG 86 3.205 2.633 -5.385
669 1HG ARG 86 2HG ARG 86 3.585 4.416 -4.071
670 2HG ARG 86 1HG ARG 86 5.119 3.780 -3.471
671 1HD ARG 86 2HD ARG 86 5.646 5.707 -4.739
672 2HD ARG 86 1HD ARG 86 6.090 4.321 -5.735
673 HE ARG 86 HE ARG 86 3.523 4.958 -6.472
674 1HH1 ARG 86 1HH1 ARG 86 6.591 6.618 -6.399
675 2HH1 ARG 86 2HH1 ARG 86 6.215 7.637 -7.748
676 1HH2 ARG 86 1HH2 ARG 86 3.025 6.297 -8.246
677 2HH2 ARG 86 2HH2 ARG 86 4.190 7.456 -8.795
678 H HIS 87 H HIS 87 2.445 0.571 -2.585
679 HA HIS 87 HA HIS 87 1.625 -1.503 -4.494
680 1HB HIS 87 2HB HIS 87 0.945 -1.210 -1.560
681 2HB HIS 87 1HB HIS 87 0.468 -2.551 -2.596
682 HD1 HIS 87 HD1 HIS 87 2.675 -3.839 -3.705
683 HD2 HIS 87 HD2 HIS 87 3.214 -1.704 -0.180
684 HE1 HIS 87 HE1 HIS 87 4.801 -4.729 -2.699
685 HE2 HIS 87 HE2 HIS 87 5.148 -3.367 -0.608
686 H MET 88 H MET 88 -0.484 -1.656 -5.222
687 HA MET 88 HA MET 88 -2.205 0.655 -4.601
688 1HB MET 88 2HB MET 88 -1.340 0.763 -6.883
689 2HB MET 88 1HB MET 88 -1.952 -0.854 -7.207
690 1HG MET 88 2HG MET 88 -4.248 0.001 -6.784
691 2HG MET 88 1HG MET 88 -3.567 1.621 -6.654
692 1HE MET 88 1HE MET 88 -5.728 0.550 -9.807
693 2HE MET 88 2HE MET 88 -5.368 2.247 -9.482
694 3HE MET 88 3HE MET 88 -5.780 1.163 -8.154
695 H PHE 89 H PHE 89 -4.212 0.273 -3.914
696 HA PHE 89 HA PHE 89 -5.405 -2.369 -4.338
697 1HB PHE 89 2HB PHE 89 -5.199 -0.998 -1.647
698 2HB PHE 89 1HB PHE 89 -6.128 -2.458 -1.972
699 HD1 PHE 89 HD1 PHE 89 -2.823 -1.061 -1.415
700 HD2 PHE 89 HD2 PHE 89 -4.990 -4.570 -2.460
701 HE1 PHE 89 HE1 PHE 89 -0.831 -2.427 -0.945
702 HE2 PHE 89 HE2 PHE 89 -3.003 -5.943 -1.991
703 HZ PHE 89 HZ PHE 89 -0.921 -4.871 -1.231
704 H SER 90 H SER 90 -7.643 -2.375 -4.453
705 HA SER 90 HA SER 90 -8.948 0.259 -4.270
706 1HB SER 90 2HB SER 90 -9.805 -1.809 -6.277
707 2HB SER 90 1HB SER 90 -10.103 -0.071 -6.282
708 HG SER 90 HG SER 90 -7.640 -1.394 -6.757
709 H PHE 91 H PHE 91 -10.850 0.347 -3.216
710 HA PHE 91 HA PHE 91 -12.066 -2.204 -2.378
711 1HB PHE 91 2HB PHE 91 -12.038 0.325 -0.725
712 2HB PHE 91 1HB PHE 91 -12.568 -1.276 -0.223
713 HD1 PHE 91 HD1 PHE 91 -9.519 0.404 -1.571
714 HD2 PHE 91 HD2 PHE 91 -11.137 -2.515 1.070
715 HE1 PHE 91 HE1 PHE 91 -7.263 -0.064 -0.710
716 HE2 PHE 91 HE2 PHE 91 -8.882 -2.986 1.935
717 HZ PHE 91 HZ PHE 91 -6.942 -1.761 1.045
718 H ASN 92 H ASN 92 -14.388 -1.778 -1.533
719 HA ASN 92 HA ASN 92 -15.709 0.187 -3.283
720 1HB ASN 92 2HB ASN 92 -16.730 -2.593 -2.672
721 2HB ASN 92 1HB ASN 92 -17.508 -1.394 -3.700
722 1HD2 ASN 92 1HD2 ASN 92 -16.267 -4.164 -4.079
723 2HD2 ASN 92 2HD2 ASN 92 -15.283 -3.973 -5.486
724 H ASN 93 H ASN 93 -14.947 0.259 -0.425
725 HA ASN 93 HA ASN 93 -17.469 1.212 0.586
726 1HB ASN 93 2HB ASN 93 -16.065 -1.117 1.908
727 2HB ASN 93 1HB ASN 93 -17.315 -0.152 2.689
728 1HD2 ASN 93 1HD2 ASN 93 -16.891 -3.003 1.395
729 2HD2 ASN 93 2HD2 ASN 93 -18.418 -3.273 0.635
730 H ARG 94 H ARG 94 -17.035 3.077 1.560
731 HA ARG 94 HA ARG 94 -14.475 4.049 2.027
732 1HB ARG 94 2HB ARG 94 -16.957 4.951 3.485
733 2HB ARG 94 1HB ARG 94 -15.510 5.897 3.165
734 1HG ARG 94 2HG ARG 94 -17.538 4.945 1.157
735 2HG ARG 94 1HG ARG 94 -17.236 6.604 1.674
736 1HD ARG 94 2HD ARG 94 -14.849 6.228 0.810
737 2HD ARG 94 1HD ARG 94 -15.513 4.816 -0.012
738 HE ARG 94 HE ARG 94 -15.809 7.537 -0.788
739 1HH1 ARG 94 1HH1 ARG 94 -17.453 4.459 -0.769
740 2HH1 ARG 94 2HH1 ARG 94 -18.437 4.835 -2.142
741 1HH2 ARG 94 1HH2 ARG 94 -17.101 8.034 -2.595
742 2HH2 ARG 94 2HH2 ARG 94 -18.238 6.864 -3.179
743 H THR 95 H THR 95 -16.663 2.336 4.140
744 HA THR 95 HA THR 95 -15.264 2.719 6.538
745 HB THR 95 HB THR 95 -16.768 0.245 6.200
746 HG1 THR 95 HG1 THR 95 -18.094 2.717 5.888
747 1HG2 THR 95 1HG2 THR 95 -17.228 2.585 8.004
748 2HG2 THR 95 2HG2 THR 95 -16.217 1.196 8.399
749 3HG2 THR 95 3HG2 THR 95 -17.950 0.983 8.146
750 H VAL 96 H VAL 96 -15.408 -0.085 4.344
751 HA VAL 96 HA VAL 96 -13.438 -1.594 5.661
752 HB VAL 96 HB VAL 96 -14.141 -1.664 2.719
753 1HG1 VAL 96 1HG1 VAL 96 -13.325 -4.134 4.067
754 2HG1 VAL 96 2HG1 VAL 96 -12.054 -2.916 3.950
755 3HG1 VAL 96 3HG1 VAL 96 -12.859 -3.492 2.492
756 1HG2 VAL 96 1HG2 VAL 96 -16.162 -2.005 3.878
757 2HG2 VAL 96 2HG2 VAL 96 -15.383 -3.001 5.108
758 3HG2 VAL 96 3HG2 VAL 96 -15.581 -3.619 3.468
759 H MET 97 H MET 97 -13.263 0.761 3.044
760 HA MET 97 HA MET 97 -10.488 0.437 2.538
761 1HB MET 97 2HB MET 97 -12.411 1.595 1.138
762 2HB MET 97 1HB MET 97 -11.876 3.028 2.006
763 1HG MET 97 2HG MET 97 -9.540 1.824 1.075
764 2HG MET 97 1HG MET 97 -10.691 1.692 -0.252
765 1HE MET 97 1HE MET 97 -9.484 4.035 2.508
766 2HE MET 97 2HE MET 97 -11.042 4.826 2.257
767 3HE MET 97 3HE MET 97 -9.549 5.646 1.792
768 H ASP 98 H ASP 98 -12.375 2.456 4.710
769 HA ASP 98 HA ASP 98 -10.152 4.081 5.500
770 1HB ASP 98 2HB ASP 98 -12.963 3.741 6.497
771 2HB ASP 98 1HB ASP 98 -11.793 4.671 7.429
772 H ASN 99 H ASN 99 -11.597 1.119 6.602
773 HA ASN 99 HA ASN 99 -10.460 1.015 9.174
774 1HB ASN 99 2HB ASN 99 -11.216 -1.242 7.305
775 2HB ASN 99 1HB ASN 99 -10.805 -1.447 9.007
776 1HD2 ASN 99 1HD2 ASN 99 -13.235 -2.234 7.876
777 2HD2 ASN 99 2HD2 ASN 99 -14.496 -1.277 8.568
778 H ILE 100 H ILE 100 -9.247 0.137 6.008
779 HA ILE 100 HA ILE 100 -6.886 -1.171 6.907
780 HB ILE 100 HB ILE 100 -7.394 0.150 4.237
781 1HG1 ILE 100 2HG1 ILE 100 -9.118 -1.538 4.913
782 2HG1 ILE 100 1HG1 ILE 100 -8.221 -1.963 3.460
783 1HG2 ILE 100 1HG2 ILE 100 -5.788 -1.784 3.560
784 2HG2 ILE 100 2HG2 ILE 100 -5.298 -1.713 5.254
785 3HG2 ILE 100 3HG2 ILE 100 -5.134 -0.287 4.228
786 1HD1 ILE 100 1HD1 ILE 100 -7.863 -3.091 6.220
787 2HD1 ILE 100 2HD1 ILE 100 -6.774 -3.417 4.869
788 3HD1 ILE 100 3HD1 ILE 100 -8.463 -3.922 4.780
789 H LYS 101 H LYS 101 -7.520 2.089 5.634
790 HA LYS 101 HA LYS 101 -4.871 3.006 5.901
791 1HB LYS 101 2HB LYS 101 -5.683 5.135 5.337
792 2HB LYS 101 1HB LYS 101 -6.770 4.024 4.520
793 1HG LYS 101 2HG LYS 101 -8.386 4.317 6.367
794 2HG LYS 101 1HG LYS 101 -7.310 5.526 7.070
795 1HD LYS 101 2HD LYS 101 -7.478 6.528 4.611
796 2HD LYS 101 1HD LYS 101 -9.018 5.669 4.645
797 1HE LYS 101 2HE LYS 101 -8.918 6.958 7.092
798 2HE LYS 101 1HE LYS 101 -8.227 8.127 5.969
799 1HZ LYS 101 1HZ LYS 101 -10.266 8.610 5.300
800 2HZ LYS 101 2HZ LYS 101 -10.924 7.447 6.337
801 3HZ LYS 101 3HZ LYS 101 -10.485 7.021 4.760
802 H MET 102 H MET 102 -7.478 2.698 8.145
803 HA MET 102 HA MET 102 -6.342 4.459 10.116
804 1HB MET 102 2HB MET 102 -8.472 4.406 10.798
805 2HB MET 102 1HB MET 102 -8.825 3.049 9.745
806 1HG MET 102 2HG MET 102 -8.265 1.481 11.422
807 2HG MET 102 1HG MET 102 -7.558 2.729 12.447
808 1HE MET 102 1HE MET 102 -10.570 0.836 11.277
809 2HE MET 102 2HE MET 102 -11.138 2.333 10.538
810 3HE MET 102 3HE MET 102 -11.973 1.671 11.944
811 H THR 103 H THR 103 -6.524 0.976 9.553
812 HA THR 103 HA THR 103 -5.166 0.264 11.955
813 HB THR 103 HB THR 103 -6.404 -1.072 9.729
814 HG1 THR 103 HG1 THR 103 -7.086 -1.469 11.781
815 1HG2 THR 103 1HG2 THR 103 -3.782 -2.202 10.626
816 2HG2 THR 103 2HG2 THR 103 -4.225 -1.702 8.992
817 3HG2 THR 103 3HG2 THR 103 -5.017 -3.094 9.736
818 H LEU 104 H LEU 104 -4.163 0.762 8.605
819 HA LEU 104 HA LEU 104 -1.514 -0.105 8.870
820 1HB LEU 104 2HB LEU 104 -2.969 1.689 6.994
821 2HB LEU 104 1HB LEU 104 -1.217 1.727 6.969
822 HG LEU 104 HG LEU 104 -2.855 -0.779 6.597
823 1HD1 LEU 104 1HD1 LEU 104 -1.496 0.923 4.513
824 2HD1 LEU 104 2HD1 LEU 104 -3.237 0.835 4.783
825 3HD1 LEU 104 3HD1 LEU 104 -2.356 -0.592 4.236
826 1HD2 LEU 104 1HD2 LEU 104 -0.078 -0.555 5.633
827 2HD2 LEU 104 2HD2 LEU 104 -0.920 -1.917 6.374
828 3HD2 LEU 104 3HD2 LEU 104 -0.288 -0.615 7.383
829 H GLN 105 H GLN 105 -2.995 3.055 9.430
830 HA GLN 105 HA GLN 105 -0.632 4.497 9.880
831 1HB GLN 105 2HB GLN 105 -3.505 4.881 10.540
832 2HB GLN 105 1HB GLN 105 -2.338 5.863 11.413
833 1HG GLN 105 2HG GLN 105 -1.602 5.989 8.708
834 2HG GLN 105 1HG GLN 105 -3.355 6.180 8.760
835 1HE2 GLN 105 1HE2 GLN 105 -0.427 7.738 9.015
836 2HE2 GLN 105 2HE2 GLN 105 -0.964 9.207 9.751
837 H GLN 106 H GLN 106 -2.478 2.376 11.909
838 HA GLN 106 HA GLN 106 -1.368 3.170 14.395
839 1HB GLN 106 2HB GLN 106 -2.692 0.607 13.509
840 2HB GLN 106 1HB GLN 106 -2.192 0.912 15.166
841 1HG GLN 106 2HG GLN 106 -3.696 2.806 15.301
842 2HG GLN 106 1HG GLN 106 -4.160 2.581 13.615
843 1HE2 GLN 106 1HE2 GLN 106 -6.026 2.633 15.637
844 2HE2 GLN 106 2HE2 GLN 106 -6.725 1.063 15.812
845 H ILE 107 H ILE 107 -0.420 0.822 11.954
846 HA ILE 107 HA ILE 107 1.600 -0.424 13.518
847 HB ILE 107 HB ILE 107 1.327 -0.334 10.511
848 1HG1 ILE 107 2HG1 ILE 107 0.582 -2.754 12.035
849 2HG1 ILE 107 1HG1 ILE 107 -0.488 -1.371 12.241
850 1HG2 ILE 107 1HG2 ILE 107 3.525 -1.031 11.000
851 2HG2 ILE 107 2HG2 ILE 107 2.614 -2.511 10.694
852 3HG2 ILE 107 3HG2 ILE 107 2.991 -2.032 12.349
853 1HD1 ILE 107 1HD1 ILE 107 0.221 -1.937 9.463
854 2HD1 ILE 107 2HD1 ILE 107 -1.346 -1.586 10.193
855 3HD1 ILE 107 3HD1 ILE 107 -0.684 -3.219 10.268
856 H ILE 108 H ILE 108 1.701 2.103 11.016
857 HA ILE 108 HA ILE 108 4.477 2.456 10.947
858 HB ILE 108 HB ILE 108 2.640 4.816 10.756
859 1HG1 ILE 108 2HG1 ILE 108 3.101 3.127 8.339
860 2HG1 ILE 108 1HG1 ILE 108 1.842 2.656 9.471
861 1HG2 ILE 108 1HG2 ILE 108 4.641 4.493 8.696
862 2HG2 ILE 108 2HG2 ILE 108 5.347 4.427 10.311
863 3HG2 ILE 108 3HG2 ILE 108 4.384 5.821 9.827
864 1HD1 ILE 108 1HD1 ILE 108 1.133 5.163 9.234
865 2HD1 ILE 108 2HD1 ILE 108 0.642 3.956 8.044
866 3HD1 ILE 108 3HD1 ILE 108 2.001 5.028 7.703
867 H SER 109 H SER 109 2.082 4.381 12.612
868 HA SER 109 HA SER 109 3.720 5.941 14.183
869 1HB SER 109 2HB SER 109 1.815 6.597 15.274
870 2HB SER 109 1HB SER 109 1.065 5.770 13.912
871 HG SER 109 HG SER 109 0.950 3.894 15.262
872 H ARG 110 H ARG 110 2.782 2.625 14.635
873 HA ARG 110 HA ARG 110 3.634 2.374 17.330
874 1HB ARG 110 2HB ARG 110 2.849 0.522 15.154
875 2HB ARG 110 1HB ARG 110 3.840 -0.153 16.440
876 1HG ARG 110 2HG ARG 110 2.207 0.515 18.095
877 2HG ARG 110 1HG ARG 110 1.230 1.293 16.849
878 1HD ARG 110 2HD ARG 110 0.988 -0.910 15.736
879 2HD ARG 110 1HD ARG 110 1.857 -1.648 17.079
880 HE ARG 110 HE ARG 110 -0.885 -0.854 17.035
881 1HH1 ARG 110 1HH1 ARG 110 1.892 -1.239 19.114
882 2HH1 ARG 110 2HH1 ARG 110 0.946 -1.471 20.546
883 1HH2 ARG 110 1HH2 ARG 110 -2.132 -1.158 18.918
884 2HH2 ARG 110 2HH2 ARG 110 -1.339 -1.425 20.435
885 H TYR 111 H TYR 111 5.221 2.084 14.253
886 HA TYR 111 HA TYR 111 7.685 1.131 15.486
887 1HB TYR 111 2HB TYR 111 7.063 1.718 12.582
888 2HB TYR 111 1HB TYR 111 8.530 0.956 13.187
889 HD1 TYR 111 HD1 TYR 111 6.301 -0.043 11.182
890 HD2 TYR 111 HD2 TYR 111 7.168 -0.814 15.275
891 HE1 TYR 111 HE1 TYR 111 5.229 -2.246 10.988
892 HE2 TYR 111 HE2 TYR 111 6.098 -3.019 15.092
893 HH TYR 111 HH TYR 111 5.185 -4.374 12.058
894 H LYS 112 H LYS 112 6.340 4.007 14.004
895 HA LYS 112 HA LYS 112 8.742 5.465 13.739
896 1HB LYS 112 2HB LYS 112 5.906 5.956 13.439
897 2HB LYS 112 1HB LYS 112 6.694 7.321 14.218
898 1HG LYS 112 2HG LYS 112 7.428 8.016 12.254
899 2HG LYS 112 1HG LYS 112 8.331 6.515 12.057
900 1HD LYS 112 2HD LYS 112 6.845 5.670 10.606
901 2HD LYS 112 1HD LYS 112 5.462 6.268 11.527
902 1HE LYS 112 2HE LYS 112 5.220 7.635 9.747
903 2HE LYS 112 1HE LYS 112 6.435 8.593 10.589
904 1HZ LYS 112 1HZ LYS 112 7.195 8.397 8.399
905 2HZ LYS 112 2HZ LYS 112 6.819 6.751 8.307
906 3HZ LYS 112 3HZ LYS 112 8.115 7.267 9.263
907 H ASP 113 H ASP 113 6.464 5.056 16.385
908 HA ASP 113 HA ASP 113 7.416 7.087 18.071
909 1HB ASP 113 2HB ASP 113 6.036 4.467 18.668
910 2HB ASP 113 1HB ASP 113 6.407 5.659 19.910
911 H ALA 114 H ALA 114 8.468 3.768 17.573
912 HA ALA 114 HA ALA 114 10.222 3.591 19.770
913 1HB ALA 114 1HB ALA 114 9.336 1.832 17.931
914 2HB ALA 114 2HB ALA 114 10.722 1.540 18.981
915 3HB ALA 114 3HB ALA 114 10.971 2.116 17.332
916 H ASP 115 H ASP 115 10.725 4.630 16.421
917 HA ASP 115 HA ASP 115 13.465 5.428 17.107
918 1HB ASP 115 2HB ASP 115 13.832 5.600 14.683
919 2HB ASP 115 1HB ASP 115 13.243 4.002 15.129
920 H LEU 45 1H LEU 45 -3.188 4.542 -17.729
921 HA LEU 45 HA LEU 45 -1.172 3.639 -18.534
922 1HB LEU 45 2HB LEU 45 -2.061 5.756 -19.431
923 2HB LEU 45 1HB LEU 45 -1.103 6.648 -18.263
924 HG LEU 45 HG LEU 45 0.944 5.565 -19.342
925 1HD1 LEU 45 1HD1 LEU 45 -0.188 3.793 -20.544
926 2HD1 LEU 45 2HD1 LEU 45 0.647 4.857 -21.674
927 3HD1 LEU 45 3HD1 LEU 45 -1.102 4.977 -21.475
928 1HD2 LEU 45 1HD2 LEU 45 0.971 7.216 -21.164
929 2HD2 LEU 45 2HD2 LEU 45 0.390 7.904 -19.649
930 3HD2 LEU 45 3HD2 LEU 45 -0.754 7.490 -20.926
931 H SER 46 H SER 46 -0.369 6.298 -16.289
932 HA SER 46 HA SER 46 2.021 4.769 -15.489
933 1HB SER 46 2HB SER 46 1.747 7.611 -16.334
934 2HB SER 46 1HB SER 46 2.866 7.265 -15.015
935 HG SER 46 HG SER 46 4.103 6.097 -16.342
936 HA PRO 47 HA PRO 47 1.054 5.074 -11.212
937 1HB PRO 47 2HB PRO 47 3.486 6.756 -10.817
938 2HB PRO 47 1HB PRO 47 2.988 5.283 -9.977
939 1HG PRO 47 2HG PRO 47 4.922 5.208 -11.801
940 2HG PRO 47 1HG PRO 47 3.731 3.899 -11.685
941 1HD PRO 47 2HD PRO 47 3.938 6.102 -13.685
942 2HD PRO 47 1HD PRO 47 3.407 4.422 -13.904
943 H ASP 48 H ASP 48 2.334 8.134 -12.503
944 HA ASP 48 HA ASP 48 1.153 9.844 -10.632
945 1HB ASP 48 2HB ASP 48 1.910 10.318 -13.521
946 2HB ASP 48 1HB ASP 48 1.407 11.595 -12.421
947 H ASP 49 H ASP 49 -0.168 8.225 -13.408
948 HA ASP 49 HA ASP 49 -2.437 9.821 -13.846
949 1HB ASP 49 2HB ASP 49 -1.444 7.825 -15.225
950 2HB ASP 49 1HB ASP 49 -2.518 6.850 -14.227
951 H ILE 50 H ILE 50 -1.900 7.026 -11.752
952 HA ILE 50 HA ILE 50 -4.562 6.829 -10.817
953 HB ILE 50 HB ILE 50 -2.069 5.922 -9.383
954 1HG1 ILE 50 2HG1 ILE 50 -2.040 5.037 -11.644
955 2HG1 ILE 50 1HG1 ILE 50 -2.455 3.746 -10.519
956 1HG2 ILE 50 1HG2 ILE 50 -3.465 4.382 -8.239
957 2HG2 ILE 50 2HG2 ILE 50 -4.841 4.756 -9.278
958 3HG2 ILE 50 3HG2 ILE 50 -4.250 5.959 -8.129
959 1HD1 ILE 50 1HD1 ILE 50 -4.096 5.047 -12.609
960 2HD1 ILE 50 2HD1 ILE 50 -4.912 4.501 -11.144
961 3HD1 ILE 50 3HD1 ILE 50 -4.001 3.355 -12.127
962 H GLU 51 H GLU 51 -1.878 8.817 -9.926
963 HA GLU 51 HA GLU 51 -2.682 9.514 -7.314
964 1HB GLU 51 2HB GLU 51 -0.971 10.926 -9.355
965 2HB GLU 51 1HB GLU 51 -1.257 11.582 -7.749
966 1HG GLU 51 2HG GLU 51 -0.002 8.913 -8.346
967 2HG GLU 51 1HG GLU 51 0.865 10.382 -7.895
968 H GLN 52 H GLN 52 -3.563 10.727 -10.481
969 HA GLN 52 HA GLN 52 -4.838 13.097 -9.642
970 1HB GLN 52 2HB GLN 52 -4.900 13.373 -11.856
971 2HB GLN 52 1HB GLN 52 -4.400 11.706 -12.086
972 1HG GLN 52 2HG GLN 52 -6.709 10.983 -12.102
973 2HG GLN 52 1HG GLN 52 -7.249 12.628 -11.769
974 1HE2 GLN 52 1HE2 GLN 52 -6.129 10.411 -14.147
975 2HE2 GLN 52 2HE2 GLN 52 -6.318 11.446 -15.519
976 H TRP 53 H TRP 53 -5.893 9.768 -9.829
977 HA TRP 53 HA TRP 53 -8.653 10.107 -9.660
978 1HB TRP 53 2HB TRP 53 -6.845 7.925 -8.621
979 2HB TRP 53 1HB TRP 53 -8.600 7.833 -8.512
980 HD1 TRP 53 HD1 TRP 53 -6.490 9.007 -11.547
981 HE1 TRP 53 HE1 TRP 53 -7.108 7.530 -13.560
982 HE3 TRP 53 HE3 TRP 53 -9.694 5.767 -9.225
983 HZ2 TRP 53 HZ2 TRP 53 -8.737 5.289 -14.095
984 HZ3 TRP 53 HZ3 TRP 53 -10.740 3.986 -10.560
985 HH2 TRP 53 HH2 TRP 53 -10.272 3.752 -12.946
986 H PHE 54 H PHE 54 -6.209 10.010 -7.107
987 HA PHE 54 HA PHE 54 -8.036 10.131 -4.942
988 1HB PHE 54 2HB PHE 54 -5.107 10.852 -5.133
989 2HB PHE 54 1HB PHE 54 -6.014 10.841 -3.625
990 HD1 PHE 54 HD1 PHE 54 -6.393 8.841 -2.453
991 HD2 PHE 54 HD2 PHE 54 -4.850 8.713 -6.417
992 HE1 PHE 54 HE1 PHE 54 -5.924 6.440 -2.189
993 HE2 PHE 54 HE2 PHE 54 -4.379 6.312 -6.160
994 HZ PHE 54 HZ PHE 54 -4.916 5.173 -4.044
995 H THR 55 H THR 55 -6.609 12.532 -7.022
996 HA THR 55 HA THR 55 -7.295 14.748 -5.327
997 HB THR 55 HB THR 55 -5.819 14.324 -7.786
998 HG1 THR 55 HG1 THR 55 -4.498 15.736 -6.839
999 1HG2 THR 55 1HG2 THR 55 -7.577 16.731 -7.580
1000 2HG2 THR 55 2HG2 THR 55 -7.327 15.661 -8.960
1001 3HG2 THR 55 3HG2 THR 55 -6.044 16.762 -8.453
1002 H GLU 56 H GLU 56 -8.621 13.185 -8.187
1003 HA GLU 56 HA GLU 56 -10.583 15.072 -8.830
1004 1HB GLU 56 2HB GLU 56 -10.493 12.083 -9.226
1005 2HB GLU 56 1HB GLU 56 -11.779 13.094 -9.869
1006 1HG GLU 56 2HG GLU 56 -10.128 14.361 -11.159
1007 2HG GLU 56 1HG GLU 56 -8.850 13.323 -10.527
1008 H ASP 57 H ASP 57 -12.656 15.418 -8.167
1009 HA ASP 57 HA ASP 57 -13.776 13.687 -6.090
1010 1HB ASP 57 2HB ASP 57 -12.967 16.524 -5.767
1011 2HB ASP 57 1HB ASP 57 -14.515 16.064 -5.067
1012 HA PRO 58 HA PRO 58 -17.625 14.342 -8.125
1013 1HB PRO 58 2HB PRO 58 -19.403 14.576 -6.086
1014 2HB PRO 58 1HB PRO 58 -18.637 13.043 -6.522
1015 1HG PRO 58 2HG PRO 58 -17.928 14.964 -4.336
1016 2HG PRO 58 1HG PRO 58 -18.012 13.194 -4.286
1017 1HD PRO 58 2HD PRO 58 -15.671 14.530 -4.526
1018 2HD PRO 58 1HD PRO 58 -15.942 12.941 -5.271
Start of MODEL 4
1 HT1 PRO 1 HT2 PRO 1 -13.196 -5.620 9.312
2 HT2 PRO 1 HT1 PRO 1 -12.683 -5.773 10.932
3 HA PRO 1 HA PRO 1 -12.950 -3.510 9.386
4 1HB PRO 1 2HB PRO 1 -14.475 -2.995 11.848
5 2HB PRO 1 1HB PRO 1 -14.772 -2.434 10.199
6 1HG PRO 1 2HG PRO 1 -16.274 -4.361 11.378
7 2HG PRO 1 1HG PRO 1 -15.977 -4.307 9.634
8 1HD PRO 1 2HD PRO 1 -14.765 -6.082 11.711
9 2HD PRO 1 1HD PRO 1 -15.168 -6.435 10.019
10 H SER 2 H SER 2 -10.823 -4.761 10.454
11 HA SER 2 HA SER 2 -9.653 -2.763 12.097
12 1HB SER 2 2HB SER 2 -10.517 -5.338 13.388
13 2HB SER 2 1HB SER 2 -9.110 -4.458 13.987
14 HG SER 2 HG SER 2 -11.601 -4.007 14.591
15 H HIS 3 H HIS 3 -9.309 -6.282 11.612
16 HA HIS 3 HA HIS 3 -6.641 -5.762 10.481
17 1HB HIS 3 2HB HIS 3 -7.414 -8.049 12.303
18 2HB HIS 3 1HB HIS 3 -5.837 -7.823 11.551
19 HD1 HIS 3 HD1 HIS 3 -8.112 -6.193 14.091
20 HD2 HIS 3 HD2 HIS 3 -4.128 -6.164 12.912
21 HE1 HIS 3 HE1 HIS 3 -6.920 -4.785 15.795
22 HE2 HIS 3 HE2 HIS 3 -4.521 -4.723 15.025
23 H SER 4 H SER 4 -9.128 -6.058 9.119
24 HA SER 4 HA SER 4 -8.387 -7.717 7.032
25 1HB SER 4 2HB SER 4 -10.074 -9.535 7.202
26 2HB SER 4 1HB SER 4 -8.831 -9.625 8.454
27 HG SER 4 HG SER 4 -10.270 -9.106 9.952
28 H GLY 5 H GLY 5 -9.225 -6.634 5.418
29 1HA GLY 5 2HA GLY 5 -12.083 -6.022 5.441
30 2HA GLY 5 1HA GLY 5 -10.969 -4.676 5.242
31 H ALA 6 H ALA 6 -12.798 -6.943 3.651
32 HA ALA 6 HA ALA 6 -11.601 -7.963 1.513
33 1HB ALA 6 1HB ALA 6 -13.610 -7.182 0.127
34 2HB ALA 6 2HB ALA 6 -14.161 -6.411 1.614
35 3HB ALA 6 3HB ALA 6 -13.921 -8.158 1.563
36 H ALA 7 H ALA 7 -10.123 -7.322 0.093
37 HA ALA 7 HA ALA 7 -10.239 -4.543 -0.891
38 1HB ALA 7 1HB ALA 7 -8.547 -4.790 0.954
39 2HB ALA 7 2HB ALA 7 -7.909 -4.192 -0.578
40 3HB ALA 7 3HB ALA 7 -7.653 -5.875 -0.115
41 H ILE 8 H ILE 8 -9.325 -4.170 -2.953
42 HA ILE 8 HA ILE 8 -9.176 -6.591 -4.595
43 HB ILE 8 HB ILE 8 -9.826 -3.741 -5.223
44 1HG1 ILE 8 2HG1 ILE 8 -11.335 -5.607 -6.708
45 2HG1 ILE 8 1HG1 ILE 8 -11.182 -6.266 -5.083
46 1HG2 ILE 8 1HG2 ILE 8 -8.128 -4.201 -6.853
47 2HG2 ILE 8 2HG2 ILE 8 -9.709 -4.241 -7.631
48 3HG2 ILE 8 3HG2 ILE 8 -8.878 -5.745 -7.252
49 1HD1 ILE 8 1HD1 ILE 8 -13.169 -4.963 -5.241
50 2HD1 ILE 8 2HD1 ILE 8 -12.252 -3.574 -5.829
51 3HD1 ILE 8 3HD1 ILE 8 -12.016 -4.156 -4.180
52 H PHE 9 H PHE 9 -7.337 -7.298 -5.343
53 HA PHE 9 HA PHE 9 -5.026 -5.449 -5.348
54 1HB PHE 9 2HB PHE 9 -5.003 -7.405 -3.688
55 2HB PHE 9 1HB PHE 9 -4.780 -8.437 -5.096
56 HD1 PHE 9 HD1 PHE 9 -2.610 -9.192 -5.135
57 HD2 PHE 9 HD2 PHE 9 -3.364 -5.116 -4.173
58 HE1 PHE 9 HE1 PHE 9 -0.187 -8.761 -5.072
59 HE2 PHE 9 HE2 PHE 9 -0.944 -4.677 -4.110
60 HZ PHE 9 HZ PHE 9 0.647 -6.503 -4.561
61 H GLU 10 H GLU 10 -3.985 -5.136 -7.212
62 HA GLU 10 HA GLU 10 -3.464 -5.254 -9.427
63 1HB GLU 10 2HB GLU 10 -3.981 -8.208 -9.087
64 2HB GLU 10 1HB GLU 10 -3.050 -7.453 -10.375
65 1HG GLU 10 2HG GLU 10 -1.433 -6.655 -8.695
66 2HG GLU 10 1HG GLU 10 -2.346 -7.507 -7.449
67 H LYS 11 H LYS 11 -6.205 -4.741 -8.674
68 HA LYS 11 HA LYS 11 -8.149 -4.327 -9.797
69 1HB LYS 11 2HB LYS 11 -7.133 -5.986 -12.105
70 2HB LYS 11 1HB LYS 11 -8.376 -4.744 -12.131
71 1HG LYS 11 2HG LYS 11 -6.638 -3.062 -11.589
72 2HG LYS 11 1HG LYS 11 -5.422 -4.332 -11.727
73 1HD LYS 11 2HD LYS 11 -6.189 -4.733 -14.057
74 2HD LYS 11 1HD LYS 11 -7.276 -3.353 -13.896
75 1HE LYS 11 2HE LYS 11 -5.181 -2.020 -13.262
76 2HE LYS 11 1HE LYS 11 -4.274 -3.387 -13.910
77 1HZ LYS 11 1HZ LYS 11 -5.760 -3.042 -15.965
78 2HZ LYS 11 2HZ LYS 11 -4.467 -1.981 -15.713
79 3HZ LYS 11 3HZ LYS 11 -6.041 -1.500 -15.325
80 H VAL 12 H VAL 12 -7.020 -7.148 -8.679
81 HA VAL 12 HA VAL 12 -9.395 -8.705 -9.371
82 HB VAL 12 HB VAL 12 -6.730 -9.502 -8.214
83 1HG1 VAL 12 1HG1 VAL 12 -8.245 -10.758 -6.881
84 2HG1 VAL 12 2HG1 VAL 12 -7.711 -11.843 -8.168
85 3HG1 VAL 12 3HG1 VAL 12 -9.298 -11.078 -8.258
86 1HG2 VAL 12 1HG2 VAL 12 -8.308 -10.186 -10.663
87 2HG2 VAL 12 2HG2 VAL 12 -6.873 -11.086 -10.162
88 3HG2 VAL 12 3HG2 VAL 12 -6.742 -9.371 -10.571
89 H SER 13 H SER 13 -10.669 -9.586 -7.771
90 HA SER 13 HA SER 13 -10.726 -7.941 -5.384
91 1HB SER 13 2HB SER 13 -12.877 -9.017 -4.921
92 2HB SER 13 1HB SER 13 -12.812 -8.302 -6.530
93 HG SER 13 HG SER 13 -12.614 -10.318 -7.417
94 H GLY 14 H GLY 14 -10.654 -8.644 -3.303
95 1HA GLY 14 2HA GLY 14 -10.362 -11.336 -2.506
96 2HA GLY 14 1HA GLY 14 -8.779 -10.590 -2.672
97 H ILE 15 H ILE 15 -9.114 -11.351 -0.275
98 HA ILE 15 HA ILE 15 -10.264 -9.138 1.267
99 HB ILE 15 HB ILE 15 -9.369 -11.797 2.356
100 1HG1 ILE 15 2HG1 ILE 15 -11.150 -11.935 0.554
101 2HG1 ILE 15 1HG1 ILE 15 -11.564 -12.653 2.107
102 1HG2 ILE 15 1HG2 ILE 15 -11.277 -10.991 4.033
103 2HG2 ILE 15 2HG2 ILE 15 -10.749 -9.411 3.454
104 3HG2 ILE 15 3HG2 ILE 15 -9.587 -10.504 4.223
105 1HD1 ILE 15 1HD1 ILE 15 -13.166 -11.090 2.538
106 2HD1 ILE 15 2HD1 ILE 15 -13.243 -11.145 0.774
107 3HD1 ILE 15 3HD1 ILE 15 -12.363 -9.843 1.581
108 H ILE 16 H ILE 16 -9.008 -7.898 2.526
109 HA ILE 16 HA ILE 16 -6.132 -8.501 2.480
110 HB ILE 16 HB ILE 16 -7.631 -6.062 2.063
111 1HG1 ILE 16 2HG1 ILE 16 -4.673 -6.669 1.947
112 2HG1 ILE 16 1HG1 ILE 16 -5.821 -6.853 0.625
113 1HG2 ILE 16 1HG2 ILE 16 -6.338 -4.521 3.414
114 2HG2 ILE 16 2HG2 ILE 16 -5.553 -5.878 4.227
115 3HG2 ILE 16 3HG2 ILE 16 -7.287 -5.616 4.415
116 1HD1 ILE 16 1HD1 ILE 16 -5.629 -4.179 1.867
117 2HD1 ILE 16 2HD1 ILE 16 -5.872 -4.639 0.180
118 3HD1 ILE 16 3HD1 ILE 16 -4.262 -4.723 0.893
119 H ALA 17 H ALA 17 -5.388 -9.311 4.308
120 HA ALA 17 HA ALA 17 -6.728 -8.553 6.816
121 1HB ALA 17 1HB ALA 17 -7.225 -10.871 6.035
122 2HB ALA 17 2HB ALA 17 -6.485 -10.775 7.638
123 3HB ALA 17 3HB ALA 17 -5.511 -11.245 6.245
124 H ILE 18 H ILE 18 -5.528 -7.836 8.412
125 HA ILE 18 HA ILE 18 -2.625 -7.744 8.027
126 HB ILE 18 HB ILE 18 -4.568 -6.021 9.537
127 1HG1 ILE 18 2HG1 ILE 18 -2.357 -5.240 7.641
128 2HG1 ILE 18 1HG1 ILE 18 -3.969 -5.684 7.087
129 1HG2 ILE 18 1HG2 ILE 18 -3.067 -5.823 11.181
130 2HG2 ILE 18 2HG2 ILE 18 -2.188 -4.813 10.032
131 3HG2 ILE 18 3HG2 ILE 18 -1.760 -6.516 10.217
132 1HD1 ILE 18 1HD1 ILE 18 -3.951 -3.350 7.174
133 2HD1 ILE 18 2HD1 ILE 18 -3.152 -3.330 8.746
134 3HD1 ILE 18 3HD1 ILE 18 -4.830 -3.859 8.615
135 H ASN 19 H ASN 19 -1.252 -8.712 9.400
136 HA ASN 19 HA ASN 19 -2.359 -9.892 11.861
137 1HB ASN 19 2HB ASN 19 -1.887 -11.549 10.002
138 2HB ASN 19 1HB ASN 19 -0.183 -11.146 10.185
139 1HD2 ASN 19 1HD2 ASN 19 -0.037 -13.463 10.633
140 2HD2 ASN 19 2HD2 ASN 19 -0.298 -14.010 12.252
141 H GLU 20 H GLU 20 -1.495 -8.932 13.568
142 HA GLU 20 HA GLU 20 1.114 -7.670 13.383
143 1HB GLU 20 2HB GLU 20 -0.887 -7.743 15.648
144 2HB GLU 20 1HB GLU 20 0.597 -6.799 15.639
145 1HG GLU 20 2HG GLU 20 -0.237 -5.556 13.685
146 2HG GLU 20 1HG GLU 20 -1.744 -6.465 13.777
147 H ASP 21 H ASP 21 0.260 -10.731 13.826
148 HA ASP 21 HA ASP 21 1.759 -11.395 16.185
149 1HB ASP 21 2HB ASP 21 0.612 -13.107 13.971
150 2HB ASP 21 1HB ASP 21 1.395 -13.749 15.414
151 H VAL 22 H VAL 22 2.460 -10.787 12.903
152 HA VAL 22 HA VAL 22 4.989 -12.240 13.010
153 HB VAL 22 HB VAL 22 5.037 -11.118 10.572
154 1HG1 VAL 22 1HG1 VAL 22 4.834 -13.233 9.819
155 2HG1 VAL 22 2HG1 VAL 22 3.332 -13.513 10.697
156 3HG1 VAL 22 3HG1 VAL 22 4.879 -13.616 11.539
157 1HG2 VAL 22 1HG2 VAL 22 2.840 -10.012 10.957
158 2HG2 VAL 22 2HG2 VAL 22 2.105 -11.615 11.036
159 3HG2 VAL 22 3HG2 VAL 22 2.876 -11.069 9.546
160 H SER 23 H SER 23 6.982 -11.219 12.786
161 HA SER 23 HA SER 23 6.930 -8.292 13.076
162 1HB SER 23 2HB SER 23 7.699 -8.805 15.156
163 2HB SER 23 1HB SER 23 8.344 -10.366 14.653
164 HG SER 23 HG SER 23 10.176 -9.415 13.992
165 HA PRO 24 HA PRO 24 7.486 -6.607 12.355
166 1HB PRO 24 2HB PRO 24 7.308 -5.175 10.085
167 2HB PRO 24 1HB PRO 24 8.766 -5.173 11.083
168 1HG PRO 24 2HG PRO 24 8.194 -6.670 8.560
169 2HG PRO 24 1HG PRO 24 9.681 -5.847 9.060
170 1HD PRO 24 2HD PRO 24 9.294 -8.548 9.240
171 2HD PRO 24 1HD PRO 24 10.399 -7.637 10.288
172 H ALA 25 H ALA 25 5.308 -6.086 12.213
173 HA ALA 25 HA ALA 25 3.477 -7.961 11.428
174 1HB ALA 25 1HB ALA 25 3.190 -5.750 12.776
175 2HB ALA 25 2HB ALA 25 1.820 -6.427 11.896
176 3HB ALA 25 3HB ALA 25 2.727 -5.078 11.212
177 H GLU 26 H GLU 26 2.391 -8.510 9.592
178 HA GLU 26 HA GLU 26 2.980 -6.939 7.171
179 1HB GLU 26 2HB GLU 26 2.826 -9.953 7.288
180 2HB GLU 26 1HB GLU 26 3.252 -8.969 5.895
181 1HG GLU 26 2HG GLU 26 5.249 -8.176 7.139
182 2HG GLU 26 1HG GLU 26 4.843 -9.312 8.424
183 H LEU 27 H LEU 27 1.497 -7.389 5.367
184 HA LEU 27 HA LEU 27 -1.225 -8.015 6.301
185 1HB LEU 27 2HB LEU 27 -1.132 -5.659 5.927
186 2HB LEU 27 1HB LEU 27 -0.271 -5.866 4.413
187 HG LEU 27 HG LEU 27 -3.036 -6.977 4.695
188 1HD1 LEU 27 1HD1 LEU 27 -3.302 -4.724 5.475
189 2HD1 LEU 27 2HD1 LEU 27 -3.905 -4.824 3.822
190 3HD1 LEU 27 3HD1 LEU 27 -2.329 -4.101 4.142
191 1HD2 LEU 27 1HD2 LEU 27 -2.326 -7.607 2.645
192 2HD2 LEU 27 2HD2 LEU 27 -1.128 -6.318 2.543
193 3HD2 LEU 27 3HD2 LEU 27 -2.826 -5.971 2.213
194 H THR 28 H THR 28 -2.248 -9.579 5.186
195 HA THR 28 HA THR 28 -1.028 -10.433 2.645
196 HB THR 28 HB THR 28 -2.510 -12.133 4.655
197 HG1 THR 28 HG1 THR 28 -0.652 -12.464 5.543
198 1HG2 THR 28 1HG2 THR 28 -0.831 -13.625 2.921
199 2HG2 THR 28 2HG2 THR 28 -1.920 -12.638 1.945
200 3HG2 THR 28 3HG2 THR 28 -2.574 -13.744 3.153
201 H TRP 29 H TRP 29 -2.240 -10.443 0.884
202 HA TRP 29 HA TRP 29 -5.095 -9.903 1.124
203 1HB TRP 29 2HB TRP 29 -3.881 -8.313 -0.251
204 2HB TRP 29 1HB TRP 29 -3.172 -9.621 -1.198
205 HD1 TRP 29 HD1 TRP 29 -6.658 -8.178 -0.429
206 HE1 TRP 29 HE1 TRP 29 -8.141 -8.465 -2.525
207 HE3 TRP 29 HE3 TRP 29 -3.369 -10.729 -3.375
208 HZ2 TRP 29 HZ2 TRP 29 -7.924 -9.637 -5.088
209 HZ3 TRP 29 HZ3 TRP 29 -4.077 -11.406 -5.632
210 HH2 TRP 29 HH2 TRP 29 -6.305 -10.871 -6.469
211 H ARG 30 H ARG 30 -6.517 -11.459 0.698
212 HA ARG 30 HA ARG 30 -5.616 -13.769 -0.907
213 1HB ARG 30 2HB ARG 30 -5.810 -14.409 1.442
214 2HB ARG 30 1HB ARG 30 -7.455 -13.793 1.493
215 1HG ARG 30 2HG ARG 30 -8.185 -15.799 0.919
216 2HG ARG 30 1HG ARG 30 -7.369 -15.624 -0.636
217 1HD ARG 30 2HD ARG 30 -5.582 -16.368 1.556
218 2HD ARG 30 1HD ARG 30 -6.845 -17.557 1.238
219 HE ARG 30 HE ARG 30 -5.799 -16.920 -1.221
220 1HH1 ARG 30 1HH1 ARG 30 -4.559 -18.216 1.773
221 2HH1 ARG 30 2HH1 ARG 30 -3.314 -19.141 1.003
222 1HH2 ARG 30 1HH2 ARG 30 -4.162 -18.137 -2.237
223 2HH2 ARG 30 2HH2 ARG 30 -3.089 -19.097 -1.273
224 H SER 31 H SER 31 -6.674 -13.858 -2.776
225 HA SER 31 HA SER 31 -8.746 -12.308 -3.631
226 1HB SER 31 2HB SER 31 -8.428 -15.197 -4.456
227 2HB SER 31 1HB SER 31 -9.100 -13.878 -5.413
228 HG SER 31 HG SER 31 -7.155 -13.436 -6.032
229 H THR 32 H THR 32 -11.032 -12.771 -4.040
230 HA THR 32 HA THR 32 -12.389 -13.593 -1.708
231 HB THR 32 HB THR 32 -14.066 -13.608 -4.071
232 HG1 THR 32 HG1 THR 32 -13.590 -11.619 -4.871
233 1HG2 THR 32 1HG2 THR 32 -14.825 -13.038 -1.794
234 2HG2 THR 32 2HG2 THR 32 -15.210 -11.801 -2.991
235 3HG2 THR 32 3HG2 THR 32 -13.864 -11.563 -1.879
236 H ASP 33 H ASP 33 -11.734 -15.033 -4.806
237 HA ASP 33 HA ASP 33 -13.183 -17.422 -4.186
238 1HB ASP 33 2HB ASP 33 -12.432 -18.198 -6.418
239 2HB ASP 33 1HB ASP 33 -13.250 -16.639 -6.476
240 H GLY 34 H GLY 34 -9.987 -16.251 -3.861
241 1HA GLY 34 2HA GLY 34 -8.290 -17.258 -2.608
242 2HA GLY 34 1HA GLY 34 -9.164 -18.780 -2.686
243 H ASP 35 H ASP 35 -8.394 -16.817 -5.495
244 HA ASP 35 HA ASP 35 -6.780 -19.034 -6.510
245 1HB ASP 35 2HB ASP 35 -8.694 -18.240 -7.878
246 2HB ASP 35 1HB ASP 35 -7.911 -16.668 -8.010
247 H LYS 36 H LYS 36 -6.524 -15.764 -5.456
248 HA LYS 36 HA LYS 36 -3.671 -15.791 -6.177
249 1HB LYS 36 2HB LYS 36 -5.179 -13.205 -6.090
250 2HB LYS 36 1HB LYS 36 -3.684 -13.591 -6.927
251 1HG LYS 36 2HG LYS 36 -5.579 -15.249 -8.099
252 2HG LYS 36 1HG LYS 36 -6.412 -13.712 -7.865
253 1HD LYS 36 2HD LYS 36 -3.753 -14.092 -9.241
254 2HD LYS 36 1HD LYS 36 -5.300 -13.812 -10.045
255 1HE LYS 36 2HE LYS 36 -5.433 -11.670 -8.667
256 2HE LYS 36 1HE LYS 36 -3.728 -11.933 -8.304
257 1HZ LYS 36 1HZ LYS 36 -3.115 -11.553 -10.467
258 2HZ LYS 36 2HZ LYS 36 -4.417 -10.483 -10.323
259 3HZ LYS 36 3HZ LYS 36 -4.627 -11.968 -11.103
260 H VAL 37 H VAL 37 -2.256 -14.991 -4.662
261 HA VAL 37 HA VAL 37 -3.368 -13.866 -2.196
262 HB VAL 37 HB VAL 37 -3.106 -16.297 -1.826
263 1HG1 VAL 37 1HG1 VAL 37 -1.111 -16.450 -3.411
264 2HG1 VAL 37 2HG1 VAL 37 -1.044 -17.405 -1.931
265 3HG1 VAL 37 3HG1 VAL 37 -0.138 -15.897 -2.048
266 1HG2 VAL 37 1HG2 VAL 37 -1.504 -16.039 0.179
267 2HG2 VAL 37 2HG2 VAL 37 -2.972 -15.062 0.140
268 3HG2 VAL 37 3HG2 VAL 37 -1.423 -14.345 -0.300
269 H HIS 38 H HIS 38 -2.139 -12.309 -1.278
270 HA HIS 38 HA HIS 38 0.622 -11.967 -2.210
271 1HB HIS 38 2HB HIS 38 -0.857 -10.486 -3.547
272 2HB HIS 38 1HB HIS 38 -1.370 -9.709 -2.056
273 HD1 HIS 38 HD1 HIS 38 1.933 -10.395 -3.826
274 HD2 HIS 38 HD2 HIS 38 0.065 -7.493 -1.513
275 HE1 HIS 38 HE1 HIS 38 3.572 -8.492 -3.684
276 HE2 HIS 38 HE2 HIS 38 2.454 -6.784 -2.208
277 H THR 39 H THR 39 2.009 -10.970 -0.793
278 HA THR 39 HA THR 39 0.949 -10.392 1.894
279 HB THR 39 HB THR 39 3.535 -11.836 1.285
280 HG1 THR 39 HG1 THR 39 1.053 -12.780 2.268
281 1HG2 THR 39 1HG2 THR 39 3.910 -10.785 3.320
282 2HG2 THR 39 2HG2 THR 39 3.334 -12.390 3.770
283 3HG2 THR 39 3HG2 THR 39 2.241 -11.007 3.851
284 H VAL 40 H VAL 40 1.728 -8.599 2.891
285 HA VAL 40 HA VAL 40 3.990 -7.194 1.634
286 HB VAL 40 HB VAL 40 1.415 -5.894 2.532
287 1HG1 VAL 40 1HG1 VAL 40 2.867 -3.979 1.215
288 2HG1 VAL 40 2HG1 VAL 40 4.115 -4.845 2.119
289 3HG1 VAL 40 3HG1 VAL 40 2.739 -4.138 2.969
290 1HG2 VAL 40 1HG2 VAL 40 1.202 -5.222 0.178
291 2HG2 VAL 40 2HG2 VAL 40 1.187 -6.976 0.371
292 3HG2 VAL 40 3HG2 VAL 40 2.642 -6.165 -0.211
293 H VAL 41 H VAL 41 5.356 -6.147 2.984
294 HA VAL 41 HA VAL 41 5.072 -6.696 5.830
295 HB VAL 41 HB VAL 41 7.252 -7.156 5.136
296 1HG1 VAL 41 1HG1 VAL 41 7.488 -6.406 2.999
297 2HG1 VAL 41 2HG1 VAL 41 8.570 -5.311 3.856
298 3HG1 VAL 41 3HG1 VAL 41 6.952 -4.773 3.392
299 1HG2 VAL 41 1HG2 VAL 41 7.259 -5.805 7.160
300 2HG2 VAL 41 2HG2 VAL 41 7.388 -4.339 6.192
301 3HG2 VAL 41 3HG2 VAL 41 8.707 -5.510 6.198
302 H LEU 42 H LEU 42 4.100 -5.272 7.104
303 HA LEU 42 HA LEU 42 3.363 -2.689 6.198
304 1HB LEU 42 2HB LEU 42 3.241 -3.786 9.003
305 2HB LEU 42 1HB LEU 42 2.349 -2.409 8.382
306 HG LEU 42 HG LEU 42 1.983 -5.300 7.603
307 1HD1 LEU 42 1HD1 LEU 42 -0.229 -3.620 8.595
308 2HD1 LEU 42 2HD1 LEU 42 1.003 -4.075 9.771
309 3HD1 LEU 42 3HD1 LEU 42 0.126 -5.322 8.884
310 1HD2 LEU 42 1HD2 LEU 42 1.141 -2.787 6.288
311 2HD2 LEU 42 2HD2 LEU 42 -0.062 -4.070 6.411
312 3HD2 LEU 42 3HD2 LEU 42 1.472 -4.376 5.597
313 H SER 43 H SER 43 6.008 -3.863 8.166
314 HA SER 43 HA SER 43 6.735 -1.542 9.495
315 1HB SER 43 2HB SER 43 7.979 -3.326 10.220
316 2HB SER 43 1HB SER 43 8.201 -3.971 8.594
317 HG SER 43 HG SER 43 9.915 -2.732 8.321
318 H THR 44 H THR 44 6.960 -2.255 6.142
319 HA THR 44 HA THR 44 8.925 -0.178 5.647
320 HB THR 44 HB THR 44 9.242 -1.106 3.605
321 HG1 THR 44 HG1 THR 44 7.670 -1.411 2.199
322 1HG2 THR 44 1HG2 THR 44 9.176 -3.062 5.165
323 2HG2 THR 44 2HG2 THR 44 8.887 -3.433 3.466
324 3HG2 THR 44 3HG2 THR 44 7.536 -3.362 4.596
325 H ILE 45 H ILE 45 5.504 -0.580 5.618
326 HA ILE 45 HA ILE 45 4.721 1.397 3.838
327 HB ILE 45 HB ILE 45 3.354 0.652 6.426
328 1HG1 ILE 45 2HG1 ILE 45 3.739 -1.296 5.016
329 2HG1 ILE 45 1HG1 ILE 45 2.029 -0.874 4.994
330 1HG2 ILE 45 1HG2 ILE 45 2.545 2.309 4.087
331 2HG2 ILE 45 2HG2 ILE 45 2.220 2.545 5.802
332 3HG2 ILE 45 3HG2 ILE 45 1.326 1.327 4.896
333 1HD1 ILE 45 1HD1 ILE 45 2.238 -1.095 2.783
334 2HD1 ILE 45 2HD1 ILE 45 3.993 -0.918 2.831
335 3HD1 ILE 45 3HD1 ILE 45 2.961 0.512 2.852
336 H ASP 46 H ASP 46 6.031 3.194 3.937
337 HA ASP 46 HA ASP 46 6.442 4.645 6.377
338 1HB ASP 46 2HB ASP 46 7.906 4.479 4.164
339 2HB ASP 46 1HB ASP 46 6.961 5.899 3.725
340 H LYS 47 H LYS 47 4.120 4.747 3.772
341 HA LYS 47 HA LYS 47 2.706 6.862 5.187
342 1HB LYS 47 2HB LYS 47 3.388 7.110 2.253
343 2HB LYS 47 1HB LYS 47 2.390 8.220 3.180
344 1HG LYS 47 2HG LYS 47 5.295 7.667 3.746
345 2HG LYS 47 1HG LYS 47 4.698 9.025 2.790
346 1HD LYS 47 2HD LYS 47 3.410 8.737 5.408
347 2HD LYS 47 1HD LYS 47 5.139 9.078 5.484
348 1HE LYS 47 2HE LYS 47 4.912 11.148 4.568
349 2HE LYS 47 1HE LYS 47 3.524 10.682 3.589
350 1HZ LYS 47 1HZ LYS 47 3.123 10.709 6.471
351 2HZ LYS 47 2HZ LYS 47 2.083 11.192 5.229
352 3HZ LYS 47 3HZ LYS 47 3.328 12.218 5.734
353 H LEU 48 H LEU 48 0.498 6.950 4.770
354 HA LEU 48 HA LEU 48 -0.564 4.668 3.236
355 1HB LEU 48 2HB LEU 48 -1.513 5.958 5.781
356 2HB LEU 48 1HB LEU 48 -2.582 4.980 4.796
357 HG LEU 48 HG LEU 48 -0.022 4.032 6.082
358 1HD1 LEU 48 1HD1 LEU 48 -2.720 2.975 6.750
359 2HD1 LEU 48 2HD1 LEU 48 -2.224 4.521 7.439
360 3HD1 LEU 48 3HD1 LEU 48 -1.266 3.071 7.743
361 1HD2 LEU 48 1HD2 LEU 48 -0.294 2.797 4.089
362 2HD2 LEU 48 2HD2 LEU 48 -2.036 2.662 4.320
363 3HD2 LEU 48 3HD2 LEU 48 -0.936 1.780 5.378
364 H GLN 49 H GLN 49 -1.763 5.167 1.524
365 HA GLN 49 HA GLN 49 -2.920 7.872 1.378
366 1HB GLN 49 2HB GLN 49 -1.345 6.311 -0.527
367 2HB GLN 49 1HB GLN 49 -2.833 6.939 -1.223
368 1HG GLN 49 2HG GLN 49 -1.091 8.512 -1.625
369 2HG GLN 49 1HG GLN 49 -2.190 9.198 -0.429
370 1HE2 GLN 49 1HE2 GLN 49 -0.758 10.565 0.523
371 2HE2 GLN 49 2HE2 GLN 49 0.621 10.039 1.423
372 H ALA 50 H ALA 50 -5.040 8.100 0.876
373 HA ALA 50 HA ALA 50 -6.568 5.781 -0.016
374 1HB ALA 50 1HB ALA 50 -7.679 7.278 2.307
375 2HB ALA 50 2HB ALA 50 -6.456 6.041 2.596
376 3HB ALA 50 3HB ALA 50 -7.967 5.616 1.793
377 H THR 51 H THR 51 -8.590 6.303 -0.933
378 HA THR 51 HA THR 51 -8.665 8.892 -2.154
379 HB THR 51 HB THR 51 -10.765 8.045 -3.212
380 HG1 THR 51 HG1 THR 51 -11.549 6.685 -1.650
381 1HG2 THR 51 1HG2 THR 51 -8.596 7.558 -4.260
382 2HG2 THR 51 2HG2 THR 51 -9.791 6.290 -4.539
383 3HG2 THR 51 3HG2 THR 51 -8.516 6.052 -3.343
384 HA PRO 52 HA PRO 52 -11.017 10.917 1.039
385 1HB PRO 52 2HB PRO 52 -11.913 13.023 -0.474
386 2HB PRO 52 1HB PRO 52 -10.300 12.935 0.239
387 1HG PRO 52 2HG PRO 52 -11.175 12.314 -2.553
388 2HG PRO 52 1HG PRO 52 -9.730 13.181 -1.999
389 1HD PRO 52 2HD PRO 52 -9.620 10.617 -2.793
390 2HD PRO 52 1HD PRO 52 -8.608 11.226 -1.468
391 H ALA 53 H ALA 53 -13.196 11.440 1.571
392 HA ALA 53 HA ALA 53 -15.110 9.659 0.570
393 1HB ALA 53 1HB ALA 53 -14.954 11.091 2.806
394 2HB ALA 53 2HB ALA 53 -16.482 10.447 2.203
395 3HB ALA 53 3HB ALA 53 -16.054 12.132 1.903
396 H SER 54 H SER 54 -14.591 13.105 -0.075
397 HA SER 54 HA SER 54 -16.850 13.549 -1.659
398 1HB SER 54 2HB SER 54 -14.139 14.867 -1.921
399 2HB SER 54 1HB SER 54 -15.670 15.506 -2.519
400 HG SER 54 HG SER 54 -14.675 16.057 -0.250
401 H SER 55 H SER 55 -13.853 11.982 -2.353
402 HA SER 55 HA SER 55 -14.193 12.025 -5.203
403 1HB SER 55 2HB SER 55 -11.935 12.050 -4.374
404 2HB SER 55 1HB SER 55 -12.223 10.598 -3.415
405 HG SER 55 HG SER 55 -11.498 10.818 -6.005
406 H GLU 56 H GLU 56 -15.494 10.718 -6.270
407 HA GLU 56 HA GLU 56 -16.966 8.643 -5.130
408 1HB GLU 56 2HB GLU 56 -16.237 9.098 -8.028
409 2HB GLU 56 1HB GLU 56 -17.475 7.980 -7.471
410 1HG GLU 56 2HG GLU 56 -18.701 9.868 -6.481
411 2HG GLU 56 1HG GLU 56 -17.480 10.969 -7.118
412 H LYS 57 H LYS 57 -13.720 8.732 -6.179
413 HA LYS 57 HA LYS 57 -13.297 6.073 -6.959
414 1HB LYS 57 2HB LYS 57 -11.323 7.829 -5.496
415 2HB LYS 57 1HB LYS 57 -10.957 6.479 -6.562
416 1HG LYS 57 2HG LYS 57 -12.151 9.130 -7.339
417 2HG LYS 57 1HG LYS 57 -10.535 8.532 -7.720
418 1HD LYS 57 2HD LYS 57 -11.750 6.595 -8.890
419 2HD LYS 57 1HD LYS 57 -13.185 7.615 -8.794
420 1HE LYS 57 2HE LYS 57 -10.619 8.654 -9.942
421 2HE LYS 57 1HE LYS 57 -11.737 7.710 -10.926
422 1HZ LYS 57 1HZ LYS 57 -13.405 9.481 -9.867
423 2HZ LYS 57 2HZ LYS 57 -12.598 9.734 -11.332
424 3HZ LYS 57 3HZ LYS 57 -11.998 10.418 -9.907
425 H MET 58 H MET 58 -12.293 4.335 -5.791
426 HA MET 58 HA MET 58 -12.549 4.401 -2.876
427 1HB MET 58 2HB MET 58 -13.751 2.168 -4.505
428 2HB MET 58 1HB MET 58 -13.888 2.434 -2.772
429 1HG MET 58 2HG MET 58 -15.072 4.609 -3.370
430 2HG MET 58 1HG MET 58 -15.188 3.955 -5.003
431 1HE MET 58 1HE MET 58 -15.587 3.023 -1.329
432 2HE MET 58 2HE MET 58 -15.446 1.371 -1.929
433 3HE MET 58 3HE MET 58 -16.984 1.942 -1.283
434 H MET 59 H MET 59 -10.195 4.395 -3.093
435 HA MET 59 HA MET 59 -9.179 1.668 -3.251
436 1HB MET 59 2HB MET 59 -8.274 3.925 -5.009
437 2HB MET 59 1HB MET 59 -7.175 2.622 -4.584
438 1HG MET 59 2HG MET 59 -8.042 1.309 -6.135
439 2HG MET 59 1HG MET 59 -9.662 1.529 -5.485
440 1HE MET 59 1HE MET 59 -6.948 3.613 -6.995
441 2HE MET 59 2HE MET 59 -8.011 5.018 -6.895
442 3HE MET 59 3HE MET 59 -7.620 4.317 -8.467
443 H LEU 60 H LEU 60 -6.867 1.552 -2.537
444 HA LEU 60 HA LEU 60 -6.119 3.693 -0.676
445 1HB LEU 60 2HB LEU 60 -7.362 1.740 0.440
446 2HB LEU 60 1HB LEU 60 -5.928 0.791 0.094
447 HG LEU 60 HG LEU 60 -4.622 2.558 1.390
448 1HD1 LEU 60 1HD1 LEU 60 -5.656 4.209 2.515
449 2HD1 LEU 60 2HD1 LEU 60 -7.071 3.222 2.878
450 3HD1 LEU 60 3HD1 LEU 60 -6.909 3.985 1.296
451 1HD2 LEU 60 1HD2 LEU 60 -6.377 0.426 2.364
452 2HD2 LEU 60 2HD2 LEU 60 -5.901 1.593 3.598
453 3HD2 LEU 60 3HD2 LEU 60 -4.670 0.726 2.680
454 H ARG 61 H ARG 61 -4.016 4.216 -0.850
455 HA ARG 61 HA ARG 61 -2.266 2.326 -2.285
456 1HB ARG 61 2HB ARG 61 -2.637 4.310 -3.592
457 2HB ARG 61 1HB ARG 61 -2.242 5.342 -2.226
458 1HG ARG 61 2HG ARG 61 -0.040 5.192 -2.589
459 2HG ARG 61 1HG ARG 61 -0.116 3.471 -2.964
460 1HD ARG 61 2HD ARG 61 -1.410 4.713 -5.092
461 2HD ARG 61 1HD ARG 61 -0.031 5.753 -4.744
462 HE ARG 61 HE ARG 61 0.837 3.088 -4.795
463 1HH1 ARG 61 1HH1 ARG 61 -0.364 5.545 -6.963
464 2HH1 ARG 61 2HH1 ARG 61 0.476 4.919 -8.340
465 1HH2 ARG 61 1HH2 ARG 61 1.944 2.261 -6.607
466 2HH2 ARG 61 2HH2 ARG 61 1.786 3.054 -8.139
467 H LEU 62 H LEU 62 -0.667 1.463 -1.170
468 HA LEU 62 HA LEU 62 0.172 2.682 1.365
469 1HB LEU 62 2HB LEU 62 0.585 -0.056 0.165
470 2HB LEU 62 1HB LEU 62 1.403 0.474 1.618
471 HG LEU 62 HG LEU 62 -0.475 0.295 2.917
472 1HD1 LEU 62 1HD1 LEU 62 -2.165 0.706 0.455
473 2HD1 LEU 62 2HD1 LEU 62 -1.850 1.889 1.723
474 3HD1 LEU 62 3HD1 LEU 62 -2.784 0.439 2.083
475 1HD2 LEU 62 1HD2 LEU 62 -0.799 -1.648 0.654
476 2HD2 LEU 62 2HD2 LEU 62 -1.832 -1.688 2.084
477 3HD2 LEU 62 3HD2 LEU 62 -0.090 -1.921 2.246
478 H ILE 63 H ILE 63 2.235 3.378 1.726
479 HA ILE 63 HA ILE 63 4.033 3.353 -0.611
480 HB ILE 63 HB ILE 63 4.099 5.402 1.589
481 1HG1 ILE 63 2HG1 ILE 63 2.004 5.085 -0.240
482 2HG1 ILE 63 1HG1 ILE 63 2.348 6.512 0.724
483 1HG2 ILE 63 1HG2 ILE 63 5.301 5.222 -1.161
484 2HG2 ILE 63 2HG2 ILE 63 6.135 5.320 0.391
485 3HG2 ILE 63 3HG2 ILE 63 5.253 6.718 -0.227
486 1HD1 ILE 63 1HD1 ILE 63 3.516 7.537 -1.052
487 2HD1 ILE 63 2HD1 ILE 63 2.021 6.889 -1.731
488 3HD1 ILE 63 3HD1 ILE 63 3.548 6.040 -1.987
489 H GLY 64 H GLY 64 5.788 2.144 -0.362
490 1HA GLY 64 2HA GLY 64 6.610 1.328 2.312
491 2HA GLY 64 1HA GLY 64 7.211 0.679 0.794
492 H LYS 65 H LYS 65 8.724 1.557 3.127
493 HA LYS 65 HA LYS 65 9.887 4.074 2.781
494 1HB LYS 65 2HB LYS 65 11.034 1.539 3.956
495 2HB LYS 65 1HB LYS 65 11.819 3.108 4.061
496 1HG LYS 65 2HG LYS 65 9.543 3.857 5.094
497 2HG LYS 65 1HG LYS 65 9.349 2.132 5.409
498 1HD LYS 65 2HD LYS 65 11.118 2.064 6.880
499 2HD LYS 65 1HD LYS 65 11.906 3.470 6.162
500 1HE LYS 65 2HE LYS 65 9.262 3.953 7.373
501 2HE LYS 65 1HE LYS 65 10.554 3.528 8.495
502 1HZ LYS 65 1HZ LYS 65 11.890 5.329 7.444
503 2HZ LYS 65 2HZ LYS 65 10.522 5.878 8.274
504 3HZ LYS 65 3HZ LYS 65 10.509 5.796 6.584
505 H VAL 66 H VAL 66 11.480 4.857 1.507
506 HA VAL 66 HA VAL 66 12.250 3.291 -0.781
507 HB VAL 66 HB VAL 66 11.747 5.852 -0.636
508 1HG1 VAL 66 1HG1 VAL 66 14.688 6.172 -0.509
509 2HG1 VAL 66 2HG1 VAL 66 13.805 6.000 1.007
510 3HG1 VAL 66 3HG1 VAL 66 13.406 7.312 -0.102
511 1HG2 VAL 66 1HG2 VAL 66 14.015 5.643 -2.406
512 2HG2 VAL 66 2HG2 VAL 66 12.302 5.817 -2.784
513 3HG2 VAL 66 3HG2 VAL 66 12.982 4.216 -2.500
514 H ASP 67 H ASP 67 14.761 4.161 -1.350
515 HA ASP 67 HA ASP 67 16.528 3.445 0.835
516 1HB ASP 67 2HB ASP 67 17.589 1.635 -0.383
517 2HB ASP 67 1HB ASP 67 15.866 1.309 -0.230
518 H GLU 68 H GLU 68 16.555 5.893 0.061
519 HA GLU 68 HA GLU 68 17.852 6.654 -2.269
520 1HB GLU 68 2HB GLU 68 17.827 7.954 0.454
521 2HB GLU 68 1HB GLU 68 18.506 8.719 -0.975
522 1HG GLU 68 2HG GLU 68 16.293 8.542 -2.069
523 2HG GLU 68 1HG GLU 68 15.642 7.901 -0.561
524 H SER 69 H SER 69 19.131 5.156 0.543
525 HA SER 69 HA SER 69 21.794 6.001 0.437
526 1HB SER 69 2HB SER 69 20.800 4.705 2.310
527 2HB SER 69 1HB SER 69 20.775 3.277 1.276
528 HG SER 69 HG SER 69 23.023 4.702 2.235
529 H LYS 70 H LYS 70 20.023 4.042 -1.729
530 HA LYS 70 HA LYS 70 22.166 2.458 -2.727
531 1HB LYS 70 2HB LYS 70 19.552 3.237 -4.032
532 2HB LYS 70 1HB LYS 70 20.647 1.993 -4.618
533 1HG LYS 70 2HG LYS 70 19.199 1.964 -1.977
534 2HG LYS 70 1HG LYS 70 18.768 1.029 -3.411
535 1HD LYS 70 2HD LYS 70 21.010 -0.050 -3.300
536 2HD LYS 70 1HD LYS 70 21.293 0.793 -1.777
537 1HE LYS 70 2HE LYS 70 20.446 -1.095 -0.881
538 2HE LYS 70 1HE LYS 70 18.901 -0.335 -1.261
539 1HZ LYS 70 1HZ LYS 70 18.864 -2.558 -2.070
540 2HZ LYS 70 2HZ LYS 70 20.339 -2.368 -2.876
541 3HZ LYS 70 3HZ LYS 70 18.968 -1.537 -3.415
542 H LYS 71 H LYS 71 20.571 5.404 -3.943
543 HA LYS 71 HA LYS 71 21.287 7.056 -5.328
544 1HB LYS 71 2HB LYS 71 23.793 6.036 -4.124
545 2HB LYS 71 1HB LYS 71 23.973 6.992 -5.590
546 1HG LYS 71 2HG LYS 71 22.321 7.978 -3.297
547 2HG LYS 71 1HG LYS 71 24.074 8.186 -3.324
548 1HD LYS 71 2HD LYS 71 23.823 9.282 -5.561
549 2HD LYS 71 1HD LYS 71 22.074 9.224 -5.327
550 1HE LYS 71 2HE LYS 71 23.625 10.382 -3.106
551 2HE LYS 71 1HE LYS 71 23.632 11.310 -4.605
552 1HZ LYS 71 1HZ LYS 71 21.065 10.821 -4.451
553 2HZ LYS 71 2HZ LYS 71 21.763 12.133 -3.643
554 3HZ LYS 71 3HZ LYS 71 21.412 10.710 -2.798
555 H ARG 72 H ARG 72 20.397 6.351 -7.221
556 HA ARG 72 HA ARG 72 21.964 4.527 -8.897
557 1HB ARG 72 2HB ARG 72 19.128 5.529 -9.203
558 2HB ARG 72 1HB ARG 72 19.921 4.392 -10.286
559 1HG ARG 72 2HG ARG 72 19.439 3.906 -7.354
560 2HG ARG 72 1HG ARG 72 18.403 3.320 -8.659
561 1HD ARG 72 2HD ARG 72 20.356 2.117 -9.601
562 2HD ARG 72 1HD ARG 72 21.303 2.627 -8.203
563 HE ARG 72 HE ARG 72 19.173 1.393 -7.086
564 1HH1 ARG 72 1HH1 ARG 72 21.459 0.444 -9.546
565 2HH1 ARG 72 2HH1 ARG 72 21.365 -1.241 -9.160
566 1HH2 ARG 72 1HH2 ARG 72 19.048 -0.822 -6.575
567 2HH2 ARG 72 2HH2 ARG 72 19.997 -1.961 -7.473
568 H LYS 73 H LYS 73 21.897 5.053 -11.302
569 HA LYS 73 HA LYS 73 22.248 7.949 -11.699
570 1HB LYS 73 2HB LYS 73 23.934 5.735 -12.877
571 2HB LYS 73 1HB LYS 73 24.093 7.445 -13.256
572 1HG LYS 73 2HG LYS 73 24.247 7.322 -10.482
573 2HG LYS 73 1HG LYS 73 25.177 5.934 -11.051
574 1HD LYS 73 2HD LYS 73 26.027 7.878 -12.752
575 2HD LYS 73 1HD LYS 73 25.734 8.809 -11.283
576 1HE LYS 73 2HE LYS 73 27.104 7.088 -10.056
577 2HE LYS 73 1HE LYS 73 27.545 6.429 -11.630
578 1HZ LYS 73 1HZ LYS 73 29.172 8.030 -10.684
579 2HZ LYS 73 2HZ LYS 73 28.013 9.250 -10.842
580 3HZ LYS 73 3HZ LYS 73 28.600 8.460 -12.217
581 H ASP 74 H ASP 74 21.653 8.802 -13.686
582 HA ASP 74 HA ASP 74 19.663 7.251 -15.114
583 1HB ASP 74 2HB ASP 74 19.549 9.771 -14.395
584 2HB ASP 74 1HB ASP 74 20.457 10.038 -15.881
585 H ASN 75 H ASN 75 19.622 7.605 -17.583
586 HA ASN 75 HA ASN 75 21.847 6.302 -18.690
587 1HB ASN 75 2HB ASN 75 19.617 7.831 -20.042
588 2HB ASN 75 1HB ASN 75 20.774 6.806 -20.885
589 1HD2 ASN 75 1HD2 ASN 75 18.009 6.430 -20.955
590 2HD2 ASN 75 2HD2 ASN 75 17.640 4.930 -20.181
591 H GLU 76 H GLU 76 21.320 9.614 -18.021
592 HA GLU 76 HA GLU 76 23.183 10.573 -20.023
593 1HB GLU 76 2HB GLU 76 21.792 12.013 -17.759
594 2HB GLU 76 1HB GLU 76 22.775 12.787 -18.995
595 1HG GLU 76 2HG GLU 76 21.207 11.977 -20.712
596 2HG GLU 76 1HG GLU 76 20.205 11.284 -19.438
597 H GLY 77 H GLY 77 23.674 8.902 -17.297
598 1HA GLY 77 2HA GLY 77 25.700 8.509 -16.226
599 2HA GLY 77 1HA GLY 77 26.357 9.944 -16.996
600 H ASN 78 H ASN 78 23.450 10.792 -15.627
601 HA ASN 78 HA ASN 78 24.820 12.056 -13.388
602 1HB ASN 78 2HB ASN 78 22.785 13.390 -13.148
603 2HB ASN 78 1HB ASN 78 23.353 13.426 -14.813
604 1HD2 ASN 78 1HD2 ASN 78 21.696 13.463 -16.134
605 2HD2 ASN 78 2HD2 ASN 78 20.253 12.525 -15.992
606 H GLU 79 H GLU 79 23.557 12.182 -11.284
607 HA GLU 79 HA GLU 79 22.790 9.461 -10.542
608 1HB GLU 79 2HB GLU 79 23.519 11.889 -8.901
609 2HB GLU 79 1HB GLU 79 22.959 10.380 -8.194
610 1HG GLU 79 2HG GLU 79 25.294 10.374 -10.051
611 2HG GLU 79 1HG GLU 79 25.499 10.874 -8.372
612 H VAL 80 H VAL 80 20.903 9.035 -9.275
613 HA VAL 80 HA VAL 80 18.852 11.131 -9.306
614 HB VAL 80 HB VAL 80 17.206 9.850 -10.347
615 1HG1 VAL 80 1HG1 VAL 80 18.059 9.302 -12.495
616 2HG1 VAL 80 2HG1 VAL 80 19.669 8.987 -11.845
617 3HG1 VAL 80 3HG1 VAL 80 19.036 10.633 -11.873
618 1HG2 VAL 80 1HG2 VAL 80 18.903 7.506 -9.621
619 2HG2 VAL 80 2HG2 VAL 80 17.798 7.372 -10.988
620 3HG2 VAL 80 3HG2 VAL 80 17.171 7.759 -9.383
621 H VAL 81 H VAL 81 17.029 10.681 -7.904
622 HA VAL 81 HA VAL 81 17.837 9.075 -5.581
623 HB VAL 81 HB VAL 81 15.657 11.165 -5.730
624 1HG1 VAL 81 1HG1 VAL 81 17.013 10.184 -3.246
625 2HG1 VAL 81 2HG1 VAL 81 15.650 9.305 -3.941
626 3HG1 VAL 81 3HG1 VAL 81 15.449 10.978 -3.422
627 1HG2 VAL 81 1HG2 VAL 81 18.298 11.714 -5.974
628 2HG2 VAL 81 2HG2 VAL 81 18.111 11.755 -4.221
629 3HG2 VAL 81 3HG2 VAL 81 17.122 12.803 -5.237
630 HA PRO 82 HA PRO 82 14.999 6.054 -7.503
631 1HB PRO 82 2HB PRO 82 15.534 4.944 -4.771
632 2HB PRO 82 1HB PRO 82 15.462 4.109 -6.328
633 1HG PRO 82 2HG PRO 82 17.805 4.716 -5.195
634 2HG PRO 82 1HG PRO 82 17.578 4.797 -6.950
635 1HD PRO 82 2HD PRO 82 17.850 6.989 -4.980
636 2HD PRO 82 1HD PRO 82 18.215 6.975 -6.715
637 H LYS 83 H LYS 83 12.830 5.680 -7.258
638 HA LYS 83 HA LYS 83 11.434 7.353 -5.346
639 1HB LYS 83 2HB LYS 83 10.694 5.818 -7.790
640 2HB LYS 83 1HB LYS 83 9.427 6.126 -6.611
641 1HG LYS 83 2HG LYS 83 10.468 8.590 -6.808
642 2HG LYS 83 1HG LYS 83 10.823 7.980 -8.425
643 1HD LYS 83 2HD LYS 83 8.446 7.349 -8.670
644 2HD LYS 83 1HD LYS 83 8.119 8.056 -7.087
645 1HE LYS 83 2HE LYS 83 7.629 9.893 -8.295
646 2HE LYS 83 1HE LYS 83 9.378 10.118 -8.289
647 1HZ LYS 83 1HZ LYS 83 8.978 10.266 -10.503
648 2HZ LYS 83 2HZ LYS 83 7.621 9.258 -10.460
649 3HZ LYS 83 3HZ LYS 83 9.173 8.587 -10.405
650 HA PRO 84 HA PRO 84 10.593 4.269 -2.356
651 1HB PRO 84 2HB PRO 84 8.090 5.666 -1.764
652 2HB PRO 84 1HB PRO 84 9.535 5.475 -0.764
653 1HG PRO 84 2HG PRO 84 8.930 7.831 -1.828
654 2HG PRO 84 1HG PRO 84 10.611 7.293 -1.747
655 1HD PRO 84 2HD PRO 84 8.711 7.169 -4.069
656 2HD PRO 84 1HD PRO 84 10.375 7.799 -4.012
657 H GLN 85 H GLN 85 9.052 2.631 -1.687
658 HA GLN 85 HA GLN 85 7.767 1.372 -3.866
659 1HB GLN 85 2HB GLN 85 8.107 0.848 -0.980
660 2HB GLN 85 1HB GLN 85 6.687 0.117 -1.715
661 1HG GLN 85 2HG GLN 85 8.068 -1.017 -3.340
662 2HG GLN 85 1HG GLN 85 9.509 -0.221 -2.705
663 1HE2 GLN 85 1HE2 GLN 85 10.493 -1.027 -0.924
664 2HE2 GLN 85 2HE2 GLN 85 9.988 -2.462 -0.106
665 H ARG 86 H ARG 86 5.609 1.133 -4.380
666 HA ARG 86 HA ARG 86 3.621 2.585 -2.811
667 1HB ARG 86 2HB ARG 86 4.520 3.309 -5.556
668 2HB ARG 86 1HB ARG 86 2.798 3.410 -5.213
669 1HG ARG 86 2HG ARG 86 3.071 5.092 -3.655
670 2HG ARG 86 1HG ARG 86 4.766 4.694 -3.372
671 1HD ARG 86 2HD ARG 86 4.744 6.712 -4.613
672 2HD ARG 86 1HD ARG 86 5.217 5.438 -5.734
673 HE ARG 86 HE ARG 86 2.448 5.741 -5.897
674 1HH1 ARG 86 1HH1 ARG 86 5.337 7.563 -6.612
675 2HH1 ARG 86 2HH1 ARG 86 4.604 8.456 -7.902
676 1HH2 ARG 86 1HH2 ARG 86 1.483 6.914 -7.593
677 2HH2 ARG 86 2HH2 ARG 86 2.417 8.087 -8.458
678 H HIS 87 H HIS 87 1.955 1.262 -2.522
679 HA HIS 87 HA HIS 87 1.432 -0.819 -4.535
680 1HB HIS 87 2HB HIS 87 0.492 -0.762 -1.664
681 2HB HIS 87 1HB HIS 87 0.388 -2.112 -2.786
682 HD1 HIS 87 HD1 HIS 87 2.521 -3.499 -3.173
683 HD2 HIS 87 HD2 HIS 87 3.023 -0.348 -0.513
684 HE1 HIS 87 HE1 HIS 87 4.739 -3.907 -2.061
685 HE2 HIS 87 HE2 HIS 87 4.986 -2.028 -0.399
686 H MET 88 H MET 88 -0.837 -1.378 -4.941
687 HA MET 88 HA MET 88 -2.671 0.875 -4.475
688 1HB MET 88 2HB MET 88 -1.800 1.028 -6.758
689 2HB MET 88 1HB MET 88 -2.316 -0.623 -7.077
690 1HG MET 88 2HG MET 88 -4.656 0.088 -6.662
691 2HG MET 88 1HG MET 88 -4.080 1.748 -6.511
692 1HE MET 88 1HE MET 88 -5.749 2.174 -9.866
693 2HE MET 88 2HE MET 88 -5.888 2.286 -8.112
694 3HE MET 88 3HE MET 88 -6.369 0.806 -8.943
695 H PHE 89 H PHE 89 -4.641 0.344 -3.795
696 HA PHE 89 HA PHE 89 -5.626 -2.385 -4.197
697 1HB PHE 89 2HB PHE 89 -5.392 -0.967 -1.541
698 2HB PHE 89 1HB PHE 89 -6.439 -2.359 -1.794
699 HD1 PHE 89 HD1 PHE 89 -5.514 -4.569 -2.117
700 HD2 PHE 89 HD2 PHE 89 -2.986 -1.200 -1.509
701 HE1 PHE 89 HE1 PHE 89 -3.623 -6.075 -1.662
702 HE2 PHE 89 HE2 PHE 89 -1.090 -2.700 -1.053
703 HZ PHE 89 HZ PHE 89 -1.408 -5.141 -1.130
704 H SER 90 H SER 90 -7.876 -2.568 -4.278
705 HA SER 90 HA SER 90 -9.328 -0.004 -4.289
706 1HB SER 90 2HB SER 90 -10.610 -2.039 -5.901
707 2HB SER 90 1HB SER 90 -10.080 -0.421 -6.361
708 HG SER 90 HG SER 90 -8.076 -1.223 -6.850
709 H PHE 91 H PHE 91 -11.157 0.144 -3.133
710 HA PHE 91 HA PHE 91 -12.270 -2.327 -1.980
711 1HB PHE 91 2HB PHE 91 -12.111 0.303 -0.504
712 2HB PHE 91 1HB PHE 91 -12.566 -1.268 0.144
713 HD1 PHE 91 HD1 PHE 91 -9.679 0.328 -1.605
714 HD2 PHE 91 HD2 PHE 91 -11.002 -2.378 1.401
715 HE1 PHE 91 HE1 PHE 91 -7.347 -0.062 -0.934
716 HE2 PHE 91 HE2 PHE 91 -8.667 -2.770 2.079
717 HZ PHE 91 HZ PHE 91 -6.838 -1.611 0.910
718 H ASN 92 H ASN 92 -14.536 -2.163 -1.340
719 HA ASN 92 HA ASN 92 -15.978 -0.154 -2.944
720 1HB ASN 92 2HB ASN 92 -16.979 -2.900 -2.196
721 2HB ASN 92 1HB ASN 92 -17.737 -1.750 -3.292
722 1HD2 ASN 92 1HD2 ASN 92 -16.514 -4.561 -3.489
723 2HD2 ASN 92 2HD2 ASN 92 -15.539 -4.468 -4.912
724 H ASN 93 H ASN 93 -15.071 -0.046 -0.111
725 HA ASN 93 HA ASN 93 -17.553 0.915 0.997
726 1HB ASN 93 2HB ASN 93 -17.459 -1.555 1.574
727 2HB ASN 93 1HB ASN 93 -16.042 -1.187 2.552
728 1HD2 ASN 93 1HD2 ASN 93 -17.889 -2.280 3.951
729 2HD2 ASN 93 2HD2 ASN 93 -18.805 -1.153 4.887
730 H ARG 94 H ARG 94 -16.882 2.902 1.494
731 HA ARG 94 HA ARG 94 -14.355 3.807 1.979
732 1HB ARG 94 2HB ARG 94 -16.526 5.138 1.723
733 2HB ARG 94 1HB ARG 94 -16.724 4.926 3.457
734 1HG ARG 94 2HG ARG 94 -15.634 6.882 3.559
735 2HG ARG 94 1HG ARG 94 -14.201 5.867 3.375
736 1HD ARG 94 2HD ARG 94 -14.246 7.824 1.845
737 2HD ARG 94 1HD ARG 94 -14.140 6.273 1.014
738 HE ARG 94 HE ARG 94 -16.829 7.247 1.311
739 1HH1 ARG 94 1HH1 ARG 94 -13.954 7.337 -0.667
740 2HH1 ARG 94 2HH1 ARG 94 -14.808 7.781 -2.108
741 1HH2 ARG 94 1HH2 ARG 94 -17.953 7.830 -0.582
742 2HH2 ARG 94 2HH2 ARG 94 -17.077 8.061 -2.059
743 H THR 95 H THR 95 -16.458 2.154 4.189
744 HA THR 95 HA THR 95 -15.049 2.772 6.557
745 HB THR 95 HB THR 95 -16.588 0.306 6.471
746 HG1 THR 95 HG1 THR 95 -18.562 1.381 6.118
747 1HG2 THR 95 1HG2 THR 95 -17.755 1.251 8.327
748 2HG2 THR 95 2HG2 THR 95 -17.046 2.831 8.001
749 3HG2 THR 95 3HG2 THR 95 -16.022 1.503 8.548
750 H VAL 96 H VAL 96 -15.246 -0.195 4.582
751 HA VAL 96 HA VAL 96 -13.424 -1.725 6.000
752 HB VAL 96 HB VAL 96 -13.843 -1.751 3.006
753 1HG1 VAL 96 1HG1 VAL 96 -12.768 -3.888 4.846
754 2HG1 VAL 96 2HG1 VAL 96 -11.826 -2.953 3.686
755 3HG1 VAL 96 3HG1 VAL 96 -13.070 -4.068 3.119
756 1HG2 VAL 96 1HG2 VAL 96 -15.134 -3.734 4.787
757 2HG2 VAL 96 2HG2 VAL 96 -15.710 -3.013 3.285
758 3HG2 VAL 96 3HG2 VAL 96 -15.796 -2.100 4.790
759 H MET 97 H MET 97 -12.791 0.427 3.232
760 HA MET 97 HA MET 97 -10.001 0.010 3.196
761 1HB MET 97 2HB MET 97 -9.915 2.108 1.878
762 2HB MET 97 1HB MET 97 -11.106 0.965 1.274
763 1HG MET 97 2HG MET 97 -12.876 2.234 2.389
764 2HG MET 97 1HG MET 97 -11.673 3.390 2.961
765 1HE MET 97 1HE MET 97 -10.982 5.346 1.846
766 2HE MET 97 2HE MET 97 -10.960 5.658 0.111
767 3HE MET 97 3HE MET 97 -9.867 4.460 0.804
768 H ASP 98 H ASP 98 -12.076 2.265 4.913
769 HA ASP 98 HA ASP 98 -10.014 3.899 5.950
770 1HB ASP 98 2HB ASP 98 -12.370 4.616 5.895
771 2HB ASP 98 1HB ASP 98 -12.773 3.370 7.072
772 H ASN 99 H ASN 99 -11.404 0.872 6.935
773 HA ASN 99 HA ASN 99 -10.362 0.832 9.577
774 1HB ASN 99 2HB ASN 99 -11.123 -1.474 7.766
775 2HB ASN 99 1HB ASN 99 -10.815 -1.599 9.496
776 1HD2 ASN 99 1HD2 ASN 99 -13.222 -2.185 7.926
777 2HD2 ASN 99 2HD2 ASN 99 -14.481 -1.232 8.626
778 H ILE 100 H ILE 100 -9.185 -0.293 6.453
779 HA ILE 100 HA ILE 100 -6.848 -1.579 7.402
780 HB ILE 100 HB ILE 100 -7.293 -0.319 4.690
781 1HG1 ILE 100 2HG1 ILE 100 -9.073 -1.944 5.357
782 2HG1 ILE 100 1HG1 ILE 100 -8.145 -2.448 3.950
783 1HG2 ILE 100 1HG2 ILE 100 -5.712 -2.246 4.043
784 2HG2 ILE 100 2HG2 ILE 100 -5.289 -2.270 5.757
785 3HG2 ILE 100 3HG2 ILE 100 -5.026 -0.809 4.804
786 1HD1 ILE 100 1HD1 ILE 100 -8.451 -4.357 5.303
787 2HD1 ILE 100 2HD1 ILE 100 -7.947 -3.489 6.758
788 3HD1 ILE 100 3HD1 ILE 100 -6.769 -3.861 5.498
789 H LYS 101 H LYS 101 -7.411 1.640 6.014
790 HA LYS 101 HA LYS 101 -4.753 2.542 6.322
791 1HB LYS 101 2HB LYS 101 -5.507 4.604 5.558
792 2HB LYS 101 1HB LYS 101 -6.685 3.500 4.868
793 1HG LYS 101 2HG LYS 101 -8.210 4.021 6.748
794 2HG LYS 101 1HG LYS 101 -7.043 5.220 7.310
795 1HD LYS 101 2HD LYS 101 -7.235 6.131 4.870
796 2HD LYS 101 1HD LYS 101 -8.756 5.236 4.859
797 1HE LYS 101 2HE LYS 101 -8.797 6.597 7.271
798 2HE LYS 101 1HE LYS 101 -8.083 7.751 6.146
799 1HZ LYS 101 1HZ LYS 101 -10.782 6.688 6.246
800 2HZ LYS 101 2HZ LYS 101 -10.119 6.839 4.697
801 3HZ LYS 101 3HZ LYS 101 -10.227 8.193 5.706
802 H MET 102 H MET 102 -7.453 2.338 8.454
803 HA MET 102 HA MET 102 -6.432 4.179 10.410
804 1HB MET 102 2HB MET 102 -8.748 2.286 10.273
805 2HB MET 102 1HB MET 102 -8.254 2.929 11.833
806 1HG MET 102 2HG MET 102 -8.669 5.161 11.137
807 2HG MET 102 1HG MET 102 -8.899 4.659 9.463
808 1HE MET 102 1HE MET 102 -10.674 2.643 12.620
809 2HE MET 102 2HE MET 102 -11.737 4.003 12.985
810 3HE MET 102 3HE MET 102 -9.986 4.213 13.034
811 H THR 103 H THR 103 -6.512 0.677 9.961
812 HA THR 103 HA THR 103 -5.207 0.161 12.475
813 HB THR 103 HB THR 103 -6.560 -1.358 10.453
814 HG1 THR 103 HG1 THR 103 -7.257 -1.765 12.413
815 1HG2 THR 103 1HG2 THR 103 -5.230 -3.406 10.587
816 2HG2 THR 103 2HG2 THR 103 -3.936 -2.482 11.353
817 3HG2 THR 103 3HG2 THR 103 -4.420 -2.113 9.698
818 H LEU 104 H LEU 104 -4.272 0.408 9.096
819 HA LEU 104 HA LEU 104 -1.656 -0.581 9.337
820 1HB LEU 104 2HB LEU 104 -3.098 1.151 7.398
821 2HB LEU 104 1HB LEU 104 -1.347 1.144 7.329
822 HG LEU 104 HG LEU 104 -3.000 -1.372 7.191
823 1HD1 LEU 104 1HD1 LEU 104 -3.016 -1.285 4.876
824 2HD1 LEU 104 2HD1 LEU 104 -1.755 -0.051 4.814
825 3HD1 LEU 104 3HD1 LEU 104 -3.383 0.379 5.334
826 1HD2 LEU 104 1HD2 LEU 104 -0.685 -1.684 7.868
827 2HD2 LEU 104 2HD2 LEU 104 -0.137 -0.759 6.470
828 3HD2 LEU 104 3HD2 LEU 104 -0.945 -2.308 6.239
829 H GLN 105 H GLN 105 -2.999 2.650 9.799
830 HA GLN 105 HA GLN 105 -0.576 4.035 10.071
831 1HB GLN 105 2HB GLN 105 -3.364 4.597 10.387
832 2HB GLN 105 1HB GLN 105 -2.499 5.240 11.776
833 1HG GLN 105 2HG GLN 105 -1.032 6.496 10.308
834 2HG GLN 105 1HG GLN 105 -1.838 5.816 8.896
835 1HE2 GLN 105 1HE2 GLN 105 -3.582 6.810 8.118
836 2HE2 GLN 105 2HE2 GLN 105 -4.392 8.138 8.870
837 H GLN 106 H GLN 106 -2.357 2.034 12.262
838 HA GLN 106 HA GLN 106 -1.104 2.896 14.662
839 1HB GLN 106 2HB GLN 106 -2.451 0.271 13.997
840 2HB GLN 106 1HB GLN 106 -1.990 0.786 15.614
841 1HG GLN 106 2HG GLN 106 -3.991 2.145 13.824
842 2HG GLN 106 1HG GLN 106 -4.356 1.136 15.224
843 1HE2 GLN 106 1HE2 GLN 106 -4.508 4.150 14.338
844 2HE2 GLN 106 2HE2 GLN 106 -4.055 4.974 15.785
845 H ILE 107 H ILE 107 -0.317 0.511 12.217
846 HA ILE 107 HA ILE 107 1.747 -0.768 13.714
847 HB ILE 107 HB ILE 107 1.277 -0.740 10.729
848 1HG1 ILE 107 2HG1 ILE 107 0.675 -3.198 12.170
849 2HG1 ILE 107 1HG1 ILE 107 -0.289 -1.845 12.752
850 1HG2 ILE 107 1HG2 ILE 107 3.049 -2.458 12.454
851 2HG2 ILE 107 2HG2 ILE 107 3.532 -1.395 11.132
852 3HG2 ILE 107 3HG2 ILE 107 2.611 -2.859 10.793
853 1HD1 ILE 107 1HD1 ILE 107 -1.538 -1.799 10.906
854 2HD1 ILE 107 2HD1 ILE 107 -0.907 -3.421 10.627
855 3HD1 ILE 107 3HD1 ILE 107 -0.151 -2.035 9.843
856 H ILE 108 H ILE 108 1.736 1.748 11.206
857 HA ILE 108 HA ILE 108 4.515 2.030 10.949
858 HB ILE 108 HB ILE 108 2.721 4.428 10.846
859 1HG1 ILE 108 2HG1 ILE 108 2.988 2.688 8.431
860 2HG1 ILE 108 1HG1 ILE 108 1.775 2.291 9.642
861 1HG2 ILE 108 1HG2 ILE 108 4.581 4.035 8.666
862 2HG2 ILE 108 2HG2 ILE 108 5.384 3.976 10.236
863 3HG2 ILE 108 3HG2 ILE 108 4.422 5.384 9.791
864 1HD1 ILE 108 1HD1 ILE 108 1.127 4.795 9.403
865 2HD1 ILE 108 2HD1 ILE 108 0.571 3.609 8.220
866 3HD1 ILE 108 3HD1 ILE 108 1.947 4.648 7.846
867 H SER 109 H SER 109 2.269 4.029 12.735
868 HA SER 109 HA SER 109 4.051 5.556 14.180
869 1HB SER 109 2HB SER 109 1.582 5.907 14.114
870 2HB SER 109 1HB SER 109 1.397 4.543 15.218
871 HG SER 109 HG SER 109 2.417 7.102 15.691
872 H ARG 110 H ARG 110 3.114 2.254 14.683
873 HA ARG 110 HA ARG 110 4.076 2.018 17.348
874 1HB ARG 110 2HB ARG 110 3.141 0.168 15.237
875 2HB ARG 110 1HB ARG 110 4.212 -0.520 16.449
876 1HG ARG 110 2HG ARG 110 2.700 0.192 18.214
877 2HG ARG 110 1HG ARG 110 1.635 0.933 17.019
878 1HD ARG 110 2HD ARG 110 1.313 -1.284 15.981
879 2HD ARG 110 1HD ARG 110 2.317 -1.997 17.244
880 HE ARG 110 HE ARG 110 0.081 -0.497 18.251
881 1HH1 ARG 110 1HH1 ARG 110 1.145 -3.608 17.080
882 2HH1 ARG 110 2HH1 ARG 110 -0.102 -4.484 17.904
883 1HH2 ARG 110 1HH2 ARG 110 -1.558 -1.648 19.336
884 2HH2 ARG 110 2HH2 ARG 110 -1.635 -3.372 19.185
885 H TYR 111 H TYR 111 5.496 1.677 14.195
886 HA TYR 111 HA TYR 111 8.014 0.716 15.310
887 1HB TYR 111 2HB TYR 111 7.257 1.274 12.433
888 2HB TYR 111 1HB TYR 111 8.737 0.491 12.979
889 HD1 TYR 111 HD1 TYR 111 7.519 -1.266 15.121
890 HD2 TYR 111 HD2 TYR 111 6.323 -0.449 11.120
891 HE1 TYR 111 HE1 TYR 111 6.402 -3.453 15.016
892 HE2 TYR 111 HE2 TYR 111 5.201 -2.635 11.004
893 HH TYR 111 HH TYR 111 4.670 -4.579 13.776
894 H LYS 112 H LYS 112 6.629 3.570 13.807
895 HA LYS 112 HA LYS 112 9.017 5.007 13.413
896 1HB LYS 112 2HB LYS 112 6.176 5.515 13.246
897 2HB LYS 112 1HB LYS 112 7.008 6.886 13.967
898 1HG LYS 112 2HG LYS 112 7.655 7.550 11.962
899 2HG LYS 112 1HG LYS 112 8.531 6.036 11.738
900 1HD LYS 112 2HD LYS 112 6.950 5.174 10.394
901 2HD LYS 112 1HD LYS 112 5.629 5.843 11.355
902 1HE LYS 112 2HE LYS 112 5.527 7.749 10.134
903 2HE LYS 112 1HE LYS 112 7.265 7.783 9.843
904 1HZ LYS 112 1HZ LYS 112 6.588 7.231 7.777
905 2HZ LYS 112 2HZ LYS 112 5.150 6.511 8.299
906 3HZ LYS 112 3HZ LYS 112 6.609 5.662 8.411
907 H ASP 113 H ASP 113 6.808 4.780 16.157
908 HA ASP 113 HA ASP 113 7.930 6.791 17.750
909 1HB ASP 113 2HB ASP 113 6.448 4.261 18.473
910 2HB ASP 113 1HB ASP 113 6.927 5.464 19.667
911 H ALA 114 H ALA 114 8.799 3.411 17.316
912 HA ALA 114 HA ALA 114 10.614 3.188 19.452
913 1HB ALA 114 1HB ALA 114 9.608 1.452 17.654
914 2HB ALA 114 2HB ALA 114 11.009 1.111 18.670
915 3HB ALA 114 3HB ALA 114 11.235 1.663 17.010
916 H ASP 115 H ASP 115 10.946 4.474 16.210
917 HA ASP 115 HA ASP 115 12.684 5.437 15.090
918 1HB ASP 115 2HB ASP 115 12.151 7.049 16.969
919 2HB ASP 115 1HB ASP 115 13.537 6.381 17.825
920 H LEU 45 1H LEU 45 -5.081 5.853 -18.248
921 HA LEU 45 HA LEU 45 -4.711 3.112 -19.204
922 1HB LEU 45 2HB LEU 45 -5.667 5.043 -20.574
923 2HB LEU 45 1HB LEU 45 -4.074 5.767 -20.476
924 HG LEU 45 HG LEU 45 -4.351 2.982 -21.529
925 1HD1 LEU 45 1HD1 LEU 45 -4.843 3.713 -23.711
926 2HD1 LEU 45 2HD1 LEU 45 -4.627 5.409 -23.279
927 3HD1 LEU 45 3HD1 LEU 45 -6.020 4.514 -22.669
928 1HD2 LEU 45 1HD2 LEU 45 -2.127 3.496 -21.379
929 2HD2 LEU 45 2HD2 LEU 45 -2.389 5.217 -21.662
930 3HD2 LEU 45 3HD2 LEU 45 -2.472 4.080 -23.007
931 H SER 46 H SER 46 -3.112 5.897 -17.827
932 HA SER 46 HA SER 46 -0.556 4.439 -17.968
933 1HB SER 46 2HB SER 46 -0.185 6.251 -19.406
934 2HB SER 46 1HB SER 46 -1.137 7.355 -18.416
935 HG SER 46 HG SER 46 0.627 7.854 -17.414
936 HA PRO 47 HA PRO 47 -0.170 4.471 -13.585
937 1HB PRO 47 2HB PRO 47 2.442 5.846 -14.039
938 2HB PRO 47 1HB PRO 47 2.078 4.425 -13.054
939 1HG PRO 47 2HG PRO 47 3.249 4.155 -15.426
940 2HG PRO 47 1HG PRO 47 2.009 3.006 -14.891
941 1HD PRO 47 2HD PRO 47 1.824 5.199 -16.898
942 2HD PRO 47 1HD PRO 47 0.999 3.627 -16.860
943 H ASP 48 H ASP 48 0.884 7.437 -15.229
944 HA ASP 48 HA ASP 48 0.651 9.164 -13.025
945 1HB ASP 48 2HB ASP 48 1.827 9.692 -15.174
946 2HB ASP 48 1HB ASP 48 0.250 9.881 -15.937
947 H ASP 49 H ASP 49 -1.704 7.817 -15.183
948 HA ASP 49 HA ASP 49 -3.789 9.671 -14.780
949 1HB ASP 49 2HB ASP 49 -3.577 7.752 -16.519
950 2HB ASP 49 1HB ASP 49 -4.278 6.744 -15.256
951 H ILE 50 H ILE 50 -2.963 6.640 -13.143
952 HA ILE 50 HA ILE 50 -5.147 6.654 -11.356
953 HB ILE 50 HB ILE 50 -2.463 5.368 -10.882
954 1HG1 ILE 50 2HG1 ILE 50 -3.248 4.685 -13.070
955 2HG1 ILE 50 1HG1 ILE 50 -3.468 3.352 -11.942
956 1HG2 ILE 50 1HG2 ILE 50 -4.605 5.559 -9.204
957 2HG2 ILE 50 2HG2 ILE 50 -3.389 4.284 -9.153
958 3HG2 ILE 50 3HG2 ILE 50 -4.907 4.018 -10.008
959 1HD1 ILE 50 1HD1 ILE 50 -5.874 4.458 -11.727
960 2HD1 ILE 50 2HD1 ILE 50 -5.476 3.275 -12.974
961 3HD1 ILE 50 3HD1 ILE 50 -5.473 4.997 -13.356
962 H GLU 51 H GLU 51 -2.087 8.255 -11.348
963 HA GLU 51 HA GLU 51 -1.885 8.811 -8.586
964 1HB GLU 51 2HB GLU 51 -0.786 10.304 -10.973
965 2HB GLU 51 1HB GLU 51 -0.337 10.629 -9.306
966 1HG GLU 51 2HG GLU 51 0.525 8.341 -9.107
967 2HG GLU 51 1HG GLU 51 0.114 8.056 -10.798
968 H GLN 52 H GLN 52 -3.571 10.380 -11.226
969 HA GLN 52 HA GLN 52 -4.171 12.793 -9.865
970 1HB GLN 52 2HB GLN 52 -4.871 11.529 -12.400
971 2HB GLN 52 1HB GLN 52 -6.206 12.445 -11.711
972 1HG GLN 52 2HG GLN 52 -5.257 14.397 -12.191
973 2HG GLN 52 1HG GLN 52 -3.684 13.878 -11.589
974 1HE2 GLN 52 1HE2 GLN 52 -5.605 12.426 -14.160
975 2HE2 GLN 52 2HE2 GLN 52 -4.466 12.719 -15.427
976 H TRP 53 H TRP 53 -5.629 9.632 -9.895
977 HA TRP 53 HA TRP 53 -8.200 10.192 -9.022
978 1HB TRP 53 2HB TRP 53 -6.374 7.860 -8.450
979 2HB TRP 53 1HB TRP 53 -8.040 7.913 -7.880
980 HD1 TRP 53 HD1 TRP 53 -6.789 8.995 -11.379
981 HE1 TRP 53 HE1 TRP 53 -8.009 7.566 -13.138
982 HE3 TRP 53 HE3 TRP 53 -9.355 5.870 -8.251
983 HZ2 TRP 53 HZ2 TRP 53 -9.820 5.402 -13.192
984 HZ3 TRP 53 HZ3 TRP 53 -10.809 4.148 -9.236
985 HH2 TRP 53 HH2 TRP 53 -11.038 3.921 -11.657
986 H PHE 54 H PHE 54 -5.184 10.293 -7.289
987 HA PHE 54 HA PHE 54 -6.569 10.674 -4.738
988 1HB PHE 54 2HB PHE 54 -3.635 10.334 -5.389
989 2HB PHE 54 1HB PHE 54 -4.270 10.592 -3.767
990 HD1 PHE 54 HD1 PHE 54 -3.767 8.214 -6.450
991 HD2 PHE 54 HD2 PHE 54 -5.658 8.864 -2.693
992 HE1 PHE 54 HE1 PHE 54 -4.101 5.789 -6.204
993 HE2 PHE 54 HE2 PHE 54 -5.995 6.440 -2.440
994 HZ PHE 54 HZ PHE 54 -5.215 4.900 -4.196
995 H THR 55 H THR 55 -4.865 12.423 -7.198
996 HA THR 55 HA THR 55 -4.352 14.727 -5.557
997 HB THR 55 HB THR 55 -3.690 13.828 -8.232
998 HG1 THR 55 HG1 THR 55 -1.849 14.261 -7.380
999 1HG2 THR 55 1HG2 THR 55 -4.863 15.618 -9.159
1000 2HG2 THR 55 2HG2 THR 55 -3.203 16.194 -9.010
1001 3HG2 THR 55 3HG2 THR 55 -4.419 16.699 -7.839
1002 H GLU 56 H GLU 56 -6.852 13.624 -7.709
1003 HA GLU 56 HA GLU 56 -8.781 14.569 -8.480
1004 1HB GLU 56 2HB GLU 56 -8.644 14.646 -5.663
1005 2HB GLU 56 1HB GLU 56 -9.413 16.145 -6.166
1006 1HG GLU 56 2HG GLU 56 -10.400 13.726 -7.504
1007 2HG GLU 56 1HG GLU 56 -10.708 13.807 -5.770
1008 H ASP 57 H ASP 57 -10.091 16.941 -7.955
1009 HA ASP 57 HA ASP 57 -8.187 18.978 -8.909
1010 1HB ASP 57 2HB ASP 57 -11.054 18.596 -9.799
1011 2HB ASP 57 1HB ASP 57 -9.978 19.884 -10.333
1012 HA PRO 58 HA PRO 58 -10.283 20.544 -5.079
1013 1HB PRO 58 2HB PRO 58 -8.062 21.697 -4.031
1014 2HB PRO 58 1HB PRO 58 -8.465 19.994 -3.787
1015 1HG PRO 58 2HG PRO 58 -6.549 21.228 -5.729
1016 2HG PRO 58 1HG PRO 58 -6.345 19.783 -4.722
1017 1HD PRO 58 2HD PRO 58 -6.989 19.649 -7.349
1018 2HD PRO 58 1HD PRO 58 -7.554 18.452 -6.165
Start of MODEL 5
1 HT1 PRO 1 HT2 PRO 1 -12.500 -5.103 7.847
2 HT2 PRO 1 HT1 PRO 1 -11.785 -6.184 8.955
3 HA PRO 1 HA PRO 1 -12.479 -3.538 9.290
4 1HB PRO 1 2HB PRO 1 -13.750 -4.996 11.504
5 2HB PRO 1 1HB PRO 1 -14.299 -3.558 10.637
6 1HG PRO 1 2HG PRO 1 -15.431 -5.998 10.281
7 2HG PRO 1 1HG PRO 1 -15.350 -4.779 8.999
8 1HD PRO 1 2HD PRO 1 -13.714 -7.252 9.375
9 2HD PRO 1 1HD PRO 1 -14.271 -6.485 7.876
10 H SER 2 H SER 2 -11.468 -2.725 11.236
11 HA SER 2 HA SER 2 -9.777 -2.602 12.750
12 1HB SER 2 2HB SER 2 -11.013 -4.109 14.127
13 2HB SER 2 1HB SER 2 -10.571 -5.493 13.127
14 HG SER 2 HG SER 2 -8.795 -3.935 14.703
15 H HIS 3 H HIS 3 -9.090 -5.959 11.873
16 HA HIS 3 HA HIS 3 -6.564 -5.028 10.667
17 1HB HIS 3 2HB HIS 3 -7.156 -7.450 12.361
18 2HB HIS 3 1HB HIS 3 -5.693 -7.307 11.391
19 HD1 HIS 3 HD1 HIS 3 -7.495 -5.350 14.100
20 HD2 HIS 3 HD2 HIS 3 -3.664 -6.054 12.663
21 HE1 HIS 3 HE1 HIS 3 -5.964 -4.125 15.667
22 HE2 HIS 3 HE2 HIS 3 -3.636 -4.662 14.849
23 H SER 4 H SER 4 -8.945 -5.307 9.193
24 HA SER 4 HA SER 4 -8.006 -6.956 7.086
25 1HB SER 4 2HB SER 4 -10.685 -7.862 8.085
26 2HB SER 4 1HB SER 4 -9.551 -8.701 7.024
27 HG SER 4 HG SER 4 -8.174 -8.934 8.869
28 H GLY 5 H GLY 5 -9.853 -7.138 5.348
29 1HA GLY 5 2HA GLY 5 -12.023 -5.559 5.113
30 2HA GLY 5 1HA GLY 5 -10.707 -4.414 4.890
31 H ALA 6 H ALA 6 -12.875 -6.060 3.268
32 HA ALA 6 HA ALA 6 -11.608 -7.489 1.286
33 1HB ALA 6 1HB ALA 6 -14.125 -5.870 1.222
34 2HB ALA 6 2HB ALA 6 -13.940 -7.614 1.414
35 3HB ALA 6 3HB ALA 6 -13.587 -6.854 -0.140
36 H ALA 7 H ALA 7 -9.964 -6.897 0.083
37 HA ALA 7 HA ALA 7 -9.986 -4.198 -1.120
38 1HB ALA 7 1HB ALA 7 -7.672 -3.955 -0.774
39 2HB ALA 7 2HB ALA 7 -7.469 -5.663 -0.382
40 3HB ALA 7 3HB ALA 7 -8.292 -4.590 0.752
41 H ILE 8 H ILE 8 -9.102 -3.990 -3.223
42 HA ILE 8 HA ILE 8 -9.064 -6.514 -4.722
43 HB ILE 8 HB ILE 8 -9.752 -3.717 -5.464
44 1HG1 ILE 8 2HG1 ILE 8 -11.102 -5.697 -6.980
45 2HG1 ILE 8 1HG1 ILE 8 -11.007 -6.280 -5.323
46 1HG2 ILE 8 1HG2 ILE 8 -8.600 -5.680 -7.424
47 2HG2 ILE 8 2HG2 ILE 8 -7.991 -4.074 -7.034
48 3HG2 ILE 8 3HG2 ILE 8 -9.531 -4.254 -7.874
49 1HD1 ILE 8 1HD1 ILE 8 -12.187 -3.692 -6.264
50 2HD1 ILE 8 2HD1 ILE 8 -11.973 -4.142 -4.571
51 3HD1 ILE 8 3HD1 ILE 8 -13.039 -5.090 -5.607
52 H PHE 9 H PHE 9 -7.241 -7.307 -5.466
53 HA PHE 9 HA PHE 9 -4.885 -5.520 -5.514
54 1HB PHE 9 2HB PHE 9 -4.942 -7.532 -3.901
55 2HB PHE 9 1HB PHE 9 -4.700 -8.513 -5.343
56 HD1 PHE 9 HD1 PHE 9 -2.535 -9.277 -5.400
57 HD2 PHE 9 HD2 PHE 9 -3.275 -5.251 -4.237
58 HE1 PHE 9 HE1 PHE 9 -0.112 -8.872 -5.278
59 HE2 PHE 9 HE2 PHE 9 -0.852 -4.837 -4.114
60 HZ PHE 9 HZ PHE 9 0.733 -6.649 -4.635
61 H GLU 10 H GLU 10 -3.813 -5.223 -7.360
62 HA GLU 10 HA GLU 10 -3.341 -5.275 -9.588
63 1HB GLU 10 2HB GLU 10 -3.814 -8.242 -9.292
64 2HB GLU 10 1HB GLU 10 -2.885 -7.451 -10.560
65 1HG GLU 10 2HG GLU 10 -1.291 -6.660 -8.857
66 2HG GLU 10 1HG GLU 10 -2.202 -7.542 -7.632
67 H LYS 11 H LYS 11 -6.083 -4.800 -8.841
68 HA LYS 11 HA LYS 11 -8.023 -4.389 -9.973
69 1HB LYS 11 2HB LYS 11 -7.002 -6.061 -12.269
70 2HB LYS 11 1HB LYS 11 -8.254 -4.829 -12.304
71 1HG LYS 11 2HG LYS 11 -6.525 -3.131 -11.769
72 2HG LYS 11 1HG LYS 11 -5.302 -4.396 -11.910
73 1HD LYS 11 2HD LYS 11 -6.078 -4.809 -14.235
74 2HD LYS 11 1HD LYS 11 -7.171 -3.433 -14.073
75 1HE LYS 11 2HE LYS 11 -5.435 -2.308 -14.979
76 2HE LYS 11 1HE LYS 11 -4.872 -2.276 -13.309
77 1HZ LYS 11 1HZ LYS 11 -3.056 -3.017 -14.546
78 2HZ LYS 11 2HZ LYS 11 -3.991 -4.049 -15.505
79 3HZ LYS 11 3HZ LYS 11 -3.698 -4.437 -13.885
80 H VAL 12 H VAL 12 -6.893 -7.222 -8.850
81 HA VAL 12 HA VAL 12 -9.264 -8.774 -9.551
82 HB VAL 12 HB VAL 12 -6.642 -9.567 -8.292
83 1HG1 VAL 12 1HG1 VAL 12 -8.281 -10.785 -7.039
84 2HG1 VAL 12 2HG1 VAL 12 -7.599 -11.889 -8.235
85 3HG1 VAL 12 3HG1 VAL 12 -9.189 -11.171 -8.501
86 1HG2 VAL 12 1HG2 VAL 12 -6.698 -11.155 -10.236
87 2HG2 VAL 12 2HG2 VAL 12 -6.550 -9.444 -10.651
88 3HG2 VAL 12 3HG2 VAL 12 -8.111 -10.265 -10.806
89 H SER 13 H SER 13 -10.478 -9.770 -7.890
90 HA SER 13 HA SER 13 -10.607 -8.017 -5.559
91 1HB SER 13 2HB SER 13 -12.837 -8.944 -5.194
92 2HB SER 13 1HB SER 13 -12.648 -8.279 -6.814
93 HG SER 13 HG SER 13 -12.553 -10.317 -7.644
94 H GLY 14 H GLY 14 -10.777 -8.700 -3.481
95 1HA GLY 14 2HA GLY 14 -10.748 -11.301 -2.493
96 2HA GLY 14 1HA GLY 14 -9.071 -10.797 -2.692
97 H ILE 15 H ILE 15 -9.549 -11.244 -0.174
98 HA ILE 15 HA ILE 15 -10.361 -8.672 0.971
99 HB ILE 15 HB ILE 15 -10.241 -11.386 2.286
100 1HG1 ILE 15 2HG1 ILE 15 -12.468 -11.502 1.974
101 2HG1 ILE 15 1HG1 ILE 15 -12.698 -9.878 2.602
102 1HG2 ILE 15 1HG2 ILE 15 -9.434 -9.772 3.891
103 2HG2 ILE 15 2HG2 ILE 15 -11.089 -10.217 4.315
104 3HG2 ILE 15 3HG2 ILE 15 -10.776 -8.679 3.510
105 1HD1 ILE 15 1HD1 ILE 15 -12.150 -10.683 -0.236
106 2HD1 ILE 15 2HD1 ILE 15 -12.120 -9.013 0.336
107 3HD1 ILE 15 3HD1 ILE 15 -13.609 -9.950 0.427
108 H ILE 16 H ILE 16 -9.086 -7.593 2.386
109 HA ILE 16 HA ILE 16 -6.273 -8.435 2.385
110 HB ILE 16 HB ILE 16 -7.575 -5.883 1.936
111 1HG1 ILE 16 2HG1 ILE 16 -4.688 -6.754 1.765
112 2HG1 ILE 16 1HG1 ILE 16 -5.875 -6.856 0.473
113 1HG2 ILE 16 1HG2 ILE 16 -7.138 -5.427 4.268
114 2HG2 ILE 16 2HG2 ILE 16 -6.111 -4.446 3.228
115 3HG2 ILE 16 3HG2 ILE 16 -5.441 -5.856 4.052
116 1HD1 ILE 16 1HD1 ILE 16 -5.548 -4.178 1.600
117 2HD1 ILE 16 2HD1 ILE 16 -5.638 -4.707 -0.081
118 3HD1 ILE 16 3HD1 ILE 16 -4.115 -4.829 0.801
119 H ALA 17 H ALA 17 -5.577 -9.247 4.236
120 HA ALA 17 HA ALA 17 -6.870 -8.350 6.722
121 1HB ALA 17 1HB ALA 17 -7.443 -10.669 6.012
122 2HB ALA 17 2HB ALA 17 -6.702 -10.550 7.614
123 3HB ALA 17 3HB ALA 17 -5.742 -11.096 6.239
124 H ILE 18 H ILE 18 -5.631 -7.622 8.303
125 HA ILE 18 HA ILE 18 -2.729 -7.651 7.900
126 HB ILE 18 HB ILE 18 -4.569 -5.795 9.392
127 1HG1 ILE 18 2HG1 ILE 18 -2.571 -5.353 7.164
128 2HG1 ILE 18 1HG1 ILE 18 -4.319 -5.461 6.970
129 1HG2 ILE 18 1HG2 ILE 18 -2.071 -4.657 9.582
130 2HG2 ILE 18 2HG2 ILE 18 -1.774 -6.355 9.956
131 3HG2 ILE 18 3HG2 ILE 18 -2.963 -5.440 10.886
132 1HD1 ILE 18 1HD1 ILE 18 -4.670 -3.418 8.061
133 2HD1 ILE 18 2HD1 ILE 18 -3.306 -3.150 6.976
134 3HD1 ILE 18 3HD1 ILE 18 -3.028 -3.384 8.702
135 H ASN 19 H ASN 19 -1.340 -8.395 9.448
136 HA ASN 19 HA ASN 19 -2.502 -9.439 11.936
137 1HB ASN 19 2HB ASN 19 -2.138 -11.244 10.189
138 2HB ASN 19 1HB ASN 19 -0.412 -10.928 10.344
139 1HD2 ASN 19 1HD2 ASN 19 -0.376 -13.204 10.961
140 2HD2 ASN 19 2HD2 ASN 19 -0.671 -13.624 12.610
141 H GLU 20 H GLU 20 -1.582 -8.318 13.521
142 HA GLU 20 HA GLU 20 1.133 -7.316 13.223
143 1HB GLU 20 2HB GLU 20 -0.903 -6.888 15.415
144 2HB GLU 20 1HB GLU 20 0.671 -6.108 15.335
145 1HG GLU 20 2HG GLU 20 0.010 -5.065 13.201
146 2HG GLU 20 1HG GLU 20 -1.587 -5.790 13.372
147 H ASP 21 H ASP 21 -0.016 -10.196 14.064
148 HA ASP 21 HA ASP 21 1.399 -10.656 16.525
149 1HB ASP 21 2HB ASP 21 0.096 -12.546 14.556
150 2HB ASP 21 1HB ASP 21 0.805 -13.049 16.088
151 H VAL 22 H VAL 22 2.172 -10.587 13.205
152 HA VAL 22 HA VAL 22 4.548 -12.244 13.564
153 HB VAL 22 HB VAL 22 4.704 -11.556 10.989
154 1HG1 VAL 22 1HG1 VAL 22 3.527 -13.668 10.464
155 2HG1 VAL 22 2HG1 VAL 22 2.962 -13.727 12.134
156 3HG1 VAL 22 3HG1 VAL 22 4.687 -13.827 11.782
157 1HG2 VAL 22 1HG2 VAL 22 1.731 -11.660 11.406
158 2HG2 VAL 22 2HG2 VAL 22 2.611 -11.331 9.913
159 3HG2 VAL 22 3HG2 VAL 22 2.625 -10.150 11.224
160 H SER 23 H SER 23 6.615 -11.457 13.292
161 HA SER 23 HA SER 23 6.844 -8.527 13.144
162 1HB SER 23 2HB SER 23 7.593 -8.980 15.284
163 2HB SER 23 1HB SER 23 8.258 -10.551 14.832
164 HG SER 23 HG SER 23 10.067 -9.622 14.197
165 HA PRO 24 HA PRO 24 7.492 -7.027 12.210
166 1HB PRO 24 2HB PRO 24 7.548 -6.084 9.511
167 2HB PRO 24 1HB PRO 24 8.547 -5.558 10.865
168 1HG PRO 24 2HG PRO 24 9.464 -6.923 8.636
169 2HG PRO 24 1HG PRO 24 10.312 -6.807 10.187
170 1HD PRO 24 2HD PRO 24 8.676 -9.038 9.077
171 2HD PRO 24 1HD PRO 24 10.124 -9.099 10.104
172 H ALA 25 H ALA 25 5.366 -6.403 12.099
173 HA ALA 25 HA ALA 25 3.391 -8.125 11.304
174 1HB ALA 25 1HB ALA 25 2.811 -6.342 12.744
175 2HB ALA 25 2HB ALA 25 1.877 -6.102 11.266
176 3HB ALA 25 3HB ALA 25 3.319 -5.129 11.569
177 H GLU 26 H GLU 26 2.208 -8.523 9.480
178 HA GLU 26 HA GLU 26 2.871 -6.970 7.074
179 1HB GLU 26 2HB GLU 26 2.649 -9.980 7.132
180 2HB GLU 26 1HB GLU 26 3.075 -8.979 5.752
181 1HG GLU 26 2HG GLU 26 5.091 -8.231 7.061
182 2HG GLU 26 1HG GLU 26 4.695 -9.493 8.227
183 H LEU 27 H LEU 27 1.362 -7.455 5.252
184 HA LEU 27 HA LEU 27 -1.369 -7.944 6.241
185 1HB LEU 27 2HB LEU 27 -1.160 -5.603 5.770
186 2HB LEU 27 1HB LEU 27 -0.375 -5.921 4.237
187 HG LEU 27 HG LEU 27 -3.170 -6.888 4.678
188 1HD1 LEU 27 1HD1 LEU 27 -3.746 -4.763 5.178
189 2HD1 LEU 27 2HD1 LEU 27 -3.624 -4.559 3.431
190 3HD1 LEU 27 3HD1 LEU 27 -2.281 -4.082 4.470
191 1HD2 LEU 27 1HD2 LEU 27 -1.303 -6.522 2.455
192 2HD2 LEU 27 2HD2 LEU 27 -2.931 -5.928 2.133
193 3HD2 LEU 27 3HD2 LEU 27 -2.684 -7.606 2.613
194 H THR 28 H THR 28 -2.454 -9.519 5.210
195 HA THR 28 HA THR 28 -1.291 -10.533 2.702
196 HB THR 28 HB THR 28 -2.865 -12.059 4.781
197 HG1 THR 28 HG1 THR 28 -0.097 -11.882 4.244
198 1HG2 THR 28 1HG2 THR 28 -1.834 -14.033 3.556
199 2HG2 THR 28 2HG2 THR 28 -1.554 -12.908 2.226
200 3HG2 THR 28 3HG2 THR 28 -3.196 -13.222 2.787
201 H TRP 29 H TRP 29 -2.476 -10.511 0.942
202 HA TRP 29 HA TRP 29 -5.314 -9.856 1.117
203 1HB TRP 29 2HB TRP 29 -3.999 -8.351 -0.265
204 2HB TRP 29 1HB TRP 29 -3.330 -9.708 -1.166
205 HD1 TRP 29 HD1 TRP 29 -6.773 -8.110 -0.512
206 HE1 TRP 29 HE1 TRP 29 -8.199 -8.352 -2.642
207 HE3 TRP 29 HE3 TRP 29 -3.510 -10.826 -3.334
208 HZ2 TRP 29 HZ2 TRP 29 -7.963 -9.562 -5.189
209 HZ3 TRP 29 HZ3 TRP 29 -4.182 -11.496 -5.605
210 HH2 TRP 29 HH2 TRP 29 -6.360 -10.877 -6.510
211 H ARG 30 H ARG 30 -6.812 -11.343 0.605
212 HA ARG 30 HA ARG 30 -5.907 -13.753 -0.838
213 1HB ARG 30 2HB ARG 30 -6.293 -14.248 1.533
214 2HB ARG 30 1HB ARG 30 -7.933 -13.625 1.403
215 1HG ARG 30 2HG ARG 30 -8.202 -15.926 1.273
216 2HG ARG 30 1HG ARG 30 -8.253 -15.407 -0.411
217 1HD ARG 30 2HD ARG 30 -5.866 -15.984 -0.632
218 2HD ARG 30 1HD ARG 30 -5.874 -16.567 1.032
219 HE ARG 30 HE ARG 30 -6.888 -17.924 -1.282
220 1HH1 ARG 30 1HH1 ARG 30 -7.172 -17.608 2.182
221 2HH1 ARG 30 2HH1 ARG 30 -7.825 -19.197 2.399
222 1HH2 ARG 30 1HH2 ARG 30 -7.746 -20.014 -0.999
223 2HH2 ARG 30 2HH2 ARG 30 -8.151 -20.564 0.594
224 H SER 31 H SER 31 -6.823 -13.872 -2.765
225 HA SER 31 HA SER 31 -8.786 -12.305 -3.819
226 1HB SER 31 2HB SER 31 -7.483 -13.743 -5.243
227 2HB SER 31 1HB SER 31 -8.152 -15.185 -4.480
228 HG SER 31 HG SER 31 -9.369 -13.381 -6.259
229 H THR 32 H THR 32 -11.024 -12.905 -4.522
230 HA THR 32 HA THR 32 -12.584 -13.603 -2.247
231 HB THR 32 HB THR 32 -14.109 -13.649 -4.686
232 HG1 THR 32 HG1 THR 32 -12.998 -12.304 -5.832
233 1HG2 THR 32 1HG2 THR 32 -14.953 -12.912 -2.493
234 2HG2 THR 32 2HG2 THR 32 -15.219 -11.727 -3.772
235 3HG2 THR 32 3HG2 THR 32 -13.920 -11.488 -2.605
236 H ASP 33 H ASP 33 -11.756 -15.097 -5.283
237 HA ASP 33 HA ASP 33 -13.271 -17.462 -4.747
238 1HB ASP 33 2HB ASP 33 -12.971 -16.580 -7.054
239 2HB ASP 33 1HB ASP 33 -11.257 -16.973 -6.940
240 H GLY 34 H GLY 34 -10.087 -16.334 -4.168
241 1HA GLY 34 2HA GLY 34 -8.539 -17.332 -2.721
242 2HA GLY 34 1HA GLY 34 -9.430 -18.841 -2.843
243 H ASP 35 H ASP 35 -8.366 -16.953 -5.606
244 HA ASP 35 HA ASP 35 -6.611 -19.189 -6.353
245 1HB ASP 35 2HB ASP 35 -7.988 -17.109 -8.056
246 2HB ASP 35 1HB ASP 35 -6.837 -18.287 -8.680
247 H LYS 36 H LYS 36 -6.623 -15.864 -5.513
248 HA LYS 36 HA LYS 36 -3.761 -15.708 -6.176
249 1HB LYS 36 2HB LYS 36 -5.543 -13.289 -6.246
250 2HB LYS 36 1HB LYS 36 -3.940 -13.492 -6.937
251 1HG LYS 36 2HG LYS 36 -5.486 -15.413 -8.211
252 2HG LYS 36 1HG LYS 36 -6.533 -13.997 -8.103
253 1HD LYS 36 2HD LYS 36 -3.753 -14.086 -9.272
254 2HD LYS 36 1HD LYS 36 -5.264 -13.950 -10.172
255 1HE LYS 36 2HE LYS 36 -4.808 -11.745 -10.094
256 2HE LYS 36 1HE LYS 36 -5.523 -11.863 -8.486
257 1HZ LYS 36 1HZ LYS 36 -3.541 -11.580 -7.487
258 2HZ LYS 36 2HZ LYS 36 -3.120 -10.836 -8.947
259 3HZ LYS 36 3HZ LYS 36 -2.682 -12.445 -8.662
260 H VAL 37 H VAL 37 -2.450 -14.992 -4.588
261 HA VAL 37 HA VAL 37 -3.636 -13.668 -2.259
262 HB VAL 37 HB VAL 37 -3.505 -16.088 -1.742
263 1HG1 VAL 37 1HG1 VAL 37 -1.496 -16.528 -3.159
264 2HG1 VAL 37 2HG1 VAL 37 -1.412 -17.222 -1.541
265 3HG1 VAL 37 3HG1 VAL 37 -0.516 -15.750 -1.917
266 1HG2 VAL 37 1HG2 VAL 37 -1.897 -14.076 -0.229
267 2HG2 VAL 37 2HG2 VAL 37 -1.968 -15.745 0.334
268 3HG2 VAL 37 3HG2 VAL 37 -3.453 -14.805 0.175
269 H HIS 38 H HIS 38 -2.346 -12.155 -1.308
270 HA HIS 38 HA HIS 38 0.454 -11.978 -2.162
271 1HB HIS 38 2HB HIS 38 -0.946 -10.475 -3.589
272 2HB HIS 38 1HB HIS 38 -1.399 -9.599 -2.132
273 HD1 HIS 38 HD1 HIS 38 1.822 -10.572 -3.916
274 HD2 HIS 38 HD2 HIS 38 0.211 -7.492 -1.639
275 HE1 HIS 38 HE1 HIS 38 3.596 -8.790 -3.844
276 HE2 HIS 38 HE2 HIS 38 2.632 -6.974 -2.389
277 H THR 39 H THR 39 1.841 -11.000 -0.730
278 HA THR 39 HA THR 39 0.714 -10.277 1.894
279 HB THR 39 HB THR 39 3.245 -11.864 1.423
280 HG1 THR 39 HG1 THR 39 0.668 -12.626 2.298
281 1HG2 THR 39 1HG2 THR 39 2.835 -12.309 3.951
282 2HG2 THR 39 2HG2 THR 39 1.975 -10.771 3.881
283 3HG2 THR 39 3HG2 THR 39 3.679 -10.850 3.431
284 H VAL 40 H VAL 40 1.447 -8.430 2.768
285 HA VAL 40 HA VAL 40 3.810 -7.161 1.542
286 HB VAL 40 HB VAL 40 1.304 -5.769 2.497
287 1HG1 VAL 40 1HG1 VAL 40 4.035 -4.820 2.039
288 2HG1 VAL 40 2HG1 VAL 40 2.702 -4.066 2.919
289 3HG1 VAL 40 3HG1 VAL 40 2.804 -3.901 1.165
290 1HG2 VAL 40 1HG2 VAL 40 1.047 -6.859 0.315
291 2HG2 VAL 40 2HG2 VAL 40 2.466 -5.996 -0.278
292 3HG2 VAL 40 3HG2 VAL 40 1.015 -5.101 0.178
293 H VAL 41 H VAL 41 5.241 -6.171 2.876
294 HA VAL 41 HA VAL 41 5.010 -6.761 5.711
295 HB VAL 41 HB VAL 41 7.166 -7.187 4.807
296 1HG1 VAL 41 1HG1 VAL 41 7.192 -6.037 2.779
297 2HG1 VAL 41 2HG1 VAL 41 8.479 -5.293 3.725
298 3HG1 VAL 41 3HG1 VAL 41 6.923 -4.478 3.554
299 1HG2 VAL 41 1HG2 VAL 41 8.631 -5.480 5.977
300 2HG2 VAL 41 2HG2 VAL 41 7.421 -6.290 6.972
301 3HG2 VAL 41 3HG2 VAL 41 7.141 -4.643 6.408
302 H LEU 42 H LEU 42 4.029 -5.372 7.025
303 HA LEU 42 HA LEU 42 3.361 -2.728 6.186
304 1HB LEU 42 2HB LEU 42 3.044 -4.002 8.899
305 2HB LEU 42 1HB LEU 42 2.254 -2.537 8.347
306 HG LEU 42 HG LEU 42 1.805 -5.320 7.273
307 1HD1 LEU 42 1HD1 LEU 42 -0.106 -5.413 8.481
308 2HD1 LEU 42 2HD1 LEU 42 -0.362 -3.669 8.421
309 3HD1 LEU 42 3HD1 LEU 42 0.811 -4.350 9.547
310 1HD2 LEU 42 1HD2 LEU 42 -0.170 -3.862 6.199
311 2HD2 LEU 42 2HD2 LEU 42 1.362 -4.170 5.379
312 3HD2 LEU 42 3HD2 LEU 42 1.109 -2.647 6.230
313 H SER 43 H SER 43 5.831 -4.100 8.237
314 HA SER 43 HA SER 43 6.560 -1.885 9.733
315 1HB SER 43 2HB SER 43 8.809 -2.950 9.882
316 2HB SER 43 1HB SER 43 7.479 -4.059 10.216
317 HG SER 43 HG SER 43 9.232 -3.970 8.050
318 H THR 44 H THR 44 7.001 -2.421 6.363
319 HA THR 44 HA THR 44 9.053 -0.354 6.182
320 HB THR 44 HB THR 44 9.638 -1.210 4.168
321 HG1 THR 44 HG1 THR 44 6.932 -1.864 3.633
322 1HG2 THR 44 1HG2 THR 44 9.263 -3.555 3.888
323 2HG2 THR 44 2HG2 THR 44 7.878 -3.500 4.978
324 3HG2 THR 44 3HG2 THR 44 9.501 -3.211 5.601
325 H ILE 45 H ILE 45 5.669 -0.780 5.711
326 HA ILE 45 HA ILE 45 5.028 1.175 3.884
327 HB ILE 45 HB ILE 45 3.489 0.519 6.399
328 1HG1 ILE 45 2HG1 ILE 45 3.995 -1.445 4.978
329 2HG1 ILE 45 1HG1 ILE 45 2.274 -1.078 5.018
330 1HG2 ILE 45 1HG2 ILE 45 2.909 2.215 4.047
331 2HG2 ILE 45 2HG2 ILE 45 2.329 2.338 5.708
332 3HG2 ILE 45 3HG2 ILE 45 1.605 1.166 4.606
333 1HD1 ILE 45 1HD1 ILE 45 3.089 0.329 2.838
334 2HD1 ILE 45 2HD1 ILE 45 2.401 -1.294 2.803
335 3HD1 ILE 45 3HD1 ILE 45 4.150 -1.077 2.784
336 H ASP 46 H ASP 46 6.294 2.983 3.980
337 HA ASP 46 HA ASP 46 6.627 4.490 6.393
338 1HB ASP 46 2HB ASP 46 8.336 4.390 4.578
339 2HB ASP 46 1HB ASP 46 7.247 5.318 3.552
340 H LYS 47 H LYS 47 4.394 4.553 3.698
341 HA LYS 47 HA LYS 47 2.993 6.749 5.030
342 1HB LYS 47 2HB LYS 47 3.649 8.176 3.424
343 2HB LYS 47 1HB LYS 47 4.324 6.876 2.450
344 1HG LYS 47 2HG LYS 47 2.150 6.412 1.514
345 2HG LYS 47 1HG LYS 47 1.430 7.677 2.509
346 1HD LYS 47 2HD LYS 47 1.882 8.385 0.160
347 2HD LYS 47 1HD LYS 47 2.690 9.379 1.374
348 1HE LYS 47 2HE LYS 47 4.279 7.099 0.465
349 2HE LYS 47 1HE LYS 47 3.886 8.245 -0.815
350 1HZ LYS 47 1HZ LYS 47 5.768 9.190 -0.002
351 2HZ LYS 47 2HZ LYS 47 5.536 8.613 1.570
352 3HZ LYS 47 3HZ LYS 47 4.651 9.946 1.019
353 H LEU 48 H LEU 48 0.764 6.965 4.380
354 HA LEU 48 HA LEU 48 -0.390 4.530 3.208
355 1HB LEU 48 2HB LEU 48 -1.214 6.011 5.692
356 2HB LEU 48 1HB LEU 48 -2.352 5.013 4.806
357 HG LEU 48 HG LEU 48 0.203 4.083 6.108
358 1HD1 LEU 48 1HD1 LEU 48 -1.965 4.639 7.452
359 2HD1 LEU 48 2HD1 LEU 48 -1.084 3.145 7.773
360 3HD1 LEU 48 3HD1 LEU 48 -2.540 3.116 6.778
361 1HD2 LEU 48 1HD2 LEU 48 -1.822 2.606 4.441
362 2HD2 LEU 48 2HD2 LEU 48 -0.633 1.813 5.473
363 3HD2 LEU 48 3HD2 LEU 48 -0.101 2.807 4.117
364 H GLN 49 H GLN 49 -1.622 4.947 1.503
365 HA GLN 49 HA GLN 49 -2.778 7.646 1.247
366 1HB GLN 49 2HB GLN 49 -1.426 5.895 -0.778
367 2HB GLN 49 1HB GLN 49 -2.614 7.084 -1.292
368 1HG GLN 49 2HG GLN 49 -1.298 8.864 -0.301
369 2HG GLN 49 1HG GLN 49 -0.126 7.687 0.291
370 1HE2 GLN 49 1HE2 GLN 49 0.610 9.812 -1.307
371 2HE2 GLN 49 2HE2 GLN 49 1.126 9.216 -2.844
372 H ALA 50 H ALA 50 -4.886 7.813 0.712
373 HA ALA 50 HA ALA 50 -6.335 5.482 -0.254
374 1HB ALA 50 1HB ALA 50 -7.993 5.542 1.508
375 2HB ALA 50 2HB ALA 50 -7.145 6.872 2.296
376 3HB ALA 50 3HB ALA 50 -6.391 5.280 2.200
377 H THR 51 H THR 51 -8.359 5.970 -1.170
378 HA THR 51 HA THR 51 -8.516 8.604 -2.290
379 HB THR 51 HB THR 51 -10.570 7.729 -3.404
380 HG1 THR 51 HG1 THR 51 -11.510 6.163 -2.388
381 1HG2 THR 51 1HG2 THR 51 -9.530 6.040 -4.772
382 2HG2 THR 51 2HG2 THR 51 -8.256 5.814 -3.574
383 3HG2 THR 51 3HG2 THR 51 -8.385 7.341 -4.448
384 HA PRO 52 HA PRO 52 -10.893 10.415 1.023
385 1HB PRO 52 2HB PRO 52 -11.879 12.535 -0.447
386 2HB PRO 52 1HB PRO 52 -10.299 12.504 0.342
387 1HG PRO 52 2HG PRO 52 -11.003 11.970 -2.513
388 2HG PRO 52 1HG PRO 52 -9.620 12.857 -1.844
389 1HD PRO 52 2HD PRO 52 -9.366 10.349 -2.756
390 2HD PRO 52 1HD PRO 52 -8.462 10.912 -1.333
391 H ALA 53 H ALA 53 -13.071 10.752 1.611
392 HA ALA 53 HA ALA 53 -14.922 8.974 0.489
393 1HB ALA 53 1HB ALA 53 -16.590 10.193 1.925
394 2HB ALA 53 2HB ALA 53 -15.290 11.298 2.367
395 3HB ALA 53 3HB ALA 53 -15.166 9.587 2.770
396 H SER 54 H SER 54 -14.563 12.483 0.124
397 HA SER 54 HA SER 54 -16.867 12.945 -1.395
398 1HB SER 54 2HB SER 54 -15.778 15.020 -2.112
399 2HB SER 54 1HB SER 54 -15.514 14.750 -0.391
400 HG SER 54 HG SER 54 -13.673 14.088 -2.449
401 H SER 55 H SER 55 -13.807 11.592 -2.241
402 HA SER 55 HA SER 55 -14.156 11.862 -5.074
403 1HB SER 55 2HB SER 55 -11.899 11.868 -4.286
404 2HB SER 55 1HB SER 55 -12.149 10.370 -3.390
405 HG SER 55 HG SER 55 -11.135 9.799 -5.256
406 H GLU 56 H GLU 56 -15.382 10.609 -6.286
407 HA GLU 56 HA GLU 56 -16.839 8.425 -5.350
408 1HB GLU 56 2HB GLU 56 -16.036 9.112 -8.184
409 2HB GLU 56 1HB GLU 56 -17.259 7.926 -7.751
410 1HG GLU 56 2HG GLU 56 -18.565 9.703 -6.662
411 2HG GLU 56 1HG GLU 56 -17.355 10.878 -7.174
412 H LYS 57 H LYS 57 -13.567 8.660 -6.297
413 HA LYS 57 HA LYS 57 -13.123 6.004 -7.176
414 1HB LYS 57 2HB LYS 57 -11.146 7.862 -5.842
415 2HB LYS 57 1HB LYS 57 -10.767 6.478 -6.860
416 1HG LYS 57 2HG LYS 57 -12.120 9.024 -7.728
417 2HG LYS 57 1HG LYS 57 -10.468 8.523 -8.100
418 1HD LYS 57 2HD LYS 57 -11.519 6.464 -9.183
419 2HD LYS 57 1HD LYS 57 -13.050 7.333 -9.076
420 1HE LYS 57 2HE LYS 57 -12.463 8.841 -10.675
421 2HE LYS 57 1HE LYS 57 -10.752 8.786 -10.252
422 1HZ LYS 57 1HZ LYS 57 -12.177 6.594 -11.657
423 2HZ LYS 57 2HZ LYS 57 -10.510 6.733 -11.405
424 3HZ LYS 57 3HZ LYS 57 -11.299 7.805 -12.448
425 H MET 58 H MET 58 -11.991 4.311 -6.043
426 HA MET 58 HA MET 58 -12.112 4.397 -3.120
427 1HB MET 58 2HB MET 58 -13.371 2.179 -4.742
428 2HB MET 58 1HB MET 58 -13.310 2.289 -2.989
429 1HG MET 58 2HG MET 58 -14.611 4.469 -3.259
430 2HG MET 58 1HG MET 58 -14.910 3.936 -4.914
431 1HE MET 58 1HE MET 58 -14.840 2.820 -1.306
432 2HE MET 58 2HE MET 58 -14.806 1.163 -1.909
433 3HE MET 58 3HE MET 58 -16.249 1.775 -1.102
434 H MET 59 H MET 59 -9.835 4.345 -3.123
435 HA MET 59 HA MET 59 -8.731 1.698 -3.448
436 1HB MET 59 2HB MET 59 -7.602 3.999 -5.045
437 2HB MET 59 1HB MET 59 -6.915 2.384 -4.944
438 1HG MET 59 2HG MET 59 -9.057 1.518 -5.919
439 2HG MET 59 1HG MET 59 -9.518 3.196 -6.206
440 1HE MET 59 1HE MET 59 -6.925 4.474 -8.689
441 2HE MET 59 2HE MET 59 -6.169 4.181 -7.123
442 3HE MET 59 3HE MET 59 -7.805 4.836 -7.204
443 H LEU 60 H LEU 60 -6.618 1.451 -2.545
444 HA LEU 60 HA LEU 60 -5.748 3.658 -0.808
445 1HB LEU 60 2HB LEU 60 -6.983 1.309 0.068
446 2HB LEU 60 1HB LEU 60 -5.276 1.057 0.380
447 HG LEU 60 HG LEU 60 -5.721 3.614 1.338
448 1HD1 LEU 60 1HD1 LEU 60 -8.135 1.894 1.784
449 2HD1 LEU 60 2HD1 LEU 60 -8.055 3.573 1.250
450 3HD1 LEU 60 3HD1 LEU 60 -7.670 3.159 2.921
451 1HD2 LEU 60 1HD2 LEU 60 -5.610 0.925 2.675
452 2HD2 LEU 60 2HD2 LEU 60 -5.665 2.435 3.587
453 3HD2 LEU 60 3HD2 LEU 60 -4.321 2.115 2.492
454 H ARG 61 H ARG 61 -3.663 4.124 -1.102
455 HA ARG 61 HA ARG 61 -1.951 2.088 -2.366
456 1HB ARG 61 2HB ARG 61 -1.949 5.087 -2.459
457 2HB ARG 61 1HB ARG 61 -0.493 4.182 -2.849
458 1HG ARG 61 2HG ARG 61 -1.678 3.016 -4.625
459 2HG ARG 61 1HG ARG 61 -3.158 3.890 -4.220
460 1HD ARG 61 2HD ARG 61 -2.266 5.062 -6.039
461 2HD ARG 61 1HD ARG 61 -1.802 6.016 -4.631
462 HE ARG 61 HE ARG 61 0.331 4.406 -4.992
463 1HH1 ARG 61 1HH1 ARG 61 -1.447 6.497 -7.148
464 2HH1 ARG 61 2HH1 ARG 61 -0.076 6.842 -8.147
465 1HH2 ARG 61 1HH2 ARG 61 2.137 4.860 -6.305
466 2HH2 ARG 61 2HH2 ARG 61 1.959 5.912 -7.668
467 H LEU 62 H LEU 62 -0.305 1.246 -1.268
468 HA LEU 62 HA LEU 62 0.507 2.536 1.256
469 1HB LEU 62 2HB LEU 62 0.597 -0.355 0.396
470 2HB LEU 62 1HB LEU 62 1.352 0.242 1.856
471 HG LEU 62 HG LEU 62 -0.595 0.305 3.001
472 1HD1 LEU 62 1HD1 LEU 62 -1.528 2.135 1.653
473 2HD1 LEU 62 2HD1 LEU 62 -2.753 0.956 2.120
474 3HD1 LEU 62 3HD1 LEU 62 -2.110 0.956 0.478
475 1HD2 LEU 62 1HD2 LEU 62 -1.735 -1.380 0.803
476 2HD2 LEU 62 2HD2 LEU 62 -1.924 -1.553 2.548
477 3HD2 LEU 62 3HD2 LEU 62 -0.384 -1.947 1.785
478 H ILE 63 H ILE 63 2.501 3.385 1.326
479 HA ILE 63 HA ILE 63 4.460 2.463 -0.669
480 HB ILE 63 HB ILE 63 4.215 5.129 0.722
481 1HG1 ILE 63 2HG1 ILE 63 4.438 5.629 -1.924
482 2HG1 ILE 63 1HG1 ILE 63 3.653 4.056 -1.971
483 1HG2 ILE 63 1HG2 ILE 63 6.562 4.579 0.673
484 2HG2 ILE 63 2HG2 ILE 63 6.231 5.787 -0.568
485 3HG2 ILE 63 3HG2 ILE 63 6.448 4.095 -1.021
486 1HD1 ILE 63 1HD1 ILE 63 2.256 6.228 -1.953
487 2HD1 ILE 63 2HD1 ILE 63 2.559 6.181 -0.214
488 3HD1 ILE 63 3HD1 ILE 63 1.741 4.832 -1.008
489 H GLY 64 H GLY 64 6.396 1.696 -0.052
490 1HA GLY 64 2HA GLY 64 6.777 1.241 2.814
491 2HA GLY 64 1HA GLY 64 7.628 0.423 1.511
492 H LYS 65 H LYS 65 9.446 0.947 3.061
493 HA LYS 65 HA LYS 65 10.334 3.686 3.133
494 1HB LYS 65 2HB LYS 65 11.860 1.193 3.898
495 2HB LYS 65 1HB LYS 65 12.243 2.844 4.361
496 1HG LYS 65 2HG LYS 65 9.643 2.498 5.236
497 2HG LYS 65 1HG LYS 65 10.421 0.950 5.574
498 1HD LYS 65 2HD LYS 65 11.111 1.960 7.460
499 2HD LYS 65 1HD LYS 65 12.326 2.700 6.414
500 1HE LYS 65 2HE LYS 65 11.128 4.702 6.246
501 2HE LYS 65 1HE LYS 65 9.633 3.959 6.812
502 1HZ LYS 65 1HZ LYS 65 11.189 3.567 8.922
503 2HZ LYS 65 2HZ LYS 65 10.236 4.951 8.726
504 3HZ LYS 65 3HZ LYS 65 11.881 4.994 8.335
505 H VAL 66 H VAL 66 12.036 4.598 2.019
506 HA VAL 66 HA VAL 66 12.828 3.164 -0.409
507 HB VAL 66 HB VAL 66 11.776 5.555 -0.355
508 1HG1 VAL 66 1HG1 VAL 66 14.584 6.511 -0.304
509 2HG1 VAL 66 2HG1 VAL 66 13.756 6.244 1.230
510 3HG1 VAL 66 3HG1 VAL 66 13.088 7.374 0.053
511 1HG2 VAL 66 1HG2 VAL 66 12.269 5.506 -2.514
512 2HG2 VAL 66 2HG2 VAL 66 13.352 4.155 -2.177
513 3HG2 VAL 66 3HG2 VAL 66 13.976 5.806 -2.187
514 H ASP 67 H ASP 67 15.097 4.695 -1.014
515 HA ASP 67 HA ASP 67 17.033 4.778 1.015
516 1HB ASP 67 2HB ASP 67 16.636 2.271 0.843
517 2HB ASP 67 1HB ASP 67 17.334 2.361 -0.771
518 H GLU 68 H GLU 68 16.933 6.743 -0.398
519 HA GLU 68 HA GLU 68 17.760 6.789 -3.049
520 1HB GLU 68 2HB GLU 68 18.333 8.908 -0.974
521 2HB GLU 68 1HB GLU 68 18.257 9.137 -2.716
522 1HG GLU 68 2HG GLU 68 15.978 8.426 -0.886
523 2HG GLU 68 1HG GLU 68 16.243 9.963 -1.708
524 H SER 69 H SER 69 19.587 6.169 -0.218
525 HA SER 69 HA SER 69 22.127 7.028 -0.961
526 1HB SER 69 2HB SER 69 21.532 6.179 1.294
527 2HB SER 69 1HB SER 69 21.445 4.547 0.633
528 HG SER 69 HG SER 69 23.517 5.419 1.659
529 H LYS 70 H LYS 70 20.210 4.520 -2.282
530 HA LYS 70 HA LYS 70 22.133 2.706 -3.168
531 1HB LYS 70 2HB LYS 70 19.510 3.533 -4.418
532 2HB LYS 70 1HB LYS 70 20.475 2.175 -4.980
533 1HG LYS 70 2HG LYS 70 19.390 2.430 -2.186
534 2HG LYS 70 1HG LYS 70 18.592 1.547 -3.488
535 1HD LYS 70 2HD LYS 70 21.403 0.826 -3.128
536 2HD LYS 70 1HD LYS 70 20.396 0.486 -1.719
537 1HE LYS 70 2HE LYS 70 19.235 -1.138 -2.775
538 2HE LYS 70 1HE LYS 70 19.256 -0.291 -4.321
539 1HZ LYS 70 1HZ LYS 70 21.351 -1.120 -4.834
540 2HZ LYS 70 2HZ LYS 70 20.579 -2.445 -4.119
541 3HZ LYS 70 3HZ LYS 70 21.700 -1.541 -3.233
542 H LYS 71 H LYS 71 20.873 5.624 -4.762
543 HA LYS 71 HA LYS 71 21.702 6.922 -6.432
544 1HB LYS 71 2HB LYS 71 24.137 5.706 -5.239
545 2HB LYS 71 1HB LYS 71 24.318 6.471 -6.812
546 1HG LYS 71 2HG LYS 71 24.617 8.366 -5.689
547 2HG LYS 71 1HG LYS 71 22.879 8.329 -5.388
548 1HD LYS 71 2HD LYS 71 23.959 8.647 -3.286
549 2HD LYS 71 1HD LYS 71 23.359 6.987 -3.323
550 1HE LYS 71 2HE LYS 71 25.659 6.295 -4.086
551 2HE LYS 71 1HE LYS 71 26.188 7.939 -3.729
552 1HZ LYS 71 1HZ LYS 71 26.656 6.536 -1.865
553 2HZ LYS 71 2HZ LYS 71 25.061 5.983 -1.802
554 3HZ LYS 71 3HZ LYS 71 25.410 7.594 -1.429
555 H ARG 72 H ARG 72 20.581 6.055 -8.137
556 HA ARG 72 HA ARG 72 21.894 3.895 -9.642
557 1HB ARG 72 2HB ARG 72 19.033 4.866 -9.738
558 2HB ARG 72 1HB ARG 72 19.694 3.583 -10.740
559 1HG ARG 72 2HG ARG 72 19.567 3.525 -7.733
560 2HG ARG 72 1HG ARG 72 18.411 2.745 -8.814
561 1HD ARG 72 2HD ARG 72 21.370 2.170 -8.744
562 2HD ARG 72 1HD ARG 72 20.135 1.198 -7.943
563 HE ARG 72 HE ARG 72 20.782 1.221 -10.744
564 1HH1 ARG 72 1HH1 ARG 72 18.305 0.529 -8.385
565 2HH1 ARG 72 2HH1 ARG 72 17.466 -0.587 -9.409
566 1HH2 ARG 72 1HH2 ARG 72 19.678 -0.245 -12.093
567 2HH2 ARG 72 2HH2 ARG 72 18.245 -1.026 -11.515
568 H LYS 73 H LYS 73 21.996 4.059 -11.956
569 HA LYS 73 HA LYS 73 21.988 6.849 -12.907
570 1HB LYS 73 2HB LYS 73 23.860 4.606 -13.681
571 2HB LYS 73 1HB LYS 73 23.841 6.201 -14.421
572 1HG LYS 73 2HG LYS 73 24.054 6.709 -11.702
573 2HG LYS 73 1HG LYS 73 25.094 5.311 -11.976
574 1HD LYS 73 2HD LYS 73 25.831 6.803 -14.070
575 2HD LYS 73 1HD LYS 73 25.337 8.091 -12.970
576 1HE LYS 73 2HE LYS 73 26.800 6.932 -11.229
577 2HE LYS 73 1HE LYS 73 27.465 6.006 -12.575
578 1HZ LYS 73 1HZ LYS 73 27.648 8.910 -12.073
579 2HZ LYS 73 2HZ LYS 73 27.896 8.275 -13.621
580 3HZ LYS 73 3HZ LYS 73 28.899 7.803 -12.344
581 H ASP 74 H ASP 74 21.249 7.274 -14.969
582 HA ASP 74 HA ASP 74 19.403 5.314 -16.034
583 1HB ASP 74 2HB ASP 74 19.055 7.896 -15.780
584 2HB ASP 74 1HB ASP 74 19.926 7.980 -17.307
585 H ASN 75 H ASN 75 19.285 5.183 -18.516
586 HA ASN 75 HA ASN 75 21.608 3.913 -19.445
587 1HB ASN 75 2HB ASN 75 19.255 4.967 -21.026
588 2HB ASN 75 1HB ASN 75 20.457 3.830 -21.629
589 1HD2 ASN 75 1HD2 ASN 75 20.783 2.102 -19.606
590 2HD2 ASN 75 2HD2 ASN 75 19.306 1.274 -19.261
591 H GLU 76 H GLU 76 20.767 7.227 -19.383
592 HA GLU 76 HA GLU 76 22.480 7.969 -21.595
593 1HB GLU 76 2HB GLU 76 20.912 9.594 -19.593
594 2HB GLU 76 1HB GLU 76 21.915 10.310 -20.848
595 1HG GLU 76 2HG GLU 76 19.628 8.433 -21.384
596 2HG GLU 76 1HG GLU 76 19.494 10.192 -21.396
597 H GLY 77 H GLY 77 23.209 6.875 -18.641
598 1HA GLY 77 2HA GLY 77 25.272 6.882 -17.580
599 2HA GLY 77 1HA GLY 77 25.786 8.176 -18.652
600 H ASN 78 H ASN 78 22.830 8.969 -17.297
601 HA ASN 78 HA ASN 78 24.139 10.806 -15.442
602 1HB ASN 78 2HB ASN 78 21.266 10.693 -16.387
603 2HB ASN 78 1HB ASN 78 21.959 11.953 -15.372
604 1HD2 ASN 78 1HD2 ASN 78 21.032 11.297 -18.399
605 2HD2 ASN 78 2HD2 ASN 78 22.082 12.345 -19.283
606 H GLU 79 H GLU 79 23.115 11.186 -13.311
607 HA GLU 79 HA GLU 79 22.454 8.620 -12.079
608 1HB GLU 79 2HB GLU 79 23.186 11.276 -10.834
609 2HB GLU 79 1HB GLU 79 22.890 9.789 -9.941
610 1HG GLU 79 2HG GLU 79 24.783 8.740 -11.117
611 2HG GLU 79 1HG GLU 79 25.099 10.273 -11.928
612 H VAL 80 H VAL 80 20.680 8.378 -10.641
613 HA VAL 80 HA VAL 80 18.597 10.438 -10.830
614 HB VAL 80 HB VAL 80 16.896 8.974 -11.465
615 1HG1 VAL 80 1HG1 VAL 80 18.174 9.450 -13.394
616 2HG1 VAL 80 2HG1 VAL 80 17.792 7.730 -13.472
617 3HG1 VAL 80 3HG1 VAL 80 19.399 8.256 -12.969
618 1HG2 VAL 80 1HG2 VAL 80 17.484 6.428 -11.707
619 2HG2 VAL 80 2HG2 VAL 80 17.021 7.091 -10.136
620 3HG2 VAL 80 3HG2 VAL 80 18.723 6.811 -10.511
621 H VAL 81 H VAL 81 16.916 10.232 -9.208
622 HA VAL 81 HA VAL 81 17.975 9.099 -6.715
623 HB VAL 81 HB VAL 81 15.677 11.038 -7.005
624 1HG1 VAL 81 1HG1 VAL 81 15.497 10.125 -4.892
625 2HG1 VAL 81 2HG1 VAL 81 16.515 11.533 -4.591
626 3HG1 VAL 81 3HG1 VAL 81 17.241 9.931 -4.713
627 1HG2 VAL 81 1HG2 VAL 81 17.416 12.307 -7.853
628 2HG2 VAL 81 2HG2 VAL 81 18.623 11.521 -6.837
629 3HG2 VAL 81 3HG2 VAL 81 17.494 12.676 -6.131
630 HA PRO 82 HA PRO 82 15.108 5.702 -7.776
631 1HB PRO 82 2HB PRO 82 15.920 5.142 -4.946
632 2HB PRO 82 1HB PRO 82 15.750 4.026 -6.307
633 1HG PRO 82 2HG PRO 82 18.153 4.892 -5.525
634 2HG PRO 82 1HG PRO 82 17.775 4.636 -7.237
635 1HD PRO 82 2HD PRO 82 18.125 7.166 -5.742
636 2HD PRO 82 1HD PRO 82 18.339 6.831 -7.470
637 H LYS 83 H LYS 83 12.986 5.326 -7.265
638 HA LYS 83 HA LYS 83 11.797 7.125 -5.268
639 1HB LYS 83 2HB LYS 83 10.423 7.656 -6.956
640 2HB LYS 83 1HB LYS 83 11.063 6.365 -7.959
641 1HG LYS 83 2HG LYS 83 9.496 4.793 -6.984
642 2HG LYS 83 1HG LYS 83 8.889 6.044 -5.896
643 1HD LYS 83 2HD LYS 83 7.647 7.021 -7.507
644 2HD LYS 83 1HD LYS 83 8.863 6.741 -8.756
645 1HE LYS 83 2HE LYS 83 8.141 4.514 -9.090
646 2HE LYS 83 1HE LYS 83 7.162 4.534 -7.623
647 1HZ LYS 83 1HZ LYS 83 6.626 6.266 -9.971
648 2HZ LYS 83 2HZ LYS 83 5.627 6.017 -8.630
649 3HZ LYS 83 3HZ LYS 83 5.888 4.761 -9.733
650 HA PRO 84 HA PRO 84 10.661 3.806 -2.664
651 1HB PRO 84 2HB PRO 84 8.250 5.307 -1.937
652 2HB PRO 84 1HB PRO 84 9.657 4.892 -0.951
653 1HG PRO 84 2HG PRO 84 9.256 7.394 -1.735
654 2HG PRO 84 1HG PRO 84 10.889 6.719 -1.711
655 1HD PRO 84 2HD PRO 84 9.016 7.014 -4.039
656 2HD PRO 84 1HD PRO 84 10.722 7.505 -3.903
657 H GLN 85 H GLN 85 9.351 2.009 -2.539
658 HA GLN 85 HA GLN 85 7.751 1.381 -4.781
659 1HB GLN 85 2HB GLN 85 8.744 0.031 -2.426
660 2HB GLN 85 1HB GLN 85 7.068 -0.410 -2.725
661 1HG GLN 85 2HG GLN 85 7.546 -1.473 -4.677
662 2HG GLN 85 1HG GLN 85 8.934 -0.444 -5.027
663 1HE2 GLN 85 1HE2 GLN 85 8.988 -3.206 -5.313
664 2HE2 GLN 85 2HE2 GLN 85 10.079 -3.867 -4.148
665 H ARG 86 H ARG 86 5.611 1.522 -5.139
666 HA ARG 86 HA ARG 86 3.901 2.424 -2.911
667 1HB ARG 86 2HB ARG 86 3.787 3.297 -5.805
668 2HB ARG 86 1HB ARG 86 2.608 3.735 -4.576
669 1HG ARG 86 2HG ARG 86 4.910 4.519 -3.384
670 2HG ARG 86 1HG ARG 86 5.292 4.796 -5.081
671 1HD ARG 86 2HD ARG 86 2.664 5.728 -4.047
672 2HD ARG 86 1HD ARG 86 4.109 6.641 -3.614
673 HE ARG 86 HE ARG 86 3.887 6.090 -6.426
674 1HH1 ARG 86 1HH1 ARG 86 2.984 8.276 -3.861
675 2HH1 ARG 86 2HH1 ARG 86 2.740 9.621 -4.923
676 1HH2 ARG 86 1HH2 ARG 86 3.567 7.858 -7.825
677 2HH2 ARG 86 2HH2 ARG 86 3.071 9.385 -7.174
678 H HIS 87 H HIS 87 2.248 1.112 -2.499
679 HA HIS 87 HA HIS 87 1.590 -0.987 -4.416
680 1HB HIS 87 2HB HIS 87 0.731 -0.597 -1.541
681 2HB HIS 87 1HB HIS 87 0.314 -1.985 -2.540
682 HD1 HIS 87 HD1 HIS 87 2.549 -3.324 -3.474
683 HD2 HIS 87 HD2 HIS 87 2.977 -0.964 -0.080
684 HE1 HIS 87 HE1 HIS 87 4.651 -4.132 -2.354
685 HE2 HIS 87 HE2 HIS 87 4.935 -2.633 -0.349
686 H MET 88 H MET 88 -0.682 -1.514 -4.842
687 HA MET 88 HA MET 88 -2.479 0.799 -4.606
688 1HB MET 88 2HB MET 88 -1.460 0.794 -6.853
689 2HB MET 88 1HB MET 88 -2.069 -0.832 -7.117
690 1HG MET 88 2HG MET 88 -4.370 0.025 -6.868
691 2HG MET 88 1HG MET 88 -3.715 1.654 -6.713
692 1HE MET 88 1HE MET 88 -5.362 1.616 -10.291
693 2HE MET 88 2HE MET 88 -5.234 2.524 -8.784
694 3HE MET 88 3HE MET 88 -5.928 0.902 -8.779
695 H PHE 89 H PHE 89 -4.448 0.308 -3.906
696 HA PHE 89 HA PHE 89 -5.507 -2.392 -4.313
697 1HB PHE 89 2HB PHE 89 -5.373 -0.985 -1.637
698 2HB PHE 89 1HB PHE 89 -6.272 -2.466 -1.948
699 HD1 PHE 89 HD1 PHE 89 -5.115 -4.569 -2.318
700 HD2 PHE 89 HD2 PHE 89 -2.976 -0.992 -1.460
701 HE1 PHE 89 HE1 PHE 89 -3.107 -5.897 -1.806
702 HE2 PHE 89 HE2 PHE 89 -0.965 -2.312 -0.948
703 HZ PHE 89 HZ PHE 89 -1.029 -4.769 -1.120
704 H SER 90 H SER 90 -7.784 -2.521 -4.299
705 HA SER 90 HA SER 90 -9.176 0.073 -4.264
706 1HB SER 90 2HB SER 90 -9.166 -0.353 -6.544
707 2HB SER 90 1HB SER 90 -9.247 -2.099 -6.323
708 HG SER 90 HG SER 90 -11.407 -1.915 -5.799
709 H PHE 91 H PHE 91 -10.807 0.164 -2.874
710 HA PHE 91 HA PHE 91 -11.975 -2.368 -1.927
711 1HB PHE 91 2HB PHE 91 -11.845 0.289 -0.488
712 2HB PHE 91 1HB PHE 91 -12.503 -1.208 0.160
713 HD1 PHE 91 HD1 PHE 91 -9.342 0.043 -1.380
714 HD2 PHE 91 HD2 PHE 91 -11.167 -2.425 1.568
715 HE1 PHE 91 HE1 PHE 91 -7.121 -0.548 -0.504
716 HE2 PHE 91 HE2 PHE 91 -8.949 -3.020 2.449
717 HZ PHE 91 HZ PHE 91 -6.922 -2.081 1.411
718 H ASN 92 H ASN 92 -14.264 -2.039 -1.032
719 HA ASN 92 HA ASN 92 -15.780 -0.213 -2.772
720 1HB ASN 92 2HB ASN 92 -17.484 -1.934 -3.078
721 2HB ASN 92 1HB ASN 92 -15.923 -2.477 -3.681
722 1HD2 ASN 92 1HD2 ASN 92 -16.025 -4.613 -3.436
723 2HD2 ASN 92 2HD2 ASN 92 -16.330 -5.431 -1.946
724 H ASN 93 H ASN 93 -14.927 -0.078 0.071
725 HA ASN 93 HA ASN 93 -17.505 0.669 1.153
726 1HB ASN 93 2HB ASN 93 -15.787 -1.442 2.470
727 2HB ASN 93 1HB ASN 93 -17.097 -0.595 3.286
728 1HD2 ASN 93 1HD2 ASN 93 -16.482 -3.443 2.196
729 2HD2 ASN 93 2HD2 ASN 93 -17.982 -3.897 1.468
730 H ARG 94 H ARG 94 -17.117 2.700 1.744
731 HA ARG 94 HA ARG 94 -14.629 3.824 2.237
732 1HB ARG 94 2HB ARG 94 -17.365 4.700 3.161
733 2HB ARG 94 1HB ARG 94 -15.918 5.684 3.336
734 1HG ARG 94 2HG ARG 94 -16.681 6.543 1.389
735 2HG ARG 94 1HG ARG 94 -15.746 5.199 0.729
736 1HD ARG 94 2HD ARG 94 -17.631 3.941 0.272
737 2HD ARG 94 1HD ARG 94 -18.615 4.798 1.458
738 HE ARG 94 HE ARG 94 -18.174 5.529 -1.286
739 1HH1 ARG 94 1HH1 ARG 94 -19.043 6.701 1.885
740 2HH1 ARG 94 2HH1 ARG 94 -19.896 8.080 1.277
741 1HH2 ARG 94 1HH2 ARG 94 -19.295 7.343 -2.087
742 2HH2 ARG 94 2HH2 ARG 94 -20.040 8.445 -0.977
743 H THR 95 H THR 95 -16.833 2.213 4.394
744 HA THR 95 HA THR 95 -15.642 2.986 6.821
745 HB THR 95 HB THR 95 -16.984 0.402 6.692
746 HG1 THR 95 HG1 THR 95 -18.309 1.136 5.203
747 1HG2 THR 95 1HG2 THR 95 -17.598 2.925 8.176
748 2HG2 THR 95 2HG2 THR 95 -16.687 1.550 8.800
749 3HG2 THR 95 3HG2 THR 95 -18.399 1.374 8.412
750 H VAL 96 H VAL 96 -15.393 0.038 4.850
751 HA VAL 96 HA VAL 96 -13.578 -1.330 6.480
752 HB VAL 96 HB VAL 96 -13.784 -1.496 3.467
753 1HG1 VAL 96 1HG1 VAL 96 -11.908 -2.649 5.097
754 2HG1 VAL 96 2HG1 VAL 96 -12.400 -3.253 3.515
755 3HG1 VAL 96 3HG1 VAL 96 -13.134 -3.910 4.978
756 1HG2 VAL 96 1HG2 VAL 96 -15.357 -3.327 3.848
757 2HG2 VAL 96 2HG2 VAL 96 -15.960 -1.817 4.532
758 3HG2 VAL 96 3HG2 VAL 96 -15.267 -3.048 5.588
759 H MET 97 H MET 97 -13.059 0.990 3.869
760 HA MET 97 HA MET 97 -10.253 0.757 3.737
761 1HB MET 97 2HB MET 97 -12.135 3.004 3.020
762 2HB MET 97 1HB MET 97 -10.399 3.102 2.754
763 1HG MET 97 2HG MET 97 -11.222 0.659 1.651
764 2HG MET 97 1HG MET 97 -12.419 1.853 1.157
765 1HE MET 97 1HE MET 97 -10.906 4.449 -0.618
766 2HE MET 97 2HE MET 97 -9.648 4.584 0.608
767 3HE MET 97 3HE MET 97 -11.316 4.281 1.089
768 H ASP 98 H ASP 98 -12.402 2.592 5.809
769 HA ASP 98 HA ASP 98 -10.467 4.320 6.917
770 1HB ASP 98 2HB ASP 98 -13.093 3.323 8.029
771 2HB ASP 98 1HB ASP 98 -12.125 4.589 8.778
772 H ASN 99 H ASN 99 -11.504 1.088 7.695
773 HA ASN 99 HA ASN 99 -10.160 0.893 10.191
774 1HB ASN 99 2HB ASN 99 -11.023 -1.304 8.295
775 2HB ASN 99 1HB ASN 99 -10.534 -1.532 9.973
776 1HD2 ASN 99 1HD2 ASN 99 -13.107 -1.860 8.342
777 2HD2 ASN 99 2HD2 ASN 99 -14.308 -1.115 9.337
778 H ILE 100 H ILE 100 -9.293 0.050 6.870
779 HA ILE 100 HA ILE 100 -6.853 -1.233 7.442
780 HB ILE 100 HB ILE 100 -7.555 0.335 4.956
781 1HG1 ILE 100 2HG1 ILE 100 -9.217 -1.443 5.588
782 2HG1 ILE 100 1HG1 ILE 100 -8.433 -1.700 4.033
783 1HG2 ILE 100 1HG2 ILE 100 -5.986 -1.590 4.039
784 2HG2 ILE 100 2HG2 ILE 100 -5.341 -1.505 5.679
785 3HG2 ILE 100 3HG2 ILE 100 -5.334 -0.070 4.654
786 1HD1 ILE 100 1HD1 ILE 100 -7.139 -2.977 6.348
787 2HD1 ILE 100 2HD1 ILE 100 -7.414 -3.583 4.708
788 3HD1 ILE 100 3HD1 ILE 100 -8.724 -3.608 5.888
789 H LYS 101 H LYS 101 -7.524 2.121 6.456
790 HA LYS 101 HA LYS 101 -4.860 3.015 6.667
791 1HB LYS 101 2HB LYS 101 -7.350 4.685 7.011
792 2HB LYS 101 1HB LYS 101 -5.758 5.247 6.522
793 1HG LYS 101 2HG LYS 101 -6.009 4.543 4.384
794 2HG LYS 101 1HG LYS 101 -7.030 3.177 4.836
795 1HD LYS 101 2HD LYS 101 -8.242 4.937 3.572
796 2HD LYS 101 1HD LYS 101 -8.920 4.628 5.169
797 1HE LYS 101 2HE LYS 101 -8.634 7.071 4.405
798 2HE LYS 101 1HE LYS 101 -8.124 6.634 6.033
799 1HZ LYS 101 1HZ LYS 101 -6.600 8.002 4.364
800 2HZ LYS 101 2HZ LYS 101 -6.106 6.441 3.942
801 3HZ LYS 101 3HZ LYS 101 -5.961 6.967 5.541
802 H MET 102 H MET 102 -7.384 2.558 8.980
803 HA MET 102 HA MET 102 -6.189 4.168 11.034
804 1HB MET 102 2HB MET 102 -8.563 2.384 10.827
805 2HB MET 102 1HB MET 102 -7.915 2.700 12.432
806 1HG MET 102 2HG MET 102 -8.062 5.162 11.838
807 2HG MET 102 1HG MET 102 -9.034 4.660 10.457
808 1HE MET 102 1HE MET 102 -10.616 2.722 10.832
809 2HE MET 102 2HE MET 102 -12.092 3.550 11.326
810 3HE MET 102 3HE MET 102 -11.395 2.303 12.358
811 H THR 103 H THR 103 -6.247 0.750 10.168
812 HA THR 103 HA THR 103 -4.811 -0.016 12.554
813 HB THR 103 HB THR 103 -6.332 -1.334 10.541
814 HG1 THR 103 HG1 THR 103 -6.756 -1.879 12.574
815 1HG2 THR 103 1HG2 THR 103 -4.985 -3.367 10.297
816 2HG2 THR 103 2HG2 THR 103 -3.615 -2.502 10.999
817 3HG2 THR 103 3HG2 THR 103 -4.297 -1.972 9.462
818 H LEU 104 H LEU 104 -4.065 0.502 9.147
819 HA LEU 104 HA LEU 104 -1.430 -0.481 9.235
820 1HB LEU 104 2HB LEU 104 -2.950 1.326 7.415
821 2HB LEU 104 1HB LEU 104 -1.206 1.246 7.253
822 HG LEU 104 HG LEU 104 -3.067 -1.123 7.061
823 1HD1 LEU 104 1HD1 LEU 104 -3.169 0.628 5.212
824 2HD1 LEU 104 2HD1 LEU 104 -2.839 -1.036 4.732
825 3HD1 LEU 104 3HD1 LEU 104 -1.523 0.135 4.817
826 1HD2 LEU 104 1HD2 LEU 104 -1.273 -2.445 7.050
827 2HD2 LEU 104 2HD2 LEU 104 -0.367 -1.065 7.672
828 3HD2 LEU 104 3HD2 LEU 104 -0.404 -1.387 5.938
829 H GLN 105 H GLN 105 -2.794 2.716 9.846
830 HA GLN 105 HA GLN 105 -0.347 4.094 10.080
831 1HB GLN 105 2HB GLN 105 -3.161 4.637 10.593
832 2HB GLN 105 1HB GLN 105 -2.109 5.415 11.769
833 1HG GLN 105 2HG GLN 105 -1.299 6.878 10.277
834 2HG GLN 105 1HG GLN 105 -1.266 5.693 8.973
835 1HE2 GLN 105 1HE2 GLN 105 -2.030 7.784 7.916
836 2HE2 GLN 105 2HE2 GLN 105 -3.740 7.998 7.808
837 H GLN 106 H GLN 106 -2.139 2.095 12.269
838 HA GLN 106 HA GLN 106 -0.856 2.926 14.664
839 1HB GLN 106 2HB GLN 106 -2.391 0.444 13.909
840 2HB GLN 106 1HB GLN 106 -1.696 0.664 15.509
841 1HG GLN 106 2HG GLN 106 -3.054 2.599 15.901
842 2HG GLN 106 1HG GLN 106 -3.652 2.566 14.242
843 1HE2 GLN 106 1HE2 GLN 106 -5.346 2.583 16.426
844 2HE2 GLN 106 2HE2 GLN 106 -6.176 1.069 16.511
845 H ILE 107 H ILE 107 -0.090 0.600 12.170
846 HA ILE 107 HA ILE 107 1.956 -0.734 13.658
847 HB ILE 107 HB ILE 107 1.477 -0.695 10.673
848 1HG1 ILE 107 2HG1 ILE 107 0.815 -3.093 12.248
849 2HG1 ILE 107 1HG1 ILE 107 -0.190 -1.692 12.602
850 1HG2 ILE 107 1HG2 ILE 107 3.714 -1.406 11.073
851 2HG2 ILE 107 2HG2 ILE 107 2.758 -2.852 10.753
852 3HG2 ILE 107 3HG2 ILE 107 3.211 -2.444 12.407
853 1HD1 ILE 107 1HD1 ILE 107 0.192 -2.200 9.750
854 2HD1 ILE 107 2HD1 ILE 107 -1.276 -1.841 10.660
855 3HD1 ILE 107 3HD1 ILE 107 -0.645 -3.486 10.620
856 H ILE 108 H ILE 108 1.972 1.749 11.106
857 HA ILE 108 HA ILE 108 4.754 2.012 10.871
858 HB ILE 108 HB ILE 108 2.988 4.427 10.706
859 1HG1 ILE 108 2HG1 ILE 108 3.229 2.645 8.324
860 2HG1 ILE 108 1HG1 ILE 108 2.026 2.262 9.547
861 1HG2 ILE 108 1HG2 ILE 108 5.419 4.614 10.350
862 2HG2 ILE 108 2HG2 ILE 108 4.480 5.072 8.929
863 3HG2 ILE 108 3HG2 ILE 108 5.282 3.502 8.988
864 1HD1 ILE 108 1HD1 ILE 108 2.190 4.613 7.737
865 2HD1 ILE 108 2HD1 ILE 108 1.352 4.750 9.284
866 3HD1 ILE 108 3HD1 ILE 108 0.821 3.559 8.095
867 H SER 109 H SER 109 2.510 4.056 12.614
868 HA SER 109 HA SER 109 4.304 5.584 14.051
869 1HB SER 109 2HB SER 109 1.624 4.594 15.053
870 2HB SER 109 1HB SER 109 2.496 6.007 15.643
871 HG SER 109 HG SER 109 1.298 5.617 13.110
872 H ARG 110 H ARG 110 3.324 2.297 14.546
873 HA ARG 110 HA ARG 110 4.193 1.966 17.204
874 1HB ARG 110 2HB ARG 110 3.143 0.326 15.125
875 2HB ARG 110 1HB ARG 110 4.586 -0.456 15.754
876 1HG ARG 110 2HG ARG 110 3.595 -0.147 18.055
877 2HG ARG 110 1HG ARG 110 2.095 0.312 17.244
878 1HD ARG 110 2HD ARG 110 2.122 -1.851 16.049
879 2HD ARG 110 1HD ARG 110 3.565 -2.307 16.953
880 HE ARG 110 HE ARG 110 2.222 -2.845 18.712
881 1HH1 ARG 110 1HH1 ARG 110 0.466 -0.667 16.624
882 2HH1 ARG 110 2HH1 ARG 110 -1.007 -0.793 17.525
883 1HH2 ARG 110 1HH2 ARG 110 0.286 -3.010 19.899
884 2HH2 ARG 110 2HH2 ARG 110 -1.110 -2.122 19.384
885 H TYR 111 H TYR 111 5.797 1.609 14.115
886 HA TYR 111 HA TYR 111 8.302 0.830 15.338
887 1HB TYR 111 2HB TYR 111 7.467 1.357 12.487
888 2HB TYR 111 1HB TYR 111 9.139 1.027 12.931
889 HD1 TYR 111 HD1 TYR 111 9.728 -1.182 13.936
890 HD2 TYR 111 HD2 TYR 111 5.870 -0.396 12.327
891 HE1 TYR 111 HE1 TYR 111 9.281 -3.598 13.838
892 HE2 TYR 111 HE2 TYR 111 5.412 -2.808 12.227
893 HH TYR 111 HH TYR 111 7.873 -5.168 12.740
894 H LYS 112 H LYS 112 6.769 3.699 14.112
895 HA LYS 112 HA LYS 112 9.034 5.342 13.810
896 1HB LYS 112 2HB LYS 112 6.201 6.093 14.548
897 2HB LYS 112 1HB LYS 112 7.439 7.215 14.004
898 1HG LYS 112 2HG LYS 112 7.438 5.329 12.019
899 2HG LYS 112 1HG LYS 112 5.735 5.417 12.475
900 1HD LYS 112 2HD LYS 112 6.205 8.009 12.388
901 2HD LYS 112 1HD LYS 112 7.505 7.502 11.304
902 1HE LYS 112 2HE LYS 112 5.960 6.460 9.819
903 2HE LYS 112 1HE LYS 112 4.636 6.653 10.967
904 1HZ LYS 112 1HZ LYS 112 4.373 8.829 10.444
905 2HZ LYS 112 2HZ LYS 112 4.996 8.304 8.961
906 3HZ LYS 112 3HZ LYS 112 6.007 9.073 10.077
907 H ASP 113 H ASP 113 6.900 4.720 16.557
908 HA ASP 113 HA ASP 113 7.976 6.576 18.347
909 1HB ASP 113 2HB ASP 113 5.856 5.368 18.724
910 2HB ASP 113 1HB ASP 113 6.755 3.875 18.967
911 H ALA 114 H ALA 114 8.958 3.289 17.553
912 HA ALA 114 HA ALA 114 10.847 2.955 19.619
913 1HB ALA 114 1HB ALA 114 9.819 1.330 17.727
914 2HB ALA 114 2HB ALA 114 11.257 0.951 18.675
915 3HB ALA 114 3HB ALA 114 11.422 1.627 17.055
916 H ASP 115 H ASP 115 11.019 4.488 16.475
917 HA ASP 115 HA ASP 115 13.784 5.299 17.088
918 1HB ASP 115 2HB ASP 115 13.699 3.661 15.223
919 2HB ASP 115 1HB ASP 115 12.649 4.761 14.334
920 H LEU 45 1H LEU 45 -1.726 1.115 -17.023
921 HA LEU 45 HA LEU 45 -2.522 3.721 -18.117
922 1HB LEU 45 2HB LEU 45 -2.924 4.263 -15.670
923 2HB LEU 45 1HB LEU 45 -4.136 3.286 -16.470
924 HG LEU 45 HG LEU 45 -3.567 2.601 -14.123
925 1HD1 LEU 45 1HD1 LEU 45 -2.859 0.246 -15.725
926 2HD1 LEU 45 2HD1 LEU 45 -4.316 1.097 -16.234
927 3HD1 LEU 45 3HD1 LEU 45 -4.178 0.496 -14.583
928 1HD2 LEU 45 1HD2 LEU 45 -1.543 1.596 -13.572
929 2HD2 LEU 45 2HD2 LEU 45 -1.067 3.001 -14.524
930 3HD2 LEU 45 3HD2 LEU 45 -1.069 1.398 -15.259
931 H SER 46 H SER 46 -1.406 5.342 -16.395
932 HA SER 46 HA SER 46 1.384 4.471 -16.059
933 1HB SER 46 2HB SER 46 0.318 6.765 -17.606
934 2HB SER 46 1HB SER 46 1.744 7.083 -16.619
935 HG SER 46 HG SER 46 2.750 6.260 -18.276
936 HA PRO 47 HA PRO 47 1.597 6.157 -12.004
937 1HB PRO 47 2HB PRO 47 3.476 8.257 -12.984
938 2HB PRO 47 1HB PRO 47 3.648 7.143 -11.622
939 1HG PRO 47 2HG PRO 47 4.975 6.714 -13.885
940 2HG PRO 47 1HG PRO 47 4.260 5.363 -12.983
941 1HD PRO 47 2HD PRO 47 3.330 6.673 -15.498
942 2HD PRO 47 1HD PRO 47 3.230 4.970 -15.005
943 H ASP 48 H ASP 48 1.668 8.771 -14.425
944 HA ASP 48 HA ASP 48 0.495 10.734 -12.786
945 1HB ASP 48 2HB ASP 48 1.742 11.187 -14.901
946 2HB ASP 48 1HB ASP 48 0.368 10.554 -15.803
947 H ASP 49 H ASP 49 -0.864 8.218 -14.791
948 HA ASP 49 HA ASP 49 -3.505 9.193 -14.923
949 1HB ASP 49 2HB ASP 49 -2.478 6.350 -15.046
950 2HB ASP 49 1HB ASP 49 -4.115 6.845 -15.462
951 H ILE 50 H ILE 50 -1.852 7.105 -12.608
952 HA ILE 50 HA ILE 50 -4.144 6.479 -11.069
953 HB ILE 50 HB ILE 50 -1.286 6.519 -10.106
954 1HG1 ILE 50 2HG1 ILE 50 -1.407 5.211 -12.151
955 2HG1 ILE 50 1HG1 ILE 50 -1.238 4.128 -10.774
956 1HG2 ILE 50 1HG2 ILE 50 -3.030 6.299 -8.373
957 2HG2 ILE 50 2HG2 ILE 50 -2.019 4.861 -8.510
958 3HG2 ILE 50 3HG2 ILE 50 -3.641 4.868 -9.202
959 1HD1 ILE 50 1HD1 ILE 50 -3.899 4.161 -10.964
960 2HD1 ILE 50 2HD1 ILE 50 -2.882 3.031 -11.858
961 3HD1 ILE 50 3HD1 ILE 50 -3.488 4.486 -12.648
962 H GLU 51 H GLU 51 -2.065 9.223 -11.192
963 HA GLU 51 HA GLU 51 -2.463 10.252 -8.603
964 1HB GLU 51 2HB GLU 51 -1.879 11.665 -11.208
965 2HB GLU 51 1HB GLU 51 -1.840 12.446 -9.635
966 1HG GLU 51 2HG GLU 51 -0.098 10.151 -10.506
967 2HG GLU 51 1HG GLU 51 0.390 11.841 -10.394
968 H GLN 52 H GLN 52 -4.346 10.478 -11.556
969 HA GLN 52 HA GLN 52 -6.093 12.535 -10.843
970 1HB GLN 52 2HB GLN 52 -7.309 11.949 -12.703
971 2HB GLN 52 1HB GLN 52 -5.791 11.145 -13.071
972 1HG GLN 52 2HG GLN 52 -6.716 9.047 -12.179
973 2HG GLN 52 1HG GLN 52 -8.249 9.869 -11.900
974 1HE2 GLN 52 1HE2 GLN 52 -6.185 8.384 -14.202
975 2HE2 GLN 52 2HE2 GLN 52 -7.239 8.516 -15.566
976 H TRP 53 H TRP 53 -6.230 9.077 -10.183
977 HA TRP 53 HA TRP 53 -8.782 8.909 -9.093
978 1HB TRP 53 2HB TRP 53 -6.304 7.343 -8.344
979 2HB TRP 53 1HB TRP 53 -7.952 6.891 -7.921
980 HD1 TRP 53 HD1 TRP 53 -5.857 7.499 -11.136
981 HE1 TRP 53 HE1 TRP 53 -6.717 5.901 -12.954
982 HE3 TRP 53 HE3 TRP 53 -9.722 5.353 -8.566
983 HZ2 TRP 53 HZ2 TRP 53 -8.761 3.975 -13.261
984 HZ3 TRP 53 HZ3 TRP 53 -11.079 3.638 -9.695
985 HH2 TRP 53 HH2 TRP 53 -10.607 2.966 -11.994
986 H PHE 54 H PHE 54 -5.817 10.121 -7.723
987 HA PHE 54 HA PHE 54 -7.166 10.512 -5.139
988 1HB PHE 54 2HB PHE 54 -4.220 10.528 -5.824
989 2HB PHE 54 1HB PHE 54 -4.879 10.867 -4.227
990 HD1 PHE 54 HD1 PHE 54 -5.888 9.088 -2.896
991 HD2 PHE 54 HD2 PHE 54 -4.125 8.295 -6.686
992 HE1 PHE 54 HE1 PHE 54 -5.847 6.686 -2.369
993 HE2 PHE 54 HE2 PHE 54 -4.081 5.890 -6.167
994 HZ PHE 54 HZ PHE 54 -4.943 5.083 -4.005
995 H THR 55 H THR 55 -6.597 12.153 -7.928
996 HA THR 55 HA THR 55 -6.018 14.700 -6.622
997 HB THR 55 HB THR 55 -5.557 13.587 -9.262
998 HG1 THR 55 HG1 THR 55 -3.866 15.107 -9.170
999 1HG2 THR 55 1HG2 THR 55 -7.105 15.065 -10.188
1000 2HG2 THR 55 2HG2 THR 55 -5.556 15.896 -10.326
1001 3HG2 THR 55 3HG2 THR 55 -6.687 16.346 -9.051
1002 H GLU 56 H GLU 56 -8.545 12.969 -8.278
1003 HA GLU 56 HA GLU 56 -10.250 15.086 -8.927
1004 1HB GLU 56 2HB GLU 56 -10.806 12.210 -8.214
1005 2HB GLU 56 1HB GLU 56 -12.078 13.323 -8.698
1006 1HG GLU 56 2HG GLU 56 -10.928 13.688 -10.832
1007 2HG GLU 56 1HG GLU 56 -9.685 12.538 -10.346
1008 H ASP 57 H ASP 57 -11.800 16.205 -7.836
1009 HA ASP 57 HA ASP 57 -12.324 15.539 -5.038
1010 1HB ASP 57 2HB ASP 57 -10.877 17.927 -6.012
1011 2HB ASP 57 1HB ASP 57 -12.138 18.237 -4.822
1012 HA PRO 58 HA PRO 58 -16.456 16.802 -5.887
1013 1HB PRO 58 2HB PRO 58 -17.198 18.174 -3.664
1014 2HB PRO 58 1HB PRO 58 -16.983 16.420 -3.683
1015 1HG PRO 58 2HG PRO 58 -15.104 18.548 -2.732
1016 2HG PRO 58 1HG PRO 58 -15.507 16.994 -1.979
1017 1HD PRO 58 2HD PRO 58 -13.242 17.370 -3.408
1018 2HD PRO 58 1HD PRO 58 -14.093 15.813 -3.366
Start of MODEL 6
1 HT1 PRO 1 HT2 PRO 1 -12.928 -5.506 8.273
2 HT2 PRO 1 HT1 PRO 1 -12.101 -6.624 9.261
3 HA PRO 1 HA PRO 1 -12.953 -4.071 9.844
4 1HB PRO 1 2HB PRO 1 -14.039 -5.790 11.966
5 2HB PRO 1 1HB PRO 1 -14.716 -4.326 11.242
6 1HG PRO 1 2HG PRO 1 -15.697 -6.800 10.716
7 2HG PRO 1 1HG PRO 1 -15.746 -5.477 9.542
8 1HD PRO 1 2HD PRO 1 -13.938 -7.854 9.652
9 2HD PRO 1 1HD PRO 1 -14.601 -7.006 8.242
10 H SER 2 H SER 2 -11.040 -3.451 10.627
11 HA SER 2 HA SER 2 -9.128 -3.361 11.855
12 1HB SER 2 2HB SER 2 -10.904 -3.734 13.690
13 2HB SER 2 1HB SER 2 -10.314 -5.396 13.735
14 HG SER 2 HG SER 2 -9.056 -3.031 14.514
15 H HIS 3 H HIS 3 -7.385 -4.209 10.942
16 HA HIS 3 HA HIS 3 -5.806 -5.686 10.255
17 1HB HIS 3 2HB HIS 3 -7.097 -7.584 12.225
18 2HB HIS 3 1HB HIS 3 -5.471 -7.710 11.559
19 HD1 HIS 3 HD1 HIS 3 -7.485 -5.867 14.097
20 HD2 HIS 3 HD2 HIS 3 -3.586 -5.941 12.664
21 HE1 HIS 3 HE1 HIS 3 -6.145 -4.500 15.726
22 HE2 HIS 3 HE2 HIS 3 -3.803 -4.495 14.799
23 H SER 4 H SER 4 -8.301 -5.506 8.887
24 HA SER 4 HA SER 4 -8.001 -7.477 6.975
25 1HB SER 4 2HB SER 4 -10.033 -8.853 7.296
26 2HB SER 4 1HB SER 4 -8.852 -9.085 8.591
27 HG SER 4 HG SER 4 -10.359 -8.501 9.918
28 H GLY 5 H GLY 5 -9.744 -7.460 5.345
29 1HA GLY 5 2HA GLY 5 -11.989 -5.950 5.269
30 2HA GLY 5 1HA GLY 5 -10.714 -4.764 5.029
31 H ALA 6 H ALA 6 -12.840 -6.738 3.525
32 HA ALA 6 HA ALA 6 -11.604 -7.930 1.418
33 1HB ALA 6 1HB ALA 6 -14.229 -6.485 1.470
34 2HB ALA 6 2HB ALA 6 -13.927 -8.203 1.743
35 3HB ALA 6 3HB ALA 6 -13.695 -7.511 0.135
36 H ALA 7 H ALA 7 -9.938 -7.068 0.377
37 HA ALA 7 HA ALA 7 -10.283 -4.398 -0.842
38 1HB ALA 7 1HB ALA 7 -7.597 -5.613 -0.358
39 2HB ALA 7 2HB ALA 7 -8.462 -4.830 0.966
40 3HB ALA 7 3HB ALA 7 -8.050 -3.913 -0.484
41 H ILE 8 H ILE 8 -9.451 -4.053 -2.957
42 HA ILE 8 HA ILE 8 -9.330 -6.511 -4.548
43 HB ILE 8 HB ILE 8 -10.126 -3.710 -5.180
44 1HG1 ILE 8 2HG1 ILE 8 -11.480 -5.674 -6.704
45 2HG1 ILE 8 1HG1 ILE 8 -11.302 -6.318 -5.075
46 1HG2 ILE 8 1HG2 ILE 8 -9.023 -5.602 -7.240
47 2HG2 ILE 8 2HG2 ILE 8 -8.396 -4.011 -6.813
48 3HG2 ILE 8 3HG2 ILE 8 -9.968 -4.159 -7.599
49 1HD1 ILE 8 1HD1 ILE 8 -12.255 -4.171 -4.237
50 2HD1 ILE 8 2HD1 ILE 8 -13.356 -5.199 -5.152
51 3HD1 ILE 8 3HD1 ILE 8 -12.636 -3.779 -5.913
52 H PHE 9 H PHE 9 -7.489 -7.220 -5.298
53 HA PHE 9 HA PHE 9 -5.199 -5.351 -5.370
54 1HB PHE 9 2HB PHE 9 -5.071 -7.303 -3.764
55 2HB PHE 9 1HB PHE 9 -5.019 -8.355 -5.175
56 HD1 PHE 9 HD1 PHE 9 -2.907 -9.199 -5.469
57 HD2 PHE 9 HD2 PHE 9 -3.361 -5.123 -4.330
58 HE1 PHE 9 HE1 PHE 9 -0.471 -8.892 -5.612
59 HE2 PHE 9 HE2 PHE 9 -0.924 -4.808 -4.471
60 HZ PHE 9 HZ PHE 9 0.524 -6.695 -5.114
61 H GLU 10 H GLU 10 -4.207 -4.969 -7.247
62 HA GLU 10 HA GLU 10 -3.773 -4.984 -9.483
63 1HB GLU 10 2HB GLU 10 -4.169 -7.965 -9.223
64 2HB GLU 10 1HB GLU 10 -3.298 -7.134 -10.505
65 1HG GLU 10 2HG GLU 10 -1.672 -6.331 -8.839
66 2HG GLU 10 1HG GLU 10 -2.522 -7.255 -7.600
67 H LYS 11 H LYS 11 -6.500 -4.583 -8.654
68 HA LYS 11 HA LYS 11 -8.483 -4.202 -9.718
69 1HB LYS 11 2HB LYS 11 -7.480 -5.784 -12.084
70 2HB LYS 11 1HB LYS 11 -8.766 -4.589 -12.052
71 1HG LYS 11 2HG LYS 11 -7.111 -2.839 -11.575
72 2HG LYS 11 1HG LYS 11 -5.829 -4.050 -11.664
73 1HD LYS 11 2HD LYS 11 -5.879 -2.983 -13.777
74 2HD LYS 11 1HD LYS 11 -6.645 -4.557 -14.003
75 1HE LYS 11 2HE LYS 11 -8.400 -2.276 -13.290
76 2HE LYS 11 1HE LYS 11 -7.713 -2.289 -14.913
77 1HZ LYS 11 1HZ LYS 11 -9.706 -4.039 -13.730
78 2HZ LYS 11 2HZ LYS 11 -8.575 -4.792 -14.737
79 3HZ LYS 11 3HZ LYS 11 -9.528 -3.527 -15.333
80 H VAL 12 H VAL 12 -7.262 -7.019 -8.679
81 HA VAL 12 HA VAL 12 -9.619 -8.611 -9.357
82 HB VAL 12 HB VAL 12 -6.926 -9.386 -8.241
83 1HG1 VAL 12 1HG1 VAL 12 -7.829 -11.730 -8.233
84 2HG1 VAL 12 2HG1 VAL 12 -9.443 -11.041 -8.400
85 3HG1 VAL 12 3HG1 VAL 12 -8.477 -10.688 -6.967
86 1HG2 VAL 12 1HG2 VAL 12 -6.939 -9.175 -10.595
87 2HG2 VAL 12 2HG2 VAL 12 -8.487 -10.023 -10.716
88 3HG2 VAL 12 3HG2 VAL 12 -7.033 -10.903 -10.240
89 H SER 13 H SER 13 -10.731 -9.705 -7.679
90 HA SER 13 HA SER 13 -10.815 -8.037 -5.282
91 1HB SER 13 2HB SER 13 -12.991 -9.042 -4.855
92 2HB SER 13 1HB SER 13 -12.899 -8.359 -6.475
93 HG SER 13 HG SER 13 -13.861 -10.481 -6.379
94 H GLY 14 H GLY 14 -10.870 -8.808 -3.215
95 1HA GLY 14 2HA GLY 14 -10.706 -11.436 -2.329
96 2HA GLY 14 1HA GLY 14 -9.054 -10.880 -2.599
97 H ILE 15 H ILE 15 -9.379 -11.429 -0.070
98 HA ILE 15 HA ILE 15 -10.194 -8.916 1.201
99 HB ILE 15 HB ILE 15 -9.906 -11.645 2.464
100 1HG1 ILE 15 2HG1 ILE 15 -12.141 -11.889 2.265
101 2HG1 ILE 15 1HG1 ILE 15 -12.437 -10.255 2.836
102 1HG2 ILE 15 1HG2 ILE 15 -10.612 -8.994 3.728
103 2HG2 ILE 15 2HG2 ILE 15 -9.148 -9.944 4.029
104 3HG2 ILE 15 3HG2 ILE 15 -10.723 -10.560 4.532
105 1HD1 ILE 15 1HD1 ILE 15 -11.929 -11.145 0.014
106 2HD1 ILE 15 2HD1 ILE 15 -11.971 -9.454 0.521
107 3HD1 ILE 15 3HD1 ILE 15 -13.407 -10.461 0.692
108 H ILE 16 H ILE 16 -8.868 -7.806 2.509
109 HA ILE 16 HA ILE 16 -6.043 -8.605 2.397
110 HB ILE 16 HB ILE 16 -7.378 -6.111 1.900
111 1HG1 ILE 16 2HG1 ILE 16 -4.452 -6.869 1.898
112 2HG1 ILE 16 1HG1 ILE 16 -5.566 -7.015 0.542
113 1HG2 ILE 16 1HG2 ILE 16 -7.119 -5.536 4.202
114 2HG2 ILE 16 2HG2 ILE 16 -5.988 -4.594 3.237
115 3HG2 ILE 16 3HG2 ILE 16 -5.412 -5.980 4.168
116 1HD1 ILE 16 1HD1 ILE 16 -5.034 -4.364 1.823
117 2HD1 ILE 16 2HD1 ILE 16 -5.649 -4.719 0.208
118 3HD1 ILE 16 3HD1 ILE 16 -3.957 -5.027 0.593
119 H ALA 17 H ALA 17 -5.271 -9.400 4.230
120 HA ALA 17 HA ALA 17 -6.480 -8.502 6.760
121 1HB ALA 17 1HB ALA 17 -6.315 -10.687 7.646
122 2HB ALA 17 2HB ALA 17 -5.332 -11.239 6.289
123 3HB ALA 17 3HB ALA 17 -7.037 -10.844 6.040
124 H ILE 18 H ILE 18 -5.186 -7.710 8.255
125 HA ILE 18 HA ILE 18 -2.299 -7.752 7.756
126 HB ILE 18 HB ILE 18 -4.011 -5.934 9.452
127 1HG1 ILE 18 2HG1 ILE 18 -2.299 -5.228 7.074
128 2HG1 ILE 18 1HG1 ILE 18 -3.978 -5.727 6.903
129 1HG2 ILE 18 1HG2 ILE 18 -1.113 -6.394 9.461
130 2HG2 ILE 18 2HG2 ILE 18 -2.160 -5.680 10.690
131 3HG2 ILE 18 3HG2 ILE 18 -1.600 -4.703 9.334
132 1HD1 ILE 18 1HD1 ILE 18 -3.100 -3.406 8.594
133 2HD1 ILE 18 2HD1 ILE 18 -4.743 -3.837 8.117
134 3HD1 ILE 18 3HD1 ILE 18 -3.595 -3.266 6.907
135 H ASN 19 H ASN 19 -0.938 -8.798 9.056
136 HA ASN 19 HA ASN 19 -1.987 -9.862 11.597
137 1HB ASN 19 2HB ASN 19 -1.465 -11.544 9.778
138 2HB ASN 19 1HB ASN 19 0.226 -11.084 9.943
139 1HD2 ASN 19 1HD2 ASN 19 0.449 -13.384 10.442
140 2HD2 ASN 19 2HD2 ASN 19 0.213 -13.902 12.073
141 H GLU 20 H GLU 20 -1.185 -8.758 13.250
142 HA GLU 20 HA GLU 20 1.439 -7.518 13.056
143 1HB GLU 20 2HB GLU 20 -0.640 -7.403 15.248
144 2HB GLU 20 1HB GLU 20 0.855 -6.479 15.223
145 1HG GLU 20 2HG GLU 20 0.095 -5.397 13.130
146 2HG GLU 20 1HG GLU 20 -1.438 -6.253 13.288
147 H ASP 21 H ASP 21 0.573 -10.532 13.651
148 HA ASP 21 HA ASP 21 1.949 -11.045 16.124
149 1HB ASP 21 2HB ASP 21 0.043 -12.438 15.300
150 2HB ASP 21 1HB ASP 21 1.075 -13.006 13.992
151 H VAL 22 H VAL 22 2.805 -10.655 12.842
152 HA VAL 22 HA VAL 22 5.340 -12.072 13.213
153 HB VAL 22 HB VAL 22 4.520 -12.763 11.179
154 1HG1 VAL 22 1HG1 VAL 22 3.619 -11.032 9.474
155 2HG1 VAL 22 2HG1 VAL 22 3.436 -9.994 10.888
156 3HG1 VAL 22 3HG1 VAL 22 2.590 -11.540 10.814
157 1HG2 VAL 22 1HG2 VAL 22 6.786 -11.965 10.850
158 2HG2 VAL 22 2HG2 VAL 22 6.179 -10.360 10.439
159 3HG2 VAL 22 3HG2 VAL 22 5.828 -11.731 9.388
160 H SER 23 H SER 23 7.305 -11.049 12.470
161 HA SER 23 HA SER 23 7.269 -8.121 12.709
162 1HB SER 23 2HB SER 23 8.071 -8.598 14.816
163 2HB SER 23 1HB SER 23 8.835 -10.102 14.300
164 HG SER 23 HG SER 23 10.595 -9.040 13.811
165 HA PRO 24 HA PRO 24 7.820 -6.480 11.875
166 1HB PRO 24 2HB PRO 24 7.613 -5.153 9.551
167 2HB PRO 24 1HB PRO 24 9.111 -5.153 10.494
168 1HG PRO 24 2HG PRO 24 8.388 -6.766 8.079
169 2HG PRO 24 1HG PRO 24 9.912 -5.943 8.459
170 1HD PRO 24 2HD PRO 24 9.503 -8.621 8.818
171 2HD PRO 24 1HD PRO 24 10.653 -7.667 9.774
172 H ALA 25 H ALA 25 5.643 -5.992 11.812
173 HA ALA 25 HA ALA 25 3.788 -7.873 11.087
174 1HB ALA 25 1HB ALA 25 3.036 -6.197 12.527
175 2HB ALA 25 2HB ALA 25 2.146 -5.898 11.034
176 3HB ALA 25 3HB ALA 25 3.545 -4.904 11.441
177 H GLU 26 H GLU 26 2.666 -8.426 9.276
178 HA GLU 26 HA GLU 26 3.150 -6.820 6.855
179 1HB GLU 26 2HB GLU 26 3.033 -9.835 6.928
180 2HB GLU 26 1HB GLU 26 3.418 -8.820 5.544
181 1HG GLU 26 2HG GLU 26 5.434 -8.030 6.774
182 2HG GLU 26 1HG GLU 26 5.072 -9.219 8.024
183 H LEU 27 H LEU 27 1.619 -7.363 5.075
184 HA LEU 27 HA LEU 27 -1.067 -7.959 6.123
185 1HB LEU 27 2HB LEU 27 -0.987 -5.619 5.668
186 2HB LEU 27 1HB LEU 27 -0.179 -5.877 4.135
187 HG LEU 27 HG LEU 27 -2.916 -7.006 4.514
188 1HD1 LEU 27 1HD1 LEU 27 -3.664 -4.965 5.093
189 2HD1 LEU 27 2HD1 LEU 27 -3.475 -4.626 3.372
190 3HD1 LEU 27 3HD1 LEU 27 -2.213 -4.148 4.509
191 1HD2 LEU 27 1HD2 LEU 27 -2.724 -5.897 2.026
192 2HD2 LEU 27 2HD2 LEU 27 -2.369 -7.579 2.418
193 3HD2 LEU 27 3HD2 LEU 27 -1.061 -6.399 2.333
194 H THR 28 H THR 28 -2.211 -9.480 5.037
195 HA THR 28 HA THR 28 -1.053 -10.456 2.510
196 HB THR 28 HB THR 28 -2.481 -12.075 4.623
197 HG1 THR 28 HG1 THR 28 -0.597 -12.200 5.497
198 1HG2 THR 28 1HG2 THR 28 -2.695 -12.942 2.292
199 2HG2 THR 28 2HG2 THR 28 -1.871 -14.022 3.417
200 3HG2 THR 28 3HG2 THR 28 -0.938 -13.083 2.251
201 H TRP 29 H TRP 29 -2.304 -10.435 0.792
202 HA TRP 29 HA TRP 29 -5.161 -9.921 1.089
203 1HB TRP 29 2HB TRP 29 -3.960 -8.325 -0.301
204 2HB TRP 29 1HB TRP 29 -3.288 -9.630 -1.273
205 HD1 TRP 29 HD1 TRP 29 -6.747 -8.168 -0.413
206 HE1 TRP 29 HE1 TRP 29 -8.269 -8.404 -2.481
207 HE3 TRP 29 HE3 TRP 29 -3.539 -10.702 -3.461
208 HZ2 TRP 29 HZ2 TRP 29 -8.114 -9.538 -5.069
209 HZ3 TRP 29 HZ3 TRP 29 -4.300 -11.335 -5.715
210 HH2 TRP 29 HH2 TRP 29 -6.537 -10.766 -6.498
211 H ARG 30 H ARG 30 -6.620 -11.441 0.549
212 HA ARG 30 HA ARG 30 -5.670 -13.774 -0.982
213 1HB ARG 30 2HB ARG 30 -5.979 -14.244 1.461
214 2HB ARG 30 1HB ARG 30 -7.687 -13.870 1.265
215 1HG ARG 30 2HG ARG 30 -7.743 -16.140 1.069
216 2HG ARG 30 1HG ARG 30 -7.529 -15.693 -0.624
217 1HD ARG 30 2HD ARG 30 -5.078 -15.986 -0.331
218 2HD ARG 30 1HD ARG 30 -5.383 -16.571 1.302
219 HE ARG 30 HE ARG 30 -6.110 -18.569 0.430
220 1HH1 ARG 30 1HH1 ARG 30 -5.790 -16.232 -2.143
221 2HH1 ARG 30 2HH1 ARG 30 -5.984 -17.406 -3.400
222 1HH2 ARG 30 1HH2 ARG 30 -6.366 -20.112 -1.223
223 2HH2 ARG 30 2HH2 ARG 30 -6.311 -19.609 -2.878
224 H SER 31 H SER 31 -6.651 -13.845 -2.877
225 HA SER 31 HA SER 31 -8.734 -12.340 -3.785
226 1HB SER 31 2HB SER 31 -8.958 -13.883 -5.612
227 2HB SER 31 1HB SER 31 -7.254 -13.841 -5.157
228 HG SER 31 HG SER 31 -7.617 -15.770 -3.968
229 H THR 32 H THR 32 -10.956 -13.060 -4.456
230 HA THR 32 HA THR 32 -12.387 -13.950 -2.153
231 HB THR 32 HB THR 32 -14.028 -13.917 -4.506
232 HG1 THR 32 HG1 THR 32 -12.391 -11.625 -4.181
233 1HG2 THR 32 1HG2 THR 32 -15.151 -12.085 -3.439
234 2HG2 THR 32 2HG2 THR 32 -13.797 -11.857 -2.330
235 3HG2 THR 32 3HG2 THR 32 -14.776 -13.322 -2.238
236 H ASP 33 H ASP 33 -11.650 -15.211 -5.319
237 HA ASP 33 HA ASP 33 -13.058 -17.655 -4.914
238 1HB ASP 33 2HB ASP 33 -11.132 -16.789 -7.068
239 2HB ASP 33 1HB ASP 33 -11.983 -18.330 -7.075
240 H GLY 34 H GLY 34 -9.900 -16.485 -4.262
241 1HA GLY 34 2HA GLY 34 -8.330 -17.522 -2.868
242 2HA GLY 34 1HA GLY 34 -9.190 -19.042 -3.069
243 H ASP 35 H ASP 35 -8.159 -16.984 -5.721
244 HA ASP 35 HA ASP 35 -6.311 -19.119 -6.547
245 1HB ASP 35 2HB ASP 35 -8.242 -18.742 -8.055
246 2HB ASP 35 1HB ASP 35 -7.707 -17.081 -8.290
247 H LYS 36 H LYS 36 -6.523 -15.821 -5.644
248 HA LYS 36 HA LYS 36 -3.706 -15.453 -6.419
249 1HB LYS 36 2HB LYS 36 -5.670 -13.176 -6.333
250 2HB LYS 36 1HB LYS 36 -4.073 -13.214 -7.064
251 1HG LYS 36 2HG LYS 36 -5.483 -15.207 -8.385
252 2HG LYS 36 1HG LYS 36 -6.643 -13.891 -8.196
253 1HD LYS 36 2HD LYS 36 -3.903 -13.724 -9.450
254 2HD LYS 36 1HD LYS 36 -5.456 -13.625 -10.282
255 1HE LYS 36 2HE LYS 36 -5.917 -11.614 -8.753
256 2HE LYS 36 1HE LYS 36 -4.185 -11.637 -8.429
257 1HZ LYS 36 1HZ LYS 36 -4.938 -10.136 -10.275
258 2HZ LYS 36 2HZ LYS 36 -5.301 -11.524 -11.172
259 3HZ LYS 36 3HZ LYS 36 -3.709 -11.225 -10.686
260 H VAL 37 H VAL 37 -2.369 -14.718 -4.872
261 HA VAL 37 HA VAL 37 -3.510 -13.530 -2.452
262 HB VAL 37 HB VAL 37 -3.213 -15.966 -2.037
263 1HG1 VAL 37 1HG1 VAL 37 -1.240 -16.278 -3.491
264 2HG1 VAL 37 2HG1 VAL 37 -1.001 -16.917 -1.865
265 3HG1 VAL 37 3HG1 VAL 37 -0.269 -15.380 -2.324
266 1HG2 VAL 37 1HG2 VAL 37 -1.696 -15.599 0.028
267 2HG2 VAL 37 2HG2 VAL 37 -3.213 -14.705 -0.091
268 3HG2 VAL 37 3HG2 VAL 37 -1.686 -13.912 -0.486
269 H HIS 38 H HIS 38 -2.213 -12.030 -1.445
270 HA HIS 38 HA HIS 38 0.499 -11.640 -2.489
271 1HB HIS 38 2HB HIS 38 -1.126 -10.142 -3.697
272 2HB HIS 38 1HB HIS 38 -1.437 -9.356 -2.154
273 HD1 HIS 38 HD1 HIS 38 1.650 -10.176 -4.236
274 HD2 HIS 38 HD2 HIS 38 0.096 -7.167 -1.828
275 HE1 HIS 38 HE1 HIS 38 3.351 -8.325 -4.290
276 HE2 HIS 38 HE2 HIS 38 2.347 -6.480 -2.899
277 H THR 39 H THR 39 1.936 -10.676 -1.099
278 HA THR 39 HA THR 39 0.976 -10.155 1.635
279 HB THR 39 HB THR 39 3.537 -11.587 0.912
280 HG1 THR 39 HG1 THR 39 1.094 -12.566 1.962
281 1HG2 THR 39 1HG2 THR 39 2.287 -10.930 3.558
282 2HG2 THR 39 2HG2 THR 39 3.896 -10.508 2.974
283 3HG2 THR 39 3HG2 THR 39 3.506 -12.187 3.350
284 H VAL 40 H VAL 40 1.751 -8.357 2.605
285 HA VAL 40 HA VAL 40 3.988 -6.946 1.311
286 HB VAL 40 HB VAL 40 1.439 -5.669 2.308
287 1HG1 VAL 40 1HG1 VAL 40 2.828 -3.703 1.023
288 2HG1 VAL 40 2HG1 VAL 40 4.126 -4.593 1.825
289 3HG1 VAL 40 3HG1 VAL 40 2.790 -3.934 2.773
290 1HG2 VAL 40 1HG2 VAL 40 1.327 -6.780 0.073
291 2HG2 VAL 40 2HG2 VAL 40 2.590 -5.679 -0.478
292 3HG2 VAL 40 3HG2 VAL 40 1.026 -5.040 0.038
293 H VAL 41 H VAL 41 5.401 -5.924 2.630
294 HA VAL 41 HA VAL 41 5.232 -6.544 5.465
295 HB VAL 41 HB VAL 41 7.385 -6.942 4.620
296 1HG1 VAL 41 1HG1 VAL 41 8.624 -4.985 3.433
297 2HG1 VAL 41 2HG1 VAL 41 6.979 -4.453 3.068
298 3HG1 VAL 41 3HG1 VAL 41 7.531 -6.040 2.541
299 1HG2 VAL 41 1HG2 VAL 41 8.347 -4.392 5.518
300 2HG2 VAL 41 2HG2 VAL 41 8.470 -5.972 6.287
301 3HG2 VAL 41 3HG2 VAL 41 7.048 -4.970 6.560
302 H LEU 42 H LEU 42 4.283 -5.179 6.821
303 HA LEU 42 HA LEU 42 3.458 -2.589 6.029
304 1HB LEU 42 2HB LEU 42 3.482 -3.811 8.785
305 2HB LEU 42 1HB LEU 42 2.589 -2.380 8.305
306 HG LEU 42 HG LEU 42 2.115 -5.205 7.357
307 1HD1 LEU 42 1HD1 LEU 42 1.256 -3.966 9.646
308 2HD1 LEU 42 2HD1 LEU 42 0.468 -5.332 8.856
309 3HD1 LEU 42 3HD1 LEU 42 -0.080 -3.688 8.529
310 1HD2 LEU 42 1HD2 LEU 42 0.037 -3.927 6.352
311 2HD2 LEU 42 2HD2 LEU 42 1.549 -4.067 5.456
312 3HD2 LEU 42 3HD2 LEU 42 1.174 -2.579 6.325
313 H SER 43 H SER 43 6.194 -3.765 7.872
314 HA SER 43 HA SER 43 6.966 -1.488 9.225
315 1HB SER 43 2HB SER 43 8.274 -3.304 9.769
316 2HB SER 43 1HB SER 43 8.455 -3.814 8.091
317 HG SER 43 HG SER 43 10.000 -2.121 9.590
318 H THR 44 H THR 44 7.034 -2.082 5.834
319 HA THR 44 HA THR 44 8.896 0.070 5.287
320 HB THR 44 HB THR 44 9.035 -0.728 3.163
321 HG1 THR 44 HG1 THR 44 7.307 -1.270 1.931
322 1HG2 THR 44 1HG2 THR 44 8.694 -3.083 2.944
323 2HG2 THR 44 2HG2 THR 44 7.576 -3.094 4.308
324 3HG2 THR 44 3HG2 THR 44 9.284 -2.742 4.570
325 H ILE 45 H ILE 45 5.486 -0.411 5.478
326 HA ILE 45 HA ILE 45 4.471 1.556 3.865
327 HB ILE 45 HB ILE 45 3.506 0.737 6.605
328 1HG1 ILE 45 2HG1 ILE 45 3.567 -1.069 4.964
329 2HG1 ILE 45 1HG1 ILE 45 1.901 -0.621 5.315
330 1HG2 ILE 45 1HG2 ILE 45 2.549 2.882 6.142
331 2HG2 ILE 45 2HG2 ILE 45 1.310 1.661 5.849
332 3HG2 ILE 45 3HG2 ILE 45 2.153 2.406 4.491
333 1HD1 ILE 45 1HD1 ILE 45 3.513 0.075 2.876
334 2HD1 ILE 45 2HD1 ILE 45 1.929 0.765 3.242
335 3HD1 ILE 45 3HD1 ILE 45 2.095 -0.971 2.974
336 H ASP 46 H ASP 46 5.533 3.451 3.685
337 HA ASP 46 HA ASP 46 6.206 4.966 6.082
338 1HB ASP 46 2HB ASP 46 7.861 4.711 4.232
339 2HB ASP 46 1HB ASP 46 6.782 5.633 3.190
340 H LYS 47 H LYS 47 3.784 4.884 3.604
341 HA LYS 47 HA LYS 47 2.437 7.105 4.867
342 1HB LYS 47 2HB LYS 47 3.305 7.295 1.977
343 2HB LYS 47 1HB LYS 47 2.164 8.383 2.753
344 1HG LYS 47 2HG LYS 47 3.945 9.022 4.357
345 2HG LYS 47 1HG LYS 47 5.074 8.027 3.434
346 1HD LYS 47 2HD LYS 47 4.565 9.395 1.430
347 2HD LYS 47 1HD LYS 47 3.551 10.432 2.434
348 1HE LYS 47 2HE LYS 47 6.526 10.015 2.604
349 2HE LYS 47 1HE LYS 47 5.658 11.507 2.249
350 1HZ LYS 47 1HZ LYS 47 6.167 11.811 4.439
351 2HZ LYS 47 2HZ LYS 47 6.071 10.167 4.824
352 3HZ LYS 47 3HZ LYS 47 4.657 11.067 4.604
353 H LEU 48 H LEU 48 0.270 6.986 4.677
354 HA LEU 48 HA LEU 48 -0.792 4.825 2.985
355 1HB LEU 48 2HB LEU 48 -1.751 5.988 5.592
356 2HB LEU 48 1HB LEU 48 -2.779 4.988 4.582
357 HG LEU 48 HG LEU 48 -0.160 4.122 5.807
358 1HD1 LEU 48 1HD1 LEU 48 -2.836 3.000 6.504
359 2HD1 LEU 48 2HD1 LEU 48 -2.288 4.495 7.262
360 3HD1 LEU 48 3HD1 LEU 48 -1.344 3.017 7.444
361 1HD2 LEU 48 1HD2 LEU 48 -1.399 1.853 5.073
362 2HD2 LEU 48 2HD2 LEU 48 -0.230 2.698 4.057
363 3HD2 LEU 48 3HD2 LEU 48 -1.959 2.932 3.794
364 H GLN 49 H GLN 49 -2.021 5.378 1.325
365 HA GLN 49 HA GLN 49 -3.156 8.093 1.267
366 1HB GLN 49 2HB GLN 49 -1.457 7.007 -0.536
367 2HB GLN 49 1HB GLN 49 -2.996 6.533 -1.242
368 1HG GLN 49 2HG GLN 49 -2.551 8.554 -2.263
369 2HG GLN 49 1HG GLN 49 -3.645 9.004 -0.956
370 1HE2 GLN 49 1HE2 GLN 49 -3.057 10.689 0.196
371 2HE2 GLN 49 2HE2 GLN 49 -1.444 11.275 0.400
372 H ALA 50 H ALA 50 -5.301 8.346 1.153
373 HA ALA 50 HA ALA 50 -6.966 6.102 0.283
374 1HB ALA 50 1HB ALA 50 -7.969 5.730 2.244
375 2HB ALA 50 2HB ALA 50 -8.050 7.446 2.640
376 3HB ALA 50 3HB ALA 50 -6.570 6.538 2.951
377 H THR 51 H THR 51 -8.839 6.682 -0.707
378 HA THR 51 HA THR 51 -9.061 9.402 -1.584
379 HB THR 51 HB THR 51 -10.971 8.608 -2.895
380 HG1 THR 51 HG1 THR 51 -12.062 6.963 -2.237
381 1HG2 THR 51 1HG2 THR 51 -8.379 7.314 -2.996
382 2HG2 THR 51 2HG2 THR 51 -9.391 7.939 -4.300
383 3HG2 THR 51 3HG2 THR 51 -9.668 6.316 -3.667
384 HA PRO 52 HA PRO 52 -11.557 10.757 1.872
385 1HB PRO 52 2HB PRO 52 -12.420 13.096 0.705
386 2HB PRO 52 1HB PRO 52 -10.864 12.902 1.519
387 1HG PRO 52 2HG PRO 52 -11.503 12.804 -1.402
388 2HG PRO 52 1HG PRO 52 -10.126 13.561 -0.579
389 1HD PRO 52 2HD PRO 52 -9.888 11.199 -1.829
390 2HD PRO 52 1HD PRO 52 -9.008 11.546 -0.326
391 H ALA 53 H ALA 53 -13.781 11.209 2.351
392 HA ALA 53 HA ALA 53 -15.604 9.591 0.970
393 1HB ALA 53 1HB ALA 53 -16.730 11.797 2.570
394 2HB ALA 53 2HB ALA 53 -15.590 10.740 3.402
395 3HB ALA 53 3HB ALA 53 -17.035 10.064 2.651
396 H SER 54 H SER 54 -15.100 13.101 0.895
397 HA SER 54 HA SER 54 -17.266 13.752 -0.756
398 1HB SER 54 2HB SER 54 -16.134 15.852 -1.168
399 2HB SER 54 1HB SER 54 -15.884 15.400 0.519
400 HG SER 54 HG SER 54 -13.812 14.994 0.125
401 H SER 55 H SER 55 -14.183 12.371 -1.456
402 HA SER 55 HA SER 55 -14.299 12.861 -4.281
403 1HB SER 55 2HB SER 55 -12.114 12.756 -3.297
404 2HB SER 55 1HB SER 55 -12.459 11.184 -2.574
405 HG SER 55 HG SER 55 -12.286 11.749 -5.351
406 H GLU 56 H GLU 56 -15.480 11.740 -5.655
407 HA GLU 56 HA GLU 56 -17.028 9.522 -5.001
408 1HB GLU 56 2HB GLU 56 -17.396 11.004 -6.968
409 2HB GLU 56 1HB GLU 56 -16.002 10.265 -7.745
410 1HG GLU 56 2HG GLU 56 -17.940 9.244 -8.644
411 2HG GLU 56 1HG GLU 56 -17.174 8.067 -7.579
412 H LYS 57 H LYS 57 -13.694 9.748 -5.700
413 HA LYS 57 HA LYS 57 -13.171 7.224 -6.802
414 1HB LYS 57 2HB LYS 57 -11.416 8.861 -4.962
415 2HB LYS 57 1HB LYS 57 -10.876 7.544 -5.995
416 1HG LYS 57 2HG LYS 57 -12.100 10.117 -6.969
417 2HG LYS 57 1HG LYS 57 -10.373 9.757 -6.931
418 1HD LYS 57 2HD LYS 57 -10.869 7.760 -8.384
419 2HD LYS 57 1HD LYS 57 -12.507 8.393 -8.562
420 1HE LYS 57 2HE LYS 57 -11.195 10.591 -9.226
421 2HE LYS 57 1HE LYS 57 -9.936 9.427 -9.640
422 1HZ LYS 57 1HZ LYS 57 -12.609 9.765 -10.822
423 2HZ LYS 57 2HZ LYS 57 -11.854 8.253 -10.888
424 3HZ LYS 57 3HZ LYS 57 -11.112 9.600 -11.592
425 H MET 58 H MET 58 -12.405 5.299 -5.847
426 HA MET 58 HA MET 58 -12.810 4.960 -2.971
427 1HB MET 58 2HB MET 58 -14.231 3.390 -5.119
428 2HB MET 58 1HB MET 58 -14.073 2.818 -3.465
429 1HG MET 58 2HG MET 58 -15.163 5.006 -2.770
430 2HG MET 58 1HG MET 58 -15.568 5.213 -4.474
431 1HE MET 58 1HE MET 58 -16.890 2.176 -1.468
432 2HE MET 58 2HE MET 58 -15.235 2.592 -1.916
433 3HE MET 58 3HE MET 58 -16.083 1.298 -2.767
434 H MET 59 H MET 59 -10.560 4.688 -2.801
435 HA MET 59 HA MET 59 -9.626 2.041 -3.133
436 1HB MET 59 2HB MET 59 -9.400 2.502 -5.447
437 2HB MET 59 1HB MET 59 -8.718 4.090 -5.143
438 1HG MET 59 2HG MET 59 -7.161 1.892 -4.011
439 2HG MET 59 1HG MET 59 -7.302 1.847 -5.768
440 1HE MET 59 1HE MET 59 -7.391 4.169 -6.966
441 2HE MET 59 2HE MET 59 -5.921 5.143 -6.952
442 3HE MET 59 3HE MET 59 -7.286 5.590 -5.926
443 H LEU 60 H LEU 60 -7.681 1.662 -2.092
444 HA LEU 60 HA LEU 60 -6.559 3.955 -0.611
445 1HB LEU 60 2HB LEU 60 -7.792 1.892 0.525
446 2HB LEU 60 1HB LEU 60 -6.216 1.149 0.332
447 HG LEU 60 HG LEU 60 -5.593 3.576 1.473
448 1HD1 LEU 60 1HD1 LEU 60 -8.196 3.655 1.799
449 2HD1 LEU 60 2HD1 LEU 60 -7.104 4.176 3.080
450 3HD1 LEU 60 3HD1 LEU 60 -7.840 2.576 3.147
451 1HD2 LEU 60 1HD2 LEU 60 -4.424 1.896 2.414
452 2HD2 LEU 60 2HD2 LEU 60 -5.773 0.765 2.321
453 3HD2 LEU 60 3HD2 LEU 60 -5.705 1.950 3.626
454 H ARG 61 H ARG 61 -4.392 4.320 -0.756
455 HA ARG 61 HA ARG 61 -2.798 2.322 -2.229
456 1HB ARG 61 2HB ARG 61 -3.410 4.692 -3.259
457 2HB ARG 61 1HB ARG 61 -2.025 5.195 -2.299
458 1HG ARG 61 2HG ARG 61 -0.578 3.704 -3.463
459 2HG ARG 61 1HG ARG 61 -1.939 2.944 -4.289
460 1HD ARG 61 2HD ARG 61 -1.509 4.362 -5.960
461 2HD ARG 61 1HD ARG 61 -2.245 5.593 -4.936
462 HE ARG 61 HE ARG 61 0.572 5.253 -5.518
463 1HH1 ARG 61 1HH1 ARG 61 -1.820 6.770 -3.473
464 2HH1 ARG 61 2HH1 ARG 61 -0.755 8.028 -2.953
465 1HH2 ARG 61 1HH2 ARG 61 1.970 6.910 -4.831
466 2HH2 ARG 61 2HH2 ARG 61 1.396 8.109 -3.723
467 H LEU 62 H LEU 62 -1.127 1.504 -1.182
468 HA LEU 62 HA LEU 62 -0.200 2.766 1.295
469 1HB LEU 62 2HB LEU 62 0.200 0.037 0.081
470 2HB LEU 62 1HB LEU 62 1.102 0.577 1.480
471 HG LEU 62 HG LEU 62 -0.699 0.400 2.891
472 1HD1 LEU 62 1HD1 LEU 62 -3.061 0.456 2.157
473 2HD1 LEU 62 2HD1 LEU 62 -2.514 0.755 0.508
474 3HD1 LEU 62 3HD1 LEU 62 -2.183 1.937 1.774
475 1HD2 LEU 62 1HD2 LEU 62 -1.126 -1.588 0.680
476 2HD2 LEU 62 2HD2 LEU 62 -2.040 -1.632 2.188
477 3HD2 LEU 62 3HD2 LEU 62 -0.287 -1.818 2.214
478 H ILE 63 H ILE 63 1.915 3.370 1.644
479 HA ILE 63 HA ILE 63 3.631 3.450 -0.755
480 HB ILE 63 HB ILE 63 3.727 5.440 1.503
481 1HG1 ILE 63 2HG1 ILE 63 1.573 5.209 -0.162
482 2HG1 ILE 63 1HG1 ILE 63 2.096 6.714 0.579
483 1HG2 ILE 63 1HG2 ILE 63 5.021 5.192 -1.180
484 2HG2 ILE 63 2HG2 ILE 63 5.752 5.531 0.390
485 3HG2 ILE 63 3HG2 ILE 63 4.813 6.777 -0.431
486 1HD1 ILE 63 1HD1 ILE 63 3.060 7.485 -1.380
487 2HD1 ILE 63 2HD1 ILE 63 1.591 6.677 -1.931
488 3HD1 ILE 63 3HD1 ILE 63 3.152 5.870 -2.084
489 H GLY 64 H GLY 64 5.492 2.378 -0.592
490 1HA GLY 64 2HA GLY 64 6.332 1.415 2.035
491 2HA GLY 64 1HA GLY 64 6.938 0.857 0.482
492 H LYS 65 H LYS 65 8.495 1.593 2.792
493 HA LYS 65 HA LYS 65 9.600 4.184 2.483
494 1HB LYS 65 2HB LYS 65 10.417 1.696 3.932
495 2HB LYS 65 1HB LYS 65 11.575 3.010 3.765
496 1HG LYS 65 2HG LYS 65 9.966 4.535 4.831
497 2HG LYS 65 1HG LYS 65 8.856 3.180 5.048
498 1HD LYS 65 2HD LYS 65 10.571 2.032 6.399
499 2HD LYS 65 1HD LYS 65 11.620 3.441 6.228
500 1HE LYS 65 2HE LYS 65 10.459 4.648 7.737
501 2HE LYS 65 1HE LYS 65 8.904 4.010 7.202
502 1HZ LYS 65 1HZ LYS 65 9.884 1.850 8.341
503 2HZ LYS 65 2HZ LYS 65 9.033 3.018 9.219
504 3HZ LYS 65 3HZ LYS 65 10.724 3.003 9.251
505 H VAL 66 H VAL 66 11.732 4.735 1.729
506 HA VAL 66 HA VAL 66 12.705 2.936 -0.392
507 HB VAL 66 HB VAL 66 11.525 5.183 -1.028
508 1HG1 VAL 66 1HG1 VAL 66 13.330 6.338 0.552
509 2HG1 VAL 66 2HG1 VAL 66 12.627 7.145 -0.849
510 3HG1 VAL 66 3HG1 VAL 66 14.215 6.389 -0.973
511 1HG2 VAL 66 1HG2 VAL 66 13.933 5.165 -2.603
512 2HG2 VAL 66 2HG2 VAL 66 12.295 4.689 -3.047
513 3HG2 VAL 66 3HG2 VAL 66 13.372 3.525 -2.277
514 H ASP 67 H ASP 67 14.947 4.471 -1.077
515 HA ASP 67 HA ASP 67 16.593 5.220 1.054
516 1HB ASP 67 2HB ASP 67 16.327 2.735 1.543
517 2HB ASP 67 1HB ASP 67 17.238 2.440 0.066
518 H GLU 68 H GLU 68 16.608 6.714 -0.853
519 HA GLU 68 HA GLU 68 17.756 6.116 -3.301
520 1HB GLU 68 2HB GLU 68 18.022 8.723 -1.800
521 2HB GLU 68 1HB GLU 68 18.186 8.497 -3.536
522 1HG GLU 68 2HG GLU 68 15.821 7.778 -3.622
523 2HG GLU 68 1HG GLU 68 15.683 8.141 -1.902
524 H SER 69 H SER 69 19.254 6.435 -0.225
525 HA SER 69 HA SER 69 21.870 7.086 -1.021
526 1HB SER 69 2HB SER 69 20.991 5.434 1.359
527 2HB SER 69 1HB SER 69 22.560 6.215 1.164
528 HG SER 69 HG SER 69 20.114 7.641 1.118
529 H LYS 70 H LYS 70 20.041 4.259 -1.519
530 HA LYS 70 HA LYS 70 22.095 2.314 -1.453
531 1HB LYS 70 2HB LYS 70 19.476 2.373 -2.959
532 2HB LYS 70 1HB LYS 70 20.520 0.963 -2.847
533 1HG LYS 70 2HG LYS 70 19.286 2.361 -0.483
534 2HG LYS 70 1HG LYS 70 18.620 0.926 -1.265
535 1HD LYS 70 2HD LYS 70 20.781 -0.238 -0.790
536 2HD LYS 70 1HD LYS 70 21.274 1.174 0.147
537 1HE LYS 70 2HE LYS 70 19.970 0.624 1.888
538 2HE LYS 70 1HE LYS 70 18.632 0.125 0.852
539 1HZ LYS 70 1HZ LYS 70 19.314 -2.006 0.851
540 2HZ LYS 70 2HZ LYS 70 20.067 -1.571 2.301
541 3HZ LYS 70 3HZ LYS 70 20.961 -1.616 0.865
542 H LYS 71 H LYS 71 20.766 4.306 -4.069
543 HA LYS 71 HA LYS 71 21.557 4.836 -6.134
544 1HB LYS 71 2HB LYS 71 24.087 4.157 -4.673
545 2HB LYS 71 1HB LYS 71 24.132 4.531 -6.391
546 1HG LYS 71 2HG LYS 71 24.544 6.587 -5.473
547 2HG LYS 71 1HG LYS 71 22.792 6.651 -5.673
548 1HD LYS 71 2HD LYS 71 22.490 6.024 -3.337
549 2HD LYS 71 1HD LYS 71 24.238 5.908 -3.130
550 1HE LYS 71 2HE LYS 71 24.018 8.411 -4.126
551 2HE LYS 71 1HE LYS 71 22.491 8.277 -3.252
552 1HZ LYS 71 1HZ LYS 71 24.750 9.045 -2.109
553 2HZ LYS 71 2HZ LYS 71 24.872 7.380 -1.840
554 3HZ LYS 71 3HZ LYS 71 23.529 8.232 -1.267
555 H ARG 72 H ARG 72 20.464 3.286 -7.307
556 HA ARG 72 HA ARG 72 21.863 0.751 -7.801
557 1HB ARG 72 2HB ARG 72 19.815 -0.235 -8.314
558 2HB ARG 72 1HB ARG 72 19.409 0.859 -7.001
559 1HG ARG 72 2HG ARG 72 17.703 1.294 -8.449
560 2HG ARG 72 1HG ARG 72 18.872 2.511 -8.969
561 1HD ARG 72 2HD ARG 72 18.662 1.661 -11.018
562 2HD ARG 72 1HD ARG 72 19.564 0.266 -10.425
563 HE ARG 72 HE ARG 72 16.786 0.030 -9.857
564 1HH1 ARG 72 1HH1 ARG 72 19.131 -0.290 -12.421
565 2HH1 ARG 72 2HH1 ARG 72 18.190 -1.442 -13.308
566 1HH2 ARG 72 1HH2 ARG 72 15.547 -1.485 -11.021
567 2HH2 ARG 72 2HH2 ARG 72 16.155 -2.119 -12.514
568 H LYS 73 H LYS 73 22.536 0.165 -9.801
569 HA LYS 73 HA LYS 73 22.695 2.260 -11.785
570 1HB LYS 73 2HB LYS 73 23.770 -0.564 -11.853
571 2HB LYS 73 1HB LYS 73 24.165 0.717 -12.992
572 1HG LYS 73 2HG LYS 73 24.675 1.655 -10.351
573 2HG LYS 73 1HG LYS 73 25.441 0.080 -10.557
574 1HD LYS 73 2HD LYS 73 26.224 1.118 -12.841
575 2HD LYS 73 1HD LYS 73 25.938 2.643 -12.000
576 1HE LYS 73 2HE LYS 73 28.266 1.915 -11.785
577 2HE LYS 73 1HE LYS 73 27.453 1.968 -10.222
578 1HZ LYS 73 1HZ LYS 73 28.887 -0.053 -10.753
579 2HZ LYS 73 2HZ LYS 73 27.628 -0.540 -11.771
580 3HZ LYS 73 3HZ LYS 73 27.346 -0.338 -10.116
581 H ASP 74 H ASP 74 21.873 2.201 -13.860
582 HA ASP 74 HA ASP 74 19.485 0.580 -14.177
583 1HB ASP 74 2HB ASP 74 20.548 3.066 -15.373
584 2HB ASP 74 1HB ASP 74 19.588 2.053 -16.445
585 H ASN 75 H ASN 75 19.094 -0.078 -16.610
586 HA ASN 75 HA ASN 75 20.916 -2.169 -17.164
587 1HB ASN 75 2HB ASN 75 18.438 -2.106 -17.715
588 2HB ASN 75 1HB ASN 75 18.858 -1.077 -19.080
589 1HD2 ASN 75 1HD2 ASN 75 19.065 -2.105 -20.918
590 2HD2 ASN 75 2HD2 ASN 75 19.567 -3.746 -21.123
591 H GLU 76 H GLU 76 20.950 1.134 -17.999
592 HA GLU 76 HA GLU 76 22.529 0.755 -20.408
593 1HB GLU 76 2HB GLU 76 20.783 2.696 -19.686
594 2HB GLU 76 1HB GLU 76 22.301 3.454 -19.227
595 1HG GLU 76 2HG GLU 76 21.955 2.238 -21.936
596 2HG GLU 76 1HG GLU 76 21.361 3.861 -21.586
597 H GLY 77 H GLY 77 23.134 0.788 -17.117
598 1HA GLY 77 2HA GLY 77 25.281 0.439 -16.203
599 2HA GLY 77 1HA GLY 77 25.982 1.208 -17.619
600 H ASN 78 H ASN 78 23.374 2.994 -16.453
601 HA ASN 78 HA ASN 78 25.228 4.882 -15.179
602 1HB ASN 78 2HB ASN 78 22.449 5.349 -16.283
603 2HB ASN 78 1HB ASN 78 23.501 6.584 -15.597
604 1HD2 ASN 78 1HD2 ASN 78 22.441 5.262 -18.397
605 2HD2 ASN 78 2HD2 ASN 78 23.737 5.716 -19.445
606 H GLU 79 H GLU 79 24.793 5.777 -13.166
607 HA GLU 79 HA GLU 79 23.273 4.098 -11.396
608 1HB GLU 79 2HB GLU 79 24.775 6.671 -10.879
609 2HB GLU 79 1HB GLU 79 24.074 5.648 -9.632
610 1HG GLU 79 2HG GLU 79 25.547 3.811 -10.349
611 2HG GLU 79 1HG GLU 79 26.281 4.890 -11.534
612 H VAL 80 H VAL 80 21.397 4.553 -10.332
613 HA VAL 80 HA VAL 80 20.091 7.133 -10.825
614 HB VAL 80 HB VAL 80 18.144 6.289 -11.732
615 1HG1 VAL 80 1HG1 VAL 80 20.153 5.984 -13.232
616 2HG1 VAL 80 2HG1 VAL 80 18.722 5.041 -13.649
617 3HG1 VAL 80 3HG1 VAL 80 20.081 4.269 -12.829
618 1HG2 VAL 80 1HG2 VAL 80 17.577 4.609 -10.133
619 2HG2 VAL 80 2HG2 VAL 80 18.927 3.591 -10.640
620 3HG2 VAL 80 3HG2 VAL 80 17.560 3.842 -11.724
621 H VAL 81 H VAL 81 18.457 7.652 -9.397
622 HA VAL 81 HA VAL 81 18.778 6.510 -6.760
623 HB VAL 81 HB VAL 81 18.740 8.883 -6.831
624 1HG1 VAL 81 1HG1 VAL 81 16.910 10.184 -7.802
625 2HG1 VAL 81 2HG1 VAL 81 16.149 8.693 -8.356
626 3HG1 VAL 81 3HG1 VAL 81 17.718 9.177 -9.008
627 1HG2 VAL 81 1HG2 VAL 81 15.932 8.520 -5.962
628 2HG2 VAL 81 2HG2 VAL 81 17.285 9.289 -5.134
629 3HG2 VAL 81 3HG2 VAL 81 17.155 7.531 -5.166
630 HA PRO 82 HA PRO 82 15.403 3.665 -7.742
631 1HB PRO 82 2HB PRO 82 15.630 3.242 -4.796
632 2HB PRO 82 1HB PRO 82 15.562 2.053 -6.102
633 1HG PRO 82 2HG PRO 82 17.864 2.601 -4.885
634 2HG PRO 82 1HG PRO 82 17.804 2.316 -6.636
635 1HD PRO 82 2HD PRO 82 18.081 4.883 -5.140
636 2HD PRO 82 1HD PRO 82 18.811 4.387 -6.679
637 H LYS 83 H LYS 83 13.207 3.753 -7.508
638 HA LYS 83 HA LYS 83 12.144 6.094 -6.132
639 1HB LYS 83 2HB LYS 83 11.001 4.160 -8.143
640 2HB LYS 83 1HB LYS 83 9.986 5.320 -7.295
641 1HG LYS 83 2HG LYS 83 12.420 6.267 -8.739
642 2HG LYS 83 1HG LYS 83 10.948 5.893 -9.638
643 1HD LYS 83 2HD LYS 83 10.419 8.035 -9.191
644 2HD LYS 83 1HD LYS 83 9.944 7.394 -7.617
645 1HE LYS 83 2HE LYS 83 12.533 7.788 -7.130
646 2HE LYS 83 1HE LYS 83 12.313 9.007 -8.385
647 1HZ LYS 83 1HZ LYS 83 11.018 10.267 -7.059
648 2HZ LYS 83 2HZ LYS 83 11.850 9.469 -5.820
649 3HZ LYS 83 3HZ LYS 83 10.307 8.945 -6.277
650 HA PRO 84 HA PRO 84 10.460 4.015 -2.688
651 1HB PRO 84 2HB PRO 84 8.118 5.779 -2.851
652 2HB PRO 84 1HB PRO 84 9.368 5.679 -1.605
653 1HG PRO 84 2HG PRO 84 9.292 7.752 -3.252
654 2HG PRO 84 1HG PRO 84 10.845 7.039 -2.800
655 1HD PRO 84 2HD PRO 84 9.230 6.587 -5.292
656 2HD PRO 84 1HD PRO 84 10.953 7.004 -5.133
657 H GLN 85 H GLN 85 9.075 2.383 -2.136
658 HA GLN 85 HA GLN 85 7.600 1.109 -4.185
659 1HB GLN 85 2HB GLN 85 7.901 0.667 -1.234
660 2HB GLN 85 1HB GLN 85 6.712 -0.251 -2.147
661 1HG GLN 85 2HG GLN 85 8.410 -1.197 -3.536
662 2HG GLN 85 1HG GLN 85 9.637 -0.145 -2.832
663 1HE2 GLN 85 1HE2 GLN 85 9.889 -2.908 -2.929
664 2HE2 GLN 85 2HE2 GLN 85 9.845 -3.529 -1.317
665 H ARG 86 H ARG 86 5.426 0.959 -4.566
666 HA ARG 86 HA ARG 86 3.576 2.437 -2.856
667 1HB ARG 86 2HB ARG 86 4.360 3.197 -5.611
668 2HB ARG 86 1HB ARG 86 2.639 3.247 -5.255
669 1HG ARG 86 2HG ARG 86 2.839 4.993 -3.823
670 2HG ARG 86 1HG ARG 86 4.463 4.530 -3.308
671 1HD ARG 86 2HD ARG 86 3.772 5.713 -5.996
672 2HD ARG 86 1HD ARG 86 4.416 6.623 -4.629
673 HE ARG 86 HE ARG 86 6.220 4.620 -4.995
674 1HH1 ARG 86 1HH1 ARG 86 4.856 7.069 -7.073
675 2HH1 ARG 86 2HH1 ARG 86 6.266 7.185 -8.072
676 1HH2 ARG 86 1HH2 ARG 86 8.076 4.773 -6.306
677 2HH2 ARG 86 2HH2 ARG 86 8.095 5.881 -7.636
678 H HIS 87 H HIS 87 1.904 1.134 -2.467
679 HA HIS 87 HA HIS 87 1.199 -0.891 -4.485
680 1HB HIS 87 2HB HIS 87 0.496 -0.938 -1.548
681 2HB HIS 87 1HB HIS 87 0.317 -2.249 -2.708
682 HD1 HIS 87 HD1 HIS 87 2.569 -3.378 -3.543
683 HD2 HIS 87 HD2 HIS 87 2.951 -0.780 -0.323
684 HE1 HIS 87 HE1 HIS 87 4.824 -3.873 -2.544
685 HE2 HIS 87 HE2 HIS 87 5.071 -2.225 -0.653
686 H MET 88 H MET 88 -1.100 -1.418 -4.706
687 HA MET 88 HA MET 88 -2.882 0.796 -3.960
688 1HB MET 88 2HB MET 88 -2.140 1.098 -6.300
689 2HB MET 88 1HB MET 88 -2.780 -0.492 -6.691
690 1HG MET 88 2HG MET 88 -5.019 0.402 -5.844
691 2HG MET 88 1HG MET 88 -4.273 1.996 -5.955
692 1HE MET 88 1HE MET 88 -6.987 0.907 -7.739
693 2HE MET 88 2HE MET 88 -6.592 2.003 -9.064
694 3HE MET 88 3HE MET 88 -6.363 2.520 -7.394
695 H PHE 89 H PHE 89 -4.933 0.253 -3.424
696 HA PHE 89 HA PHE 89 -5.934 -2.428 -3.938
697 1HB PHE 89 2HB PHE 89 -5.609 -1.344 -1.130
698 2HB PHE 89 1HB PHE 89 -6.480 -2.813 -1.553
699 HD1 PHE 89 HD1 PHE 89 -5.311 -4.828 -2.136
700 HD2 PHE 89 HD2 PHE 89 -3.181 -1.248 -1.267
701 HE1 PHE 89 HE1 PHE 89 -3.226 -6.119 -1.948
702 HE2 PHE 89 HE2 PHE 89 -1.092 -2.531 -1.078
703 HZ PHE 89 HZ PHE 89 -1.111 -4.970 -1.419
704 H SER 90 H SER 90 -8.017 -2.280 -4.495
705 HA SER 90 HA SER 90 -9.447 0.189 -3.824
706 1HB SER 90 2HB SER 90 -9.383 -0.198 -6.182
707 2HB SER 90 1HB SER 90 -9.888 -1.877 -5.983
708 HG SER 90 HG SER 90 -11.916 -1.242 -5.593
709 H PHE 91 H PHE 91 -11.249 0.223 -2.625
710 HA PHE 91 HA PHE 91 -12.392 -2.357 -1.776
711 1HB PHE 91 2HB PHE 91 -12.261 0.114 -0.046
712 2HB PHE 91 1HB PHE 91 -12.712 -1.515 0.439
713 HD1 PHE 91 HD1 PHE 91 -11.146 -2.804 1.517
714 HD2 PHE 91 HD2 PHE 91 -9.832 0.327 -1.048
715 HE1 PHE 91 HE1 PHE 91 -8.818 -3.249 2.173
716 HE2 PHE 91 HE2 PHE 91 -7.501 -0.114 -0.397
717 HZ PHE 91 HZ PHE 91 -6.992 -1.903 1.216
718 H ASN 92 H ASN 92 -14.535 -2.572 -2.047
719 HA ASN 92 HA ASN 92 -15.996 -0.492 -3.351
720 1HB ASN 92 2HB ASN 92 -17.087 -3.066 -2.215
721 2HB ASN 92 1HB ASN 92 -17.819 -2.051 -3.455
722 1HD2 ASN 92 1HD2 ASN 92 -15.661 -1.509 -5.052
723 2HD2 ASN 92 2HD2 ASN 92 -15.109 -2.967 -5.793
724 H ASN 93 H ASN 93 -15.501 -1.359 -0.083
725 HA ASN 93 HA ASN 93 -17.788 0.303 0.737
726 1HB ASN 93 2HB ASN 93 -16.397 -1.949 2.193
727 2HB ASN 93 1HB ASN 93 -17.574 -0.881 2.950
728 1HD2 ASN 93 1HD2 ASN 93 -17.918 -3.619 2.822
729 2HD2 ASN 93 2HD2 ASN 93 -19.254 -3.972 1.787
730 H ARG 94 H ARG 94 -17.190 2.282 1.300
731 HA ARG 94 HA ARG 94 -14.605 3.169 1.736
732 1HB ARG 94 2HB ARG 94 -16.597 4.604 1.256
733 2HB ARG 94 1HB ARG 94 -17.097 4.384 2.928
734 1HG ARG 94 2HG ARG 94 -14.359 5.407 2.410
735 2HG ARG 94 1HG ARG 94 -15.725 6.494 2.154
736 1HD ARG 94 2HD ARG 94 -16.409 5.491 4.539
737 2HD ARG 94 1HD ARG 94 -14.656 5.331 4.657
738 HE ARG 94 HE ARG 94 -16.180 7.756 4.738
739 1HH1 ARG 94 1HH1 ARG 94 -13.075 6.386 3.924
740 2HH1 ARG 94 2HH1 ARG 94 -12.220 7.875 4.148
741 1HH2 ARG 94 1HH2 ARG 94 -15.056 9.715 5.033
742 2HH2 ARG 94 2HH2 ARG 94 -13.343 9.764 4.777
743 H THR 95 H THR 95 -16.794 1.623 3.921
744 HA THR 95 HA THR 95 -15.567 2.397 6.336
745 HB THR 95 HB THR 95 -16.958 -0.157 6.252
746 HG1 THR 95 HG1 THR 95 -18.217 2.195 5.331
747 1HG2 THR 95 1HG2 THR 95 -18.285 0.782 8.003
748 2HG2 THR 95 2HG2 THR 95 -17.641 2.388 7.664
749 3HG2 THR 95 3HG2 THR 95 -16.586 1.135 8.316
750 H VAL 96 H VAL 96 -15.328 -0.496 4.291
751 HA VAL 96 HA VAL 96 -13.584 -1.956 5.919
752 HB VAL 96 HB VAL 96 -13.713 -1.988 2.897
753 1HG1 VAL 96 1HG1 VAL 96 -13.006 -4.435 3.376
754 2HG1 VAL 96 2HG1 VAL 96 -12.444 -3.790 4.919
755 3HG1 VAL 96 3HG1 VAL 96 -11.784 -3.164 3.408
756 1HG2 VAL 96 1HG2 VAL 96 -15.157 -3.785 4.836
757 2HG2 VAL 96 2HG2 VAL 96 -15.342 -3.720 3.084
758 3HG2 VAL 96 3HG2 VAL 96 -15.891 -2.372 4.079
759 H MET 97 H MET 97 -12.827 0.184 3.169
760 HA MET 97 HA MET 97 -10.036 -0.006 3.402
761 1HB MET 97 2HB MET 97 -10.104 2.319 2.272
762 2HB MET 97 1HB MET 97 -10.739 0.940 1.391
763 1HG MET 97 2HG MET 97 -12.999 1.583 1.938
764 2HG MET 97 1HG MET 97 -12.405 2.906 2.937
765 1HE MET 97 1HE MET 97 -11.361 5.615 0.643
766 2HE MET 97 2HE MET 97 -10.106 4.436 1.025
767 3HE MET 97 3HE MET 97 -11.307 4.874 2.243
768 H ASP 98 H ASP 98 -12.415 1.936 5.060
769 HA ASP 98 HA ASP 98 -10.704 3.820 6.235
770 1HB ASP 98 2HB ASP 98 -13.225 3.911 6.193
771 2HB ASP 98 1HB ASP 98 -13.220 2.704 7.477
772 H ASN 99 H ASN 99 -11.554 0.553 7.108
773 HA ASN 99 HA ASN 99 -10.345 0.612 9.695
774 1HB ASN 99 2HB ASN 99 -11.162 -1.668 7.887
775 2HB ASN 99 1HB ASN 99 -10.470 -1.912 9.488
776 1HD2 ASN 99 1HD2 ASN 99 -13.262 -1.127 7.690
777 2HD2 ASN 99 2HD2 ASN 99 -14.345 -0.933 9.021
778 H ILE 100 H ILE 100 -9.307 -0.507 6.499
779 HA ILE 100 HA ILE 100 -6.813 -1.554 7.244
780 HB ILE 100 HB ILE 100 -7.494 -0.219 4.619
781 1HG1 ILE 100 2HG1 ILE 100 -9.116 -2.004 5.300
782 2HG1 ILE 100 1HG1 ILE 100 -8.235 -2.363 3.821
783 1HG2 ILE 100 1HG2 ILE 100 -5.814 -2.050 3.847
784 2HG2 ILE 100 2HG2 ILE 100 -5.281 -2.007 5.529
785 3HG2 ILE 100 3HG2 ILE 100 -5.212 -0.546 4.543
786 1HD1 ILE 100 1HD1 ILE 100 -7.735 -3.503 6.557
787 2HD1 ILE 100 2HD1 ILE 100 -6.695 -3.774 5.154
788 3HD1 ILE 100 3HD1 ILE 100 -8.365 -4.346 5.135
789 H LYS 101 H LYS 101 -7.660 1.641 5.955
790 HA LYS 101 HA LYS 101 -5.093 2.760 6.116
791 1HB LYS 101 2HB LYS 101 -7.288 3.585 4.951
792 2HB LYS 101 1HB LYS 101 -7.564 4.409 6.477
793 1HG LYS 101 2HG LYS 101 -4.925 5.004 5.785
794 2HG LYS 101 1HG LYS 101 -5.850 5.134 4.287
795 1HD LYS 101 2HD LYS 101 -6.408 6.538 6.896
796 2HD LYS 101 1HD LYS 101 -5.835 7.273 5.396
797 1HE LYS 101 2HE LYS 101 -8.112 6.008 4.577
798 2HE LYS 101 1HE LYS 101 -8.544 6.506 6.210
799 1HZ LYS 101 1HZ LYS 101 -8.183 8.744 5.695
800 2HZ LYS 101 2HZ LYS 101 -9.016 8.135 4.354
801 3HZ LYS 101 3HZ LYS 101 -7.346 8.387 4.267
802 H MET 102 H MET 102 -7.617 2.357 8.450
803 HA MET 102 HA MET 102 -6.484 4.141 10.396
804 1HB MET 102 2HB MET 102 -8.802 2.262 10.318
805 2HB MET 102 1HB MET 102 -8.191 2.774 11.886
806 1HG MET 102 2HG MET 102 -8.452 5.142 11.109
807 2HG MET 102 1HG MET 102 -9.281 4.510 9.688
808 1HE MET 102 1HE MET 102 -11.505 3.077 9.813
809 2HE MET 102 2HE MET 102 -12.408 2.773 11.296
810 3HE MET 102 3HE MET 102 -10.846 1.994 11.038
811 H THR 103 H THR 103 -6.557 0.652 9.843
812 HA THR 103 HA THR 103 -5.131 0.042 12.255
813 HB THR 103 HB THR 103 -6.498 -1.397 10.191
814 HG1 THR 103 HG1 THR 103 -7.115 -1.956 12.136
815 1HG2 THR 103 1HG2 THR 103 -4.390 -2.054 9.304
816 2HG2 THR 103 2HG2 THR 103 -5.094 -3.414 10.184
817 3HG2 THR 103 3HG2 THR 103 -3.798 -2.463 10.912
818 H LEU 104 H LEU 104 -4.273 0.317 8.831
819 HA LEU 104 HA LEU 104 -1.611 -0.523 9.062
820 1HB LEU 104 2HB LEU 104 -3.115 1.158 7.107
821 2HB LEU 104 1HB LEU 104 -1.367 1.096 7.000
822 HG LEU 104 HG LEU 104 -3.176 -1.316 6.891
823 1HD1 LEU 104 1HD1 LEU 104 -2.900 -1.345 4.558
824 2HD1 LEU 104 2HD1 LEU 104 -1.648 -0.103 4.609
825 3HD1 LEU 104 3HD1 LEU 104 -3.323 0.320 4.958
826 1HD2 LEU 104 1HD2 LEU 104 -1.348 -2.601 6.903
827 2HD2 LEU 104 2HD2 LEU 104 -0.514 -1.193 7.560
828 3HD2 LEU 104 3HD2 LEU 104 -0.468 -1.515 5.828
829 H GLN 105 H GLN 105 -3.116 2.621 9.550
830 HA GLN 105 HA GLN 105 -0.757 4.142 9.734
831 1HB GLN 105 2HB GLN 105 -3.551 4.577 10.055
832 2HB GLN 105 1HB GLN 105 -2.740 5.231 11.472
833 1HG GLN 105 2HG GLN 105 -2.030 5.896 8.624
834 2HG GLN 105 1HG GLN 105 -3.052 6.880 9.670
835 1HE2 GLN 105 1HE2 GLN 105 -0.206 6.980 8.378
836 2HE2 GLN 105 2HE2 GLN 105 0.754 7.644 9.652
837 H GLN 106 H GLN 106 -2.406 2.093 11.990
838 HA GLN 106 HA GLN 106 -1.170 3.040 14.357
839 1HB GLN 106 2HB GLN 106 -2.418 0.374 13.682
840 2HB GLN 106 1HB GLN 106 -1.852 0.805 15.291
841 1HG GLN 106 2HG GLN 106 -3.444 2.626 15.396
842 2HG GLN 106 1HG GLN 106 -3.977 2.278 13.751
843 1HE2 GLN 106 1HE2 GLN 106 -5.738 2.359 15.871
844 2HE2 GLN 106 2HE2 GLN 106 -6.349 0.770 16.166
845 H ILE 107 H ILE 107 -0.289 0.602 11.976
846 HA ILE 107 HA ILE 107 1.875 -0.496 13.442
847 HB ILE 107 HB ILE 107 1.393 -0.498 10.456
848 1HG1 ILE 107 2HG1 ILE 107 0.972 -3.006 11.849
849 2HG1 ILE 107 1HG1 ILE 107 -0.047 -1.737 12.520
850 1HG2 ILE 107 1HG2 ILE 107 3.725 -0.968 10.994
851 2HG2 ILE 107 2HG2 ILE 107 2.911 -2.417 10.403
852 3HG2 ILE 107 3HG2 ILE 107 3.221 -2.223 12.128
853 1HD1 ILE 107 1HD1 ILE 107 -1.333 -1.624 10.685
854 2HD1 ILE 107 2HD1 ILE 107 -0.727 -3.259 10.419
855 3HD1 ILE 107 3HD1 ILE 107 0.018 -1.894 9.585
856 H ILE 108 H ILE 108 1.695 2.023 10.946
857 HA ILE 108 HA ILE 108 4.463 2.481 10.711
858 HB ILE 108 HB ILE 108 2.505 4.741 10.529
859 1HG1 ILE 108 2HG1 ILE 108 2.929 2.977 8.155
860 2HG1 ILE 108 1HG1 ILE 108 1.731 2.516 9.356
861 1HG2 ILE 108 1HG2 ILE 108 5.201 4.464 9.964
862 2HG2 ILE 108 2HG2 ILE 108 4.148 5.793 9.478
863 3HG2 ILE 108 3HG2 ILE 108 4.419 4.435 8.384
864 1HD1 ILE 108 1HD1 ILE 108 1.758 4.843 7.512
865 2HD1 ILE 108 2HD1 ILE 108 0.912 4.967 9.056
866 3HD1 ILE 108 3HD1 ILE 108 0.455 3.718 7.896
867 H SER 109 H SER 109 2.043 4.342 12.416
868 HA SER 109 HA SER 109 3.715 5.992 13.885
869 1HB SER 109 2HB SER 109 1.041 4.900 14.784
870 2HB SER 109 1HB SER 109 1.827 6.357 15.392
871 HG SER 109 HG SER 109 0.137 6.430 13.575
872 H ARG 110 H ARG 110 2.874 2.667 14.414
873 HA ARG 110 HA ARG 110 3.760 2.535 17.122
874 1HB ARG 110 2HB ARG 110 2.883 0.609 15.056
875 2HB ARG 110 1HB ARG 110 3.945 -0.029 16.303
876 1HG ARG 110 2HG ARG 110 2.400 0.713 18.025
877 2HG ARG 110 1HG ARG 110 1.343 1.405 16.793
878 1HD ARG 110 2HD ARG 110 1.048 -0.835 15.819
879 2HD ARG 110 1HD ARG 110 2.064 -1.509 17.093
880 HE ARG 110 HE ARG 110 -0.690 -0.712 17.309
881 1HH1 ARG 110 1HH1 ARG 110 2.277 -1.257 19.064
882 2HH1 ARG 110 2HH1 ARG 110 1.478 -1.541 20.573
883 1HH2 ARG 110 1HH2 ARG 110 -1.742 -1.085 19.293
884 2HH2 ARG 110 2HH2 ARG 110 -0.805 -1.445 20.704
885 H TYR 111 H TYR 111 5.244 2.104 14.009
886 HA TYR 111 HA TYR 111 7.735 1.157 15.163
887 1HB TYR 111 2HB TYR 111 6.990 1.777 12.298
888 2HB TYR 111 1HB TYR 111 8.523 1.083 12.812
889 HD1 TYR 111 HD1 TYR 111 6.558 -0.126 10.828
890 HD2 TYR 111 HD2 TYR 111 7.049 -0.666 15.020
891 HE1 TYR 111 HE1 TYR 111 5.592 -2.379 10.646
892 HE2 TYR 111 HE2 TYR 111 6.085 -2.918 14.850
893 HH TYR 111 HH TYR 111 5.676 -4.633 13.262
894 H LYS 112 H LYS 112 6.355 4.091 13.873
895 HA LYS 112 HA LYS 112 8.732 5.549 13.491
896 1HB LYS 112 2HB LYS 112 5.860 6.143 13.676
897 2HB LYS 112 1HB LYS 112 6.901 7.463 14.194
898 1HG LYS 112 2HG LYS 112 7.153 8.026 12.071
899 2HG LYS 112 1HG LYS 112 8.022 6.512 11.814
900 1HD LYS 112 2HD LYS 112 6.345 6.364 10.236
901 2HD LYS 112 1HD LYS 112 5.632 5.500 11.599
902 1HE LYS 112 2HE LYS 112 3.878 6.861 11.210
903 2HE LYS 112 1HE LYS 112 4.827 8.014 12.148
904 1HZ LYS 112 1HZ LYS 112 4.344 7.916 9.261
905 2HZ LYS 112 2HZ LYS 112 5.821 8.541 9.801
906 3HZ LYS 112 3HZ LYS 112 4.370 9.248 10.306
907 H ASP 113 H ASP 113 6.741 4.950 16.314
908 HA ASP 113 HA ASP 113 7.785 6.867 18.052
909 1HB ASP 113 2HB ASP 113 5.783 5.396 18.461
910 2HB ASP 113 1HB ASP 113 6.898 4.085 18.833
911 H ALA 114 H ALA 114 8.981 3.680 17.163
912 HA ALA 114 HA ALA 114 10.975 3.436 19.126
913 1HB ALA 114 1HB ALA 114 12.040 2.025 17.112
914 2HB ALA 114 2HB ALA 114 10.381 2.159 16.530
915 3HB ALA 114 3HB ALA 114 10.707 1.436 18.103
916 H ASP 115 H ASP 115 10.911 5.097 16.039
917 HA ASP 115 HA ASP 115 13.640 6.076 16.570
918 1HB ASP 115 2HB ASP 115 12.293 5.553 13.914
919 2HB ASP 115 1HB ASP 115 13.832 6.391 14.090
920 H LEU 45 1H LEU 45 -4.062 2.899 -15.595
921 HA LEU 45 HA LEU 45 -4.072 1.222 -17.430
922 1HB LEU 45 2HB LEU 45 -4.228 2.947 -19.201
923 2HB LEU 45 1HB LEU 45 -2.622 3.507 -18.774
924 HG LEU 45 HG LEU 45 -1.804 1.162 -19.338
925 1HD1 LEU 45 1HD1 LEU 45 -3.935 0.014 -19.281
926 2HD1 LEU 45 2HD1 LEU 45 -3.221 -0.109 -20.889
927 3HD1 LEU 45 3HD1 LEU 45 -4.541 1.024 -20.594
928 1HD2 LEU 45 1HD2 LEU 45 -1.969 3.397 -20.819
929 2HD2 LEU 45 2HD2 LEU 45 -2.915 2.299 -21.823
930 3HD2 LEU 45 3HD2 LEU 45 -1.251 1.895 -21.401
931 H SER 46 H SER 46 -1.889 3.640 -16.128
932 HA SER 46 HA SER 46 0.040 1.493 -15.542
933 1HB SER 46 2HB SER 46 0.485 4.163 -16.776
934 2HB SER 46 1HB SER 46 1.687 3.606 -15.614
935 HG SER 46 HG SER 46 1.660 1.596 -16.926
936 HA PRO 47 HA PRO 47 0.188 2.512 -11.270
937 1HB PRO 47 2HB PRO 47 3.006 3.433 -11.599
938 2HB PRO 47 1HB PRO 47 2.328 2.273 -10.451
939 1HG PRO 47 2HG PRO 47 3.721 1.433 -12.556
940 2HG PRO 47 1HG PRO 47 2.277 0.556 -12.013
941 1HD PRO 47 2HD PRO 47 2.627 2.371 -14.355
942 2HD PRO 47 1HD PRO 47 1.624 0.914 -14.191
943 H ASP 48 H ASP 48 1.971 4.910 -13.211
944 HA ASP 48 HA ASP 48 1.701 7.071 -11.461
945 1HB ASP 48 2HB ASP 48 1.954 7.011 -14.473
946 2HB ASP 48 1HB ASP 48 2.061 8.481 -13.511
947 H ASP 49 H ASP 49 -0.523 5.685 -13.757
948 HA ASP 49 HA ASP 49 -2.318 7.832 -14.001
949 1HB ASP 49 2HB ASP 49 -2.157 5.485 -15.233
950 2HB ASP 49 1HB ASP 49 -3.345 5.031 -14.014
951 H ILE 50 H ILE 50 -2.114 5.180 -11.686
952 HA ILE 50 HA ILE 50 -4.523 5.746 -10.326
953 HB ILE 50 HB ILE 50 -2.087 4.395 -9.174
954 1HG1 ILE 50 2HG1 ILE 50 -2.651 3.318 -11.276
955 2HG1 ILE 50 1HG1 ILE 50 -3.144 2.281 -9.941
956 1HG2 ILE 50 1HG2 ILE 50 -4.965 3.865 -8.508
957 2HG2 ILE 50 2HG2 ILE 50 -4.029 5.108 -7.679
958 3HG2 ILE 50 3HG2 ILE 50 -3.522 3.422 -7.597
959 1HD1 ILE 50 1HD1 ILE 50 -4.983 2.128 -11.261
960 2HD1 ILE 50 2HD1 ILE 50 -4.794 3.756 -11.909
961 3HD1 ILE 50 3HD1 ILE 50 -5.441 3.525 -10.286
962 H GLU 51 H GLU 51 -1.324 7.045 -10.119
963 HA GLU 51 HA GLU 51 -1.478 8.193 -7.547
964 1HB GLU 51 2HB GLU 51 0.140 9.009 -9.966
965 2HB GLU 51 1HB GLU 51 0.363 9.674 -8.355
966 1HG GLU 51 2HG GLU 51 0.902 7.421 -7.525
967 2HG GLU 51 1HG GLU 51 0.740 6.800 -9.167
968 H GLN 52 H GLN 52 -2.595 9.232 -10.690
969 HA GLN 52 HA GLN 52 -3.066 11.942 -10.047
970 1HB GLN 52 2HB GLN 52 -3.406 11.983 -12.252
971 2HB GLN 52 1HB GLN 52 -3.405 10.228 -12.299
972 1HG GLN 52 2HG GLN 52 -5.784 10.170 -11.940
973 2HG GLN 52 1HG GLN 52 -5.828 11.919 -11.724
974 1HE2 GLN 52 1HE2 GLN 52 -5.628 9.313 -13.980
975 2HE2 GLN 52 2HE2 GLN 52 -5.805 10.259 -15.414
976 H TRP 53 H TRP 53 -4.858 9.017 -9.479
977 HA TRP 53 HA TRP 53 -7.424 10.010 -9.091
978 1HB TRP 53 2HB TRP 53 -5.974 7.727 -7.749
979 2HB TRP 53 1HB TRP 53 -7.685 8.057 -7.498
980 HD1 TRP 53 HD1 TRP 53 -5.962 8.287 -10.936
981 HE1 TRP 53 HE1 TRP 53 -7.021 6.529 -12.487
982 HE3 TRP 53 HE3 TRP 53 -8.963 5.913 -7.545
983 HZ2 TRP 53 HZ2 TRP 53 -8.882 4.415 -12.301
984 HZ3 TRP 53 HZ3 TRP 53 -10.351 4.032 -8.313
985 HH2 TRP 53 HH2 TRP 53 -10.312 3.299 -10.642
986 H PHE 54 H PHE 54 -4.688 9.883 -6.857
987 HA PHE 54 HA PHE 54 -6.231 11.058 -4.709
988 1HB PHE 54 2HB PHE 54 -3.291 10.382 -4.918
989 2HB PHE 54 1HB PHE 54 -4.082 10.978 -3.461
990 HD1 PHE 54 HD1 PHE 54 -5.579 9.562 -2.189
991 HD2 PHE 54 HD2 PHE 54 -3.649 8.128 -5.701
992 HE1 PHE 54 HE1 PHE 54 -6.157 7.256 -1.560
993 HE2 PHE 54 HE2 PHE 54 -4.224 5.819 -5.078
994 HZ PHE 54 HZ PHE 54 -5.478 5.379 -3.006
995 H THR 55 H THR 55 -4.142 12.119 -7.255
996 HA THR 55 HA THR 55 -3.465 14.632 -6.069
997 HB THR 55 HB THR 55 -2.865 13.189 -8.509
998 HG1 THR 55 HG1 THR 55 -0.916 13.811 -7.973
999 1HG2 THR 55 1HG2 THR 55 -2.135 15.298 -9.708
1000 2HG2 THR 55 2HG2 THR 55 -3.297 16.141 -8.682
1001 3HG2 THR 55 3HG2 THR 55 -3.846 14.879 -9.785
1002 H GLU 56 H GLU 56 -5.817 13.534 -8.473
1003 HA GLU 56 HA GLU 56 -6.846 16.066 -9.134
1004 1HB GLU 56 2HB GLU 56 -8.128 13.333 -9.225
1005 2HB GLU 56 1HB GLU 56 -8.854 14.779 -9.910
1006 1HG GLU 56 2HG GLU 56 -6.206 13.607 -10.727
1007 2HG GLU 56 1HG GLU 56 -7.728 13.409 -11.596
1008 H ASP 57 H ASP 57 -8.376 17.342 -8.241
1009 HA ASP 57 HA ASP 57 -9.865 16.336 -5.922
1010 1HB ASP 57 2HB ASP 57 -7.693 17.830 -5.480
1011 2HB ASP 57 1HB ASP 57 -8.846 19.128 -5.775
1012 HA PRO 58 HA PRO 58 -12.583 18.603 -8.934
1013 1HB PRO 58 2HB PRO 58 -14.601 16.792 -8.875
1014 2HB PRO 58 1HB PRO 58 -13.213 16.643 -9.958
1015 1HG PRO 58 2HG PRO 58 -13.724 15.290 -7.335
1016 2HG PRO 58 1HG PRO 58 -13.079 14.608 -8.840
1017 1HD PRO 58 2HD PRO 58 -11.493 15.304 -6.759
1018 2HD PRO 58 1HD PRO 58 -10.958 15.420 -8.447
Start of MODEL 7
1 HT1 PRO 1 HT2 PRO 1 -13.744 -6.416 8.256
2 HT2 PRO 1 HT1 PRO 1 -13.444 -7.080 9.797
3 HA PRO 1 HA PRO 1 -12.779 -4.601 8.802
4 1HB PRO 1 2HB PRO 1 -14.214 -4.103 11.319
5 2HB PRO 1 1HB PRO 1 -14.166 -3.140 9.837
6 1HG PRO 1 2HG PRO 1 -16.335 -4.602 10.561
7 2HG PRO 1 1HG PRO 1 -15.904 -4.291 8.872
8 1HD PRO 1 2HD PRO 1 -15.557 -6.777 10.494
9 2HD PRO 1 1HD PRO 1 -15.924 -6.599 8.768
10 H SER 2 H SER 2 -11.536 -3.404 10.612
11 HA SER 2 HA SER 2 -9.786 -3.426 12.065
12 1HB SER 2 2HB SER 2 -11.697 -4.050 13.605
13 2HB SER 2 1HB SER 2 -11.198 -5.732 13.416
14 HG SER 2 HG SER 2 -9.548 -3.630 14.376
15 H HIS 3 H HIS 3 -7.992 -4.045 11.020
16 HA HIS 3 HA HIS 3 -6.250 -5.330 10.338
17 1HB HIS 3 2HB HIS 3 -7.485 -7.350 12.219
18 2HB HIS 3 1HB HIS 3 -5.887 -7.494 11.497
19 HD1 HIS 3 HD1 HIS 3 -7.799 -5.522 14.047
20 HD2 HIS 3 HD2 HIS 3 -3.908 -5.919 12.649
21 HE1 HIS 3 HE1 HIS 3 -6.373 -4.235 15.664
22 HE2 HIS 3 HE2 HIS 3 -4.029 -4.426 14.761
23 H SER 4 H SER 4 -8.688 -5.284 8.857
24 HA SER 4 HA SER 4 -8.107 -7.092 6.856
25 1HB SER 4 2HB SER 4 -9.989 -8.683 6.968
26 2HB SER 4 1HB SER 4 -8.898 -8.862 8.349
27 HG SER 4 HG SER 4 -11.458 -7.672 8.265
28 H GLY 5 H GLY 5 -10.031 -7.328 5.280
29 1HA GLY 5 2HA GLY 5 -12.296 -5.930 5.134
30 2HA GLY 5 1HA GLY 5 -11.106 -4.648 4.956
31 H ALA 6 H ALA 6 -13.038 -6.724 3.308
32 HA ALA 6 HA ALA 6 -11.750 -7.855 1.235
33 1HB ALA 6 1HB ALA 6 -14.318 -6.330 1.281
34 2HB ALA 6 2HB ALA 6 -14.052 -8.073 1.216
35 3HB ALA 6 3HB ALA 6 -13.728 -7.078 -0.204
36 H ALA 7 H ALA 7 -10.202 -7.224 -0.089
37 HA ALA 7 HA ALA 7 -10.297 -4.472 -1.158
38 1HB ALA 7 1HB ALA 7 -8.653 -4.721 0.755
39 2HB ALA 7 2HB ALA 7 -7.998 -4.094 -0.758
40 3HB ALA 7 3HB ALA 7 -7.722 -5.777 -0.310
41 H ILE 8 H ILE 8 -9.297 -4.167 -3.211
42 HA ILE 8 HA ILE 8 -9.147 -6.645 -4.763
43 HB ILE 8 HB ILE 8 -9.698 -3.805 -5.525
44 1HG1 ILE 8 2HG1 ILE 8 -11.238 -5.688 -6.956
45 2HG1 ILE 8 1HG1 ILE 8 -11.138 -6.279 -5.301
46 1HG2 ILE 8 1HG2 ILE 8 -7.983 -4.396 -7.090
47 2HG2 ILE 8 2HG2 ILE 8 -9.549 -4.427 -7.902
48 3HG2 ILE 8 3HG2 ILE 8 -8.771 -5.935 -7.432
49 1HD1 ILE 8 1HD1 ILE 8 -13.079 -4.919 -5.571
50 2HD1 ILE 8 2HD1 ILE 8 -12.098 -3.585 -6.179
51 3HD1 ILE 8 3HD1 ILE 8 -11.929 -4.116 -4.504
52 H PHE 9 H PHE 9 -7.318 -7.412 -5.479
53 HA PHE 9 HA PHE 9 -4.957 -5.628 -5.485
54 1HB PHE 9 2HB PHE 9 -5.012 -7.504 -3.740
55 2HB PHE 9 1HB PHE 9 -4.807 -8.609 -5.094
56 HD1 PHE 9 HD1 PHE 9 -2.662 -9.418 -5.164
57 HD2 PHE 9 HD2 PHE 9 -3.291 -5.317 -4.213
58 HE1 PHE 9 HE1 PHE 9 -0.229 -9.066 -5.087
59 HE2 PHE 9 HE2 PHE 9 -0.857 -4.957 -4.133
60 HZ PHE 9 HZ PHE 9 0.677 -6.834 -4.572
61 H GLU 10 H GLU 10 -3.919 -5.395 -7.361
62 HA GLU 10 HA GLU 10 -3.373 -5.628 -9.562
63 1HB GLU 10 2HB GLU 10 -3.925 -8.559 -9.097
64 2HB GLU 10 1HB GLU 10 -2.959 -7.867 -10.394
65 1HG GLU 10 2HG GLU 10 -1.367 -7.021 -8.718
66 2HG GLU 10 1HG GLU 10 -2.314 -7.807 -7.457
67 H LYS 11 H LYS 11 -6.065 -4.978 -8.910
68 HA LYS 11 HA LYS 11 -8.014 -4.620 -10.023
69 1HB LYS 11 2HB LYS 11 -6.281 -5.659 -12.130
70 2HB LYS 11 1HB LYS 11 -7.969 -6.085 -12.382
71 1HG LYS 11 2HG LYS 11 -8.610 -3.760 -12.281
72 2HG LYS 11 1HG LYS 11 -6.950 -3.294 -11.899
73 1HD LYS 11 2HD LYS 11 -7.249 -4.908 -14.336
74 2HD LYS 11 1HD LYS 11 -8.016 -3.320 -14.402
75 1HE LYS 11 2HE LYS 11 -6.044 -2.222 -14.373
76 2HE LYS 11 1HE LYS 11 -5.296 -3.377 -13.271
77 1HZ LYS 11 1HZ LYS 11 -4.606 -3.188 -15.803
78 2HZ LYS 11 2HZ LYS 11 -5.867 -4.301 -15.978
79 3HZ LYS 11 3HZ LYS 11 -4.560 -4.659 -14.967
80 H VAL 12 H VAL 12 -6.957 -7.409 -8.774
81 HA VAL 12 HA VAL 12 -9.358 -8.938 -9.442
82 HB VAL 12 HB VAL 12 -6.720 -9.759 -8.244
83 1HG1 VAL 12 1HG1 VAL 12 -7.732 -12.062 -8.084
84 2HG1 VAL 12 2HG1 VAL 12 -9.312 -11.304 -8.279
85 3HG1 VAL 12 3HG1 VAL 12 -8.313 -10.911 -6.880
86 1HG2 VAL 12 1HG2 VAL 12 -8.310 -10.490 -10.672
87 2HG2 VAL 12 2HG2 VAL 12 -6.893 -11.400 -10.139
88 3HG2 VAL 12 3HG2 VAL 12 -6.730 -9.702 -10.604
89 H SER 13 H SER 13 -10.696 -9.686 -7.851
90 HA SER 13 HA SER 13 -10.720 -7.982 -5.505
91 1HB SER 13 2HB SER 13 -12.919 -8.926 -5.057
92 2HB SER 13 1HB SER 13 -12.794 -8.325 -6.709
93 HG SER 13 HG SER 13 -13.362 -10.251 -7.309
94 H GLY 14 H GLY 14 -10.722 -8.635 -3.400
95 1HA GLY 14 2HA GLY 14 -10.552 -11.301 -2.512
96 2HA GLY 14 1HA GLY 14 -8.931 -10.648 -2.696
97 H ILE 15 H ILE 15 -9.311 -11.303 -0.267
98 HA ILE 15 HA ILE 15 -10.374 -8.984 1.177
99 HB ILE 15 HB ILE 15 -9.536 -11.593 2.413
100 1HG1 ILE 15 2HG1 ILE 15 -11.311 -11.792 0.590
101 2HG1 ILE 15 1HG1 ILE 15 -11.717 -12.458 2.167
102 1HG2 ILE 15 1HG2 ILE 15 -10.953 -9.146 3.342
103 2HG2 ILE 15 2HG2 ILE 15 -9.744 -10.136 4.175
104 3HG2 ILE 15 3HG2 ILE 15 -11.416 -10.697 4.041
105 1HD1 ILE 15 1HD1 ILE 15 -13.315 -10.873 2.555
106 2HD1 ILE 15 2HD1 ILE 15 -13.410 -11.012 0.798
107 3HD1 ILE 15 3HD1 ILE 15 -12.527 -9.670 1.531
108 H ILE 16 H ILE 16 -9.102 -7.752 2.423
109 HA ILE 16 HA ILE 16 -6.235 -8.389 2.372
110 HB ILE 16 HB ILE 16 -7.694 -5.953 1.874
111 1HG1 ILE 16 2HG1 ILE 16 -4.742 -6.596 1.854
112 2HG1 ILE 16 1HG1 ILE 16 -5.854 -6.764 0.502
113 1HG2 ILE 16 1HG2 ILE 16 -7.418 -5.454 4.226
114 2HG2 ILE 16 2HG2 ILE 16 -6.452 -4.376 3.223
115 3HG2 ILE 16 3HG2 ILE 16 -5.679 -5.706 4.088
116 1HD1 ILE 16 1HD1 ILE 16 -5.766 -4.080 1.665
117 2HD1 ILE 16 2HD1 ILE 16 -5.728 -4.595 -0.021
118 3HD1 ILE 16 3HD1 ILE 16 -4.251 -4.625 0.943
119 H ALA 17 H ALA 17 -5.490 -9.160 4.223
120 HA ALA 17 HA ALA 17 -6.794 -8.314 6.719
121 1HB ALA 17 1HB ALA 17 -7.395 -10.622 5.992
122 2HB ALA 17 2HB ALA 17 -6.636 -10.526 7.587
123 3HB ALA 17 3HB ALA 17 -5.694 -11.065 6.195
124 H ILE 18 H ILE 18 -5.523 -7.395 8.130
125 HA ILE 18 HA ILE 18 -2.626 -7.565 7.775
126 HB ILE 18 HB ILE 18 -4.370 -5.627 9.297
127 1HG1 ILE 18 2HG1 ILE 18 -2.489 -5.072 7.008
128 2HG1 ILE 18 1HG1 ILE 18 -4.165 -5.542 6.747
129 1HG2 ILE 18 1HG2 ILE 18 -1.577 -6.247 9.677
130 2HG2 ILE 18 2HG2 ILE 18 -2.633 -5.181 10.602
131 3HG2 ILE 18 3HG2 ILE 18 -1.799 -4.571 9.173
132 1HD1 ILE 18 1HD1 ILE 18 -4.871 -3.585 8.077
133 2HD1 ILE 18 2HD1 ILE 18 -3.977 -3.162 6.616
134 3HD1 ILE 18 3HD1 ILE 18 -3.180 -3.094 8.187
135 H ASN 19 H ASN 19 -1.261 -8.313 9.330
136 HA ASN 19 HA ASN 19 -2.448 -9.243 11.856
137 1HB ASN 19 2HB ASN 19 -2.101 -11.107 10.168
138 2HB ASN 19 1HB ASN 19 -0.372 -10.810 10.322
139 1HD2 ASN 19 1HD2 ASN 19 -0.401 -13.079 10.998
140 2HD2 ASN 19 2HD2 ASN 19 -0.699 -13.439 12.663
141 H GLU 20 H GLU 20 -1.517 -8.118 13.427
142 HA GLU 20 HA GLU 20 1.175 -7.087 13.113
143 1HB GLU 20 2HB GLU 20 -0.807 -6.775 15.373
144 2HB GLU 20 1HB GLU 20 0.740 -5.948 15.267
145 1HG GLU 20 2HG GLU 20 -0.013 -4.861 13.191
146 2HG GLU 20 1HG GLU 20 -1.581 -5.647 13.374
147 H ASP 21 H ASP 21 0.017 -9.996 14.013
148 HA ASP 21 HA ASP 21 1.580 -10.480 16.369
149 1HB ASP 21 2HB ASP 21 -0.517 -11.732 15.793
150 2HB ASP 21 1HB ASP 21 0.359 -12.494 14.468
151 H VAL 22 H VAL 22 2.172 -10.377 13.012
152 HA VAL 22 HA VAL 22 4.533 -12.068 13.183
153 HB VAL 22 HB VAL 22 4.644 -11.317 10.676
154 1HG1 VAL 22 1HG1 VAL 22 4.073 -13.590 11.752
155 2HG1 VAL 22 2HG1 VAL 22 3.618 -13.308 10.072
156 3HG1 VAL 22 3HG1 VAL 22 2.408 -13.180 11.348
157 1HG2 VAL 22 1HG2 VAL 22 2.605 -10.725 9.648
158 2HG2 VAL 22 2HG2 VAL 22 2.786 -9.642 11.030
159 3HG2 VAL 22 3HG2 VAL 22 1.691 -11.023 11.127
160 H SER 23 H SER 23 6.582 -11.290 13.166
161 HA SER 23 HA SER 23 6.879 -8.370 13.039
162 1HB SER 23 2HB SER 23 8.338 -8.432 14.774
163 2HB SER 23 1HB SER 23 7.515 -9.950 15.131
164 HG SER 23 HG SER 23 10.030 -9.706 14.794
165 HA PRO 24 HA PRO 24 7.587 -6.834 12.172
166 1HB PRO 24 2HB PRO 24 7.593 -5.523 9.839
167 2HB PRO 24 1HB PRO 24 9.064 -5.693 10.804
168 1HG PRO 24 2HG PRO 24 8.187 -7.245 8.401
169 2HG PRO 24 1HG PRO 24 9.791 -6.594 8.785
170 1HD PRO 24 2HD PRO 24 9.072 -9.202 9.183
171 2HD PRO 24 1HD PRO 24 10.318 -8.370 10.133
172 H ALA 25 H ALA 25 5.511 -5.955 11.878
173 HA ALA 25 HA ALA 25 3.444 -7.661 11.250
174 1HB ALA 25 1HB ALA 25 3.263 -4.673 10.934
175 2HB ALA 25 2HB ALA 25 3.289 -5.484 12.499
176 3HB ALA 25 3HB ALA 25 1.974 -5.799 11.365
177 H GLU 26 H GLU 26 2.279 -8.182 9.456
178 HA GLU 26 HA GLU 26 2.995 -6.857 6.933
179 1HB GLU 26 2HB GLU 26 2.811 -9.841 7.369
180 2HB GLU 26 1HB GLU 26 3.028 -9.061 5.810
181 1HG GLU 26 2HG GLU 26 5.214 -8.766 6.129
182 2HG GLU 26 1HG GLU 26 4.998 -8.249 7.800
183 H LEU 27 H LEU 27 1.472 -7.300 5.178
184 HA LEU 27 HA LEU 27 -1.264 -7.787 6.161
185 1HB LEU 27 2HB LEU 27 -1.035 -5.441 5.696
186 2HB LEU 27 1HB LEU 27 -0.272 -5.764 4.152
187 HG LEU 27 HG LEU 27 -3.083 -6.675 4.660
188 1HD1 LEU 27 1HD1 LEU 27 -3.391 -4.342 3.284
189 2HD1 LEU 27 2HD1 LEU 27 -2.131 -3.917 4.442
190 3HD1 LEU 27 3HD1 LEU 27 -3.676 -4.546 5.012
191 1HD2 LEU 27 1HD2 LEU 27 -1.254 -6.386 2.375
192 2HD2 LEU 27 2HD2 LEU 27 -2.913 -5.863 2.084
193 3HD2 LEU 27 3HD2 LEU 27 -2.590 -7.509 2.629
194 H THR 28 H THR 28 -2.269 -9.434 5.179
195 HA THR 28 HA THR 28 -1.132 -10.397 2.641
196 HB THR 28 HB THR 28 -2.637 -11.973 4.732
197 HG1 THR 28 HG1 THR 28 -0.769 -12.409 5.584
198 1HG2 THR 28 1HG2 THR 28 -1.011 -13.040 2.446
199 2HG2 THR 28 2HG2 THR 28 -2.762 -12.850 2.384
200 3HG2 THR 28 3HG2 THR 28 -2.034 -13.936 3.569
201 H TRP 29 H TRP 29 -2.344 -10.383 0.894
202 HA TRP 29 HA TRP 29 -5.200 -9.838 1.121
203 1HB TRP 29 2HB TRP 29 -3.991 -8.270 -0.278
204 2HB TRP 29 1HB TRP 29 -3.261 -9.589 -1.192
205 HD1 TRP 29 HD1 TRP 29 -6.727 -8.084 -0.527
206 HE1 TRP 29 HE1 TRP 29 -8.202 -8.454 -2.615
207 HE3 TRP 29 HE3 TRP 29 -3.473 -10.860 -3.299
208 HZ2 TRP 29 HZ2 TRP 29 -7.991 -9.767 -5.107
209 HZ3 TRP 29 HZ3 TRP 29 -4.183 -11.643 -5.523
210 HH2 TRP 29 HH2 TRP 29 -6.392 -11.109 -6.404
211 H ARG 30 H ARG 30 -6.649 -11.364 0.615
212 HA ARG 30 HA ARG 30 -5.726 -13.688 -0.949
213 1HB ARG 30 2HB ARG 30 -6.046 -14.008 1.620
214 2HB ARG 30 1HB ARG 30 -7.761 -14.009 1.229
215 1HG ARG 30 2HG ARG 30 -7.459 -15.899 -0.248
216 2HG ARG 30 1HG ARG 30 -5.716 -15.869 0.031
217 1HD ARG 30 2HD ARG 30 -7.875 -16.469 2.048
218 2HD ARG 30 1HD ARG 30 -6.696 -17.598 1.382
219 HE ARG 30 HE ARG 30 -5.076 -16.715 2.777
220 1HH1 ARG 30 1HH1 ARG 30 -8.014 -14.839 3.012
221 2HH1 ARG 30 2HH1 ARG 30 -7.508 -13.997 4.437
222 1HH2 ARG 30 1HH2 ARG 30 -4.413 -15.604 4.649
223 2HH2 ARG 30 2HH2 ARG 30 -5.465 -14.430 5.365
224 H SER 31 H SER 31 -6.832 -13.843 -2.780
225 HA SER 31 HA SER 31 -8.941 -12.327 -3.610
226 1HB SER 31 2HB SER 31 -7.594 -13.890 -5.032
227 2HB SER 31 1HB SER 31 -8.566 -15.220 -4.404
228 HG SER 31 HG SER 31 -10.418 -14.008 -5.228
229 H THR 32 H THR 32 -11.233 -12.759 -3.900
230 HA THR 32 HA THR 32 -12.505 -13.593 -1.532
231 HB THR 32 HB THR 32 -14.264 -13.612 -3.835
232 HG1 THR 32 HG1 THR 32 -13.389 -12.102 -4.969
233 1HG2 THR 32 1HG2 THR 32 -13.992 -11.571 -1.647
234 2HG2 THR 32 2HG2 THR 32 -14.948 -13.050 -1.534
235 3HG2 THR 32 3HG2 THR 32 -15.376 -11.810 -2.714
236 H ASP 33 H ASP 33 -11.964 -15.037 -4.650
237 HA ASP 33 HA ASP 33 -13.435 -17.399 -4.050
238 1HB ASP 33 2HB ASP 33 -13.241 -16.499 -6.361
239 2HB ASP 33 1HB ASP 33 -11.530 -16.909 -6.337
240 H GLY 34 H GLY 34 -10.186 -16.318 -3.719
241 1HA GLY 34 2HA GLY 34 -8.577 -17.324 -2.334
242 2HA GLY 34 1HA GLY 34 -9.489 -18.825 -2.404
243 H ASP 35 H ASP 35 -8.597 -16.976 -5.246
244 HA ASP 35 HA ASP 35 -6.951 -19.241 -6.109
245 1HB ASP 35 2HB ASP 35 -8.268 -17.025 -7.684
246 2HB ASP 35 1HB ASP 35 -7.216 -18.246 -8.395
247 H LYS 36 H LYS 36 -6.751 -15.936 -5.188
248 HA LYS 36 HA LYS 36 -3.907 -15.926 -5.945
249 1HB LYS 36 2HB LYS 36 -5.655 -13.469 -5.939
250 2HB LYS 36 1HB LYS 36 -4.007 -13.613 -6.535
251 1HG LYS 36 2HG LYS 36 -5.395 -15.495 -8.001
252 2HG LYS 36 1HG LYS 36 -6.522 -14.144 -7.872
253 1HD LYS 36 2HD LYS 36 -3.676 -14.004 -8.867
254 2HD LYS 36 1HD LYS 36 -5.132 -13.926 -9.861
255 1HE LYS 36 2HE LYS 36 -5.801 -11.894 -8.546
256 2HE LYS 36 1HE LYS 36 -4.204 -11.933 -7.802
257 1HZ LYS 36 1HZ LYS 36 -3.865 -10.506 -9.542
258 2HZ LYS 36 2HZ LYS 36 -4.945 -11.302 -10.572
259 3HZ LYS 36 3HZ LYS 36 -3.421 -11.970 -10.267
260 H VAL 37 H VAL 37 -2.487 -15.228 -4.427
261 HA VAL 37 HA VAL 37 -3.533 -13.995 -1.984
262 HB VAL 37 HB VAL 37 -1.661 -16.367 -1.954
263 1HG1 VAL 37 1HG1 VAL 37 -2.996 -14.989 0.368
264 2HG1 VAL 37 2HG1 VAL 37 -1.351 -14.636 -0.163
265 3HG1 VAL 37 3HG1 VAL 37 -1.762 -16.249 0.423
266 1HG2 VAL 37 1HG2 VAL 37 -4.580 -16.157 -1.850
267 2HG2 VAL 37 2HG2 VAL 37 -3.876 -17.100 -0.537
268 3HG2 VAL 37 3HG2 VAL 37 -3.554 -17.545 -2.213
269 H HIS 38 H HIS 38 -2.280 -12.409 -1.211
270 HA HIS 38 HA HIS 38 0.525 -12.267 -2.056
271 1HB HIS 38 2HB HIS 38 -0.943 -10.826 -3.529
272 2HB HIS 38 1HB HIS 38 -1.278 -9.856 -2.099
273 HD1 HIS 38 HD1 HIS 38 1.789 -11.047 -4.017
274 HD2 HIS 38 HD2 HIS 38 0.443 -7.800 -1.801
275 HE1 HIS 38 HE1 HIS 38 3.631 -9.339 -4.139
276 HE2 HIS 38 HE2 HIS 38 2.830 -7.418 -2.719
277 H THR 39 H THR 39 1.905 -11.225 -0.653
278 HA THR 39 HA THR 39 0.758 -10.389 1.928
279 HB THR 39 HB THR 39 3.286 -12.007 1.552
280 HG1 THR 39 HG1 THR 39 2.111 -13.690 2.417
281 1HG2 THR 39 1HG2 THR 39 2.595 -12.292 4.147
282 2HG2 THR 39 2HG2 THR 39 2.151 -10.610 3.860
283 3HG2 THR 39 3HG2 THR 39 3.800 -11.152 3.550
284 H VAL 40 H VAL 40 1.632 -8.598 2.874
285 HA VAL 40 HA VAL 40 3.946 -7.361 1.534
286 HB VAL 40 HB VAL 40 1.473 -5.919 2.497
287 1HG1 VAL 40 1HG1 VAL 40 2.900 -4.231 2.890
288 2HG1 VAL 40 2HG1 VAL 40 2.976 -4.083 1.133
289 3HG1 VAL 40 3HG1 VAL 40 4.211 -5.006 1.995
290 1HG2 VAL 40 1HG2 VAL 40 1.118 -6.990 0.355
291 2HG2 VAL 40 2HG2 VAL 40 2.614 -6.296 -0.271
292 3HG2 VAL 40 3HG2 VAL 40 1.256 -5.244 0.133
293 H VAL 41 H VAL 41 5.407 -6.357 2.791
294 HA VAL 41 HA VAL 41 5.253 -6.843 5.655
295 HB VAL 41 HB VAL 41 7.352 -7.415 4.706
296 1HG1 VAL 41 1HG1 VAL 41 7.171 -4.783 3.307
297 2HG1 VAL 41 2HG1 VAL 41 7.380 -6.395 2.628
298 3HG1 VAL 41 3HG1 VAL 41 8.711 -5.629 3.493
299 1HG2 VAL 41 1HG2 VAL 41 8.198 -6.601 6.604
300 2HG2 VAL 41 2HG2 VAL 41 7.240 -5.126 6.507
301 3HG2 VAL 41 3HG2 VAL 41 8.759 -5.247 5.624
302 H LEU 42 H LEU 42 4.411 -5.347 6.955
303 HA LEU 42 HA LEU 42 3.799 -2.725 6.031
304 1HB LEU 42 2HB LEU 42 3.642 -3.884 8.812
305 2HB LEU 42 1HB LEU 42 2.932 -2.363 8.307
306 HG LEU 42 HG LEU 42 2.163 -5.081 7.240
307 1HD1 LEU 42 1HD1 LEU 42 0.987 -5.242 9.124
308 2HD1 LEU 42 2HD1 LEU 42 -0.025 -3.950 8.480
309 3HD1 LEU 42 3HD1 LEU 42 1.309 -3.566 9.567
310 1HD2 LEU 42 1HD2 LEU 42 1.702 -3.615 5.504
311 2HD2 LEU 42 2HD2 LEU 42 1.292 -2.291 6.594
312 3HD2 LEU 42 3HD2 LEU 42 0.183 -3.648 6.399
313 H SER 43 H SER 43 6.379 -4.080 7.970
314 HA SER 43 HA SER 43 7.321 -1.838 9.279
315 1HB SER 43 2HB SER 43 8.416 -4.423 8.490
316 2HB SER 43 1HB SER 43 9.643 -3.157 8.547
317 HG SER 43 HG SER 43 7.805 -3.698 10.639
318 H THR 44 H THR 44 7.433 -2.555 5.914
319 HA THR 44 HA THR 44 9.434 -0.503 5.399
320 HB THR 44 HB THR 44 9.791 -1.474 3.380
321 HG1 THR 44 HG1 THR 44 7.040 -2.138 3.201
322 1HG2 THR 44 1HG2 THR 44 9.872 -3.393 4.885
323 2HG2 THR 44 2HG2 THR 44 9.332 -3.842 3.268
324 3HG2 THR 44 3HG2 THR 44 8.163 -3.698 4.579
325 H ILE 45 H ILE 45 6.022 -0.954 5.332
326 HA ILE 45 HA ILE 45 5.303 1.027 3.495
327 HB ILE 45 HB ILE 45 3.762 0.179 5.950
328 1HG1 ILE 45 2HG1 ILE 45 4.395 -1.715 4.489
329 2HG1 ILE 45 1HG1 ILE 45 2.657 -1.433 4.494
330 1HG2 ILE 45 1HG2 ILE 45 3.232 2.263 4.227
331 2HG2 ILE 45 2HG2 ILE 45 2.059 1.448 5.261
332 3HG2 ILE 45 3HG2 ILE 45 2.254 0.944 3.582
333 1HD1 ILE 45 1HD1 ILE 45 4.264 -1.720 2.281
334 2HD1 ILE 45 2HD1 ILE 45 4.001 0.021 2.378
335 3HD1 ILE 45 3HD1 ILE 45 2.622 -1.078 2.304
336 H ASP 46 H ASP 46 6.715 2.778 3.857
337 HA ASP 46 HA ASP 46 6.879 4.144 6.340
338 1HB ASP 46 2HB ASP 46 8.478 4.153 4.251
339 2HB ASP 46 1HB ASP 46 7.472 5.508 3.746
340 H LYS 47 H LYS 47 4.746 4.392 3.584
341 HA LYS 47 HA LYS 47 3.229 6.444 5.028
342 1HB LYS 47 2HB LYS 47 4.299 6.617 2.242
343 2HB LYS 47 1HB LYS 47 2.804 7.443 2.647
344 1HG LYS 47 2HG LYS 47 5.409 7.819 4.099
345 2HG LYS 47 1HG LYS 47 4.845 8.849 2.783
346 1HD LYS 47 2HD LYS 47 2.882 8.455 4.921
347 2HD LYS 47 1HD LYS 47 4.354 9.276 5.439
348 1HE LYS 47 2HE LYS 47 4.070 10.980 3.790
349 2HE LYS 47 1HE LYS 47 2.750 10.095 3.025
350 1HZ LYS 47 1HZ LYS 47 1.410 10.429 4.991
351 2HZ LYS 47 2HZ LYS 47 1.949 11.921 4.406
352 3HZ LYS 47 3HZ LYS 47 2.680 11.233 5.767
353 H LEU 48 H LEU 48 1.025 6.436 4.693
354 HA LEU 48 HA LEU 48 -0.046 4.285 3.016
355 1HB LEU 48 2HB LEU 48 -0.819 3.241 4.817
356 2HB LEU 48 1HB LEU 48 -0.145 4.487 5.848
357 HG LEU 48 HG LEU 48 -2.322 5.778 5.239
358 1HD1 LEU 48 1HD1 LEU 48 -2.802 3.612 3.697
359 2HD1 LEU 48 2HD1 LEU 48 -4.059 4.663 4.349
360 3HD1 LEU 48 3HD1 LEU 48 -3.650 3.160 5.175
361 1HD2 LEU 48 1HD2 LEU 48 -3.142 5.203 7.294
362 2HD2 LEU 48 2HD2 LEU 48 -1.496 4.585 7.438
363 3HD2 LEU 48 3HD2 LEU 48 -2.822 3.485 7.063
364 H GLN 49 H GLN 49 -1.511 4.958 1.586
365 HA GLN 49 HA GLN 49 -2.787 7.571 2.059
366 1HB GLN 49 2HB GLN 49 -1.876 6.352 -0.550
367 2HB GLN 49 1HB GLN 49 -2.823 7.828 -0.422
368 1HG GLN 49 2HG GLN 49 -1.018 8.891 0.820
369 2HG GLN 49 1HG GLN 49 -0.069 7.407 0.720
370 1HE2 GLN 49 1HE2 GLN 49 0.982 9.733 -0.193
371 2HE2 GLN 49 2HE2 GLN 49 1.086 9.707 -1.918
372 H ALA 50 H ALA 50 -4.920 7.856 1.374
373 HA ALA 50 HA ALA 50 -6.384 5.551 0.367
374 1HB ALA 50 1HB ALA 50 -8.110 6.192 2.307
375 2HB ALA 50 2HB ALA 50 -6.600 6.584 3.131
376 3HB ALA 50 3HB ALA 50 -6.866 4.958 2.498
377 H THR 51 H THR 51 -8.328 6.080 -0.637
378 HA THR 51 HA THR 51 -8.515 8.784 -1.568
379 HB THR 51 HB THR 51 -10.369 7.987 -2.932
380 HG1 THR 51 HG1 THR 51 -11.497 6.613 -1.700
381 1HG2 THR 51 1HG2 THR 51 -8.215 5.890 -2.836
382 2HG2 THR 51 2HG2 THR 51 -8.130 7.410 -3.727
383 3HG2 THR 51 3HG2 THR 51 -9.325 6.192 -4.172
384 HA PRO 52 HA PRO 52 -11.078 10.192 1.820
385 1HB PRO 52 2HB PRO 52 -11.864 12.541 0.619
386 2HB PRO 52 1HB PRO 52 -10.341 12.324 1.487
387 1HG PRO 52 2HG PRO 52 -10.880 12.230 -1.454
388 2HG PRO 52 1HG PRO 52 -9.518 12.962 -0.586
389 1HD PRO 52 2HD PRO 52 -9.282 10.594 -1.824
390 2HD PRO 52 1HD PRO 52 -8.447 10.928 -0.293
391 H ALA 53 H ALA 53 -13.305 10.686 2.229
392 HA ALA 53 HA ALA 53 -15.117 9.093 0.815
393 1HB ALA 53 1HB ALA 53 -15.149 10.320 3.225
394 2HB ALA 53 2HB ALA 53 -16.565 9.596 2.463
395 3HB ALA 53 3HB ALA 53 -16.280 11.331 2.326
396 H SER 54 H SER 54 -14.530 12.586 0.692
397 HA SER 54 HA SER 54 -16.632 13.292 -1.000
398 1HB SER 54 2HB SER 54 -15.390 15.315 -1.473
399 2HB SER 54 1HB SER 54 -15.167 14.901 0.226
400 HG SER 54 HG SER 54 -13.118 14.364 -0.150
401 H SER 55 H SER 55 -13.639 11.709 -1.656
402 HA SER 55 HA SER 55 -13.792 12.103 -4.505
403 1HB SER 55 2HB SER 55 -11.607 12.012 -3.292
404 2HB SER 55 1HB SER 55 -11.925 10.311 -2.948
405 HG SER 55 HG SER 55 -11.629 9.814 -5.020
406 H GLU 56 H GLU 56 -15.037 10.919 -5.765
407 HA GLU 56 HA GLU 56 -16.526 8.714 -4.942
408 1HB GLU 56 2HB GLU 56 -15.669 9.501 -7.731
409 2HB GLU 56 1HB GLU 56 -16.914 8.314 -7.365
410 1HG GLU 56 2HG GLU 56 -18.214 10.065 -6.228
411 2HG GLU 56 1HG GLU 56 -16.982 11.244 -6.679
412 H LYS 57 H LYS 57 -13.236 8.944 -5.822
413 HA LYS 57 HA LYS 57 -12.783 6.356 -6.838
414 1HB LYS 57 2HB LYS 57 -10.828 8.010 -5.238
415 2HB LYS 57 1HB LYS 57 -10.451 6.759 -6.414
416 1HG LYS 57 2HG LYS 57 -11.692 9.443 -6.979
417 2HG LYS 57 1HG LYS 57 -10.055 8.925 -7.380
418 1HD LYS 57 2HD LYS 57 -11.063 7.128 -8.803
419 2HD LYS 57 1HD LYS 57 -12.640 7.864 -8.511
420 1HE LYS 57 2HE LYS 57 -11.952 9.900 -9.577
421 2HE LYS 57 1HE LYS 57 -10.291 9.323 -9.709
422 1HZ LYS 57 1HZ LYS 57 -11.435 9.111 -11.810
423 2HZ LYS 57 2HZ LYS 57 -12.653 8.175 -11.100
424 3HZ LYS 57 3HZ LYS 57 -11.075 7.573 -11.201
425 H MET 58 H MET 58 -12.051 4.472 -5.858
426 HA MET 58 HA MET 58 -12.237 4.336 -2.924
427 1HB MET 58 2HB MET 58 -13.381 2.237 -4.764
428 2HB MET 58 1HB MET 58 -13.546 2.336 -3.017
429 1HG MET 58 2HG MET 58 -14.570 4.589 -4.655
430 2HG MET 58 1HG MET 58 -15.478 3.079 -4.642
431 1HE MET 58 1HE MET 58 -16.308 2.633 -0.865
432 2HE MET 58 2HE MET 58 -14.725 2.161 -1.482
433 3HE MET 58 3HE MET 58 -16.172 1.865 -2.447
434 H MET 59 H MET 59 -9.914 4.297 -2.930
435 HA MET 59 HA MET 59 -8.866 1.629 -3.320
436 1HB MET 59 2HB MET 59 -7.700 3.978 -4.817
437 2HB MET 59 1HB MET 59 -6.969 2.383 -4.714
438 1HG MET 59 2HG MET 59 -8.949 1.436 -5.833
439 2HG MET 59 1HG MET 59 -9.603 3.064 -5.996
440 1HE MET 59 1HE MET 59 -7.018 4.834 -8.187
441 2HE MET 59 2HE MET 59 -6.126 4.256 -6.780
442 3HE MET 59 3HE MET 59 -7.757 4.900 -6.586
443 H LEU 60 H LEU 60 -6.588 1.446 -2.597
444 HA LEU 60 HA LEU 60 -5.830 3.464 -0.599
445 1HB LEU 60 2HB LEU 60 -7.037 1.456 0.399
446 2HB LEU 60 1HB LEU 60 -5.661 0.495 -0.107
447 HG LEU 60 HG LEU 60 -4.396 2.440 1.290
448 1HD1 LEU 60 1HD1 LEU 60 -6.956 3.064 1.863
449 2HD1 LEU 60 2HD1 LEU 60 -5.601 3.358 2.955
450 3HD1 LEU 60 3HD1 LEU 60 -6.606 1.923 3.161
451 1HD2 LEU 60 1HD2 LEU 60 -4.339 0.798 3.152
452 2HD2 LEU 60 2HD2 LEU 60 -3.997 0.089 1.574
453 3HD2 LEU 60 3HD2 LEU 60 -5.582 -0.134 2.316
454 H ARG 61 H ARG 61 -3.744 4.052 -0.804
455 HA ARG 61 HA ARG 61 -1.960 2.243 -2.307
456 1HB ARG 61 2HB ARG 61 -2.521 4.312 -3.523
457 2HB ARG 61 1HB ARG 61 -1.873 5.261 -2.193
458 1HG ARG 61 2HG ARG 61 0.337 4.237 -2.580
459 2HG ARG 61 1HG ARG 61 -0.335 3.378 -3.969
460 1HD ARG 61 2HD ARG 61 -0.950 5.583 -4.948
461 2HD ARG 61 1HD ARG 61 -0.103 6.363 -3.614
462 HE ARG 61 HE ARG 61 1.658 4.563 -4.817
463 1HH1 ARG 61 1HH1 ARG 61 -0.014 7.525 -5.600
464 2HH1 ARG 61 2HH1 ARG 61 1.201 8.061 -6.713
465 1HH2 ARG 61 1HH2 ARG 61 3.255 5.267 -6.281
466 2HH2 ARG 61 2HH2 ARG 61 3.056 6.779 -7.101
467 H LEU 62 H LEU 62 -0.200 1.530 -1.322
468 HA LEU 62 HA LEU 62 0.620 2.790 1.211
469 1HB LEU 62 2HB LEU 62 0.991 -0.003 0.133
470 2HB LEU 62 1HB LEU 62 1.835 0.586 1.548
471 HG LEU 62 HG LEU 62 0.022 0.378 2.890
472 1HD1 LEU 62 1HD1 LEU 62 -1.827 0.904 0.568
473 2HD1 LEU 62 2HD1 LEU 62 -1.259 2.123 1.709
474 3HD1 LEU 62 3HD1 LEU 62 -2.273 0.795 2.270
475 1HD2 LEU 62 1HD2 LEU 62 -0.994 -1.374 0.665
476 2HD2 LEU 62 2HD2 LEU 62 -1.226 -1.581 2.403
477 3HD2 LEU 62 3HD2 LEU 62 0.374 -1.801 1.692
478 H ILE 63 H ILE 63 2.770 3.353 1.556
479 HA ILE 63 HA ILE 63 4.448 3.360 -0.868
480 HB ILE 63 HB ILE 63 5.084 5.177 1.402
481 1HG1 ILE 63 2HG1 ILE 63 2.657 5.481 1.116
482 2HG1 ILE 63 1HG1 ILE 63 3.551 6.896 0.573
483 1HG2 ILE 63 1HG2 ILE 63 6.637 5.322 -0.291
484 2HG2 ILE 63 2HG2 ILE 63 5.541 6.649 -0.684
485 3HG2 ILE 63 3HG2 ILE 63 5.430 5.123 -1.562
486 1HD1 ILE 63 1HD1 ILE 63 3.311 6.104 -1.740
487 2HD1 ILE 63 2HD1 ILE 63 1.777 6.450 -0.940
488 3HD1 ILE 63 3HD1 ILE 63 2.307 4.781 -1.147
489 H GLY 64 H GLY 64 6.267 2.224 -0.847
490 1HA GLY 64 2HA GLY 64 7.122 0.988 1.655
491 2HA GLY 64 1HA GLY 64 7.673 0.560 0.042
492 H LYS 65 H LYS 65 8.882 1.537 2.771
493 HA LYS 65 HA LYS 65 10.194 3.910 2.588
494 1HB LYS 65 2HB LYS 65 11.039 1.260 3.701
495 2HB LYS 65 1HB LYS 65 12.160 2.614 3.723
496 1HG LYS 65 2HG LYS 65 10.503 3.935 4.972
497 2HG LYS 65 1HG LYS 65 9.434 2.532 4.997
498 1HD LYS 65 2HD LYS 65 11.184 1.262 6.192
499 2HD LYS 65 1HD LYS 65 12.184 2.717 6.225
500 1HE LYS 65 2HE LYS 65 9.851 3.653 7.253
501 2HE LYS 65 1HE LYS 65 9.841 1.991 7.842
502 1HZ LYS 65 1HZ LYS 65 12.056 2.366 8.771
503 2HZ LYS 65 2HZ LYS 65 10.922 3.442 9.419
504 3HZ LYS 65 3HZ LYS 65 12.017 3.974 8.243
505 H VAL 66 H VAL 66 11.902 4.775 1.518
506 HA VAL 66 HA VAL 66 12.887 3.274 -0.783
507 HB VAL 66 HB VAL 66 11.972 5.720 -0.808
508 1HG1 VAL 66 1HG1 VAL 66 14.800 6.544 -0.507
509 2HG1 VAL 66 2HG1 VAL 66 13.854 6.275 0.959
510 3HG1 VAL 66 3HG1 VAL 66 13.315 7.458 -0.234
511 1HG2 VAL 66 1HG2 VAL 66 13.652 4.247 -2.483
512 2HG2 VAL 66 2HG2 VAL 66 14.340 5.871 -2.425
513 3HG2 VAL 66 3HG2 VAL 66 12.660 5.639 -2.913
514 H ASP 67 H ASP 67 15.280 4.670 -1.183
515 HA ASP 67 HA ASP 67 17.013 4.525 1.063
516 1HB ASP 67 2HB ASP 67 16.666 2.095 0.643
517 2HB ASP 67 1HB ASP 67 17.290 2.313 -0.988
518 H GLU 68 H GLU 68 17.140 6.658 -0.025
519 HA GLU 68 HA GLU 68 18.137 7.081 -2.572
520 1HB GLU 68 2HB GLU 68 18.677 8.759 -0.119
521 2HB GLU 68 1HB GLU 68 18.821 9.293 -1.789
522 1HG GLU 68 2HG GLU 68 16.399 8.877 -2.081
523 2HG GLU 68 1HG GLU 68 16.298 8.480 -0.366
524 H SER 69 H SER 69 19.764 5.899 0.210
525 HA SER 69 HA SER 69 22.393 6.661 -0.290
526 1HB SER 69 2HB SER 69 21.430 4.045 0.889
527 2HB SER 69 1HB SER 69 23.047 4.726 1.064
528 HG SER 69 HG SER 69 22.197 6.395 2.266
529 H LYS 70 H LYS 70 20.372 4.526 -2.045
530 HA LYS 70 HA LYS 70 22.254 2.760 -3.137
531 1HB LYS 70 2HB LYS 70 19.681 3.833 -4.305
532 2HB LYS 70 1HB LYS 70 20.602 2.506 -4.997
533 1HG LYS 70 2HG LYS 70 19.489 2.484 -2.204
534 2HG LYS 70 1HG LYS 70 18.649 1.821 -3.608
535 1HD LYS 70 2HD LYS 70 19.691 -0.071 -2.864
536 2HD LYS 70 1HD LYS 70 20.954 0.554 -3.927
537 1HE LYS 70 2HE LYS 70 21.253 1.753 -1.360
538 2HE LYS 70 1HE LYS 70 21.091 0.010 -1.147
539 1HZ LYS 70 1HZ LYS 70 23.391 1.216 -1.703
540 2HZ LYS 70 2HZ LYS 70 22.873 0.866 -3.275
541 3HZ LYS 70 3HZ LYS 70 23.052 -0.382 -2.146
542 H LYS 71 H LYS 71 20.950 5.785 -4.511
543 HA LYS 71 HA LYS 71 21.791 7.248 -6.032
544 1HB LYS 71 2HB LYS 71 24.281 6.105 -4.822
545 2HB LYS 71 1HB LYS 71 24.406 7.186 -6.203
546 1HG LYS 71 2HG LYS 71 22.717 8.076 -3.943
547 2HG LYS 71 1HG LYS 71 24.465 8.050 -3.692
548 1HD LYS 71 2HD LYS 71 24.697 9.380 -5.801
549 2HD LYS 71 1HD LYS 71 22.940 9.530 -5.832
550 1HE LYS 71 2HE LYS 71 22.941 10.720 -3.753
551 2HE LYS 71 1HE LYS 71 24.661 10.405 -3.519
552 1HZ LYS 71 1HZ LYS 71 25.244 12.044 -4.927
553 2HZ LYS 71 2HZ LYS 71 23.716 12.661 -4.545
554 3HZ LYS 71 3HZ LYS 71 23.938 11.785 -5.973
555 H ARG 72 H ARG 72 20.889 6.392 -7.869
556 HA ARG 72 HA ARG 72 22.559 4.517 -9.409
557 1HB ARG 72 2HB ARG 72 19.589 5.049 -9.566
558 2HB ARG 72 1HB ARG 72 20.469 3.992 -10.661
559 1HG ARG 72 2HG ARG 72 21.188 3.028 -8.198
560 2HG ARG 72 1HG ARG 72 19.506 3.505 -7.957
561 1HD ARG 72 2HD ARG 72 18.990 2.232 -10.088
562 2HD ARG 72 1HD ARG 72 20.622 1.576 -9.977
563 HE ARG 72 HE ARG 72 19.577 1.038 -7.542
564 1HH1 ARG 72 1HH1 ARG 72 18.475 0.428 -10.796
565 2HH1 ARG 72 2HH1 ARG 72 17.616 -1.014 -10.369
566 1HH2 ARG 72 1HH2 ARG 72 18.450 -0.857 -6.978
567 2HH2 ARG 72 2HH2 ARG 72 17.601 -1.744 -8.201
568 H LYS 73 H LYS 73 23.070 4.965 -11.535
569 HA LYS 73 HA LYS 73 22.738 7.768 -12.310
570 1HB LYS 73 2HB LYS 73 24.600 5.638 -13.374
571 2HB LYS 73 1HB LYS 73 24.551 7.305 -13.934
572 1HG LYS 73 2HG LYS 73 24.833 7.376 -11.124
573 2HG LYS 73 1HG LYS 73 25.986 6.193 -11.744
574 1HD LYS 73 2HD LYS 73 26.474 8.081 -13.510
575 2HD LYS 73 1HD LYS 73 25.807 9.126 -12.253
576 1HE LYS 73 2HE LYS 73 27.917 9.163 -11.485
577 2HE LYS 73 1HE LYS 73 27.508 7.590 -10.803
578 1HZ LYS 73 1HZ LYS 73 28.304 6.724 -13.088
579 2HZ LYS 73 2HZ LYS 73 29.453 7.157 -11.924
580 3HZ LYS 73 3HZ LYS 73 29.101 8.213 -13.198
581 H ASP 74 H ASP 74 21.929 8.394 -14.291
582 HA ASP 74 HA ASP 74 20.099 6.507 -15.519
583 1HB ASP 74 2HB ASP 74 19.712 9.054 -14.912
584 2HB ASP 74 1HB ASP 74 20.413 9.307 -16.508
585 H ASN 75 H ASN 75 19.876 6.835 -18.021
586 HA ASN 75 HA ASN 75 22.194 5.757 -19.198
587 1HB ASN 75 2HB ASN 75 19.858 5.366 -19.993
588 2HB ASN 75 1HB ASN 75 19.842 7.011 -20.622
589 1HD2 ASN 75 1HD2 ASN 75 21.606 3.957 -20.810
590 2HD2 ASN 75 2HD2 ASN 75 22.069 4.121 -22.466
591 H GLU 76 H GLU 76 21.246 9.000 -18.638
592 HA GLU 76 HA GLU 76 22.916 10.097 -20.738
593 1HB GLU 76 2HB GLU 76 21.271 11.384 -18.561
594 2HB GLU 76 1HB GLU 76 22.239 12.295 -19.712
595 1HG GLU 76 2HG GLU 76 20.122 12.357 -20.634
596 2HG GLU 76 1HG GLU 76 20.897 11.038 -21.509
597 H GLY 77 H GLY 77 23.712 8.642 -17.986
598 1HA GLY 77 2HA GLY 77 25.732 8.614 -16.863
599 2HA GLY 77 1HA GLY 77 26.231 10.010 -17.804
600 H ASN 78 H ASN 78 23.221 10.398 -16.247
601 HA ASN 78 HA ASN 78 24.503 12.118 -14.241
602 1HB ASN 78 2HB ASN 78 21.574 12.271 -14.750
603 2HB ASN 78 1HB ASN 78 22.716 13.553 -14.369
604 1HD2 ASN 78 1HD2 ASN 78 24.578 13.338 -16.269
605 2HD2 ASN 78 2HD2 ASN 78 23.899 13.603 -17.835
606 H GLU 79 H GLU 79 23.818 12.066 -12.072
607 HA GLU 79 HA GLU 79 22.948 9.451 -11.203
608 1HB GLU 79 2HB GLU 79 23.691 11.918 -9.618
609 2HB GLU 79 1HB GLU 79 23.364 10.335 -8.925
610 1HG GLU 79 2HG GLU 79 25.263 9.417 -10.193
611 2HG GLU 79 1HG GLU 79 25.607 11.034 -10.806
612 H VAL 80 H VAL 80 21.069 8.949 -10.119
613 HA VAL 80 HA VAL 80 19.067 11.082 -9.846
614 HB VAL 80 HB VAL 80 17.358 9.903 -10.910
615 1HG1 VAL 80 1HG1 VAL 80 19.915 9.475 -12.434
616 2HG1 VAL 80 2HG1 VAL 80 18.752 10.792 -12.596
617 3HG1 VAL 80 3HG1 VAL 80 18.321 9.165 -13.124
618 1HG2 VAL 80 1HG2 VAL 80 17.340 7.743 -10.107
619 2HG2 VAL 80 2HG2 VAL 80 19.055 7.492 -10.446
620 3HG2 VAL 80 3HG2 VAL 80 17.886 7.476 -11.766
621 H VAL 81 H VAL 81 17.296 10.546 -8.406
622 HA VAL 81 HA VAL 81 18.183 8.764 -6.246
623 HB VAL 81 HB VAL 81 16.006 10.859 -6.147
624 1HG1 VAL 81 1HG1 VAL 81 16.350 10.643 -3.691
625 2HG1 VAL 81 2HG1 VAL 81 17.418 9.276 -4.006
626 3HG1 VAL 81 3HG1 VAL 81 15.714 9.186 -4.455
627 1HG2 VAL 81 1HG2 VAL 81 18.417 11.655 -6.603
628 2HG2 VAL 81 2HG2 VAL 81 18.726 11.181 -4.932
629 3HG2 VAL 81 3HG2 VAL 81 17.513 12.411 -5.290
630 HA PRO 82 HA PRO 82 15.247 5.904 -8.265
631 1HB PRO 82 2HB PRO 82 15.887 4.591 -5.649
632 2HB PRO 82 1HB PRO 82 15.746 3.875 -7.258
633 1HG PRO 82 2HG PRO 82 18.138 4.386 -6.182
634 2HG PRO 82 1HG PRO 82 17.839 4.603 -7.916
635 1HD PRO 82 2HD PRO 82 18.205 6.636 -5.798
636 2HD PRO 82 1HD PRO 82 18.500 6.751 -7.543
637 H LYS 83 H LYS 83 13.088 5.523 -7.955
638 HA LYS 83 HA LYS 83 11.779 7.067 -5.891
639 1HB LYS 83 2HB LYS 83 10.941 5.669 -8.379
640 2HB LYS 83 1HB LYS 83 9.723 5.868 -7.125
641 1HG LYS 83 2HG LYS 83 10.700 8.365 -7.203
642 2HG LYS 83 1HG LYS 83 10.998 7.872 -8.870
643 1HD LYS 83 2HD LYS 83 8.553 7.053 -8.834
644 2HD LYS 83 1HD LYS 83 8.392 8.067 -7.398
645 1HE LYS 83 2HE LYS 83 9.461 9.901 -8.897
646 2HE LYS 83 1HE LYS 83 8.953 8.861 -10.228
647 1HZ LYS 83 1HZ LYS 83 7.149 9.917 -8.118
648 2HZ LYS 83 2HZ LYS 83 6.689 9.004 -9.466
649 3HZ LYS 83 3HZ LYS 83 7.303 10.566 -9.672
650 HA PRO 84 HA PRO 84 11.104 3.813 -3.035
651 1HB PRO 84 2HB PRO 84 8.677 5.193 -2.173
652 2HB PRO 84 1HB PRO 84 10.198 4.949 -1.307
653 1HG PRO 84 2HG PRO 84 9.507 7.355 -2.202
654 2HG PRO 84 1HG PRO 84 11.190 6.825 -2.259
655 1HD PRO 84 2HD PRO 84 9.141 6.812 -4.454
656 2HD PRO 84 1HD PRO 84 10.806 7.442 -4.476
657 H GLN 85 H GLN 85 9.619 2.130 -2.398
658 HA GLN 85 HA GLN 85 8.125 1.069 -4.548
659 1HB GLN 85 2HB GLN 85 8.883 0.255 -1.862
660 2HB GLN 85 1HB GLN 85 7.245 -0.248 -2.255
661 1HG GLN 85 2HG GLN 85 7.923 -1.731 -3.816
662 2HG GLN 85 1HG GLN 85 9.301 -0.747 -4.311
663 1HE2 GLN 85 1HE2 GLN 85 10.778 -0.433 -2.151
664 2HE2 GLN 85 2HE2 GLN 85 11.296 -1.945 -1.498
665 H ARG 86 H ARG 86 5.866 0.709 -4.719
666 HA ARG 86 HA ARG 86 4.099 2.134 -2.908
667 1HB ARG 86 2HB ARG 86 4.679 3.013 -5.696
668 2HB ARG 86 1HB ARG 86 3.020 3.128 -5.124
669 1HG ARG 86 2HG ARG 86 3.584 5.108 -4.292
670 2HG ARG 86 1HG ARG 86 4.483 4.222 -3.059
671 1HD ARG 86 2HD ARG 86 6.216 5.449 -3.811
672 2HD ARG 86 1HD ARG 86 6.282 4.215 -5.068
673 HE ARG 86 HE ARG 86 5.572 5.771 -6.593
674 1HH1 ARG 86 1HH1 ARG 86 5.041 7.009 -3.372
675 2HH1 ARG 86 2HH1 ARG 86 4.618 8.597 -3.918
676 1HH2 ARG 86 1HH2 ARG 86 5.016 7.859 -7.311
677 2HH2 ARG 86 2HH2 ARG 86 4.602 9.080 -6.154
678 H HIS 87 H HIS 87 2.432 0.841 -2.525
679 HA HIS 87 HA HIS 87 1.733 -1.207 -4.503
680 1HB HIS 87 2HB HIS 87 0.986 -0.957 -1.582
681 2HB HIS 87 1HB HIS 87 0.489 -2.273 -2.639
682 HD1 HIS 87 HD1 HIS 87 2.507 -3.788 -3.585
683 HD2 HIS 87 HD2 HIS 87 3.411 -1.303 -0.379
684 HE1 HIS 87 HE1 HIS 87 4.657 -4.679 -2.629
685 HE2 HIS 87 HE2 HIS 87 5.138 -3.211 -0.638
686 H MET 88 H MET 88 -0.557 -1.657 -4.905
687 HA MET 88 HA MET 88 -2.300 0.668 -4.463
688 1HB MET 88 2HB MET 88 -1.377 0.838 -6.723
689 2HB MET 88 1HB MET 88 -1.944 -0.786 -7.089
690 1HG MET 88 2HG MET 88 -4.264 -0.006 -6.719
691 2HG MET 88 1HG MET 88 -3.640 1.628 -6.501
692 1HE MET 88 1HE MET 88 -5.878 1.054 -8.424
693 2HE MET 88 2HE MET 88 -5.424 1.664 -10.015
694 3HE MET 88 3HE MET 88 -5.161 2.657 -8.581
695 H PHE 89 H PHE 89 -4.308 0.204 -3.851
696 HA PHE 89 HA PHE 89 -5.391 -2.474 -4.328
697 1HB PHE 89 2HB PHE 89 -5.299 -1.112 -1.626
698 2HB PHE 89 1HB PHE 89 -6.205 -2.579 -1.982
699 HD1 PHE 89 HD1 PHE 89 -5.093 -4.692 -2.252
700 HD2 PHE 89 HD2 PHE 89 -2.872 -1.138 -1.517
701 HE1 PHE 89 HE1 PHE 89 -3.107 -6.047 -1.727
702 HE2 PHE 89 HE2 PHE 89 -0.882 -2.485 -0.992
703 HZ PHE 89 HZ PHE 89 -0.998 -4.944 -1.096
704 H SER 90 H SER 90 -7.653 -2.554 -4.461
705 HA SER 90 HA SER 90 -8.990 0.070 -4.409
706 1HB SER 90 2HB SER 90 -8.882 -0.412 -6.692
707 2HB SER 90 1HB SER 90 -9.144 -2.138 -6.439
708 HG SER 90 HG SER 90 -10.972 -0.069 -6.635
709 H PHE 91 H PHE 91 -10.857 0.231 -3.326
710 HA PHE 91 HA PHE 91 -12.092 -2.254 -2.332
711 1HB PHE 91 2HB PHE 91 -11.923 0.370 -0.838
712 2HB PHE 91 1HB PHE 91 -12.603 -1.139 -0.238
713 HD1 PHE 91 HD1 PHE 91 -11.300 -2.409 1.152
714 HD2 PHE 91 HD2 PHE 91 -9.409 0.152 -1.670
715 HE1 PHE 91 HE1 PHE 91 -9.103 -3.028 2.069
716 HE2 PHE 91 HE2 PHE 91 -7.209 -0.464 -0.761
717 HZ PHE 91 HZ PHE 91 -7.052 -2.057 1.112
718 H ASN 92 H ASN 92 -14.393 -1.789 -1.504
719 HA ASN 92 HA ASN 92 -15.727 0.162 -3.251
720 1HB ASN 92 2HB ASN 92 -16.677 -2.663 -2.747
721 2HB ASN 92 1HB ASN 92 -17.508 -1.446 -3.710
722 1HD2 ASN 92 1HD2 ASN 92 -16.203 -4.149 -4.245
723 2HD2 ASN 92 2HD2 ASN 92 -15.234 -3.862 -5.645
724 H ASN 93 H ASN 93 -15.008 -0.051 -0.298
725 HA ASN 93 HA ASN 93 -17.562 0.911 0.671
726 1HB ASN 93 2HB ASN 93 -17.500 -1.595 1.084
727 2HB ASN 93 1HB ASN 93 -16.170 -1.290 2.198
728 1HD2 ASN 93 1HD2 ASN 93 -18.121 -2.472 3.365
729 2HD2 ASN 93 2HD2 ASN 93 -19.115 -1.408 4.293
730 H ARG 94 H ARG 94 -17.046 2.813 1.520
731 HA ARG 94 HA ARG 94 -14.501 3.651 2.245
732 1HB ARG 94 2HB ARG 94 -17.240 4.648 2.973
733 2HB ARG 94 1HB ARG 94 -15.793 5.426 3.602
734 1HG ARG 94 2HG ARG 94 -16.076 4.988 0.665
735 2HG ARG 94 1HG ARG 94 -16.926 6.323 1.442
736 1HD ARG 94 2HD ARG 94 -13.955 5.808 1.528
737 2HD ARG 94 1HD ARG 94 -14.767 7.049 0.573
738 HE ARG 94 HE ARG 94 -15.561 7.621 3.083
739 1HH1 ARG 94 1HH1 ARG 94 -12.417 7.054 1.678
740 2HH1 ARG 94 2HH1 ARG 94 -11.594 8.090 2.795
741 1HH2 ARG 94 1HH2 ARG 94 -14.479 8.983 4.553
742 2HH2 ARG 94 2HH2 ARG 94 -12.764 9.185 4.426
743 H THR 95 H THR 95 -16.929 1.995 4.102
744 HA THR 95 HA THR 95 -15.844 2.417 6.655
745 HB THR 95 HB THR 95 -17.297 -0.061 6.166
746 HG1 THR 95 HG1 THR 95 -19.236 1.042 5.679
747 1HG2 THR 95 1HG2 THR 95 -17.021 0.946 8.400
748 2HG2 THR 95 2HG2 THR 95 -18.704 0.691 7.939
749 3HG2 THR 95 3HG2 THR 95 -18.002 2.306 7.851
750 H VAL 96 H VAL 96 -15.715 -0.415 4.495
751 HA VAL 96 HA VAL 96 -13.958 -1.930 6.063
752 HB VAL 96 HB VAL 96 -14.233 -1.964 3.049
753 1HG1 VAL 96 1HG1 VAL 96 -13.421 -4.279 3.226
754 2HG1 VAL 96 2HG1 VAL 96 -13.153 -4.040 4.953
755 3HG1 VAL 96 3HG1 VAL 96 -12.222 -3.109 3.779
756 1HG2 VAL 96 1HG2 VAL 96 -16.012 -3.415 3.244
757 2HG2 VAL 96 2HG2 VAL 96 -16.301 -2.327 4.601
758 3HG2 VAL 96 3HG2 VAL 96 -15.571 -3.909 4.879
759 H MET 97 H MET 97 -13.312 0.287 3.367
760 HA MET 97 HA MET 97 -10.505 -0.015 3.413
761 1HB MET 97 2HB MET 97 -12.155 1.138 1.672
762 2HB MET 97 1HB MET 97 -11.719 2.579 2.581
763 1HG MET 97 2HG MET 97 -9.368 2.181 2.122
764 2HG MET 97 1HG MET 97 -9.777 0.706 1.250
765 1HE MET 97 1HE MET 97 -9.585 4.407 1.420
766 2HE MET 97 2HE MET 97 -11.309 4.531 1.064
767 3HE MET 97 3HE MET 97 -10.120 5.018 -0.144
768 H ASP 98 H ASP 98 -12.751 1.901 5.267
769 HA ASP 98 HA ASP 98 -10.908 3.760 6.321
770 1HB ASP 98 2HB ASP 98 -13.668 2.902 6.931
771 2HB ASP 98 1HB ASP 98 -12.775 3.597 8.281
772 H ASN 99 H ASN 99 -11.831 0.523 7.215
773 HA ASN 99 HA ASN 99 -10.570 0.511 9.764
774 1HB ASN 99 2HB ASN 99 -11.423 -1.713 7.908
775 2HB ASN 99 1HB ASN 99 -10.688 -2.014 9.481
776 1HD2 ASN 99 1HD2 ASN 99 -13.516 -1.052 7.786
777 2HD2 ASN 99 2HD2 ASN 99 -14.566 -0.947 9.153
778 H ILE 100 H ILE 100 -9.544 -0.397 6.511
779 HA ILE 100 HA ILE 100 -7.041 -1.500 7.229
780 HB ILE 100 HB ILE 100 -7.726 -0.132 4.624
781 1HG1 ILE 100 2HG1 ILE 100 -9.400 -1.867 5.261
782 2HG1 ILE 100 1HG1 ILE 100 -8.498 -2.271 3.805
783 1HG2 ILE 100 1HG2 ILE 100 -5.569 -2.008 5.500
784 2HG2 ILE 100 2HG2 ILE 100 -5.446 -0.516 4.568
785 3HG2 ILE 100 3HG2 ILE 100 -6.092 -1.974 3.816
786 1HD1 ILE 100 1HD1 ILE 100 -8.674 -4.245 5.081
787 2HD1 ILE 100 2HD1 ILE 100 -8.162 -3.417 6.558
788 3HD1 ILE 100 3HD1 ILE 100 -7.009 -3.680 5.249
789 H LYS 101 H LYS 101 -7.920 1.709 5.982
790 HA LYS 101 HA LYS 101 -5.347 2.823 6.147
791 1HB LYS 101 2HB LYS 101 -7.442 3.683 4.913
792 2HB LYS 101 1HB LYS 101 -7.880 4.413 6.452
793 1HG LYS 101 2HG LYS 101 -5.267 5.206 6.099
794 2HG LYS 101 1HG LYS 101 -5.940 5.263 4.469
795 1HD LYS 101 2HD LYS 101 -7.083 6.604 6.917
796 2HD LYS 101 1HD LYS 101 -6.226 7.402 5.596
797 1HE LYS 101 2HE LYS 101 -8.322 5.865 4.465
798 2HE LYS 101 1HE LYS 101 -8.997 6.780 5.813
799 1HZ LYS 101 1HZ LYS 101 -8.683 8.729 4.761
800 2HZ LYS 101 2HZ LYS 101 -8.715 7.771 3.368
801 3HZ LYS 101 3HZ LYS 101 -7.235 8.250 4.032
802 H MET 102 H MET 102 -7.835 2.338 8.491
803 HA MET 102 HA MET 102 -6.748 4.155 10.436
804 1HB MET 102 2HB MET 102 -8.996 2.192 10.376
805 2HB MET 102 1HB MET 102 -8.380 2.708 11.938
806 1HG MET 102 2HG MET 102 -8.737 5.073 11.183
807 2HG MET 102 1HG MET 102 -9.577 4.420 9.779
808 1HE MET 102 1HE MET 102 -11.708 2.895 9.938
809 2HE MET 102 2HE MET 102 -12.616 2.588 11.419
810 3HE MET 102 3HE MET 102 -11.039 1.835 11.180
811 H THR 103 H THR 103 -6.709 0.671 9.858
812 HA THR 103 HA THR 103 -5.224 0.088 12.237
813 HB THR 103 HB THR 103 -6.551 -1.377 10.157
814 HG1 THR 103 HG1 THR 103 -6.517 -2.970 11.813
815 1HG2 THR 103 1HG2 THR 103 -4.422 -1.955 9.271
816 2HG2 THR 103 2HG2 THR 103 -5.078 -3.346 10.142
817 3HG2 THR 103 3HG2 THR 103 -3.817 -2.353 10.877
818 H LEU 104 H LEU 104 -4.433 0.655 8.856
819 HA LEU 104 HA LEU 104 -1.756 -0.188 8.948
820 1HB LEU 104 2HB LEU 104 -3.360 1.582 7.176
821 2HB LEU 104 1HB LEU 104 -1.614 1.677 7.054
822 HG LEU 104 HG LEU 104 -3.199 -0.872 6.740
823 1HD1 LEU 104 1HD1 LEU 104 -3.309 1.152 4.988
824 2HD1 LEU 104 2HD1 LEU 104 -3.338 -0.545 4.510
825 3HD1 LEU 104 3HD1 LEU 104 -1.830 0.367 4.437
826 1HD2 LEU 104 1HD2 LEU 104 -0.488 -0.606 5.635
827 2HD2 LEU 104 2HD2 LEU 104 -1.251 -1.963 6.464
828 3HD2 LEU 104 3HD2 LEU 104 -0.587 -0.622 7.397
829 H GLN 105 H GLN 105 -3.270 2.925 9.650
830 HA GLN 105 HA GLN 105 -0.912 4.418 9.970
831 1HB GLN 105 2HB GLN 105 -3.749 4.728 10.786
832 2HB GLN 105 1HB GLN 105 -2.564 5.712 11.632
833 1HG GLN 105 2HG GLN 105 -1.924 5.957 8.929
834 2HG GLN 105 1HG GLN 105 -3.684 6.039 9.005
835 1HE2 GLN 105 1HE2 GLN 105 -4.007 7.243 11.473
836 2HE2 GLN 105 2HE2 GLN 105 -3.403 8.860 11.397
837 H GLN 106 H GLN 106 -2.529 2.172 12.040
838 HA GLN 106 HA GLN 106 -1.325 2.968 14.486
839 1HB GLN 106 2HB GLN 106 -2.531 0.333 13.630
840 2HB GLN 106 1HB GLN 106 -2.021 0.698 15.273
841 1HG GLN 106 2HG GLN 106 -3.637 2.541 15.351
842 2HG GLN 106 1HG GLN 106 -4.163 2.132 13.719
843 1HE2 GLN 106 1HE2 GLN 106 -4.458 1.458 17.041
844 2HE2 GLN 106 2HE2 GLN 106 -5.580 0.150 16.918
845 H ILE 107 H ILE 107 -0.466 0.612 11.994
846 HA ILE 107 HA ILE 107 1.708 -0.545 13.375
847 HB ILE 107 HB ILE 107 1.267 -0.349 10.392
848 1HG1 ILE 107 2HG1 ILE 107 0.763 -2.921 11.663
849 2HG1 ILE 107 1HG1 ILE 107 -0.280 -1.655 12.301
850 1HG2 ILE 107 1HG2 ILE 107 3.058 -2.150 12.015
851 2HG2 ILE 107 2HG2 ILE 107 3.560 -0.906 10.871
852 3HG2 ILE 107 3HG2 ILE 107 2.724 -2.348 10.294
853 1HD1 ILE 107 1HD1 ILE 107 -0.823 -3.121 10.107
854 2HD1 ILE 107 2HD1 ILE 107 -0.048 -1.714 9.378
855 3HD1 ILE 107 3HD1 ILE 107 -1.464 -1.506 10.407
856 H ILE 108 H ILE 108 1.549 2.106 11.020
857 HA ILE 108 HA ILE 108 4.311 2.581 10.833
858 HB ILE 108 HB ILE 108 2.371 4.861 10.787
859 1HG1 ILE 108 2HG1 ILE 108 2.768 3.253 8.304
860 2HG1 ILE 108 1HG1 ILE 108 1.582 2.708 9.482
861 1HG2 ILE 108 1HG2 ILE 108 4.515 5.616 10.388
862 2HG2 ILE 108 2HG2 ILE 108 3.882 5.392 8.757
863 3HG2 ILE 108 3HG2 ILE 108 4.960 4.184 9.459
864 1HD1 ILE 108 1HD1 ILE 108 1.571 5.113 7.761
865 2HD1 ILE 108 2HD1 ILE 108 0.803 5.213 9.347
866 3HD1 ILE 108 3HD1 ILE 108 0.261 4.008 8.178
867 H SER 109 H SER 109 1.888 4.326 12.658
868 HA SER 109 HA SER 109 3.530 5.905 14.211
869 1HB SER 109 2HB SER 109 1.031 6.056 14.098
870 2HB SER 109 1HB SER 109 0.948 4.656 15.165
871 HG SER 109 HG SER 109 1.616 5.846 16.813
872 H ARG 110 H ARG 110 2.823 2.518 14.539
873 HA ARG 110 HA ARG 110 3.737 2.222 17.210
874 1HB ARG 110 2HB ARG 110 3.090 0.392 14.964
875 2HB ARG 110 1HB ARG 110 4.129 -0.240 16.233
876 1HG ARG 110 2HG ARG 110 2.443 0.238 17.900
877 2HG ARG 110 1HG ARG 110 1.410 0.978 16.675
878 1HD ARG 110 2HD ARG 110 1.355 -1.203 15.486
879 2HD ARG 110 1HD ARG 110 2.262 -1.911 16.821
880 HE ARG 110 HE ARG 110 -0.529 -1.352 16.757
881 1HH1 ARG 110 1HH1 ARG 110 2.237 -1.495 18.879
882 2HH1 ARG 110 2HH1 ARG 110 1.292 -1.817 20.294
883 1HH2 ARG 110 1HH2 ARG 110 -1.775 -1.774 18.617
884 2HH2 ARG 110 2HH2 ARG 110 -0.985 -1.976 20.145
885 H TYR 111 H TYR 111 5.280 2.196 14.097
886 HA TYR 111 HA TYR 111 7.875 1.638 15.364
887 1HB TYR 111 2HB TYR 111 7.242 1.653 12.408
888 2HB TYR 111 1HB TYR 111 8.703 1.046 13.183
889 HD1 TYR 111 HD1 TYR 111 6.148 -0.127 11.425
890 HD2 TYR 111 HD2 TYR 111 7.737 -0.605 15.343
891 HE1 TYR 111 HE1 TYR 111 5.137 -2.364 11.556
892 HE2 TYR 111 HE2 TYR 111 6.730 -2.843 15.485
893 HH TYR 111 HH TYR 111 4.553 -3.969 14.199
894 H LYS 112 H LYS 112 6.018 4.205 14.534
895 HA LYS 112 HA LYS 112 8.291 5.871 13.705
896 1HB LYS 112 2HB LYS 112 6.304 5.828 12.207
897 2HB LYS 112 1HB LYS 112 5.339 6.484 13.523
898 1HG LYS 112 2HG LYS 112 7.782 7.969 12.745
899 2HG LYS 112 1HG LYS 112 6.401 8.015 11.645
900 1HD LYS 112 2HD LYS 112 5.850 8.453 14.518
901 2HD LYS 112 1HD LYS 112 6.706 9.738 13.665
902 1HE LYS 112 2HE LYS 112 4.940 10.074 12.165
903 2HE LYS 112 1HE LYS 112 4.203 8.519 12.546
904 1HZ LYS 112 1HZ LYS 112 4.452 10.479 14.704
905 2HZ LYS 112 2HZ LYS 112 3.240 9.332 14.420
906 3HZ LYS 112 3HZ LYS 112 3.276 10.763 13.520
907 H ASP 113 H ASP 113 5.766 5.466 16.096
908 HA ASP 113 HA ASP 113 6.055 7.935 17.419
909 1HB ASP 113 2HB ASP 113 5.036 5.238 18.294
910 2HB ASP 113 1HB ASP 113 5.115 6.596 19.413
911 H ALA 114 H ALA 114 7.772 4.885 17.685
912 HA ALA 114 HA ALA 114 9.162 5.392 20.073
913 1HB ALA 114 1HB ALA 114 8.988 3.287 18.351
914 2HB ALA 114 2HB ALA 114 10.125 3.401 19.695
915 3HB ALA 114 3HB ALA 114 10.637 3.846 18.067
916 H ASP 115 H ASP 115 9.776 6.349 16.754
917 HA ASP 115 HA ASP 115 12.064 7.943 17.703
918 1HB ASP 115 2HB ASP 115 12.729 5.981 16.271
919 2HB ASP 115 1HB ASP 115 11.827 6.717 14.950
920 H LEU 45 1H LEU 45 -2.684 3.564 -18.267
921 HA LEU 45 HA LEU 45 -1.806 3.821 -20.559
922 1HB LEU 45 2HB LEU 45 -2.284 6.726 -19.883
923 2HB LEU 45 1HB LEU 45 -1.484 6.113 -21.319
924 HG LEU 45 HG LEU 45 -4.384 5.621 -20.641
925 1HD1 LEU 45 1HD1 LEU 45 -4.542 7.806 -21.195
926 2HD1 LEU 45 2HD1 LEU 45 -4.460 7.155 -22.833
927 3HD1 LEU 45 3HD1 LEU 45 -3.010 7.809 -22.070
928 1HD2 LEU 45 1HD2 LEU 45 -4.537 4.349 -22.492
929 2HD2 LEU 45 2HD2 LEU 45 -2.805 4.124 -22.246
930 3HD2 LEU 45 3HD2 LEU 45 -3.382 5.334 -23.391
931 H SER 46 H SER 46 -1.325 6.387 -18.124
932 HA SER 46 HA SER 46 1.341 5.261 -17.594
933 1HB SER 46 2HB SER 46 0.578 8.024 -18.364
934 2HB SER 46 1HB SER 46 1.798 7.868 -17.102
935 HG SER 46 HG SER 46 2.971 6.509 -18.558
936 HA PRO 47 HA PRO 47 0.580 5.377 -13.267
937 1HB PRO 47 2HB PRO 47 2.694 6.890 -12.310
938 2HB PRO 47 1HB PRO 47 2.761 5.162 -12.668
939 1HG PRO 47 2HG PRO 47 3.660 7.481 -14.319
940 2HG PRO 47 1HG PRO 47 4.414 5.890 -14.113
941 1HD PRO 47 2HD PRO 47 3.024 6.506 -16.322
942 2HD PRO 47 1HD PRO 47 2.975 4.875 -15.621
943 H ASP 48 H ASP 48 1.532 8.517 -14.615
944 HA ASP 48 HA ASP 48 0.637 10.207 -12.624
945 1HB ASP 48 2HB ASP 48 1.861 10.890 -14.701
946 2HB ASP 48 1HB ASP 48 0.353 10.715 -15.593
947 H ASP 49 H ASP 49 -1.201 8.242 -14.783
948 HA ASP 49 HA ASP 49 -3.648 9.648 -14.710
949 1HB ASP 49 2HB ASP 49 -2.905 7.689 -16.244
950 2HB ASP 49 1HB ASP 49 -3.477 6.656 -14.938
951 H ILE 50 H ILE 50 -2.336 7.024 -12.727
952 HA ILE 50 HA ILE 50 -4.633 6.754 -11.083
953 HB ILE 50 HB ILE 50 -1.806 5.978 -10.376
954 1HG1 ILE 50 2HG1 ILE 50 -2.359 5.037 -12.551
955 2HG1 ILE 50 1HG1 ILE 50 -2.375 3.763 -11.336
956 1HG2 ILE 50 1HG2 ILE 50 -3.914 4.216 -9.491
957 2HG2 ILE 50 2HG2 ILE 50 -4.165 5.859 -8.904
958 3HG2 ILE 50 3HG2 ILE 50 -2.653 5.020 -8.558
959 1HD1 ILE 50 1HD1 ILE 50 -4.282 3.254 -12.453
960 2HD1 ILE 50 2HD1 ILE 50 -4.604 4.930 -12.898
961 3HD1 ILE 50 3HD1 ILE 50 -4.944 4.372 -11.260
962 H GLU 51 H GLU 51 -1.974 8.933 -11.101
963 HA GLU 51 HA GLU 51 -1.899 9.664 -8.390
964 1HB GLU 51 2HB GLU 51 -1.242 11.267 -10.865
965 2HB GLU 51 1HB GLU 51 -0.872 11.784 -9.226
966 1HG GLU 51 2HG GLU 51 0.186 9.306 -10.567
967 2HG GLU 51 1HG GLU 51 1.069 10.814 -10.334
968 H GLN 52 H GLN 52 -3.994 10.625 -11.023
969 HA GLN 52 HA GLN 52 -5.137 12.882 -9.731
970 1HB GLN 52 2HB GLN 52 -5.529 11.410 -12.210
971 2HB GLN 52 1HB GLN 52 -7.051 11.945 -11.515
972 1HG GLN 52 2HG GLN 52 -6.609 14.131 -11.867
973 2HG GLN 52 1HG GLN 52 -4.874 13.935 -11.614
974 1HE2 GLN 52 1HE2 GLN 52 -4.112 12.141 -13.416
975 2HE2 GLN 52 2HE2 GLN 52 -4.438 12.681 -15.024
976 H TRP 53 H TRP 53 -5.805 9.456 -9.668
977 HA TRP 53 HA TRP 53 -8.407 9.431 -8.706
978 1HB TRP 53 2HB TRP 53 -6.082 7.578 -8.201
979 2HB TRP 53 1HB TRP 53 -7.690 7.262 -7.556
980 HD1 TRP 53 HD1 TRP 53 -6.284 8.135 -11.082
981 HE1 TRP 53 HE1 TRP 53 -7.453 6.605 -12.790
982 HE3 TRP 53 HE3 TRP 53 -9.331 5.542 -7.898
983 HZ2 TRP 53 HZ2 TRP 53 -9.407 4.569 -12.789
984 HZ3 TRP 53 HZ3 TRP 53 -10.821 3.820 -8.832
985 HH2 TRP 53 HH2 TRP 53 -10.857 3.345 -11.227
986 H PHE 54 H PHE 54 -5.456 10.302 -7.107
987 HA PHE 54 HA PHE 54 -6.893 10.526 -4.548
988 1HB PHE 54 2HB PHE 54 -3.926 10.341 -5.104
989 2HB PHE 54 1HB PHE 54 -4.626 10.609 -3.511
990 HD1 PHE 54 HD1 PHE 54 -3.959 8.187 -6.135
991 HD2 PHE 54 HD2 PHE 54 -5.879 8.830 -2.392
992 HE1 PHE 54 HE1 PHE 54 -4.154 5.753 -5.819
993 HE2 PHE 54 HE2 PHE 54 -6.075 6.399 -2.069
994 HZ PHE 54 HZ PHE 54 -5.213 4.857 -3.785
995 H THR 55 H THR 55 -5.423 12.306 -7.088
996 HA THR 55 HA THR 55 -4.999 14.684 -5.502
997 HB THR 55 HB THR 55 -4.278 13.748 -8.153
998 HG1 THR 55 HG1 THR 55 -3.222 15.640 -6.343
999 1HG2 THR 55 1HG2 THR 55 -5.188 16.577 -7.838
1000 2HG2 THR 55 2HG2 THR 55 -5.556 15.436 -9.131
1001 3HG2 THR 55 3HG2 THR 55 -3.936 16.120 -8.994
1002 H GLU 56 H GLU 56 -7.240 13.551 -7.990
1003 HA GLU 56 HA GLU 56 -8.699 15.917 -8.311
1004 1HB GLU 56 2HB GLU 56 -9.607 13.048 -8.589
1005 2HB GLU 56 1HB GLU 56 -10.514 14.442 -9.157
1006 1HG GLU 56 2HG GLU 56 -8.643 15.016 -10.652
1007 2HG GLU 56 1HG GLU 56 -7.800 13.562 -10.117
1008 H ASP 57 H ASP 57 -10.497 16.756 -7.320
1009 HA ASP 57 HA ASP 57 -11.407 15.412 -4.863
1010 1HB ASP 57 2HB ASP 57 -11.618 17.635 -3.798
1011 2HB ASP 57 1HB ASP 57 -9.952 17.257 -4.227
1012 HA PRO 58 HA PRO 58 -14.975 16.111 -7.814
1013 1HB PRO 58 2HB PRO 58 -15.889 13.838 -6.115
1014 2HB PRO 58 1HB PRO 58 -16.037 14.069 -7.862
1015 1HG PRO 58 2HG PRO 58 -14.235 12.383 -6.867
1016 2HG PRO 58 1HG PRO 58 -13.852 13.400 -8.269
1017 1HD PRO 58 2HD PRO 58 -12.999 13.691 -5.424
1018 2HD PRO 58 1HD PRO 58 -12.106 14.054 -6.915
Start of MODEL 8
1 HT1 PRO 1 HT2 PRO 1 -14.579 -5.392 11.647
2 HT2 PRO 1 HT1 PRO 1 -13.713 -4.049 12.248
3 HA PRO 1 HA PRO 1 -13.366 -5.500 9.899
4 1HB PRO 1 2HB PRO 1 -13.107 -2.922 8.851
5 2HB PRO 1 1HB PRO 1 -14.355 -4.102 8.435
6 1HG PRO 1 2HG PRO 1 -14.477 -1.803 10.319
7 2HG PRO 1 1HG PRO 1 -15.755 -2.498 9.310
8 1HD PRO 1 2HD PRO 1 -15.629 -2.906 11.989
9 2HD PRO 1 1HD PRO 1 -16.272 -4.128 10.872
10 H SER 2 H SER 2 -12.070 -5.145 12.376
11 HA SER 2 HA SER 2 -9.834 -3.338 11.928
12 1HB SER 2 2HB SER 2 -9.206 -3.773 14.166
13 2HB SER 2 1HB SER 2 -10.969 -3.742 14.193
14 HG SER 2 HG SER 2 -10.791 -6.107 13.932
15 H HIS 3 H HIS 3 -7.958 -3.917 11.054
16 HA HIS 3 HA HIS 3 -6.238 -5.165 10.241
17 1HB HIS 3 2HB HIS 3 -7.270 -7.313 12.103
18 2HB HIS 3 1HB HIS 3 -5.676 -7.253 11.358
19 HD1 HIS 3 HD1 HIS 3 -7.778 -5.395 13.884
20 HD2 HIS 3 HD2 HIS 3 -3.813 -5.777 12.707
21 HE1 HIS 3 HE1 HIS 3 -6.454 -4.106 15.583
22 HE2 HIS 3 HE2 HIS 3 -4.043 -4.449 14.921
23 H SER 4 H SER 4 -8.724 -5.117 8.881
24 HA SER 4 HA SER 4 -8.264 -7.027 6.910
25 1HB SER 4 2HB SER 4 -10.277 -8.462 7.152
26 2HB SER 4 1HB SER 4 -9.111 -8.691 8.460
27 HG SER 4 HG SER 4 -11.023 -8.473 9.479
28 H GLY 5 H GLY 5 -9.665 -6.838 5.124
29 1HA GLY 5 2HA GLY 5 -12.051 -5.407 5.049
30 2HA GLY 5 1HA GLY 5 -10.752 -4.254 4.776
31 H ALA 6 H ALA 6 -12.903 -6.235 3.321
32 HA ALA 6 HA ALA 6 -11.669 -7.541 1.286
33 1HB ALA 6 1HB ALA 6 -13.735 -7.085 -0.054
34 2HB ALA 6 2HB ALA 6 -14.264 -6.047 1.272
35 3HB ALA 6 3HB ALA 6 -13.989 -7.769 1.553
36 H ALA 7 H ALA 7 -9.990 -6.795 0.196
37 HA ALA 7 HA ALA 7 -10.237 -4.168 -1.137
38 1HB ALA 7 1HB ALA 7 -7.998 -3.723 -0.766
39 2HB ALA 7 2HB ALA 7 -7.590 -5.427 -0.557
40 3HB ALA 7 3HB ALA 7 -8.451 -4.561 0.719
41 H ILE 8 H ILE 8 -9.345 -3.952 -3.250
42 HA ILE 8 HA ILE 8 -9.264 -6.491 -4.714
43 HB ILE 8 HB ILE 8 -10.013 -3.718 -5.504
44 1HG1 ILE 8 2HG1 ILE 8 -11.403 -5.764 -6.896
45 2HG1 ILE 8 1HG1 ILE 8 -11.247 -6.279 -5.221
46 1HG2 ILE 8 1HG2 ILE 8 -8.540 -5.592 -7.246
47 2HG2 ILE 8 2HG2 ILE 8 -8.630 -3.834 -7.283
48 3HG2 ILE 8 3HG2 ILE 8 -9.955 -4.798 -7.933
49 1HD1 ILE 8 1HD1 ILE 8 -13.278 -5.122 -5.408
50 2HD1 ILE 8 2HD1 ILE 8 -12.512 -3.778 -6.260
51 3HD1 ILE 8 3HD1 ILE 8 -12.157 -4.060 -4.555
52 H PHE 9 H PHE 9 -7.438 -7.245 -5.477
53 HA PHE 9 HA PHE 9 -5.127 -5.406 -5.598
54 1HB PHE 9 2HB PHE 9 -5.114 -7.391 -3.946
55 2HB PHE 9 1HB PHE 9 -4.863 -8.389 -5.375
56 HD1 PHE 9 HD1 PHE 9 -2.679 -9.132 -5.298
57 HD2 PHE 9 HD2 PHE 9 -3.512 -5.038 -4.486
58 HE1 PHE 9 HE1 PHE 9 -0.265 -8.663 -5.208
59 HE2 PHE 9 HE2 PHE 9 -1.099 -4.560 -4.395
60 HZ PHE 9 HZ PHE 9 0.527 -6.375 -4.757
61 H GLU 10 H GLU 10 -4.107 -5.114 -7.475
62 HA GLU 10 HA GLU 10 -3.663 -5.207 -9.706
63 1HB GLU 10 2HB GLU 10 -4.085 -8.175 -9.352
64 2HB GLU 10 1HB GLU 10 -3.184 -7.391 -10.643
65 1HG GLU 10 2HG GLU 10 -1.583 -6.548 -8.971
66 2HG GLU 10 1HG GLU 10 -2.463 -7.426 -7.722
67 H LYS 11 H LYS 11 -6.391 -4.741 -8.937
68 HA LYS 11 HA LYS 11 -8.356 -4.387 -10.042
69 1HB LYS 11 2HB LYS 11 -7.340 -6.087 -12.320
70 2HB LYS 11 1HB LYS 11 -8.617 -4.880 -12.360
71 1HG LYS 11 2HG LYS 11 -6.971 -3.118 -11.971
72 2HG LYS 11 1HG LYS 11 -5.687 -4.329 -11.930
73 1HD LYS 11 2HD LYS 11 -5.696 -3.359 -14.111
74 2HD LYS 11 1HD LYS 11 -6.356 -4.990 -14.251
75 1HE LYS 11 2HE LYS 11 -8.611 -4.106 -14.294
76 2HE LYS 11 1HE LYS 11 -8.000 -2.470 -14.045
77 1HZ LYS 11 1HZ LYS 11 -8.547 -3.476 -16.439
78 2HZ LYS 11 2HZ LYS 11 -6.915 -3.904 -16.328
79 3HZ LYS 11 3HZ LYS 11 -7.373 -2.282 -16.186
80 H VAL 12 H VAL 12 -7.182 -7.172 -8.868
81 HA VAL 12 HA VAL 12 -9.545 -8.769 -9.508
82 HB VAL 12 HB VAL 12 -6.890 -9.512 -8.283
83 1HG1 VAL 12 1HG1 VAL 12 -9.413 -11.162 -8.437
84 2HG1 VAL 12 2HG1 VAL 12 -8.504 -10.728 -6.989
85 3HG1 VAL 12 3HG1 VAL 12 -7.809 -11.841 -8.167
86 1HG2 VAL 12 1HG2 VAL 12 -8.390 -10.299 -10.756
87 2HG2 VAL 12 2HG2 VAL 12 -6.925 -11.114 -10.201
88 3HG2 VAL 12 3HG2 VAL 12 -6.868 -9.408 -10.658
89 H SER 13 H SER 13 -10.692 -9.780 -7.791
90 HA SER 13 HA SER 13 -10.787 -7.996 -5.475
91 1HB SER 13 2HB SER 13 -13.008 -8.972 -5.054
92 2HB SER 13 1HB SER 13 -12.860 -8.233 -6.645
93 HG SER 13 HG SER 13 -12.388 -10.988 -6.294
94 H GLY 14 H GLY 14 -10.893 -8.674 -3.391
95 1HA GLY 14 2HA GLY 14 -10.853 -11.276 -2.403
96 2HA GLY 14 1HA GLY 14 -9.180 -10.781 -2.647
97 H ILE 15 H ILE 15 -9.589 -11.226 -0.114
98 HA ILE 15 HA ILE 15 -10.355 -8.646 1.045
99 HB ILE 15 HB ILE 15 -10.210 -11.352 2.373
100 1HG1 ILE 15 2HG1 ILE 15 -12.455 -11.455 2.170
101 2HG1 ILE 15 1HG1 ILE 15 -12.650 -9.797 2.718
102 1HG2 ILE 15 1HG2 ILE 15 -9.353 -9.705 3.933
103 2HG2 ILE 15 2HG2 ILE 15 -10.981 -10.180 4.423
104 3HG2 ILE 15 3HG2 ILE 15 -10.726 -8.641 3.598
105 1HD1 ILE 15 1HD1 ILE 15 -12.164 -10.743 -0.090
106 2HD1 ILE 15 2HD1 ILE 15 -12.137 -9.049 0.404
107 3HD1 ILE 15 3HD1 ILE 15 -13.617 -9.990 0.565
108 H ILE 16 H ILE 16 -9.025 -7.534 2.355
109 HA ILE 16 HA ILE 16 -6.226 -8.417 2.327
110 HB ILE 16 HB ILE 16 -7.470 -5.894 1.736
111 1HG1 ILE 16 2HG1 ILE 16 -4.553 -6.678 1.825
112 2HG1 ILE 16 1HG1 ILE 16 -5.640 -6.959 0.470
113 1HG2 ILE 16 1HG2 ILE 16 -7.214 -5.286 4.041
114 2HG2 ILE 16 2HG2 ILE 16 -6.065 -4.388 3.054
115 3HG2 ILE 16 3HG2 ILE 16 -5.517 -5.764 4.016
116 1HD1 ILE 16 1HD1 ILE 16 -5.402 -4.179 1.441
117 2HD1 ILE 16 2HD1 ILE 16 -5.583 -4.803 -0.200
118 3HD1 ILE 16 3HD1 ILE 16 -4.013 -4.868 0.599
119 H ALA 17 H ALA 17 -5.512 -9.179 4.189
120 HA ALA 17 HA ALA 17 -6.766 -8.201 6.665
121 1HB ALA 17 1HB ALA 17 -5.583 -10.938 6.287
122 2HB ALA 17 2HB ALA 17 -7.288 -10.565 6.007
123 3HB ALA 17 3HB ALA 17 -6.589 -10.361 7.618
124 H ILE 18 H ILE 18 -5.507 -7.563 8.311
125 HA ILE 18 HA ILE 18 -2.609 -7.538 7.824
126 HB ILE 18 HB ILE 18 -4.368 -5.629 9.364
127 1HG1 ILE 18 2HG1 ILE 18 -2.699 -5.301 6.864
128 2HG1 ILE 18 1HG1 ILE 18 -4.456 -5.388 6.931
129 1HG2 ILE 18 1HG2 ILE 18 -1.575 -6.180 9.702
130 2HG2 ILE 18 2HG2 ILE 18 -2.611 -5.051 10.577
131 3HG2 ILE 18 3HG2 ILE 18 -1.801 -4.539 9.096
132 1HD1 ILE 18 1HD1 ILE 18 -4.669 -3.259 7.684
133 2HD1 ILE 18 2HD1 ILE 18 -3.168 -3.096 6.768
134 3HD1 ILE 18 3HD1 ILE 18 -3.116 -3.279 8.522
135 H ASN 19 H ASN 19 -1.205 -8.222 9.387
136 HA ASN 19 HA ASN 19 -2.353 -9.161 11.927
137 1HB ASN 19 2HB ASN 19 -2.005 -11.036 10.259
138 2HB ASN 19 1HB ASN 19 -0.279 -10.711 10.374
139 1HD2 ASN 19 1HD2 ASN 19 -0.824 -13.139 10.994
140 2HD2 ASN 19 2HD2 ASN 19 -0.862 -13.420 12.698
141 H GLU 20 H GLU 20 -1.426 -7.989 13.467
142 HA GLU 20 HA GLU 20 1.296 -7.014 13.125
143 1HB GLU 20 2HB GLU 20 -0.685 -6.484 15.347
144 2HB GLU 20 1HB GLU 20 0.854 -5.664 15.120
145 1HG GLU 20 2HG GLU 20 0.048 -4.767 12.987
146 2HG GLU 20 1HG GLU 20 -1.502 -5.568 13.247
147 H ASP 21 H ASP 21 0.075 -9.829 14.127
148 HA ASP 21 HA ASP 21 1.517 -10.194 16.589
149 1HB ASP 21 2HB ASP 21 0.131 -12.150 14.745
150 2HB ASP 21 1HB ASP 21 0.848 -12.588 16.293
151 H VAL 22 H VAL 22 2.245 -10.316 13.265
152 HA VAL 22 HA VAL 22 4.573 -12.030 13.683
153 HB VAL 22 HB VAL 22 4.693 -11.441 11.055
154 1HG1 VAL 22 1HG1 VAL 22 4.346 -13.658 12.508
155 2HG1 VAL 22 2HG1 VAL 22 4.243 -13.635 10.748
156 3HG1 VAL 22 3HG1 VAL 22 2.771 -13.579 11.717
157 1HG2 VAL 22 1HG2 VAL 22 2.607 -10.072 11.241
158 2HG2 VAL 22 2HG2 VAL 22 1.739 -11.566 11.601
159 3HG2 VAL 22 3HG2 VAL 22 2.541 -11.366 10.043
160 H SER 23 H SER 23 6.656 -11.322 13.388
161 HA SER 23 HA SER 23 6.980 -8.415 13.072
162 1HB SER 23 2HB SER 23 7.725 -8.824 15.234
163 2HB SER 23 1HB SER 23 8.384 -10.406 14.817
164 HG SER 23 HG SER 23 9.439 -7.887 14.036
165 HA PRO 24 HA PRO 24 7.634 -6.996 12.052
166 1HB PRO 24 2HB PRO 24 7.741 -6.151 9.328
167 2HB PRO 24 1HB PRO 24 8.767 -5.629 10.662
168 1HG PRO 24 2HG PRO 24 9.609 -7.111 8.473
169 2HG PRO 24 1HG PRO 24 10.473 -6.971 10.014
170 1HD PRO 24 2HD PRO 24 8.732 -9.172 9.004
171 2HD PRO 24 1HD PRO 24 10.190 -9.255 10.018
172 H ALA 25 H ALA 25 5.520 -6.366 11.940
173 HA ALA 25 HA ALA 25 3.513 -8.052 11.171
174 1HB ALA 25 1HB ALA 25 3.467 -5.043 11.310
175 2HB ALA 25 2HB ALA 25 3.031 -6.187 12.581
176 3HB ALA 25 3HB ALA 25 2.025 -6.044 11.139
177 H GLU 26 H GLU 26 2.270 -8.416 9.362
178 HA GLU 26 HA GLU 26 2.976 -6.945 6.921
179 1HB GLU 26 2HB GLU 26 2.684 -9.947 7.017
180 2HB GLU 26 1HB GLU 26 3.169 -8.971 5.638
181 1HG GLU 26 2HG GLU 26 5.185 -8.281 6.955
182 2HG GLU 26 1HG GLU 26 4.722 -9.482 8.159
183 H LEU 27 H LEU 27 1.455 -7.431 5.113
184 HA LEU 27 HA LEU 27 -1.284 -7.862 6.109
185 1HB LEU 27 2HB LEU 27 -1.065 -5.537 5.620
186 2HB LEU 27 1HB LEU 27 -0.236 -5.862 4.111
187 HG LEU 27 HG LEU 27 -3.064 -6.780 4.482
188 1HD1 LEU 27 1HD1 LEU 27 -2.982 -4.397 5.129
189 2HD1 LEU 27 2HD1 LEU 27 -3.892 -4.677 3.646
190 3HD1 LEU 27 3HD1 LEU 27 -2.254 -4.025 3.566
191 1HD2 LEU 27 1HD2 LEU 27 -2.530 -7.552 2.446
192 2HD2 LEU 27 2HD2 LEU 27 -1.127 -6.493 2.304
193 3HD2 LEU 27 3HD2 LEU 27 -2.737 -5.878 1.928
194 H THR 28 H THR 28 -2.418 -9.413 5.075
195 HA THR 28 HA THR 28 -1.278 -10.459 2.568
196 HB THR 28 HB THR 28 -2.805 -11.983 4.683
197 HG1 THR 28 HG1 THR 28 -0.939 -12.482 5.508
198 1HG2 THR 28 1HG2 THR 28 -1.595 -12.806 2.079
199 2HG2 THR 28 2HG2 THR 28 -3.177 -13.198 2.753
200 3HG2 THR 28 3HG2 THR 28 -1.725 -13.943 3.421
201 H TRP 29 H TRP 29 -2.494 -10.421 0.830
202 HA TRP 29 HA TRP 29 -5.337 -9.802 1.058
203 1HB TRP 29 2HB TRP 29 -4.055 -8.270 -0.328
204 2HB TRP 29 1HB TRP 29 -3.397 -9.611 -1.260
205 HD1 TRP 29 HD1 TRP 29 -6.826 -8.022 -0.529
206 HE1 TRP 29 HE1 TRP 29 -8.296 -8.253 -2.634
207 HE3 TRP 29 HE3 TRP 29 -3.619 -10.725 -3.422
208 HZ2 TRP 29 HZ2 TRP 29 -8.104 -9.450 -5.191
209 HZ3 TRP 29 HZ3 TRP 29 -4.330 -11.383 -5.683
210 HH2 TRP 29 HH2 TRP 29 -6.525 -10.759 -6.547
211 H ARG 30 H ARG 30 -6.822 -11.314 0.572
212 HA ARG 30 HA ARG 30 -5.928 -13.684 -0.938
213 1HB ARG 30 2HB ARG 30 -6.191 -14.237 1.435
214 2HB ARG 30 1HB ARG 30 -7.842 -13.632 1.401
215 1HG ARG 30 2HG ARG 30 -8.017 -15.967 1.269
216 2HG ARG 30 1HG ARG 30 -8.299 -15.379 -0.372
217 1HD ARG 30 2HD ARG 30 -5.943 -15.857 -0.918
218 2HD ARG 30 1HD ARG 30 -5.717 -16.508 0.706
219 HE ARG 30 HE ARG 30 -7.859 -17.762 -0.733
220 1HH1 ARG 30 1HH1 ARG 30 -4.412 -17.764 -0.186
221 2HH1 ARG 30 2HH1 ARG 30 -4.216 -19.424 -0.641
222 1HH2 ARG 30 1HH2 ARG 30 -7.603 -19.945 -1.330
223 2HH2 ARG 30 2HH2 ARG 30 -6.027 -20.661 -1.291
224 H SER 31 H SER 31 -6.937 -13.824 -2.814
225 HA SER 31 HA SER 31 -8.977 -12.287 -3.767
226 1HB SER 31 2HB SER 31 -8.620 -15.191 -4.522
227 2HB SER 31 1HB SER 31 -9.279 -13.899 -5.524
228 HG SER 31 HG SER 31 -7.120 -12.898 -5.213
229 H THR 32 H THR 32 -11.234 -12.987 -4.396
230 HA THR 32 HA THR 32 -12.676 -13.687 -2.042
231 HB THR 32 HB THR 32 -14.305 -13.828 -4.408
232 HG1 THR 32 HG1 THR 32 -13.853 -11.714 -5.180
233 1HG2 THR 32 1HG2 THR 32 -15.430 -11.921 -3.485
234 2HG2 THR 32 2HG2 THR 32 -14.087 -11.618 -2.383
235 3HG2 THR 32 3HG2 THR 32 -15.072 -13.070 -2.195
236 H ASP 33 H ASP 33 -11.931 -15.209 -5.087
237 HA ASP 33 HA ASP 33 -13.320 -17.622 -4.409
238 1HB ASP 33 2HB ASP 33 -11.611 -16.893 -6.784
239 2HB ASP 33 1HB ASP 33 -12.421 -18.445 -6.599
240 H GLY 34 H GLY 34 -10.175 -16.338 -4.036
241 1HA GLY 34 2HA GLY 34 -8.475 -17.255 -2.720
242 2HA GLY 34 1HA GLY 34 -9.297 -18.807 -2.778
243 H ASP 35 H ASP 35 -8.514 -16.871 -5.603
244 HA ASP 35 HA ASP 35 -6.813 -19.063 -6.537
245 1HB ASP 35 2HB ASP 35 -8.166 -16.815 -8.035
246 2HB ASP 35 1HB ASP 35 -7.098 -17.997 -8.785
247 H LYS 36 H LYS 36 -6.691 -15.769 -5.548
248 HA LYS 36 HA LYS 36 -3.830 -15.706 -6.231
249 1HB LYS 36 2HB LYS 36 -5.420 -13.170 -6.210
250 2HB LYS 36 1HB LYS 36 -3.907 -13.530 -7.028
251 1HG LYS 36 2HG LYS 36 -5.743 -15.263 -8.181
252 2HG LYS 36 1HG LYS 36 -6.623 -13.746 -7.983
253 1HD LYS 36 2HD LYS 36 -3.944 -14.076 -9.333
254 2HD LYS 36 1HD LYS 36 -5.492 -13.855 -10.151
255 1HE LYS 36 2HE LYS 36 -5.674 -11.699 -8.753
256 2HE LYS 36 1HE LYS 36 -3.944 -11.901 -8.485
257 1HZ LYS 36 1HZ LYS 36 -4.750 -10.484 -10.460
258 2HZ LYS 36 2HZ LYS 36 -5.034 -11.968 -11.221
259 3HZ LYS 36 3HZ LYS 36 -3.473 -11.570 -10.705
260 H VAL 37 H VAL 37 -2.474 -14.990 -4.661
261 HA VAL 37 HA VAL 37 -3.625 -13.734 -2.277
262 HB VAL 37 HB VAL 37 -3.485 -16.157 -1.815
263 1HG1 VAL 37 1HG1 VAL 37 -1.347 -17.275 -1.655
264 2HG1 VAL 37 2HG1 VAL 37 -0.510 -15.806 -2.152
265 3HG1 VAL 37 3HG1 VAL 37 -1.567 -16.643 -3.288
266 1HG2 VAL 37 1HG2 VAL 37 -1.775 -14.223 -0.301
267 2HG2 VAL 37 2HG2 VAL 37 -1.919 -15.898 0.228
268 3HG2 VAL 37 3HG2 VAL 37 -3.357 -14.881 0.119
269 H HIS 38 H HIS 38 -2.409 -12.121 -1.484
270 HA HIS 38 HA HIS 38 0.410 -11.959 -2.302
271 1HB HIS 38 2HB HIS 38 -1.105 -10.454 -3.670
272 2HB HIS 38 1HB HIS 38 -1.397 -9.554 -2.186
273 HD1 HIS 38 HD1 HIS 38 1.641 -10.683 -4.193
274 HD2 HIS 38 HD2 HIS 38 0.310 -7.490 -1.889
275 HE1 HIS 38 HE1 HIS 38 3.477 -8.967 -4.296
276 HE2 HIS 38 HE2 HIS 38 2.687 -7.081 -2.824
277 H THR 39 H THR 39 1.808 -10.996 -0.873
278 HA THR 39 HA THR 39 0.707 -10.255 1.755
279 HB THR 39 HB THR 39 3.189 -11.920 1.289
280 HG1 THR 39 HG1 THR 39 0.611 -12.615 2.233
281 1HG2 THR 39 1HG2 THR 39 2.179 -10.529 3.632
282 2HG2 THR 39 2HG2 THR 39 3.762 -11.245 3.326
283 3HG2 THR 39 3HG2 THR 39 2.433 -12.255 3.898
284 H VAL 40 H VAL 40 1.535 -8.450 2.656
285 HA VAL 40 HA VAL 40 3.929 -7.265 1.409
286 HB VAL 40 HB VAL 40 1.462 -5.779 2.320
287 1HG1 VAL 40 1HG1 VAL 40 3.027 -3.963 1.006
288 2HG1 VAL 40 2HG1 VAL 40 4.230 -4.921 1.875
289 3HG1 VAL 40 3HG1 VAL 40 2.923 -4.131 2.761
290 1HG2 VAL 40 1HG2 VAL 40 2.661 -6.104 -0.431
291 2HG2 VAL 40 2HG2 VAL 40 1.260 -5.109 -0.023
292 3HG2 VAL 40 3HG2 VAL 40 1.178 -6.862 0.152
293 H VAL 41 H VAL 41 5.383 -6.311 2.732
294 HA VAL 41 HA VAL 41 5.122 -6.851 5.575
295 HB VAL 41 HB VAL 41 7.261 -7.385 4.702
296 1HG1 VAL 41 1HG1 VAL 41 7.115 -4.722 3.346
297 2HG1 VAL 41 2HG1 VAL 41 7.354 -6.320 2.640
298 3HG1 VAL 41 3HG1 VAL 41 8.650 -5.567 3.568
299 1HG2 VAL 41 1HG2 VAL 41 8.799 -5.707 5.814
300 2HG2 VAL 41 2HG2 VAL 41 7.557 -6.430 6.835
301 3HG2 VAL 41 3HG2 VAL 41 7.348 -4.791 6.218
302 H LEU 42 H LEU 42 4.209 -5.402 6.872
303 HA LEU 42 HA LEU 42 3.648 -2.748 5.996
304 1HB LEU 42 2HB LEU 42 3.277 -4.025 8.702
305 2HB LEU 42 1HB LEU 42 2.619 -2.473 8.220
306 HG LEU 42 HG LEU 42 1.900 -5.155 7.034
307 1HD1 LEU 42 1HD1 LEU 42 -0.157 -3.465 8.259
308 2HD1 LEU 42 2HD1 LEU 42 1.041 -4.101 9.386
309 3HD1 LEU 42 3HD1 LEU 42 0.106 -5.205 8.377
310 1HD2 LEU 42 1HD2 LEU 42 0.091 -3.725 5.925
311 2HD2 LEU 42 2HD2 LEU 42 1.720 -3.648 5.256
312 3HD2 LEU 42 3HD2 LEU 42 1.133 -2.350 6.294
313 H SER 43 H SER 43 6.055 -4.183 8.090
314 HA SER 43 HA SER 43 6.894 -1.988 9.539
315 1HB SER 43 2HB SER 43 7.823 -4.057 10.144
316 2HB SER 43 1HB SER 43 8.378 -4.388 8.504
317 HG SER 43 HG SER 43 10.015 -3.674 10.072
318 H THR 44 H THR 44 7.308 -2.596 6.174
319 HA THR 44 HA THR 44 9.409 -0.589 5.929
320 HB THR 44 HB THR 44 9.930 -1.510 3.932
321 HG1 THR 44 HG1 THR 44 7.172 -1.944 3.434
322 1HG2 THR 44 1HG2 THR 44 8.040 -3.692 4.741
323 2HG2 THR 44 2HG2 THR 44 9.671 -3.493 5.380
324 3HG2 THR 44 3HG2 THR 44 9.428 -3.826 3.665
325 H ILE 45 H ILE 45 6.004 -0.852 5.648
326 HA ILE 45 HA ILE 45 5.434 1.132 3.783
327 HB ILE 45 HB ILE 45 3.843 0.453 6.257
328 1HG1 ILE 45 2HG1 ILE 45 4.345 -1.487 4.791
329 2HG1 ILE 45 1HG1 ILE 45 2.628 -1.103 4.847
330 1HG2 ILE 45 1HG2 ILE 45 2.057 1.179 4.323
331 2HG2 ILE 45 2HG2 ILE 45 3.392 2.291 4.025
332 3HG2 ILE 45 3HG2 ILE 45 2.633 2.230 5.616
333 1HD1 ILE 45 1HD1 ILE 45 3.640 0.347 2.693
334 2HD1 ILE 45 2HD1 ILE 45 2.644 -1.107 2.637
335 3HD1 ILE 45 3HD1 ILE 45 4.404 -1.240 2.598
336 H ASP 46 H ASP 46 6.920 2.816 4.053
337 HA ASP 46 HA ASP 46 7.291 4.257 6.443
338 1HB ASP 46 2HB ASP 46 8.845 4.292 4.492
339 2HB ASP 46 1HB ASP 46 7.664 5.262 3.617
340 H LYS 47 H LYS 47 4.948 4.526 3.844
341 HA LYS 47 HA LYS 47 3.469 6.470 5.454
342 1HB LYS 47 2HB LYS 47 3.768 6.916 2.493
343 2HB LYS 47 1HB LYS 47 3.146 8.020 3.705
344 1HG LYS 47 2HG LYS 47 5.991 7.122 3.822
345 2HG LYS 47 1HG LYS 47 5.500 8.406 2.717
346 1HD LYS 47 2HD LYS 47 4.900 8.433 5.669
347 2HD LYS 47 1HD LYS 47 6.331 9.183 4.958
348 1HE LYS 47 2HE LYS 47 5.163 10.918 4.128
349 2HE LYS 47 1HE LYS 47 3.796 9.904 3.668
350 1HZ LYS 47 1HZ LYS 47 4.367 11.151 6.283
351 2HZ LYS 47 2HZ LYS 47 3.322 9.828 6.163
352 3HZ LYS 47 3HZ LYS 47 2.966 11.263 5.341
353 H LEU 48 H LEU 48 1.240 6.508 5.087
354 HA LEU 48 HA LEU 48 0.175 4.471 3.277
355 1HB LEU 48 2HB LEU 48 -0.548 3.210 4.952
356 2HB LEU 48 1HB LEU 48 0.210 4.300 6.092
357 HG LEU 48 HG LEU 48 -2.026 5.658 5.747
358 1HD1 LEU 48 1HD1 LEU 48 -2.640 3.673 4.081
359 2HD1 LEU 48 2HD1 LEU 48 -3.855 4.526 5.032
360 3HD1 LEU 48 3HD1 LEU 48 -3.239 2.968 5.583
361 1HD2 LEU 48 1HD2 LEU 48 -2.986 4.074 7.610
362 2HD2 LEU 48 2HD2 LEU 48 -1.569 5.079 7.914
363 3HD2 LEU 48 3HD2 LEU 48 -1.372 3.371 7.529
364 H GLN 49 H GLN 49 -1.354 5.247 1.975
365 HA GLN 49 HA GLN 49 -2.913 7.568 2.866
366 1HB GLN 49 2HB GLN 49 -1.019 8.350 1.468
367 2HB GLN 49 1HB GLN 49 -1.607 7.347 0.151
368 1HG GLN 49 2HG GLN 49 -3.679 8.634 0.088
369 2HG GLN 49 1HG GLN 49 -3.094 9.637 1.415
370 1HE2 GLN 49 1HE2 GLN 49 -3.045 9.067 -1.949
371 2HE2 GLN 49 2HE2 GLN 49 -1.983 10.358 -2.386
372 H ALA 50 H ALA 50 -4.868 7.934 1.633
373 HA ALA 50 HA ALA 50 -5.809 5.744 -0.036
374 1HB ALA 50 1HB ALA 50 -7.190 4.805 1.431
375 2HB ALA 50 2HB ALA 50 -7.839 6.369 1.924
376 3HB ALA 50 3HB ALA 50 -6.376 5.741 2.683
377 H THR 51 H THR 51 -8.026 6.233 -0.913
378 HA THR 51 HA THR 51 -8.048 8.922 -1.905
379 HB THR 51 HB THR 51 -10.029 8.200 -3.181
380 HG1 THR 51 HG1 THR 51 -11.144 6.798 -2.022
381 1HG2 THR 51 1HG2 THR 51 -8.046 7.633 -4.290
382 2HG2 THR 51 2HG2 THR 51 -9.031 6.171 -4.314
383 3HG2 THR 51 3HG2 THR 51 -7.698 6.318 -3.169
384 HA PRO 52 HA PRO 52 -10.719 10.837 1.036
385 1HB PRO 52 2HB PRO 52 -12.035 12.613 -0.569
386 2HB PRO 52 1HB PRO 52 -10.372 12.840 -0.017
387 1HG PRO 52 2HG PRO 52 -11.374 11.800 -2.639
388 2HG PRO 52 1HG PRO 52 -10.048 12.934 -2.316
389 1HD PRO 52 2HD PRO 52 -9.602 10.336 -2.871
390 2HD PRO 52 1HD PRO 52 -8.576 11.245 -1.742
391 H ALA 53 H ALA 53 -12.817 10.789 1.806
392 HA ALA 53 HA ALA 53 -14.500 8.740 0.854
393 1HB ALA 53 1HB ALA 53 -15.604 10.893 2.588
394 2HB ALA 53 2HB ALA 53 -14.291 9.893 3.212
395 3HB ALA 53 3HB ALA 53 -15.801 9.144 2.694
396 H SER 54 H SER 54 -14.516 12.230 0.392
397 HA SER 54 HA SER 54 -17.063 12.497 -0.733
398 1HB SER 54 2HB SER 54 -15.637 14.402 -0.009
399 2HB SER 54 1HB SER 54 -14.595 14.113 -1.401
400 HG SER 54 HG SER 54 -15.938 15.278 -2.497
401 H SER 55 H SER 55 -14.125 11.253 -2.041
402 HA SER 55 HA SER 55 -15.031 11.388 -4.773
403 1HB SER 55 2HB SER 55 -12.634 11.706 -4.201
404 2HB SER 55 1HB SER 55 -12.577 10.037 -3.636
405 HG SER 55 HG SER 55 -12.743 9.324 -5.666
406 H GLU 56 H GLU 56 -16.385 9.954 -5.581
407 HA GLU 56 HA GLU 56 -17.228 7.624 -4.302
408 1HB GLU 56 2HB GLU 56 -18.461 8.794 -6.122
409 2HB GLU 56 1HB GLU 56 -17.277 8.185 -7.272
410 1HG GLU 56 2HG GLU 56 -17.925 5.882 -6.668
411 2HG GLU 56 1HG GLU 56 -19.164 6.539 -5.600
412 H LYS 57 H LYS 57 -14.383 8.258 -6.079
413 HA LYS 57 HA LYS 57 -13.878 5.501 -6.802
414 1HB LYS 57 2HB LYS 57 -12.091 7.934 -6.938
415 2HB LYS 57 1HB LYS 57 -11.711 6.356 -7.612
416 1HG LYS 57 2HG LYS 57 -14.155 6.914 -8.728
417 2HG LYS 57 1HG LYS 57 -13.372 8.495 -8.674
418 1HD LYS 57 2HD LYS 57 -11.332 7.260 -9.671
419 2HD LYS 57 1HD LYS 57 -12.497 5.999 -10.082
420 1HE LYS 57 2HE LYS 57 -12.036 7.710 -11.882
421 2HE LYS 57 1HE LYS 57 -13.733 7.461 -11.469
422 1HZ LYS 57 1HZ LYS 57 -12.325 9.559 -10.017
423 2HZ LYS 57 2HZ LYS 57 -13.914 9.521 -10.594
424 3HZ LYS 57 3HZ LYS 57 -12.640 9.857 -11.653
425 H MET 58 H MET 58 -12.857 4.036 -5.587
426 HA MET 58 HA MET 58 -11.666 4.935 -3.061
427 1HB MET 58 2HB MET 58 -13.441 2.874 -3.631
428 2HB MET 58 1HB MET 58 -11.905 2.059 -3.384
429 1HG MET 58 2HG MET 58 -11.748 2.712 -1.191
430 2HG MET 58 1HG MET 58 -12.789 4.115 -1.421
431 1HE MET 58 1HE MET 58 -14.967 3.616 -2.676
432 2HE MET 58 2HE MET 58 -16.149 3.177 -1.438
433 3HE MET 58 3HE MET 58 -15.752 2.033 -2.724
434 H MET 59 H MET 59 -9.617 4.163 -2.389
435 HA MET 59 HA MET 59 -7.986 2.393 -3.778
436 1HB MET 59 2HB MET 59 -8.292 4.615 -5.322
437 2HB MET 59 1HB MET 59 -6.850 5.037 -4.412
438 1HG MET 59 2HG MET 59 -5.654 3.840 -5.824
439 2HG MET 59 1HG MET 59 -6.479 2.392 -5.249
440 1HE MET 59 1HE MET 59 -7.623 4.963 -8.844
441 2HE MET 59 2HE MET 59 -6.959 5.496 -7.299
442 3HE MET 59 3HE MET 59 -8.680 5.137 -7.443
443 H LEU 60 H LEU 60 -6.153 1.970 -2.660
444 HA LEU 60 HA LEU 60 -5.384 3.858 -0.533
445 1HB LEU 60 2HB LEU 60 -6.659 1.812 0.263
446 2HB LEU 60 1HB LEU 60 -5.291 0.854 -0.272
447 HG LEU 60 HG LEU 60 -3.940 2.496 1.294
448 1HD1 LEU 60 1HD1 LEU 60 -6.756 2.970 1.995
449 2HD1 LEU 60 2HD1 LEU 60 -5.331 3.978 2.252
450 3HD1 LEU 60 3HD1 LEU 60 -5.680 2.648 3.357
451 1HD2 LEU 60 1HD2 LEU 60 -5.632 0.199 2.272
452 2HD2 LEU 60 2HD2 LEU 60 -4.256 0.884 3.136
453 3HD2 LEU 60 3HD2 LEU 60 -4.013 0.097 1.576
454 H ARG 61 H ARG 61 -3.326 4.480 -0.675
455 HA ARG 61 HA ARG 61 -1.489 2.821 -2.272
456 1HB ARG 61 2HB ARG 61 -1.601 5.790 -1.784
457 2HB ARG 61 1HB ARG 61 -0.172 5.006 -2.444
458 1HG ARG 61 2HG ARG 61 -2.914 4.857 -3.677
459 2HG ARG 61 1HG ARG 61 -1.657 5.999 -4.158
460 1HD ARG 61 2HD ARG 61 -0.178 3.963 -4.537
461 2HD ARG 61 1HD ARG 61 -1.651 3.004 -4.403
462 HE ARG 61 HE ARG 61 -2.265 3.716 -6.491
463 1HH1 ARG 61 1HH1 ARG 61 0.318 5.746 -5.316
464 2HH1 ARG 61 2HH1 ARG 61 0.535 6.561 -6.830
465 1HH2 ARG 61 1HH2 ARG 61 -1.983 4.786 -8.482
466 2HH2 ARG 61 2HH2 ARG 61 -0.772 6.015 -8.627
467 H LEU 62 H LEU 62 0.120 1.838 -1.275
468 HA LEU 62 HA LEU 62 0.927 2.776 1.402
469 1HB LEU 62 2HB LEU 62 1.051 0.054 0.112
470 2HB LEU 62 1HB LEU 62 1.883 0.435 1.604
471 HG LEU 62 HG LEU 62 -0.002 0.308 2.849
472 1HD1 LEU 62 1HD1 LEU 62 -2.209 1.036 2.182
473 2HD1 LEU 62 2HD1 LEU 62 -1.663 1.258 0.518
474 3HD1 LEU 62 3HD1 LEU 62 -1.026 2.288 1.802
475 1HD2 LEU 62 1HD2 LEU 62 0.155 -1.785 1.488
476 2HD2 LEU 62 2HD2 LEU 62 -1.083 -1.112 0.426
477 3HD2 LEU 62 3HD2 LEU 62 -1.454 -1.434 2.121
478 H ILE 63 H ILE 63 2.937 3.554 1.661
479 HA ILE 63 HA ILE 63 4.824 3.239 -0.575
480 HB ILE 63 HB ILE 63 5.507 5.170 1.539
481 1HG1 ILE 63 2HG1 ILE 63 3.081 5.530 1.426
482 2HG1 ILE 63 1HG1 ILE 63 3.967 6.895 0.758
483 1HG2 ILE 63 1HG2 ILE 63 6.105 6.542 -0.406
484 2HG2 ILE 63 2HG2 ILE 63 5.452 5.293 -1.468
485 3HG2 ILE 63 3HG2 ILE 63 6.849 4.941 -0.447
486 1HD1 ILE 63 1HD1 ILE 63 2.045 6.418 -0.568
487 2HD1 ILE 63 2HD1 ILE 63 2.563 4.748 -0.791
488 3HD1 ILE 63 3HD1 ILE 63 3.503 6.065 -1.490
489 H GLY 64 H GLY 64 6.520 1.938 -0.306
490 1HA GLY 64 2HA GLY 64 7.060 0.678 2.195
491 2HA GLY 64 1HA GLY 64 8.030 0.542 0.734
492 H LYS 65 H LYS 65 10.058 1.037 1.234
493 HA LYS 65 HA LYS 65 10.555 3.538 2.695
494 1HB LYS 65 2HB LYS 65 12.069 0.942 3.037
495 2HB LYS 65 1HB LYS 65 12.498 2.474 3.786
496 1HG LYS 65 2HG LYS 65 10.009 2.303 4.678
497 2HG LYS 65 1HG LYS 65 10.317 0.582 4.441
498 1HD LYS 65 2HD LYS 65 11.776 0.480 6.156
499 2HD LYS 65 1HD LYS 65 12.472 2.060 5.788
500 1HE LYS 65 2HE LYS 65 11.308 2.964 7.448
501 2HE LYS 65 1HE LYS 65 9.804 2.462 6.673
502 1HZ LYS 65 1HZ LYS 65 9.570 0.730 8.062
503 2HZ LYS 65 2HZ LYS 65 10.587 1.623 9.075
504 3HZ LYS 65 3HZ LYS 65 11.225 0.385 8.115
505 H VAL 66 H VAL 66 12.580 4.576 2.179
506 HA VAL 66 HA VAL 66 13.650 3.745 -0.438
507 HB VAL 66 HB VAL 66 12.260 5.950 -0.219
508 1HG1 VAL 66 1HG1 VAL 66 14.851 7.282 0.274
509 2HG1 VAL 66 2HG1 VAL 66 13.996 6.628 1.672
510 3HG1 VAL 66 3HG1 VAL 66 13.210 7.819 0.636
511 1HG2 VAL 66 1HG2 VAL 66 14.213 5.031 -1.979
512 2HG2 VAL 66 2HG2 VAL 66 14.596 6.731 -1.702
513 3HG2 VAL 66 3HG2 VAL 66 12.997 6.270 -2.284
514 H ASP 67 H ASP 67 15.726 5.582 -0.568
515 HA ASP 67 HA ASP 67 17.397 5.730 1.661
516 1HB ASP 67 2HB ASP 67 17.384 3.237 1.436
517 2HB ASP 67 1HB ASP 67 18.093 3.418 -0.166
518 H GLU 68 H GLU 68 17.348 7.764 0.435
519 HA GLU 68 HA GLU 68 18.341 8.112 -2.124
520 1HB GLU 68 2HB GLU 68 18.520 9.963 0.255
521 2HB GLU 68 1HB GLU 68 18.888 10.443 -1.397
522 1HG GLU 68 2HG GLU 68 16.736 11.145 -1.272
523 2HG GLU 68 1HG GLU 68 16.465 9.498 -1.838
524 H SER 69 H SER 69 20.033 7.326 0.757
525 HA SER 69 HA SER 69 22.579 8.317 0.194
526 1HB SER 69 2HB SER 69 21.872 5.748 1.631
527 2HB SER 69 1HB SER 69 23.410 6.603 1.737
528 HG SER 69 HG SER 69 20.870 7.522 2.601
529 H LYS 70 H LYS 70 20.800 5.840 -1.352
530 HA LYS 70 HA LYS 70 23.008 4.304 -2.314
531 1HB LYS 70 2HB LYS 70 20.161 4.509 -3.310
532 2HB LYS 70 1HB LYS 70 21.334 3.322 -3.863
533 1HG LYS 70 2HG LYS 70 21.400 3.007 -1.139
534 2HG LYS 70 1HG LYS 70 19.700 3.358 -1.456
535 1HD LYS 70 2HD LYS 70 21.269 1.289 -2.981
536 2HD LYS 70 1HD LYS 70 20.347 0.921 -1.522
537 1HE LYS 70 2HE LYS 70 18.766 0.446 -3.095
538 2HE LYS 70 1HE LYS 70 18.429 2.158 -2.849
539 1HZ LYS 70 1HZ LYS 70 19.388 2.725 -4.846
540 2HZ LYS 70 2HZ LYS 70 18.688 1.234 -5.235
541 3HZ LYS 70 3HZ LYS 70 20.348 1.333 -4.921
542 H LYS 71 H LYS 71 20.754 6.474 -4.036
543 HA LYS 71 HA LYS 71 21.025 7.828 -5.841
544 1HB LYS 71 2HB LYS 71 23.703 7.835 -4.570
545 2HB LYS 71 1HB LYS 71 23.624 8.409 -6.230
546 1HG LYS 71 2HG LYS 71 21.744 9.462 -4.156
547 2HG LYS 71 1HG LYS 71 23.381 10.105 -4.313
548 1HD LYS 71 2HD LYS 71 22.920 10.582 -6.698
549 2HD LYS 71 1HD LYS 71 21.261 10.031 -6.459
550 1HE LYS 71 2HE LYS 71 20.848 12.202 -6.047
551 2HE LYS 71 1HE LYS 71 21.498 11.832 -4.449
552 1HZ LYS 71 1HZ LYS 71 22.598 13.758 -5.224
553 2HZ LYS 71 2HZ LYS 71 22.923 13.071 -6.735
554 3HZ LYS 71 3HZ LYS 71 23.716 12.494 -5.357
555 H ARG 72 H ARG 72 20.376 6.423 -7.420
556 HA ARG 72 HA ARG 72 22.379 4.686 -8.660
557 1HB ARG 72 2HB ARG 72 19.379 4.848 -8.858
558 2HB ARG 72 1HB ARG 72 20.332 3.899 -9.992
559 1HG ARG 72 2HG ARG 72 21.287 3.064 -7.559
560 2HG ARG 72 1HG ARG 72 19.570 3.321 -7.244
561 1HD ARG 72 2HD ARG 72 19.163 1.984 -9.383
562 2HD ARG 72 1HD ARG 72 20.856 1.506 -9.260
563 HE ARG 72 HE ARG 72 19.876 0.908 -6.815
564 1HH1 ARG 72 1HH1 ARG 72 18.823 0.132 -10.051
565 2HH1 ARG 72 2HH1 ARG 72 18.114 -1.380 -9.592
566 1HH2 ARG 72 1HH2 ARG 72 18.945 -1.080 -6.210
567 2HH2 ARG 72 2HH2 ARG 72 18.183 -2.068 -7.412
568 H LYS 73 H LYS 73 23.039 4.891 -10.769
569 HA LYS 73 HA LYS 73 22.763 7.504 -11.940
570 1HB LYS 73 2HB LYS 73 24.189 5.027 -12.921
571 2HB LYS 73 1HB LYS 73 24.270 6.602 -13.699
572 1HG LYS 73 2HG LYS 73 25.003 6.378 -10.824
573 2HG LYS 73 1HG LYS 73 26.141 5.820 -12.051
574 1HD LYS 73 2HD LYS 73 25.848 8.073 -13.163
575 2HD LYS 73 1HD LYS 73 24.996 8.582 -11.703
576 1HE LYS 73 2HE LYS 73 26.944 8.174 -10.358
577 2HE LYS 73 1HE LYS 73 27.795 7.463 -11.729
578 1HZ LYS 73 1HZ LYS 73 28.066 9.999 -10.983
579 2HZ LYS 73 2HZ LYS 73 26.819 10.171 -12.111
580 3HZ LYS 73 3HZ LYS 73 28.286 9.472 -12.576
581 H ASP 74 H ASP 74 21.803 8.044 -13.880
582 HA ASP 74 HA ASP 74 19.703 6.203 -14.753
583 1HB ASP 74 2HB ASP 74 18.718 8.181 -15.860
584 2HB ASP 74 1HB ASP 74 18.966 8.439 -14.136
585 H ASN 75 H ASN 75 19.144 6.554 -17.206
586 HA ASN 75 HA ASN 75 21.210 5.392 -18.695
587 1HB ASN 75 2HB ASN 75 18.701 6.797 -19.627
588 2HB ASN 75 1HB ASN 75 19.749 5.840 -20.669
589 1HD2 ASN 75 1HD2 ASN 75 17.086 5.249 -20.366
590 2HD2 ASN 75 2HD2 ASN 75 16.922 3.751 -19.520
591 H GLU 76 H GLU 76 20.593 8.677 -17.950
592 HA GLU 76 HA GLU 76 22.083 9.710 -20.211
593 1HB GLU 76 2HB GLU 76 20.803 11.042 -17.827
594 2HB GLU 76 1HB GLU 76 21.714 11.921 -19.046
595 1HG GLU 76 2HG GLU 76 19.295 10.235 -19.635
596 2HG GLU 76 1HG GLU 76 19.254 11.976 -19.364
597 H GLY 77 H GLY 77 23.103 8.100 -17.636
598 1HA GLY 77 2HA GLY 77 25.204 7.900 -16.714
599 2HA GLY 77 1HA GLY 77 25.726 9.234 -17.731
600 H ASN 78 H ASN 78 22.970 9.950 -15.867
601 HA ASN 78 HA ASN 78 24.650 11.444 -13.966
602 1HB ASN 78 2HB ASN 78 21.843 12.044 -14.926
603 2HB ASN 78 1HB ASN 78 22.737 12.992 -13.739
604 1HD2 ASN 78 1HD2 ASN 78 21.958 12.688 -16.947
605 2HD2 ASN 78 2HD2 ASN 78 23.178 13.708 -17.623
606 H GLU 79 H GLU 79 24.150 11.434 -11.788
607 HA GLU 79 HA GLU 79 22.918 9.058 -10.812
608 1HB GLU 79 2HB GLU 79 23.916 11.513 -9.359
609 2HB GLU 79 1HB GLU 79 23.385 10.038 -8.565
610 1HG GLU 79 2HG GLU 79 25.163 8.799 -9.724
611 2HG GLU 79 1HG GLU 79 25.714 10.307 -10.451
612 H VAL 80 H VAL 80 21.016 8.774 -9.713
613 HA VAL 80 HA VAL 80 19.213 11.066 -9.407
614 HB VAL 80 HB VAL 80 17.452 10.203 -10.620
615 1HG1 VAL 80 1HG1 VAL 80 19.410 10.788 -12.075
616 2HG1 VAL 80 2HG1 VAL 80 18.218 9.718 -12.813
617 3HG1 VAL 80 3HG1 VAL 80 19.738 9.060 -12.208
618 1HG2 VAL 80 1HG2 VAL 80 18.758 7.494 -10.402
619 2HG2 VAL 80 2HG2 VAL 80 17.344 7.816 -11.405
620 3HG2 VAL 80 3HG2 VAL 80 17.249 8.030 -9.655
621 H VAL 81 H VAL 81 17.565 10.772 -7.938
622 HA VAL 81 HA VAL 81 18.178 8.904 -5.816
623 HB VAL 81 HB VAL 81 17.702 11.115 -5.101
624 1HG1 VAL 81 1HG1 VAL 81 15.137 10.966 -6.671
625 2HG1 VAL 81 2HG1 VAL 81 16.566 11.915 -7.089
626 3HG1 VAL 81 3HG1 VAL 81 15.637 12.306 -5.640
627 1HG2 VAL 81 1HG2 VAL 81 15.046 9.921 -4.501
628 2HG2 VAL 81 2HG2 VAL 81 16.211 10.691 -3.422
629 3HG2 VAL 81 3HG2 VAL 81 16.489 9.045 -3.989
630 HA PRO 82 HA PRO 82 15.301 6.019 -7.786
631 1HB PRO 82 2HB PRO 82 15.805 4.558 -5.242
632 2HB PRO 82 1HB PRO 82 15.906 3.984 -6.910
633 1HG PRO 82 2HG PRO 82 18.114 4.476 -5.501
634 2HG PRO 82 1HG PRO 82 18.022 4.874 -7.229
635 1HD PRO 82 2HD PRO 82 17.828 6.677 -4.853
636 2HD PRO 82 1HD PRO 82 18.607 6.957 -6.422
637 H LYS 83 H LYS 83 13.144 5.574 -7.505
638 HA LYS 83 HA LYS 83 11.787 7.069 -5.431
639 1HB LYS 83 2HB LYS 83 10.888 5.540 -7.861
640 2HB LYS 83 1HB LYS 83 9.725 6.060 -6.648
641 1HG LYS 83 2HG LYS 83 9.947 8.266 -7.176
642 2HG LYS 83 1HG LYS 83 11.613 8.081 -7.727
643 1HD LYS 83 2HD LYS 83 9.482 6.706 -9.274
644 2HD LYS 83 1HD LYS 83 9.599 8.462 -9.418
645 1HE LYS 83 2HE LYS 83 12.028 8.169 -9.946
646 2HE LYS 83 1HE LYS 83 11.746 6.429 -9.997
647 1HZ LYS 83 1HZ LYS 83 9.986 8.083 -11.623
648 2HZ LYS 83 2HZ LYS 83 10.663 6.571 -11.956
649 3HZ LYS 83 3HZ LYS 83 11.593 7.971 -12.135
650 HA PRO 84 HA PRO 84 11.135 3.750 -2.648
651 1HB PRO 84 2HB PRO 84 8.673 5.061 -1.782
652 2HB PRO 84 1HB PRO 84 10.195 4.840 -0.910
653 1HG PRO 84 2HG PRO 84 9.446 7.243 -1.773
654 2HG PRO 84 1HG PRO 84 11.142 6.757 -1.813
655 1HD PRO 84 2HD PRO 84 9.129 6.734 -4.040
656 2HD PRO 84 1HD PRO 84 10.779 7.398 -4.026
657 H GLN 85 H GLN 85 9.720 1.997 -2.103
658 HA GLN 85 HA GLN 85 8.237 0.988 -4.287
659 1HB GLN 85 2HB GLN 85 8.975 0.097 -1.597
660 2HB GLN 85 1HB GLN 85 7.403 -0.495 -2.116
661 1HG GLN 85 2HG GLN 85 8.277 -1.853 -3.685
662 2HG GLN 85 1HG GLN 85 9.582 -0.736 -4.083
663 1HE2 GLN 85 1HE2 GLN 85 11.446 -1.709 -3.774
664 2HE2 GLN 85 2HE2 GLN 85 11.874 -2.692 -2.420
665 H ARG 86 H ARG 86 6.093 0.991 -4.740
666 HA ARG 86 HA ARG 86 4.265 2.171 -2.768
667 1HB ARG 86 2HB ARG 86 4.493 2.951 -5.678
668 2HB ARG 86 1HB ARG 86 3.154 3.416 -4.635
669 1HG ARG 86 2HG ARG 86 4.691 4.624 -3.181
670 2HG ARG 86 1HG ARG 86 6.045 4.143 -4.207
671 1HD ARG 86 2HD ARG 86 3.684 5.810 -5.077
672 2HD ARG 86 1HD ARG 86 5.285 6.432 -4.681
673 HE ARG 86 HE ARG 86 6.087 5.620 -6.693
674 1HH1 ARG 86 1HH1 ARG 86 2.797 4.553 -6.199
675 2HH1 ARG 86 2HH1 ARG 86 2.599 4.013 -7.831
676 1HH2 ARG 86 1HH2 ARG 86 5.821 4.911 -8.837
677 2HH2 ARG 86 2HH2 ARG 86 4.313 4.215 -9.327
678 H HIS 87 H HIS 87 2.271 1.274 -2.670
679 HA HIS 87 HA HIS 87 1.668 -0.868 -4.602
680 1HB HIS 87 2HB HIS 87 0.903 -0.744 -1.677
681 2HB HIS 87 1HB HIS 87 0.489 -2.040 -2.795
682 HD1 HIS 87 HD1 HIS 87 2.459 -3.595 -3.572
683 HD2 HIS 87 HD2 HIS 87 3.437 -0.881 -0.583
684 HE1 HIS 87 HE1 HIS 87 4.648 -4.397 -2.627
685 HE2 HIS 87 HE2 HIS 87 5.263 -2.688 -0.881
686 H MET 88 H MET 88 -0.614 -1.248 -5.026
687 HA MET 88 HA MET 88 -2.333 1.057 -4.417
688 1HB MET 88 2HB MET 88 -1.405 1.346 -6.677
689 2HB MET 88 1HB MET 88 -2.044 -0.226 -7.138
690 1HG MET 88 2HG MET 88 -4.326 0.634 -6.648
691 2HG MET 88 1HG MET 88 -3.615 2.224 -6.380
692 1HE MET 88 1HE MET 88 -5.743 0.741 -8.142
693 2HE MET 88 2HE MET 88 -5.282 0.364 -9.801
694 3HE MET 88 3HE MET 88 -5.848 1.984 -9.389
695 H PHE 89 H PHE 89 -4.140 0.424 -3.483
696 HA PHE 89 HA PHE 89 -5.289 -2.183 -4.229
697 1HB PHE 89 2HB PHE 89 -5.125 -0.958 -1.469
698 2HB PHE 89 1HB PHE 89 -6.078 -2.383 -1.865
699 HD1 PHE 89 HD1 PHE 89 -5.013 -4.502 -2.332
700 HD2 PHE 89 HD2 PHE 89 -2.712 -1.052 -1.378
701 HE1 PHE 89 HE1 PHE 89 -3.047 -5.927 -1.940
702 HE2 PHE 89 HE2 PHE 89 -0.740 -2.471 -0.985
703 HZ PHE 89 HZ PHE 89 -0.907 -4.912 -1.265
704 H SER 90 H SER 90 -7.405 -2.174 -4.745
705 HA SER 90 HA SER 90 -8.835 0.378 -4.462
706 1HB SER 90 2HB SER 90 -10.250 -1.339 -6.214
707 2HB SER 90 1HB SER 90 -9.335 0.110 -6.628
708 HG SER 90 HG SER 90 -7.552 -1.131 -7.024
709 H PHE 91 H PHE 91 -10.684 0.512 -3.339
710 HA PHE 91 HA PHE 91 -11.860 -1.987 -2.311
711 1HB PHE 91 2HB PHE 91 -11.588 0.660 -0.867
712 2HB PHE 91 1HB PHE 91 -12.428 -0.753 -0.242
713 HD1 PHE 91 HD1 PHE 91 -11.290 -1.985 1.311
714 HD2 PHE 91 HD2 PHE 91 -9.084 0.047 -1.711
715 HE1 PHE 91 HE1 PHE 91 -9.188 -2.791 2.306
716 HE2 PHE 91 HE2 PHE 91 -6.981 -0.760 -0.722
717 HZ PHE 91 HZ PHE 91 -7.031 -2.180 1.288
718 H ASN 92 H ASN 92 -14.173 -1.575 -1.483
719 HA ASN 92 HA ASN 92 -15.537 0.258 -3.340
720 1HB ASN 92 2HB ASN 92 -16.734 -2.323 -2.367
721 2HB ASN 92 1HB ASN 92 -17.281 -1.292 -3.685
722 1HD2 ASN 92 1HD2 ASN 92 -14.915 -0.830 -5.002
723 2HD2 ASN 92 2HD2 ASN 92 -14.336 -2.310 -5.678
724 H ASN 93 H ASN 93 -15.216 -0.888 -0.116
725 HA ASN 93 HA ASN 93 -17.526 0.721 0.732
726 1HB ASN 93 2HB ASN 93 -16.046 -1.484 2.184
727 2HB ASN 93 1HB ASN 93 -17.365 -0.541 2.873
728 1HD2 ASN 93 1HD2 ASN 93 -16.881 -3.452 1.984
729 2HD2 ASN 93 2HD2 ASN 93 -18.326 -3.839 1.120
730 H ARG 94 H ARG 94 -16.740 2.750 0.962
731 HA ARG 94 HA ARG 94 -14.230 3.582 1.648
732 1HB ARG 94 2HB ARG 94 -16.923 4.806 2.157
733 2HB ARG 94 1HB ARG 94 -15.451 5.615 2.681
734 1HG ARG 94 2HG ARG 94 -15.540 6.573 0.659
735 2HG ARG 94 1HG ARG 94 -14.831 5.054 0.106
736 1HD ARG 94 2HD ARG 94 -16.595 5.113 -1.314
737 2HD ARG 94 1HD ARG 94 -17.409 4.359 0.057
738 HE ARG 94 HE ARG 94 -18.634 6.279 0.355
739 1HH1 ARG 94 1HH1 ARG 94 -16.015 6.919 -1.864
740 2HH1 ARG 94 2HH1 ARG 94 -16.614 8.479 -2.315
741 1HH2 ARG 94 1HH2 ARG 94 -19.423 8.330 -0.240
742 2HH2 ARG 94 2HH2 ARG 94 -18.549 9.280 -1.394
743 H THR 95 H THR 95 -16.705 2.336 3.737
744 HA THR 95 HA THR 95 -15.586 3.157 6.191
745 HB THR 95 HB THR 95 -17.215 0.746 6.154
746 HG1 THR 95 HG1 THR 95 -18.280 3.148 5.120
747 1HG2 THR 95 1HG2 THR 95 -16.868 2.138 8.157
748 2HG2 THR 95 2HG2 THR 95 -18.566 1.919 7.733
749 3HG2 THR 95 3HG2 THR 95 -17.746 3.433 7.347
750 H VAL 96 H VAL 96 -15.526 0.093 4.386
751 HA VAL 96 HA VAL 96 -13.988 -1.342 6.249
752 HB VAL 96 HB VAL 96 -14.061 -1.726 3.248
753 1HG1 VAL 96 1HG1 VAL 96 -12.293 -3.039 3.944
754 2HG1 VAL 96 2HG1 VAL 96 -13.647 -4.163 4.058
755 3HG1 VAL 96 3HG1 VAL 96 -13.026 -3.381 5.510
756 1HG2 VAL 96 1HG2 VAL 96 -15.826 -3.357 3.672
757 2HG2 VAL 96 2HG2 VAL 96 -16.303 -1.752 4.226
758 3HG2 VAL 96 3HG2 VAL 96 -15.781 -2.969 5.391
759 H MET 97 H MET 97 -13.000 0.434 3.321
760 HA MET 97 HA MET 97 -10.240 -0.019 3.655
761 1HB MET 97 2HB MET 97 -11.470 0.888 1.584
762 2HB MET 97 1HB MET 97 -11.384 2.457 2.376
763 1HG MET 97 2HG MET 97 -8.962 2.326 2.426
764 2HG MET 97 1HG MET 97 -9.020 0.723 1.695
765 1HE MET 97 1HE MET 97 -10.225 4.641 -0.394
766 2HE MET 97 2HE MET 97 -9.062 4.626 0.931
767 3HE MET 97 3HE MET 97 -10.733 4.134 1.219
768 H ASP 98 H ASP 98 -12.474 2.254 5.068
769 HA ASP 98 HA ASP 98 -10.648 4.146 6.037
770 1HB ASP 98 2HB ASP 98 -13.440 3.420 6.555
771 2HB ASP 98 1HB ASP 98 -12.616 4.084 7.963
772 H ASN 99 H ASN 99 -11.642 1.020 7.204
773 HA ASN 99 HA ASN 99 -10.371 1.232 9.757
774 1HB ASN 99 2HB ASN 99 -11.305 -1.159 8.156
775 2HB ASN 99 1HB ASN 99 -10.633 -1.277 9.780
776 1HD2 ASN 99 1HD2 ASN 99 -13.349 -0.369 7.863
777 2HD2 ASN 99 2HD2 ASN 99 -14.444 -0.079 9.168
778 H ILE 100 H ILE 100 -9.428 0.183 6.560
779 HA ILE 100 HA ILE 100 -7.028 -1.129 7.197
780 HB ILE 100 HB ILE 100 -7.697 0.427 4.694
781 1HG1 ILE 100 2HG1 ILE 100 -9.308 -1.403 5.352
782 2HG1 ILE 100 1HG1 ILE 100 -8.544 -1.610 3.779
783 1HG2 ILE 100 1HG2 ILE 100 -6.073 -1.347 3.726
784 2HG2 ILE 100 2HG2 ILE 100 -5.494 -1.472 5.388
785 3HG2 ILE 100 3HG2 ILE 100 -5.415 0.073 4.541
786 1HD1 ILE 100 1HD1 ILE 100 -7.166 -2.883 6.048
787 2HD1 ILE 100 2HD1 ILE 100 -7.460 -3.472 4.407
788 3HD1 ILE 100 3HD1 ILE 100 -8.743 -3.553 5.615
789 H LYS 101 H LYS 101 -7.676 2.255 6.316
790 HA LYS 101 HA LYS 101 -4.981 3.109 6.541
791 1HB LYS 101 2HB LYS 101 -7.397 4.867 6.942
792 2HB LYS 101 1HB LYS 101 -5.808 5.333 6.351
793 1HG LYS 101 2HG LYS 101 -6.200 4.513 4.243
794 2HG LYS 101 1HG LYS 101 -7.422 3.366 4.797
795 1HD LYS 101 2HD LYS 101 -8.609 5.683 5.483
796 2HD LYS 101 1HD LYS 101 -7.681 6.220 4.084
797 1HE LYS 101 2HE LYS 101 -8.665 4.255 2.838
798 2HE LYS 101 1HE LYS 101 -9.749 4.039 4.210
799 1HZ LYS 101 1HZ LYS 101 -10.071 6.642 3.682
800 2HZ LYS 101 2HZ LYS 101 -11.058 5.420 3.052
801 3HZ LYS 101 3HZ LYS 101 -9.790 6.043 2.124
802 H MET 102 H MET 102 -7.563 2.639 8.782
803 HA MET 102 HA MET 102 -6.400 4.175 10.913
804 1HB MET 102 2HB MET 102 -8.707 2.241 10.767
805 2HB MET 102 1HB MET 102 -8.179 2.954 12.284
806 1HG MET 102 2HG MET 102 -8.717 5.143 11.542
807 2HG MET 102 1HG MET 102 -8.977 4.584 9.890
808 1HE MET 102 1HE MET 102 -9.927 4.110 13.506
809 2HE MET 102 2HE MET 102 -10.561 2.516 13.095
810 3HE MET 102 3HE MET 102 -11.667 3.824 13.513
811 H THR 103 H THR 103 -6.576 0.784 9.981
812 HA THR 103 HA THR 103 -5.224 -0.149 12.331
813 HB THR 103 HB THR 103 -6.589 -1.288 10.074
814 HG1 THR 103 HG1 THR 103 -7.322 -2.142 11.839
815 1HG2 THR 103 1HG2 THR 103 -5.266 -3.357 9.906
816 2HG2 THR 103 2HG2 THR 103 -3.961 -2.538 10.765
817 3HG2 THR 103 3HG2 THR 103 -4.487 -1.945 9.189
818 H LEU 104 H LEU 104 -4.296 0.568 8.996
819 HA LEU 104 HA LEU 104 -1.661 -0.403 9.176
820 1HB LEU 104 2HB LEU 104 -3.075 1.519 7.379
821 2HB LEU 104 1HB LEU 104 -1.327 1.411 7.302
822 HG LEU 104 HG LEU 104 -3.182 -0.938 6.923
823 1HD1 LEU 104 1HD1 LEU 104 -1.723 0.675 4.837
824 2HD1 LEU 104 2HD1 LEU 104 -3.456 0.754 5.155
825 3HD1 LEU 104 3HD1 LEU 104 -2.736 -0.743 4.557
826 1HD2 LEU 104 1HD2 LEU 104 -0.444 -0.974 5.864
827 2HD2 LEU 104 2HD2 LEU 104 -1.363 -2.236 6.687
828 3HD2 LEU 104 3HD2 LEU 104 -0.562 -0.975 7.625
829 H GLN 105 H GLN 105 -3.123 2.694 9.961
830 HA GLN 105 HA GLN 105 -0.753 4.152 10.357
831 1HB GLN 105 2HB GLN 105 -3.598 4.463 11.128
832 2HB GLN 105 1HB GLN 105 -2.425 5.388 12.056
833 1HG GLN 105 2HG GLN 105 -1.539 6.162 9.774
834 2HG GLN 105 1HG GLN 105 -3.067 5.553 9.138
835 1HE2 GLN 105 1HE2 GLN 105 -1.508 8.193 10.409
836 2HE2 GLN 105 2HE2 GLN 105 -2.885 9.149 10.829
837 H GLN 106 H GLN 106 -2.461 1.883 12.343
838 HA GLN 106 HA GLN 106 -1.249 2.565 14.819
839 1HB GLN 106 2HB GLN 106 -2.591 0.042 13.850
840 2HB GLN 106 1HB GLN 106 -1.994 0.241 15.491
841 1HG GLN 106 2HG GLN 106 -3.485 2.177 15.774
842 2HG GLN 106 1HG GLN 106 -4.116 1.901 14.151
843 1HE2 GLN 106 1HE2 GLN 106 -4.405 -0.775 14.041
844 2HE2 GLN 106 2HE2 GLN 106 -5.556 -1.310 15.214
845 H ILE 107 H ILE 107 -0.315 0.511 12.149
846 HA ILE 107 HA ILE 107 1.786 -0.821 13.571
847 HB ILE 107 HB ILE 107 1.326 -0.614 10.590
848 1HG1 ILE 107 2HG1 ILE 107 0.772 -3.165 11.900
849 2HG1 ILE 107 1HG1 ILE 107 -0.253 -1.864 12.496
850 1HG2 ILE 107 1HG2 ILE 107 2.718 -2.691 10.530
851 2HG2 ILE 107 2HG2 ILE 107 3.117 -2.405 12.224
852 3HG2 ILE 107 3HG2 ILE 107 3.597 -1.234 10.995
853 1HD1 ILE 107 1HD1 ILE 107 0.002 -1.975 9.582
854 2HD1 ILE 107 2HD1 ILE 107 -1.425 -1.761 10.597
855 3HD1 ILE 107 3HD1 ILE 107 -0.776 -3.376 10.317
856 H ILE 108 H ILE 108 1.679 1.823 11.191
857 HA ILE 108 HA ILE 108 4.435 2.244 10.961
858 HB ILE 108 HB ILE 108 2.557 4.576 11.016
859 1HG1 ILE 108 2HG1 ILE 108 2.845 3.012 8.491
860 2HG1 ILE 108 1HG1 ILE 108 1.687 2.463 9.693
861 1HG2 ILE 108 1HG2 ILE 108 5.218 4.274 10.367
862 2HG2 ILE 108 2HG2 ILE 108 4.190 5.649 9.967
863 3HG2 ILE 108 3HG2 ILE 108 4.413 4.346 8.801
864 1HD1 ILE 108 1HD1 ILE 108 1.673 4.923 8.043
865 2HD1 ILE 108 2HD1 ILE 108 0.919 4.963 9.638
866 3HD1 ILE 108 3HD1 ILE 108 0.361 3.807 8.426
867 H SER 109 H SER 109 2.134 4.042 12.886
868 HA SER 109 HA SER 109 3.872 5.535 14.420
869 1HB SER 109 2HB SER 109 1.371 5.753 14.397
870 2HB SER 109 1HB SER 109 1.292 4.338 15.447
871 HG SER 109 HG SER 109 2.567 5.525 16.963
872 H ARG 110 H ARG 110 3.063 2.178 14.670
873 HA ARG 110 HA ARG 110 4.000 1.701 17.288
874 1HB ARG 110 2HB ARG 110 2.953 0.169 15.122
875 2HB ARG 110 1HB ARG 110 4.431 -0.606 15.675
876 1HG ARG 110 2HG ARG 110 3.475 -0.473 18.008
877 2HG ARG 110 1HG ARG 110 1.949 -0.013 17.253
878 1HD ARG 110 2HD ARG 110 1.604 -2.085 16.364
879 2HD ARG 110 1HD ARG 110 3.327 -2.424 16.210
880 HE ARG 110 HE ARG 110 3.234 -3.447 18.242
881 1HH1 ARG 110 1HH1 ARG 110 0.551 -1.226 18.024
882 2HH1 ARG 110 2HH1 ARG 110 -0.127 -1.698 19.545
883 1HH2 ARG 110 1HH2 ARG 110 2.345 -4.071 20.243
884 2HH2 ARG 110 2HH2 ARG 110 0.892 -3.314 20.806
885 H TYR 111 H TYR 111 5.552 1.827 14.173
886 HA TYR 111 HA TYR 111 8.102 0.954 15.268
887 1HB TYR 111 2HB TYR 111 7.185 1.672 12.488
888 2HB TYR 111 1HB TYR 111 8.879 1.375 12.869
889 HD1 TYR 111 HD1 TYR 111 9.551 -0.884 13.744
890 HD2 TYR 111 HD2 TYR 111 5.676 -0.119 12.166
891 HE1 TYR 111 HE1 TYR 111 9.191 -3.302 13.468
892 HE2 TYR 111 HE2 TYR 111 5.304 -2.533 11.888
893 HH TYR 111 HH TYR 111 7.841 -4.836 12.237
894 H LYS 112 H LYS 112 6.495 3.886 14.258
895 HA LYS 112 HA LYS 112 8.771 5.553 14.116
896 1HB LYS 112 2HB LYS 112 5.837 5.963 14.323
897 2HB LYS 112 1HB LYS 112 6.863 7.315 14.780
898 1HG LYS 112 2HG LYS 112 6.914 7.854 12.630
899 2HG LYS 112 1HG LYS 112 7.946 6.443 12.389
900 1HD LYS 112 2HD LYS 112 6.118 6.343 10.831
901 2HD LYS 112 1HD LYS 112 5.907 5.076 12.040
902 1HE LYS 112 2HE LYS 112 3.793 5.909 12.056
903 2HE LYS 112 1HE LYS 112 4.516 7.002 13.237
904 1HZ LYS 112 1HZ LYS 112 3.177 8.130 11.509
905 2HZ LYS 112 2HZ LYS 112 4.282 7.606 10.340
906 3HZ LYS 112 3HZ LYS 112 4.784 8.662 11.562
907 H ASP 113 H ASP 113 6.570 4.709 16.743
908 HA ASP 113 HA ASP 113 7.523 6.495 18.672
909 1HB ASP 113 2HB ASP 113 6.232 3.776 18.916
910 2HB ASP 113 1HB ASP 113 6.622 4.774 20.316
911 H ALA 114 H ALA 114 8.659 3.311 17.698
912 HA ALA 114 HA ALA 114 10.483 2.896 19.802
913 1HB ALA 114 1HB ALA 114 11.020 0.990 18.725
914 2HB ALA 114 2HB ALA 114 11.206 1.795 17.167
915 3HB ALA 114 3HB ALA 114 9.597 1.378 17.759
916 H ASP 115 H ASP 115 10.708 4.668 16.790
917 HA ASP 115 HA ASP 115 13.517 5.310 17.380
918 1HB ASP 115 2HB ASP 115 11.943 5.516 14.806
919 2HB ASP 115 1HB ASP 115 13.590 6.105 15.003
920 H LEU 45 1H LEU 45 -3.022 3.582 -17.443
921 HA LEU 45 HA LEU 45 -1.986 3.115 -19.654
922 1HB LEU 45 2HB LEU 45 -1.622 6.109 -19.564
923 2HB LEU 45 1HB LEU 45 -1.064 5.013 -20.812
924 HG LEU 45 HG LEU 45 -3.962 5.606 -20.205
925 1HD1 LEU 45 1HD1 LEU 45 -3.992 7.136 -21.897
926 2HD1 LEU 45 2HD1 LEU 45 -2.617 6.410 -22.730
927 3HD1 LEU 45 3HD1 LEU 45 -2.356 7.393 -21.289
928 1HD2 LEU 45 1HD2 LEU 45 -3.153 4.396 -22.762
929 2HD2 LEU 45 2HD2 LEU 45 -4.553 4.070 -21.740
930 3HD2 LEU 45 3HD2 LEU 45 -2.988 3.359 -21.346
931 H SER 46 H SER 46 -1.113 5.808 -17.479
932 HA SER 46 HA SER 46 1.279 4.272 -16.702
933 1HB SER 46 2HB SER 46 0.975 7.124 -17.490
934 2HB SER 46 1HB SER 46 2.098 6.767 -16.178
935 HG SER 46 HG SER 46 3.442 6.121 -17.641
936 HA PRO 47 HA PRO 47 0.253 4.434 -12.432
937 1HB PRO 47 2HB PRO 47 2.770 5.962 -11.961
938 2HB PRO 47 1HB PRO 47 2.188 4.482 -11.184
939 1HG PRO 47 2HG PRO 47 4.126 4.381 -13.004
940 2HG PRO 47 1HG PRO 47 2.867 3.134 -12.948
941 1HD PRO 47 2HD PRO 47 3.200 5.410 -14.848
942 2HD PRO 47 1HD PRO 47 2.587 3.771 -15.145
943 H ASP 48 H ASP 48 1.657 7.459 -13.657
944 HA ASP 48 HA ASP 48 0.677 9.196 -11.717
945 1HB ASP 48 2HB ASP 48 1.221 9.660 -14.652
946 2HB ASP 48 1HB ASP 48 0.856 10.951 -13.512
947 H ASP 49 H ASP 49 -0.946 7.650 -14.369
948 HA ASP 49 HA ASP 49 -3.170 9.365 -14.585
949 1HB ASP 49 2HB ASP 49 -2.941 6.405 -15.171
950 2HB ASP 49 1HB ASP 49 -4.291 7.426 -15.659
951 H ILE 50 H ILE 50 -2.581 6.484 -12.618
952 HA ILE 50 HA ILE 50 -5.174 6.404 -11.466
953 HB ILE 50 HB ILE 50 -2.636 5.254 -10.314
954 1HG1 ILE 50 2HG1 ILE 50 -2.894 4.488 -12.609
955 2HG1 ILE 50 1HG1 ILE 50 -3.270 3.173 -11.501
956 1HG2 ILE 50 1HG2 ILE 50 -3.899 4.288 -8.753
957 2HG2 ILE 50 2HG2 ILE 50 -5.090 3.756 -9.937
958 3HG2 ILE 50 3HG2 ILE 50 -5.191 5.378 -9.253
959 1HD1 ILE 50 1HD1 ILE 50 -5.707 3.853 -11.800
960 2HD1 ILE 50 2HD1 ILE 50 -4.907 3.054 -13.154
961 3HD1 ILE 50 3HD1 ILE 50 -5.142 4.802 -13.175
962 H GLU 51 H GLU 51 -2.273 8.137 -10.743
963 HA GLU 51 HA GLU 51 -2.788 8.767 -8.041
964 1HB GLU 51 2HB GLU 51 -1.198 10.256 -10.137
965 2HB GLU 51 1HB GLU 51 -1.197 10.657 -8.424
966 1HG GLU 51 2HG GLU 51 -0.313 8.419 -7.923
967 2HG GLU 51 1HG GLU 51 -0.264 8.071 -9.652
968 H GLN 52 H GLN 52 -3.849 10.182 -11.062
969 HA GLN 52 HA GLN 52 -4.838 12.614 -10.035
970 1HB GLN 52 2HB GLN 52 -4.782 11.270 -12.548
971 2HB GLN 52 1HB GLN 52 -6.435 11.789 -12.247
972 1HG GLN 52 2HG GLN 52 -5.551 14.073 -11.785
973 2HG GLN 52 1HG GLN 52 -3.968 13.505 -12.311
974 1HE2 GLN 52 1HE2 GLN 52 -4.203 12.211 -14.494
975 2HE2 GLN 52 2HE2 GLN 52 -5.057 13.068 -15.728
976 H TRP 53 H TRP 53 -6.138 9.383 -10.103
977 HA TRP 53 HA TRP 53 -8.851 9.878 -9.774
978 1HB TRP 53 2HB TRP 53 -7.098 7.660 -8.715
979 2HB TRP 53 1HB TRP 53 -8.846 7.670 -8.501
980 HD1 TRP 53 HD1 TRP 53 -6.998 8.664 -11.746
981 HE1 TRP 53 HE1 TRP 53 -7.760 7.073 -13.620
982 HE3 TRP 53 HE3 TRP 53 -9.899 5.486 -8.985
983 HZ2 TRP 53 HZ2 TRP 53 -9.374 4.775 -13.891
984 HZ3 TRP 53 HZ3 TRP 53 -11.017 3.617 -10.128
985 HH2 TRP 53 HH2 TRP 53 -10.760 3.270 -12.531
986 H PHE 54 H PHE 54 -6.226 10.137 -7.487
987 HA PHE 54 HA PHE 54 -7.910 10.338 -5.173
988 1HB PHE 54 2HB PHE 54 -4.998 11.073 -5.546
989 2HB PHE 54 1HB PHE 54 -5.833 10.972 -3.999
990 HD1 PHE 54 HD1 PHE 54 -4.674 9.009 -6.902
991 HD2 PHE 54 HD2 PHE 54 -6.135 8.906 -2.907
992 HE1 PHE 54 HE1 PHE 54 -4.105 6.619 -6.762
993 HE2 PHE 54 HE2 PHE 54 -5.569 6.516 -2.757
994 HZ PHE 54 HZ PHE 54 -4.551 5.370 -4.686
995 H THR 55 H THR 55 -6.388 12.584 -7.404
996 HA THR 55 HA THR 55 -7.095 14.894 -5.837
997 HB THR 55 HB THR 55 -5.484 14.325 -8.182
998 HG1 THR 55 HG1 THR 55 -4.210 15.249 -6.826
999 1HG2 THR 55 1HG2 THR 55 -6.876 15.653 -9.499
1000 2HG2 THR 55 2HG2 THR 55 -5.595 16.739 -8.959
1001 3HG2 THR 55 3HG2 THR 55 -7.179 16.786 -8.184
1002 H GLU 56 H GLU 56 -8.083 13.570 -8.987
1003 HA GLU 56 HA GLU 56 -10.275 15.426 -9.208
1004 1HB GLU 56 2HB GLU 56 -9.545 13.008 -10.871
1005 2HB GLU 56 1HB GLU 56 -10.819 14.154 -11.267
1006 1HG GLU 56 2HG GLU 56 -7.887 14.796 -11.034
1007 2HG GLU 56 1HG GLU 56 -8.782 14.578 -12.537
1008 H ASP 57 H ASP 57 -12.446 15.006 -8.989
1009 HA ASP 57 HA ASP 57 -13.194 12.369 -7.922
1010 1HB ASP 57 2HB ASP 57 -14.679 13.459 -6.296
1011 2HB ASP 57 1HB ASP 57 -13.002 13.942 -6.047
1012 HA PRO 58 HA PRO 58 -16.615 12.157 -10.671
1013 1HB PRO 58 2HB PRO 58 -18.427 12.013 -8.309
1014 2HB PRO 58 1HB PRO 58 -18.301 10.928 -9.698
1015 1HG PRO 58 2HG PRO 58 -17.303 10.221 -7.336
1016 2HG PRO 58 1HG PRO 58 -16.447 9.827 -8.839
1017 1HD PRO 58 2HD PRO 58 -15.855 11.941 -6.817
1018 2HD PRO 58 1HD PRO 58 -14.738 10.959 -7.786
Start of MODEL 9
1 HT1 PRO 1 HT2 PRO 1 -13.274 -6.294 8.085
2 HT2 PRO 1 HT1 PRO 1 -13.084 -7.075 9.589
3 HA PRO 1 HA PRO 1 -12.559 -4.451 8.876
4 1HB PRO 1 2HB PRO 1 -13.940 -3.905 11.228
5 2HB PRO 1 1HB PRO 1 -14.454 -3.460 9.596
6 1HG PRO 1 2HG PRO 1 -15.305 -5.758 11.289
7 2HG PRO 1 1HG PRO 1 -16.240 -4.820 10.115
8 1HD PRO 1 2HD PRO 1 -15.314 -7.319 9.588
9 2HD PRO 1 1HD PRO 1 -15.497 -6.086 8.325
10 H SER 2 H SER 2 -11.365 -3.403 10.699
11 HA SER 2 HA SER 2 -9.685 -3.450 12.234
12 1HB SER 2 2HB SER 2 -11.599 -4.070 13.716
13 2HB SER 2 1HB SER 2 -11.219 -5.769 13.432
14 HG SER 2 HG SER 2 -9.391 -3.885 14.508
15 H HIS 3 H HIS 3 -7.898 -4.032 11.123
16 HA HIS 3 HA HIS 3 -6.123 -5.282 10.465
17 1HB HIS 3 2HB HIS 3 -7.314 -7.286 12.390
18 2HB HIS 3 1HB HIS 3 -5.731 -7.450 11.634
19 HD1 HIS 3 HD1 HIS 3 -7.588 -5.353 14.142
20 HD2 HIS 3 HD2 HIS 3 -3.713 -5.930 12.758
21 HE1 HIS 3 HE1 HIS 3 -6.117 -4.062 15.714
22 HE2 HIS 3 HE2 HIS 3 -3.766 -4.520 14.928
23 H SER 4 H SER 4 -8.539 -5.299 8.970
24 HA SER 4 HA SER 4 -7.927 -7.156 7.013
25 1HB SER 4 2HB SER 4 -9.902 -8.683 7.164
26 2HB SER 4 1HB SER 4 -8.727 -8.909 8.464
27 HG SER 4 HG SER 4 -11.308 -8.342 8.675
28 H GLY 5 H GLY 5 -9.879 -7.436 5.439
29 1HA GLY 5 2HA GLY 5 -12.120 -6.009 5.261
30 2HA GLY 5 1HA GLY 5 -10.915 -4.750 5.030
31 H ALA 6 H ALA 6 -12.935 -6.738 3.478
32 HA ALA 6 HA ALA 6 -11.636 -7.944 1.418
33 1HB ALA 6 1HB ALA 6 -13.689 -7.522 0.068
34 2HB ALA 6 2HB ALA 6 -14.264 -6.504 1.391
35 3HB ALA 6 3HB ALA 6 -13.965 -8.222 1.664
36 H ALA 7 H ALA 7 -9.980 -7.127 0.342
37 HA ALA 7 HA ALA 7 -10.283 -4.453 -0.878
38 1HB ALA 7 1HB ALA 7 -8.511 -4.838 0.979
39 2HB ALA 7 2HB ALA 7 -8.047 -3.972 -0.488
40 3HB ALA 7 3HB ALA 7 -7.612 -5.671 -0.294
41 H ILE 8 H ILE 8 -9.413 -4.132 -2.981
42 HA ILE 8 HA ILE 8 -9.228 -6.612 -4.537
43 HB ILE 8 HB ILE 8 -10.066 -3.838 -5.219
44 1HG1 ILE 8 2HG1 ILE 8 -11.347 -5.845 -6.751
45 2HG1 ILE 8 1HG1 ILE 8 -11.193 -6.465 -5.111
46 1HG2 ILE 8 1HG2 ILE 8 -8.862 -5.720 -7.228
47 2HG2 ILE 8 2HG2 ILE 8 -8.304 -4.100 -6.812
48 3HG2 ILE 8 3HG2 ILE 8 -9.849 -4.316 -7.635
49 1HD1 ILE 8 1HD1 ILE 8 -12.464 -3.875 -5.917
50 2HD1 ILE 8 2HD1 ILE 8 -12.274 -4.456 -4.263
51 3HD1 ILE 8 3HD1 ILE 8 -13.292 -5.343 -5.397
52 H PHE 9 H PHE 9 -7.361 -7.292 -5.259
53 HA PHE 9 HA PHE 9 -5.112 -5.370 -5.314
54 1HB PHE 9 2HB PHE 9 -4.968 -7.301 -3.680
55 2HB PHE 9 1HB PHE 9 -4.854 -8.365 -5.078
56 HD1 PHE 9 HD1 PHE 9 -2.718 -9.125 -5.397
57 HD2 PHE 9 HD2 PHE 9 -3.307 -5.097 -4.156
58 HE1 PHE 9 HE1 PHE 9 -0.289 -8.743 -5.493
59 HE2 PHE 9 HE2 PHE 9 -0.880 -4.707 -4.252
60 HZ PHE 9 HZ PHE 9 0.633 -6.532 -4.921
61 H GLU 10 H GLU 10 -4.093 -4.994 -7.174
62 HA GLU 10 HA GLU 10 -3.615 -5.024 -9.400
63 1HB GLU 10 2HB GLU 10 -3.946 -8.010 -9.110
64 2HB GLU 10 1HB GLU 10 -3.071 -7.175 -10.386
65 1HG GLU 10 2HG GLU 10 -1.496 -6.312 -8.702
66 2HG GLU 10 1HG GLU 10 -2.349 -7.233 -7.466
67 H LYS 11 H LYS 11 -6.371 -4.680 -8.633
68 HA LYS 11 HA LYS 11 -8.336 -4.358 -9.751
69 1HB LYS 11 2HB LYS 11 -7.249 -5.958 -12.067
70 2HB LYS 11 1HB LYS 11 -8.558 -4.786 -12.084
71 1HG LYS 11 2HG LYS 11 -6.911 -3.013 -11.544
72 2HG LYS 11 1HG LYS 11 -5.629 -4.216 -11.698
73 1HD LYS 11 2HD LYS 11 -6.394 -4.648 -14.024
74 2HD LYS 11 1HD LYS 11 -7.548 -3.325 -13.847
75 1HE LYS 11 2HE LYS 11 -4.716 -2.750 -13.192
76 2HE LYS 11 1HE LYS 11 -5.112 -2.994 -14.892
77 1HZ LYS 11 1HZ LYS 11 -6.531 -1.080 -13.124
78 2HZ LYS 11 2HZ LYS 11 -6.693 -1.232 -14.800
79 3HZ LYS 11 3HZ LYS 11 -5.249 -0.652 -14.141
80 H VAL 12 H VAL 12 -7.070 -7.134 -8.647
81 HA VAL 12 HA VAL 12 -9.369 -8.795 -9.351
82 HB VAL 12 HB VAL 12 -6.702 -9.478 -8.118
83 1HG1 VAL 12 1HG1 VAL 12 -8.345 -10.754 -6.884
84 2HG1 VAL 12 2HG1 VAL 12 -7.518 -11.822 -8.018
85 3HG1 VAL 12 3HG1 VAL 12 -9.142 -11.239 -8.380
86 1HG2 VAL 12 1HG2 VAL 12 -6.644 -9.323 -10.485
87 2HG2 VAL 12 2HG2 VAL 12 -8.151 -10.238 -10.629
88 3HG2 VAL 12 3HG2 VAL 12 -6.680 -11.041 -10.076
89 H SER 13 H SER 13 -10.514 -9.870 -7.689
90 HA SER 13 HA SER 13 -10.684 -8.166 -5.320
91 1HB SER 13 2HB SER 13 -12.873 -9.212 -4.948
92 2HB SER 13 1HB SER 13 -12.736 -8.449 -6.529
93 HG SER 13 HG SER 13 -12.452 -10.480 -7.448
94 H GLY 14 H GLY 14 -10.779 -8.908 -3.258
95 1HA GLY 14 2HA GLY 14 -10.655 -11.533 -2.339
96 2HA GLY 14 1HA GLY 14 -8.998 -10.977 -2.561
97 H ILE 15 H ILE 15 -9.406 -11.503 -0.041
98 HA ILE 15 HA ILE 15 -10.260 -8.980 1.182
99 HB ILE 15 HB ILE 15 -10.021 -11.706 2.456
100 1HG1 ILE 15 2HG1 ILE 15 -12.253 -11.917 2.210
101 2HG1 ILE 15 1HG1 ILE 15 -12.538 -10.282 2.785
102 1HG2 ILE 15 1HG2 ILE 15 -10.697 -9.045 3.713
103 2HG2 ILE 15 2HG2 ILE 15 -9.267 -10.035 4.048
104 3HG2 ILE 15 3HG2 ILE 15 -10.871 -10.609 4.510
105 1HD1 ILE 15 1HD1 ILE 15 -11.975 -11.156 -0.032
106 2HD1 ILE 15 2HD1 ILE 15 -12.021 -9.470 0.489
107 3HD1 ILE 15 3HD1 ILE 15 -13.464 -10.470 0.619
108 H ILE 16 H ILE 16 -8.976 -7.864 2.528
109 HA ILE 16 HA ILE 16 -6.149 -8.654 2.497
110 HB ILE 16 HB ILE 16 -7.475 -6.159 1.964
111 1HG1 ILE 16 2HG1 ILE 16 -4.536 -6.862 2.041
112 2HG1 ILE 16 1HG1 ILE 16 -5.612 -7.118 0.673
113 1HG2 ILE 16 1HG2 ILE 16 -6.109 -4.644 3.322
114 2HG2 ILE 16 2HG2 ILE 16 -5.551 -6.027 4.267
115 3HG2 ILE 16 3HG2 ILE 16 -7.258 -5.582 4.271
116 1HD1 ILE 16 1HD1 ILE 16 -5.637 -4.921 0.105
117 2HD1 ILE 16 2HD1 ILE 16 -4.039 -5.011 0.842
118 3HD1 ILE 16 3HD1 ILE 16 -5.401 -4.373 1.764
119 H ALA 17 H ALA 17 -5.419 -9.437 4.349
120 HA ALA 17 HA ALA 17 -6.699 -8.544 6.846
121 1HB ALA 17 1HB ALA 17 -5.503 -11.265 6.408
122 2HB ALA 17 2HB ALA 17 -7.207 -10.895 6.124
123 3HB ALA 17 3HB ALA 17 -6.521 -10.724 7.743
124 H ILE 18 H ILE 18 -5.443 -7.840 8.448
125 HA ILE 18 HA ILE 18 -2.536 -7.896 8.010
126 HB ILE 18 HB ILE 18 -4.265 -5.890 9.454
127 1HG1 ILE 18 2HG1 ILE 18 -2.456 -5.542 7.062
128 2HG1 ILE 18 1HG1 ILE 18 -4.184 -5.849 6.942
129 1HG2 ILE 18 1HG2 ILE 18 -2.507 -5.392 10.711
130 2HG2 ILE 18 2HG2 ILE 18 -1.699 -4.843 9.242
131 3HG2 ILE 18 3HG2 ILE 18 -1.466 -6.496 9.811
132 1HD1 ILE 18 1HD1 ILE 18 -3.442 -3.453 6.722
133 2HD1 ILE 18 2HD1 ILE 18 -3.059 -3.510 8.444
134 3HD1 ILE 18 3HD1 ILE 18 -4.717 -3.770 7.899
135 H ASN 19 H ASN 19 -1.175 -8.554 9.611
136 HA ASN 19 HA ASN 19 -2.386 -9.429 12.148
137 1HB ASN 19 2HB ASN 19 -1.913 -11.324 10.528
138 2HB ASN 19 1HB ASN 19 -0.202 -10.946 10.719
139 1HD2 ASN 19 1HD2 ASN 19 -0.109 -13.171 11.477
140 2HD2 ASN 19 2HD2 ASN 19 -0.453 -13.503 13.137
141 H GLU 20 H GLU 20 -1.550 -8.225 13.712
142 HA GLU 20 HA GLU 20 1.108 -7.090 13.440
143 1HB GLU 20 2HB GLU 20 -0.993 -6.776 15.590
144 2HB GLU 20 1HB GLU 20 0.550 -5.931 15.577
145 1HG GLU 20 2HG GLU 20 -0.084 -4.915 13.406
146 2HG GLU 20 1HG GLU 20 -1.669 -5.674 13.561
147 H ASP 21 H ASP 21 0.162 -10.038 14.267
148 HA ASP 21 HA ASP 21 1.557 -10.404 16.750
149 1HB ASP 21 2HB ASP 21 -0.395 -11.805 16.018
150 2HB ASP 21 1HB ASP 21 0.642 -12.508 14.781
151 H VAL 22 H VAL 22 2.390 -10.267 13.444
152 HA VAL 22 HA VAL 22 4.895 -11.713 13.881
153 HB VAL 22 HB VAL 22 4.980 -10.952 11.259
154 1HG1 VAL 22 1HG1 VAL 22 4.568 -13.234 10.739
155 2HG1 VAL 22 2HG1 VAL 22 3.634 -13.464 12.217
156 3HG1 VAL 22 3HG1 VAL 22 5.374 -13.193 12.307
157 1HG2 VAL 22 1HG2 VAL 22 2.097 -11.631 11.820
158 2HG2 VAL 22 2HG2 VAL 22 2.830 -11.344 10.241
159 3HG2 VAL 22 3HG2 VAL 22 2.693 -10.024 11.401
160 H SER 23 H SER 23 6.907 -10.757 13.502
161 HA SER 23 HA SER 23 6.870 -7.819 13.330
162 1HB SER 23 2HB SER 23 7.555 -8.129 15.515
163 2HB SER 23 1HB SER 23 8.382 -9.645 15.153
164 HG SER 23 HG SER 23 9.572 -7.451 15.498
165 HA PRO 24 HA PRO 24 7.399 -6.296 12.331
166 1HB PRO 24 2HB PRO 24 7.414 -5.588 9.541
167 2HB PRO 24 1HB PRO 24 8.247 -4.794 10.877
168 1HG PRO 24 2HG PRO 24 9.506 -6.156 8.845
169 2HG PRO 24 1HG PRO 24 10.208 -5.861 10.447
170 1HD PRO 24 2HD PRO 24 8.918 -8.327 9.360
171 2HD PRO 24 1HD PRO 24 10.314 -8.168 10.448
172 H ALA 25 H ALA 25 5.220 -5.916 12.139
173 HA ALA 25 HA ALA 25 3.448 -7.888 11.519
174 1HB ALA 25 1HB ALA 25 3.051 -5.594 12.620
175 2HB ALA 25 2HB ALA 25 1.735 -6.326 11.703
176 3HB ALA 25 3HB ALA 25 2.700 -5.037 10.984
177 H GLU 26 H GLU 26 2.321 -8.607 9.747
178 HA GLU 26 HA GLU 26 3.056 -7.408 7.158
179 1HB GLU 26 2HB GLU 26 2.689 -10.344 7.769
180 2HB GLU 26 1HB GLU 26 3.028 -9.665 6.184
181 1HG GLU 26 2HG GLU 26 5.168 -8.796 7.049
182 2HG GLU 26 1HG GLU 26 4.832 -9.584 8.590
183 H LEU 27 H LEU 27 1.554 -7.733 5.431
184 HA LEU 27 HA LEU 27 -1.226 -8.132 6.324
185 1HB LEU 27 2HB LEU 27 -0.951 -5.803 5.896
186 2HB LEU 27 1HB LEU 27 -0.067 -6.107 4.415
187 HG LEU 27 HG LEU 27 -2.919 -6.992 4.641
188 1HD1 LEU 27 1HD1 LEU 27 -3.797 -4.920 4.188
189 2HD1 LEU 27 2HD1 LEU 27 -2.272 -4.286 3.570
190 3HD1 LEU 27 3HD1 LEU 27 -2.502 -4.497 5.307
191 1HD2 LEU 27 1HD2 LEU 27 -2.633 -6.154 2.147
192 2HD2 LEU 27 2HD2 LEU 27 -2.109 -7.761 2.652
193 3HD2 LEU 27 3HD2 LEU 27 -0.932 -6.456 2.497
194 H THR 28 H THR 28 -2.328 -9.662 5.227
195 HA THR 28 HA THR 28 -1.144 -10.612 2.700
196 HB THR 28 HB THR 28 -2.662 -12.269 4.718
197 HG1 THR 28 HG1 THR 28 0.119 -12.017 4.240
198 1HG2 THR 28 1HG2 THR 28 -2.860 -13.336 2.632
199 2HG2 THR 28 2HG2 THR 28 -1.547 -14.155 3.477
200 3HG2 THR 28 3HG2 THR 28 -1.184 -12.985 2.208
201 H TRP 29 H TRP 29 -2.360 -10.513 0.967
202 HA TRP 29 HA TRP 29 -5.219 -9.999 1.219
203 1HB TRP 29 2HB TRP 29 -4.012 -8.358 -0.095
204 2HB TRP 29 1HB TRP 29 -3.273 -9.626 -1.071
205 HD1 TRP 29 HD1 TRP 29 -6.773 -8.213 -0.334
206 HE1 TRP 29 HE1 TRP 29 -8.215 -8.450 -2.458
207 HE3 TRP 29 HE3 TRP 29 -3.431 -10.699 -3.266
208 HZ2 TRP 29 HZ2 TRP 29 -7.951 -9.567 -5.045
209 HZ3 TRP 29 HZ3 TRP 29 -4.094 -11.322 -5.550
210 HH2 TRP 29 HH2 TRP 29 -6.305 -10.770 -6.420
211 H ARG 30 H ARG 30 -6.647 -11.542 0.675
212 HA ARG 30 HA ARG 30 -5.658 -13.826 -0.910
213 1HB ARG 30 2HB ARG 30 -6.000 -14.462 1.432
214 2HB ARG 30 1HB ARG 30 -7.660 -13.889 1.354
215 1HG ARG 30 2HG ARG 30 -8.361 -15.668 0.083
216 2HG ARG 30 1HG ARG 30 -6.752 -15.973 -0.571
217 1HD ARG 30 2HD ARG 30 -7.282 -17.735 0.957
218 2HD ARG 30 1HD ARG 30 -6.042 -16.722 1.692
219 HE ARG 30 HE ARG 30 -7.529 -16.151 3.339
220 1HH1 ARG 30 1HH1 ARG 30 -9.268 -17.644 0.707
221 2HH1 ARG 30 2HH1 ARG 30 -10.761 -17.736 1.580
222 1HH2 ARG 30 1HH2 ARG 30 -9.491 -16.271 4.490
223 2HH2 ARG 30 2HH2 ARG 30 -10.888 -16.956 3.727
224 H SER 31 H SER 31 -6.596 -13.931 -2.827
225 HA SER 31 HA SER 31 -8.642 -12.392 -3.784
226 1HB SER 31 2HB SER 31 -7.957 -15.217 -4.622
227 2HB SER 31 1HB SER 31 -8.933 -14.092 -5.565
228 HG SER 31 HG SER 31 -6.262 -13.595 -4.744
229 H THR 32 H THR 32 -10.865 -13.039 -4.467
230 HA THR 32 HA THR 32 -12.342 -13.955 -2.216
231 HB THR 32 HB THR 32 -13.913 -13.922 -4.627
232 HG1 THR 32 HG1 THR 32 -12.400 -11.568 -4.199
233 1HG2 THR 32 1HG2 THR 32 -14.750 -13.377 -2.377
234 2HG2 THR 32 2HG2 THR 32 -15.099 -12.125 -3.569
235 3HG2 THR 32 3HG2 THR 32 -13.791 -11.897 -2.410
236 H ASP 33 H ASP 33 -11.509 -15.220 -5.352
237 HA ASP 33 HA ASP 33 -12.904 -17.681 -4.933
238 1HB ASP 33 2HB ASP 33 -12.713 -16.681 -7.188
239 2HB ASP 33 1HB ASP 33 -10.972 -16.935 -7.129
240 H GLY 34 H GLY 34 -9.775 -16.438 -4.309
241 1HA GLY 34 2HA GLY 34 -8.135 -17.438 -2.983
242 2HA GLY 34 1HA GLY 34 -8.974 -18.974 -3.144
243 H ASP 35 H ASP 35 -8.039 -16.905 -5.826
244 HA ASP 35 HA ASP 35 -6.309 -19.070 -6.784
245 1HB ASP 35 2HB ASP 35 -8.204 -18.375 -8.237
246 2HB ASP 35 1HB ASP 35 -7.491 -16.769 -8.350
247 H LYS 36 H LYS 36 -6.230 -15.844 -5.624
248 HA LYS 36 HA LYS 36 -3.366 -15.730 -6.247
249 1HB LYS 36 2HB LYS 36 -5.447 -13.846 -7.091
250 2HB LYS 36 1HB LYS 36 -4.073 -13.085 -6.300
251 1HG LYS 36 2HG LYS 36 -2.975 -13.178 -8.215
252 2HG LYS 36 1HG LYS 36 -2.988 -14.938 -8.097
253 1HD LYS 36 2HD LYS 36 -4.169 -14.919 -9.991
254 2HD LYS 36 1HD LYS 36 -5.520 -14.338 -9.017
255 1HE LYS 36 2HE LYS 36 -5.515 -12.618 -10.466
256 2HE LYS 36 1HE LYS 36 -4.188 -12.025 -9.467
257 1HZ LYS 36 1HZ LYS 36 -3.262 -11.920 -11.537
258 2HZ LYS 36 2HZ LYS 36 -4.102 -13.266 -12.123
259 3HZ LYS 36 3HZ LYS 36 -2.781 -13.480 -11.091
260 H VAL 37 H VAL 37 -2.070 -14.842 -4.690
261 HA VAL 37 HA VAL 37 -3.333 -13.686 -2.314
262 HB VAL 37 HB VAL 37 -1.281 -15.901 -2.171
263 1HG1 VAL 37 1HG1 VAL 37 -1.489 -15.768 0.197
264 2HG1 VAL 37 2HG1 VAL 37 -2.819 -14.617 0.077
265 3HG1 VAL 37 3HG1 VAL 37 -1.189 -14.133 -0.390
266 1HG2 VAL 37 1HG2 VAL 37 -4.215 -15.914 -2.170
267 2HG2 VAL 37 2HG2 VAL 37 -3.473 -16.813 -0.846
268 3HG2 VAL 37 3HG2 VAL 37 -3.073 -17.212 -2.517
269 H HIS 38 H HIS 38 -2.170 -12.081 -1.364
270 HA HIS 38 HA HIS 38 0.598 -11.669 -2.251
271 1HB HIS 38 2HB HIS 38 -1.080 -10.226 -3.526
272 2HB HIS 38 1HB HIS 38 -1.334 -9.379 -2.005
273 HD1 HIS 38 HD1 HIS 38 1.654 -10.319 -4.176
274 HD2 HIS 38 HD2 HIS 38 0.276 -7.235 -1.758
275 HE1 HIS 38 HE1 HIS 38 3.399 -8.514 -4.328
276 HE2 HIS 38 HE2 HIS 38 2.585 -6.692 -2.790
277 H THR 39 H THR 39 1.950 -10.663 -0.795
278 HA THR 39 HA THR 39 0.827 -10.103 1.865
279 HB THR 39 HB THR 39 3.415 -11.568 1.325
280 HG1 THR 39 HG1 THR 39 1.830 -13.016 0.968
281 1HG2 THR 39 1HG2 THR 39 3.019 -12.128 3.838
282 2HG2 THR 39 2HG2 THR 39 2.115 -10.614 3.823
283 3HG2 THR 39 3HG2 THR 39 3.818 -10.627 3.369
284 H VAL 40 H VAL 40 1.549 -8.276 2.847
285 HA VAL 40 HA VAL 40 3.929 -6.955 1.739
286 HB VAL 40 HB VAL 40 1.316 -5.554 2.315
287 1HG1 VAL 40 1HG1 VAL 40 4.075 -4.600 2.164
288 2HG1 VAL 40 2HG1 VAL 40 2.632 -3.805 2.802
289 3HG1 VAL 40 3HG1 VAL 40 2.977 -3.749 1.070
290 1HG2 VAL 40 1HG2 VAL 40 2.790 -6.114 -0.252
291 2HG2 VAL 40 2HG2 VAL 40 1.486 -4.933 -0.111
292 3HG2 VAL 40 3HG2 VAL 40 1.167 -6.640 0.203
293 H VAL 41 H VAL 41 5.185 -5.908 3.157
294 HA VAL 41 HA VAL 41 4.617 -6.273 5.992
295 HB VAL 41 HB VAL 41 6.828 -6.885 5.414
296 1HG1 VAL 41 1HG1 VAL 41 7.162 -6.030 3.287
297 2HG1 VAL 41 2HG1 VAL 41 8.347 -5.169 4.266
298 3HG1 VAL 41 3HG1 VAL 41 6.843 -4.372 3.796
299 1HG2 VAL 41 1HG2 VAL 41 6.836 -5.675 7.474
300 2HG2 VAL 41 2HG2 VAL 41 6.876 -4.129 6.629
301 3HG2 VAL 41 3HG2 VAL 41 8.271 -5.205 6.566
302 H LEU 42 H LEU 42 3.573 -4.692 7.071
303 HA LEU 42 HA LEU 42 3.185 -2.116 5.943
304 1HB LEU 42 2HB LEU 42 2.624 -2.731 8.810
305 2HB LEU 42 1HB LEU 42 1.725 -1.717 7.697
306 HG LEU 42 HG LEU 42 0.316 -3.501 7.884
307 1HD1 LEU 42 1HD1 LEU 42 0.121 -4.209 5.789
308 2HD1 LEU 42 2HD1 LEU 42 1.682 -5.027 5.830
309 3HD1 LEU 42 3HD1 LEU 42 1.599 -3.301 5.478
310 1HD2 LEU 42 1HD2 LEU 42 0.835 -5.417 8.864
311 2HD2 LEU 42 2HD2 LEU 42 2.475 -4.787 9.016
312 3HD2 LEU 42 3HD2 LEU 42 2.041 -5.796 7.636
313 H SER 43 H SER 43 5.417 -3.446 8.257
314 HA SER 43 HA SER 43 6.189 -1.178 9.651
315 1HB SER 43 2HB SER 43 6.897 -3.542 10.123
316 2HB SER 43 1HB SER 43 8.053 -3.396 8.799
317 HG SER 43 HG SER 43 9.100 -1.775 9.925
318 H THR 44 H THR 44 6.787 -1.972 6.357
319 HA THR 44 HA THR 44 8.951 -0.018 6.165
320 HB THR 44 HB THR 44 9.672 -1.103 4.318
321 HG1 THR 44 HG1 THR 44 8.434 -1.088 2.646
322 1HG2 THR 44 1HG2 THR 44 9.287 -2.955 5.895
323 2HG2 THR 44 2HG2 THR 44 9.182 -3.445 4.204
324 3HG2 THR 44 3HG2 THR 44 7.712 -3.220 5.149
325 H ILE 45 H ILE 45 5.593 -0.333 5.533
326 HA ILE 45 HA ILE 45 5.181 1.434 3.450
327 HB ILE 45 HB ILE 45 3.436 1.082 5.888
328 1HG1 ILE 45 2HG1 ILE 45 3.945 -1.019 4.699
329 2HG1 ILE 45 1HG1 ILE 45 2.249 -0.575 4.542
330 1HG2 ILE 45 1HG2 ILE 45 1.709 1.646 3.930
331 2HG2 ILE 45 2HG2 ILE 45 3.096 2.566 3.348
332 3HG2 ILE 45 3HG2 ILE 45 2.431 2.889 4.950
333 1HD1 ILE 45 1HD1 ILE 45 4.294 -0.917 2.510
334 2HD1 ILE 45 2HD1 ILE 45 3.391 0.588 2.339
335 3HD1 ILE 45 3HD1 ILE 45 2.536 -0.954 2.372
336 H ASP 46 H ASP 46 6.499 3.199 3.448
337 HA ASP 46 HA ASP 46 7.013 4.888 5.619
338 1HB ASP 46 2HB ASP 46 8.306 4.775 3.459
339 2HB ASP 46 1HB ASP 46 7.009 5.700 2.710
340 H LYS 47 H LYS 47 4.326 4.763 3.388
341 HA LYS 47 HA LYS 47 2.929 6.724 5.006
342 1HB LYS 47 2HB LYS 47 3.013 7.251 2.047
343 2HB LYS 47 1HB LYS 47 2.491 8.316 3.341
344 1HG LYS 47 2HG LYS 47 4.820 8.503 4.106
345 2HG LYS 47 1HG LYS 47 5.324 7.484 2.757
346 1HD LYS 47 2HD LYS 47 4.229 9.189 1.236
347 2HD LYS 47 1HD LYS 47 4.099 10.232 2.654
348 1HE LYS 47 2HE LYS 47 6.758 9.059 2.171
349 2HE LYS 47 1HE LYS 47 6.207 10.222 0.965
350 1HZ LYS 47 1HZ LYS 47 5.940 11.872 2.636
351 2HZ LYS 47 2HZ LYS 47 7.479 11.201 2.844
352 3HZ LYS 47 3HZ LYS 47 6.219 10.762 3.883
353 H LEU 48 H LEU 48 0.656 6.954 4.381
354 HA LEU 48 HA LEU 48 -0.380 4.569 3.004
355 1HB LEU 48 2HB LEU 48 -1.256 5.844 5.577
356 2HB LEU 48 1HB LEU 48 -2.374 4.889 4.622
357 HG LEU 48 HG LEU 48 0.199 3.924 5.864
358 1HD1 LEU 48 1HD1 LEU 48 -2.469 2.760 6.441
359 2HD1 LEU 48 2HD1 LEU 48 -2.071 4.316 7.167
360 3HD1 LEU 48 3HD1 LEU 48 -1.051 2.910 7.477
361 1HD2 LEU 48 1HD2 LEU 48 -0.024 2.773 3.805
362 2HD2 LEU 48 2HD2 LEU 48 -1.758 2.559 4.033
363 3HD2 LEU 48 3HD2 LEU 48 -0.621 1.683 5.057
364 H GLN 49 H GLN 49 -1.631 5.024 1.322
365 HA GLN 49 HA GLN 49 -2.793 7.724 1.143
366 1HB GLN 49 2HB GLN 49 -1.111 7.182 -0.589
367 2HB GLN 49 1HB GLN 49 -2.097 5.820 -1.100
368 1HG GLN 49 2HG GLN 49 -3.882 7.323 -1.755
369 2HG GLN 49 1HG GLN 49 -2.951 8.704 -1.180
370 1HE2 GLN 49 1HE2 GLN 49 -2.904 9.696 -3.176
371 2HE2 GLN 49 2HE2 GLN 49 -1.960 9.097 -4.493
372 H ALA 50 H ALA 50 -4.936 7.938 1.029
373 HA ALA 50 HA ALA 50 -6.583 5.688 0.170
374 1HB ALA 50 1HB ALA 50 -6.586 6.854 2.923
375 2HB ALA 50 2HB ALA 50 -6.656 5.165 2.418
376 3HB ALA 50 3HB ALA 50 -8.073 6.200 2.236
377 H THR 51 H THR 51 -8.446 6.286 -0.817
378 HA THR 51 HA THR 51 -8.735 9.044 -1.541
379 HB THR 51 HB THR 51 -10.599 8.285 -2.919
380 HG1 THR 51 HG1 THR 51 -10.285 5.861 -1.492
381 1HG2 THR 51 1HG2 THR 51 -8.231 6.440 -2.977
382 2HG2 THR 51 2HG2 THR 51 -8.524 7.868 -3.969
383 3HG2 THR 51 3HG2 THR 51 -9.508 6.421 -4.192
384 HA PRO 52 HA PRO 52 -11.280 10.093 1.994
385 1HB PRO 52 2HB PRO 52 -12.095 12.536 1.043
386 2HB PRO 52 1HB PRO 52 -10.551 12.252 1.848
387 1HG PRO 52 2HG PRO 52 -11.161 12.430 -1.075
388 2HG PRO 52 1HG PRO 52 -9.787 13.100 -0.172
389 1HD PRO 52 2HD PRO 52 -9.557 10.857 -1.633
390 2HD PRO 52 1HD PRO 52 -8.681 11.066 -0.103
391 H ALA 53 H ALA 53 -13.512 10.527 2.459
392 HA ALA 53 HA ALA 53 -15.317 9.048 0.923
393 1HB ALA 53 1HB ALA 53 -15.361 10.035 3.421
394 2HB ALA 53 2HB ALA 53 -16.794 9.437 2.585
395 3HB ALA 53 3HB ALA 53 -16.457 11.168 2.629
396 H SER 54 H SER 54 -14.771 12.549 1.082
397 HA SER 54 HA SER 54 -16.881 13.323 -0.593
398 1HB SER 54 2HB SER 54 -14.198 14.685 -0.254
399 2HB SER 54 1HB SER 54 -15.674 15.430 -0.867
400 HG SER 54 HG SER 54 -14.885 15.229 1.643
401 H SER 55 H SER 55 -13.779 11.971 -1.268
402 HA SER 55 HA SER 55 -13.762 12.650 -4.053
403 1HB SER 55 2HB SER 55 -11.626 12.407 -3.007
404 2HB SER 55 1HB SER 55 -12.050 10.814 -2.380
405 HG SER 55 HG SER 55 -10.926 11.425 -4.711
406 H GLU 56 H GLU 56 -14.843 11.650 -5.591
407 HA GLU 56 HA GLU 56 -16.517 9.458 -5.180
408 1HB GLU 56 2HB GLU 56 -15.287 10.457 -7.756
409 2HB GLU 56 1HB GLU 56 -16.621 9.317 -7.659
410 1HG GLU 56 2HG GLU 56 -17.975 11.023 -6.523
411 2HG GLU 56 1HG GLU 56 -16.642 12.166 -6.688
412 H LYS 57 H LYS 57 -13.138 9.608 -5.633
413 HA LYS 57 HA LYS 57 -12.676 7.083 -6.818
414 1HB LYS 57 2HB LYS 57 -10.976 8.891 -5.110
415 2HB LYS 57 1HB LYS 57 -10.381 7.351 -5.715
416 1HG LYS 57 2HG LYS 57 -9.666 9.174 -7.140
417 2HG LYS 57 1HG LYS 57 -10.763 8.101 -8.009
418 1HD LYS 57 2HD LYS 57 -12.579 9.641 -7.750
419 2HD LYS 57 1HD LYS 57 -11.628 10.657 -6.665
420 1HE LYS 57 2HE LYS 57 -10.186 11.333 -8.426
421 2HE LYS 57 1HE LYS 57 -10.832 10.106 -9.515
422 1HZ LYS 57 1HZ LYS 57 -11.651 12.418 -9.905
423 2HZ LYS 57 2HZ LYS 57 -12.465 12.328 -8.426
424 3HZ LYS 57 3HZ LYS 57 -12.871 11.269 -9.679
425 H MET 58 H MET 58 -11.963 5.130 -5.854
426 HA MET 58 HA MET 58 -12.419 4.814 -2.981
427 1HB MET 58 2HB MET 58 -13.795 3.171 -5.109
428 2HB MET 58 1HB MET 58 -13.791 2.782 -3.395
429 1HG MET 58 2HG MET 58 -14.836 5.055 -3.018
430 2HG MET 58 1HG MET 58 -15.069 5.129 -4.762
431 1HE MET 58 1HE MET 58 -15.956 1.410 -2.794
432 2HE MET 58 2HE MET 58 -16.829 2.435 -1.656
433 3HE MET 58 3HE MET 58 -15.119 2.731 -1.975
434 H MET 59 H MET 59 -10.072 4.630 -3.046
435 HA MET 59 HA MET 59 -9.256 1.875 -3.372
436 1HB MET 59 2HB MET 59 -8.163 4.081 -5.091
437 2HB MET 59 1HB MET 59 -7.187 2.674 -4.700
438 1HG MET 59 2HG MET 59 -8.075 1.734 -6.500
439 2HG MET 59 1HG MET 59 -9.547 1.560 -5.549
440 1HE MET 59 1HE MET 59 -8.335 4.643 -8.557
441 2HE MET 59 2HE MET 59 -7.508 4.224 -7.056
442 3HE MET 59 3HE MET 59 -8.722 5.502 -7.064
443 H LEU 60 H LEU 60 -6.920 1.593 -2.714
444 HA LEU 60 HA LEU 60 -6.040 3.614 -0.777
445 1HB LEU 60 2HB LEU 60 -7.364 1.536 0.162
446 2HB LEU 60 1HB LEU 60 -5.831 0.719 -0.072
447 HG LEU 60 HG LEU 60 -5.133 3.033 1.291
448 1HD1 LEU 60 1HD1 LEU 60 -6.601 3.142 3.207
449 2HD1 LEU 60 2HD1 LEU 60 -7.629 1.881 2.524
450 3HD1 LEU 60 3HD1 LEU 60 -7.518 3.453 1.733
451 1HD2 LEU 60 1HD2 LEU 60 -5.707 0.618 2.892
452 2HD2 LEU 60 2HD2 LEU 60 -4.229 1.572 2.760
453 3HD2 LEU 60 3HD2 LEU 60 -4.643 0.407 1.501
454 H ARG 61 H ARG 61 -3.933 4.074 -1.012
455 HA ARG 61 HA ARG 61 -2.253 2.099 -2.422
456 1HB ARG 61 2HB ARG 61 -2.608 5.008 -2.802
457 2HB ARG 61 1HB ARG 61 -0.951 4.426 -2.887
458 1HG ARG 61 2HG ARG 61 -1.503 2.928 -4.670
459 2HG ARG 61 1HG ARG 61 -3.221 3.299 -4.508
460 1HD ARG 61 2HD ARG 61 -2.456 4.550 -6.358
461 2HD ARG 61 1HD ARG 61 -2.619 5.696 -5.029
462 HE ARG 61 HE ARG 61 0.022 4.577 -5.322
463 1HH1 ARG 61 1HH1 ARG 61 -2.140 7.147 -6.270
464 2HH1 ARG 61 2HH1 ARG 61 -0.862 8.235 -6.695
465 1HH2 ARG 61 1HH2 ARG 61 1.703 6.006 -5.880
466 2HH2 ARG 61 2HH2 ARG 61 1.321 7.587 -6.474
467 H LEU 62 H LEU 62 -0.456 1.424 -1.450
468 HA LEU 62 HA LEU 62 0.373 2.767 1.035
469 1HB LEU 62 2HB LEU 62 0.747 -0.057 0.048
470 2HB LEU 62 1HB LEU 62 1.572 0.577 1.454
471 HG LEU 62 HG LEU 62 -0.271 0.447 2.778
472 1HD1 LEU 62 1HD1 LEU 62 -2.583 0.706 2.027
473 2HD1 LEU 62 2HD1 LEU 62 -2.027 0.847 0.359
474 3HD1 LEU 62 3HD1 LEU 62 -1.589 2.080 1.541
475 1HD2 LEU 62 1HD2 LEU 62 0.111 -1.799 1.926
476 2HD2 LEU 62 2HD2 LEU 62 -0.994 -1.491 0.587
477 3HD2 LEU 62 3HD2 LEU 62 -1.605 -1.532 2.242
478 H ILE 63 H ILE 63 2.497 3.405 1.336
479 HA ILE 63 HA ILE 63 4.162 3.370 -1.092
480 HB ILE 63 HB ILE 63 4.906 5.098 1.206
481 1HG1 ILE 63 2HG1 ILE 63 2.576 5.592 1.190
482 2HG1 ILE 63 1HG1 ILE 63 3.373 6.891 0.309
483 1HG2 ILE 63 1HG2 ILE 63 6.366 5.299 -0.566
484 2HG2 ILE 63 2HG2 ILE 63 5.269 6.656 -0.826
485 3HG2 ILE 63 3HG2 ILE 63 5.085 5.177 -1.773
486 1HD1 ILE 63 1HD1 ILE 63 2.775 5.288 -1.734
487 2HD1 ILE 63 2HD1 ILE 63 1.684 6.527 -1.109
488 3HD1 ILE 63 3HD1 ILE 63 1.479 4.845 -0.622
489 H GLY 64 H GLY 64 5.675 1.840 -1.103
490 1HA GLY 64 2HA GLY 64 6.682 0.723 1.376
491 2HA GLY 64 1HA GLY 64 7.086 0.193 -0.250
492 H LYS 65 H LYS 65 8.441 1.371 2.416
493 HA LYS 65 HA LYS 65 9.961 3.572 1.798
494 1HB LYS 65 2HB LYS 65 10.300 1.243 3.590
495 2HB LYS 65 1HB LYS 65 11.764 2.146 3.222
496 1HG LYS 65 2HG LYS 65 10.694 4.198 4.011
497 2HG LYS 65 1HG LYS 65 9.233 3.286 4.390
498 1HD LYS 65 2HD LYS 65 10.542 1.904 5.963
499 2HD LYS 65 1HD LYS 65 11.962 2.894 5.618
500 1HE LYS 65 2HE LYS 65 10.528 4.883 6.337
501 2HE LYS 65 1HE LYS 65 9.413 3.687 6.998
502 1HZ LYS 65 1HZ LYS 65 11.443 2.791 8.214
503 2HZ LYS 65 2HZ LYS 65 10.793 4.251 8.768
504 3HZ LYS 65 3HZ LYS 65 12.194 4.255 7.820
505 H VAL 66 H VAL 66 12.120 3.855 1.041
506 HA VAL 66 HA VAL 66 12.966 1.774 -0.866
507 HB VAL 66 HB VAL 66 12.086 4.086 -1.711
508 1HG1 VAL 66 1HG1 VAL 66 14.894 4.980 -1.635
509 2HG1 VAL 66 2HG1 VAL 66 13.970 5.135 -0.140
510 3HG1 VAL 66 3HG1 VAL 66 13.399 5.917 -1.614
511 1HG2 VAL 66 1HG2 VAL 66 12.789 3.154 -3.590
512 2HG2 VAL 66 2HG2 VAL 66 13.973 2.195 -2.704
513 3HG2 VAL 66 3HG2 VAL 66 14.400 3.805 -3.284
514 H ASP 67 H ASP 67 15.401 2.990 -1.563
515 HA ASP 67 HA ASP 67 17.003 3.560 0.712
516 1HB ASP 67 2HB ASP 67 16.847 0.749 -0.275
517 2HB ASP 67 1HB ASP 67 18.424 1.368 0.207
518 H GLU 68 H GLU 68 16.977 5.152 -1.243
519 HA GLU 68 HA GLU 68 18.289 4.719 -3.612
520 1HB GLU 68 2HB GLU 68 19.070 7.194 -3.287
521 2HB GLU 68 1HB GLU 68 17.362 6.829 -3.477
522 1HG GLU 68 2HG GLU 68 16.935 7.132 -1.185
523 2HG GLU 68 1HG GLU 68 18.651 7.088 -0.781
524 H SER 69 H SER 69 19.635 4.987 -0.450
525 HA SER 69 HA SER 69 22.279 5.611 -0.994
526 1HB SER 69 2HB SER 69 21.264 3.684 1.108
527 2HB SER 69 1HB SER 69 22.830 4.494 1.115
528 HG SER 69 HG SER 69 21.865 6.393 1.544
529 H LYS 70 H LYS 70 20.530 2.791 -1.837
530 HA LYS 70 HA LYS 70 22.596 0.887 -1.891
531 1HB LYS 70 2HB LYS 70 20.086 1.127 -3.553
532 2HB LYS 70 1HB LYS 70 21.152 -0.271 -3.593
533 1HG LYS 70 2HG LYS 70 19.776 0.737 -1.113
534 2HG LYS 70 1HG LYS 70 19.159 -0.555 -2.147
535 1HD LYS 70 2HD LYS 70 21.281 -1.796 -1.748
536 2HD LYS 70 1HD LYS 70 21.746 -0.542 -0.597
537 1HE LYS 70 2HE LYS 70 20.697 -2.624 0.383
538 2HE LYS 70 1HE LYS 70 19.977 -1.089 0.865
539 1HZ LYS 70 1HZ LYS 70 18.103 -1.475 -0.380
540 2HZ LYS 70 2HZ LYS 70 18.473 -3.045 0.129
541 3HZ LYS 70 3HZ LYS 70 18.873 -2.549 -1.437
542 H LYS 71 H LYS 71 21.576 3.321 -4.222
543 HA LYS 71 HA LYS 71 22.550 4.139 -6.105
544 1HB LYS 71 2HB LYS 71 24.884 3.012 -4.616
545 2HB LYS 71 1HB LYS 71 25.117 3.565 -6.268
546 1HG LYS 71 2HG LYS 71 25.610 5.486 -5.176
547 2HG LYS 71 1HG LYS 71 23.865 5.704 -5.334
548 1HD LYS 71 2HD LYS 71 23.508 4.911 -3.092
549 2HD LYS 71 1HD LYS 71 25.214 4.488 -2.927
550 1HE LYS 71 2HE LYS 71 25.552 7.037 -3.499
551 2HE LYS 71 1HE LYS 71 23.902 7.163 -2.895
552 1HZ LYS 71 1HZ LYS 71 26.032 7.314 -1.333
553 2HZ LYS 71 2HZ LYS 71 25.762 5.645 -1.253
554 3HZ LYS 71 3HZ LYS 71 24.541 6.721 -0.793
555 H ARG 72 H ARG 72 21.421 2.960 -7.610
556 HA ARG 72 HA ARG 72 22.607 0.426 -8.507
557 1HB ARG 72 2HB ARG 72 19.867 1.607 -8.989
558 2HB ARG 72 1HB ARG 72 20.438 0.104 -9.703
559 1HG ARG 72 2HG ARG 72 20.256 0.591 -6.740
560 2HG ARG 72 1HG ARG 72 18.988 -0.177 -7.699
561 1HD ARG 72 2HD ARG 72 20.664 -1.878 -8.416
562 2HD ARG 72 1HD ARG 72 21.810 -1.156 -7.288
563 HE ARG 72 HE ARG 72 19.673 -1.693 -5.726
564 1HH1 ARG 72 1HH1 ARG 72 21.527 -3.624 -7.964
565 2HH1 ARG 72 2HH1 ARG 72 21.252 -5.104 -7.109
566 1HH2 ARG 72 1HH2 ARG 72 19.310 -3.639 -4.598
567 2HH2 ARG 72 2HH2 ARG 72 19.993 -5.113 -5.198
568 H LYS 73 H LYS 73 22.769 0.031 -10.812
569 HA LYS 73 HA LYS 73 23.294 2.511 -12.309
570 1HB LYS 73 2HB LYS 73 24.537 -0.226 -12.619
571 2HB LYS 73 1HB LYS 73 24.869 1.149 -13.663
572 1HG LYS 73 2HG LYS 73 25.259 1.933 -10.948
573 2HG LYS 73 1HG LYS 73 26.143 0.437 -11.253
574 1HD LYS 73 2HD LYS 73 26.919 1.665 -13.419
575 2HD LYS 73 1HD LYS 73 26.451 3.121 -12.537
576 1HE LYS 73 2HE LYS 73 28.419 1.034 -11.602
577 2HE LYS 73 1HE LYS 73 28.825 2.626 -12.241
578 1HZ LYS 73 1HZ LYS 73 28.157 3.660 -10.343
579 2HZ LYS 73 2HZ LYS 73 28.649 2.187 -9.675
580 3HZ LYS 73 3HZ LYS 73 27.007 2.483 -9.950
581 H ASP 74 H ASP 74 22.593 2.706 -14.427
582 HA ASP 74 HA ASP 74 20.358 0.963 -15.122
583 1HB ASP 74 2HB ASP 74 19.814 2.693 -16.799
584 2HB ASP 74 1HB ASP 74 19.942 3.362 -15.175
585 H ASN 75 H ASN 75 20.092 0.685 -17.616
586 HA ASN 75 HA ASN 75 22.116 -1.053 -18.484
587 1HB ASN 75 2HB ASN 75 19.683 -1.067 -19.184
588 2HB ASN 75 1HB ASN 75 20.069 0.269 -20.265
589 1HD2 ASN 75 1HD2 ASN 75 20.448 -0.314 -22.264
590 2HD2 ASN 75 2HD2 ASN 75 21.109 -1.823 -22.784
591 H GLU 76 H GLU 76 21.869 2.351 -18.695
592 HA GLU 76 HA GLU 76 23.629 2.580 -20.987
593 1HB GLU 76 2HB GLU 76 22.535 4.709 -19.141
594 2HB GLU 76 1HB GLU 76 23.411 5.002 -20.638
595 1HG GLU 76 2HG GLU 76 21.617 3.847 -21.875
596 2HG GLU 76 1HG GLU 76 20.728 3.666 -20.363
597 H GLY 77 H GLY 77 24.267 1.603 -18.008
598 1HA GLY 77 2HA GLY 77 26.264 1.435 -16.871
599 2HA GLY 77 1HA GLY 77 27.011 2.402 -18.132
600 H ASN 78 H ASN 78 24.267 3.900 -16.838
601 HA ASN 78 HA ASN 78 25.984 5.658 -15.223
602 1HB ASN 78 2HB ASN 78 23.292 6.212 -16.491
603 2HB ASN 78 1HB ASN 78 24.220 7.362 -15.531
604 1HD2 ASN 78 1HD2 ASN 78 23.517 6.368 -18.592
605 2HD2 ASN 78 2HD2 ASN 78 24.872 7.041 -19.427
606 H GLU 79 H GLU 79 25.371 6.268 -13.151
607 HA GLU 79 HA GLU 79 23.857 4.325 -11.703
608 1HB GLU 79 2HB GLU 79 25.024 6.967 -10.805
609 2HB GLU 79 1HB GLU 79 24.356 5.741 -9.736
610 1HG GLU 79 2HG GLU 79 26.077 4.163 -10.510
611 2HG GLU 79 1HG GLU 79 26.766 5.439 -11.515
612 H VAL 80 H VAL 80 21.941 4.621 -10.537
613 HA VAL 80 HA VAL 80 20.362 7.008 -11.178
614 HB VAL 80 HB VAL 80 18.466 5.837 -11.875
615 1HG1 VAL 80 1HG1 VAL 80 19.136 4.619 -13.784
616 2HG1 VAL 80 2HG1 VAL 80 20.648 4.118 -13.026
617 3HG1 VAL 80 3HG1 VAL 80 20.408 5.804 -13.488
618 1HG2 VAL 80 1HG2 VAL 80 18.532 3.221 -11.808
619 2HG2 VAL 80 2HG2 VAL 80 18.079 4.132 -10.365
620 3HG2 VAL 80 3HG2 VAL 80 19.713 3.480 -10.524
621 H VAL 81 H VAL 81 18.517 7.321 -9.754
622 HA VAL 81 HA VAL 81 19.074 6.297 -7.060
623 HB VAL 81 HB VAL 81 17.260 8.592 -7.816
624 1HG1 VAL 81 1HG1 VAL 81 16.637 8.017 -5.683
625 2HG1 VAL 81 2HG1 VAL 81 17.931 9.167 -5.347
626 3HG1 VAL 81 3HG1 VAL 81 18.245 7.434 -5.253
627 1HG2 VAL 81 1HG2 VAL 81 19.024 10.111 -7.376
628 2HG2 VAL 81 2HG2 VAL 81 19.674 8.905 -8.488
629 3HG2 VAL 81 3HG2 VAL 81 20.074 8.828 -6.773
630 HA PRO 82 HA PRO 82 15.694 3.420 -8.138
631 1HB PRO 82 2HB PRO 82 16.120 2.978 -5.206
632 2HB PRO 82 1HB PRO 82 15.864 1.796 -6.496
633 1HG PRO 82 2HG PRO 82 18.305 2.260 -5.515
634 2HG PRO 82 1HG PRO 82 18.048 1.932 -7.239
635 1HD PRO 82 2HD PRO 82 18.724 4.477 -5.881
636 2HD PRO 82 1HD PRO 82 19.063 3.952 -7.539
637 H LYS 83 H LYS 83 13.509 3.515 -7.827
638 HA LYS 83 HA LYS 83 12.517 5.770 -6.247
639 1HB LYS 83 2HB LYS 83 11.511 4.229 -8.589
640 2HB LYS 83 1HB LYS 83 10.316 4.929 -7.508
641 1HG LYS 83 2HG LYS 83 10.968 7.102 -7.984
642 2HG LYS 83 1HG LYS 83 12.545 6.599 -8.594
643 1HD LYS 83 2HD LYS 83 10.081 5.666 -9.992
644 2HD LYS 83 1HD LYS 83 10.638 7.322 -10.245
645 1HE LYS 83 2HE LYS 83 12.957 5.973 -10.547
646 2HE LYS 83 1HE LYS 83 11.810 4.765 -11.128
647 1HZ LYS 83 1HZ LYS 83 12.543 7.336 -12.280
648 2HZ LYS 83 2HZ LYS 83 10.915 6.895 -12.409
649 3HZ LYS 83 3HZ LYS 83 12.115 5.888 -13.045
650 HA PRO 84 HA PRO 84 10.847 3.314 -3.045
651 1HB PRO 84 2HB PRO 84 8.628 5.226 -2.858
652 2HB PRO 84 1HB PRO 84 9.913 4.873 -1.695
653 1HG PRO 84 2HG PRO 84 9.914 7.160 -3.033
654 2HG PRO 84 1HG PRO 84 11.430 6.301 -2.745
655 1HD PRO 84 2HD PRO 84 9.718 6.307 -5.211
656 2HD PRO 84 1HD PRO 84 11.470 6.586 -5.060
657 H GLN 85 H GLN 85 9.386 1.701 -2.689
658 HA GLN 85 HA GLN 85 7.767 0.832 -4.832
659 1HB GLN 85 2HB GLN 85 8.071 -0.036 -1.972
660 2HB GLN 85 1HB GLN 85 6.842 -0.756 -3.003
661 1HG GLN 85 2HG GLN 85 9.821 -0.803 -3.406
662 2HG GLN 85 1HG GLN 85 8.765 -2.162 -3.021
663 1HE2 GLN 85 1HE2 GLN 85 10.568 -1.120 -5.377
664 2HE2 GLN 85 2HE2 GLN 85 9.625 -1.542 -6.763
665 H ARG 86 H ARG 86 5.499 0.621 -4.958
666 HA ARG 86 HA ARG 86 3.861 2.117 -3.075
667 1HB ARG 86 2HB ARG 86 3.986 2.811 -6.018
668 2HB ARG 86 1HB ARG 86 2.796 3.438 -4.885
669 1HG ARG 86 2HG ARG 86 4.659 4.430 -3.572
670 2HG ARG 86 1HG ARG 86 5.768 3.918 -4.846
671 1HD ARG 86 2HD ARG 86 4.313 5.222 -6.451
672 2HD ARG 86 1HD ARG 86 3.507 5.896 -5.035
673 HE ARG 86 HE ARG 86 6.341 6.200 -4.902
674 1HH1 ARG 86 1HH1 ARG 86 3.444 7.541 -6.313
675 2HH1 ARG 86 2HH1 ARG 86 4.113 9.128 -6.487
676 1HH2 ARG 86 1HH2 ARG 86 7.221 8.287 -5.129
677 2HH2 ARG 86 2HH2 ARG 86 6.258 9.552 -5.816
678 H HIS 87 H HIS 87 2.168 0.868 -2.638
679 HA HIS 87 HA HIS 87 1.337 -1.141 -4.603
680 1HB HIS 87 2HB HIS 87 0.477 -0.907 -1.716
681 2HB HIS 87 1HB HIS 87 0.265 -2.291 -2.782
682 HD1 HIS 87 HD1 HIS 87 2.547 -3.536 -3.491
683 HD2 HIS 87 HD2 HIS 87 2.799 -0.911 -0.280
684 HE1 HIS 87 HE1 HIS 87 4.692 -4.118 -2.313
685 HE2 HIS 87 HE2 HIS 87 4.780 -2.573 -0.325
686 H MET 88 H MET 88 -0.864 -1.425 -5.162
687 HA MET 88 HA MET 88 -2.597 0.881 -4.577
688 1HB MET 88 2HB MET 88 -1.518 0.853 -6.908
689 2HB MET 88 1HB MET 88 -2.583 -0.503 -7.249
690 1HG MET 88 2HG MET 88 -3.917 1.840 -6.102
691 2HG MET 88 1HG MET 88 -3.189 2.103 -7.687
692 1HE MET 88 1HE MET 88 -6.081 2.562 -7.166
693 2HE MET 88 2HE MET 88 -7.084 1.572 -8.227
694 3HE MET 88 3HE MET 88 -5.746 2.504 -8.897
695 H PHE 89 H PHE 89 -4.445 0.307 -3.680
696 HA PHE 89 HA PHE 89 -5.576 -2.336 -4.315
697 1HB PHE 89 2HB PHE 89 -5.449 -0.983 -1.613
698 2HB PHE 89 1HB PHE 89 -6.410 -2.418 -1.954
699 HD1 PHE 89 HD1 PHE 89 -2.999 -1.095 -1.625
700 HD2 PHE 89 HD2 PHE 89 -5.398 -4.570 -2.158
701 HE1 PHE 89 HE1 PHE 89 -1.048 -2.512 -1.131
702 HE2 PHE 89 HE2 PHE 89 -3.452 -5.992 -1.663
703 HZ PHE 89 HZ PHE 89 -1.275 -4.964 -1.148
704 H SER 90 H SER 90 -7.894 -2.486 -4.146
705 HA SER 90 HA SER 90 -9.271 0.113 -4.198
706 1HB SER 90 2HB SER 90 -9.039 -0.584 -6.503
707 2HB SER 90 1HB SER 90 -9.663 -2.189 -6.122
708 HG SER 90 HG SER 90 -11.145 0.194 -5.732
709 H PHE 91 H PHE 91 -11.140 0.226 -3.089
710 HA PHE 91 HA PHE 91 -12.284 -2.290 -2.069
711 1HB PHE 91 2HB PHE 91 -12.078 0.289 -0.505
712 2HB PHE 91 1HB PHE 91 -12.686 -1.256 0.080
713 HD1 PHE 91 HD1 PHE 91 -9.606 0.174 -1.467
714 HD2 PHE 91 HD2 PHE 91 -11.275 -2.545 1.348
715 HE1 PHE 91 HE1 PHE 91 -7.345 -0.414 -0.700
716 HE2 PHE 91 HE2 PHE 91 -9.016 -3.139 2.119
717 HZ PHE 91 HZ PHE 91 -7.046 -2.073 1.096
718 H ASN 92 H ASN 92 -14.533 -2.329 -1.782
719 HA ASN 92 HA ASN 92 -15.942 -0.328 -3.370
720 1HB ASN 92 2HB ASN 92 -16.948 -2.958 -2.286
721 2HB ASN 92 1HB ASN 92 -17.792 -1.902 -3.415
722 1HD2 ASN 92 1HD2 ASN 92 -17.225 -4.585 -3.925
723 2HD2 ASN 92 2HD2 ASN 92 -16.112 -4.669 -5.244
724 H ASN 93 H ASN 93 -15.560 -1.376 -0.115
725 HA ASN 93 HA ASN 93 -17.840 0.270 0.738
726 1HB ASN 93 2HB ASN 93 -16.314 -1.899 2.187
727 2HB ASN 93 1HB ASN 93 -17.557 -0.903 2.939
728 1HD2 ASN 93 1HD2 ASN 93 -17.695 -3.676 2.790
729 2HD2 ASN 93 2HD2 ASN 93 -19.017 -4.111 1.768
730 H ARG 94 H ARG 94 -17.342 2.268 1.330
731 HA ARG 94 HA ARG 94 -14.770 3.245 1.734
732 1HB ARG 94 2HB ARG 94 -16.809 4.605 1.209
733 2HB ARG 94 1HB ARG 94 -17.300 4.417 2.888
734 1HG ARG 94 2HG ARG 94 -14.588 5.490 2.366
735 2HG ARG 94 1HG ARG 94 -15.967 6.537 2.030
736 1HD ARG 94 2HD ARG 94 -16.787 6.129 4.326
737 2HD ARG 94 1HD ARG 94 -15.340 5.174 4.646
738 HE ARG 94 HE ARG 94 -14.781 7.834 3.717
739 1HH1 ARG 94 1HH1 ARG 94 -15.475 5.872 6.519
740 2HH1 ARG 94 2HH1 ARG 94 -14.715 6.965 7.627
741 1HH2 ARG 94 1HH2 ARG 94 -13.782 9.273 5.174
742 2HH2 ARG 94 2HH2 ARG 94 -13.754 8.897 6.864
743 H THR 95 H THR 95 -17.020 1.810 3.957
744 HA THR 95 HA THR 95 -15.872 2.614 6.369
745 HB THR 95 HB THR 95 -17.100 -0.031 6.231
746 HG1 THR 95 HG1 THR 95 -18.843 0.517 5.217
747 1HG2 THR 95 1HG2 THR 95 -17.854 2.442 7.729
748 2HG2 THR 95 2HG2 THR 95 -16.831 1.146 8.347
749 3HG2 THR 95 3HG2 THR 95 -18.526 0.832 7.973
750 H VAL 96 H VAL 96 -15.360 -0.262 4.357
751 HA VAL 96 HA VAL 96 -13.594 -1.615 6.048
752 HB VAL 96 HB VAL 96 -13.609 -1.622 3.024
753 1HG1 VAL 96 1HG1 VAL 96 -12.819 -4.097 3.739
754 2HG1 VAL 96 2HG1 VAL 96 -12.104 -3.152 5.045
755 3HG1 VAL 96 3HG1 VAL 96 -11.704 -2.782 3.368
756 1HG2 VAL 96 1HG2 VAL 96 -15.763 -2.200 4.331
757 2HG2 VAL 96 2HG2 VAL 96 -14.906 -3.680 4.769
758 3HG2 VAL 96 3HG2 VAL 96 -15.208 -3.304 3.072
759 H MET 97 H MET 97 -12.959 0.791 3.520
760 HA MET 97 HA MET 97 -10.157 0.719 3.647
761 1HB MET 97 2HB MET 97 -11.963 3.047 2.965
762 2HB MET 97 1HB MET 97 -10.241 2.961 2.620
763 1HG MET 97 2HG MET 97 -11.220 0.658 1.486
764 2HG MET 97 1HG MET 97 -12.498 1.834 1.180
765 1HE MET 97 1HE MET 97 -11.348 4.307 1.166
766 2HE MET 97 2HE MET 97 -11.404 4.503 -0.585
767 3HE MET 97 3HE MET 97 -9.875 4.686 0.274
768 H ASP 98 H ASP 98 -12.560 2.320 5.612
769 HA ASP 98 HA ASP 98 -10.863 4.127 6.943
770 1HB ASP 98 2HB ASP 98 -13.374 4.197 6.944
771 2HB ASP 98 1HB ASP 98 -13.354 2.839 8.064
772 H ASN 99 H ASN 99 -11.505 0.747 7.376
773 HA ASN 99 HA ASN 99 -10.257 0.607 9.971
774 1HB ASN 99 2HB ASN 99 -11.027 -1.637 8.092
775 2HB ASN 99 1HB ASN 99 -10.600 -1.805 9.794
776 1HD2 ASN 99 1HD2 ASN 99 -13.103 -2.105 7.946
777 2HD2 ASN 99 2HD2 ASN 99 -14.362 -1.432 8.921
778 H ILE 100 H ILE 100 -9.431 -0.513 6.695
779 HA ILE 100 HA ILE 100 -6.924 -1.593 7.292
780 HB ILE 100 HB ILE 100 -7.756 -0.249 4.715
781 1HG1 ILE 100 2HG1 ILE 100 -9.292 -2.070 5.518
782 2HG1 ILE 100 1HG1 ILE 100 -8.528 -2.394 3.965
783 1HG2 ILE 100 1HG2 ILE 100 -5.443 -0.537 4.584
784 2HG2 ILE 100 2HG2 ILE 100 -6.097 -1.959 3.773
785 3HG2 ILE 100 3HG2 ILE 100 -5.493 -2.085 5.426
786 1HD1 ILE 100 1HD1 ILE 100 -6.841 -3.773 5.176
787 2HD1 ILE 100 2HD1 ILE 100 -8.491 -4.398 5.234
788 3HD1 ILE 100 3HD1 ILE 100 -7.808 -3.565 6.637
789 H LYS 101 H LYS 101 -7.728 1.642 6.058
790 HA LYS 101 HA LYS 101 -5.120 2.654 6.057
791 1HB LYS 101 2HB LYS 101 -7.293 3.604 5.019
792 2HB LYS 101 1HB LYS 101 -7.531 4.361 6.587
793 1HG LYS 101 2HG LYS 101 -4.952 5.048 6.014
794 2HG LYS 101 1HG LYS 101 -5.706 5.060 4.419
795 1HD LYS 101 2HD LYS 101 -6.632 6.567 6.862
796 2HD LYS 101 1HD LYS 101 -5.873 7.256 5.425
797 1HE LYS 101 2HE LYS 101 -8.022 5.814 4.431
798 2HE LYS 101 1HE LYS 101 -8.646 6.549 5.907
799 1HZ LYS 101 1HZ LYS 101 -8.536 8.600 5.033
800 2HZ LYS 101 2HZ LYS 101 -8.570 7.789 3.550
801 3HZ LYS 101 3HZ LYS 101 -7.094 8.304 4.198
802 H MET 102 H MET 102 -7.490 2.369 8.573
803 HA MET 102 HA MET 102 -6.096 4.064 10.430
804 1HB MET 102 2HB MET 102 -8.537 2.352 10.536
805 2HB MET 102 1HB MET 102 -7.768 2.808 12.049
806 1HG MET 102 2HG MET 102 -7.901 5.201 11.232
807 2HG MET 102 1HG MET 102 -8.968 4.602 9.965
808 1HE MET 102 1HE MET 102 -11.703 2.870 12.333
809 2HE MET 102 2HE MET 102 -10.320 2.266 11.419
810 3HE MET 102 3HE MET 102 -11.480 3.351 10.651
811 H THR 103 H THR 103 -6.438 0.583 9.892
812 HA THR 103 HA THR 103 -4.956 -0.149 12.213
813 HB THR 103 HB THR 103 -6.421 -1.465 10.147
814 HG1 THR 103 HG1 THR 103 -6.306 -3.158 11.788
815 1HG2 THR 103 1HG2 THR 103 -3.743 -2.657 10.746
816 2HG2 THR 103 2HG2 THR 103 -4.359 -2.155 9.171
817 3HG2 THR 103 3HG2 THR 103 -5.093 -3.525 10.011
818 H LEU 104 H LEU 104 -4.115 0.261 8.799
819 HA LEU 104 HA LEU 104 -1.480 -0.704 9.014
820 1HB LEU 104 2HB LEU 104 -2.978 0.955 7.058
821 2HB LEU 104 1HB LEU 104 -1.226 0.989 6.972
822 HG LEU 104 HG LEU 104 -2.861 -1.544 6.861
823 1HD1 LEU 104 1HD1 LEU 104 -1.549 -0.136 4.550
824 2HD1 LEU 104 2HD1 LEU 104 -3.257 0.049 4.952
825 3HD1 LEU 104 3HD1 LEU 104 -2.623 -1.535 4.506
826 1HD2 LEU 104 1HD2 LEU 104 -0.099 -1.305 5.806
827 2HD2 LEU 104 2HD2 LEU 104 -0.915 -2.679 6.550
828 3HD2 LEU 104 3HD2 LEU 104 -0.304 -1.365 7.557
829 H GLN 105 H GLN 105 -2.881 2.495 9.478
830 HA GLN 105 HA GLN 105 -0.444 3.898 9.721
831 1HB GLN 105 2HB GLN 105 -3.266 4.458 10.068
832 2HB GLN 105 1HB GLN 105 -2.303 5.247 11.309
833 1HG GLN 105 2HG GLN 105 -1.356 6.680 9.858
834 2HG GLN 105 1HG GLN 105 -1.293 5.494 8.556
835 1HE2 GLN 105 1HE2 GLN 105 -1.959 7.724 7.583
836 2HE2 GLN 105 2HE2 GLN 105 -3.660 7.928 7.355
837 H GLN 106 H GLN 106 -2.294 1.966 11.916
838 HA GLN 106 HA GLN 106 -1.123 2.892 14.327
839 1HB GLN 106 2HB GLN 106 -2.585 0.368 13.578
840 2HB GLN 106 1HB GLN 106 -1.930 0.613 15.192
841 1HG GLN 106 2HG GLN 106 -3.323 2.535 15.529
842 2HG GLN 106 1HG GLN 106 -3.888 2.468 13.860
843 1HE2 GLN 106 1HE2 GLN 106 -5.632 2.491 15.996
844 2HE2 GLN 106 2HE2 GLN 106 -6.435 0.965 16.093
845 H ILE 107 H ILE 107 -0.272 0.398 12.000
846 HA ILE 107 HA ILE 107 1.751 -0.831 13.562
847 HB ILE 107 HB ILE 107 1.482 -0.774 10.551
848 1HG1 ILE 107 2HG1 ILE 107 0.556 -2.937 12.442
849 2HG1 ILE 107 1HG1 ILE 107 -0.503 -1.641 11.893
850 1HG2 ILE 107 1HG2 ILE 107 3.657 -1.514 11.037
851 2HG2 ILE 107 2HG2 ILE 107 2.719 -2.985 10.787
852 3HG2 ILE 107 3HG2 ILE 107 3.115 -2.461 12.423
853 1HD1 ILE 107 1HD1 ILE 107 0.109 -2.390 9.532
854 2HD1 ILE 107 2HD1 ILE 107 -0.966 -3.424 10.473
855 3HD1 ILE 107 3HD1 ILE 107 0.737 -3.848 10.299
856 H ILE 108 H ILE 108 1.860 1.645 11.018
857 HA ILE 108 HA ILE 108 4.644 1.986 10.957
858 HB ILE 108 HB ILE 108 2.813 4.337 10.640
859 1HG1 ILE 108 2HG1 ILE 108 3.268 2.533 8.304
860 2HG1 ILE 108 1HG1 ILE 108 2.002 2.123 9.454
861 1HG2 ILE 108 1HG2 ILE 108 4.396 5.044 8.996
862 2HG2 ILE 108 2HG2 ILE 108 5.216 3.483 9.042
863 3HG2 ILE 108 3HG2 ILE 108 5.280 4.554 10.442
864 1HD1 ILE 108 1HD1 ILE 108 0.824 3.361 7.953
865 2HD1 ILE 108 2HD1 ILE 108 2.187 4.420 7.589
866 3HD1 ILE 108 3HD1 ILE 108 1.300 4.611 9.103
867 H SER 109 H SER 109 2.221 3.972 12.515
868 HA SER 109 HA SER 109 3.855 5.578 14.052
869 1HB SER 109 2HB SER 109 1.332 5.751 13.775
870 2HB SER 109 1HB SER 109 1.203 4.523 15.034
871 HG SER 109 HG SER 109 2.430 7.072 15.269
872 H ARG 110 H ARG 110 2.969 2.260 14.523
873 HA ARG 110 HA ARG 110 3.692 2.019 17.243
874 1HB ARG 110 2HB ARG 110 2.675 0.060 16.841
875 2HB ARG 110 1HB ARG 110 2.798 0.321 15.109
876 1HG ARG 110 2HG ARG 110 4.930 -0.729 15.023
877 2HG ARG 110 1HG ARG 110 5.015 -0.821 16.783
878 1HD ARG 110 2HD ARG 110 3.033 -2.303 16.759
879 2HD ARG 110 1HD ARG 110 3.056 -2.262 14.998
880 HE ARG 110 HE ARG 110 4.799 -3.749 15.015
881 1HH1 ARG 110 1HH1 ARG 110 4.401 -2.429 18.223
882 2HH1 ARG 110 2HH1 ARG 110 5.524 -3.528 18.949
883 1HH2 ARG 110 1HH2 ARG 110 6.278 -5.194 15.970
884 2HH2 ARG 110 2HH2 ARG 110 6.590 -5.097 17.671
885 H TYR 111 H TYR 111 5.380 1.353 14.243
886 HA TYR 111 HA TYR 111 7.859 0.703 15.531
887 1HB TYR 111 2HB TYR 111 7.205 1.299 12.638
888 2HB TYR 111 1HB TYR 111 8.777 0.749 13.208
889 HD1 TYR 111 HD1 TYR 111 6.035 -0.360 11.556
890 HD2 TYR 111 HD2 TYR 111 8.374 -1.398 14.955
891 HE1 TYR 111 HE1 TYR 111 5.286 -2.693 11.353
892 HE2 TYR 111 HE2 TYR 111 7.633 -3.733 14.761
893 HH TYR 111 HH TYR 111 5.847 -5.025 13.809
894 H LYS 112 H LYS 112 6.351 3.561 14.255
895 HA LYS 112 HA LYS 112 8.631 5.185 13.983
896 1HB LYS 112 2HB LYS 112 5.753 5.893 14.559
897 2HB LYS 112 1HB LYS 112 6.999 7.079 14.197
898 1HG LYS 112 2HG LYS 112 7.235 5.306 12.118
899 2HG LYS 112 1HG LYS 112 5.495 5.338 12.415
900 1HD LYS 112 2HD LYS 112 5.910 7.940 12.510
901 2HD LYS 112 1HD LYS 112 7.318 7.519 11.532
902 1HE LYS 112 2HE LYS 112 4.649 6.414 10.794
903 2HE LYS 112 1HE LYS 112 5.016 8.095 10.407
904 1HZ LYS 112 1HZ LYS 112 6.957 7.362 9.181
905 2HZ LYS 112 2HZ LYS 112 5.569 6.607 8.579
906 3HZ LYS 112 3HZ LYS 112 6.634 5.747 9.572
907 H ASP 113 H ASP 113 6.350 4.758 16.668
908 HA ASP 113 HA ASP 113 7.560 6.584 18.430
909 1HB ASP 113 2HB ASP 113 5.814 4.170 18.911
910 2HB ASP 113 1HB ASP 113 6.352 5.230 20.211
911 H ALA 114 H ALA 114 8.100 3.152 17.851
912 HA ALA 114 HA ALA 114 9.835 2.687 20.026
913 1HB ALA 114 1HB ALA 114 10.658 0.846 18.253
914 2HB ALA 114 2HB ALA 114 9.103 1.277 17.541
915 3HB ALA 114 3HB ALA 114 9.181 0.689 19.202
916 H ASP 115 H ASP 115 10.366 3.896 16.772
917 HA ASP 115 HA ASP 115 13.125 4.547 17.535
918 1HB ASP 115 2HB ASP 115 12.242 3.318 14.917
919 2HB ASP 115 1HB ASP 115 13.835 4.020 15.190
920 H LEU 45 1H LEU 45 -3.596 3.801 -17.935
921 HA LEU 45 HA LEU 45 -2.209 1.979 -19.780
922 1HB LEU 45 2HB LEU 45 -2.376 4.992 -19.652
923 2HB LEU 45 1HB LEU 45 -1.620 4.037 -20.914
924 HG LEU 45 HG LEU 45 -4.578 4.039 -20.302
925 1HD1 LEU 45 1HD1 LEU 45 -4.421 6.079 -21.267
926 2HD1 LEU 45 2HD1 LEU 45 -4.400 5.114 -22.743
927 3HD1 LEU 45 3HD1 LEU 45 -2.888 5.710 -22.059
928 1HD2 LEU 45 1HD2 LEU 45 -4.848 2.456 -21.878
929 2HD2 LEU 45 2HD2 LEU 45 -3.165 2.074 -21.514
930 3HD2 LEU 45 3HD2 LEU 45 -3.558 3.099 -22.895
931 H SER 46 H SER 46 -1.615 4.869 -17.767
932 HA SER 46 HA SER 46 0.877 3.607 -16.844
933 1HB SER 46 2HB SER 46 1.675 5.192 -18.394
934 2HB SER 46 1HB SER 46 0.474 6.392 -17.918
935 HG SER 46 HG SER 46 2.244 7.069 -16.891
936 HA PRO 47 HA PRO 47 -0.312 4.412 -12.686
937 1HB PRO 47 2HB PRO 47 2.372 5.658 -12.348
938 2HB PRO 47 1HB PRO 47 1.598 4.381 -11.403
939 1HG PRO 47 2HG PRO 47 3.531 3.798 -13.134
940 2HG PRO 47 1HG PRO 47 2.125 2.733 -12.951
941 1HD PRO 47 2HD PRO 47 2.764 4.677 -15.125
942 2HD PRO 47 1HD PRO 47 1.957 3.097 -15.221
943 H ASP 48 H ASP 48 1.224 6.990 -14.518
944 HA ASP 48 HA ASP 48 0.724 9.160 -12.858
945 1HB ASP 48 2HB ASP 48 0.786 8.989 -15.875
946 2HB ASP 48 1HB ASP 48 0.712 10.508 -14.989
947 H ASP 49 H ASP 49 -1.476 7.263 -14.716
948 HA ASP 49 HA ASP 49 -3.561 9.232 -14.760
949 1HB ASP 49 2HB ASP 49 -3.592 6.286 -15.425
950 2HB ASP 49 1HB ASP 49 -4.948 7.380 -15.671
951 H ILE 50 H ILE 50 -2.753 6.376 -12.865
952 HA ILE 50 HA ILE 50 -5.189 6.437 -11.353
953 HB ILE 50 HB ILE 50 -2.644 4.947 -10.723
954 1HG1 ILE 50 2HG1 ILE 50 -3.524 4.405 -12.972
955 2HG1 ILE 50 1HG1 ILE 50 -3.650 3.043 -11.863
956 1HG2 ILE 50 1HG2 ILE 50 -5.483 4.461 -9.829
957 2HG2 ILE 50 2HG2 ILE 50 -4.202 5.159 -8.839
958 3HG2 ILE 50 3HG2 ILE 50 -4.074 3.491 -9.400
959 1HD1 ILE 50 1HD1 ILE 50 -5.701 2.960 -12.836
960 2HD1 ILE 50 2HD1 ILE 50 -5.779 4.704 -13.085
961 3HD1 ILE 50 3HD1 ILE 50 -6.063 4.028 -11.480
962 H GLU 51 H GLU 51 -2.015 7.790 -11.014
963 HA GLU 51 HA GLU 51 -2.155 8.327 -8.227
964 1HB GLU 51 2HB GLU 51 -0.202 9.677 -8.531
965 2HB GLU 51 1HB GLU 51 -0.040 8.264 -9.564
966 1HG GLU 51 2HG GLU 51 -0.674 9.569 -11.499
967 2HG GLU 51 1HG GLU 51 -0.935 10.987 -10.485
968 H GLN 52 H GLN 52 -3.273 9.995 -11.078
969 HA GLN 52 HA GLN 52 -3.706 12.526 -9.878
970 1HB GLN 52 2HB GLN 52 -4.098 11.317 -12.440
971 2HB GLN 52 1HB GLN 52 -5.586 12.129 -11.971
972 1HG GLN 52 2HG GLN 52 -4.224 14.170 -11.502
973 2HG GLN 52 1HG GLN 52 -2.843 13.335 -12.208
974 1HE2 GLN 52 1HE2 GLN 52 -4.061 12.024 -14.304
975 2HE2 GLN 52 2HE2 GLN 52 -4.630 13.185 -15.449
976 H TRP 53 H TRP 53 -5.533 9.564 -9.972
977 HA TRP 53 HA TRP 53 -8.093 10.455 -9.402
978 1HB TRP 53 2HB TRP 53 -6.602 7.952 -8.670
979 2HB TRP 53 1HB TRP 53 -8.252 8.208 -8.114
980 HD1 TRP 53 HD1 TRP 53 -6.825 9.009 -11.625
981 HE1 TRP 53 HE1 TRP 53 -8.209 7.705 -13.360
982 HE3 TRP 53 HE3 TRP 53 -9.849 6.384 -8.446
983 HZ2 TRP 53 HZ2 TRP 53 -10.304 5.813 -13.379
984 HZ3 TRP 53 HZ3 TRP 53 -11.515 4.847 -9.403
985 HH2 TRP 53 HH2 TRP 53 -11.739 4.570 -11.820
986 H PHE 54 H PHE 54 -5.333 10.039 -7.267
987 HA PHE 54 HA PHE 54 -6.873 10.644 -4.895
988 1HB PHE 54 2HB PHE 54 -3.904 10.263 -5.323
989 2HB PHE 54 1HB PHE 54 -4.652 10.539 -3.754
990 HD1 PHE 54 HD1 PHE 54 -4.338 8.177 -6.556
991 HD2 PHE 54 HD2 PHE 54 -5.794 8.797 -2.604
992 HE1 PHE 54 HE1 PHE 54 -4.724 5.760 -6.323
993 HE2 PHE 54 HE2 PHE 54 -6.181 6.379 -2.365
994 HZ PHE 54 HZ PHE 54 -5.646 4.857 -4.225
995 H THR 55 H THR 55 -4.906 12.343 -7.203
996 HA THR 55 HA THR 55 -4.443 14.641 -5.572
997 HB THR 55 HB THR 55 -3.763 13.737 -8.240
998 HG1 THR 55 HG1 THR 55 -2.606 15.440 -6.313
999 1HG2 THR 55 1HG2 THR 55 -4.451 16.620 -7.855
1000 2HG2 THR 55 2HG2 THR 55 -4.906 15.544 -9.176
1001 3HG2 THR 55 3HG2 THR 55 -3.238 16.093 -9.019
1002 H GLU 56 H GLU 56 -6.864 13.662 -7.903
1003 HA GLU 56 HA GLU 56 -8.745 14.679 -8.707
1004 1HB GLU 56 2HB GLU 56 -8.774 14.520 -5.891
1005 2HB GLU 56 1HB GLU 56 -9.513 16.060 -6.312
1006 1HG GLU 56 2HG GLU 56 -10.420 13.769 -7.905
1007 2HG GLU 56 1HG GLU 56 -10.827 13.701 -6.190
1008 H ASP 57 H ASP 57 -10.083 17.007 -8.057
1009 HA ASP 57 HA ASP 57 -8.129 19.100 -8.754
1010 1HB ASP 57 2HB ASP 57 -10.728 18.368 -10.000
1011 2HB ASP 57 1HB ASP 57 -10.359 20.086 -9.872
1012 HA PRO 58 HA PRO 58 -9.699 21.542 -5.442
1013 1HB PRO 58 2HB PRO 58 -9.704 24.052 -6.471
1014 2HB PRO 58 1HB PRO 58 -8.219 23.189 -6.054
1015 1HG PRO 58 2HG PRO 58 -9.519 23.542 -8.728
1016 2HG PRO 58 1HG PRO 58 -7.804 23.662 -8.295
1017 1HD PRO 58 2HD PRO 58 -8.864 21.456 -9.455
1018 2HD PRO 58 1HD PRO 58 -7.511 21.375 -8.308
Start of MODEL 10
1 HT1 PRO 1 HT2 PRO 1 -13.302 -5.178 9.698
2 HT2 PRO 1 HT1 PRO 1 -12.757 -5.242 11.313
3 HA PRO 1 HA PRO 1 -12.880 -3.095 9.574
4 1HB PRO 1 2HB PRO 1 -14.058 -1.822 11.744
5 2HB PRO 1 1HB PRO 1 -14.850 -2.188 10.207
6 1HG PRO 1 2HG PRO 1 -14.967 -3.661 12.794
7 2HG PRO 1 1HG PRO 1 -16.226 -3.439 11.569
8 1HD PRO 1 2HD PRO 1 -14.865 -5.772 11.862
9 2HD PRO 1 1HD PRO 1 -15.469 -5.212 10.289
10 H SER 2 H SER 2 -10.762 -4.336 10.486
11 HA SER 2 HA SER 2 -9.407 -2.382 12.060
12 1HB SER 2 2HB SER 2 -9.979 -5.077 13.309
13 2HB SER 2 1HB SER 2 -8.742 -3.965 13.896
14 HG SER 2 HG SER 2 -11.143 -3.967 14.695
15 H HIS 3 H HIS 3 -8.868 -5.886 11.876
16 HA HIS 3 HA HIS 3 -6.424 -5.326 10.333
17 1HB HIS 3 2HB HIS 3 -6.999 -7.604 12.237
18 2HB HIS 3 1HB HIS 3 -5.506 -7.386 11.327
19 HD1 HIS 3 HD1 HIS 3 -7.553 -5.555 13.941
20 HD2 HIS 3 HD2 HIS 3 -3.637 -5.870 12.591
21 HE1 HIS 3 HE1 HIS 3 -6.191 -4.145 15.509
22 HE2 HIS 3 HE2 HIS 3 -3.806 -4.441 14.744
23 H SER 4 H SER 4 -9.000 -5.657 9.183
24 HA SER 4 HA SER 4 -8.374 -7.488 7.134
25 1HB SER 4 2HB SER 4 -10.346 -9.014 7.431
26 2HB SER 4 1HB SER 4 -9.073 -9.230 8.637
27 HG SER 4 HG SER 4 -10.584 -8.892 10.049
28 H GLY 5 H GLY 5 -9.669 -7.220 5.332
29 1HA GLY 5 2HA GLY 5 -12.201 -5.996 5.337
30 2HA GLY 5 1HA GLY 5 -10.979 -4.763 5.063
31 H ALA 6 H ALA 6 -13.042 -6.830 3.610
32 HA ALA 6 HA ALA 6 -11.803 -8.036 1.522
33 1HB ALA 6 1HB ALA 6 -14.122 -8.327 1.847
34 2HB ALA 6 2HB ALA 6 -13.899 -7.654 0.230
35 3HB ALA 6 3HB ALA 6 -14.443 -6.618 1.551
36 H ALA 7 H ALA 7 -10.179 -7.214 0.398
37 HA ALA 7 HA ALA 7 -10.554 -4.572 -0.870
38 1HB ALA 7 1HB ALA 7 -8.736 -4.885 0.955
39 2HB ALA 7 2HB ALA 7 -8.320 -4.040 -0.538
40 3HB ALA 7 3HB ALA 7 -7.849 -5.727 -0.318
41 H ILE 8 H ILE 8 -9.734 -4.280 -2.992
42 HA ILE 8 HA ILE 8 -9.536 -6.782 -4.510
43 HB ILE 8 HB ILE 8 -10.465 -4.042 -5.213
44 1HG1 ILE 8 2HG1 ILE 8 -11.728 -6.111 -6.677
45 2HG1 ILE 8 1HG1 ILE 8 -11.517 -6.695 -5.031
46 1HG2 ILE 8 1HG2 ILE 8 -9.258 -5.921 -7.220
47 2HG2 ILE 8 2HG2 ILE 8 -8.744 -4.277 -6.851
48 3HG2 ILE 8 3HG2 ILE 8 -10.302 -4.562 -7.627
49 1HD1 ILE 8 1HD1 ILE 8 -12.973 -4.249 -5.944
50 2HD1 ILE 8 2HD1 ILE 8 -12.568 -4.568 -4.257
51 3HD1 ILE 8 3HD1 ILE 8 -13.623 -5.675 -5.135
52 H PHE 9 H PHE 9 -7.672 -7.426 -5.282
53 HA PHE 9 HA PHE 9 -5.479 -5.447 -5.430
54 1HB PHE 9 2HB PHE 9 -5.255 -7.371 -3.776
55 2HB PHE 9 1HB PHE 9 -5.102 -8.425 -5.179
56 HD1 PHE 9 HD1 PHE 9 -2.925 -9.105 -5.429
57 HD2 PHE 9 HD2 PHE 9 -3.713 -5.065 -4.345
58 HE1 PHE 9 HE1 PHE 9 -0.518 -8.608 -5.544
59 HE2 PHE 9 HE2 PHE 9 -1.308 -4.558 -4.460
60 HZ PHE 9 HZ PHE 9 0.292 -6.332 -5.060
61 H GLU 10 H GLU 10 -4.517 -5.077 -7.321
62 HA GLU 10 HA GLU 10 -4.104 -5.128 -9.560
63 1HB GLU 10 2HB GLU 10 -4.345 -8.117 -9.219
64 2HB GLU 10 1HB GLU 10 -3.523 -7.277 -10.527
65 1HG GLU 10 2HG GLU 10 -1.934 -6.346 -8.889
66 2HG GLU 10 1HG GLU 10 -2.730 -7.284 -7.625
67 H LYS 11 H LYS 11 -6.847 -4.850 -8.719
68 HA LYS 11 HA LYS 11 -8.850 -4.596 -9.787
69 1HB LYS 11 2HB LYS 11 -7.784 -6.207 -12.106
70 2HB LYS 11 1HB LYS 11 -9.126 -5.073 -12.105
71 1HG LYS 11 2HG LYS 11 -7.515 -3.245 -11.643
72 2HG LYS 11 1HG LYS 11 -6.204 -4.414 -11.812
73 1HD LYS 11 2HD LYS 11 -7.011 -4.908 -14.107
74 2HD LYS 11 1HD LYS 11 -8.210 -3.628 -13.923
75 1HE LYS 11 2HE LYS 11 -6.605 -2.368 -14.889
76 2HE LYS 11 1HE LYS 11 -5.989 -2.279 -13.239
77 1HZ LYS 11 1HZ LYS 11 -4.994 -3.854 -15.511
78 2HZ LYS 11 2HZ LYS 11 -4.740 -4.431 -13.941
79 3HZ LYS 11 3HZ LYS 11 -4.134 -2.919 -14.393
80 H VAL 12 H VAL 12 -7.478 -7.323 -8.678
81 HA VAL 12 HA VAL 12 -9.754 -9.052 -9.289
82 HB VAL 12 HB VAL 12 -7.040 -9.650 -8.113
83 1HG1 VAL 12 1HG1 VAL 12 -8.588 -10.960 -6.819
84 2HG1 VAL 12 2HG1 VAL 12 -7.813 -12.021 -7.995
85 3HG1 VAL 12 3HG1 VAL 12 -9.459 -11.450 -8.274
86 1HG2 VAL 12 1HG2 VAL 12 -7.016 -11.234 -10.051
87 2HG2 VAL 12 2HG2 VAL 12 -7.048 -9.521 -10.485
88 3HG2 VAL 12 3HG2 VAL 12 -8.526 -10.486 -10.578
89 H SER 13 H SER 13 -10.813 -10.140 -7.571
90 HA SER 13 HA SER 13 -10.967 -8.392 -5.231
91 1HB SER 13 2HB SER 13 -13.131 -9.388 -4.798
92 2HB SER 13 1HB SER 13 -13.031 -8.793 -6.453
93 HG SER 13 HG SER 13 -13.947 -10.843 -6.471
94 H GLY 14 H GLY 14 -11.011 -9.093 -3.157
95 1HA GLY 14 2HA GLY 14 -10.810 -11.692 -2.185
96 2HA GLY 14 1HA GLY 14 -9.170 -11.105 -2.451
97 H ILE 15 H ILE 15 -9.523 -11.580 0.089
98 HA ILE 15 HA ILE 15 -10.413 -9.048 1.267
99 HB ILE 15 HB ILE 15 -10.090 -11.741 2.594
100 1HG1 ILE 15 2HG1 ILE 15 -12.317 -12.002 2.387
101 2HG1 ILE 15 1HG1 ILE 15 -12.626 -10.370 2.960
102 1HG2 ILE 15 1HG2 ILE 15 -9.335 -10.027 4.135
103 2HG2 ILE 15 2HG2 ILE 15 -10.917 -10.620 4.644
104 3HG2 ILE 15 3HG2 ILE 15 -10.789 -9.069 3.814
105 1HD1 ILE 15 1HD1 ILE 15 -12.113 -11.250 0.136
106 2HD1 ILE 15 2HD1 ILE 15 -12.176 -9.562 0.645
107 3HD1 ILE 15 3HD1 ILE 15 -13.598 -10.586 0.817
108 H ILE 16 H ILE 16 -9.130 -7.882 2.592
109 HA ILE 16 HA ILE 16 -6.284 -8.602 2.496
110 HB ILE 16 HB ILE 16 -7.679 -6.151 1.961
111 1HG1 ILE 16 2HG1 ILE 16 -4.729 -6.807 1.995
112 2HG1 ILE 16 1HG1 ILE 16 -5.824 -7.058 0.641
113 1HG2 ILE 16 1HG2 ILE 16 -7.437 -5.558 4.272
114 2HG2 ILE 16 2HG2 ILE 16 -6.359 -4.577 3.283
115 3HG2 ILE 16 3HG2 ILE 16 -5.714 -5.925 4.222
116 1HD1 ILE 16 1HD1 ILE 16 -4.264 -4.959 0.761
117 2HD1 ILE 16 2HD1 ILE 16 -5.564 -4.323 1.769
118 3HD1 ILE 16 3HD1 ILE 16 -5.901 -4.839 0.116
119 H ALA 17 H ALA 17 -5.492 -9.355 4.328
120 HA ALA 17 HA ALA 17 -6.723 -8.466 6.852
121 1HB ALA 17 1HB ALA 17 -5.491 -11.172 6.401
122 2HB ALA 17 2HB ALA 17 -7.210 -10.833 6.162
123 3HB ALA 17 3HB ALA 17 -6.481 -10.637 7.760
124 H ILE 18 H ILE 18 -5.447 -7.462 8.199
125 HA ILE 18 HA ILE 18 -2.570 -7.452 7.727
126 HB ILE 18 HB ILE 18 -4.434 -5.676 9.280
127 1HG1 ILE 18 2HG1 ILE 18 -2.395 -4.957 7.179
128 2HG1 ILE 18 1HG1 ILE 18 -4.030 -5.466 6.768
129 1HG2 ILE 18 1HG2 ILE 18 -1.579 -6.106 9.759
130 2HG2 ILE 18 2HG2 ILE 18 -2.809 -5.361 10.780
131 3HG2 ILE 18 3HG2 ILE 18 -2.033 -4.420 9.508
132 1HD1 ILE 18 1HD1 ILE 18 -4.063 -3.130 6.735
133 2HD1 ILE 18 2HD1 ILE 18 -3.161 -3.009 8.244
134 3HD1 ILE 18 3HD1 ILE 18 -4.829 -3.581 8.257
135 H ASN 19 H ASN 19 -1.068 -8.131 9.195
136 HA ASN 19 HA ASN 19 -2.076 -9.320 11.693
137 1HB ASN 19 2HB ASN 19 -0.087 -10.484 9.741
138 2HB ASN 19 1HB ASN 19 -0.279 -11.079 11.388
139 1HD2 ASN 19 1HD2 ASN 19 -1.239 -12.979 11.209
140 2HD2 ASN 19 2HD2 ASN 19 -2.685 -13.298 10.318
141 H GLU 20 H GLU 20 -1.291 -8.153 13.315
142 HA GLU 20 HA GLU 20 1.344 -6.914 13.059
143 1HB GLU 20 2HB GLU 20 -0.793 -6.555 15.168
144 2HB GLU 20 1HB GLU 20 0.718 -5.658 15.090
145 1HG GLU 20 2HG GLU 20 0.038 -4.746 12.909
146 2HG GLU 20 1HG GLU 20 -1.498 -5.602 13.053
147 H ASP 21 H ASP 21 0.347 -9.833 13.940
148 HA ASP 21 HA ASP 21 1.685 -10.130 16.472
149 1HB ASP 21 2HB ASP 21 -0.289 -11.512 15.749
150 2HB ASP 21 1HB ASP 21 0.764 -12.292 14.573
151 H VAL 22 H VAL 22 2.576 -10.119 13.185
152 HA VAL 22 HA VAL 22 5.049 -11.594 13.720
153 HB VAL 22 HB VAL 22 5.170 -11.020 11.063
154 1HG1 VAL 22 1HG1 VAL 22 5.141 -13.238 12.577
155 2HG1 VAL 22 2HG1 VAL 22 5.114 -13.261 10.813
156 3HG1 VAL 22 3HG1 VAL 22 3.611 -13.434 11.719
157 1HG2 VAL 22 1HG2 VAL 22 3.035 -11.356 10.031
158 2HG2 VAL 22 2HG2 VAL 22 2.898 -10.006 11.158
159 3HG2 VAL 22 3HG2 VAL 22 2.260 -11.590 11.597
160 H SER 23 H SER 23 7.066 -10.688 13.346
161 HA SER 23 HA SER 23 7.080 -7.767 12.967
162 1HB SER 23 2HB SER 23 7.734 -8.014 15.190
163 2HB SER 23 1HB SER 23 8.617 -9.505 14.868
164 HG SER 23 HG SER 23 9.732 -7.270 15.146
165 HA PRO 24 HA PRO 24 7.678 -6.297 11.895
166 1HB PRO 24 2HB PRO 24 7.641 -5.338 9.388
167 2HB PRO 24 1HB PRO 24 9.079 -5.215 10.409
168 1HG PRO 24 2HG PRO 24 8.469 -7.163 8.224
169 2HG PRO 24 1HG PRO 24 9.986 -6.318 8.579
170 1HD PRO 24 2HD PRO 24 9.470 -8.909 9.306
171 2HD PRO 24 1HD PRO 24 10.604 -7.847 10.165
172 H ALA 25 H ALA 25 5.515 -5.868 11.704
173 HA ALA 25 HA ALA 25 3.711 -7.849 11.057
174 1HB ALA 25 1HB ALA 25 3.058 -4.925 10.816
175 2HB ALA 25 2HB ALA 25 3.292 -5.725 12.369
176 3HB ALA 25 3HB ALA 25 1.995 -6.248 11.295
177 H GLU 26 H GLU 26 2.268 -8.176 9.294
178 HA GLU 26 HA GLU 26 3.008 -6.848 6.786
179 1HB GLU 26 2HB GLU 26 2.682 -9.839 7.049
180 2HB GLU 26 1HB GLU 26 3.102 -8.951 5.591
181 1HG GLU 26 2HG GLU 26 5.192 -8.218 6.690
182 2HG GLU 26 1HG GLU 26 4.777 -9.225 8.076
183 H LEU 27 H LEU 27 1.471 -7.335 5.019
184 HA LEU 27 HA LEU 27 -1.278 -7.687 6.018
185 1HB LEU 27 2HB LEU 27 -0.919 -5.365 5.469
186 2HB LEU 27 1HB LEU 27 -0.216 -5.791 3.921
187 HG LEU 27 HG LEU 27 -3.069 -6.477 4.562
188 1HD1 LEU 27 1HD1 LEU 27 -3.738 -4.382 3.487
189 2HD1 LEU 27 2HD1 LEU 27 -2.048 -3.885 3.399
190 3HD1 LEU 27 3HD1 LEU 27 -2.828 -4.087 4.968
191 1HD2 LEU 27 1HD2 LEU 27 -2.668 -7.519 2.598
192 2HD2 LEU 27 2HD2 LEU 27 -1.306 -6.474 2.196
193 3HD2 LEU 27 3HD2 LEU 27 -2.957 -5.911 1.937
194 H THR 28 H THR 28 -2.260 -9.410 5.144
195 HA THR 28 HA THR 28 -1.201 -10.440 2.599
196 HB THR 28 HB THR 28 -2.634 -11.957 4.780
197 HG1 THR 28 HG1 THR 28 0.112 -11.866 4.082
198 1HG2 THR 28 1HG2 THR 28 -2.008 -13.956 3.656
199 2HG2 THR 28 2HG2 THR 28 -1.107 -13.054 2.437
200 3HG2 THR 28 3HG2 THR 28 -2.865 -12.930 2.505
201 H TRP 29 H TRP 29 -2.450 -10.418 0.889
202 HA TRP 29 HA TRP 29 -5.314 -9.933 1.178
203 1HB TRP 29 2HB TRP 29 -4.140 -8.332 -0.226
204 2HB TRP 29 1HB TRP 29 -3.433 -9.635 -1.177
205 HD1 TRP 29 HD1 TRP 29 -6.934 -8.251 -0.359
206 HE1 TRP 29 HE1 TRP 29 -8.428 -8.542 -2.440
207 HE3 TRP 29 HE3 TRP 29 -3.626 -10.709 -3.353
208 HZ2 TRP 29 HZ2 TRP 29 -8.215 -9.689 -5.019
209 HZ3 TRP 29 HZ3 TRP 29 -4.340 -11.376 -5.610
210 HH2 TRP 29 HH2 TRP 29 -6.584 -10.877 -6.424
211 H ARG 30 H ARG 30 -6.732 -11.521 0.727
212 HA ARG 30 HA ARG 30 -5.744 -13.846 -0.797
213 1HB ARG 30 2HB ARG 30 -5.983 -14.390 1.585
214 2HB ARG 30 1HB ARG 30 -7.664 -13.874 1.536
215 1HG ARG 30 2HG ARG 30 -8.339 -15.840 0.751
216 2HG ARG 30 1HG ARG 30 -7.092 -15.855 -0.495
217 1HD ARG 30 2HD ARG 30 -6.128 -17.509 0.642
218 2HD ARG 30 1HD ARG 30 -5.703 -16.311 1.864
219 HE ARG 30 HE ARG 30 -7.723 -18.351 2.056
220 1HH1 ARG 30 1HH1 ARG 30 -6.647 -15.257 3.262
221 2HH1 ARG 30 2HH1 ARG 30 -7.483 -15.415 4.771
222 1HH2 ARG 30 1HH2 ARG 30 -8.823 -18.559 4.038
223 2HH2 ARG 30 2HH2 ARG 30 -8.717 -17.289 5.212
224 H SER 31 H SER 31 -6.763 -14.083 -2.660
225 HA SER 31 HA SER 31 -8.854 -12.622 -3.629
226 1HB SER 31 2HB SER 31 -7.584 -13.976 -5.135
227 2HB SER 31 1HB SER 31 -8.044 -15.454 -4.291
228 HG SER 31 HG SER 31 -9.681 -15.537 -5.587
229 H THR 32 H THR 32 -11.076 -13.449 -4.273
230 HA THR 32 HA THR 32 -12.500 -14.149 -1.901
231 HB THR 32 HB THR 32 -14.132 -14.369 -4.249
232 HG1 THR 32 HG1 THR 32 -13.729 -12.312 -5.123
233 1HG2 THR 32 1HG2 THR 32 -15.288 -12.458 -3.365
234 2HG2 THR 32 2HG2 THR 32 -13.945 -12.110 -2.275
235 3HG2 THR 32 3HG2 THR 32 -14.904 -13.574 -2.054
236 H ASP 33 H ASP 33 -11.730 -15.685 -4.935
237 HA ASP 33 HA ASP 33 -12.991 -18.148 -4.145
238 1HB ASP 33 2HB ASP 33 -11.539 -17.354 -6.667
239 2HB ASP 33 1HB ASP 33 -12.241 -18.949 -6.402
240 H GLY 34 H GLY 34 -9.918 -16.697 -3.966
241 1HA GLY 34 2HA GLY 34 -8.084 -17.544 -2.784
242 2HA GLY 34 1HA GLY 34 -8.801 -19.147 -2.863
243 H ASP 35 H ASP 35 -8.341 -17.047 -5.638
244 HA ASP 35 HA ASP 35 -6.630 -19.089 -6.826
245 1HB ASP 35 2HB ASP 35 -8.602 -18.293 -8.092
246 2HB ASP 35 1HB ASP 35 -7.910 -16.673 -8.113
247 H LYS 36 H LYS 36 -6.448 -15.914 -5.513
248 HA LYS 36 HA LYS 36 -3.604 -15.834 -6.199
249 1HB LYS 36 2HB LYS 36 -5.651 -13.947 -7.094
250 2HB LYS 36 1HB LYS 36 -4.292 -13.174 -6.293
251 1HG LYS 36 2HG LYS 36 -3.146 -13.309 -8.176
252 2HG LYS 36 1HG LYS 36 -3.191 -15.069 -8.046
253 1HD LYS 36 2HD LYS 36 -4.316 -15.021 -9.978
254 2HD LYS 36 1HD LYS 36 -5.689 -14.465 -9.018
255 1HE LYS 36 2HE LYS 36 -5.688 -12.698 -10.396
256 2HE LYS 36 1HE LYS 36 -4.318 -12.143 -9.436
257 1HZ LYS 36 1HZ LYS 36 -3.023 -13.646 -11.142
258 2HZ LYS 36 2HZ LYS 36 -3.415 -12.042 -11.503
259 3HZ LYS 36 3HZ LYS 36 -4.360 -13.302 -12.120
260 H VAL 37 H VAL 37 -2.286 -14.910 -4.672
261 HA VAL 37 HA VAL 37 -3.527 -13.705 -2.309
262 HB VAL 37 HB VAL 37 -3.208 -16.107 -1.808
263 1HG1 VAL 37 1HG1 VAL 37 -1.229 -16.421 -3.284
264 2HG1 VAL 37 2HG1 VAL 37 -1.024 -17.087 -1.664
265 3HG1 VAL 37 3HG1 VAL 37 -0.258 -15.558 -2.092
266 1HG2 VAL 37 1HG2 VAL 37 -1.722 -13.985 -0.328
267 2HG2 VAL 37 2HG2 VAL 37 -1.606 -15.660 0.214
268 3HG2 VAL 37 3HG2 VAL 37 -3.180 -14.868 0.130
269 H HIS 38 H HIS 38 -2.353 -12.078 -1.406
270 HA HIS 38 HA HIS 38 0.394 -11.670 -2.380
271 1HB HIS 38 2HB HIS 38 -1.435 -10.213 -3.499
272 2HB HIS 38 1HB HIS 38 -1.462 -9.350 -1.965
273 HD1 HIS 38 HD1 HIS 38 1.281 -10.483 -4.362
274 HD2 HIS 38 HD2 HIS 38 0.160 -7.207 -2.065
275 HE1 HIS 38 HE1 HIS 38 3.040 -8.735 -4.779
276 HE2 HIS 38 HE2 HIS 38 2.388 -6.795 -3.311
277 H THR 39 H THR 39 1.813 -10.693 -0.973
278 HA THR 39 HA THR 39 0.824 -10.165 1.749
279 HB THR 39 HB THR 39 3.385 -11.619 1.060
280 HG1 THR 39 HG1 THR 39 2.312 -13.419 1.944
281 1HG2 THR 39 1HG2 THR 39 3.312 -12.195 3.513
282 2HG2 THR 39 2HG2 THR 39 2.129 -10.899 3.686
283 3HG2 THR 39 3HG2 THR 39 3.755 -10.535 3.110
284 H VAL 40 H VAL 40 1.621 -8.379 2.731
285 HA VAL 40 HA VAL 40 3.856 -6.976 1.428
286 HB VAL 40 HB VAL 40 1.322 -5.692 2.442
287 1HG1 VAL 40 1HG1 VAL 40 4.036 -4.637 2.001
288 2HG1 VAL 40 2HG1 VAL 40 2.715 -4.013 3.001
289 3HG1 VAL 40 3HG1 VAL 40 2.734 -3.692 1.263
290 1HG2 VAL 40 1HG2 VAL 40 1.138 -4.866 0.114
291 2HG2 VAL 40 2HG2 VAL 40 1.041 -6.624 0.229
292 3HG2 VAL 40 3HG2 VAL 40 2.532 -5.858 -0.317
293 H VAL 41 H VAL 41 5.259 -5.934 2.719
294 HA VAL 41 HA VAL 41 5.172 -6.593 5.544
295 HB VAL 41 HB VAL 41 7.364 -4.860 4.987
296 1HG1 VAL 41 1HG1 VAL 41 7.127 -7.791 5.588
297 2HG1 VAL 41 2HG1 VAL 41 7.473 -6.467 6.702
298 3HG1 VAL 41 3HG1 VAL 41 8.672 -6.941 5.496
299 1HG2 VAL 41 1HG2 VAL 41 6.907 -5.497 2.604
300 2HG2 VAL 41 2HG2 VAL 41 7.282 -7.166 3.052
301 3HG2 VAL 41 3HG2 VAL 41 8.519 -5.915 3.196
302 H LEU 42 H LEU 42 4.226 -5.280 6.950
303 HA LEU 42 HA LEU 42 3.340 -2.688 6.253
304 1HB LEU 42 2HB LEU 42 3.580 -3.952 8.983
305 2HB LEU 42 1HB LEU 42 2.662 -2.505 8.605
306 HG LEU 42 HG LEU 42 2.083 -5.335 7.758
307 1HD1 LEU 42 1HD1 LEU 42 1.270 -3.857 9.938
308 2HD1 LEU 42 2HD1 LEU 42 0.477 -5.297 9.297
309 3HD1 LEU 42 3HD1 LEU 42 -0.071 -3.695 8.803
310 1HD2 LEU 42 1HD2 LEU 42 0.060 -4.133 6.631
311 2HD2 LEU 42 2HD2 LEU 42 1.596 -4.265 5.771
312 3HD2 LEU 42 3HD2 LEU 42 1.158 -2.755 6.570
313 H SER 43 H SER 43 6.324 -3.881 7.447
314 HA SER 43 HA SER 43 7.213 -1.558 8.805
315 1HB SER 43 2HB SER 43 8.433 -3.495 9.310
316 2HB SER 43 1HB SER 43 8.607 -3.939 7.612
317 HG SER 43 HG SER 43 10.394 -2.764 8.995
318 H THR 44 H THR 44 7.000 -2.427 5.469
319 HA THR 44 HA THR 44 8.812 -0.330 4.619
320 HB THR 44 HB THR 44 8.865 -1.328 2.589
321 HG1 THR 44 HG1 THR 44 7.008 -0.943 1.656
322 1HG2 THR 44 1HG2 THR 44 8.706 -3.246 4.438
323 2HG2 THR 44 2HG2 THR 44 8.905 -3.568 2.715
324 3HG2 THR 44 3HG2 THR 44 7.306 -3.667 3.450
325 H ILE 45 H ILE 45 5.383 -0.972 4.709
326 HA ILE 45 HA ILE 45 4.486 1.171 3.158
327 HB ILE 45 HB ILE 45 3.011 0.177 5.591
328 1HG1 ILE 45 2HG1 ILE 45 3.653 -1.836 4.491
329 2HG1 ILE 45 1HG1 ILE 45 2.000 -1.515 3.984
330 1HG2 ILE 45 1HG2 ILE 45 1.497 1.613 4.810
331 2HG2 ILE 45 2HG2 ILE 45 1.261 0.496 3.464
332 3HG2 ILE 45 3HG2 ILE 45 2.385 1.848 3.305
333 1HD1 ILE 45 1HD1 ILE 45 3.598 -0.254 2.085
334 2HD1 ILE 45 2HD1 ILE 45 2.693 -1.755 1.897
335 3HD1 ILE 45 3HD1 ILE 45 4.381 -1.800 2.403
336 H ASP 46 H ASP 46 5.760 2.967 3.611
337 HA ASP 46 HA ASP 46 5.836 4.084 6.270
338 1HB ASP 46 2HB ASP 46 7.632 4.158 4.322
339 2HB ASP 46 1HB ASP 46 6.755 5.623 3.889
340 H LYS 47 H LYS 47 3.956 4.528 3.378
341 HA LYS 47 HA LYS 47 2.600 6.801 4.677
342 1HB LYS 47 2HB LYS 47 2.859 6.416 1.699
343 2HB LYS 47 1HB LYS 47 2.228 7.823 2.543
344 1HG LYS 47 2HG LYS 47 4.406 8.372 3.383
345 2HG LYS 47 1HG LYS 47 5.079 6.876 2.730
346 1HD LYS 47 2HD LYS 47 5.194 7.696 0.625
347 2HD LYS 47 1HD LYS 47 3.693 8.607 0.789
348 1HE LYS 47 2HE LYS 47 5.803 9.972 0.522
349 2HE LYS 47 1HE LYS 47 4.777 10.387 1.893
350 1HZ LYS 47 1HZ LYS 47 7.054 8.524 2.177
351 2HZ LYS 47 2HZ LYS 47 6.246 9.391 3.384
352 3HZ LYS 47 3HZ LYS 47 7.263 10.198 2.301
353 H LEU 48 H LEU 48 0.363 7.087 4.143
354 HA LEU 48 HA LEU 48 -0.993 4.670 3.179
355 1HB LEU 48 2HB LEU 48 -1.561 6.235 5.685
356 2HB LEU 48 1HB LEU 48 -2.774 5.215 4.934
357 HG LEU 48 HG LEU 48 -0.133 4.335 6.083
358 1HD1 LEU 48 1HD1 LEU 48 -2.467 4.828 7.375
359 2HD1 LEU 48 2HD1 LEU 48 -1.257 3.660 7.902
360 3HD1 LEU 48 3HD1 LEU 48 -2.651 3.123 6.967
361 1HD2 LEU 48 1HD2 LEU 48 -1.997 3.019 4.210
362 2HD2 LEU 48 2HD2 LEU 48 -1.408 2.040 5.554
363 3HD2 LEU 48 3HD2 LEU 48 -0.264 2.790 4.440
364 H GLN 49 H GLN 49 -2.481 5.061 1.689
365 HA GLN 49 HA GLN 49 -3.601 7.774 1.483
366 1HB GLN 49 2HB GLN 49 -1.758 7.187 -0.220
367 2HB GLN 49 1HB GLN 49 -2.952 6.117 -0.943
368 1HG GLN 49 2HG GLN 49 -4.469 8.085 -1.164
369 2HG GLN 49 1HG GLN 49 -3.133 9.101 -0.627
370 1HE2 GLN 49 1HE2 GLN 49 -2.156 10.076 -2.235
371 2HE2 GLN 49 2HE2 GLN 49 -1.904 9.439 -3.821
372 H ALA 50 H ALA 50 -5.747 7.858 1.303
373 HA ALA 50 HA ALA 50 -7.209 5.543 0.286
374 1HB ALA 50 1HB ALA 50 -8.709 5.465 2.181
375 2HB ALA 50 2HB ALA 50 -7.847 6.797 2.956
376 3HB ALA 50 3HB ALA 50 -7.047 5.240 2.728
377 H THR 51 H THR 51 -9.032 6.064 -0.810
378 HA THR 51 HA THR 51 -9.450 8.821 -1.464
379 HB THR 51 HB THR 51 -11.115 8.026 -3.019
380 HG1 THR 51 HG1 THR 51 -12.294 6.445 -2.326
381 1HG2 THR 51 1HG2 THR 51 -8.837 7.615 -3.737
382 2HG2 THR 51 2HG2 THR 51 -9.913 6.333 -4.292
383 3HG2 THR 51 3HG2 THR 51 -8.846 6.054 -2.914
384 HA PRO 52 HA PRO 52 -12.357 9.603 1.838
385 1HB PRO 52 2HB PRO 52 -13.228 12.029 0.955
386 2HB PRO 52 1HB PRO 52 -11.683 11.795 1.779
387 1HG PRO 52 2HG PRO 52 -12.249 12.030 -1.150
388 2HG PRO 52 1HG PRO 52 -10.945 12.767 -0.199
389 1HD PRO 52 2HD PRO 52 -10.555 10.568 -1.714
390 2HD PRO 52 1HD PRO 52 -9.693 10.826 -0.183
391 H ALA 53 H ALA 53 -14.644 9.902 2.130
392 HA ALA 53 HA ALA 53 -16.240 8.372 0.438
393 1HB ALA 53 1HB ALA 53 -17.213 8.501 2.478
394 2HB ALA 53 2HB ALA 53 -18.113 9.804 1.700
395 3HB ALA 53 3HB ALA 53 -16.728 10.179 2.726
396 H SER 54 H SER 54 -15.867 11.893 0.633
397 HA SER 54 HA SER 54 -17.851 12.568 -1.231
398 1HB SER 54 2HB SER 54 -15.288 14.063 -0.640
399 2HB SER 54 1HB SER 54 -16.735 14.737 -1.388
400 HG SER 54 HG SER 54 -16.386 15.015 0.994
401 H SER 55 H SER 55 -14.634 11.379 -1.611
402 HA SER 55 HA SER 55 -14.363 12.090 -4.368
403 1HB SER 55 2HB SER 55 -12.772 10.489 -2.412
404 2HB SER 55 1HB SER 55 -12.456 10.282 -4.135
405 HG SER 55 HG SER 55 -11.491 12.143 -4.149
406 H GLU 56 H GLU 56 -15.272 11.104 -6.022
407 HA GLU 56 HA GLU 56 -16.927 8.872 -5.825
408 1HB GLU 56 2HB GLU 56 -15.470 9.970 -8.235
409 2HB GLU 56 1HB GLU 56 -16.754 8.770 -8.311
410 1HG GLU 56 2HG GLU 56 -18.295 10.390 -7.283
411 2HG GLU 56 1HG GLU 56 -17.003 11.591 -7.287
412 H LYS 57 H LYS 57 -13.523 9.092 -5.933
413 HA LYS 57 HA LYS 57 -13.012 6.491 -7.028
414 1HB LYS 57 2HB LYS 57 -11.289 8.452 -5.513
415 2HB LYS 57 1HB LYS 57 -10.690 6.905 -6.096
416 1HG LYS 57 2HG LYS 57 -10.043 8.431 -7.731
417 2HG LYS 57 1HG LYS 57 -11.486 7.666 -8.401
418 1HD LYS 57 2HD LYS 57 -12.683 9.574 -8.329
419 2HD LYS 57 1HD LYS 57 -11.994 10.064 -6.779
420 1HE LYS 57 2HE LYS 57 -10.141 10.112 -9.068
421 2HE LYS 57 1HE LYS 57 -11.460 11.281 -9.135
422 1HZ LYS 57 1HZ LYS 57 -9.112 11.554 -7.754
423 2HZ LYS 57 2HZ LYS 57 -10.248 11.200 -6.553
424 3HZ LYS 57 3HZ LYS 57 -10.492 12.519 -7.584
425 H MET 58 H MET 58 -12.582 4.594 -5.981
426 HA MET 58 HA MET 58 -12.849 4.569 -3.048
427 1HB MET 58 2HB MET 58 -14.146 2.641 -4.982
428 2HB MET 58 1HB MET 58 -14.177 2.500 -3.230
429 1HG MET 58 2HG MET 58 -15.265 4.817 -3.256
430 2HG MET 58 1HG MET 58 -15.533 4.520 -4.974
431 1HE MET 58 1HE MET 58 -15.755 1.415 -2.362
432 2HE MET 58 2HE MET 58 -17.212 1.975 -1.543
433 3HE MET 58 3HE MET 58 -15.749 2.964 -1.520
434 H MET 59 H MET 59 -10.494 4.453 -3.116
435 HA MET 59 HA MET 59 -9.601 1.693 -3.289
436 1HB MET 59 2HB MET 59 -8.446 3.911 -4.965
437 2HB MET 59 1HB MET 59 -7.527 2.467 -4.569
438 1HG MET 59 2HG MET 59 -8.391 1.556 -6.392
439 2HG MET 59 1HG MET 59 -9.919 1.475 -5.521
440 1HE MET 59 1HE MET 59 -8.318 4.434 -8.441
441 2HE MET 59 2HE MET 59 -7.654 4.036 -6.858
442 3HE MET 59 3HE MET 59 -8.790 5.373 -7.026
443 H LEU 60 H LEU 60 -7.295 1.491 -2.533
444 HA LEU 60 HA LEU 60 -6.512 3.578 -0.628
445 1HB LEU 60 2HB LEU 60 -7.860 1.448 0.281
446 2HB LEU 60 1HB LEU 60 -6.249 0.755 0.257
447 HG LEU 60 HG LEU 60 -5.810 3.139 1.533
448 1HD1 LEU 60 1HD1 LEU 60 -7.541 3.381 3.220
449 2HD1 LEU 60 2HD1 LEU 60 -8.475 2.089 2.468
450 3HD1 LEU 60 3HD1 LEU 60 -8.215 3.604 1.607
451 1HD2 LEU 60 1HD2 LEU 60 -6.227 1.473 3.621
452 2HD2 LEU 60 2HD2 LEU 60 -4.791 1.438 2.600
453 3HD2 LEU 60 3HD2 LEU 60 -6.115 0.314 2.296
454 H ARG 61 H ARG 61 -4.419 4.057 -0.897
455 HA ARG 61 HA ARG 61 -2.633 1.954 -1.938
456 1HB ARG 61 2HB ARG 61 -3.321 3.707 -3.639
457 2HB ARG 61 1HB ARG 61 -2.420 4.870 -2.676
458 1HG ARG 61 2HG ARG 61 -0.421 3.326 -2.960
459 2HG ARG 61 1HG ARG 61 -1.376 2.508 -4.199
460 1HD ARG 61 2HD ARG 61 -1.661 4.733 -5.316
461 2HD ARG 61 1HD ARG 61 -0.501 5.390 -4.162
462 HE ARG 61 HE ARG 61 0.807 3.277 -5.245
463 1HH1 ARG 61 1HH1 ARG 61 -0.820 6.048 -6.603
464 2HH1 ARG 61 2HH1 ARG 61 0.199 6.119 -8.002
465 1HH2 ARG 61 1HH2 ARG 61 2.151 3.369 -7.082
466 2HH2 ARG 61 2HH2 ARG 61 1.885 4.597 -8.273
467 H LEU 62 H LEU 62 -0.669 1.752 -0.994
468 HA LEU 62 HA LEU 62 0.047 3.742 1.057
469 1HB LEU 62 2HB LEU 62 1.336 1.269 1.623
470 2HB LEU 62 1HB LEU 62 0.185 2.153 2.603
471 HG LEU 62 HG LEU 62 -0.909 0.482 0.436
472 1HD1 LEU 62 1HD1 LEU 62 -0.628 -1.577 1.469
473 2HD1 LEU 62 2HD1 LEU 62 -0.134 -0.843 2.994
474 3HD1 LEU 62 3HD1 LEU 62 0.959 -0.822 1.611
475 1HD2 LEU 62 1HD2 LEU 62 -2.572 -0.009 2.252
476 2HD2 LEU 62 2HD2 LEU 62 -2.467 1.681 1.758
477 3HD2 LEU 62 3HD2 LEU 62 -1.697 1.150 3.252
478 H ILE 63 H ILE 63 2.197 4.355 1.220
479 HA ILE 63 HA ILE 63 3.835 3.651 -1.114
480 HB ILE 63 HB ILE 63 4.377 5.897 0.817
481 1HG1 ILE 63 2HG1 ILE 63 2.480 6.848 -0.002
482 2HG1 ILE 63 1HG1 ILE 63 3.483 7.173 -1.406
483 1HG2 ILE 63 1HG2 ILE 63 5.512 4.988 -1.762
484 2HG2 ILE 63 2HG2 ILE 63 6.316 5.630 -0.330
485 3HG2 ILE 63 3HG2 ILE 63 5.472 6.719 -1.430
486 1HD1 ILE 63 1HD1 ILE 63 1.295 5.215 -1.043
487 2HD1 ILE 63 2HD1 ILE 63 2.607 4.808 -2.150
488 3HD1 ILE 63 3HD1 ILE 63 1.658 6.272 -2.405
489 H GLY 64 H GLY 64 5.747 2.627 -0.931
490 1HA GLY 64 2HA GLY 64 6.438 1.507 1.645
491 2HA GLY 64 1HA GLY 64 7.206 1.143 0.106
492 H LYS 65 H LYS 65 8.485 1.675 2.653
493 HA LYS 65 HA LYS 65 9.503 4.273 2.838
494 1HB LYS 65 2HB LYS 65 10.558 1.603 3.742
495 2HB LYS 65 1HB LYS 65 11.451 3.092 4.033
496 1HG LYS 65 2HG LYS 65 9.463 3.990 5.214
497 2HG LYS 65 1HG LYS 65 8.693 2.414 5.025
498 1HD LYS 65 2HD LYS 65 10.487 1.371 6.303
499 2HD LYS 65 1HD LYS 65 11.296 2.931 6.460
500 1HE LYS 65 2HE LYS 65 9.922 3.613 8.103
501 2HE LYS 65 1HE LYS 65 8.496 2.925 7.326
502 1HZ LYS 65 1HZ LYS 65 8.759 0.946 8.388
503 2HZ LYS 65 2HZ LYS 65 9.442 1.957 9.559
504 3HZ LYS 65 3HZ LYS 65 10.441 1.084 8.509
505 H VAL 66 H VAL 66 11.791 4.922 2.437
506 HA VAL 66 HA VAL 66 12.739 3.806 -0.121
507 HB VAL 66 HB VAL 66 11.793 6.234 0.010
508 1HG1 VAL 66 1HG1 VAL 66 14.597 6.998 0.639
509 2HG1 VAL 66 2HG1 VAL 66 13.475 6.677 1.961
510 3HG1 VAL 66 3HG1 VAL 66 13.112 7.937 0.783
511 1HG2 VAL 66 1HG2 VAL 66 14.265 6.558 -1.408
512 2HG2 VAL 66 2HG2 VAL 66 12.631 6.346 -2.038
513 3HG2 VAL 66 3HG2 VAL 66 13.618 4.935 -1.659
514 H ASP 67 H ASP 67 15.130 5.221 -0.243
515 HA ASP 67 HA ASP 67 16.695 4.807 2.121
516 1HB ASP 67 2HB ASP 67 16.904 2.899 -0.207
517 2HB ASP 67 1HB ASP 67 18.257 3.179 0.885
518 H GLU 68 H GLU 68 16.743 7.117 1.401
519 HA GLU 68 HA GLU 68 17.938 8.008 -0.932
520 1HB GLU 68 2HB GLU 68 17.996 9.246 1.821
521 2HB GLU 68 1HB GLU 68 18.474 10.080 0.347
522 1HG GLU 68 2HG GLU 68 16.201 9.765 -0.539
523 2HG GLU 68 1HG GLU 68 15.736 8.998 0.979
524 H SER 69 H SER 69 19.387 6.455 1.760
525 HA SER 69 HA SER 69 21.971 7.443 1.734
526 1HB SER 69 2HB SER 69 21.144 4.561 2.154
527 2HB SER 69 1HB SER 69 22.656 5.296 2.687
528 HG SER 69 HG SER 69 20.334 5.232 3.960
529 H LYS 70 H LYS 70 20.347 5.578 -0.651
530 HA LYS 70 HA LYS 70 22.694 4.512 -1.906
531 1HB LYS 70 2HB LYS 70 19.864 4.812 -2.922
532 2HB LYS 70 1HB LYS 70 21.139 3.931 -3.754
533 1HG LYS 70 2HG LYS 70 21.169 2.814 -1.248
534 2HG LYS 70 1HG LYS 70 19.454 3.125 -1.522
535 1HD LYS 70 2HD LYS 70 21.251 1.686 -3.469
536 2HD LYS 70 1HD LYS 70 20.223 0.876 -2.286
537 1HE LYS 70 2HE LYS 70 18.873 2.882 -3.963
538 2HE LYS 70 1HE LYS 70 19.473 1.465 -4.824
539 1HZ LYS 70 1HZ LYS 70 17.842 1.225 -2.368
540 2HZ LYS 70 2HZ LYS 70 18.155 0.046 -3.540
541 3HZ LYS 70 3HZ LYS 70 17.136 1.345 -3.901
542 H LYS 71 H LYS 71 20.452 7.170 -2.655
543 HA LYS 71 HA LYS 71 20.670 9.037 -3.925
544 1HB LYS 71 2HB LYS 71 23.407 8.508 -2.942
545 2HB LYS 71 1HB LYS 71 23.288 9.591 -4.322
546 1HG LYS 71 2HG LYS 71 22.958 11.205 -2.830
547 2HG LYS 71 1HG LYS 71 21.335 10.535 -2.642
548 1HD LYS 71 2HD LYS 71 22.563 8.932 -0.949
549 2HD LYS 71 1HD LYS 71 23.727 10.257 -0.887
550 1HE LYS 71 2HE LYS 71 21.945 11.807 -0.278
551 2HE LYS 71 1HE LYS 71 20.763 10.502 -0.378
552 1HZ LYS 71 1HZ LYS 71 21.442 9.612 1.576
553 2HZ LYS 71 2HZ LYS 71 21.880 11.216 1.891
554 3HZ LYS 71 3HZ LYS 71 23.052 10.102 1.391
555 H ARG 72 H ARG 72 19.811 8.245 -5.823
556 HA ARG 72 HA ARG 72 21.604 6.981 -7.752
557 1HB ARG 72 2HB ARG 72 18.633 7.294 -7.536
558 2HB ARG 72 1HB ARG 72 19.365 6.917 -9.090
559 1HG ARG 72 2HG ARG 72 20.555 5.105 -7.411
560 2HG ARG 72 1HG ARG 72 18.915 5.218 -6.770
561 1HD ARG 72 2HD ARG 72 19.462 4.844 -9.697
562 2HD ARG 72 1HD ARG 72 19.355 3.478 -8.587
563 HE ARG 72 HE ARG 72 17.084 5.046 -8.215
564 1HH1 ARG 72 1HH1 ARG 72 18.523 3.089 -10.721
565 2HH1 ARG 72 2HH1 ARG 72 17.003 2.670 -11.439
566 1HH2 ARG 72 1HH2 ARG 72 15.086 4.497 -9.159
567 2HH2 ARG 72 2HH2 ARG 72 15.052 3.470 -10.554
568 H LYS 73 H LYS 73 22.459 8.025 -9.438
569 HA LYS 73 HA LYS 73 21.975 10.851 -9.729
570 1HB LYS 73 2HB LYS 73 23.800 8.961 -11.217
571 2HB LYS 73 1HB LYS 73 23.732 10.694 -11.501
572 1HG LYS 73 2HG LYS 73 24.274 9.628 -8.761
573 2HG LYS 73 1HG LYS 73 25.565 9.747 -9.960
574 1HD LYS 73 2HD LYS 73 24.919 12.165 -10.250
575 2HD LYS 73 1HD LYS 73 23.866 11.972 -8.846
576 1HE LYS 73 2HE LYS 73 26.002 12.925 -8.186
577 2HE LYS 73 1HE LYS 73 25.801 11.315 -7.495
578 1HZ LYS 73 1HZ LYS 73 27.419 10.443 -8.818
579 2HZ LYS 73 2HZ LYS 73 28.019 12.016 -8.657
580 3HZ LYS 73 3HZ LYS 73 27.191 11.568 -10.062
581 H ASP 74 H ASP 74 21.142 11.909 -11.505
582 HA ASP 74 HA ASP 74 19.313 10.317 -13.124
583 1HB ASP 74 2HB ASP 74 18.894 12.641 -11.853
584 2HB ASP 74 1HB ASP 74 19.420 13.272 -13.411
585 H ASN 75 H ASN 75 18.990 11.448 -15.426
586 HA ASN 75 HA ASN 75 21.275 10.764 -16.930
587 1HB ASN 75 2HB ASN 75 18.835 12.338 -17.780
588 2HB ASN 75 1HB ASN 75 20.007 11.603 -18.867
589 1HD2 ASN 75 1HD2 ASN 75 20.433 9.174 -17.800
590 2HD2 ASN 75 2HD2 ASN 75 18.976 8.247 -17.792
591 H GLU 76 H GLU 76 20.378 13.676 -15.372
592 HA GLU 76 HA GLU 76 22.016 15.360 -17.077
593 1HB GLU 76 2HB GLU 76 20.384 15.909 -14.601
594 2HB GLU 76 1HB GLU 76 21.386 17.130 -15.372
595 1HG GLU 76 2HG GLU 76 19.154 15.646 -16.738
596 2HG GLU 76 1HG GLU 76 18.999 17.242 -16.007
597 H GLY 77 H GLY 77 22.662 13.209 -14.656
598 1HA GLY 77 2HA GLY 77 24.767 12.798 -13.729
599 2HA GLY 77 1HA GLY 77 25.258 14.424 -14.175
600 H ASN 78 H ASN 78 22.266 14.490 -12.638
601 HA ASN 78 HA ASN 78 23.565 15.298 -10.128
602 1HB ASN 78 2HB ASN 78 21.569 16.628 -9.686
603 2HB ASN 78 1HB ASN 78 22.240 17.039 -11.261
604 1HD2 ASN 78 1HD2 ASN 78 20.750 17.352 -12.729
605 2HD2 ASN 78 2HD2 ASN 78 19.241 16.521 -12.853
606 H GLU 79 H GLU 79 22.818 14.564 -8.149
607 HA GLU 79 HA GLU 79 21.740 11.926 -8.139
608 1HB GLU 79 2HB GLU 79 22.255 13.840 -5.855
609 2HB GLU 79 1HB GLU 79 21.855 12.137 -5.672
610 1HG GLU 79 2HG GLU 79 23.905 11.547 -6.895
611 2HG GLU 79 1HG GLU 79 24.312 13.259 -7.000
612 H VAL 80 H VAL 80 19.755 11.189 -7.446
613 HA VAL 80 HA VAL 80 17.707 13.180 -6.785
614 HB VAL 80 HB VAL 80 16.146 12.435 -8.369
615 1HG1 VAL 80 1HG1 VAL 80 17.848 13.858 -9.359
616 2HG1 VAL 80 2HG1 VAL 80 17.260 12.685 -10.538
617 3HG1 VAL 80 3HG1 VAL 80 18.824 12.445 -9.756
618 1HG2 VAL 80 1HG2 VAL 80 16.347 10.058 -8.177
619 2HG2 VAL 80 2HG2 VAL 80 17.976 10.087 -8.858
620 3HG2 VAL 80 3HG2 VAL 80 16.591 10.474 -9.877
621 H VAL 81 H VAL 81 15.778 12.251 -5.826
622 HA VAL 81 HA VAL 81 16.429 10.015 -4.100
623 HB VAL 81 HB VAL 81 13.847 11.581 -4.237
624 1HG1 VAL 81 1HG1 VAL 81 13.334 9.694 -3.023
625 2HG1 VAL 81 2HG1 VAL 81 13.879 10.785 -1.749
626 3HG1 VAL 81 3HG1 VAL 81 14.965 9.541 -2.368
627 1HG2 VAL 81 1HG2 VAL 81 15.730 12.109 -2.040
628 2HG2 VAL 81 2HG2 VAL 81 14.710 13.220 -2.953
629 3HG2 VAL 81 3HG2 VAL 81 16.247 12.679 -3.627
630 HA PRO 82 HA PRO 82 14.866 7.178 -7.244
631 1HB PRO 82 2HB PRO 82 14.784 5.473 -4.785
632 2HB PRO 82 1HB PRO 82 15.387 5.085 -6.401
633 1HG PRO 82 2HG PRO 82 17.077 5.668 -4.430
634 2HG PRO 82 1HG PRO 82 17.372 6.235 -6.083
635 1HD PRO 82 2HD PRO 82 16.448 7.751 -3.698
636 2HD PRO 82 1HD PRO 82 17.419 8.296 -5.077
637 H LYS 83 H LYS 83 12.940 5.727 -7.412
638 HA LYS 83 HA LYS 83 10.631 7.047 -6.221
639 1HB LYS 83 2HB LYS 83 11.008 5.121 -8.497
640 2HB LYS 83 1HB LYS 83 9.411 5.428 -7.830
641 1HG LYS 83 2HG LYS 83 11.243 7.543 -8.939
642 2HG LYS 83 1HG LYS 83 9.911 6.790 -9.819
643 1HD LYS 83 2HD LYS 83 8.762 8.573 -9.036
644 2HD LYS 83 1HD LYS 83 8.616 7.569 -7.592
645 1HE LYS 83 2HE LYS 83 11.059 8.829 -7.279
646 2HE LYS 83 1HE LYS 83 10.032 10.076 -7.986
647 1HZ LYS 83 1HZ LYS 83 8.751 10.185 -6.154
648 2HZ LYS 83 2HZ LYS 83 10.126 9.571 -5.386
649 3HZ LYS 83 3HZ LYS 83 8.864 8.531 -5.818
650 HA PRO 84 HA PRO 84 10.857 3.853 -2.958
651 1HB PRO 84 2HB PRO 84 8.501 4.951 -1.873
652 2HB PRO 84 1HB PRO 84 10.154 5.307 -1.365
653 1HG PRO 84 2HG PRO 84 8.399 6.793 -3.275
654 2HG PRO 84 1HG PRO 84 9.521 7.433 -2.060
655 1HD PRO 84 2HD PRO 84 10.185 7.452 -4.602
656 2HD PRO 84 1HD PRO 84 11.387 6.945 -3.394
657 H GLN 85 H GLN 85 9.367 2.180 -2.295
658 HA GLN 85 HA GLN 85 7.922 1.051 -4.445
659 1HB GLN 85 2HB GLN 85 8.739 0.268 -1.808
660 2HB GLN 85 1HB GLN 85 7.043 -0.141 -2.028
661 1HG GLN 85 2HG GLN 85 9.360 -1.010 -3.736
662 2HG GLN 85 1HG GLN 85 8.386 -2.012 -2.663
663 1HE2 GLN 85 1HE2 GLN 85 8.952 -1.721 -5.714
664 2HE2 GLN 85 2HE2 GLN 85 7.382 -1.924 -6.407
665 H ARG 86 H ARG 86 5.619 0.465 -4.422
666 HA ARG 86 HA ARG 86 3.851 2.049 -2.772
667 1HB ARG 86 2HB ARG 86 4.412 2.713 -5.612
668 2HB ARG 86 1HB ARG 86 2.734 2.786 -5.094
669 1HG ARG 86 2HG ARG 86 3.059 4.734 -4.092
670 2HG ARG 86 1HG ARG 86 4.429 4.098 -3.178
671 1HD ARG 86 2HD ARG 86 5.205 5.941 -4.490
672 2HD ARG 86 1HD ARG 86 5.852 4.459 -5.192
673 HE ARG 86 HE ARG 86 3.387 5.346 -6.387
674 1HH1 ARG 86 1HH1 ARG 86 6.866 5.608 -6.453
675 2HH1 ARG 86 2HH1 ARG 86 6.920 6.115 -8.108
676 1HH2 ARG 86 1HH2 ARG 86 3.456 6.014 -8.562
677 2HH2 ARG 86 2HH2 ARG 86 4.985 6.346 -9.305
678 H HIS 87 H HIS 87 1.965 1.033 -2.448
679 HA HIS 87 HA HIS 87 1.289 -1.220 -4.228
680 1HB HIS 87 2HB HIS 87 0.788 -0.974 -1.251
681 2HB HIS 87 1HB HIS 87 0.281 -2.323 -2.264
682 HD1 HIS 87 HD1 HIS 87 2.291 -3.752 -3.340
683 HD2 HIS 87 HD2 HIS 87 3.318 -1.177 -0.245
684 HE1 HIS 87 HE1 HIS 87 4.550 -4.520 -2.549
685 HE2 HIS 87 HE2 HIS 87 5.113 -3.000 -0.619
686 H MET 88 H MET 88 -0.720 -1.258 -5.085
687 HA MET 88 HA MET 88 -2.589 0.838 -4.186
688 1HB MET 88 2HB MET 88 -1.722 1.152 -6.476
689 2HB MET 88 1HB MET 88 -2.367 -0.421 -6.926
690 1HG MET 88 2HG MET 88 -4.636 0.418 -6.343
691 2HG MET 88 1HG MET 88 -3.926 2.013 -6.095
692 1HE MET 88 1HE MET 88 -5.776 2.622 -9.438
693 2HE MET 88 2HE MET 88 -5.595 3.062 -7.741
694 3HE MET 88 3HE MET 88 -6.365 1.537 -8.178
695 H PHE 89 H PHE 89 -4.643 0.334 -3.686
696 HA PHE 89 HA PHE 89 -5.627 -2.370 -4.232
697 1HB PHE 89 2HB PHE 89 -5.622 -1.064 -1.502
698 2HB PHE 89 1HB PHE 89 -6.474 -2.551 -1.902
699 HD1 PHE 89 HD1 PHE 89 -3.281 -1.044 -1.106
700 HD2 PHE 89 HD2 PHE 89 -5.207 -4.593 -2.449
701 HE1 PHE 89 HE1 PHE 89 -1.255 -2.338 -0.577
702 HE2 PHE 89 HE2 PHE 89 -3.185 -5.893 -1.923
703 HZ PHE 89 HZ PHE 89 -1.206 -4.766 -0.985
704 H SER 90 H SER 90 -7.917 -2.554 -4.238
705 HA SER 90 HA SER 90 -9.337 0.029 -4.272
706 1HB SER 90 2HB SER 90 -10.428 -2.114 -5.984
707 2HB SER 90 1HB SER 90 -10.248 -0.389 -6.308
708 HG SER 90 HG SER 90 -7.931 -0.888 -6.518
709 H PHE 91 H PHE 91 -11.228 0.142 -3.180
710 HA PHE 91 HA PHE 91 -12.347 -2.370 -2.124
711 1HB PHE 91 2HB PHE 91 -12.166 0.226 -0.588
712 2HB PHE 91 1HB PHE 91 -12.767 -1.316 0.012
713 HD1 PHE 91 HD1 PHE 91 -9.686 0.103 -1.545
714 HD2 PHE 91 HD2 PHE 91 -11.358 -2.569 1.314
715 HE1 PHE 91 HE1 PHE 91 -7.426 -0.461 -0.755
716 HE2 PHE 91 HE2 PHE 91 -9.099 -3.137 2.110
717 HZ PHE 91 HZ PHE 91 -7.130 -2.081 1.074
718 H ASN 92 H ASN 92 -14.616 -2.210 -1.467
719 HA ASN 92 HA ASN 92 -16.068 -0.274 -3.141
720 1HB ASN 92 2HB ASN 92 -16.946 -3.004 -2.190
721 2HB ASN 92 1HB ASN 92 -17.908 -1.903 -3.174
722 1HD2 ASN 92 1HD2 ASN 92 -17.273 -4.502 -3.946
723 2HD2 ASN 92 2HD2 ASN 92 -16.242 -4.431 -5.331
724 H ASN 93 H ASN 93 -15.140 -0.434 -0.114
725 HA ASN 93 HA ASN 93 -17.591 0.810 0.882
726 1HB ASN 93 2HB ASN 93 -17.485 -1.633 1.590
727 2HB ASN 93 1HB ASN 93 -16.075 -1.198 2.552
728 1HD2 ASN 93 1HD2 ASN 93 -18.200 -2.266 3.800
729 2HD2 ASN 93 2HD2 ASN 93 -19.020 -1.071 4.741
730 H ARG 94 H ARG 94 -16.901 2.817 1.254
731 HA ARG 94 HA ARG 94 -14.350 3.715 1.693
732 1HB ARG 94 2HB ARG 94 -16.709 4.942 1.437
733 2HB ARG 94 1HB ARG 94 -16.513 5.109 3.177
734 1HG ARG 94 2HG ARG 94 -14.465 5.991 1.155
735 2HG ARG 94 1HG ARG 94 -15.690 7.047 1.859
736 1HD ARG 94 2HD ARG 94 -13.387 5.681 3.216
737 2HD ARG 94 1HD ARG 94 -13.752 7.403 3.142
738 HE ARG 94 HE ARG 94 -14.831 5.474 4.986
739 1HH1 ARG 94 1HH1 ARG 94 -15.314 8.580 3.470
740 2HH1 ARG 94 2HH1 ARG 94 -16.351 9.172 4.725
741 1HH2 ARG 94 1HH2 ARG 94 -16.193 6.251 6.638
742 2HH2 ARG 94 2HH2 ARG 94 -16.848 7.850 6.524
743 H THR 95 H THR 95 -16.537 2.292 3.986
744 HA THR 95 HA THR 95 -15.142 3.060 6.319
745 HB THR 95 HB THR 95 -16.761 0.648 6.414
746 HG1 THR 95 HG1 THR 95 -18.598 1.478 5.675
747 1HG2 THR 95 1HG2 THR 95 -16.187 2.004 8.392
748 2HG2 THR 95 2HG2 THR 95 -17.922 1.782 8.164
749 3HG2 THR 95 3HG2 THR 95 -17.161 3.308 7.717
750 H VAL 96 H VAL 96 -15.430 -0.065 4.619
751 HA VAL 96 HA VAL 96 -13.632 -1.493 6.188
752 HB VAL 96 HB VAL 96 -14.097 -1.846 3.220
753 1HG1 VAL 96 1HG1 VAL 96 -13.537 -4.247 3.779
754 2HG1 VAL 96 2HG1 VAL 96 -12.940 -3.655 5.328
755 3HG1 VAL 96 3HG1 VAL 96 -12.191 -3.111 3.828
756 1HG2 VAL 96 1HG2 VAL 96 -16.044 -2.905 3.636
757 2HG2 VAL 96 2HG2 VAL 96 -16.029 -1.922 5.101
758 3HG2 VAL 96 3HG2 VAL 96 -15.468 -3.592 5.156
759 H MET 97 H MET 97 -13.028 0.349 3.209
760 HA MET 97 HA MET 97 -10.254 -0.152 3.120
761 1HB MET 97 2HB MET 97 -10.146 1.685 1.538
762 2HB MET 97 1HB MET 97 -11.555 0.695 1.201
763 1HG MET 97 2HG MET 97 -12.996 2.318 2.254
764 2HG MET 97 1HG MET 97 -11.600 3.290 2.717
765 1HE MET 97 1HE MET 97 -10.968 5.240 1.554
766 2HE MET 97 2HE MET 97 -10.818 5.415 -0.195
767 3HE MET 97 3HE MET 97 -9.838 4.224 0.658
768 H ASP 98 H ASP 98 -12.214 2.326 4.666
769 HA ASP 98 HA ASP 98 -10.132 4.020 5.486
770 1HB ASP 98 2HB ASP 98 -12.958 3.597 6.264
771 2HB ASP 98 1HB ASP 98 -11.935 4.395 7.454
772 H ASN 99 H ASN 99 -11.444 1.086 6.827
773 HA ASN 99 HA ASN 99 -10.170 1.240 9.355
774 1HB ASN 99 2HB ASN 99 -11.103 -1.192 7.808
775 2HB ASN 99 1HB ASN 99 -10.649 -1.181 9.511
776 1HD2 ASN 99 1HD2 ASN 99 -13.197 -1.789 8.104
777 2HD2 ASN 99 2HD2 ASN 99 -14.378 -0.784 8.867
778 H ILE 100 H ILE 100 -9.247 -0.195 6.261
779 HA ILE 100 HA ILE 100 -6.910 -1.498 7.103
780 HB ILE 100 HB ILE 100 -7.439 -0.246 4.402
781 1HG1 ILE 100 2HG1 ILE 100 -9.217 -1.823 5.173
782 2HG1 ILE 100 1HG1 ILE 100 -8.367 -2.367 3.731
783 1HG2 ILE 100 1HG2 ILE 100 -5.192 -0.786 4.361
784 2HG2 ILE 100 2HG2 ILE 100 -5.944 -2.247 3.717
785 3HG2 ILE 100 3HG2 ILE 100 -5.407 -2.199 5.396
786 1HD1 ILE 100 1HD1 ILE 100 -8.093 -3.381 6.540
787 2HD1 ILE 100 2HD1 ILE 100 -6.934 -3.764 5.264
788 3HD1 ILE 100 3HD1 ILE 100 -8.621 -4.258 5.098
789 H LYS 101 H LYS 101 -7.320 1.709 5.632
790 HA LYS 101 HA LYS 101 -4.604 2.456 5.894
791 1HB LYS 101 2HB LYS 101 -5.895 3.593 4.266
792 2HB LYS 101 1HB LYS 101 -7.149 3.993 5.426
793 1HG LYS 101 2HG LYS 101 -4.888 5.221 6.450
794 2HG LYS 101 1HG LYS 101 -4.748 5.442 4.706
795 1HD LYS 101 2HD LYS 101 -6.012 7.274 5.282
796 2HD LYS 101 1HD LYS 101 -7.270 6.102 4.889
797 1HE LYS 101 2HE LYS 101 -8.115 6.661 6.885
798 2HE LYS 101 1HE LYS 101 -6.873 5.584 7.521
799 1HZ LYS 101 1HZ LYS 101 -5.509 7.864 7.302
800 2HZ LYS 101 2HZ LYS 101 -6.319 7.391 8.709
801 3HZ LYS 101 3HZ LYS 101 -7.053 8.475 7.636
802 H MET 102 H MET 102 -7.330 2.544 8.009
803 HA MET 102 HA MET 102 -6.178 4.389 9.887
804 1HB MET 102 2HB MET 102 -8.651 2.721 9.785
805 2HB MET 102 1HB MET 102 -8.098 3.294 11.352
806 1HG MET 102 2HG MET 102 -8.057 5.611 10.341
807 2HG MET 102 1HG MET 102 -8.929 4.924 8.973
808 1HE MET 102 1HE MET 102 -10.664 3.167 9.488
809 2HE MET 102 2HE MET 102 -12.137 4.102 9.744
810 3HE MET 102 3HE MET 102 -11.553 3.012 11.001
811 H THR 103 H THR 103 -6.422 0.883 9.546
812 HA THR 103 HA THR 103 -5.242 0.396 12.131
813 HB THR 103 HB THR 103 -6.593 -1.135 10.134
814 HG1 THR 103 HG1 THR 103 -5.700 -1.802 12.739
815 1HG2 THR 103 1HG2 THR 103 -4.474 -1.971 9.412
816 2HG2 THR 103 2HG2 THR 103 -5.326 -3.219 10.324
817 3HG2 THR 103 3HG2 THR 103 -4.011 -2.313 11.076
818 H LEU 104 H LEU 104 -4.162 0.408 8.778
819 HA LEU 104 HA LEU 104 -1.595 -0.632 9.188
820 1HB LEU 104 2HB LEU 104 -2.796 1.166 7.115
821 2HB LEU 104 1HB LEU 104 -1.073 0.842 7.103
822 HG LEU 104 HG LEU 104 -3.194 -1.300 6.980
823 1HD1 LEU 104 1HD1 LEU 104 -1.483 -0.446 4.679
824 2HD1 LEU 104 2HD1 LEU 104 -3.016 0.360 5.012
825 3HD1 LEU 104 3HD1 LEU 104 -2.985 -1.369 4.673
826 1HD2 LEU 104 1HD2 LEU 104 -1.543 -2.815 6.995
827 2HD2 LEU 104 2HD2 LEU 104 -0.581 -1.530 7.725
828 3HD2 LEU 104 3HD2 LEU 104 -0.489 -1.824 5.987
829 H GLN 105 H GLN 105 -2.874 2.620 9.552
830 HA GLN 105 HA GLN 105 -0.446 3.995 9.790
831 1HB GLN 105 2HB GLN 105 -3.243 4.554 10.199
832 2HB GLN 105 1HB GLN 105 -2.287 5.273 11.487
833 1HG GLN 105 2HG GLN 105 -1.309 6.770 10.115
834 2HG GLN 105 1HG GLN 105 -1.287 5.665 8.742
835 1HE2 GLN 105 1HE2 GLN 105 -1.930 8.086 8.077
836 2HE2 GLN 105 2HE2 GLN 105 -3.628 8.287 7.828
837 H GLN 106 H GLN 106 -2.278 2.106 12.053
838 HA GLN 106 HA GLN 106 -0.998 2.961 14.421
839 1HB GLN 106 2HB GLN 106 -2.374 0.353 13.762
840 2HB GLN 106 1HB GLN 106 -1.859 0.821 15.377
841 1HG GLN 106 2HG GLN 106 -3.366 2.716 15.339
842 2HG GLN 106 1HG GLN 106 -3.844 2.325 13.687
843 1HE2 GLN 106 1HE2 GLN 106 -5.685 2.572 15.728
844 2HE2 GLN 106 2HE2 GLN 106 -6.383 1.026 16.055
845 H ILE 107 H ILE 107 -0.106 0.695 11.934
846 HA ILE 107 HA ILE 107 1.951 -0.570 13.505
847 HB ILE 107 HB ILE 107 1.402 -0.724 10.536
848 1HG1 ILE 107 2HG1 ILE 107 0.880 -3.137 12.012
849 2HG1 ILE 107 1HG1 ILE 107 -0.000 -1.800 12.746
850 1HG2 ILE 107 1HG2 ILE 107 2.797 -2.769 10.626
851 2HG2 ILE 107 2HG2 ILE 107 3.222 -2.369 12.291
852 3HG2 ILE 107 3HG2 ILE 107 3.701 -1.296 10.975
853 1HD1 ILE 107 1HD1 ILE 107 -0.868 -3.289 10.649
854 2HD1 ILE 107 2HD1 ILE 107 -0.182 -1.885 9.834
855 3HD1 ILE 107 3HD1 ILE 107 -1.441 -1.672 11.051
856 H ILE 108 H ILE 108 1.870 1.814 10.865
857 HA ILE 108 HA ILE 108 4.640 2.081 10.524
858 HB ILE 108 HB ILE 108 2.877 4.492 10.364
859 1HG1 ILE 108 2HG1 ILE 108 3.010 2.622 8.035
860 2HG1 ILE 108 1HG1 ILE 108 1.830 2.327 9.306
861 1HG2 ILE 108 1HG2 ILE 108 5.288 4.658 9.906
862 2HG2 ILE 108 2HG2 ILE 108 4.296 5.079 8.509
863 3HG2 ILE 108 3HG2 ILE 108 5.096 3.508 8.582
864 1HD1 ILE 108 1HD1 ILE 108 1.164 4.773 8.977
865 2HD1 ILE 108 2HD1 ILE 108 0.665 3.592 7.764
866 3HD1 ILE 108 3HD1 ILE 108 2.039 4.651 7.449
867 H SER 109 H SER 109 2.460 4.174 12.292
868 HA SER 109 HA SER 109 4.282 5.755 13.616
869 1HB SER 109 2HB SER 109 2.479 5.811 15.483
870 2HB SER 109 1HB SER 109 2.041 6.394 13.877
871 HG SER 109 HG SER 109 1.584 3.739 14.759
872 H ARG 110 H ARG 110 3.340 2.485 14.280
873 HA ARG 110 HA ARG 110 4.363 2.216 16.876
874 1HB ARG 110 2HB ARG 110 3.226 0.524 14.896
875 2HB ARG 110 1HB ARG 110 4.721 -0.226 15.436
876 1HG ARG 110 2HG ARG 110 3.822 0.210 17.810
877 2HG ARG 110 1HG ARG 110 2.264 0.424 17.008
878 1HD ARG 110 2HD ARG 110 2.590 -1.811 15.946
879 2HD ARG 110 1HD ARG 110 4.033 -2.017 16.939
880 HE ARG 110 HE ARG 110 1.318 -2.330 17.767
881 1HH1 ARG 110 1HH1 ARG 110 4.500 -1.412 18.868
882 2HH1 ARG 110 2HH1 ARG 110 4.185 -1.829 20.518
883 1HH2 ARG 110 1HH2 ARG 110 0.903 -2.881 19.937
884 2HH2 ARG 110 2HH2 ARG 110 2.143 -2.664 21.125
885 H TYR 111 H TYR 111 5.831 1.798 13.725
886 HA TYR 111 HA TYR 111 8.402 1.102 14.869
887 1HB TYR 111 2HB TYR 111 7.488 1.515 12.018
888 2HB TYR 111 1HB TYR 111 9.143 1.103 12.458
889 HD1 TYR 111 HD1 TYR 111 9.471 -1.056 13.841
890 HD2 TYR 111 HD2 TYR 111 5.921 -0.178 11.667
891 HE1 TYR 111 HE1 TYR 111 8.876 -3.441 13.859
892 HE2 TYR 111 HE2 TYR 111 5.316 -2.560 11.681
893 HH TYR 111 HH TYR 111 6.819 -4.828 13.670
894 H LYS 112 H LYS 112 6.771 3.889 13.583
895 HA LYS 112 HA LYS 112 8.987 5.537 13.064
896 1HB LYS 112 2HB LYS 112 6.180 6.244 13.929
897 2HB LYS 112 1HB LYS 112 7.364 7.410 13.353
898 1HG LYS 112 2HG LYS 112 7.364 5.539 11.358
899 2HG LYS 112 1HG LYS 112 5.674 5.563 11.867
900 1HD LYS 112 2HD LYS 112 6.032 8.164 11.784
901 2HD LYS 112 1HD LYS 112 7.336 7.728 10.678
902 1HE LYS 112 2HE LYS 112 4.651 6.511 10.275
903 2HE LYS 112 1HE LYS 112 4.890 8.195 9.808
904 1HZ LYS 112 1HZ LYS 112 5.310 6.711 7.959
905 2HZ LYS 112 2HZ LYS 112 6.490 5.885 8.844
906 3HZ LYS 112 3HZ LYS 112 6.738 7.500 8.407
907 H ASP 113 H ASP 113 7.079 4.980 15.980
908 HA ASP 113 HA ASP 113 8.124 6.932 17.643
909 1HB ASP 113 2HB ASP 113 6.293 5.003 17.978
910 2HB ASP 113 1HB ASP 113 7.637 4.250 18.832
911 H ALA 114 H ALA 114 9.446 3.786 16.782
912 HA ALA 114 HA ALA 114 11.524 3.699 18.676
913 1HB ALA 114 1HB ALA 114 11.312 1.654 17.735
914 2HB ALA 114 2HB ALA 114 12.573 2.269 16.668
915 3HB ALA 114 3HB ALA 114 10.887 2.305 16.152
916 H ASP 115 H ASP 115 11.256 5.245 15.540
917 HA ASP 115 HA ASP 115 14.058 6.083 15.654
918 1HB ASP 115 2HB ASP 115 13.171 5.165 13.525
919 2HB ASP 115 1HB ASP 115 12.020 6.495 13.456
920 H LEU 45 1H LEU 45 -3.368 3.813 -17.963
921 HA LEU 45 HA LEU 45 -1.392 2.995 -18.922
922 1HB LEU 45 2HB LEU 45 -1.149 5.928 -18.238
923 2HB LEU 45 1HB LEU 45 -0.455 5.128 -19.635
924 HG LEU 45 HG LEU 45 -3.391 5.566 -19.093
925 1HD1 LEU 45 1HD1 LEU 45 -1.344 6.903 -20.768
926 2HD1 LEU 45 2HD1 LEU 45 -2.738 7.576 -19.923
927 3HD1 LEU 45 3HD1 LEU 45 -2.960 6.714 -21.447
928 1HD2 LEU 45 1HD2 LEU 45 -3.026 3.400 -20.161
929 2HD2 LEU 45 2HD2 LEU 45 -2.051 4.175 -21.411
930 3HD2 LEU 45 3HD2 LEU 45 -3.770 4.544 -21.278
931 H SER 46 H SER 46 -0.370 5.390 -16.481
932 HA SER 46 HA SER 46 1.849 3.593 -15.769
933 1HB SER 46 2HB SER 46 1.934 6.424 -16.660
934 2HB SER 46 1HB SER 46 2.999 5.983 -15.325
935 HG SER 46 HG SER 46 3.930 4.412 -16.631
936 HA PRO 47 HA PRO 47 0.975 4.067 -11.489
937 1HB PRO 47 2HB PRO 47 3.351 5.159 -10.516
938 2HB PRO 47 1HB PRO 47 3.009 3.439 -10.713
939 1HG PRO 47 2HG PRO 47 4.525 5.289 -12.492
940 2HG PRO 47 1HG PRO 47 4.825 3.578 -12.131
941 1HD PRO 47 2HD PRO 47 3.729 4.345 -14.453
942 2HD PRO 47 1HD PRO 47 3.215 2.852 -13.639
943 H ASP 48 H ASP 48 2.734 6.849 -12.831
944 HA ASP 48 HA ASP 48 1.990 8.761 -10.954
945 1HB ASP 48 2HB ASP 48 2.550 9.042 -13.912
946 2HB ASP 48 1HB ASP 48 2.340 10.414 -12.827
947 H ASP 49 H ASP 49 0.124 7.216 -13.398
948 HA ASP 49 HA ASP 49 -1.881 9.176 -13.748
949 1HB ASP 49 2HB ASP 49 -1.386 7.058 -15.156
950 2HB ASP 49 1HB ASP 49 -2.395 6.223 -13.977
951 H ILE 50 H ILE 50 -1.714 6.289 -11.682
952 HA ILE 50 HA ILE 50 -4.220 6.664 -10.448
953 HB ILE 50 HB ILE 50 -1.824 5.242 -9.288
954 1HG1 ILE 50 2HG1 ILE 50 -2.300 4.393 -11.527
955 2HG1 ILE 50 1HG1 ILE 50 -2.778 3.208 -10.315
956 1HG2 ILE 50 1HG2 ILE 50 -3.403 4.004 -7.979
957 2HG2 ILE 50 2HG2 ILE 50 -4.760 4.776 -8.799
958 3HG2 ILE 50 3HG2 ILE 50 -3.713 5.723 -7.742
959 1HD1 ILE 50 1HD1 ILE 50 -4.510 3.201 -11.868
960 2HD1 ILE 50 2HD1 ILE 50 -4.514 4.958 -12.012
961 3HD1 ILE 50 3HD1 ILE 50 -5.121 4.191 -10.544
962 H GLU 51 H GLU 51 -1.128 8.093 -9.922
963 HA GLU 51 HA GLU 51 -1.423 8.905 -7.243
964 1HB GLU 51 2HB GLU 51 0.157 10.150 -9.499
965 2HB GLU 51 1HB GLU 51 0.306 10.612 -7.810
966 1HG GLU 51 2HG GLU 51 1.006 8.314 -7.270
967 2HG GLU 51 1HG GLU 51 0.928 7.913 -8.985
968 H GLN 52 H GLN 52 -2.542 10.267 -10.270
969 HA GLN 52 HA GLN 52 -3.281 12.807 -9.242
970 1HB GLN 52 2HB GLN 52 -3.641 11.316 -11.752
971 2HB GLN 52 1HB GLN 52 -4.929 12.455 -11.389
972 1HG GLN 52 2HG GLN 52 -3.296 14.249 -11.178
973 2HG GLN 52 1HG GLN 52 -1.996 13.109 -11.524
974 1HE2 GLN 52 1HE2 GLN 52 -2.647 11.730 -13.600
975 2HE2 GLN 52 2HE2 GLN 52 -3.050 12.705 -14.968
976 H TRP 53 H TRP 53 -4.862 9.697 -9.379
977 HA TRP 53 HA TRP 53 -7.512 10.432 -8.996
978 1HB TRP 53 2HB TRP 53 -5.955 8.024 -8.064
979 2HB TRP 53 1HB TRP 53 -7.683 8.192 -7.772
980 HD1 TRP 53 HD1 TRP 53 -5.552 8.760 -10.979
981 HE1 TRP 53 HE1 TRP 53 -6.668 7.463 -12.902
982 HE3 TRP 53 HE3 TRP 53 -9.427 6.653 -8.396
983 HZ2 TRP 53 HZ2 TRP 53 -8.895 5.772 -13.276
984 HZ3 TRP 53 HZ3 TRP 53 -11.007 5.208 -9.611
985 HH2 TRP 53 HH2 TRP 53 -10.746 4.779 -12.000
986 H PHE 54 H PHE 54 -4.832 10.577 -6.818
987 HA PHE 54 HA PHE 54 -6.651 11.312 -4.621
988 1HB PHE 54 2HB PHE 54 -3.813 10.295 -4.391
989 2HB PHE 54 1HB PHE 54 -4.920 10.624 -3.063
990 HD1 PHE 54 HD1 PHE 54 -6.220 8.918 -2.204
991 HD2 PHE 54 HD2 PHE 54 -4.571 8.515 -6.108
992 HE1 PHE 54 HE1 PHE 54 -7.024 6.595 -2.300
993 HE2 PHE 54 HE2 PHE 54 -5.374 6.192 -6.210
994 HZ PHE 54 HZ PHE 54 -6.602 5.228 -4.307
995 H THR 55 H THR 55 -4.370 12.502 -6.818
996 HA THR 55 HA THR 55 -3.500 14.665 -5.076
997 HB THR 55 HB THR 55 -2.518 13.413 -7.504
998 HG1 THR 55 HG1 THR 55 -0.585 13.945 -6.582
999 1HG2 THR 55 1HG2 THR 55 -2.917 15.369 -8.709
1000 2HG2 THR 55 2HG2 THR 55 -1.243 15.508 -8.167
1001 3HG2 THR 55 3HG2 THR 55 -2.520 16.396 -7.332
1002 H GLU 56 H GLU 56 -5.646 14.050 -7.748
1003 HA GLU 56 HA GLU 56 -6.046 16.678 -8.637
1004 1HB GLU 56 2HB GLU 56 -8.094 15.866 -9.645
1005 2HB GLU 56 1HB GLU 56 -6.824 14.668 -9.848
1006 1HG GLU 56 2HG GLU 56 -7.745 13.412 -7.937
1007 2HG GLU 56 1HG GLU 56 -9.055 14.587 -7.832
1008 H ASP 57 H ASP 57 -7.514 14.859 -6.004
1009 HA ASP 57 HA ASP 57 -8.886 15.462 -4.292
1010 1HB ASP 57 2HB ASP 57 -6.960 16.964 -3.835
1011 2HB ASP 57 1HB ASP 57 -7.746 18.220 -4.787
1012 HA PRO 58 HA PRO 58 -12.224 16.712 -7.266
1013 1HB PRO 58 2HB PRO 58 -13.677 15.199 -5.144
1014 2HB PRO 58 1HB PRO 58 -13.854 15.124 -6.900
1015 1HG PRO 58 2HG PRO 58 -12.574 13.196 -5.587
1016 2HG PRO 58 1HG PRO 58 -11.991 13.764 -7.163
1017 1HD PRO 58 2HD PRO 58 -10.921 14.315 -4.433
1018 2HD PRO 58 1HD PRO 58 -10.053 14.114 -5.968
Start of MODEL 11
1 HT1 PRO 1 HT2 PRO 1 -13.789 -6.376 8.311
2 HT2 PRO 1 HT1 PRO 1 -13.473 -6.929 9.894
3 HA PRO 1 HA PRO 1 -12.737 -4.564 8.687
4 1HB PRO 1 2HB PRO 1 -14.077 -3.815 11.194
5 2HB PRO 1 1HB PRO 1 -14.033 -2.971 9.641
6 1HG PRO 1 2HG PRO 1 -16.239 -4.278 10.529
7 2HG PRO 1 1HG PRO 1 -15.842 -4.118 8.812
8 1HD PRO 1 2HD PRO 1 -15.552 -6.482 10.616
9 2HD PRO 1 1HD PRO 1 -15.959 -6.425 8.889
10 H SER 2 H SER 2 -11.460 -3.256 10.440
11 HA SER 2 HA SER 2 -9.682 -3.228 11.857
12 1HB SER 2 2HB SER 2 -11.773 -4.748 13.191
13 2HB SER 2 1HB SER 2 -10.162 -5.204 13.744
14 HG SER 2 HG SER 2 -11.027 -2.514 13.554
15 H HIS 3 H HIS 3 -7.872 -3.900 10.897
16 HA HIS 3 HA HIS 3 -6.143 -5.226 10.265
17 1HB HIS 3 2HB HIS 3 -7.448 -7.216 12.132
18 2HB HIS 3 1HB HIS 3 -5.827 -7.371 11.457
19 HD1 HIS 3 HD1 HIS 3 -7.809 -5.375 13.938
20 HD2 HIS 3 HD2 HIS 3 -3.878 -5.802 12.662
21 HE1 HIS 3 HE1 HIS 3 -6.426 -4.087 15.591
22 HE2 HIS 3 HE2 HIS 3 -4.056 -4.296 14.761
23 H SER 4 H SER 4 -8.565 -5.157 8.750
24 HA SER 4 HA SER 4 -7.982 -6.981 6.767
25 1HB SER 4 2HB SER 4 -9.848 -8.577 6.866
26 2HB SER 4 1HB SER 4 -8.804 -8.729 8.285
27 HG SER 4 HG SER 4 -10.529 -8.385 9.418
28 H GLY 5 H GLY 5 -9.882 -7.210 5.169
29 1HA GLY 5 2HA GLY 5 -12.141 -5.786 5.006
30 2HA GLY 5 1HA GLY 5 -10.929 -4.526 4.807
31 H ALA 6 H ALA 6 -12.881 -6.625 3.197
32 HA ALA 6 HA ALA 6 -11.580 -7.791 1.146
33 1HB ALA 6 1HB ALA 6 -13.569 -7.050 -0.305
34 2HB ALA 6 2HB ALA 6 -14.166 -6.293 1.172
35 3HB ALA 6 3HB ALA 6 -13.881 -8.034 1.124
36 H ALA 7 H ALA 7 -10.033 -7.161 -0.183
37 HA ALA 7 HA ALA 7 -10.147 -4.414 -1.266
38 1HB ALA 7 1HB ALA 7 -8.467 -4.721 0.631
39 2HB ALA 7 2HB ALA 7 -7.864 -4.020 -0.872
40 3HB ALA 7 3HB ALA 7 -7.549 -5.714 -0.502
41 H ILE 8 H ILE 8 -9.260 -4.106 -3.342
42 HA ILE 8 HA ILE 8 -9.086 -6.576 -4.902
43 HB ILE 8 HB ILE 8 -9.756 -3.757 -5.614
44 1HG1 ILE 8 2HG1 ILE 8 -11.186 -5.688 -7.103
45 2HG1 ILE 8 1HG1 ILE 8 -11.064 -6.305 -5.458
46 1HG2 ILE 8 1HG2 ILE 8 -8.020 -4.189 -7.199
47 2HG2 ILE 8 2HG2 ILE 8 -9.578 -4.316 -8.015
48 3HG2 ILE 8 3HG2 ILE 8 -8.694 -5.775 -7.573
49 1HD1 ILE 8 1HD1 ILE 8 -13.066 -5.066 -5.647
50 2HD1 ILE 8 2HD1 ILE 8 -12.209 -3.685 -6.335
51 3HD1 ILE 8 3HD1 ILE 8 -11.940 -4.143 -4.653
52 H PHE 9 H PHE 9 -7.236 -7.321 -5.578
53 HA PHE 9 HA PHE 9 -4.922 -5.477 -5.633
54 1HB PHE 9 2HB PHE 9 -4.883 -7.344 -3.906
55 2HB PHE 9 1HB PHE 9 -4.735 -8.461 -5.257
56 HD1 PHE 9 HD1 PHE 9 -2.594 -9.300 -5.285
57 HD2 PHE 9 HD2 PHE 9 -3.180 -5.144 -4.585
58 HE1 PHE 9 HE1 PHE 9 -0.158 -8.956 -5.307
59 HE2 PHE 9 HE2 PHE 9 -0.745 -4.791 -4.606
60 HZ PHE 9 HZ PHE 9 0.771 -6.700 -4.968
61 H GLU 10 H GLU 10 -3.885 -5.207 -7.503
62 HA GLU 10 HA GLU 10 -3.347 -5.389 -9.709
63 1HB GLU 10 2HB GLU 10 -3.846 -8.338 -9.307
64 2HB GLU 10 1HB GLU 10 -2.882 -7.599 -10.577
65 1HG GLU 10 2HG GLU 10 -1.317 -6.768 -8.867
66 2HG GLU 10 1HG GLU 10 -2.265 -7.596 -7.632
67 H LYS 11 H LYS 11 -6.098 -4.875 -8.995
68 HA LYS 11 HA LYS 11 -8.034 -4.513 -10.150
69 1HB LYS 11 2HB LYS 11 -6.994 -6.249 -12.388
70 2HB LYS 11 1HB LYS 11 -8.238 -5.011 -12.469
71 1HG LYS 11 2HG LYS 11 -6.498 -3.311 -11.961
72 2HG LYS 11 1HG LYS 11 -5.286 -4.589 -12.070
73 1HD LYS 11 2HD LYS 11 -6.105 -5.053 -14.389
74 2HD LYS 11 1HD LYS 11 -7.123 -3.618 -14.254
75 1HE LYS 11 2HE LYS 11 -5.228 -2.818 -15.331
76 2HE LYS 11 1HE LYS 11 -4.936 -2.396 -13.646
77 1HZ LYS 11 1HZ LYS 11 -3.488 -4.267 -13.415
78 2HZ LYS 11 2HZ LYS 11 -2.995 -3.389 -14.774
79 3HZ LYS 11 3HZ LYS 11 -3.863 -4.828 -14.967
80 H VAL 12 H VAL 12 -6.900 -7.287 -8.919
81 HA VAL 12 HA VAL 12 -9.260 -8.880 -9.580
82 HB VAL 12 HB VAL 12 -6.610 -9.617 -8.348
83 1HG1 VAL 12 1HG1 VAL 12 -9.174 -11.200 -8.374
84 2HG1 VAL 12 2HG1 VAL 12 -8.134 -10.836 -6.997
85 3HG1 VAL 12 3HG1 VAL 12 -7.589 -11.962 -8.241
86 1HG2 VAL 12 1HG2 VAL 12 -6.567 -9.583 -10.706
87 2HG2 VAL 12 2HG2 VAL 12 -8.134 -10.400 -10.803
88 3HG2 VAL 12 3HG2 VAL 12 -6.714 -11.279 -10.236
89 H SER 13 H SER 13 -10.502 -9.778 -7.926
90 HA SER 13 HA SER 13 -10.613 -8.014 -5.615
91 1HB SER 13 2HB SER 13 -12.777 -9.037 -5.155
92 2HB SER 13 1HB SER 13 -12.677 -8.428 -6.805
93 HG SER 13 HG SER 13 -12.613 -10.456 -7.571
94 H GLY 14 H GLY 14 -10.565 -8.639 -3.512
95 1HA GLY 14 2HA GLY 14 -10.320 -11.292 -2.592
96 2HA GLY 14 1HA GLY 14 -8.719 -10.590 -2.789
97 H ILE 15 H ILE 15 -9.083 -11.226 -0.350
98 HA ILE 15 HA ILE 15 -10.195 -8.912 1.067
99 HB ILE 15 HB ILE 15 -9.335 -11.505 2.324
100 1HG1 ILE 15 2HG1 ILE 15 -11.092 -11.748 0.504
101 2HG1 ILE 15 1HG1 ILE 15 -11.521 -12.377 2.091
102 1HG2 ILE 15 1HG2 ILE 15 -9.566 -10.063 4.089
103 2HG2 ILE 15 2HG2 ILE 15 -11.244 -10.601 3.932
104 3HG2 ILE 15 3HG2 ILE 15 -10.751 -9.057 3.240
105 1HD1 ILE 15 1HD1 ILE 15 -12.322 -9.604 1.428
106 2HD1 ILE 15 2HD1 ILE 15 -13.148 -10.823 2.399
107 3HD1 ILE 15 3HD1 ILE 15 -13.173 -10.932 0.636
108 H ILE 16 H ILE 16 -8.939 -7.653 2.306
109 HA ILE 16 HA ILE 16 -6.066 -8.270 2.277
110 HB ILE 16 HB ILE 16 -7.552 -5.849 1.767
111 1HG1 ILE 16 2HG1 ILE 16 -4.592 -6.455 1.721
112 2HG1 ILE 16 1HG1 ILE 16 -5.717 -6.685 0.387
113 1HG2 ILE 16 1HG2 ILE 16 -7.277 -5.276 4.073
114 2HG2 ILE 16 2HG2 ILE 16 -6.221 -4.272 3.084
115 3HG2 ILE 16 3HG2 ILE 16 -5.552 -5.628 3.997
116 1HD1 ILE 16 1HD1 ILE 16 -5.574 -3.970 1.529
117 2HD1 ILE 16 2HD1 ILE 16 -5.740 -4.495 -0.147
118 3HD1 ILE 16 3HD1 ILE 16 -4.161 -4.535 0.640
119 H ALA 17 H ALA 17 -5.332 -9.029 4.129
120 HA ALA 17 HA ALA 17 -6.657 -8.184 6.616
121 1HB ALA 17 1HB ALA 17 -7.205 -10.507 5.905
122 2HB ALA 17 2HB ALA 17 -6.440 -10.390 7.497
123 3HB ALA 17 3HB ALA 17 -5.493 -10.912 6.102
124 H ILE 18 H ILE 18 -5.428 -7.407 8.171
125 HA ILE 18 HA ILE 18 -2.518 -7.464 7.788
126 HB ILE 18 HB ILE 18 -4.285 -5.530 9.286
127 1HG1 ILE 18 2HG1 ILE 18 -2.474 -5.029 6.922
128 2HG1 ILE 18 1HG1 ILE 18 -4.173 -5.458 6.749
129 1HG2 ILE 18 1HG2 ILE 18 -1.447 -6.072 9.557
130 2HG2 ILE 18 2HG2 ILE 18 -2.519 -5.095 10.563
131 3HG2 ILE 18 3HG2 ILE 18 -1.780 -4.395 9.124
132 1HD1 ILE 18 1HD1 ILE 18 -3.775 -3.049 6.571
133 2HD1 ILE 18 2HD1 ILE 18 -3.141 -3.046 8.216
134 3HD1 ILE 18 3HD1 ILE 18 -4.831 -3.458 7.922
135 H ASN 19 H ASN 19 -1.158 -8.144 9.381
136 HA ASN 19 HA ASN 19 -2.357 -9.046 11.910
137 1HB ASN 19 2HB ASN 19 -1.986 -10.938 10.255
138 2HB ASN 19 1HB ASN 19 -0.260 -10.632 10.427
139 1HD2 ASN 19 1HD2 ASN 19 -0.323 -12.902 11.138
140 2HD2 ASN 19 2HD2 ASN 19 -0.629 -13.227 12.807
141 H GLU 20 H GLU 20 -1.442 -7.886 13.464
142 HA GLU 20 HA GLU 20 1.281 -6.907 13.150
143 1HB GLU 20 2HB GLU 20 -0.735 -6.386 15.344
144 2HB GLU 20 1HB GLU 20 0.813 -5.574 15.158
145 1HG GLU 20 2HG GLU 20 0.060 -4.660 13.008
146 2HG GLU 20 1HG GLU 20 -1.502 -5.444 13.240
147 H ASP 21 H ASP 21 0.124 -9.746 14.072
148 HA ASP 21 HA ASP 21 1.489 -10.117 16.578
149 1HB ASP 21 2HB ASP 21 0.214 -12.077 14.659
150 2HB ASP 21 1HB ASP 21 0.892 -12.522 16.223
151 H VAL 22 H VAL 22 2.324 -10.174 13.274
152 HA VAL 22 HA VAL 22 4.690 -11.823 13.751
153 HB VAL 22 HB VAL 22 4.866 -11.207 11.129
154 1HG1 VAL 22 1HG1 VAL 22 3.357 -13.436 12.461
155 2HG1 VAL 22 2HG1 VAL 22 5.024 -13.437 11.886
156 3HG1 VAL 22 3HG1 VAL 22 3.693 -13.408 10.730
157 1HG2 VAL 22 1HG2 VAL 22 2.748 -11.191 10.054
158 2HG2 VAL 22 2HG2 VAL 22 2.719 -9.921 11.278
159 3HG2 VAL 22 3HG2 VAL 22 1.904 -11.457 11.580
160 H SER 23 H SER 23 6.763 -11.055 13.468
161 HA SER 23 HA SER 23 7.001 -8.132 13.208
162 1HB SER 23 2HB SER 23 7.728 -8.527 15.370
163 2HB SER 23 1HB SER 23 8.413 -10.100 14.966
164 HG SER 23 HG SER 23 9.535 -7.585 14.813
165 HA PRO 24 HA PRO 24 7.634 -6.675 12.216
166 1HB PRO 24 2HB PRO 24 7.724 -5.820 9.492
167 2HB PRO 24 1HB PRO 24 8.713 -5.256 10.837
168 1HG PRO 24 2HG PRO 24 9.641 -6.695 8.656
169 2HG PRO 24 1HG PRO 24 10.482 -6.524 10.207
170 1HD PRO 24 2HD PRO 24 8.853 -8.794 9.168
171 2HD PRO 24 1HD PRO 24 10.295 -8.817 10.206
172 H ALA 25 H ALA 25 5.502 -6.093 12.073
173 HA ALA 25 HA ALA 25 3.560 -7.855 11.279
174 1HB ALA 25 1HB ALA 25 1.969 -6.073 11.471
175 2HB ALA 25 2HB ALA 25 3.226 -4.859 11.228
176 3HB ALA 25 3HB ALA 25 3.214 -5.836 12.697
177 H GLU 26 H GLU 26 2.361 -8.249 9.444
178 HA GLU 26 HA GLU 26 3.073 -6.729 7.033
179 1HB GLU 26 2HB GLU 26 2.848 -9.737 7.121
180 2HB GLU 26 1HB GLU 26 3.294 -8.753 5.734
181 1HG GLU 26 2HG GLU 26 5.298 -7.998 7.033
182 2HG GLU 26 1HG GLU 26 4.879 -9.207 8.244
183 H LEU 27 H LEU 27 1.601 -7.192 5.197
184 HA LEU 27 HA LEU 27 -1.151 -7.705 6.116
185 1HB LEU 27 2HB LEU 27 -0.943 -5.358 5.691
186 2HB LEU 27 1HB LEU 27 -0.116 -5.644 4.173
187 HG LEU 27 HG LEU 27 -2.920 -6.627 4.525
188 1HD1 LEU 27 1HD1 LEU 27 -2.613 -3.970 3.311
189 2HD1 LEU 27 2HD1 LEU 27 -2.382 -4.027 5.058
190 3HD1 LEU 27 3HD1 LEU 27 -3.889 -4.607 4.347
191 1HD2 LEU 27 1HD2 LEU 27 -2.202 -7.361 2.499
192 2HD2 LEU 27 2HD2 LEU 27 -1.037 -6.051 2.310
193 3HD2 LEU 27 3HD2 LEU 27 -2.750 -5.756 2.018
194 H THR 28 H THR 28 -2.175 -9.298 5.054
195 HA THR 28 HA THR 28 -0.977 -10.226 2.527
196 HB THR 28 HB THR 28 -2.472 -11.860 4.582
197 HG1 THR 28 HG1 THR 28 0.292 -11.599 4.028
198 1HG2 THR 28 1HG2 THR 28 -1.471 -13.784 3.352
199 2HG2 THR 28 2HG2 THR 28 -1.026 -12.657 2.071
200 3HG2 THR 28 3HG2 THR 28 -2.726 -12.913 2.470
201 H TRP 29 H TRP 29 -2.190 -10.289 0.773
202 HA TRP 29 HA TRP 29 -5.040 -9.718 0.992
203 1HB TRP 29 2HB TRP 29 -3.825 -8.183 -0.437
204 2HB TRP 29 1HB TRP 29 -3.108 -9.522 -1.331
205 HD1 TRP 29 HD1 TRP 29 -6.603 -8.068 -0.637
206 HE1 TRP 29 HE1 TRP 29 -8.069 -8.433 -2.734
207 HE3 TRP 29 HE3 TRP 29 -3.277 -10.691 -3.476
208 HZ2 TRP 29 HZ2 TRP 29 -7.827 -9.683 -5.257
209 HZ3 TRP 29 HZ3 TRP 29 -3.965 -11.442 -5.718
210 HH2 TRP 29 HH2 TRP 29 -6.191 -10.949 -6.586
211 H ARG 30 H ARG 30 -6.473 -11.287 0.613
212 HA ARG 30 HA ARG 30 -5.566 -13.660 -0.895
213 1HB ARG 30 2HB ARG 30 -5.810 -14.174 1.497
214 2HB ARG 30 1HB ARG 30 -7.470 -13.598 1.455
215 1HG ARG 30 2HG ARG 30 -8.244 -15.480 0.489
216 2HG ARG 30 1HG ARG 30 -6.794 -15.702 -0.492
217 1HD ARG 30 2HD ARG 30 -5.750 -16.162 1.925
218 2HD ARG 30 1HD ARG 30 -7.412 -16.658 2.242
219 HE ARG 30 HE ARG 30 -6.819 -17.946 -0.057
220 1HH1 ARG 30 1HH1 ARG 30 -5.211 -17.737 3.033
221 2HH1 ARG 30 2HH1 ARG 30 -4.509 -19.315 2.916
222 1HH2 ARG 30 1HH2 ARG 30 -5.897 -20.024 -0.212
223 2HH2 ARG 30 2HH2 ARG 30 -4.899 -20.613 1.073
224 H SER 31 H SER 31 -6.612 -13.835 -2.767
225 HA SER 31 HA SER 31 -8.658 -12.306 -3.717
226 1HB SER 31 2HB SER 31 -7.447 -13.780 -5.190
227 2HB SER 31 1HB SER 31 -8.070 -15.202 -4.353
228 HG SER 31 HG SER 31 -9.382 -13.444 -6.103
229 H THR 32 H THR 32 -10.945 -12.778 -4.137
230 HA THR 32 HA THR 32 -12.337 -13.456 -1.778
231 HB THR 32 HB THR 32 -13.987 -13.590 -4.156
232 HG1 THR 32 HG1 THR 32 -13.522 -11.487 -4.902
233 1HG2 THR 32 1HG2 THR 32 -13.789 -11.427 -2.080
234 2HG2 THR 32 2HG2 THR 32 -14.766 -12.886 -1.924
235 3HG2 THR 32 3HG2 THR 32 -15.126 -11.715 -3.194
236 H ASP 33 H ASP 33 -11.657 -15.074 -4.782
237 HA ASP 33 HA ASP 33 -13.101 -17.427 -3.986
238 1HB ASP 33 2HB ASP 33 -12.494 -18.309 -6.213
239 2HB ASP 33 1HB ASP 33 -13.292 -16.743 -6.306
240 H GLY 34 H GLY 34 -9.915 -16.216 -3.837
241 1HA GLY 34 2HA GLY 34 -8.170 -17.175 -2.605
242 2HA GLY 34 1HA GLY 34 -9.010 -18.717 -2.655
243 H ASP 35 H ASP 35 -8.380 -16.765 -5.501
244 HA ASP 35 HA ASP 35 -6.725 -18.943 -6.542
245 1HB ASP 35 2HB ASP 35 -8.134 -16.662 -7.937
246 2HB ASP 35 1HB ASP 35 -7.109 -17.836 -8.756
247 H LYS 36 H LYS 36 -6.488 -15.725 -5.400
248 HA LYS 36 HA LYS 36 -3.675 -15.648 -6.241
249 1HB LYS 36 2HB LYS 36 -5.431 -13.198 -6.223
250 2HB LYS 36 1HB LYS 36 -3.793 -13.347 -6.848
251 1HG LYS 36 2HG LYS 36 -5.209 -15.233 -8.283
252 2HG LYS 36 1HG LYS 36 -6.336 -13.883 -8.136
253 1HD LYS 36 2HD LYS 36 -3.506 -13.732 -9.174
254 2HD LYS 36 1HD LYS 36 -4.975 -13.678 -10.152
255 1HE LYS 36 2HE LYS 36 -5.599 -11.668 -8.628
256 2HE LYS 36 1HE LYS 36 -3.874 -11.631 -8.269
257 1HZ LYS 36 1HZ LYS 36 -3.356 -11.206 -10.501
258 2HZ LYS 36 2HZ LYS 36 -4.665 -10.190 -10.164
259 3HZ LYS 36 3HZ LYS 36 -4.907 -11.616 -11.042
260 H VAL 37 H VAL 37 -2.252 -14.855 -4.746
261 HA VAL 37 HA VAL 37 -3.330 -13.692 -2.283
262 HB VAL 37 HB VAL 37 -1.331 -15.954 -2.278
263 1HG1 VAL 37 1HG1 VAL 37 -1.171 -14.213 -0.462
264 2HG1 VAL 37 2HG1 VAL 37 -1.433 -15.869 0.090
265 3HG1 VAL 37 3HG1 VAL 37 -2.777 -14.727 0.058
266 1HG2 VAL 37 1HG2 VAL 37 -4.172 -16.048 -1.292
267 2HG2 VAL 37 2HG2 VAL 37 -3.039 -17.387 -1.474
268 3HG2 VAL 37 3HG2 VAL 37 -3.693 -16.585 -2.902
269 H HIS 38 H HIS 38 -2.088 -12.132 -1.392
270 HA HIS 38 HA HIS 38 0.669 -11.809 -2.336
271 1HB HIS 38 2HB HIS 38 -0.639 -10.345 -3.755
272 2HB HIS 38 1HB HIS 38 -1.414 -9.626 -2.352
273 HD1 HIS 38 HD1 HIS 38 2.162 -10.043 -3.602
274 HD2 HIS 38 HD2 HIS 38 -0.273 -7.281 -1.676
275 HE1 HIS 38 HE1 HIS 38 3.597 -8.004 -3.259
276 HE2 HIS 38 HE2 HIS 38 2.070 -6.314 -2.184
277 H THR 39 H THR 39 2.049 -10.781 -0.934
278 HA THR 39 HA THR 39 0.971 -10.126 1.726
279 HB THR 39 HB THR 39 3.520 -11.661 1.189
280 HG1 THR 39 HG1 THR 39 2.375 -13.392 1.414
281 1HG2 THR 39 1HG2 THR 39 3.025 -12.124 3.759
282 2HG2 THR 39 2HG2 THR 39 2.357 -10.497 3.638
283 3HG2 THR 39 3HG2 THR 39 4.040 -10.793 3.205
284 H VAL 40 H VAL 40 1.805 -8.352 2.717
285 HA VAL 40 HA VAL 40 4.112 -7.025 1.460
286 HB VAL 40 HB VAL 40 1.576 -5.642 2.345
287 1HG1 VAL 40 1HG1 VAL 40 3.102 -3.774 1.040
288 2HG1 VAL 40 2HG1 VAL 40 4.313 -4.681 1.951
289 3HG1 VAL 40 3HG1 VAL 40 2.955 -3.929 2.793
290 1HG2 VAL 40 1HG2 VAL 40 1.088 -5.220 0.119
291 2HG2 VAL 40 2HG2 VAL 40 1.703 -6.873 0.069
292 3HG2 VAL 40 3HG2 VAL 40 2.743 -5.530 -0.409
293 H VAL 41 H VAL 41 5.501 -6.014 2.811
294 HA VAL 41 HA VAL 41 5.218 -6.567 5.650
295 HB VAL 41 HB VAL 41 7.387 -7.020 4.771
296 1HG1 VAL 41 1HG1 VAL 41 8.735 -5.158 3.706
297 2HG1 VAL 41 2HG1 VAL 41 7.206 -4.293 3.540
298 3HG1 VAL 41 3HG1 VAL 41 7.430 -5.849 2.744
299 1HG2 VAL 41 1HG2 VAL 41 8.840 -5.337 5.980
300 2HG2 VAL 41 2HG2 VAL 41 7.599 -6.131 6.945
301 3HG2 VAL 41 3HG2 VAL 41 7.352 -4.479 6.378
302 H LEU 42 H LEU 42 4.236 -5.144 6.933
303 HA LEU 42 HA LEU 42 3.591 -2.515 6.036
304 1HB LEU 42 2HB LEU 42 3.252 -3.737 8.774
305 2HB LEU 42 1HB LEU 42 2.483 -2.268 8.198
306 HG LEU 42 HG LEU 42 2.011 -5.043 7.105
307 1HD1 LEU 42 1HD1 LEU 42 1.066 -4.045 9.442
308 2HD1 LEU 42 2HD1 LEU 42 0.223 -5.232 8.446
309 3HD1 LEU 42 3HD1 LEU 42 -0.186 -3.522 8.315
310 1HD2 LEU 42 1HD2 LEU 42 1.541 -3.784 5.269
311 2HD2 LEU 42 2HD2 LEU 42 1.200 -2.333 6.213
312 3HD2 LEU 42 3HD2 LEU 42 0.000 -3.622 6.115
313 H SER 43 H SER 43 6.029 -3.854 8.156
314 HA SER 43 HA SER 43 6.762 -1.608 9.599
315 1HB SER 43 2HB SER 43 9.006 -2.684 9.788
316 2HB SER 43 1HB SER 43 7.665 -3.771 10.147
317 HG SER 43 HG SER 43 9.510 -3.858 8.115
318 H THR 44 H THR 44 7.232 -2.232 6.249
319 HA THR 44 HA THR 44 9.270 -0.148 6.041
320 HB THR 44 HB THR 44 9.949 -1.091 4.100
321 HG1 THR 44 HG1 THR 44 7.268 -1.782 3.492
322 1HG2 THR 44 1HG2 THR 44 9.809 -3.031 5.587
323 2HG2 THR 44 2HG2 THR 44 9.576 -3.459 3.892
324 3HG2 THR 44 3HG2 THR 44 8.189 -3.358 4.976
325 H ILE 45 H ILE 45 5.908 -0.635 5.568
326 HA ILE 45 HA ILE 45 5.247 1.160 3.600
327 HB ILE 45 HB ILE 45 3.762 0.607 6.167
328 1HG1 ILE 45 2HG1 ILE 45 4.177 -1.336 4.686
329 2HG1 ILE 45 1HG1 ILE 45 2.465 -0.944 4.814
330 1HG2 ILE 45 1HG2 ILE 45 3.136 2.373 3.887
331 2HG2 ILE 45 2HG2 ILE 45 2.592 2.445 5.563
332 3HG2 ILE 45 3HG2 ILE 45 1.830 1.324 4.436
333 1HD1 ILE 45 1HD1 ILE 45 4.311 -0.670 2.501
334 2HD1 ILE 45 2HD1 ILE 45 2.943 0.432 2.640
335 3HD1 ILE 45 3HD1 ILE 45 2.669 -1.309 2.570
336 H ASP 46 H ASP 46 6.454 2.986 3.491
337 HA ASP 46 HA ASP 46 7.019 4.677 5.684
338 1HB ASP 46 2HB ASP 46 8.335 4.580 3.558
339 2HB ASP 46 1HB ASP 46 7.009 5.412 2.752
340 H LYS 47 H LYS 47 4.318 4.463 3.478
341 HA LYS 47 HA LYS 47 2.873 6.391 5.074
342 1HB LYS 47 2HB LYS 47 3.224 6.942 2.124
343 2HB LYS 47 1HB LYS 47 2.330 7.914 3.282
344 1HG LYS 47 2HG LYS 47 4.459 8.364 4.472
345 2HG LYS 47 1HG LYS 47 5.309 7.497 3.190
346 1HD LYS 47 2HD LYS 47 4.056 9.149 1.615
347 2HD LYS 47 1HD LYS 47 3.868 10.118 3.078
348 1HE LYS 47 2HE LYS 47 6.422 9.231 1.756
349 2HE LYS 47 1HE LYS 47 5.837 10.877 1.991
350 1HZ LYS 47 1HZ LYS 47 7.496 10.488 3.608
351 2HZ LYS 47 2HZ LYS 47 6.830 9.001 4.059
352 3HZ LYS 47 3HZ LYS 47 6.019 10.438 4.434
353 H LEU 48 H LEU 48 0.604 6.535 4.497
354 HA LEU 48 HA LEU 48 -0.364 4.315 2.854
355 1HB LEU 48 2HB LEU 48 -1.175 3.253 4.625
356 2HB LEU 48 1HB LEU 48 -0.518 4.490 5.676
357 HG LEU 48 HG LEU 48 -2.710 5.766 5.038
358 1HD1 LEU 48 1HD1 LEU 48 -3.779 2.984 4.862
359 2HD1 LEU 48 2HD1 LEU 48 -3.255 3.837 3.410
360 3HD1 LEU 48 3HD1 LEU 48 -4.545 4.506 4.407
361 1HD2 LEU 48 1HD2 LEU 48 -3.469 5.247 7.114
362 2HD2 LEU 48 2HD2 LEU 48 -1.857 4.544 7.242
363 3HD2 LEU 48 3HD2 LEU 48 -3.242 3.514 6.882
364 H GLN 49 H GLN 49 -1.861 4.910 1.422
365 HA GLN 49 HA GLN 49 -3.190 7.508 1.830
366 1HB GLN 49 2HB GLN 49 -2.280 6.238 -0.757
367 2HB GLN 49 1HB GLN 49 -3.227 7.715 -0.647
368 1HG GLN 49 2HG GLN 49 -1.414 8.810 0.540
369 2HG GLN 49 1HG GLN 49 -0.469 7.324 0.493
370 1HE2 GLN 49 1HE2 GLN 49 0.523 9.678 -0.508
371 2HE2 GLN 49 2HE2 GLN 49 0.653 9.567 -2.227
372 H ALA 50 H ALA 50 -5.351 7.668 1.429
373 HA ALA 50 HA ALA 50 -6.767 5.359 0.336
374 1HB ALA 50 1HB ALA 50 -8.086 4.934 2.168
375 2HB ALA 50 2HB ALA 50 -7.847 6.542 2.851
376 3HB ALA 50 3HB ALA 50 -6.557 5.343 2.944
377 H THR 51 H THR 51 -8.688 5.858 -0.664
378 HA THR 51 HA THR 51 -9.046 8.598 -1.413
379 HB THR 51 HB THR 51 -10.986 7.702 -2.724
380 HG1 THR 51 HG1 THR 51 -11.729 5.944 -1.794
381 1HG2 THR 51 1HG2 THR 51 -8.240 6.612 -3.014
382 2HG2 THR 51 2HG2 THR 51 -9.160 7.670 -4.082
383 3HG2 THR 51 3HG2 THR 51 -9.526 5.947 -4.020
384 HA PRO 52 HA PRO 52 -11.690 9.390 2.165
385 1HB PRO 52 2HB PRO 52 -12.141 12.018 1.555
386 2HB PRO 52 1HB PRO 52 -10.701 11.437 2.397
387 1HG PRO 52 2HG PRO 52 -11.064 12.109 -0.496
388 2HG PRO 52 1HG PRO 52 -9.704 12.484 0.580
389 1HD PRO 52 2HD PRO 52 -9.602 10.458 -1.188
390 2HD PRO 52 1HD PRO 52 -8.812 10.357 0.400
391 H ALA 53 H ALA 53 -13.899 10.022 2.501
392 HA ALA 53 HA ALA 53 -15.707 8.977 0.673
393 1HB ALA 53 1HB ALA 53 -16.107 9.365 3.112
394 2HB ALA 53 2HB ALA 53 -17.441 9.847 2.063
395 3HB ALA 53 3HB ALA 53 -16.363 11.070 2.737
396 H SER 54 H SER 54 -14.707 12.338 1.173
397 HA SER 54 HA SER 54 -16.529 13.568 -0.544
398 1HB SER 54 2HB SER 54 -13.673 14.407 0.001
399 2HB SER 54 1HB SER 54 -14.959 15.441 -0.621
400 HG SER 54 HG SER 54 -15.908 15.463 1.320
401 H SER 55 H SER 55 -13.680 11.734 -1.202
402 HA SER 55 HA SER 55 -13.518 12.558 -3.959
403 1HB SER 55 2HB SER 55 -11.464 12.066 -2.668
404 2HB SER 55 1HB SER 55 -11.993 10.392 -2.503
405 HG SER 55 HG SER 55 -10.763 11.607 -4.585
406 H GLU 56 H GLU 56 -14.751 11.718 -5.481
407 HA GLU 56 HA GLU 56 -16.523 9.596 -5.124
408 1HB GLU 56 2HB GLU 56 -15.348 10.735 -7.663
409 2HB GLU 56 1HB GLU 56 -16.682 9.592 -7.625
410 1HG GLU 56 2HG GLU 56 -16.658 12.378 -6.493
411 2HG GLU 56 1HG GLU 56 -17.539 11.813 -7.911
412 H LYS 57 H LYS 57 -13.160 9.590 -5.709
413 HA LYS 57 HA LYS 57 -12.974 7.050 -7.001
414 1HB LYS 57 2HB LYS 57 -10.897 8.625 -5.471
415 2HB LYS 57 1HB LYS 57 -10.565 7.211 -6.462
416 1HG LYS 57 2HG LYS 57 -11.698 9.820 -7.450
417 2HG LYS 57 1HG LYS 57 -10.029 9.279 -7.633
418 1HD LYS 57 2HD LYS 57 -10.980 7.246 -8.828
419 2HD LYS 57 1HD LYS 57 -12.511 8.122 -8.878
420 1HE LYS 57 2HE LYS 57 -11.313 9.994 -10.015
421 2HE LYS 57 1HE LYS 57 -9.884 8.965 -10.093
422 1HZ LYS 57 1HZ LYS 57 -12.377 8.804 -11.601
423 2HZ LYS 57 2HZ LYS 57 -11.639 7.340 -11.187
424 3HZ LYS 57 3HZ LYS 57 -10.790 8.485 -12.097
425 H MET 58 H MET 58 -12.420 5.061 -6.152
426 HA MET 58 HA MET 58 -12.519 4.795 -3.220
427 1HB MET 58 2HB MET 58 -13.923 3.041 -5.245
428 2HB MET 58 1HB MET 58 -13.838 2.720 -3.519
429 1HG MET 58 2HG MET 58 -14.962 4.957 -3.179
430 2HG MET 58 1HG MET 58 -15.259 4.964 -4.917
431 1HE MET 58 1HE MET 58 -16.100 1.334 -2.612
432 2HE MET 58 2HE MET 58 -16.808 2.562 -1.563
433 3HE MET 58 3HE MET 58 -15.115 2.686 -2.048
434 H MET 59 H MET 59 -10.325 4.445 -2.982
435 HA MET 59 HA MET 59 -9.358 1.835 -3.421
436 1HB MET 59 2HB MET 59 -9.154 2.377 -5.726
437 2HB MET 59 1HB MET 59 -8.465 3.951 -5.370
438 1HG MET 59 2HG MET 59 -6.901 1.720 -4.321
439 2HG MET 59 1HG MET 59 -7.066 1.716 -6.074
440 1HE MET 59 1HE MET 59 -7.248 5.275 -6.215
441 2HE MET 59 2HE MET 59 -6.913 3.999 -7.386
442 3HE MET 59 3HE MET 59 -5.690 5.223 -7.042
443 H LEU 60 H LEU 60 -7.371 1.454 -2.428
444 HA LEU 60 HA LEU 60 -6.299 3.710 -0.863
445 1HB LEU 60 2HB LEU 60 -7.245 1.134 -0.075
446 2HB LEU 60 1HB LEU 60 -5.526 1.210 0.259
447 HG LEU 60 HG LEU 60 -7.075 3.556 1.149
448 1HD1 LEU 60 1HD1 LEU 60 -8.600 1.613 1.595
449 2HD1 LEU 60 2HD1 LEU 60 -8.090 2.512 3.025
450 3HD1 LEU 60 3HD1 LEU 60 -7.342 0.960 2.646
451 1HD2 LEU 60 1HD2 LEU 60 -4.571 2.722 1.544
452 2HD2 LEU 60 2HD2 LEU 60 -5.342 1.952 2.931
453 3HD2 LEU 60 3HD2 LEU 60 -5.447 3.700 2.719
454 H ARG 61 H ARG 61 -4.051 3.931 -0.686
455 HA ARG 61 HA ARG 61 -2.439 2.137 -2.374
456 1HB ARG 61 2HB ARG 61 -2.879 5.009 -2.674
457 2HB ARG 61 1HB ARG 61 -1.176 4.579 -2.614
458 1HG ARG 61 2HG ARG 61 -1.686 2.861 -4.400
459 2HG ARG 61 1HG ARG 61 -3.257 3.649 -4.567
460 1HD ARG 61 2HD ARG 61 -2.105 5.780 -5.025
461 2HD ARG 61 1HD ARG 61 -0.556 4.942 -4.928
462 HE ARG 61 HE ARG 61 -2.336 4.991 -7.149
463 1HH1 ARG 61 1HH1 ARG 61 -0.019 2.983 -5.484
464 2HH1 ARG 61 2HH1 ARG 61 0.389 2.067 -6.896
465 1HH2 ARG 61 1HH2 ARG 61 -1.799 3.789 -9.007
466 2HH2 ARG 61 2HH2 ARG 61 -0.621 2.525 -8.895
467 H LEU 62 H LEU 62 -0.601 1.433 -1.501
468 HA LEU 62 HA LEU 62 0.301 2.653 1.031
469 1HB LEU 62 2HB LEU 62 0.524 -0.173 -0.003
470 2HB LEU 62 1HB LEU 62 1.400 0.403 1.398
471 HG LEU 62 HG LEU 62 -0.404 0.271 2.752
472 1HD1 LEU 62 1HD1 LEU 62 -2.242 0.915 0.452
473 2HD1 LEU 62 2HD1 LEU 62 -1.603 2.088 1.603
474 3HD1 LEU 62 3HD1 LEU 62 -2.686 0.809 2.155
475 1HD2 LEU 62 1HD2 LEU 62 -0.204 -1.930 1.637
476 2HD2 LEU 62 2HD2 LEU 62 -1.459 -1.430 0.502
477 3HD2 LEU 62 3HD2 LEU 62 -1.835 -1.588 2.218
478 H ILE 63 H ILE 63 2.456 3.167 1.291
479 HA ILE 63 HA ILE 63 4.060 3.118 -1.173
480 HB ILE 63 HB ILE 63 4.944 4.702 1.186
481 1HG1 ILE 63 2HG1 ILE 63 2.626 5.325 1.163
482 2HG1 ILE 63 1HG1 ILE 63 3.542 6.624 0.406
483 1HG2 ILE 63 1HG2 ILE 63 5.177 4.810 -1.777
484 2HG2 ILE 63 2HG2 ILE 63 6.427 4.938 -0.537
485 3HG2 ILE 63 3HG2 ILE 63 5.351 6.301 -0.848
486 1HD1 ILE 63 1HD1 ILE 63 2.714 6.167 -1.685
487 2HD1 ILE 63 2HD1 ILE 63 1.329 5.860 -0.637
488 3HD1 ILE 63 3HD1 ILE 63 2.275 4.511 -1.268
489 H GLY 64 H GLY 64 6.253 2.487 -1.116
490 1HA GLY 64 2HA GLY 64 6.917 0.759 1.188
491 2HA GLY 64 1HA GLY 64 7.403 0.421 -0.468
492 H LYS 65 H LYS 65 8.792 1.058 2.249
493 HA LYS 65 HA LYS 65 10.228 3.422 2.054
494 1HB LYS 65 2HB LYS 65 10.550 0.861 3.464
495 2HB LYS 65 1HB LYS 65 12.056 1.727 3.185
496 1HG LYS 65 2HG LYS 65 11.215 3.665 4.332
497 2HG LYS 65 1HG LYS 65 9.624 2.920 4.498
498 1HD LYS 65 2HD LYS 65 10.831 1.055 5.766
499 2HD LYS 65 1HD LYS 65 12.201 2.165 5.849
500 1HE LYS 65 2HE LYS 65 11.164 3.552 7.317
501 2HE LYS 65 1HE LYS 65 9.562 3.238 6.649
502 1HZ LYS 65 1HZ LYS 65 9.366 2.127 8.595
503 2HZ LYS 65 2HZ LYS 65 11.022 1.807 8.730
504 3HZ LYS 65 3HZ LYS 65 10.062 0.875 7.694
505 H VAL 66 H VAL 66 12.243 3.975 1.203
506 HA VAL 66 HA VAL 66 13.182 2.200 -0.953
507 HB VAL 66 HB VAL 66 12.137 4.545 -1.457
508 1HG1 VAL 66 1HG1 VAL 66 14.895 5.584 -1.334
509 2HG1 VAL 66 2HG1 VAL 66 14.004 5.499 0.185
510 3HG1 VAL 66 3HG1 VAL 66 13.354 6.424 -1.168
511 1HG2 VAL 66 1HG2 VAL 66 14.547 4.476 -3.033
512 2HG2 VAL 66 2HG2 VAL 66 12.881 4.123 -3.500
513 3HG2 VAL 66 3HG2 VAL 66 13.887 2.855 -2.802
514 H ASP 67 H ASP 67 15.506 3.616 -1.559
515 HA ASP 67 HA ASP 67 17.205 4.175 0.583
516 1HB ASP 67 2HB ASP 67 16.862 1.773 1.119
517 2HB ASP 67 1HB ASP 67 17.499 1.349 -0.467
518 H GLU 68 H GLU 68 17.450 5.756 -1.164
519 HA GLU 68 HA GLU 68 18.421 5.235 -3.694
520 1HB GLU 68 2HB GLU 68 19.079 7.606 -1.943
521 2HB GLU 68 1HB GLU 68 19.280 7.540 -3.688
522 1HG GLU 68 2HG GLU 68 16.874 7.273 -3.963
523 2HG GLU 68 1HG GLU 68 16.665 7.319 -2.213
524 H SER 69 H SER 69 20.060 5.031 -0.679
525 HA SER 69 HA SER 69 22.716 5.341 -1.533
526 1HB SER 69 2HB SER 69 21.656 3.607 0.712
527 2HB SER 69 1HB SER 69 23.326 4.139 0.519
528 HG SER 69 HG SER 69 22.377 6.339 0.575
529 H LYS 70 H LYS 70 20.454 2.887 -2.209
530 HA LYS 70 HA LYS 70 22.144 0.645 -2.419
531 1HB LYS 70 2HB LYS 70 19.573 1.330 -3.847
532 2HB LYS 70 1HB LYS 70 20.368 -0.233 -3.968
533 1HG LYS 70 2HG LYS 70 19.416 0.993 -1.389
534 2HG LYS 70 1HG LYS 70 18.499 -0.173 -2.344
535 1HD LYS 70 2HD LYS 70 20.428 -1.749 -2.121
536 2HD LYS 70 1HD LYS 70 21.167 -0.599 -1.007
537 1HE LYS 70 2HE LYS 70 20.090 -1.790 0.565
538 2HE LYS 70 1HE LYS 70 18.695 -0.834 0.070
539 1HZ LYS 70 1HZ LYS 70 19.404 -3.560 -0.867
540 2HZ LYS 70 2HZ LYS 70 18.140 -2.635 -1.505
541 3HZ LYS 70 3HZ LYS 70 18.091 -3.131 0.110
542 H LYS 71 H LYS 71 21.169 3.086 -4.806
543 HA LYS 71 HA LYS 71 22.089 3.729 -6.783
544 1HB LYS 71 2HB LYS 71 24.371 2.591 -5.292
545 2HB LYS 71 1HB LYS 71 24.586 2.686 -7.033
546 1HG LYS 71 2HG LYS 71 23.679 5.042 -5.415
547 2HG LYS 71 1HG LYS 71 25.386 4.656 -5.646
548 1HD LYS 71 2HD LYS 71 24.975 4.699 -8.115
549 2HD LYS 71 1HD LYS 71 23.349 5.294 -7.775
550 1HE LYS 71 2HE LYS 71 24.724 7.057 -6.335
551 2HE LYS 71 1HE LYS 71 25.972 6.657 -7.513
552 1HZ LYS 71 1HZ LYS 71 23.231 7.441 -8.314
553 2HZ LYS 71 2HZ LYS 71 24.624 7.386 -9.272
554 3HZ LYS 71 3HZ LYS 71 24.465 8.575 -8.082
555 H ARG 72 H ARG 72 20.769 2.644 -8.172
556 HA ARG 72 HA ARG 72 21.578 -0.064 -8.987
557 1HB ARG 72 2HB ARG 72 18.956 1.407 -9.291
558 2HB ARG 72 1HB ARG 72 19.291 -0.151 -10.035
559 1HG ARG 72 2HG ARG 72 19.433 0.351 -7.073
560 2HG ARG 72 1HG ARG 72 18.003 -0.262 -7.904
561 1HD ARG 72 2HD ARG 72 19.373 -2.152 -8.748
562 2HD ARG 72 1HD ARG 72 20.718 -1.565 -7.771
563 HE ARG 72 HE ARG 72 19.732 -2.505 -5.941
564 1HH1 ARG 72 1HH1 ARG 72 17.314 -2.149 -8.433
565 2HH1 ARG 72 2HH1 ARG 72 16.094 -2.999 -7.545
566 1HH2 ARG 72 1HH2 ARG 72 18.128 -3.623 -4.772
567 2HH2 ARG 72 2HH2 ARG 72 16.557 -3.835 -5.466
568 H LYS 73 H LYS 73 21.858 -0.571 -11.169
569 HA LYS 73 HA LYS 73 22.376 1.759 -12.878
570 1HB LYS 73 2HB LYS 73 23.407 -1.073 -13.090
571 2HB LYS 73 1HB LYS 73 23.804 0.233 -14.198
572 1HG LYS 73 2HG LYS 73 24.379 1.192 -11.624
573 2HG LYS 73 1HG LYS 73 25.010 -0.455 -11.695
574 1HD LYS 73 2HD LYS 73 25.886 0.405 -14.056
575 2HD LYS 73 1HD LYS 73 25.805 1.961 -13.228
576 1HE LYS 73 2HE LYS 73 27.499 1.448 -11.811
577 2HE LYS 73 1HE LYS 73 27.066 -0.258 -11.739
578 1HZ LYS 73 1HZ LYS 73 27.957 -0.426 -14.061
579 2HZ LYS 73 2HZ LYS 73 29.116 -0.118 -12.868
580 3HZ LYS 73 3HZ LYS 73 28.583 1.135 -13.869
581 H ASP 74 H ASP 74 21.590 1.881 -14.965
582 HA ASP 74 HA ASP 74 19.172 0.348 -15.444
583 1HB ASP 74 2HB ASP 74 18.807 1.926 -17.305
584 2HB ASP 74 1HB ASP 74 19.091 2.761 -15.781
585 H ASN 75 H ASN 75 18.813 -0.117 -17.930
586 HA ASN 75 HA ASN 75 20.558 -2.227 -18.599
587 1HB ASN 75 2HB ASN 75 18.459 -0.822 -20.260
588 2HB ASN 75 1HB ASN 75 19.265 -2.316 -20.728
589 1HD2 ASN 75 1HD2 ASN 75 16.514 -2.101 -20.470
590 2HD2 ASN 75 2HD2 ASN 75 15.999 -3.079 -19.141
591 H GLU 76 H GLU 76 20.766 1.129 -19.182
592 HA GLU 76 HA GLU 76 22.422 0.876 -21.547
593 1HB GLU 76 2HB GLU 76 21.578 3.254 -19.890
594 2HB GLU 76 1HB GLU 76 22.639 3.375 -21.286
595 1HG GLU 76 2HG GLU 76 19.864 2.224 -21.376
596 2HG GLU 76 1HG GLU 76 20.254 3.903 -21.747
597 H GLY 77 H GLY 77 23.062 0.137 -18.486
598 1HA GLY 77 2HA GLY 77 25.092 -0.245 -17.451
599 2HA GLY 77 1HA GLY 77 25.888 0.533 -18.809
600 H ASN 78 H ASN 78 23.438 2.483 -17.559
601 HA ASN 78 HA ASN 78 25.437 4.135 -16.188
602 1HB ASN 78 2HB ASN 78 22.682 4.863 -17.210
603 2HB ASN 78 1HB ASN 78 23.827 5.978 -16.469
604 1HD2 ASN 78 1HD2 ASN 78 22.630 4.940 -19.321
605 2HD2 ASN 78 2HD2 ASN 78 23.943 5.357 -20.365
606 H GLU 79 H GLU 79 24.736 5.300 -14.230
607 HA GLU 79 HA GLU 79 23.290 3.486 -12.473
608 1HB GLU 79 2HB GLU 79 24.843 6.009 -11.864
609 2HB GLU 79 1HB GLU 79 24.128 4.945 -10.660
610 1HG GLU 79 2HG GLU 79 25.572 3.117 -11.453
611 2HG GLU 79 1HG GLU 79 26.321 4.233 -12.595
612 H VAL 80 H VAL 80 21.551 4.127 -11.148
613 HA VAL 80 HA VAL 80 20.239 6.659 -11.816
614 HB VAL 80 HB VAL 80 18.155 5.726 -12.340
615 1HG1 VAL 80 1HG1 VAL 80 18.535 4.459 -14.284
616 2HG1 VAL 80 2HG1 VAL 80 20.001 3.733 -13.622
617 3HG1 VAL 80 3HG1 VAL 80 19.987 5.437 -14.074
618 1HG2 VAL 80 1HG2 VAL 80 19.217 3.126 -11.243
619 2HG2 VAL 80 2HG2 VAL 80 17.726 3.240 -12.176
620 3HG2 VAL 80 3HG2 VAL 80 17.868 4.090 -10.636
621 H VAL 81 H VAL 81 18.552 7.259 -10.298
622 HA VAL 81 HA VAL 81 19.226 6.432 -7.593
623 HB VAL 81 HB VAL 81 17.162 8.472 -8.432
624 1HG1 VAL 81 1HG1 VAL 81 16.731 8.253 -6.226
625 2HG1 VAL 81 2HG1 VAL 81 18.128 9.318 -6.071
626 3HG1 VAL 81 3HG1 VAL 81 18.321 7.576 -5.872
627 1HG2 VAL 81 1HG2 VAL 81 18.795 10.174 -8.332
628 2HG2 VAL 81 2HG2 VAL 81 19.491 8.901 -9.334
629 3HG2 VAL 81 3HG2 VAL 81 20.003 9.081 -7.656
630 HA PRO 82 HA PRO 82 16.026 3.259 -7.948
631 1HB PRO 82 2HB PRO 82 16.489 3.282 -4.996
632 2HB PRO 82 1HB PRO 82 16.387 1.912 -6.108
633 1HG PRO 82 2HG PRO 82 18.745 2.745 -5.195
634 2HG PRO 82 1HG PRO 82 18.557 2.199 -6.872
635 1HD PRO 82 2HD PRO 82 18.834 4.963 -5.798
636 2HD PRO 82 1HD PRO 82 19.411 4.283 -7.330
637 H LYS 83 H LYS 83 13.847 3.232 -7.581
638 HA LYS 83 HA LYS 83 12.743 5.535 -6.110
639 1HB LYS 83 2HB LYS 83 11.928 4.147 -8.621
640 2HB LYS 83 1HB LYS 83 10.659 4.817 -7.605
641 1HG LYS 83 2HG LYS 83 12.264 6.937 -7.686
642 2HG LYS 83 1HG LYS 83 12.728 6.187 -9.215
643 1HD LYS 83 2HD LYS 83 10.979 7.506 -9.904
644 2HD LYS 83 1HD LYS 83 10.128 6.002 -9.545
645 1HE LYS 83 2HE LYS 83 9.189 6.839 -7.615
646 2HE LYS 83 1HE LYS 83 10.462 8.039 -7.391
647 1HZ LYS 83 1HZ LYS 83 8.373 9.058 -8.059
648 2HZ LYS 83 2HZ LYS 83 8.350 8.138 -9.478
649 3HZ LYS 83 3HZ LYS 83 9.560 9.296 -9.241
650 HA PRO 84 HA PRO 84 10.775 2.865 -3.260
651 1HB PRO 84 2HB PRO 84 8.580 4.789 -3.072
652 2HB PRO 84 1HB PRO 84 9.798 4.351 -1.869
653 1HG PRO 84 2HG PRO 84 9.858 6.723 -3.063
654 2HG PRO 84 1HG PRO 84 11.357 5.859 -2.710
655 1HD PRO 84 2HD PRO 84 9.838 6.006 -5.296
656 2HD PRO 84 1HD PRO 84 11.572 6.278 -4.995
657 H GLN 85 H GLN 85 8.994 1.467 -2.927
658 HA GLN 85 HA GLN 85 7.492 0.914 -5.351
659 1HB GLN 85 2HB GLN 85 6.896 -0.729 -2.986
660 2HB GLN 85 1HB GLN 85 7.310 -1.219 -4.621
661 1HG GLN 85 2HG GLN 85 9.699 -0.303 -3.780
662 2HG GLN 85 1HG GLN 85 9.015 -0.861 -2.253
663 1HE2 GLN 85 1HE2 GLN 85 9.784 -2.787 -1.797
664 2HE2 GLN 85 2HE2 GLN 85 9.973 -4.100 -2.902
665 H ARG 86 H ARG 86 5.184 0.609 -5.348
666 HA ARG 86 HA ARG 86 3.734 1.882 -3.151
667 1HB ARG 86 2HB ARG 86 4.349 3.442 -5.212
668 2HB ARG 86 1HB ARG 86 2.944 2.658 -5.921
669 1HG ARG 86 2HG ARG 86 1.495 3.534 -4.319
670 2HG ARG 86 1HG ARG 86 2.811 3.926 -3.211
671 1HD ARG 86 2HD ARG 86 2.062 5.969 -4.173
672 2HD ARG 86 1HD ARG 86 3.622 5.585 -4.899
673 HE ARG 86 HE ARG 86 1.382 4.637 -6.425
674 1HH1 ARG 86 1HH1 ARG 86 3.465 7.368 -5.805
675 2HH1 ARG 86 2HH1 ARG 86 3.185 8.091 -7.353
676 1HH2 ARG 86 1HH2 ARG 86 1.014 5.588 -8.463
677 2HH2 ARG 86 2HH2 ARG 86 1.795 7.081 -8.862
678 H HIS 87 H HIS 87 2.145 0.564 -2.570
679 HA HIS 87 HA HIS 87 1.156 -1.421 -4.475
680 1HB HIS 87 2HB HIS 87 0.292 -1.289 -1.605
681 2HB HIS 87 1HB HIS 87 0.450 -2.693 -2.653
682 HD1 HIS 87 HD1 HIS 87 3.067 -3.295 -3.264
683 HD2 HIS 87 HD2 HIS 87 2.370 -0.959 0.102
684 HE1 HIS 87 HE1 HIS 87 5.169 -3.451 -1.890
685 HE2 HIS 87 HE2 HIS 87 4.754 -1.962 0.100
686 H MET 88 H MET 88 -0.899 -1.454 -5.250
687 HA MET 88 HA MET 88 -2.691 0.699 -4.331
688 1HB MET 88 2HB MET 88 -1.781 1.118 -6.584
689 2HB MET 88 1HB MET 88 -2.445 -0.418 -7.127
690 1HG MET 88 2HG MET 88 -4.651 0.770 -6.092
691 2HG MET 88 1HG MET 88 -3.760 2.165 -6.696
692 1HE MET 88 1HE MET 88 -6.622 1.178 -9.339
693 2HE MET 88 2HE MET 88 -6.257 2.195 -7.944
694 3HE MET 88 3HE MET 88 -6.702 0.504 -7.711
695 H PHE 89 H PHE 89 -4.321 -0.132 -3.228
696 HA PHE 89 HA PHE 89 -5.549 -2.631 -4.194
697 1HB PHE 89 2HB PHE 89 -5.427 -1.583 -1.356
698 2HB PHE 89 1HB PHE 89 -6.255 -3.050 -1.865
699 HD1 PHE 89 HD1 PHE 89 -5.038 -5.055 -2.366
700 HD2 PHE 89 HD2 PHE 89 -2.992 -1.474 -1.316
701 HE1 PHE 89 HE1 PHE 89 -2.968 -6.340 -2.028
702 HE2 PHE 89 HE2 PHE 89 -0.917 -2.753 -0.979
703 HZ PHE 89 HZ PHE 89 -0.904 -5.189 -1.335
704 H SER 90 H SER 90 -7.588 -2.437 -4.892
705 HA SER 90 HA SER 90 -8.987 0.075 -4.388
706 1HB SER 90 2HB SER 90 -10.574 -1.407 -6.116
707 2HB SER 90 1HB SER 90 -9.411 -0.167 -6.582
708 HG SER 90 HG SER 90 -8.479 -1.747 -7.603
709 H PHE 91 H PHE 91 -10.679 0.259 -3.084
710 HA PHE 91 HA PHE 91 -11.889 -2.207 -2.017
711 1HB PHE 91 2HB PHE 91 -11.508 0.504 -0.735
712 2HB PHE 91 1HB PHE 91 -12.503 -0.770 -0.038
713 HD1 PHE 91 HD1 PHE 91 -9.053 0.115 -1.032
714 HD2 PHE 91 HD2 PHE 91 -11.544 -2.521 1.194
715 HE1 PHE 91 HE1 PHE 91 -7.065 -0.825 0.074
716 HE2 PHE 91 HE2 PHE 91 -9.562 -3.465 2.303
717 HZ PHE 91 HZ PHE 91 -7.319 -2.617 1.743
718 H ASN 92 H ASN 92 -14.127 -2.334 -1.827
719 HA ASN 92 HA ASN 92 -15.598 -0.314 -3.378
720 1HB ASN 92 2HB ASN 92 -16.546 -3.106 -2.756
721 2HB ASN 92 1HB ASN 92 -17.181 -1.987 -3.957
722 1HD2 ASN 92 1HD2 ASN 92 -14.853 -1.109 -5.127
723 2HD2 ASN 92 2HD2 ASN 92 -14.098 -2.423 -5.957
724 H ASN 93 H ASN 93 -14.891 -0.235 -0.484
725 HA ASN 93 HA ASN 93 -17.532 0.468 0.477
726 1HB ASN 93 2HB ASN 93 -16.559 -2.040 1.124
727 2HB ASN 93 1HB ASN 93 -16.114 -1.066 2.523
728 1HD2 ASN 93 1HD2 ASN 93 -17.575 -0.922 4.053
729 2HD2 ASN 93 2HD2 ASN 93 -19.279 -1.139 3.862
730 H ARG 94 H ARG 94 -17.158 2.525 0.998
731 HA ARG 94 HA ARG 94 -14.745 3.701 1.621
732 1HB ARG 94 2HB ARG 94 -17.489 4.538 2.566
733 2HB ARG 94 1HB ARG 94 -16.058 5.558 2.578
734 1HG ARG 94 2HG ARG 94 -16.170 4.707 -0.029
735 2HG ARG 94 1HG ARG 94 -17.870 4.902 0.399
736 1HD ARG 94 2HD ARG 94 -15.746 6.995 0.838
737 2HD ARG 94 1HD ARG 94 -16.826 6.949 -0.554
738 HE ARG 94 HE ARG 94 -17.467 7.805 2.116
739 1HH1 ARG 94 1HH1 ARG 94 -18.759 6.563 -0.878
740 2HH1 ARG 94 2HH1 ARG 94 -20.347 7.194 -0.599
741 1HH2 ARG 94 1HH2 ARG 94 -19.555 8.637 2.484
742 2HH2 ARG 94 2HH2 ARG 94 -20.799 8.372 1.310
743 H THR 95 H THR 95 -16.903 1.938 3.690
744 HA THR 95 HA THR 95 -15.752 2.780 6.143
745 HB THR 95 HB THR 95 -17.184 0.256 6.090
746 HG1 THR 95 HG1 THR 95 -18.899 0.849 5.039
747 1HG2 THR 95 1HG2 THR 95 -18.567 1.283 7.748
748 2HG2 THR 95 2HG2 THR 95 -17.882 2.864 7.372
749 3HG2 THR 95 3HG2 THR 95 -16.876 1.621 8.113
750 H VAL 96 H VAL 96 -15.704 -0.304 4.352
751 HA VAL 96 HA VAL 96 -13.934 -1.672 5.989
752 HB VAL 96 HB VAL 96 -14.113 -1.926 2.983
753 1HG1 VAL 96 1HG1 VAL 96 -12.847 -3.771 3.111
754 2HG1 VAL 96 2HG1 VAL 96 -13.619 -4.312 4.603
755 3HG1 VAL 96 3HG1 VAL 96 -12.322 -3.119 4.664
756 1HG2 VAL 96 1HG2 VAL 96 -16.065 -3.012 3.170
757 2HG2 VAL 96 2HG2 VAL 96 -16.192 -2.196 4.727
758 3HG2 VAL 96 3HG2 VAL 96 -15.572 -3.844 4.644
759 H MET 97 H MET 97 -13.218 0.368 3.168
760 HA MET 97 HA MET 97 -10.430 0.026 3.212
761 1HB MET 97 2HB MET 97 -10.428 2.278 2.012
762 2HB MET 97 1HB MET 97 -11.332 0.975 1.253
763 1HG MET 97 2HG MET 97 -13.143 2.232 1.231
764 2HG MET 97 1HG MET 97 -13.094 2.346 2.989
765 1HE MET 97 1HE MET 97 -10.344 5.018 0.594
766 2HE MET 97 2HE MET 97 -11.741 4.548 -0.374
767 3HE MET 97 3HE MET 97 -10.700 3.311 0.331
768 H ASP 98 H ASP 98 -12.586 2.164 4.960
769 HA ASP 98 HA ASP 98 -10.644 3.916 5.995
770 1HB ASP 98 2HB ASP 98 -13.117 4.317 6.022
771 2HB ASP 98 1HB ASP 98 -13.248 3.119 7.305
772 H ASN 99 H ASN 99 -11.762 0.775 7.005
773 HA ASN 99 HA ASN 99 -10.575 0.795 9.583
774 1HB ASN 99 2HB ASN 99 -11.406 -1.474 7.769
775 2HB ASN 99 1HB ASN 99 -10.771 -1.724 9.393
776 1HD2 ASN 99 1HD2 ASN 99 -13.423 -0.493 7.506
777 2HD2 ASN 99 2HD2 ASN 99 -14.565 -0.406 8.801
778 H ILE 100 H ILE 100 -9.456 -0.112 6.384
779 HA ILE 100 HA ILE 100 -7.027 -1.333 7.170
780 HB ILE 100 HB ILE 100 -7.629 0.081 4.568
781 1HG1 ILE 100 2HG1 ILE 100 -9.289 -1.690 5.196
782 2HG1 ILE 100 1HG1 ILE 100 -8.404 -2.026 3.714
783 1HG2 ILE 100 1HG2 ILE 100 -5.888 -1.265 3.610
784 2HG2 ILE 100 2HG2 ILE 100 -5.657 -2.127 5.131
785 3HG2 ILE 100 3HG2 ILE 100 -5.238 -0.417 5.015
786 1HD1 ILE 100 1HD1 ILE 100 -8.557 -4.047 4.943
787 2HD1 ILE 100 2HD1 ILE 100 -7.978 -3.259 6.418
788 3HD1 ILE 100 3HD1 ILE 100 -6.886 -3.485 5.051
789 H LYS 101 H LYS 101 -7.786 1.949 6.039
790 HA LYS 101 HA LYS 101 -5.161 2.940 6.288
791 1HB LYS 101 2HB LYS 101 -6.019 4.978 5.648
792 2HB LYS 101 1HB LYS 101 -7.274 3.904 5.055
793 1HG LYS 101 2HG LYS 101 -8.509 4.349 7.205
794 2HG LYS 101 1HG LYS 101 -7.327 5.621 7.516
795 1HD LYS 101 2HD LYS 101 -8.034 6.244 4.995
796 2HD LYS 101 1HD LYS 101 -9.537 5.515 5.561
797 1HE LYS 101 2HE LYS 101 -9.375 7.993 5.887
798 2HE LYS 101 1HE LYS 101 -9.708 7.072 7.353
799 1HZ LYS 101 1HZ LYS 101 -6.914 7.654 6.717
800 2HZ LYS 101 2HZ LYS 101 -7.678 7.544 8.222
801 3HZ LYS 101 3HZ LYS 101 -7.871 8.933 7.276
802 H MET 102 H MET 102 -7.720 2.474 8.559
803 HA MET 102 HA MET 102 -6.611 4.195 10.575
804 1HB MET 102 2HB MET 102 -8.732 4.056 11.272
805 2HB MET 102 1HB MET 102 -9.053 2.722 10.179
806 1HG MET 102 2HG MET 102 -8.433 1.120 11.800
807 2HG MET 102 1HG MET 102 -7.749 2.354 12.856
808 1HE MET 102 1HE MET 102 -11.447 1.812 11.070
809 2HE MET 102 2HE MET 102 -12.046 0.978 12.505
810 3HE MET 102 3HE MET 102 -10.613 0.377 11.670
811 H THR 103 H THR 103 -6.676 0.738 9.872
812 HA THR 103 HA THR 103 -5.255 -0.002 12.241
813 HB THR 103 HB THR 103 -6.546 -1.316 10.036
814 HG1 THR 103 HG1 THR 103 -7.250 -2.130 11.828
815 1HG2 THR 103 1HG2 THR 103 -4.351 -1.873 9.237
816 2HG2 THR 103 2HG2 THR 103 -5.142 -3.300 9.913
817 3HG2 THR 103 3HG2 THR 103 -3.896 -2.456 10.837
818 H LEU 104 H LEU 104 -4.358 0.628 8.884
819 HA LEU 104 HA LEU 104 -1.692 -0.228 9.055
820 1HB LEU 104 2HB LEU 104 -3.227 1.570 7.252
821 2HB LEU 104 1HB LEU 104 -1.476 1.656 7.188
822 HG LEU 104 HG LEU 104 -3.055 -0.886 6.802
823 1HD1 LEU 104 1HD1 LEU 104 -2.977 -0.602 4.519
824 2HD1 LEU 104 2HD1 LEU 104 -1.650 0.556 4.601
825 3HD1 LEU 104 3HD1 LEU 104 -3.279 1.048 5.067
826 1HD2 LEU 104 1HD2 LEU 104 -0.475 -0.663 7.537
827 2HD2 LEU 104 2HD2 LEU 104 -0.308 -0.578 5.783
828 3HD2 LEU 104 3HD2 LEU 104 -1.097 -1.969 6.527
829 H GLN 105 H GLN 105 -3.199 2.899 9.718
830 HA GLN 105 HA GLN 105 -0.831 4.349 10.147
831 1HB GLN 105 2HB GLN 105 -3.695 4.738 10.631
832 2HB GLN 105 1HB GLN 105 -2.667 5.565 11.792
833 1HG GLN 105 2HG GLN 105 -1.463 6.623 9.913
834 2HG GLN 105 1HG GLN 105 -2.597 5.862 8.799
835 1HE2 GLN 105 1HE2 GLN 105 -4.637 6.676 8.585
836 2HE2 GLN 105 2HE2 GLN 105 -5.153 8.154 9.314
837 H GLN 106 H GLN 106 -2.579 2.128 12.135
838 HA GLN 106 HA GLN 106 -1.468 2.915 14.634
839 1HB GLN 106 2HB GLN 106 -2.781 0.364 13.703
840 2HB GLN 106 1HB GLN 106 -2.226 0.604 15.355
841 1HG GLN 106 2HG GLN 106 -3.744 2.460 15.635
842 2HG GLN 106 1HG GLN 106 -4.246 2.338 13.950
843 1HE2 GLN 106 1HE2 GLN 106 -6.064 2.257 16.017
844 2HE2 GLN 106 2HE2 GLN 106 -6.755 0.676 16.109
845 H ILE 107 H ILE 107 -0.452 0.761 12.071
846 HA ILE 107 HA ILE 107 1.608 -0.512 13.602
847 HB ILE 107 HB ILE 107 1.258 -0.396 10.603
848 1HG1 ILE 107 2HG1 ILE 107 0.627 -2.871 12.073
849 2HG1 ILE 107 1HG1 ILE 107 -0.459 -1.526 12.405
850 1HG2 ILE 107 1HG2 ILE 107 3.521 -1.001 11.204
851 2HG2 ILE 107 2HG2 ILE 107 2.666 -2.422 10.603
852 3HG2 ILE 107 3HG2 ILE 107 2.927 -2.215 12.335
853 1HD1 ILE 107 1HD1 ILE 107 -1.429 -1.667 10.401
854 2HD1 ILE 107 2HD1 ILE 107 -0.720 -3.281 10.354
855 3HD1 ILE 107 3HD1 ILE 107 0.103 -1.933 9.566
856 H ILE 108 H ILE 108 1.572 2.049 11.135
857 HA ILE 108 HA ILE 108 4.331 2.475 10.974
858 HB ILE 108 HB ILE 108 2.457 4.809 10.903
859 1HG1 ILE 108 2HG1 ILE 108 2.796 3.157 8.439
860 2HG1 ILE 108 1HG1 ILE 108 1.606 2.656 9.632
861 1HG2 ILE 108 1HG2 ILE 108 3.935 5.640 9.227
862 2HG2 ILE 108 2HG2 ILE 108 4.769 4.091 9.116
863 3HG2 ILE 108 3HG2 ILE 108 4.909 5.066 10.580
864 1HD1 ILE 108 1HD1 ILE 108 0.321 3.965 8.287
865 2HD1 ILE 108 2HD1 ILE 108 1.649 5.061 7.901
866 3HD1 ILE 108 3HD1 ILE 108 0.856 5.155 9.474
867 H SER 109 H SER 109 1.975 4.325 12.785
868 HA SER 109 HA SER 109 3.687 5.862 14.313
869 1HB SER 109 2HB SER 109 1.171 6.066 14.203
870 2HB SER 109 1HB SER 109 1.084 4.722 15.343
871 HG SER 109 HG SER 109 1.455 7.296 15.868
872 H ARG 110 H ARG 110 2.839 2.519 14.648
873 HA ARG 110 HA ARG 110 3.693 2.112 17.301
874 1HB ARG 110 2HB ARG 110 2.724 0.519 15.146
875 2HB ARG 110 1HB ARG 110 4.188 -0.235 15.760
876 1HG ARG 110 2HG ARG 110 3.051 0.142 18.083
877 2HG ARG 110 1HG ARG 110 1.579 0.223 17.114
878 1HD ARG 110 2HD ARG 110 1.551 -2.007 17.279
879 2HD ARG 110 1HD ARG 110 2.848 -1.979 16.086
880 HE ARG 110 HE ARG 110 3.943 -1.690 18.661
881 1HH1 ARG 110 1HH1 ARG 110 2.395 -4.084 16.648
882 2HH1 ARG 110 2HH1 ARG 110 3.186 -5.421 17.413
883 1HH2 ARG 110 1HH2 ARG 110 4.983 -3.447 19.668
884 2HH2 ARG 110 2HH2 ARG 110 4.655 -5.060 19.130
885 H TYR 111 H TYR 111 5.339 1.990 14.217
886 HA TYR 111 HA TYR 111 7.861 1.233 15.423
887 1HB TYR 111 2HB TYR 111 7.020 1.880 12.599
888 2HB TYR 111 1HB TYR 111 8.707 1.619 13.036
889 HD1 TYR 111 HD1 TYR 111 5.519 0.054 12.344
890 HD2 TYR 111 HD2 TYR 111 9.419 -0.608 13.904
891 HE1 TYR 111 HE1 TYR 111 5.196 -2.371 12.103
892 HE2 TYR 111 HE2 TYR 111 9.110 -3.036 13.664
893 HH TYR 111 HH TYR 111 7.044 -4.630 13.591
894 H LYS 112 H LYS 112 6.227 4.105 14.339
895 HA LYS 112 HA LYS 112 8.428 5.849 14.162
896 1HB LYS 112 2HB LYS 112 5.558 6.448 14.903
897 2HB LYS 112 1HB LYS 112 6.758 7.646 14.434
898 1HG LYS 112 2HG LYS 112 6.849 5.869 12.351
899 2HG LYS 112 1HG LYS 112 5.139 5.871 12.789
900 1HD LYS 112 2HD LYS 112 5.498 8.476 12.841
901 2HD LYS 112 1HD LYS 112 6.846 8.087 11.769
902 1HE LYS 112 2HE LYS 112 4.224 6.842 11.171
903 2HE LYS 112 1HE LYS 112 4.381 8.572 10.872
904 1HZ LYS 112 1HZ LYS 112 4.947 7.331 8.903
905 2HZ LYS 112 2HZ LYS 112 6.108 6.436 9.744
906 3HZ LYS 112 3HZ LYS 112 6.335 8.093 9.500
907 H ASP 113 H ASP 113 6.281 5.000 16.842
908 HA ASP 113 HA ASP 113 7.256 6.794 18.746
909 1HB ASP 113 2HB ASP 113 5.197 5.456 19.025
910 2HB ASP 113 1HB ASP 113 6.175 4.005 19.210
911 H ALA 114 H ALA 114 8.434 3.635 17.746
912 HA ALA 114 HA ALA 114 10.291 3.228 19.818
913 1HB ALA 114 1HB ALA 114 10.865 1.357 18.698
914 2HB ALA 114 2HB ALA 114 11.015 2.198 17.155
915 3HB ALA 114 3HB ALA 114 9.423 1.730 17.753
916 H ASP 115 H ASP 115 10.452 5.065 16.840
917 HA ASP 115 HA ASP 115 13.057 6.114 17.695
918 1HB ASP 115 2HB ASP 115 12.325 5.220 14.900
919 2HB ASP 115 1HB ASP 115 13.754 6.174 15.287
920 H LEU 45 1H LEU 45 -5.425 3.724 -16.342
921 HA LEU 45 HA LEU 45 -5.359 2.302 -18.388
922 1HB LEU 45 2HB LEU 45 -5.138 5.095 -19.485
923 2HB LEU 45 1HB LEU 45 -4.433 3.727 -20.327
924 HG LEU 45 HG LEU 45 -6.773 2.690 -20.261
925 1HD1 LEU 45 1HD1 LEU 45 -7.280 5.371 -19.130
926 2HD1 LEU 45 2HD1 LEU 45 -8.127 3.846 -18.870
927 3HD1 LEU 45 3HD1 LEU 45 -8.431 4.785 -20.330
928 1HD2 LEU 45 1HD2 LEU 45 -6.218 3.278 -22.382
929 2HD2 LEU 45 2HD2 LEU 45 -5.796 4.930 -21.934
930 3HD2 LEU 45 3HD2 LEU 45 -7.489 4.470 -22.110
931 H SER 46 H SER 46 -3.660 5.101 -17.115
932 HA SER 46 HA SER 46 -1.178 3.518 -17.127
933 1HB SER 46 2HB SER 46 -1.492 5.705 -18.681
934 2HB SER 46 1HB SER 46 -0.911 6.467 -17.201
935 HG SER 46 HG SER 46 0.704 5.700 -18.811
936 HA PRO 47 HA PRO 47 -0.700 4.068 -12.792
937 1HB PRO 47 2HB PRO 47 1.939 5.334 -13.359
938 2HB PRO 47 1HB PRO 47 1.544 3.991 -12.279
939 1HG PRO 47 2HG PRO 47 2.719 3.536 -14.622
940 2HG PRO 47 1HG PRO 47 1.458 2.449 -14.012
941 1HD PRO 47 2HD PRO 47 1.300 4.527 -16.148
942 2HD PRO 47 1HD PRO 47 0.489 2.952 -16.042
943 H ASP 48 H ASP 48 0.398 6.820 -14.747
944 HA ASP 48 HA ASP 48 0.298 8.793 -12.781
945 1HB ASP 48 2HB ASP 48 -0.177 8.978 -15.761
946 2HB ASP 48 1HB ASP 48 -0.020 10.380 -14.707
947 H ASP 49 H ASP 49 -2.248 7.224 -14.533
948 HA ASP 49 HA ASP 49 -4.247 9.188 -13.969
949 1HB ASP 49 2HB ASP 49 -4.175 7.420 -15.881
950 2HB ASP 49 1HB ASP 49 -4.869 6.341 -14.673
951 H ILE 50 H ILE 50 -3.348 6.042 -12.622
952 HA ILE 50 HA ILE 50 -5.462 5.950 -10.734
953 HB ILE 50 HB ILE 50 -2.833 4.488 -10.571
954 1HG1 ILE 50 2HG1 ILE 50 -3.872 4.127 -12.764
955 2HG1 ILE 50 1HG1 ILE 50 -3.952 2.666 -11.785
956 1HG2 ILE 50 1HG2 ILE 50 -5.311 3.216 -9.653
957 2HG2 ILE 50 2HG2 ILE 50 -4.809 4.623 -8.717
958 3HG2 ILE 50 3HG2 ILE 50 -3.711 3.256 -8.911
959 1HD1 ILE 50 1HD1 ILE 50 -6.077 2.658 -12.520
960 2HD1 ILE 50 2HD1 ILE 50 -6.110 4.402 -12.783
961 3HD1 ILE 50 3HD1 ILE 50 -6.317 3.752 -11.157
962 H GLU 51 H GLU 51 -2.238 7.251 -10.674
963 HA GLU 51 HA GLU 51 -2.113 7.598 -7.843
964 1HB GLU 51 2HB GLU 51 -0.096 8.835 -8.230
965 2HB GLU 51 1HB GLU 51 -0.110 7.462 -9.328
966 1HG GLU 51 2HG GLU 51 -0.821 8.911 -11.149
967 2HG GLU 51 1HG GLU 51 -0.836 10.291 -10.052
968 H GLN 52 H GLN 52 -3.365 9.467 -10.495
969 HA GLN 52 HA GLN 52 -3.476 11.977 -9.200
970 1HB GLN 52 2HB GLN 52 -4.656 10.766 -11.629
971 2HB GLN 52 1HB GLN 52 -5.515 12.146 -10.958
972 1HG GLN 52 2HG GLN 52 -3.402 13.435 -11.031
973 2HG GLN 52 1HG GLN 52 -2.641 12.065 -11.837
974 1HE2 GLN 52 1HE2 GLN 52 -2.983 11.737 -13.975
975 2HE2 GLN 52 2HE2 GLN 52 -3.913 12.791 -14.979
976 H TRP 53 H TRP 53 -5.429 9.133 -8.972
977 HA TRP 53 HA TRP 53 -7.881 10.110 -8.171
978 1HB TRP 53 2HB TRP 53 -6.359 7.665 -7.267
979 2HB TRP 53 1HB TRP 53 -8.016 7.992 -6.768
980 HD1 TRP 53 HD1 TRP 53 -6.898 8.740 -10.346
981 HE1 TRP 53 HE1 TRP 53 -8.125 7.139 -11.944
982 HE3 TRP 53 HE3 TRP 53 -9.113 5.688 -6.895
983 HZ2 TRP 53 HZ2 TRP 53 -9.810 4.882 -11.766
984 HZ3 TRP 53 HZ3 TRP 53 -10.517 3.830 -7.692
985 HH2 TRP 53 HH2 TRP 53 -10.857 3.437 -10.078
986 H PHE 54 H PHE 54 -4.868 10.035 -6.420
987 HA PHE 54 HA PHE 54 -6.178 10.877 -3.948
988 1HB PHE 54 2HB PHE 54 -3.278 10.226 -4.509
989 2HB PHE 54 1HB PHE 54 -3.946 10.620 -2.929
990 HD1 PHE 54 HD1 PHE 54 -3.644 8.082 -5.521
991 HD2 PHE 54 HD2 PHE 54 -5.384 9.045 -1.759
992 HE1 PHE 54 HE1 PHE 54 -4.168 5.705 -5.158
993 HE2 PHE 54 HE2 PHE 54 -5.910 6.670 -1.389
994 HZ PHE 54 HZ PHE 54 -5.302 4.995 -3.091
995 H THR 55 H THR 55 -4.298 12.140 -6.580
996 HA THR 55 HA THR 55 -3.515 14.541 -5.221
997 HB THR 55 HB THR 55 -3.045 13.297 -7.796
998 HG1 THR 55 HG1 THR 55 -1.088 13.767 -7.225
999 1HG2 THR 55 1HG2 THR 55 -2.348 15.494 -8.849
1000 2HG2 THR 55 2HG2 THR 55 -3.457 16.255 -7.707
1001 3HG2 THR 55 3HG2 THR 55 -4.065 15.091 -8.884
1002 H GLU 56 H GLU 56 -6.193 13.502 -7.185
1003 HA GLU 56 HA GLU 56 -7.180 16.164 -7.672
1004 1HB GLU 56 2HB GLU 56 -9.080 15.071 -8.705
1005 2HB GLU 56 1HB GLU 56 -7.595 14.303 -9.248
1006 1HG GLU 56 2HG GLU 56 -7.971 12.514 -7.573
1007 2HG GLU 56 1HG GLU 56 -9.521 13.259 -7.185
1008 H ASP 57 H ASP 57 -8.604 17.305 -6.499
1009 HA ASP 57 HA ASP 57 -9.952 15.958 -4.255
1010 1HB ASP 57 2HB ASP 57 -8.316 18.473 -4.240
1011 2HB ASP 57 1HB ASP 57 -9.633 18.276 -3.086
1012 HA PRO 58 HA PRO 58 -13.049 18.031 -7.080
1013 1HB PRO 58 2HB PRO 58 -14.647 15.940 -5.678
1014 2HB PRO 58 1HB PRO 58 -14.658 16.411 -7.382
1015 1HG PRO 58 2HG PRO 58 -13.461 14.166 -6.606
1016 2HG PRO 58 1HG PRO 58 -12.749 15.185 -7.869
1017 1HD PRO 58 2HD PRO 58 -11.951 14.870 -5.011
1018 2HD PRO 58 1HD PRO 58 -10.938 15.133 -6.446
Start of MODEL 12
1 HT1 PRO 1 HT2 PRO 1 -13.596 -6.466 11.815
2 HT2 PRO 1 HT1 PRO 1 -13.268 -4.876 12.341
3 HA PRO 1 HA PRO 1 -12.246 -6.293 10.176
4 1HB PRO 1 2HB PRO 1 -12.733 -3.860 8.892
5 2HB PRO 1 1HB PRO 1 -13.493 -5.412 8.519
6 1HG PRO 1 2HG PRO 1 -14.519 -3.146 10.151
7 2HG PRO 1 1HG PRO 1 -15.408 -4.291 9.133
8 1HD PRO 1 2HD PRO 1 -15.414 -4.442 11.841
9 2HD PRO 1 1HD PRO 1 -15.522 -5.883 10.810
10 H SER 2 H SER 2 -11.378 -5.354 12.685
11 HA SER 2 HA SER 2 -9.936 -2.893 12.385
12 1HB SER 2 2HB SER 2 -9.079 -3.319 14.585
13 2HB SER 2 1HB SER 2 -10.774 -3.810 14.578
14 HG SER 2 HG SER 2 -10.138 -5.940 14.450
15 H HIS 3 H HIS 3 -9.386 -6.055 11.324
16 HA HIS 3 HA HIS 3 -6.697 -5.356 10.504
17 1HB HIS 3 2HB HIS 3 -7.250 -7.695 12.336
18 2HB HIS 3 1HB HIS 3 -5.759 -7.495 11.421
19 HD1 HIS 3 HD1 HIS 3 -7.757 -5.753 14.119
20 HD2 HIS 3 HD2 HIS 3 -3.896 -5.875 12.594
21 HE1 HIS 3 HE1 HIS 3 -6.386 -4.319 15.658
22 HE2 HIS 3 HE2 HIS 3 -4.063 -4.353 14.682
23 H SER 4 H SER 4 -9.133 -5.772 9.137
24 HA SER 4 HA SER 4 -8.273 -7.422 7.044
25 1HB SER 4 2HB SER 4 -10.177 -9.116 7.195
26 2HB SER 4 1HB SER 4 -8.824 -9.350 8.307
27 HG SER 4 HG SER 4 -11.447 -8.578 8.827
28 H GLY 5 H GLY 5 -9.304 -6.854 5.220
29 1HA GLY 5 2HA GLY 5 -12.034 -5.956 5.233
30 2HA GLY 5 1HA GLY 5 -10.883 -4.650 4.993
31 H ALA 6 H ALA 6 -12.846 -6.726 3.468
32 HA ALA 6 HA ALA 6 -11.584 -7.883 1.382
33 1HB ALA 6 1HB ALA 6 -13.898 -8.174 1.611
34 2HB ALA 6 2HB ALA 6 -13.651 -7.405 0.040
35 3HB ALA 6 3HB ALA 6 -14.211 -6.449 1.414
36 H ALA 7 H ALA 7 -9.939 -7.083 0.287
37 HA ALA 7 HA ALA 7 -10.220 -4.396 -0.914
38 1HB ALA 7 1HB ALA 7 -7.569 -5.674 -0.358
39 2HB ALA 7 2HB ALA 7 -8.433 -4.801 0.910
40 3HB ALA 7 3HB ALA 7 -7.958 -3.966 -0.569
41 H ILE 8 H ILE 8 -9.352 -4.064 -3.018
42 HA ILE 8 HA ILE 8 -9.231 -6.526 -4.610
43 HB ILE 8 HB ILE 8 -10.041 -3.731 -5.240
44 1HG1 ILE 8 2HG1 ILE 8 -11.351 -5.705 -6.795
45 2HG1 ILE 8 1HG1 ILE 8 -11.193 -6.348 -5.166
46 1HG2 ILE 8 1HG2 ILE 8 -8.278 -4.014 -6.849
47 2HG2 ILE 8 2HG2 ILE 8 -9.839 -4.141 -7.656
48 3HG2 ILE 8 3HG2 ILE 8 -8.908 -5.595 -7.309
49 1HD1 ILE 8 1HD1 ILE 8 -13.255 -5.251 -5.262
50 2HD1 ILE 8 2HD1 ILE 8 -12.548 -3.827 -6.029
51 3HD1 ILE 8 3HD1 ILE 8 -12.178 -4.200 -4.344
52 H PHE 9 H PHE 9 -7.382 -7.221 -5.375
53 HA PHE 9 HA PHE 9 -5.101 -5.338 -5.394
54 1HB PHE 9 2HB PHE 9 -4.942 -7.284 -3.815
55 2HB PHE 9 1HB PHE 9 -4.943 -8.346 -5.217
56 HD1 PHE 9 HD1 PHE 9 -2.875 -9.184 -5.720
57 HD2 PHE 9 HD2 PHE 9 -3.181 -5.196 -4.268
58 HE1 PHE 9 HE1 PHE 9 -0.438 -8.929 -5.919
59 HE2 PHE 9 HE2 PHE 9 -0.743 -4.932 -4.465
60 HZ PHE 9 HZ PHE 9 0.632 -6.800 -5.291
61 H GLU 10 H GLU 10 -4.083 -4.924 -7.250
62 HA GLU 10 HA GLU 10 -3.639 -4.885 -9.483
63 1HB GLU 10 2HB GLU 10 -3.956 -7.877 -9.241
64 2HB GLU 10 1HB GLU 10 -3.130 -7.024 -10.538
65 1HG GLU 10 2HG GLU 10 -1.496 -6.176 -8.916
66 2HG GLU 10 1HG GLU 10 -2.310 -7.085 -7.645
67 H LYS 11 H LYS 11 -6.378 -4.546 -8.692
68 HA LYS 11 HA LYS 11 -8.352 -4.187 -9.783
69 1HB LYS 11 2HB LYS 11 -7.292 -5.743 -12.142
70 2HB LYS 11 1HB LYS 11 -8.601 -4.571 -12.122
71 1HG LYS 11 2HG LYS 11 -6.994 -2.790 -11.629
72 2HG LYS 11 1HG LYS 11 -5.684 -3.971 -11.680
73 1HD LYS 11 2HD LYS 11 -5.717 -2.902 -13.798
74 2HD LYS 11 1HD LYS 11 -6.414 -4.507 -14.034
75 1HE LYS 11 2HE LYS 11 -8.637 -3.085 -13.461
76 2HE LYS 11 1HE LYS 11 -7.659 -1.844 -14.246
77 1HZ LYS 11 1HZ LYS 11 -8.764 -2.801 -16.005
78 2HZ LYS 11 2HZ LYS 11 -8.696 -4.363 -15.361
79 3HZ LYS 11 3HZ LYS 11 -7.307 -3.661 -16.024
80 H VAL 12 H VAL 12 -7.097 -7.001 -8.752
81 HA VAL 12 HA VAL 12 -9.416 -8.625 -9.474
82 HB VAL 12 HB VAL 12 -6.749 -9.357 -8.270
83 1HG1 VAL 12 1HG1 VAL 12 -7.609 -11.708 -8.272
84 2HG1 VAL 12 2HG1 VAL 12 -9.228 -11.059 -8.530
85 3HG1 VAL 12 3HG1 VAL 12 -8.348 -10.670 -7.054
86 1HG2 VAL 12 1HG2 VAL 12 -8.211 -10.055 -10.791
87 2HG2 VAL 12 2HG2 VAL 12 -6.732 -10.863 -10.264
88 3HG2 VAL 12 3HG2 VAL 12 -6.710 -9.135 -10.636
89 H SER 13 H SER 13 -10.548 -9.739 -7.823
90 HA SER 13 HA SER 13 -10.714 -8.069 -5.429
91 1HB SER 13 2HB SER 13 -12.895 -9.078 -5.062
92 2HB SER 13 1HB SER 13 -12.763 -8.398 -6.681
93 HG SER 13 HG SER 13 -13.715 -10.559 -6.530
94 H GLY 14 H GLY 14 -10.808 -8.840 -3.372
95 1HA GLY 14 2HA GLY 14 -10.644 -11.472 -2.490
96 2HA GLY 14 1HA GLY 14 -8.994 -10.892 -2.711
97 H ILE 15 H ILE 15 -9.387 -11.453 -0.197
98 HA ILE 15 HA ILE 15 -10.274 -8.960 1.056
99 HB ILE 15 HB ILE 15 -10.033 -11.712 2.264
100 1HG1 ILE 15 2HG1 ILE 15 -12.269 -11.878 2.041
101 2HG1 ILE 15 1HG1 ILE 15 -12.518 -10.264 2.689
102 1HG2 ILE 15 1HG2 ILE 15 -10.844 -10.664 4.365
103 2HG2 ILE 15 2HG2 ILE 15 -10.628 -9.080 3.617
104 3HG2 ILE 15 3HG2 ILE 15 -9.226 -10.124 3.903
105 1HD1 ILE 15 1HD1 ILE 15 -12.006 -11.019 -0.171
106 2HD1 ILE 15 2HD1 ILE 15 -12.036 -9.360 0.427
107 3HD1 ILE 15 3HD1 ILE 15 -13.482 -10.357 0.529
108 H ILE 16 H ILE 16 -9.017 -7.859 2.445
109 HA ILE 16 HA ILE 16 -6.173 -8.590 2.393
110 HB ILE 16 HB ILE 16 -7.575 -6.090 1.989
111 1HG1 ILE 16 2HG1 ILE 16 -4.642 -6.806 1.855
112 2HG1 ILE 16 1HG1 ILE 16 -5.802 -6.955 0.539
113 1HG2 ILE 16 1HG2 ILE 16 -6.200 -4.610 3.334
114 2HG2 ILE 16 2HG2 ILE 16 -5.482 -6.005 4.144
115 3HG2 ILE 16 3HG2 ILE 16 -7.200 -5.658 4.336
116 1HD1 ILE 16 1HD1 ILE 16 -4.164 -4.825 0.964
117 2HD1 ILE 16 2HD1 ILE 16 -5.674 -4.279 1.696
118 3HD1 ILE 16 3HD1 ILE 16 -5.647 -4.796 0.008
119 H ALA 17 H ALA 17 -5.433 -9.412 4.226
120 HA ALA 17 HA ALA 17 -6.770 -8.637 6.731
121 1HB ALA 17 1HB ALA 17 -7.144 -10.989 5.954
122 2HB ALA 17 2HB ALA 17 -6.464 -10.829 7.578
123 3HB ALA 17 3HB ALA 17 -5.422 -11.276 6.224
124 H ILE 18 H ILE 18 -5.595 -7.761 8.265
125 HA ILE 18 HA ILE 18 -2.690 -7.630 7.902
126 HB ILE 18 HB ILE 18 -4.652 -5.867 9.352
127 1HG1 ILE 18 2HG1 ILE 18 -2.655 -5.344 7.142
128 2HG1 ILE 18 1HG1 ILE 18 -4.393 -5.532 6.937
129 1HG2 ILE 18 1HG2 ILE 18 -3.084 -5.418 10.864
130 2HG2 ILE 18 2HG2 ILE 18 -2.229 -4.585 9.565
131 3HG2 ILE 18 3HG2 ILE 18 -1.832 -6.260 9.951
132 1HD1 ILE 18 1HD1 ILE 18 -4.832 -3.505 8.073
133 2HD1 ILE 18 2HD1 ILE 18 -3.543 -3.181 6.914
134 3HD1 ILE 18 3HD1 ILE 18 -3.162 -3.378 8.624
135 H ASN 19 H ASN 19 -1.278 -8.273 9.472
136 HA ASN 19 HA ASN 19 -2.405 -9.358 11.960
137 1HB ASN 19 2HB ASN 19 -1.916 -11.159 10.244
138 2HB ASN 19 1HB ASN 19 -0.214 -10.734 10.403
139 1HD2 ASN 19 1HD2 ASN 19 -0.617 -13.205 10.943
140 2HD2 ASN 19 2HD2 ASN 19 -0.670 -13.541 12.637
141 H GLU 20 H GLU 20 -1.574 -8.168 13.544
142 HA GLU 20 HA GLU 20 1.106 -7.052 13.272
143 1HB GLU 20 2HB GLU 20 -1.011 -6.597 15.381
144 2HB GLU 20 1HB GLU 20 0.532 -5.757 15.298
145 1HG GLU 20 2HG GLU 20 -0.114 -4.845 13.104
146 2HG GLU 20 1HG GLU 20 -1.682 -5.636 13.262
147 H ASP 21 H ASP 21 0.008 -9.924 14.219
148 HA ASP 21 HA ASP 21 1.362 -10.221 16.738
149 1HB ASP 21 2HB ASP 21 -0.658 -11.556 16.053
150 2HB ASP 21 1HB ASP 21 0.361 -12.384 14.880
151 H VAL 22 H VAL 22 2.228 -10.292 13.443
152 HA VAL 22 HA VAL 22 4.647 -11.849 13.969
153 HB VAL 22 HB VAL 22 4.815 -11.322 11.337
154 1HG1 VAL 22 1HG1 VAL 22 3.818 -13.554 10.963
155 2HG1 VAL 22 2HG1 VAL 22 3.238 -13.536 12.630
156 3HG1 VAL 22 3HG1 VAL 22 4.971 -13.523 12.297
157 1HG2 VAL 22 1HG2 VAL 22 1.854 -11.628 11.756
158 2HG2 VAL 22 2HG2 VAL 22 2.716 -11.356 10.241
159 3HG2 VAL 22 3HG2 VAL 22 2.631 -10.073 11.450
160 H SER 23 H SER 23 6.677 -10.994 13.752
161 HA SER 23 HA SER 23 6.808 -8.081 13.368
162 1HB SER 23 2HB SER 23 7.520 -8.402 15.557
163 2HB SER 23 1HB SER 23 8.306 -9.936 15.184
164 HG SER 23 HG SER 23 9.970 -8.829 14.210
165 HA PRO 24 HA PRO 24 7.405 -6.634 12.347
166 1HB PRO 24 2HB PRO 24 7.527 -5.799 9.630
167 2HB PRO 24 1HB PRO 24 8.506 -5.224 10.978
168 1HG PRO 24 2HG PRO 24 9.434 -6.689 8.798
169 2HG PRO 24 1HG PRO 24 10.291 -6.451 10.330
170 1HD PRO 24 2HD PRO 24 8.729 -8.797 9.373
171 2HD PRO 24 1HD PRO 24 10.159 -8.741 10.424
172 H ALA 25 H ALA 25 5.262 -6.135 12.168
173 HA ALA 25 HA ALA 25 3.401 -7.967 11.323
174 1HB ALA 25 1HB ALA 25 2.805 -6.135 12.777
175 2HB ALA 25 2HB ALA 25 1.755 -6.124 11.361
176 3HB ALA 25 3HB ALA 25 3.085 -4.971 11.483
177 H GLU 26 H GLU 26 2.204 -8.335 9.474
178 HA GLU 26 HA GLU 26 2.888 -6.756 7.097
179 1HB GLU 26 2HB GLU 26 2.788 -9.774 7.130
180 2HB GLU 26 1HB GLU 26 3.185 -8.750 5.758
181 1HG GLU 26 2HG GLU 26 5.164 -7.933 7.045
182 2HG GLU 26 1HG GLU 26 4.798 -9.156 8.260
183 H LEU 27 H LEU 27 1.430 -7.274 5.238
184 HA LEU 27 HA LEU 27 -1.298 -7.883 6.177
185 1HB LEU 27 2HB LEU 27 -1.183 -5.532 5.752
186 2HB LEU 27 1HB LEU 27 -0.344 -5.784 4.233
187 HG LEU 27 HG LEU 27 -3.112 -6.867 4.579
188 1HD1 LEU 27 1HD1 LEU 27 -2.319 -4.016 4.356
189 2HD1 LEU 27 2HD1 LEU 27 -3.710 -4.747 5.155
190 3HD1 LEU 27 3HD1 LEU 27 -3.694 -4.572 3.401
191 1HD2 LEU 27 1HD2 LEU 27 -1.214 -6.330 2.401
192 2HD2 LEU 27 2HD2 LEU 27 -2.889 -5.890 2.065
193 3HD2 LEU 27 3HD2 LEU 27 -2.489 -7.543 2.527
194 H THR 28 H THR 28 -2.319 -9.472 5.100
195 HA THR 28 HA THR 28 -1.108 -10.380 2.572
196 HB THR 28 HB THR 28 -2.558 -12.045 4.634
197 HG1 THR 28 HG1 THR 28 -0.694 -12.092 5.558
198 1HG2 THR 28 1HG2 THR 28 -1.533 -12.644 1.940
199 2HG2 THR 28 2HG2 THR 28 -2.833 -13.401 2.862
200 3HG2 THR 28 3HG2 THR 28 -1.152 -13.812 3.205
201 H TRP 29 H TRP 29 -2.323 -10.389 0.825
202 HA TRP 29 HA TRP 29 -5.191 -9.903 1.060
203 1HB TRP 29 2HB TRP 29 -3.974 -8.295 -0.302
204 2HB TRP 29 1HB TRP 29 -3.272 -9.594 -1.262
205 HD1 TRP 29 HD1 TRP 29 -6.764 -8.173 -0.468
206 HE1 TRP 29 HE1 TRP 29 -8.238 -8.417 -2.567
207 HE3 TRP 29 HE3 TRP 29 -3.461 -10.656 -3.453
208 HZ2 TRP 29 HZ2 TRP 29 -8.014 -9.544 -5.156
209 HZ3 TRP 29 HZ3 TRP 29 -4.165 -11.290 -5.725
210 HH2 TRP 29 HH2 TRP 29 -6.391 -10.747 -6.555
211 H ARG 30 H ARG 30 -6.626 -11.432 0.496
212 HA ARG 30 HA ARG 30 -5.631 -13.757 -1.020
213 1HB ARG 30 2HB ARG 30 -5.935 -14.342 1.346
214 2HB ARG 30 1HB ARG 30 -7.606 -13.797 1.268
215 1HG ARG 30 2HG ARG 30 -8.311 -15.686 0.289
216 2HG ARG 30 1HG ARG 30 -6.884 -15.807 -0.741
217 1HD ARG 30 2HD ARG 30 -5.589 -16.678 1.120
218 2HD ARG 30 1HD ARG 30 -6.976 -16.499 2.194
219 HE ARG 30 HE ARG 30 -7.864 -18.102 0.164
220 1HH1 ARG 30 1HH1 ARG 30 -5.243 -18.243 2.463
221 2HH1 ARG 30 2HH1 ARG 30 -5.222 -19.974 2.521
222 1HH2 ARG 30 1HH2 ARG 30 -7.838 -20.378 0.239
223 2HH2 ARG 30 2HH2 ARG 30 -6.694 -21.186 1.259
224 H SER 31 H SER 31 -6.589 -13.872 -2.928
225 HA SER 31 HA SER 31 -8.648 -12.369 -3.892
226 1HB SER 31 2HB SER 31 -8.198 -15.243 -4.714
227 2HB SER 31 1HB SER 31 -8.851 -13.934 -5.701
228 HG SER 31 HG SER 31 -6.862 -13.013 -5.805
229 H THR 32 H THR 32 -10.872 -13.046 -4.555
230 HA THR 32 HA THR 32 -12.345 -13.882 -2.271
231 HB THR 32 HB THR 32 -13.920 -13.932 -4.679
232 HG1 THR 32 HG1 THR 32 -12.350 -11.598 -4.340
233 1HG2 THR 32 1HG2 THR 32 -15.101 -12.096 -3.685
234 2HG2 THR 32 2HG2 THR 32 -13.791 -11.829 -2.537
235 3HG2 THR 32 3HG2 THR 32 -14.753 -13.305 -2.450
236 H ASP 33 H ASP 33 -11.515 -15.254 -5.363
237 HA ASP 33 HA ASP 33 -12.899 -17.705 -4.843
238 1HB ASP 33 2HB ASP 33 -12.740 -16.755 -7.134
239 2HB ASP 33 1HB ASP 33 -11.004 -17.046 -7.097
240 H GLY 34 H GLY 34 -9.774 -16.422 -4.306
241 1HA GLY 34 2HA GLY 34 -8.106 -17.373 -2.977
242 2HA GLY 34 1HA GLY 34 -8.934 -18.920 -3.087
243 H ASP 35 H ASP 35 -8.055 -16.917 -5.837
244 HA ASP 35 HA ASP 35 -6.353 -19.102 -6.787
245 1HB ASP 35 2HB ASP 35 -8.222 -18.367 -8.240
246 2HB ASP 35 1HB ASP 35 -7.488 -16.768 -8.335
247 H LYS 36 H LYS 36 -6.207 -15.857 -5.664
248 HA LYS 36 HA LYS 36 -3.330 -15.828 -6.241
249 1HB LYS 36 2HB LYS 36 -5.332 -13.972 -7.238
250 2HB LYS 36 1HB LYS 36 -4.073 -13.153 -6.325
251 1HG LYS 36 2HG LYS 36 -2.752 -13.240 -8.089
252 2HG LYS 36 1HG LYS 36 -2.780 -15.002 -8.010
253 1HD LYS 36 2HD LYS 36 -4.102 -15.155 -9.803
254 2HD LYS 36 1HD LYS 36 -5.200 -13.913 -9.196
255 1HE LYS 36 2HE LYS 36 -3.419 -12.233 -9.909
256 2HE LYS 36 1HE LYS 36 -2.686 -13.563 -10.804
257 1HZ LYS 36 1HZ LYS 36 -4.359 -13.595 -12.311
258 2HZ LYS 36 2HZ LYS 36 -4.464 -11.962 -11.882
259 3HZ LYS 36 3HZ LYS 36 -5.538 -13.083 -11.210
260 H VAL 37 H VAL 37 -2.038 -14.876 -4.704
261 HA VAL 37 HA VAL 37 -3.322 -13.687 -2.357
262 HB VAL 37 HB VAL 37 -2.976 -16.102 -1.879
263 1HG1 VAL 37 1HG1 VAL 37 -0.953 -16.402 -3.256
264 2HG1 VAL 37 2HG1 VAL 37 -0.746 -16.994 -1.608
265 3HG1 VAL 37 3HG1 VAL 37 -0.040 -15.449 -2.086
266 1HG2 VAL 37 1HG2 VAL 37 -3.058 -14.949 0.087
267 2HG2 VAL 37 2HG2 VAL 37 -1.685 -13.923 -0.328
268 3HG2 VAL 37 3HG2 VAL 37 -1.417 -15.585 0.196
269 H HIS 38 H HIS 38 -2.171 -12.053 -1.432
270 HA HIS 38 HA HIS 38 0.589 -11.627 -2.353
271 1HB HIS 38 2HB HIS 38 -1.308 -10.190 -3.479
272 2HB HIS 38 1HB HIS 38 -1.214 -9.274 -1.979
273 HD1 HIS 38 HD1 HIS 38 1.153 -10.467 -4.710
274 HD2 HIS 38 HD2 HIS 38 0.669 -7.333 -2.025
275 HE1 HIS 38 HE1 HIS 38 2.995 -8.839 -5.237
276 HE2 HIS 38 HE2 HIS 38 2.735 -6.993 -3.544
277 H THR 39 H THR 39 1.971 -10.631 -0.906
278 HA THR 39 HA THR 39 0.888 -10.086 1.776
279 HB THR 39 HB THR 39 3.475 -11.536 1.183
280 HG1 THR 39 HG1 THR 39 2.372 -13.301 1.342
281 1HG2 THR 39 1HG2 THR 39 3.961 -10.690 3.223
282 2HG2 THR 39 2HG2 THR 39 3.031 -12.100 3.730
283 3HG2 THR 39 3HG2 THR 39 2.268 -10.510 3.680
284 H VAL 40 H VAL 40 1.633 -8.280 2.765
285 HA VAL 40 HA VAL 40 3.915 -6.884 1.537
286 HB VAL 40 HB VAL 40 1.344 -5.588 2.451
287 1HG1 VAL 40 1HG1 VAL 40 2.709 -3.871 2.960
288 2HG1 VAL 40 2HG1 VAL 40 2.775 -3.632 1.212
289 3HG1 VAL 40 3HG1 VAL 40 4.055 -4.535 2.028
290 1HG2 VAL 40 1HG2 VAL 40 1.092 -6.599 0.275
291 2HG2 VAL 40 2HG2 VAL 40 2.593 -5.857 -0.283
292 3HG2 VAL 40 3HG2 VAL 40 1.194 -4.848 0.091
293 H VAL 41 H VAL 41 5.284 -5.853 2.886
294 HA VAL 41 HA VAL 41 5.035 -6.452 5.721
295 HB VAL 41 HB VAL 41 7.193 -6.859 4.669
296 1HG1 VAL 41 1HG1 VAL 41 6.964 -5.169 2.886
297 2HG1 VAL 41 2HG1 VAL 41 8.527 -5.099 3.700
298 3HG1 VAL 41 3HG1 VAL 41 7.282 -3.908 4.071
299 1HG2 VAL 41 1HG2 VAL 41 7.045 -4.673 6.710
300 2HG2 VAL 41 2HG2 VAL 41 8.603 -5.246 6.118
301 3HG2 VAL 41 3HG2 VAL 41 7.499 -6.365 6.917
302 H LEU 42 H LEU 42 4.049 -5.044 7.016
303 HA LEU 42 HA LEU 42 3.430 -2.392 6.163
304 1HB LEU 42 2HB LEU 42 3.082 -3.552 8.920
305 2HB LEU 42 1HB LEU 42 2.225 -2.188 8.225
306 HG LEU 42 HG LEU 42 2.007 -4.990 7.135
307 1HD1 LEU 42 1HD1 LEU 42 -0.348 -4.100 8.503
308 2HD1 LEU 42 2HD1 LEU 42 1.032 -4.069 9.601
309 3HD1 LEU 42 3HD1 LEU 42 0.609 -5.559 8.757
310 1HD2 LEU 42 1HD2 LEU 42 -0.280 -3.712 6.498
311 2HD2 LEU 42 2HD2 LEU 42 1.139 -3.770 5.453
312 3HD2 LEU 42 3HD2 LEU 42 0.855 -2.362 6.476
313 H SER 43 H SER 43 5.792 -3.801 8.332
314 HA SER 43 HA SER 43 6.546 -1.568 9.789
315 1HB SER 43 2HB SER 43 7.322 -3.769 10.392
316 2HB SER 43 1HB SER 43 8.219 -3.913 8.882
317 HG SER 43 HG SER 43 9.644 -2.386 9.583
318 H THR 44 H THR 44 7.111 -2.186 6.457
319 HA THR 44 HA THR 44 9.246 -0.174 6.385
320 HB THR 44 HB THR 44 10.068 -1.148 4.507
321 HG1 THR 44 HG1 THR 44 8.819 -1.890 2.839
322 1HG2 THR 44 1HG2 THR 44 10.019 -3.046 5.931
323 2HG2 THR 44 2HG2 THR 44 9.562 -3.568 4.310
324 3HG2 THR 44 3HG2 THR 44 8.326 -3.351 5.547
325 H ILE 45 H ILE 45 5.940 -0.653 5.604
326 HA ILE 45 HA ILE 45 5.462 1.071 3.539
327 HB ILE 45 HB ILE 45 3.769 0.739 6.017
328 1HG1 ILE 45 2HG1 ILE 45 4.273 -1.350 4.778
329 2HG1 ILE 45 1HG1 ILE 45 2.562 -0.929 4.725
330 1HG2 ILE 45 1HG2 ILE 45 3.125 2.748 4.816
331 2HG2 ILE 45 2HG2 ILE 45 1.901 1.495 4.608
332 3HG2 ILE 45 3HG2 ILE 45 3.038 1.840 3.306
333 1HD1 ILE 45 1HD1 ILE 45 3.174 0.188 2.471
334 2HD1 ILE 45 2HD1 ILE 45 2.992 -1.564 2.557
335 3HD1 ILE 45 3HD1 ILE 45 4.602 -0.843 2.554
336 H ASP 46 H ASP 46 6.719 2.869 3.435
337 HA ASP 46 HA ASP 46 7.190 4.646 5.575
338 1HB ASP 46 2HB ASP 46 8.540 4.372 3.423
339 2HB ASP 46 1HB ASP 46 7.323 5.390 2.659
340 H LYS 47 H LYS 47 4.592 4.385 3.266
341 HA LYS 47 HA LYS 47 3.226 6.568 4.630
342 1HB LYS 47 2HB LYS 47 3.927 6.564 1.717
343 2HB LYS 47 1HB LYS 47 2.532 7.453 2.303
344 1HG LYS 47 2HG LYS 47 4.141 8.580 3.917
345 2HG LYS 47 1HG LYS 47 5.430 7.871 2.943
346 1HD LYS 47 2HD LYS 47 3.958 8.962 0.988
347 2HD LYS 47 1HD LYS 47 3.550 10.065 2.303
348 1HE LYS 47 2HE LYS 47 6.410 9.379 1.911
349 2HE LYS 47 1HE LYS 47 5.656 10.446 0.728
350 1HZ LYS 47 1HZ LYS 47 6.286 10.927 3.528
351 2HZ LYS 47 2HZ LYS 47 4.826 11.577 2.973
352 3HZ LYS 47 3HZ LYS 47 6.280 12.000 2.218
353 H LEU 48 H LEU 48 0.980 6.608 4.351
354 HA LEU 48 HA LEU 48 -0.216 4.313 2.987
355 1HB LEU 48 2HB LEU 48 -0.865 3.352 4.879
356 2HB LEU 48 1HB LEU 48 0.042 4.553 5.773
357 HG LEU 48 HG LEU 48 -2.218 5.934 5.364
358 1HD1 LEU 48 1HD1 LEU 48 -3.115 3.834 4.183
359 2HD1 LEU 48 2HD1 LEU 48 -4.147 4.641 5.365
360 3HD1 LEU 48 3HD1 LEU 48 -3.276 3.173 5.812
361 1HD2 LEU 48 1HD2 LEU 48 -1.401 4.042 7.526
362 2HD2 LEU 48 2HD2 LEU 48 -2.940 4.898 7.635
363 3HD2 LEU 48 3HD2 LEU 48 -1.431 5.806 7.536
364 H GLN 49 H GLN 49 -1.896 4.870 1.737
365 HA GLN 49 HA GLN 49 -3.274 7.401 2.318
366 1HB GLN 49 2HB GLN 49 -2.211 6.511 -0.364
367 2HB GLN 49 1HB GLN 49 -3.313 7.863 -0.140
368 1HG GLN 49 2HG GLN 49 -1.659 9.014 1.214
369 2HG GLN 49 1HG GLN 49 -0.559 7.646 1.056
370 1HE2 GLN 49 1HE2 GLN 49 0.110 10.247 0.321
371 2HE2 GLN 49 2HE2 GLN 49 0.333 10.298 -1.391
372 H ALA 50 H ALA 50 -5.399 7.582 1.510
373 HA ALA 50 HA ALA 50 -6.646 5.223 0.348
374 1HB ALA 50 1HB ALA 50 -7.521 6.358 3.001
375 2HB ALA 50 2HB ALA 50 -6.795 4.775 2.729
376 3HB ALA 50 3HB ALA 50 -8.393 5.137 2.075
377 H THR 51 H THR 51 -8.728 5.645 -0.552
378 HA THR 51 HA THR 51 -8.996 8.321 -1.535
379 HB THR 51 HB THR 51 -11.043 7.392 -2.672
380 HG1 THR 51 HG1 THR 51 -11.745 5.746 -1.492
381 1HG2 THR 51 1HG2 THR 51 -8.987 7.304 -3.891
382 2HG2 THR 51 2HG2 THR 51 -9.851 5.785 -4.123
383 3HG2 THR 51 3HG2 THR 51 -8.480 5.860 -3.017
384 HA PRO 52 HA PRO 52 -11.485 9.675 1.950
385 1HB PRO 52 2HB PRO 52 -12.124 12.122 0.900
386 2HB PRO 52 1HB PRO 52 -10.596 11.769 1.715
387 1HG PRO 52 2HG PRO 52 -11.206 11.860 -1.214
388 2HG PRO 52 1HG PRO 52 -9.793 12.487 -0.344
389 1HD PRO 52 2HD PRO 52 -9.705 10.168 -1.700
390 2HD PRO 52 1HD PRO 52 -8.807 10.398 -0.186
391 H ALA 53 H ALA 53 -13.688 10.225 2.364
392 HA ALA 53 HA ALA 53 -15.550 8.845 0.780
393 1HB ALA 53 1HB ALA 53 -17.175 10.370 2.242
394 2HB ALA 53 2HB ALA 53 -15.685 10.613 3.152
395 3HB ALA 53 3HB ALA 53 -16.316 8.982 2.912
396 H SER 54 H SER 54 -14.784 12.291 1.028
397 HA SER 54 HA SER 54 -16.847 13.292 -0.559
398 1HB SER 54 2HB SER 54 -15.299 14.686 0.810
399 2HB SER 54 1HB SER 54 -14.027 14.376 -0.374
400 HG SER 54 HG SER 54 -14.982 15.681 -1.768
401 H SER 55 H SER 55 -13.942 11.636 -1.412
402 HA SER 55 HA SER 55 -14.103 12.330 -4.202
403 1HB SER 55 2HB SER 55 -11.904 12.040 -3.097
404 2HB SER 55 1HB SER 55 -12.296 10.344 -2.815
405 HG SER 55 HG SER 55 -11.050 11.130 -4.833
406 H GLU 56 H GLU 56 -15.433 11.343 -5.547
407 HA GLU 56 HA GLU 56 -16.991 9.117 -4.926
408 1HB GLU 56 2HB GLU 56 -16.174 10.186 -7.632
409 2HB GLU 56 1HB GLU 56 -17.449 9.005 -7.369
410 1HG GLU 56 2HG GLU 56 -18.661 10.653 -6.002
411 2HG GLU 56 1HG GLU 56 -17.403 11.837 -6.354
412 H LYS 57 H LYS 57 -13.717 9.323 -5.867
413 HA LYS 57 HA LYS 57 -13.493 6.732 -7.063
414 1HB LYS 57 2HB LYS 57 -11.337 8.489 -5.879
415 2HB LYS 57 1HB LYS 57 -11.081 7.106 -6.935
416 1HG LYS 57 2HG LYS 57 -12.511 9.648 -7.685
417 2HG LYS 57 1HG LYS 57 -10.863 9.211 -8.140
418 1HD LYS 57 2HD LYS 57 -11.843 7.151 -9.229
419 2HD LYS 57 1HD LYS 57 -13.430 7.880 -8.978
420 1HE LYS 57 2HE LYS 57 -11.497 9.686 -10.213
421 2HE LYS 57 1HE LYS 57 -11.826 8.244 -11.175
422 1HZ LYS 57 1HZ LYS 57 -13.493 9.589 -11.891
423 2HZ LYS 57 2HZ LYS 57 -13.620 10.432 -10.431
424 3HZ LYS 57 3HZ LYS 57 -14.288 8.885 -10.575
425 H MET 58 H MET 58 -12.848 4.823 -6.177
426 HA MET 58 HA MET 58 -12.574 4.743 -3.240
427 1HB MET 58 2HB MET 58 -13.691 2.507 -4.924
428 2HB MET 58 1HB MET 58 -13.770 2.694 -3.178
429 1HG MET 58 2HG MET 58 -15.041 4.795 -4.835
430 2HG MET 58 1HG MET 58 -15.824 3.218 -4.768
431 1HE MET 58 1HE MET 58 -16.483 2.759 -0.971
432 2HE MET 58 2HE MET 58 -14.827 2.513 -1.526
433 3HE MET 58 3HE MET 58 -16.181 1.964 -2.517
434 H MET 59 H MET 59 -10.545 4.209 -2.683
435 HA MET 59 HA MET 59 -9.286 1.852 -3.515
436 1HB MET 59 2HB MET 59 -8.797 4.206 -5.192
437 2HB MET 59 1HB MET 59 -7.331 3.418 -4.626
438 1HG MET 59 2HG MET 59 -7.593 1.693 -6.004
439 2HG MET 59 1HG MET 59 -9.306 1.538 -5.629
440 1HE MET 59 1HE MET 59 -8.400 5.167 -6.889
441 2HE MET 59 2HE MET 59 -7.828 4.791 -8.515
442 3HE MET 59 3HE MET 59 -6.954 4.181 -7.110
443 H LEU 60 H LEU 60 -6.937 1.787 -2.879
444 HA LEU 60 HA LEU 60 -6.164 3.722 -0.842
445 1HB LEU 60 2HB LEU 60 -7.367 1.252 -0.182
446 2HB LEU 60 1HB LEU 60 -5.659 1.076 0.172
447 HG LEU 60 HG LEU 60 -6.227 3.516 1.295
448 1HD1 LEU 60 1HD1 LEU 60 -8.599 1.706 1.722
449 2HD1 LEU 60 2HD1 LEU 60 -8.607 3.275 0.917
450 3HD1 LEU 60 3HD1 LEU 60 -8.254 3.171 2.641
451 1HD2 LEU 60 1HD2 LEU 60 -6.371 2.092 3.449
452 2HD2 LEU 60 2HD2 LEU 60 -4.894 2.041 2.487
453 3HD2 LEU 60 3HD2 LEU 60 -6.066 0.729 2.372
454 H ARG 61 H ARG 61 -3.983 4.042 -0.820
455 HA ARG 61 HA ARG 61 -2.336 2.091 -2.294
456 1HB ARG 61 2HB ARG 61 -2.482 5.063 -2.545
457 2HB ARG 61 1HB ARG 61 -0.942 4.262 -2.826
458 1HG ARG 61 2HG ARG 61 -2.103 2.805 -4.496
459 2HG ARG 61 1HG ARG 61 -3.523 3.836 -4.307
460 1HD ARG 61 2HD ARG 61 -2.624 5.502 -5.516
461 2HD ARG 61 1HD ARG 61 -1.026 5.288 -4.802
462 HE ARG 61 HE ARG 61 -1.333 3.135 -6.451
463 1HH1 ARG 61 1HH1 ARG 61 -1.500 6.596 -6.872
464 2HH1 ARG 61 2HH1 ARG 61 -0.961 6.547 -8.517
465 1HH2 ARG 61 1HH2 ARG 61 -0.623 3.069 -8.614
466 2HH2 ARG 61 2HH2 ARG 61 -0.463 4.545 -9.506
467 H LEU 62 H LEU 62 -0.511 1.428 -1.379
468 HA LEU 62 HA LEU 62 0.358 2.735 1.120
469 1HB LEU 62 2HB LEU 62 0.520 -0.143 0.225
470 2HB LEU 62 1HB LEU 62 1.407 0.475 1.602
471 HG LEU 62 HG LEU 62 -0.397 0.429 2.955
472 1HD1 LEU 62 1HD1 LEU 62 -2.651 1.058 2.350
473 2HD1 LEU 62 2HD1 LEU 62 -2.212 1.099 0.642
474 3HD1 LEU 62 3HD1 LEU 62 -1.514 2.270 1.761
475 1HD2 LEU 62 1HD2 LEU 62 -1.886 -1.386 2.493
476 2HD2 LEU 62 2HD2 LEU 62 -0.295 -1.802 1.856
477 3HD2 LEU 62 3HD2 LEU 62 -1.570 -1.268 0.760
478 H ILE 63 H ILE 63 2.397 3.519 1.202
479 HA ILE 63 HA ILE 63 4.089 3.097 -1.155
480 HB ILE 63 HB ILE 63 4.880 5.060 0.928
481 1HG1 ILE 63 2HG1 ILE 63 2.528 5.563 0.807
482 2HG1 ILE 63 1HG1 ILE 63 3.396 6.784 -0.116
483 1HG2 ILE 63 1HG2 ILE 63 6.359 5.025 -0.832
484 2HG2 ILE 63 2HG2 ILE 63 5.285 6.345 -1.297
485 3HG2 ILE 63 3HG2 ILE 63 5.094 4.752 -2.031
486 1HD1 ILE 63 1HD1 ILE 63 2.259 4.403 -1.491
487 2HD1 ILE 63 2HD1 ILE 63 2.601 6.013 -2.122
488 3HD1 ILE 63 3HD1 ILE 63 1.229 5.762 -1.046
489 H GLY 64 H GLY 64 6.293 2.566 -0.966
490 1HA GLY 64 2HA GLY 64 7.011 1.330 1.623
491 2HA GLY 64 1HA GLY 64 7.422 0.613 0.073
492 H LYS 65 H LYS 65 8.969 1.747 2.475
493 HA LYS 65 HA LYS 65 10.399 4.012 1.783
494 1HB LYS 65 2HB LYS 65 11.142 1.575 3.378
495 2HB LYS 65 1HB LYS 65 12.283 2.889 3.142
496 1HG LYS 65 2HG LYS 65 10.618 4.441 4.130
497 2HG LYS 65 1HG LYS 65 9.594 3.047 4.481
498 1HD LYS 65 2HD LYS 65 11.332 2.097 5.891
499 2HD LYS 65 1HD LYS 65 12.408 3.439 5.497
500 1HE LYS 65 2HE LYS 65 11.602 4.427 7.329
501 2HE LYS 65 1HE LYS 65 10.139 4.709 6.387
502 1HZ LYS 65 1HZ LYS 65 9.024 3.060 7.450
503 2HZ LYS 65 2HZ LYS 65 10.084 3.482 8.699
504 3HZ LYS 65 3HZ LYS 65 10.408 2.129 7.735
505 H VAL 66 H VAL 66 12.223 4.436 0.594
506 HA VAL 66 HA VAL 66 13.199 2.246 -1.120
507 HB VAL 66 HB VAL 66 11.824 4.199 -2.168
508 1HG1 VAL 66 1HG1 VAL 66 13.513 5.844 -1.007
509 2HG1 VAL 66 2HG1 VAL 66 12.813 6.209 -2.585
510 3HG1 VAL 66 3HG1 VAL 66 14.446 5.552 -2.475
511 1HG2 VAL 66 1HG2 VAL 66 14.111 4.021 -3.881
512 2HG2 VAL 66 2HG2 VAL 66 12.528 3.259 -4.046
513 3HG2 VAL 66 3HG2 VAL 66 13.798 2.458 -3.123
514 H ASP 67 H ASP 67 15.281 3.733 -2.301
515 HA ASP 67 HA ASP 67 16.978 4.902 -0.338
516 1HB ASP 67 2HB ASP 67 17.007 2.335 0.100
517 2HB ASP 67 1HB ASP 67 17.996 2.263 -1.356
518 H GLU 68 H GLU 68 16.352 6.125 -2.498
519 HA GLU 68 HA GLU 68 17.648 5.551 -4.891
520 1HB GLU 68 2HB GLU 68 16.958 8.261 -3.747
521 2HB GLU 68 1HB GLU 68 17.348 7.938 -5.430
522 1HG GLU 68 2HG GLU 68 15.381 6.524 -5.633
523 2HG GLU 68 1HG GLU 68 14.999 6.797 -3.934
524 H SER 69 H SER 69 18.915 6.753 -1.937
525 HA SER 69 HA SER 69 21.179 8.121 -2.864
526 1HB SER 69 2HB SER 69 20.875 6.527 -0.308
527 2HB SER 69 1HB SER 69 22.104 7.752 -0.622
528 HG SER 69 HG SER 69 19.356 8.053 -0.161
529 H LYS 70 H LYS 70 20.402 4.802 -2.968
530 HA LYS 70 HA LYS 70 23.066 3.767 -2.883
531 1HB LYS 70 2HB LYS 70 20.528 2.536 -3.972
532 2HB LYS 70 1HB LYS 70 22.040 1.678 -3.697
533 1HG LYS 70 2HG LYS 70 21.547 2.840 -1.257
534 2HG LYS 70 1HG LYS 70 19.933 2.410 -1.827
535 1HD LYS 70 2HD LYS 70 22.268 0.503 -1.789
536 2HD LYS 70 1HD LYS 70 21.078 0.630 -0.491
537 1HE LYS 70 2HE LYS 70 19.418 0.342 -2.567
538 2HE LYS 70 1HE LYS 70 20.820 -0.514 -3.210
539 1HZ LYS 70 1HZ LYS 70 19.013 -1.722 -1.757
540 2HZ LYS 70 2HZ LYS 70 19.966 -1.146 -0.484
541 3HZ LYS 70 3HZ LYS 70 20.647 -2.151 -1.663
542 H LYS 71 H LYS 71 20.877 4.835 -5.420
543 HA LYS 71 HA LYS 71 21.194 5.269 -7.631
544 1HB LYS 71 2HB LYS 71 24.129 5.174 -6.907
545 2HB LYS 71 1HB LYS 71 23.454 5.849 -8.385
546 1HG LYS 71 2HG LYS 71 22.082 7.193 -6.426
547 2HG LYS 71 1HG LYS 71 23.695 7.018 -5.732
548 1HD LYS 71 2HD LYS 71 24.643 7.952 -7.824
549 2HD LYS 71 1HD LYS 71 23.000 8.218 -8.411
550 1HE LYS 71 2HE LYS 71 22.873 9.424 -5.992
551 2HE LYS 71 1HE LYS 71 24.565 9.703 -6.406
552 1HZ LYS 71 1HZ LYS 71 22.628 10.233 -8.509
553 2HZ LYS 71 2HZ LYS 71 24.018 11.093 -8.074
554 3HZ LYS 71 3HZ LYS 71 22.590 11.291 -7.188
555 H ARG 72 H ARG 72 20.359 3.377 -8.454
556 HA ARG 72 HA ARG 72 22.161 1.102 -8.818
557 1HB ARG 72 2HB ARG 72 19.189 1.414 -9.252
558 2HB ARG 72 1HB ARG 72 20.081 -0.053 -9.626
559 1HG ARG 72 2HG ARG 72 19.946 1.197 -6.893
560 2HG ARG 72 1HG ARG 72 18.903 -0.113 -7.449
561 1HD ARG 72 2HD ARG 72 20.963 -1.449 -7.909
562 2HD ARG 72 1HD ARG 72 21.901 -0.167 -7.143
563 HE ARG 72 HE ARG 72 21.246 -0.965 -5.108
564 1HH1 ARG 72 1HH1 ARG 72 19.085 -2.229 -7.540
565 2HH1 ARG 72 2HH1 ARG 72 18.257 -3.278 -6.439
566 1HH2 ARG 72 1HH2 ARG 72 20.160 -2.346 -3.657
567 2HH2 ARG 72 2HH2 ARG 72 18.868 -3.344 -4.234
568 H LYS 73 H LYS 73 22.788 0.319 -10.790
569 HA LYS 73 HA LYS 73 22.544 2.176 -13.018
570 1HB LYS 73 2HB LYS 73 24.204 -0.325 -12.667
571 2HB LYS 73 1HB LYS 73 24.234 0.695 -14.099
572 1HG LYS 73 2HG LYS 73 24.761 1.934 -11.447
573 2HG LYS 73 1HG LYS 73 26.023 0.965 -12.209
574 1HD LYS 73 2HD LYS 73 25.636 2.382 -14.288
575 2HD LYS 73 1HD LYS 73 24.701 3.459 -13.247
576 1HE LYS 73 2HE LYS 73 26.574 4.006 -11.946
577 2HE LYS 73 1HE LYS 73 27.506 2.640 -12.556
578 1HZ LYS 73 1HZ LYS 73 28.410 4.212 -13.859
579 2HZ LYS 73 2HZ LYS 73 27.094 5.265 -13.717
580 3HZ LYS 73 3HZ LYS 73 27.030 3.977 -14.811
581 H ASP 74 H ASP 74 21.713 1.660 -15.028
582 HA ASP 74 HA ASP 74 19.749 -0.498 -15.013
583 1HB ASP 74 2HB ASP 74 19.372 1.995 -15.768
584 2HB ASP 74 1HB ASP 74 20.060 1.428 -17.286
585 H ASN 75 H ASN 75 19.413 -1.563 -17.246
586 HA ASN 75 HA ASN 75 21.648 -3.145 -17.812
587 1HB ASN 75 2HB ASN 75 19.206 -3.697 -18.244
588 2HB ASN 75 1HB ASN 75 19.334 -2.708 -19.697
589 1HD2 ASN 75 1HD2 ASN 75 18.611 -5.122 -20.223
590 2HD2 ASN 75 2HD2 ASN 75 19.902 -6.105 -20.819
591 H GLU 76 H GLU 76 20.786 -0.034 -18.958
592 HA GLU 76 HA GLU 76 22.391 -0.213 -21.364
593 1HB GLU 76 2HB GLU 76 20.872 2.062 -20.088
594 2HB GLU 76 1HB GLU 76 21.815 2.235 -21.561
595 1HG GLU 76 2HG GLU 76 19.544 0.293 -21.237
596 2HG GLU 76 1HG GLU 76 19.377 1.910 -21.920
597 H GLY 77 H GLY 77 23.234 -0.067 -18.244
598 1HA GLY 77 2HA GLY 77 25.295 0.384 -17.300
599 2HA GLY 77 1HA GLY 77 25.812 1.058 -18.839
600 H ASN 78 H ASN 78 22.874 2.339 -17.659
601 HA ASN 78 HA ASN 78 24.307 4.754 -16.770
602 1HB ASN 78 2HB ASN 78 21.523 4.519 -17.930
603 2HB ASN 78 1HB ASN 78 22.296 6.016 -17.414
604 1HD2 ASN 78 1HD2 ASN 78 21.679 4.025 -19.990
605 2HD2 ASN 78 2HD2 ASN 78 22.859 4.634 -21.096
606 H GLU 79 H GLU 79 23.685 5.794 -14.901
607 HA GLU 79 HA GLU 79 22.577 4.151 -12.860
608 1HB GLU 79 2HB GLU 79 23.275 7.091 -12.882
609 2HB GLU 79 1HB GLU 79 22.792 6.200 -11.447
610 1HG GLU 79 2HG GLU 79 24.734 4.734 -11.715
611 2HG GLU 79 1HG GLU 79 25.225 5.657 -13.134
612 H VAL 80 H VAL 80 20.667 4.428 -11.677
613 HA VAL 80 HA VAL 80 18.632 6.176 -12.873
614 HB VAL 80 HB VAL 80 16.983 4.526 -12.981
615 1HG1 VAL 80 1HG1 VAL 80 18.565 4.275 -14.786
616 2HG1 VAL 80 2HG1 VAL 80 17.947 2.692 -14.312
617 3HG1 VAL 80 3HG1 VAL 80 19.558 3.198 -13.805
618 1HG2 VAL 80 1HG2 VAL 80 17.556 2.132 -12.110
619 2HG2 VAL 80 2HG2 VAL 80 17.006 3.371 -10.977
620 3HG2 VAL 80 3HG2 VAL 80 18.725 2.985 -11.101
621 H VAL 81 H VAL 81 16.809 6.606 -11.458
622 HA VAL 81 HA VAL 81 17.637 6.644 -8.645
623 HB VAL 81 HB VAL 81 15.399 8.204 -9.945
624 1HG1 VAL 81 1HG1 VAL 81 14.842 8.434 -7.775
625 2HG1 VAL 81 2HG1 VAL 81 16.160 9.607 -7.757
626 3HG1 VAL 81 3HG1 VAL 81 16.441 7.954 -7.205
627 1HG2 VAL 81 1HG2 VAL 81 16.827 9.811 -10.578
628 2HG2 VAL 81 2HG2 VAL 81 18.064 8.561 -10.451
629 3HG2 VAL 81 3HG2 VAL 81 17.790 9.669 -9.108
630 HA PRO 82 HA PRO 82 14.946 2.967 -8.377
631 1HB PRO 82 2HB PRO 82 15.416 3.796 -5.532
632 2HB PRO 82 1HB PRO 82 15.403 2.175 -6.240
633 1HG PRO 82 2HG PRO 82 17.700 3.449 -5.711
634 2HG PRO 82 1HG PRO 82 17.522 2.398 -7.126
635 1HD PRO 82 2HD PRO 82 17.733 5.336 -6.986
636 2HD PRO 82 1HD PRO 82 18.072 4.242 -8.338
637 H LYS 83 H LYS 83 12.791 2.673 -7.901
638 HA LYS 83 HA LYS 83 11.322 5.055 -6.971
639 1HB LYS 83 2HB LYS 83 10.537 2.937 -8.974
640 2HB LYS 83 1HB LYS 83 9.407 4.113 -8.314
641 1HG LYS 83 2HG LYS 83 11.879 5.222 -9.468
642 2HG LYS 83 1HG LYS 83 10.767 4.457 -10.604
643 1HD LYS 83 2HD LYS 83 9.778 6.480 -10.626
644 2HD LYS 83 1HD LYS 83 9.044 5.930 -9.119
645 1HE LYS 83 2HE LYS 83 11.713 7.137 -8.851
646 2HE LYS 83 1HE LYS 83 10.445 8.235 -9.394
647 1HZ LYS 83 1HZ LYS 83 9.810 6.511 -7.130
648 2HZ LYS 83 2HZ LYS 83 9.374 8.119 -7.423
649 3HZ LYS 83 3HZ LYS 83 10.922 7.755 -6.844
650 HA PRO 84 HA PRO 84 10.570 2.541 -3.287
651 1HB PRO 84 2HB PRO 84 8.315 4.236 -2.802
652 2HB PRO 84 1HB PRO 84 9.892 4.279 -2.012
653 1HG PRO 84 2HG PRO 84 8.885 5.865 -4.312
654 2HG PRO 84 1HG PRO 84 10.051 6.325 -3.061
655 1HD PRO 84 2HD PRO 84 10.860 5.796 -5.515
656 2HD PRO 84 1HD PRO 84 11.793 5.185 -4.130
657 H GLN 85 H GLN 85 9.191 0.876 -2.873
658 HA GLN 85 HA GLN 85 7.456 -0.028 -4.909
659 1HB GLN 85 2HB GLN 85 8.074 -0.906 -2.118
660 2HB GLN 85 1HB GLN 85 6.681 -1.597 -2.940
661 1HG GLN 85 2HG GLN 85 9.547 -1.701 -3.844
662 2HG GLN 85 1HG GLN 85 8.576 -3.036 -3.226
663 1HE2 GLN 85 1HE2 GLN 85 9.909 -2.070 -5.911
664 2HE2 GLN 85 2HE2 GLN 85 8.725 -2.530 -7.082
665 H ARG 86 H ARG 86 5.399 0.428 -5.317
666 HA ARG 86 HA ARG 86 3.793 1.681 -3.185
667 1HB ARG 86 2HB ARG 86 3.774 2.295 -6.146
668 2HB ARG 86 1HB ARG 86 2.627 2.948 -4.982
669 1HG ARG 86 2HG ARG 86 4.544 3.970 -3.767
670 2HG ARG 86 1HG ARG 86 5.595 3.436 -5.080
671 1HD ARG 86 2HD ARG 86 4.108 4.708 -6.653
672 2HD ARG 86 1HD ARG 86 3.297 5.376 -5.237
673 HE ARG 86 HE ARG 86 6.148 5.739 -5.215
674 1HH1 ARG 86 1HH1 ARG 86 3.105 7.055 -6.305
675 2HH1 ARG 86 2HH1 ARG 86 3.707 8.674 -6.428
676 1HH2 ARG 86 1HH2 ARG 86 6.941 7.868 -5.376
677 2HH2 ARG 86 2HH2 ARG 86 5.885 9.136 -5.901
678 H HIS 87 H HIS 87 2.104 0.497 -2.609
679 HA HIS 87 HA HIS 87 1.113 -1.563 -4.441
680 1HB HIS 87 2HB HIS 87 0.565 -1.167 -1.492
681 2HB HIS 87 1HB HIS 87 0.022 -2.530 -2.466
682 HD1 HIS 87 HD1 HIS 87 2.210 -3.819 -3.680
683 HD2 HIS 87 HD2 HIS 87 2.828 -1.730 -0.142
684 HE1 HIS 87 HE1 HIS 87 4.352 -4.731 -2.727
685 HE2 HIS 87 HE2 HIS 87 4.660 -3.511 -0.543
686 H MET 88 H MET 88 -0.964 -1.613 -5.186
687 HA MET 88 HA MET 88 -2.684 0.658 -4.434
688 1HB MET 88 2HB MET 88 -1.676 0.781 -6.742
689 2HB MET 88 1HB MET 88 -2.604 -0.653 -7.150
690 1HG MET 88 2HG MET 88 -4.191 1.493 -5.961
691 2HG MET 88 1HG MET 88 -3.432 1.916 -7.495
692 1HE MET 88 1HE MET 88 -5.306 1.969 -9.330
693 2HE MET 88 2HE MET 88 -6.162 2.304 -7.825
694 3HE MET 88 3HE MET 88 -6.843 1.173 -8.994
695 H PHE 89 H PHE 89 -4.254 -0.131 -3.198
696 HA PHE 89 HA PHE 89 -5.575 -2.628 -4.039
697 1HB PHE 89 2HB PHE 89 -5.372 -1.427 -1.267
698 2HB PHE 89 1HB PHE 89 -6.270 -2.886 -1.676
699 HD1 PHE 89 HD1 PHE 89 -5.071 -4.926 -2.356
700 HD2 PHE 89 HD2 PHE 89 -3.010 -1.453 -1.013
701 HE1 PHE 89 HE1 PHE 89 -3.047 -6.275 -1.989
702 HE2 PHE 89 HE2 PHE 89 -0.980 -2.795 -0.644
703 HZ PHE 89 HZ PHE 89 -0.996 -5.209 -1.133
704 H SER 90 H SER 90 -7.619 -2.447 -4.716
705 HA SER 90 HA SER 90 -8.976 0.111 -4.343
706 1HB SER 90 2HB SER 90 -10.449 -1.787 -5.955
707 2HB SER 90 1HB SER 90 -9.796 -0.212 -6.404
708 HG SER 90 HG SER 90 -8.894 -1.971 -7.609
709 H PHE 91 H PHE 91 -10.815 0.386 -3.210
710 HA PHE 91 HA PHE 91 -12.015 -2.001 -1.966
711 1HB PHE 91 2HB PHE 91 -11.476 0.705 -0.737
712 2HB PHE 91 1HB PHE 91 -12.524 -0.501 -0.001
713 HD1 PHE 91 HD1 PHE 91 -11.624 -2.452 1.056
714 HD2 PHE 91 HD2 PHE 91 -9.069 0.343 -0.886
715 HE1 PHE 91 HE1 PHE 91 -9.673 -3.488 2.139
716 HE2 PHE 91 HE2 PHE 91 -7.114 -0.688 0.193
717 HZ PHE 91 HZ PHE 91 -7.414 -2.607 1.708
718 H ASN 92 H ASN 92 -14.278 -1.764 -1.353
719 HA ASN 92 HA ASN 92 -15.689 0.135 -3.107
720 1HB ASN 92 2HB ASN 92 -16.572 -2.615 -2.215
721 2HB ASN 92 1HB ASN 92 -17.522 -1.511 -3.208
722 1HD2 ASN 92 1HD2 ASN 92 -16.868 -4.077 -4.019
723 2HD2 ASN 92 2HD2 ASN 92 -15.791 -3.982 -5.368
724 H ASN 93 H ASN 93 -15.262 -0.968 0.108
725 HA ASN 93 HA ASN 93 -17.656 0.492 0.991
726 1HB ASN 93 2HB ASN 93 -15.991 -1.608 2.392
727 2HB ASN 93 1HB ASN 93 -17.294 -0.712 3.165
728 1HD2 ASN 93 1HD2 ASN 93 -17.184 -3.516 2.874
729 2HD2 ASN 93 2HD2 ASN 93 -18.505 -3.998 1.869
730 H ARG 94 H ARG 94 -17.281 2.509 1.605
731 HA ARG 94 HA ARG 94 -14.773 3.630 2.058
732 1HB ARG 94 2HB ARG 94 -17.443 4.602 3.079
733 2HB ARG 94 1HB ARG 94 -15.977 5.567 2.964
734 1HG ARG 94 2HG ARG 94 -16.267 4.604 0.410
735 2HG ARG 94 1HG ARG 94 -17.933 4.882 0.921
736 1HD ARG 94 2HD ARG 94 -17.224 7.171 1.656
737 2HD ARG 94 1HD ARG 94 -15.666 6.863 0.889
738 HE ARG 94 HE ARG 94 -16.636 7.267 -1.137
739 1HH1 ARG 94 1HH1 ARG 94 -19.156 6.603 1.184
740 2HH1 ARG 94 2HH1 ARG 94 -20.440 6.987 0.086
741 1HH2 ARG 94 1HH2 ARG 94 -18.323 7.774 -2.581
742 2HH2 ARG 94 2HH2 ARG 94 -19.967 7.651 -2.051
743 H THR 95 H THR 95 -16.937 1.990 4.218
744 HA THR 95 HA THR 95 -15.692 2.850 6.620
745 HB THR 95 HB THR 95 -17.208 0.373 6.659
746 HG1 THR 95 HG1 THR 95 -18.493 2.720 5.760
747 1HG2 THR 95 1HG2 THR 95 -17.697 3.034 7.931
748 2HG2 THR 95 2HG2 THR 95 -16.826 1.687 8.666
749 3HG2 THR 95 3HG2 THR 95 -18.547 1.537 8.305
750 H VAL 96 H VAL 96 -15.795 -0.276 4.902
751 HA VAL 96 HA VAL 96 -13.985 -1.626 6.534
752 HB VAL 96 HB VAL 96 -14.351 -2.038 3.561
753 1HG1 VAL 96 1HG1 VAL 96 -13.337 -3.854 5.744
754 2HG1 VAL 96 2HG1 VAL 96 -12.422 -3.218 4.377
755 3HG1 VAL 96 3HG1 VAL 96 -13.722 -4.381 4.106
756 1HG2 VAL 96 1HG2 VAL 96 -15.951 -3.856 4.409
757 2HG2 VAL 96 2HG2 VAL 96 -16.514 -2.186 4.435
758 3HG2 VAL 96 3HG2 VAL 96 -15.961 -2.953 5.923
759 H MET 97 H MET 97 -13.410 0.283 3.602
760 HA MET 97 HA MET 97 -10.624 -0.144 3.492
761 1HB MET 97 2HB MET 97 -10.579 1.844 2.036
762 2HB MET 97 1HB MET 97 -11.848 0.718 1.575
763 1HG MET 97 2HG MET 97 -13.134 2.536 1.515
764 2HG MET 97 1HG MET 97 -13.191 2.344 3.264
765 1HE MET 97 1HE MET 97 -11.741 4.934 0.374
766 2HE MET 97 2HE MET 97 -10.850 3.423 0.561
767 3HE MET 97 3HE MET 97 -10.133 4.941 1.101
768 H ASP 98 H ASP 98 -12.642 2.203 5.156
769 HA ASP 98 HA ASP 98 -10.600 3.934 6.006
770 1HB ASP 98 2HB ASP 98 -12.990 4.525 6.117
771 2HB ASP 98 1HB ASP 98 -13.226 3.312 7.371
772 H ASN 99 H ASN 99 -11.795 0.913 7.250
773 HA ASN 99 HA ASN 99 -10.508 1.029 9.776
774 1HB ASN 99 2HB ASN 99 -11.337 -1.394 8.159
775 2HB ASN 99 1HB ASN 99 -10.899 -1.405 9.864
776 1HD2 ASN 99 1HD2 ASN 99 -13.412 -2.059 8.378
777 2HD2 ASN 99 2HD2 ASN 99 -14.640 -1.136 9.170
778 H ILE 100 H ILE 100 -9.533 0.015 6.579
779 HA ILE 100 HA ILE 100 -7.109 -1.268 7.334
780 HB ILE 100 HB ILE 100 -7.802 0.009 4.684
781 1HG1 ILE 100 2HG1 ILE 100 -9.443 -1.717 5.524
782 2HG1 ILE 100 1HG1 ILE 100 -8.678 -2.100 3.985
783 1HG2 ILE 100 1HG2 ILE 100 -5.843 -2.203 5.270
784 2HG2 ILE 100 2HG2 ILE 100 -5.396 -0.508 5.076
785 3HG2 ILE 100 3HG2 ILE 100 -6.113 -1.391 3.728
786 1HD1 ILE 100 1HD1 ILE 100 -8.917 -3.855 5.972
787 2HD1 ILE 100 2HD1 ILE 100 -7.364 -3.140 6.417
788 3HD1 ILE 100 3HD1 ILE 100 -7.575 -3.879 4.822
789 H LYS 101 H LYS 101 -7.861 1.964 6.065
790 HA LYS 101 HA LYS 101 -5.217 2.918 6.108
791 1HB LYS 101 2HB LYS 101 -6.098 5.021 5.575
792 2HB LYS 101 1HB LYS 101 -7.267 3.895 4.900
793 1HG LYS 101 2HG LYS 101 -8.794 4.288 6.682
794 2HG LYS 101 1HG LYS 101 -7.595 5.216 7.582
795 1HD LYS 101 2HD LYS 101 -8.728 6.952 6.651
796 2HD LYS 101 1HD LYS 101 -7.602 6.640 5.330
797 1HE LYS 101 2HE LYS 101 -9.411 5.044 4.442
798 2HE LYS 101 1HE LYS 101 -10.492 5.870 5.562
799 1HZ LYS 101 1HZ LYS 101 -10.782 7.338 3.936
800 2HZ LYS 101 2HZ LYS 101 -9.477 6.748 3.037
801 3HZ LYS 101 3HZ LYS 101 -9.216 7.894 4.253
802 H MET 102 H MET 102 -7.629 2.607 8.556
803 HA MET 102 HA MET 102 -6.361 4.400 10.411
804 1HB MET 102 2HB MET 102 -8.434 4.340 11.250
805 2HB MET 102 1HB MET 102 -8.852 2.969 10.236
806 1HG MET 102 2HG MET 102 -8.151 1.423 11.889
807 2HG MET 102 1HG MET 102 -7.401 2.694 12.852
808 1HE MET 102 1HE MET 102 -11.277 2.185 11.337
809 2HE MET 102 2HE MET 102 -11.677 1.286 12.802
810 3HE MET 102 3HE MET 102 -10.325 0.771 11.793
811 H THR 103 H THR 103 -6.538 0.911 9.897
812 HA THR 103 HA THR 103 -4.933 0.309 12.200
813 HB THR 103 HB THR 103 -6.503 -1.135 10.277
814 HG1 THR 103 HG1 THR 103 -7.013 -1.969 12.110
815 1HG2 THR 103 1HG2 THR 103 -4.508 -1.909 9.263
816 2HG2 THR 103 2HG2 THR 103 -5.156 -3.206 10.272
817 3HG2 THR 103 3HG2 THR 103 -3.783 -2.249 10.833
818 H LEU 104 H LEU 104 -4.363 0.907 8.810
819 HA LEU 104 HA LEU 104 -1.724 -0.135 8.749
820 1HB LEU 104 2HB LEU 104 -3.398 1.547 6.959
821 2HB LEU 104 1HB LEU 104 -1.663 1.574 6.712
822 HG LEU 104 HG LEU 104 -3.352 -0.929 6.691
823 1HD1 LEU 104 1HD1 LEU 104 -3.799 0.684 4.820
824 2HD1 LEU 104 2HD1 LEU 104 -3.209 -0.901 4.322
825 3HD1 LEU 104 3HD1 LEU 104 -2.115 0.483 4.338
826 1HD2 LEU 104 1HD2 LEU 104 -0.687 -0.729 7.183
827 2HD2 LEU 104 2HD2 LEU 104 -0.703 -0.887 5.427
828 3HD2 LEU 104 3HD2 LEU 104 -1.466 -2.121 6.430
829 H GLN 105 H GLN 105 -3.111 3.043 9.365
830 HA GLN 105 HA GLN 105 -0.645 4.435 9.433
831 1HB GLN 105 2HB GLN 105 -2.094 6.136 9.386
832 2HB GLN 105 1HB GLN 105 -3.426 5.043 9.733
833 1HG GLN 105 2HG GLN 105 -2.958 5.286 12.133
834 2HG GLN 105 1HG GLN 105 -1.693 6.450 11.745
835 1HE2 GLN 105 1HE2 GLN 105 -2.240 8.516 11.614
836 2HE2 GLN 105 2HE2 GLN 105 -3.853 9.129 11.516
837 H GLN 106 H GLN 106 -2.416 2.562 11.740
838 HA GLN 106 HA GLN 106 -1.071 3.503 14.069
839 1HB GLN 106 2HB GLN 106 -2.715 1.049 13.483
840 2HB GLN 106 1HB GLN 106 -1.960 1.310 15.050
841 1HG GLN 106 2HG GLN 106 -3.215 3.354 15.352
842 2HG GLN 106 1HG GLN 106 -3.918 3.186 13.746
843 1HE2 GLN 106 1HE2 GLN 106 -3.993 2.143 17.027
844 2HE2 GLN 106 2HE2 GLN 106 -5.416 1.169 16.914
845 H ILE 107 H ILE 107 -0.478 0.969 11.722
846 HA ILE 107 HA ILE 107 1.548 -0.368 13.204
847 HB ILE 107 HB ILE 107 1.105 -0.353 10.213
848 1HG1 ILE 107 2HG1 ILE 107 0.227 -2.570 12.014
849 2HG1 ILE 107 1HG1 ILE 107 -0.763 -1.117 11.924
850 1HG2 ILE 107 1HG2 ILE 107 3.242 -1.237 10.547
851 2HG2 ILE 107 2HG2 ILE 107 2.201 -2.659 10.476
852 3HG2 ILE 107 3HG2 ILE 107 2.769 -2.059 12.034
853 1HD1 ILE 107 1HD1 ILE 107 -1.606 -1.712 9.961
854 2HD1 ILE 107 2HD1 ILE 107 -0.885 -3.296 10.247
855 3HD1 ILE 107 3HD1 ILE 107 -0.013 -2.088 9.303
856 H ILE 108 H ILE 108 1.658 2.031 10.580
857 HA ILE 108 HA ILE 108 4.447 2.219 10.361
858 HB ILE 108 HB ILE 108 2.707 4.652 10.101
859 1HG1 ILE 108 2HG1 ILE 108 2.999 2.821 7.768
860 2HG1 ILE 108 1HG1 ILE 108 1.791 2.440 8.986
861 1HG2 ILE 108 1HG2 ILE 108 4.613 4.103 7.989
862 2HG2 ILE 108 2HG2 ILE 108 5.374 4.137 9.580
863 3HG2 ILE 108 3HG2 ILE 108 4.440 5.524 9.021
864 1HD1 ILE 108 1HD1 ILE 108 1.111 4.937 8.657
865 2HD1 ILE 108 2HD1 ILE 108 0.556 3.690 7.538
866 3HD1 ILE 108 3HD1 ILE 108 1.916 4.724 7.101
867 H SER 109 H SER 109 2.234 4.362 12.012
868 HA SER 109 HA SER 109 4.035 5.903 13.426
869 1HB SER 109 2HB SER 109 1.331 4.983 14.427
870 2HB SER 109 1HB SER 109 2.220 6.400 14.985
871 HG SER 109 HG SER 109 0.939 5.961 12.517
872 H ARG 110 H ARG 110 3.004 2.647 14.011
873 HA ARG 110 HA ARG 110 3.852 2.400 16.688
874 1HB ARG 110 2HB ARG 110 2.760 0.710 14.669
875 2HB ARG 110 1HB ARG 110 4.176 -0.089 15.338
876 1HG ARG 110 2HG ARG 110 3.173 0.370 17.623
877 2HG ARG 110 1HG ARG 110 1.691 0.797 16.766
878 1HD ARG 110 2HD ARG 110 1.728 -1.434 15.686
879 2HD ARG 110 1HD ARG 110 3.138 -1.847 16.661
880 HE ARG 110 HE ARG 110 0.874 -0.981 18.208
881 1HH1 ARG 110 1HH1 ARG 110 2.417 -3.711 16.675
882 2HH1 ARG 110 2HH1 ARG 110 1.656 -4.877 17.704
883 1HH2 ARG 110 1HH2 ARG 110 -0.124 -2.514 19.564
884 2HH2 ARG 110 2HH2 ARG 110 0.213 -4.198 19.345
885 H TYR 111 H TYR 111 5.488 2.085 13.626
886 HA TYR 111 HA TYR 111 7.945 1.186 14.896
887 1HB TYR 111 2HB TYR 111 7.134 1.623 12.028
888 2HB TYR 111 1HB TYR 111 8.805 1.300 12.484
889 HD1 TYR 111 HD1 TYR 111 5.518 -0.122 11.964
890 HD2 TYR 111 HD2 TYR 111 9.390 -0.874 13.554
891 HE1 TYR 111 HE1 TYR 111 5.041 -2.533 11.964
892 HE2 TYR 111 HE2 TYR 111 8.927 -3.289 13.554
893 HH TYR 111 HH TYR 111 5.908 -4.582 13.283
894 H LYS 112 H LYS 112 6.559 4.081 13.518
895 HA LYS 112 HA LYS 112 8.936 5.578 13.249
896 1HB LYS 112 2HB LYS 112 6.031 6.185 13.360
897 2HB LYS 112 1HB LYS 112 7.132 7.514 13.699
898 1HG LYS 112 2HG LYS 112 7.244 7.829 11.508
899 2HG LYS 112 1HG LYS 112 8.193 6.342 11.431
900 1HD LYS 112 2HD LYS 112 6.386 6.193 9.852
901 2HD LYS 112 1HD LYS 112 6.078 5.069 11.178
902 1HE LYS 112 2HE LYS 112 4.024 6.019 11.096
903 2HE LYS 112 1HE LYS 112 4.801 7.215 12.131
904 1HZ LYS 112 1HZ LYS 112 4.781 7.508 9.191
905 2HZ LYS 112 2HZ LYS 112 5.034 8.696 10.367
906 3HZ LYS 112 3HZ LYS 112 3.488 8.052 10.138
907 H ASP 113 H ASP 113 6.795 4.953 15.947
908 HA ASP 113 HA ASP 113 7.668 6.934 17.713
909 1HB ASP 113 2HB ASP 113 5.679 5.432 18.030
910 2HB ASP 113 1HB ASP 113 6.792 4.139 18.467
911 H ALA 114 H ALA 114 8.988 3.756 16.970
912 HA ALA 114 HA ALA 114 10.870 3.617 19.055
913 1HB ALA 114 1HB ALA 114 10.706 1.577 18.095
914 2HB ALA 114 2HB ALA 114 12.070 2.163 17.146
915 3HB ALA 114 3HB ALA 114 10.437 2.237 16.483
916 H ASP 115 H ASP 115 10.946 5.168 15.914
917 HA ASP 115 HA ASP 115 13.497 6.418 16.659
918 1HB ASP 115 2HB ASP 115 12.813 5.228 13.963
919 2HB ASP 115 1HB ASP 115 14.196 6.280 14.256
920 H LEU 45 1H LEU 45 -4.904 4.528 -18.189
921 HA LEU 45 HA LEU 45 -3.130 3.782 -19.449
922 1HB LEU 45 2HB LEU 45 -3.846 6.136 -19.707
923 2HB LEU 45 1HB LEU 45 -2.619 6.623 -18.556
924 HG LEU 45 HG LEU 45 -0.910 5.631 -20.161
925 1HD1 LEU 45 1HD1 LEU 45 -3.379 5.533 -21.867
926 2HD1 LEU 45 2HD1 LEU 45 -2.191 4.263 -21.569
927 3HD1 LEU 45 3HD1 LEU 45 -1.762 5.657 -22.561
928 1HD2 LEU 45 1HD2 LEU 45 -0.806 7.905 -20.168
929 2HD2 LEU 45 2HD2 LEU 45 -2.520 8.095 -20.543
930 3HD2 LEU 45 3HD2 LEU 45 -1.381 7.651 -21.816
931 H SER 46 H SER 46 -1.604 5.883 -17.001
932 HA SER 46 HA SER 46 0.523 3.867 -16.719
933 1HB SER 46 2HB SER 46 0.739 6.772 -17.343
934 2HB SER 46 1HB SER 46 1.946 6.079 -16.260
935 HG SER 46 HG SER 46 2.742 5.810 -18.288
936 HA PRO 47 HA PRO 47 0.313 4.009 -12.332
937 1HB PRO 47 2HB PRO 47 3.047 5.198 -12.250
938 2HB PRO 47 1HB PRO 47 2.415 3.773 -11.418
939 1HG PRO 47 2HG PRO 47 4.004 3.506 -13.534
940 2HG PRO 47 1HG PRO 47 2.622 2.421 -13.293
941 1HD PRO 47 2HD PRO 47 2.933 4.710 -15.183
942 2HD PRO 47 1HD PRO 47 2.074 3.171 -15.402
943 H ASP 48 H ASP 48 1.960 6.885 -13.638
944 HA ASP 48 HA ASP 48 1.417 8.625 -11.525
945 1HB ASP 48 2HB ASP 48 3.000 9.056 -13.422
946 2HB ASP 48 1HB ASP 48 1.605 9.380 -14.449
947 H ASP 49 H ASP 49 -0.593 7.521 -14.143
948 HA ASP 49 HA ASP 49 -2.565 9.523 -14.071
949 1HB ASP 49 2HB ASP 49 -2.176 7.563 -15.761
950 2HB ASP 49 1HB ASP 49 -3.241 6.666 -14.684
951 H ILE 50 H ILE 50 -2.264 6.445 -12.352
952 HA ILE 50 HA ILE 50 -4.742 6.608 -11.002
953 HB ILE 50 HB ILE 50 -2.285 5.120 -10.085
954 1HG1 ILE 50 2HG1 ILE 50 -2.748 4.524 -12.395
955 2HG1 ILE 50 1HG1 ILE 50 -3.222 3.196 -11.340
956 1HG2 ILE 50 1HG2 ILE 50 -4.728 5.460 -8.847
957 2HG2 ILE 50 2HG2 ILE 50 -3.561 4.179 -8.517
958 3HG2 ILE 50 3HG2 ILE 50 -4.884 3.896 -9.647
959 1HD1 ILE 50 1HD1 ILE 50 -4.952 5.106 -12.852
960 2HD1 ILE 50 2HD1 ILE 50 -5.573 4.216 -11.462
961 3HD1 ILE 50 3HD1 ILE 50 -4.958 3.343 -12.866
962 H GLU 51 H GLU 51 -1.646 8.018 -10.428
963 HA GLU 51 HA GLU 51 -1.866 8.515 -7.662
964 1HB GLU 51 2HB GLU 51 -0.348 10.004 -9.811
965 2HB GLU 51 1HB GLU 51 -0.160 10.291 -8.086
966 1HG GLU 51 2HG GLU 51 0.569 7.961 -7.801
967 2HG GLU 51 1HG GLU 51 0.436 7.724 -9.543
968 H GLN 52 H GLN 52 -3.080 10.194 -10.482
969 HA GLN 52 HA GLN 52 -3.784 12.607 -9.166
970 1HB GLN 52 2HB GLN 52 -4.151 11.418 -11.810
971 2HB GLN 52 1HB GLN 52 -5.515 12.405 -11.306
972 1HG GLN 52 2HG GLN 52 -4.398 14.289 -11.643
973 2HG GLN 52 1HG GLN 52 -2.993 13.703 -10.753
974 1HE2 GLN 52 1HE2 GLN 52 -4.457 12.321 -13.644
975 2HE2 GLN 52 2HE2 GLN 52 -3.087 12.551 -14.670
976 H TRP 53 H TRP 53 -5.352 9.515 -9.528
977 HA TRP 53 HA TRP 53 -7.998 10.168 -9.040
978 1HB TRP 53 2HB TRP 53 -6.372 7.746 -8.282
979 2HB TRP 53 1HB TRP 53 -8.094 7.858 -7.930
980 HD1 TRP 53 HD1 TRP 53 -6.150 8.748 -11.178
981 HE1 TRP 53 HE1 TRP 53 -7.269 7.499 -13.130
982 HE3 TRP 53 HE3 TRP 53 -9.716 6.183 -8.563
983 HZ2 TRP 53 HZ2 TRP 53 -9.384 5.668 -13.510
984 HZ3 TRP 53 HZ3 TRP 53 -11.247 4.703 -9.796
985 HH2 TRP 53 HH2 TRP 53 -11.083 4.453 -12.219
986 H PHE 54 H PHE 54 -5.290 10.085 -6.854
987 HA PHE 54 HA PHE 54 -7.022 10.441 -4.530
988 1HB PHE 54 2HB PHE 54 -4.029 10.092 -4.776
989 2HB PHE 54 1HB PHE 54 -4.871 10.336 -3.249
990 HD1 PHE 54 HD1 PHE 54 -6.211 8.587 -2.272
991 HD2 PHE 54 HD2 PHE 54 -4.237 8.010 -5.998
992 HE1 PHE 54 HE1 PHE 54 -6.601 6.163 -2.099
993 HE2 PHE 54 HE2 PHE 54 -4.623 5.586 -5.833
994 HZ PHE 54 HZ PHE 54 -5.806 4.660 -3.880
995 H THR 55 H THR 55 -4.977 12.248 -6.671
996 HA THR 55 HA THR 55 -4.727 14.510 -4.906
997 HB THR 55 HB THR 55 -3.634 13.670 -7.457
998 HG1 THR 55 HG1 THR 55 -2.784 15.403 -5.395
999 1HG2 THR 55 1HG2 THR 55 -3.027 16.049 -8.091
1000 2HG2 THR 55 2HG2 THR 55 -4.418 16.533 -7.120
1001 3HG2 THR 55 3HG2 THR 55 -4.641 15.485 -8.520
1002 H GLU 56 H GLU 56 -6.330 13.940 -8.035
1003 HA GLU 56 HA GLU 56 -7.827 16.381 -7.864
1004 1HB GLU 56 2HB GLU 56 -8.112 14.018 -9.730
1005 2HB GLU 56 1HB GLU 56 -8.948 15.554 -9.912
1006 1HG GLU 56 2HG GLU 56 -6.776 16.684 -10.140
1007 2HG GLU 56 1HG GLU 56 -5.972 15.118 -10.028
1008 H ASP 57 H ASP 57 -10.055 16.619 -7.565
1009 HA ASP 57 HA ASP 57 -11.399 14.319 -6.303
1010 1HB ASP 57 2HB ASP 57 -12.596 16.003 -4.875
1011 2HB ASP 57 1HB ASP 57 -10.869 15.882 -4.559
1012 HA PRO 58 HA PRO 58 -13.931 15.766 -9.916
1013 1HB PRO 58 2HB PRO 58 -14.560 13.279 -10.802
1014 2HB PRO 58 1HB PRO 58 -13.074 14.114 -11.268
1015 1HG PRO 58 2HG PRO 58 -13.488 12.012 -9.178
1016 2HG PRO 58 1HG PRO 58 -12.180 12.167 -10.364
1017 1HD PRO 58 2HD PRO 58 -11.899 12.920 -7.777
1018 2HD PRO 58 1HD PRO 58 -11.057 13.739 -9.108
Start of MODEL 13
1 HT1 PRO 1 HT2 PRO 1 -13.835 -6.808 10.177
2 HT2 PRO 1 HT1 PRO 1 -12.624 -6.584 11.356
3 HA PRO 1 HA PRO 1 -13.207 -5.042 9.180
4 1HB PRO 1 2HB PRO 1 -13.368 -3.179 11.428
5 2HB PRO 1 1HB PRO 1 -14.327 -3.235 9.945
6 1HG PRO 1 2HG PRO 1 -15.321 -3.955 12.373
7 2HG PRO 1 1HG PRO 1 -15.889 -4.650 10.848
8 1HD PRO 1 2HD PRO 1 -14.067 -5.823 12.907
9 2HD PRO 1 1HD PRO 1 -15.283 -6.623 11.890
10 H SER 2 H SER 2 -11.793 -5.139 12.388
11 HA SER 2 HA SER 2 -9.453 -3.646 11.629
12 1HB SER 2 2HB SER 2 -8.758 -3.866 13.876
13 2HB SER 2 1HB SER 2 -10.515 -3.752 13.966
14 HG SER 2 HG SER 2 -9.711 -5.453 15.258
15 H HIS 3 H HIS 3 -7.566 -4.401 10.891
16 HA HIS 3 HA HIS 3 -5.945 -5.820 10.171
17 1HB HIS 3 2HB HIS 3 -7.119 -7.823 12.106
18 2HB HIS 3 1HB HIS 3 -5.484 -7.810 11.451
19 HD1 HIS 3 HD1 HIS 3 -7.693 -5.956 13.866
20 HD2 HIS 3 HD2 HIS 3 -3.693 -6.174 12.768
21 HE1 HIS 3 HE1 HIS 3 -6.460 -4.578 15.565
22 HE2 HIS 3 HE2 HIS 3 -4.026 -4.819 14.950
23 H SER 4 H SER 4 -8.472 -5.690 8.858
24 HA SER 4 HA SER 4 -8.159 -7.620 6.909
25 1HB SER 4 2HB SER 4 -10.141 -9.066 7.256
26 2HB SER 4 1HB SER 4 -8.917 -9.283 8.513
27 HG SER 4 HG SER 4 -10.427 -8.803 9.879
28 H GLY 5 H GLY 5 -9.431 -7.221 5.144
29 1HA GLY 5 2HA GLY 5 -11.912 -5.905 5.194
30 2HA GLY 5 1HA GLY 5 -10.648 -4.709 4.946
31 H ALA 6 H ALA 6 -12.763 -6.740 3.470
32 HA ALA 6 HA ALA 6 -11.560 -7.897 1.342
33 1HB ALA 6 1HB ALA 6 -13.872 -8.182 1.679
34 2HB ALA 6 2HB ALA 6 -13.666 -7.461 0.081
35 3HB ALA 6 3HB ALA 6 -14.186 -6.463 1.438
36 H ALA 7 H ALA 7 -9.867 -6.995 0.361
37 HA ALA 7 HA ALA 7 -10.234 -4.343 -0.883
38 1HB ALA 7 1HB ALA 7 -8.029 -3.826 -0.479
39 2HB ALA 7 2HB ALA 7 -7.531 -5.518 -0.428
40 3HB ALA 7 3HB ALA 7 -8.403 -4.813 0.935
41 H ILE 8 H ILE 8 -9.388 -3.989 -2.987
42 HA ILE 8 HA ILE 8 -9.272 -6.428 -4.604
43 HB ILE 8 HB ILE 8 -10.022 -3.610 -5.199
44 1HG1 ILE 8 2HG1 ILE 8 -11.352 -5.527 -6.804
45 2HG1 ILE 8 1HG1 ILE 8 -11.222 -6.208 -5.187
46 1HG2 ILE 8 1HG2 ILE 8 -8.264 -3.866 -6.798
47 2HG2 ILE 8 2HG2 ILE 8 -9.811 -4.012 -7.629
48 3HG2 ILE 8 3HG2 ILE 8 -8.867 -5.453 -7.271
49 1HD1 ILE 8 1HD1 ILE 8 -12.207 -4.122 -4.302
50 2HD1 ILE 8 2HD1 ILE 8 -13.276 -5.053 -5.351
51 3HD1 ILE 8 3HD1 ILE 8 -12.476 -3.604 -5.966
52 H PHE 9 H PHE 9 -7.427 -7.156 -5.341
53 HA PHE 9 HA PHE 9 -5.120 -5.299 -5.344
54 1HB PHE 9 2HB PHE 9 -5.007 -7.265 -3.769
55 2HB PHE 9 1HB PHE 9 -4.964 -8.304 -5.187
56 HD1 PHE 9 HD1 PHE 9 -2.867 -9.150 -5.554
57 HD2 PHE 9 HD2 PHE 9 -3.266 -5.120 -4.246
58 HE1 PHE 9 HE1 PHE 9 -0.427 -8.867 -5.693
59 HE2 PHE 9 HE2 PHE 9 -0.827 -4.828 -4.383
60 HZ PHE 9 HZ PHE 9 0.596 -6.704 -5.107
61 H GLU 10 H GLU 10 -4.088 -4.890 -7.190
62 HA GLU 10 HA GLU 10 -3.617 -4.856 -9.417
63 1HB GLU 10 2HB GLU 10 -4.018 -7.842 -9.225
64 2HB GLU 10 1HB GLU 10 -3.124 -6.987 -10.474
65 1HG GLU 10 2HG GLU 10 -1.519 -6.227 -8.777
66 2HG GLU 10 1HG GLU 10 -2.401 -7.145 -7.558
67 H LYS 11 H LYS 11 -6.355 -4.456 -8.646
68 HA LYS 11 HA LYS 11 -8.311 -4.052 -9.750
69 1HB LYS 11 2HB LYS 11 -7.273 -5.627 -12.107
70 2HB LYS 11 1HB LYS 11 -8.547 -4.418 -12.093
71 1HG LYS 11 2HG LYS 11 -6.863 -2.698 -11.538
72 2HG LYS 11 1HG LYS 11 -5.607 -3.930 -11.676
73 1HD LYS 11 2HD LYS 11 -5.515 -3.101 -13.793
74 2HD LYS 11 1HD LYS 11 -6.784 -4.305 -14.031
75 1HE LYS 11 2HE LYS 11 -7.081 -1.338 -13.641
76 2HE LYS 11 1HE LYS 11 -7.559 -2.306 -15.034
77 1HZ LYS 11 1HZ LYS 11 -8.776 -2.461 -12.330
78 2HZ LYS 11 2HZ LYS 11 -9.240 -3.377 -13.675
79 3HZ LYS 11 3HZ LYS 11 -9.462 -1.701 -13.677
80 H VAL 12 H VAL 12 -7.111 -6.892 -8.728
81 HA VAL 12 HA VAL 12 -9.467 -8.465 -9.446
82 HB VAL 12 HB VAL 12 -6.803 -9.260 -8.275
83 1HG1 VAL 12 1HG1 VAL 12 -8.424 -10.542 -7.049
84 2HG1 VAL 12 2HG1 VAL 12 -7.704 -11.590 -8.270
85 3HG1 VAL 12 3HG1 VAL 12 -9.312 -10.917 -8.524
86 1HG2 VAL 12 1HG2 VAL 12 -6.854 -10.764 -10.279
87 2HG2 VAL 12 2HG2 VAL 12 -6.770 -9.033 -10.634
88 3HG2 VAL 12 3HG2 VAL 12 -8.306 -9.898 -10.786
89 H SER 13 H SER 13 -10.597 -9.571 -7.775
90 HA SER 13 HA SER 13 -10.704 -7.902 -5.379
91 1HB SER 13 2HB SER 13 -12.720 -10.012 -5.775
92 2HB SER 13 1HB SER 13 -12.901 -8.342 -5.246
93 HG SER 13 HG SER 13 -12.873 -9.407 -7.820
94 H GLY 14 H GLY 14 -10.792 -8.703 -3.313
95 1HA GLY 14 2HA GLY 14 -10.656 -11.347 -2.466
96 2HA GLY 14 1HA GLY 14 -8.999 -10.796 -2.703
97 H ILE 15 H ILE 15 -9.368 -11.395 -0.193
98 HA ILE 15 HA ILE 15 -10.176 -8.902 1.121
99 HB ILE 15 HB ILE 15 -9.953 -11.669 2.309
100 1HG1 ILE 15 2HG1 ILE 15 -12.198 -11.831 2.125
101 2HG1 ILE 15 1HG1 ILE 15 -12.438 -10.193 2.715
102 1HG2 ILE 15 1HG2 ILE 15 -9.144 -10.057 3.938
103 2HG2 ILE 15 2HG2 ILE 15 -10.748 -10.622 4.413
104 3HG2 ILE 15 3HG2 ILE 15 -10.563 -9.037 3.660
105 1HD1 ILE 15 1HD1 ILE 15 -13.403 -10.361 0.558
106 2HD1 ILE 15 2HD1 ILE 15 -11.928 -11.055 -0.117
107 3HD1 ILE 15 3HD1 ILE 15 -11.951 -9.374 0.420
108 H ILE 16 H ILE 16 -8.850 -7.819 2.445
109 HA ILE 16 HA ILE 16 -6.038 -8.658 2.361
110 HB ILE 16 HB ILE 16 -7.319 -6.145 1.854
111 1HG1 ILE 16 2HG1 ILE 16 -4.388 -6.875 1.964
112 2HG1 ILE 16 1HG1 ILE 16 -5.449 -7.112 0.578
113 1HG2 ILE 16 1HG2 ILE 16 -7.134 -5.570 4.156
114 2HG2 ILE 16 2HG2 ILE 16 -5.942 -4.653 3.240
115 3HG2 ILE 16 3HG2 ILE 16 -5.438 -6.051 4.192
116 1HD1 ILE 16 1HD1 ILE 16 -3.899 -5.073 0.610
117 2HD1 ILE 16 2HD1 ILE 16 -5.053 -4.395 1.759
118 3HD1 ILE 16 3HD1 ILE 16 -5.581 -4.840 0.137
119 H ALA 17 H ALA 17 -5.297 -9.480 4.188
120 HA ALA 17 HA ALA 17 -6.533 -8.609 6.715
121 1HB ALA 17 1HB ALA 17 -5.333 -11.323 6.226
122 2HB ALA 17 2HB ALA 17 -7.042 -10.954 5.965
123 3HB ALA 17 3HB ALA 17 -6.339 -10.802 7.581
124 H ILE 18 H ILE 18 -5.257 -8.045 8.380
125 HA ILE 18 HA ILE 18 -2.362 -7.992 7.861
126 HB ILE 18 HB ILE 18 -4.103 -6.111 9.453
127 1HG1 ILE 18 2HG1 ILE 18 -2.375 -5.583 7.032
128 2HG1 ILE 18 1HG1 ILE 18 -4.095 -5.944 6.941
129 1HG2 ILE 18 1HG2 ILE 18 -1.287 -6.662 9.714
130 2HG2 ILE 18 2HG2 ILE 18 -2.326 -5.611 10.678
131 3HG2 ILE 18 3HG2 ILE 18 -1.563 -4.993 9.212
132 1HD1 ILE 18 1HD1 ILE 18 -4.660 -3.942 8.058
133 2HD1 ILE 18 2HD1 ILE 18 -3.478 -3.522 6.818
134 3HD1 ILE 18 3HD1 ILE 18 -2.983 -3.639 8.507
135 H ASN 19 H ASN 19 -0.945 -8.699 9.393
136 HA ASN 19 HA ASN 19 -2.078 -9.756 11.898
137 1HB ASN 19 2HB ASN 19 -1.537 -11.533 10.172
138 2HB ASN 19 1HB ASN 19 0.155 -11.079 10.355
139 1HD2 ASN 19 1HD2 ASN 19 0.343 -13.355 10.976
140 2HD2 ASN 19 2HD2 ASN 19 0.061 -13.787 12.624
141 H GLU 20 H GLU 20 -1.265 -8.644 13.539
142 HA GLU 20 HA GLU 20 1.304 -7.321 13.297
143 1HB GLU 20 2HB GLU 20 -0.701 -7.332 15.560
144 2HB GLU 20 1HB GLU 20 0.745 -6.333 15.492
145 1HG GLU 20 2HG GLU 20 -0.133 -5.246 13.466
146 2HG GLU 20 1HG GLU 20 -1.602 -6.210 13.612
147 H ASP 21 H ASP 21 0.574 -10.382 13.914
148 HA ASP 21 HA ASP 21 2.090 -10.840 16.316
149 1HB ASP 21 2HB ASP 21 1.003 -12.727 14.218
150 2HB ASP 21 1HB ASP 21 1.806 -13.248 15.697
151 H VAL 22 H VAL 22 2.773 -10.407 13.005
152 HA VAL 22 HA VAL 22 5.366 -11.748 13.231
153 HB VAL 22 HB VAL 22 5.288 -10.795 10.666
154 1HG1 VAL 22 1HG1 VAL 22 4.012 -13.422 11.076
155 2HG1 VAL 22 2HG1 VAL 22 5.580 -13.183 11.848
156 3HG1 VAL 22 3HG1 VAL 22 5.414 -12.978 10.103
157 1HG2 VAL 22 1HG2 VAL 22 2.492 -11.749 11.244
158 2HG2 VAL 22 2HG2 VAL 22 3.140 -11.179 9.707
159 3HG2 VAL 22 3HG2 VAL 22 2.929 -10.051 11.048
160 H SER 23 H SER 23 7.306 -10.660 12.660
161 HA SER 23 HA SER 23 7.135 -7.725 12.696
162 1HB SER 23 2HB SER 23 7.839 -8.096 14.875
163 2HB SER 23 1HB SER 23 8.765 -9.533 14.442
164 HG SER 23 HG SER 23 10.434 -8.290 14.252
165 HA PRO 24 HA PRO 24 7.631 -6.103 11.700
166 1HB PRO 24 2HB PRO 24 7.292 -5.158 9.188
167 2HB PRO 24 1HB PRO 24 8.750 -4.839 10.136
168 1HG PRO 24 2HG PRO 24 8.291 -6.852 7.972
169 2HG PRO 24 1HG PRO 24 9.703 -5.819 8.260
170 1HD PRO 24 2HD PRO 24 9.598 -8.439 8.975
171 2HD PRO 24 1HD PRO 24 10.567 -7.235 9.843
172 H ALA 25 H ALA 25 5.424 -5.801 11.620
173 HA ALA 25 HA ALA 25 3.711 -7.891 11.215
174 1HB ALA 25 1HB ALA 25 2.921 -5.027 10.711
175 2HB ALA 25 2HB ALA 25 3.186 -5.696 12.321
176 3HB ALA 25 3HB ALA 25 1.904 -6.344 11.299
177 H GLU 26 H GLU 26 2.624 -8.802 9.529
178 HA GLU 26 HA GLU 26 3.182 -7.678 6.864
179 1HB GLU 26 2HB GLU 26 2.809 -10.572 7.648
180 2HB GLU 26 1HB GLU 26 3.060 -9.988 6.008
181 1HG GLU 26 2HG GLU 26 5.254 -9.105 6.686
182 2HG GLU 26 1HG GLU 26 5.002 -9.773 8.297
183 H LEU 27 H LEU 27 1.631 -7.901 5.247
184 HA LEU 27 HA LEU 27 -1.129 -8.331 6.184
185 1HB LEU 27 2HB LEU 27 -0.911 -5.997 5.827
186 2HB LEU 27 1HB LEU 27 0.017 -6.228 4.359
187 HG LEU 27 HG LEU 27 -2.832 -7.150 4.479
188 1HD1 LEU 27 1HD1 LEU 27 -3.724 -5.093 4.276
189 2HD1 LEU 27 2HD1 LEU 27 -2.336 -4.460 3.390
190 3HD1 LEU 27 3HD1 LEU 27 -2.274 -4.597 5.147
191 1HD2 LEU 27 1HD2 LEU 27 -0.789 -6.554 2.409
192 2HD2 LEU 27 2HD2 LEU 27 -2.475 -6.214 2.018
193 3HD2 LEU 27 3HD2 LEU 27 -1.989 -7.845 2.482
194 H THR 28 H THR 28 -2.274 -9.796 5.027
195 HA THR 28 HA THR 28 -1.102 -10.674 2.471
196 HB THR 28 HB THR 28 -2.611 -12.393 4.441
197 HG1 THR 28 HG1 THR 28 0.167 -12.136 3.950
198 1HG2 THR 28 1HG2 THR 28 -2.829 -13.389 2.324
199 2HG2 THR 28 2HG2 THR 28 -1.508 -14.239 3.127
200 3HG2 THR 28 3HG2 THR 28 -1.157 -13.027 1.896
201 H TRP 29 H TRP 29 -2.332 -10.561 0.749
202 HA TRP 29 HA TRP 29 -5.179 -9.996 1.036
203 1HB TRP 29 2HB TRP 29 -3.940 -8.368 -0.274
204 2HB TRP 29 1HB TRP 29 -3.260 -9.643 -1.281
205 HD1 TRP 29 HD1 TRP 29 -6.701 -8.141 -0.451
206 HE1 TRP 29 HE1 TRP 29 -8.189 -8.309 -2.547
207 HE3 TRP 29 HE3 TRP 29 -3.493 -10.685 -3.489
208 HZ2 TRP 29 HZ2 TRP 29 -8.015 -9.400 -5.152
209 HZ3 TRP 29 HZ3 TRP 29 -4.226 -11.259 -5.766
210 HH2 TRP 29 HH2 TRP 29 -6.438 -10.633 -6.578
211 H ARG 30 H ARG 30 -6.630 -11.519 0.520
212 HA ARG 30 HA ARG 30 -5.708 -13.794 -1.120
213 1HB ARG 30 2HB ARG 30 -6.022 -14.461 1.215
214 2HB ARG 30 1HB ARG 30 -7.672 -13.853 1.177
215 1HG ARG 30 2HG ARG 30 -8.436 -15.603 -0.089
216 2HG ARG 30 1HG ARG 30 -6.854 -15.915 -0.807
217 1HD ARG 30 2HD ARG 30 -6.057 -16.900 1.226
218 2HD ARG 30 1HD ARG 30 -7.516 -16.418 2.090
219 HE ARG 30 HE ARG 30 -8.472 -17.981 0.105
220 1HH1 ARG 30 1HH1 ARG 30 -5.973 -18.439 2.498
221 2HH1 ARG 30 2HH1 ARG 30 -6.199 -20.154 2.587
222 1HH2 ARG 30 1HH2 ARG 30 -8.771 -20.235 0.221
223 2HH2 ARG 30 2HH2 ARG 30 -7.787 -21.174 1.294
224 H SER 31 H SER 31 -6.670 -13.830 -3.027
225 HA SER 31 HA SER 31 -8.693 -12.247 -3.939
226 1HB SER 31 2HB SER 31 -9.153 -14.362 -5.506
227 2HB SER 31 1HB SER 31 -7.700 -13.374 -5.671
228 HG SER 31 HG SER 31 -7.772 -15.626 -3.969
229 H THR 32 H THR 32 -10.926 -12.936 -4.677
230 HA THR 32 HA THR 32 -12.425 -13.763 -2.397
231 HB THR 32 HB THR 32 -14.003 -13.759 -4.795
232 HG1 THR 32 HG1 THR 32 -12.359 -11.474 -4.470
233 1HG2 THR 32 1HG2 THR 32 -13.806 -11.658 -2.654
234 2HG2 THR 32 2HG2 THR 32 -14.806 -13.108 -2.562
235 3HG2 THR 32 3HG2 THR 32 -15.131 -11.890 -3.795
236 H ASP 33 H ASP 33 -11.624 -15.103 -5.514
237 HA ASP 33 HA ASP 33 -13.048 -17.537 -5.031
238 1HB ASP 33 2HB ASP 33 -12.869 -16.573 -7.307
239 2HB ASP 33 1HB ASP 33 -11.134 -16.865 -7.267
240 H GLY 34 H GLY 34 -9.898 -16.329 -4.459
241 1HA GLY 34 2HA GLY 34 -8.260 -17.340 -3.135
242 2HA GLY 34 1HA GLY 34 -9.118 -18.865 -3.280
243 H ASP 35 H ASP 35 -8.180 -16.826 -5.984
244 HA ASP 35 HA ASP 35 -6.485 -19.019 -6.940
245 1HB ASP 35 2HB ASP 35 -8.366 -18.334 -8.393
246 2HB ASP 35 1HB ASP 35 -7.675 -16.718 -8.498
247 H LYS 36 H LYS 36 -6.351 -15.784 -5.808
248 HA LYS 36 HA LYS 36 -3.490 -15.712 -6.462
249 1HB LYS 36 2HB LYS 36 -5.535 -13.866 -7.377
250 2HB LYS 36 1HB LYS 36 -4.266 -13.046 -6.481
251 1HG LYS 36 2HG LYS 36 -2.977 -13.096 -8.271
252 2HG LYS 36 1HG LYS 36 -2.999 -14.859 -8.231
253 1HD LYS 36 2HD LYS 36 -4.209 -14.905 -10.092
254 2HD LYS 36 1HD LYS 36 -5.471 -13.943 -9.320
255 1HE LYS 36 2HE LYS 36 -3.896 -11.942 -9.836
256 2HE LYS 36 1HE LYS 36 -3.169 -13.044 -11.005
257 1HZ LYS 36 1HZ LYS 36 -5.151 -11.490 -11.664
258 2HZ LYS 36 2HZ LYS 36 -6.083 -12.741 -11.009
259 3HZ LYS 36 3HZ LYS 36 -5.030 -13.056 -12.295
260 H VAL 37 H VAL 37 -2.165 -14.776 -4.944
261 HA VAL 37 HA VAL 37 -3.396 -13.635 -2.546
262 HB VAL 37 HB VAL 37 -1.316 -15.822 -2.428
263 1HG1 VAL 37 1HG1 VAL 37 -1.495 -15.686 -0.059
264 2HG1 VAL 37 2HG1 VAL 37 -2.844 -14.555 -0.163
265 3HG1 VAL 37 3HG1 VAL 37 -1.225 -14.049 -0.652
266 1HG2 VAL 37 1HG2 VAL 37 -3.480 -16.758 -1.072
267 2HG2 VAL 37 2HG2 VAL 37 -3.093 -17.159 -2.746
268 3HG2 VAL 37 3HG2 VAL 37 -4.250 -15.874 -2.392
269 H HIS 38 H HIS 38 -2.209 -12.054 -1.566
270 HA HIS 38 HA HIS 38 0.519 -11.578 -2.538
271 1HB HIS 38 2HB HIS 38 -1.066 -10.105 -3.772
272 2HB HIS 38 1HB HIS 38 -1.546 -9.400 -2.233
273 HD1 HIS 38 HD1 HIS 38 1.732 -9.932 -4.105
274 HD2 HIS 38 HD2 HIS 38 -0.191 -7.133 -1.711
275 HE1 HIS 38 HE1 HIS 38 3.305 -7.975 -3.964
276 HE2 HIS 38 HE2 HIS 38 2.158 -6.330 -2.440
277 H THR 39 H THR 39 1.904 -10.583 -1.105
278 HA THR 39 HA THR 39 0.871 -10.149 1.617
279 HB THR 39 HB THR 39 3.467 -11.533 0.919
280 HG1 THR 39 HG1 THR 39 1.020 -12.547 1.928
281 1HG2 THR 39 1HG2 THR 39 2.152 -11.149 3.598
282 2HG2 THR 39 2HG2 THR 39 3.608 -10.326 3.033
283 3HG2 THR 39 3HG2 THR 39 3.619 -12.073 3.275
284 H VAL 40 H VAL 40 1.611 -8.370 2.669
285 HA VAL 40 HA VAL 40 3.939 -6.951 1.583
286 HB VAL 40 HB VAL 40 1.295 -5.609 2.166
287 1HG1 VAL 40 1HG1 VAL 40 2.569 -3.842 2.678
288 2HG1 VAL 40 2HG1 VAL 40 2.940 -3.760 0.954
289 3HG1 VAL 40 3HG1 VAL 40 4.034 -4.606 2.054
290 1HG2 VAL 40 1HG2 VAL 40 1.281 -5.016 -0.192
291 2HG2 VAL 40 2HG2 VAL 40 1.328 -6.768 0.009
292 3HG2 VAL 40 3HG2 VAL 40 2.793 -5.893 -0.436
293 H VAL 41 H VAL 41 5.146 -5.884 3.057
294 HA VAL 41 HA VAL 41 4.531 -6.353 5.867
295 HB VAL 41 HB VAL 41 6.772 -6.869 5.299
296 1HG1 VAL 41 1HG1 VAL 41 8.254 -5.036 4.286
297 2HG1 VAL 41 2HG1 VAL 41 6.730 -4.285 3.804
298 3HG1 VAL 41 3HG1 VAL 41 7.137 -5.900 3.232
299 1HG2 VAL 41 1HG2 VAL 41 8.126 -5.175 6.558
300 2HG2 VAL 41 2HG2 VAL 41 6.717 -5.795 7.414
301 3HG2 VAL 41 3HG2 VAL 41 6.664 -4.196 6.675
302 H LEU 42 H LEU 42 3.405 -4.854 6.963
303 HA LEU 42 HA LEU 42 2.910 -2.275 5.897
304 1HB LEU 42 2HB LEU 42 2.314 -3.020 8.726
305 2HB LEU 42 1HB LEU 42 1.398 -2.000 7.635
306 HG LEU 42 HG LEU 42 0.069 -3.855 7.716
307 1HD1 LEU 42 1HD1 LEU 42 -0.067 -4.302 5.561
308 2HD1 LEU 42 2HD1 LEU 42 1.390 -5.291 5.630
309 3HD1 LEU 42 3HD1 LEU 42 1.514 -3.556 5.346
310 1HD2 LEU 42 1HD2 LEU 42 2.255 -5.095 8.831
311 2HD2 LEU 42 2HD2 LEU 42 1.918 -6.048 7.387
312 3HD2 LEU 42 3HD2 LEU 42 0.658 -5.801 8.594
313 H SER 43 H SER 43 5.009 -3.484 8.459
314 HA SER 43 HA SER 43 5.615 -1.179 9.812
315 1HB SER 43 2HB SER 43 7.679 -3.254 9.082
316 2HB SER 43 1HB SER 43 7.657 -2.216 10.508
317 HG SER 43 HG SER 43 6.846 -4.116 11.204
318 H THR 44 H THR 44 6.552 -2.019 6.592
319 HA THR 44 HA THR 44 8.598 0.037 6.477
320 HB THR 44 HB THR 44 9.332 -0.942 4.570
321 HG1 THR 44 HG1 THR 44 6.680 -1.583 3.807
322 1HG2 THR 44 1HG2 THR 44 8.965 -3.272 4.402
323 2HG2 THR 44 2HG2 THR 44 7.426 -3.151 5.252
324 3HG2 THR 44 3HG2 THR 44 8.934 -2.855 6.115
325 H ILE 45 H ILE 45 5.253 -0.303 5.764
326 HA ILE 45 HA ILE 45 4.816 1.540 3.775
327 HB ILE 45 HB ILE 45 3.101 1.110 6.224
328 1HG1 ILE 45 2HG1 ILE 45 3.589 -0.935 4.924
329 2HG1 ILE 45 1HG1 ILE 45 1.887 -0.485 4.836
330 1HG2 ILE 45 1HG2 ILE 45 1.337 1.774 4.350
331 2HG2 ILE 45 2HG2 ILE 45 2.717 2.684 3.739
332 3HG2 ILE 45 3HG2 ILE 45 2.119 2.979 5.372
333 1HD1 ILE 45 1HD1 ILE 45 2.907 0.780 2.658
334 2HD1 ILE 45 2HD1 ILE 45 2.150 -0.814 2.644
335 3HD1 ILE 45 3HD1 ILE 45 3.906 -0.672 2.734
336 H ASP 46 H ASP 46 6.067 3.328 3.767
337 HA ASP 46 HA ASP 46 6.514 4.964 6.048
338 1HB ASP 46 2HB ASP 46 7.918 4.682 3.859
339 2HB ASP 46 1HB ASP 46 6.874 5.962 3.247
340 H LYS 47 H LYS 47 3.983 4.861 3.649
341 HA LYS 47 HA LYS 47 2.632 7.001 5.044
342 1HB LYS 47 2HB LYS 47 3.451 7.340 2.154
343 2HB LYS 47 1HB LYS 47 2.259 8.344 2.967
344 1HG LYS 47 2HG LYS 47 4.010 9.004 4.598
345 2HG LYS 47 1HG LYS 47 5.182 8.099 3.638
346 1HD LYS 47 2HD LYS 47 4.591 9.517 1.684
347 2HD LYS 47 1HD LYS 47 3.553 10.475 2.742
348 1HE LYS 47 2HE LYS 47 6.378 10.049 3.563
349 2HE LYS 47 1HE LYS 47 6.062 11.165 2.233
350 1HZ LYS 47 1HZ LYS 47 4.721 11.343 4.872
351 2HZ LYS 47 2HZ LYS 47 4.691 12.487 3.626
352 3HZ LYS 47 3HZ LYS 47 6.124 12.203 4.479
353 H LEU 48 H LEU 48 0.471 6.868 4.914
354 HA LEU 48 HA LEU 48 -0.632 4.754 3.192
355 1HB LEU 48 2HB LEU 48 -1.496 5.893 5.837
356 2HB LEU 48 1HB LEU 48 -2.620 5.005 4.825
357 HG LEU 48 HG LEU 48 -0.005 3.759 5.580
358 1HD1 LEU 48 1HD1 LEU 48 -0.938 2.872 7.595
359 2HD1 LEU 48 2HD1 LEU 48 -2.489 3.648 7.281
360 3HD1 LEU 48 3HD1 LEU 48 -1.070 4.628 7.654
361 1HD2 LEU 48 1HD2 LEU 48 -0.922 1.862 4.803
362 2HD2 LEU 48 2HD2 LEU 48 -2.031 2.948 3.965
363 3HD2 LEU 48 3HD2 LEU 48 -2.501 2.219 5.502
364 H GLN 49 H GLN 49 -1.860 5.362 1.529
365 HA GLN 49 HA GLN 49 -3.010 8.075 1.574
366 1HB GLN 49 2HB GLN 49 -1.896 6.440 -0.698
367 2HB GLN 49 1HB GLN 49 -2.947 7.822 -0.975
368 1HG GLN 49 2HG GLN 49 -0.283 7.856 0.423
369 2HG GLN 49 1HG GLN 49 -0.628 8.459 -1.198
370 1HE2 GLN 49 1HE2 GLN 49 0.126 9.541 1.661
371 2HE2 GLN 49 2HE2 GLN 49 -0.823 10.981 1.760
372 H ALA 50 H ALA 50 -5.145 8.305 1.277
373 HA ALA 50 HA ALA 50 -6.692 6.082 0.180
374 1HB ALA 50 1HB ALA 50 -7.251 7.333 2.867
375 2HB ALA 50 2HB ALA 50 -6.716 5.679 2.567
376 3HB ALA 50 3HB ALA 50 -8.313 6.200 2.032
377 H THR 51 H THR 51 -8.641 6.674 -0.757
378 HA THR 51 HA THR 51 -8.796 9.401 -1.624
379 HB THR 51 HB THR 51 -10.753 8.653 -2.914
380 HG1 THR 51 HG1 THR 51 -10.361 6.149 -1.645
381 1HG2 THR 51 1HG2 THR 51 -8.952 8.154 -4.208
382 2HG2 THR 51 2HG2 THR 51 -9.615 6.536 -3.977
383 3HG2 THR 51 3HG2 THR 51 -8.243 7.075 -3.007
384 HA PRO 52 HA PRO 52 -11.361 10.835 1.726
385 1HB PRO 52 2HB PRO 52 -12.184 13.168 0.584
386 2HB PRO 52 1HB PRO 52 -10.584 12.947 1.298
387 1HG PRO 52 2HG PRO 52 -11.410 12.818 -1.576
388 2HG PRO 52 1HG PRO 52 -9.982 13.584 -0.856
389 1HD PRO 52 2HD PRO 52 -9.858 11.179 -2.068
390 2HD PRO 52 1HD PRO 52 -8.846 11.581 -0.668
391 H ALA 53 H ALA 53 -13.585 11.308 2.187
392 HA ALA 53 HA ALA 53 -15.419 9.695 0.821
393 1HB ALA 53 1HB ALA 53 -17.129 10.767 2.221
394 2HB ALA 53 2HB ALA 53 -15.952 11.985 2.710
395 3HB ALA 53 3HB ALA 53 -15.711 10.294 3.156
396 H SER 54 H SER 54 -14.865 13.192 0.682
397 HA SER 54 HA SER 54 -17.014 13.845 -0.991
398 1HB SER 54 2HB SER 54 -15.849 15.924 -1.429
399 2HB SER 54 1HB SER 54 -15.626 15.496 0.267
400 HG SER 54 HG SER 54 -13.784 15.448 -1.845
401 H SER 55 H SER 55 -13.959 12.385 -1.653
402 HA SER 55 HA SER 55 -13.972 12.886 -4.465
403 1HB SER 55 2HB SER 55 -12.277 11.324 -2.577
404 2HB SER 55 1HB SER 55 -12.210 10.908 -4.289
405 HG SER 55 HG SER 55 -11.562 12.993 -4.749
406 H GLU 56 H GLU 56 -15.190 11.895 -5.902
407 HA GLU 56 HA GLU 56 -16.947 9.804 -5.339
408 1HB GLU 56 2HB GLU 56 -15.786 10.663 -7.994
409 2HB GLU 56 1HB GLU 56 -17.159 9.581 -7.809
410 1HG GLU 56 2HG GLU 56 -18.393 11.378 -6.670
411 2HG GLU 56 1HG GLU 56 -17.025 12.458 -6.934
412 H LYS 57 H LYS 57 -13.587 9.767 -5.930
413 HA LYS 57 HA LYS 57 -13.319 7.176 -7.045
414 1HB LYS 57 2HB LYS 57 -11.384 8.860 -5.450
415 2HB LYS 57 1HB LYS 57 -10.953 7.353 -6.243
416 1HG LYS 57 2HG LYS 57 -12.029 9.785 -7.653
417 2HG LYS 57 1HG LYS 57 -10.322 9.354 -7.536
418 1HD LYS 57 2HD LYS 57 -10.977 7.129 -8.590
419 2HD LYS 57 1HD LYS 57 -12.524 7.890 -8.969
420 1HE LYS 57 2HE LYS 57 -9.863 9.042 -9.781
421 2HE LYS 57 1HE LYS 57 -10.802 7.955 -10.803
422 1HZ LYS 57 1HZ LYS 57 -11.664 10.615 -9.801
423 2HZ LYS 57 2HZ LYS 57 -12.638 9.562 -10.697
424 3HZ LYS 57 3HZ LYS 57 -11.249 10.228 -11.395
425 H MET 58 H MET 58 -12.494 5.269 -6.009
426 HA MET 58 HA MET 58 -12.881 5.082 -3.116
427 1HB MET 58 2HB MET 58 -14.347 3.435 -5.173
428 2HB MET 58 1HB MET 58 -14.173 2.930 -3.499
429 1HG MET 58 2HG MET 58 -15.224 5.165 -2.886
430 2HG MET 58 1HG MET 58 -15.656 5.297 -4.590
431 1HE MET 58 1HE MET 58 -16.967 2.406 -1.429
432 2HE MET 58 2HE MET 58 -15.314 2.803 -1.905
433 3HE MET 58 3HE MET 58 -16.167 1.475 -2.696
434 H MET 59 H MET 59 -10.544 4.919 -3.210
435 HA MET 59 HA MET 59 -9.677 2.190 -3.345
436 1HB MET 59 2HB MET 59 -9.508 2.736 -5.704
437 2HB MET 59 1HB MET 59 -8.583 4.183 -5.334
438 1HG MET 59 2HG MET 59 -7.518 1.580 -4.397
439 2HG MET 59 1HG MET 59 -7.436 1.939 -6.121
440 1HE MET 59 1HE MET 59 -6.713 5.543 -5.575
441 2HE MET 59 2HE MET 59 -6.951 4.328 -6.832
442 3HE MET 59 3HE MET 59 -5.334 4.950 -6.501
443 H LEU 60 H LEU 60 -7.684 1.832 -2.345
444 HA LEU 60 HA LEU 60 -6.577 4.159 -0.912
445 1HB LEU 60 2HB LEU 60 -7.763 1.933 0.176
446 2HB LEU 60 1HB LEU 60 -6.062 1.510 0.240
447 HG LEU 60 HG LEU 60 -6.036 4.054 1.251
448 1HD1 LEU 60 1HD1 LEU 60 -8.391 4.324 1.343
449 2HD1 LEU 60 2HD1 LEU 60 -7.844 4.017 2.991
450 3HD1 LEU 60 3HD1 LEU 60 -8.611 2.730 2.063
451 1HD2 LEU 60 1HD2 LEU 60 -6.539 1.933 3.226
452 2HD2 LEU 60 2HD2 LEU 60 -5.173 3.037 3.065
453 3HD2 LEU 60 3HD2 LEU 60 -5.265 1.594 2.054
454 H ARG 61 H ARG 61 -4.287 4.168 -0.529
455 HA ARG 61 HA ARG 61 -2.728 2.274 -2.140
456 1HB ARG 61 2HB ARG 61 -3.210 4.417 -3.407
457 2HB ARG 61 1HB ARG 61 -2.214 5.243 -2.219
458 1HG ARG 61 2HG ARG 61 -0.354 3.671 -2.842
459 2HG ARG 61 1HG ARG 61 -1.370 3.130 -4.180
460 1HD ARG 61 2HD ARG 61 -1.518 5.547 -4.886
461 2HD ARG 61 1HD ARG 61 -0.264 5.886 -3.696
462 HE ARG 61 HE ARG 61 0.568 3.796 -5.397
463 1HH1 ARG 61 1HH1 ARG 61 0.040 7.246 -5.395
464 2HH1 ARG 61 2HH1 ARG 61 1.216 7.552 -6.629
465 1HH2 ARG 61 1HH2 ARG 61 2.115 4.196 -7.020
466 2HH2 ARG 61 2HH2 ARG 61 2.393 5.821 -7.552
467 H LEU 62 H LEU 62 -0.851 1.640 -1.264
468 HA LEU 62 HA LEU 62 -0.058 2.818 1.320
469 1HB LEU 62 2HB LEU 62 0.481 0.123 0.070
470 2HB LEU 62 1HB LEU 62 1.261 0.673 1.535
471 HG LEU 62 HG LEU 62 -0.587 0.321 2.823
472 1HD1 LEU 62 1HD1 LEU 62 -2.384 0.691 0.430
473 2HD1 LEU 62 2HD1 LEU 62 -1.996 1.941 1.613
474 3HD1 LEU 62 3HD1 LEU 62 -2.889 0.503 2.109
475 1HD2 LEU 62 1HD2 LEU 62 -1.747 -1.715 2.114
476 2HD2 LEU 62 2HD2 LEU 62 -0.011 -1.817 1.814
477 3HD2 LEU 62 3HD2 LEU 62 -1.120 -1.498 0.479
478 H ILE 63 H ILE 63 2.039 3.458 1.701
479 HA ILE 63 HA ILE 63 3.760 3.646 -0.688
480 HB ILE 63 HB ILE 63 3.859 5.527 1.658
481 1HG1 ILE 63 2HG1 ILE 63 1.652 5.358 0.101
482 2HG1 ILE 63 1HG1 ILE 63 2.223 6.864 0.802
483 1HG2 ILE 63 1HG2 ILE 63 4.848 6.962 -0.291
484 2HG2 ILE 63 2HG2 ILE 63 5.126 5.385 -1.034
485 3HG2 ILE 63 3HG2 ILE 63 5.844 5.762 0.533
486 1HD1 ILE 63 1HD1 ILE 63 3.223 7.527 -1.236
487 2HD1 ILE 63 2HD1 ILE 63 1.593 6.965 -1.610
488 3HD1 ILE 63 3HD1 ILE 63 2.983 5.931 -1.948
489 H GLY 64 H GLY 64 5.610 2.552 -0.576
490 1HA GLY 64 2HA GLY 64 6.500 1.539 2.018
491 2HA GLY 64 1HA GLY 64 7.056 0.991 0.444
492 H LYS 65 H LYS 65 8.642 1.744 2.770
493 HA LYS 65 HA LYS 65 9.787 4.312 2.339
494 1HB LYS 65 2HB LYS 65 10.579 1.903 3.943
495 2HB LYS 65 1HB LYS 65 11.694 3.251 3.756
496 1HG LYS 65 2HG LYS 65 9.985 4.758 4.695
497 2HG LYS 65 1HG LYS 65 8.933 3.364 4.950
498 1HD LYS 65 2HD LYS 65 10.626 2.367 6.419
499 2HD LYS 65 1HD LYS 65 11.661 3.776 6.174
500 1HE LYS 65 2HE LYS 65 9.533 5.078 6.994
501 2HE LYS 65 1HE LYS 65 9.121 3.522 7.716
502 1HZ LYS 65 1HZ LYS 65 10.765 3.686 9.224
503 2HZ LYS 65 2HZ LYS 65 10.615 5.345 8.931
504 3HZ LYS 65 3HZ LYS 65 11.835 4.459 8.165
505 H VAL 66 H VAL 66 11.494 4.939 1.143
506 HA VAL 66 HA VAL 66 12.329 3.291 -1.013
507 HB VAL 66 HB VAL 66 12.263 5.555 -1.518
508 1HG1 VAL 66 1HG1 VAL 66 12.201 6.771 0.416
509 2HG1 VAL 66 2HG1 VAL 66 13.824 7.167 -0.151
510 3HG1 VAL 66 3HG1 VAL 66 13.602 5.947 1.103
511 1HG2 VAL 66 1HG2 VAL 66 14.234 4.502 -2.481
512 2HG2 VAL 66 2HG2 VAL 66 15.183 4.982 -1.072
513 3HG2 VAL 66 3HG2 VAL 66 14.521 6.211 -2.148
514 H ASP 67 H ASP 67 14.539 2.826 -1.558
515 HA ASP 67 HA ASP 67 16.114 2.057 0.816
516 1HB ASP 67 2HB ASP 67 15.261 0.549 -1.495
517 2HB ASP 67 1HB ASP 67 17.019 0.550 -1.378
518 H GLU 68 H GLU 68 18.119 2.817 1.022
519 HA GLU 68 HA GLU 68 19.161 4.552 -1.082
520 1HB GLU 68 2HB GLU 68 20.020 4.144 1.780
521 2HB GLU 68 1HB GLU 68 20.758 5.290 0.669
522 1HG GLU 68 2HG GLU 68 18.590 6.442 0.464
523 2HG GLU 68 1HG GLU 68 17.912 5.326 1.647
524 H SER 69 H SER 69 19.392 1.382 -0.469
525 HA SER 69 HA SER 69 22.205 0.946 -0.497
526 1HB SER 69 2HB SER 69 20.568 -0.717 0.358
527 2HB SER 69 1HB SER 69 19.995 -0.964 -1.291
528 HG SER 69 HG SER 69 22.656 -1.391 -0.400
529 H LYS 70 H LYS 70 20.081 1.998 -2.883
530 HA LYS 70 HA LYS 70 21.564 0.776 -5.068
531 1HB LYS 70 2HB LYS 70 19.235 2.681 -5.242
532 2HB LYS 70 1HB LYS 70 19.872 1.658 -6.524
533 1HG LYS 70 2HG LYS 70 18.025 0.471 -5.849
534 2HG LYS 70 1HG LYS 70 19.304 -0.281 -4.892
535 1HD LYS 70 2HD LYS 70 18.495 0.503 -2.951
536 2HD LYS 70 1HD LYS 70 18.018 2.049 -3.654
537 1HE LYS 70 2HE LYS 70 16.349 0.109 -4.814
538 2HE LYS 70 1HE LYS 70 16.412 -0.264 -3.092
539 1HZ LYS 70 1HZ LYS 70 15.466 2.196 -4.415
540 2HZ LYS 70 2HZ LYS 70 15.965 2.229 -2.800
541 3HZ LYS 70 3HZ LYS 70 14.678 1.237 -3.266
542 H LYS 71 H LYS 71 20.394 4.097 -4.504
543 HA LYS 71 HA LYS 71 21.353 6.127 -4.854
544 1HB LYS 71 2HB LYS 71 23.643 4.406 -4.084
545 2HB LYS 71 1HB LYS 71 24.037 5.941 -4.848
546 1HG LYS 71 2HG LYS 71 22.128 5.836 -2.549
547 2HG LYS 71 1HG LYS 71 23.873 5.820 -2.279
548 1HD LYS 71 2HD LYS 71 24.035 7.901 -3.640
549 2HD LYS 71 1HD LYS 71 22.272 7.938 -3.711
550 1HE LYS 71 2HE LYS 71 22.305 7.903 -1.181
551 2HE LYS 71 1HE LYS 71 24.039 8.202 -1.290
552 1HZ LYS 71 1HZ LYS 71 23.682 10.282 -2.273
553 2HZ LYS 71 2HZ LYS 71 22.550 10.208 -1.019
554 3HZ LYS 71 3HZ LYS 71 22.058 9.954 -2.617
555 H ARG 72 H ARG 72 20.674 6.467 -6.936
556 HA ARG 72 HA ARG 72 22.499 5.638 -9.089
557 1HB ARG 72 2HB ARG 72 19.591 6.454 -9.202
558 2HB ARG 72 1HB ARG 72 20.578 6.078 -10.608
559 1HG ARG 72 2HG ARG 72 20.933 3.868 -9.025
560 2HG ARG 72 1HG ARG 72 19.248 4.301 -8.723
561 1HD ARG 72 2HD ARG 72 18.918 4.398 -11.200
562 2HD ARG 72 1HD ARG 72 20.549 3.751 -11.385
563 HE ARG 72 HE ARG 72 18.184 2.308 -10.617
564 1HH1 ARG 72 1HH1 ARG 72 21.670 2.370 -10.471
565 2HH1 ARG 72 2HH1 ARG 72 21.815 0.660 -10.237
566 1HH2 ARG 72 1HH2 ARG 72 18.373 0.060 -10.310
567 2HH2 ARG 72 2HH2 ARG 72 19.944 -0.651 -10.146
568 H LYS 73 H LYS 73 23.031 7.144 -10.747
569 HA LYS 73 HA LYS 73 23.215 9.875 -9.743
570 1HB LYS 73 2HB LYS 73 24.567 8.476 -12.053
571 2HB LYS 73 1HB LYS 73 24.803 10.174 -11.663
572 1HG LYS 73 2HG LYS 73 25.283 8.096 -9.577
573 2HG LYS 73 1HG LYS 73 26.499 8.400 -10.821
574 1HD LYS 73 2HD LYS 73 26.371 10.836 -10.185
575 2HD LYS 73 1HD LYS 73 25.388 10.345 -8.805
576 1HE LYS 73 2HE LYS 73 27.690 10.579 -8.116
577 2HE LYS 73 1HE LYS 73 27.224 8.880 -8.055
578 1HZ LYS 73 1HZ LYS 73 28.516 8.369 -9.872
579 2HZ LYS 73 2HZ LYS 73 29.465 9.551 -9.119
580 3HZ LYS 73 3HZ LYS 73 28.525 9.954 -10.467
581 H ASP 74 H ASP 74 22.555 11.684 -10.908
582 HA ASP 74 HA ASP 74 20.306 11.190 -12.689
583 1HB ASP 74 2HB ASP 74 20.507 12.915 -10.671
584 2HB ASP 74 1HB ASP 74 21.145 13.953 -11.943
585 H ASN 75 H ASN 75 20.086 13.017 -14.452
586 HA ASN 75 HA ASN 75 22.053 12.499 -16.394
587 1HB ASN 75 2HB ASN 75 19.983 14.705 -16.357
588 2HB ASN 75 1HB ASN 75 20.861 14.136 -17.775
589 1HD2 ASN 75 1HD2 ASN 75 17.975 14.198 -17.120
590 2HD2 ASN 75 2HD2 ASN 75 17.427 12.575 -17.339
591 H GLU 76 H GLU 76 21.931 14.816 -13.880
592 HA GLU 76 HA GLU 76 23.772 16.649 -15.180
593 1HB GLU 76 2HB GLU 76 21.830 17.207 -13.504
594 2HB GLU 76 1HB GLU 76 23.039 16.827 -12.285
595 1HG GLU 76 2HG GLU 76 24.532 18.515 -13.302
596 2HG GLU 76 1HG GLU 76 23.236 18.941 -14.417
597 H GLY 77 H GLY 77 24.062 13.752 -13.565
598 1HA GLY 77 2HA GLY 77 26.113 12.681 -13.149
599 2HA GLY 77 1HA GLY 77 26.898 14.252 -13.096
600 H ASN 78 H ASN 78 24.064 14.251 -11.263
601 HA ASN 78 HA ASN 78 25.652 13.936 -8.807
602 1HB ASN 78 2HB ASN 78 23.063 15.424 -9.285
603 2HB ASN 78 1HB ASN 78 23.853 15.265 -7.719
604 1HD2 ASN 78 1HD2 ASN 78 23.503 17.185 -10.382
605 2HD2 ASN 78 2HD2 ASN 78 24.904 18.178 -10.199
606 H GLU 79 H GLU 79 24.924 12.670 -7.116
607 HA GLU 79 HA GLU 79 23.345 10.411 -7.847
608 1HB GLU 79 2HB GLU 79 24.398 11.270 -5.147
609 2HB GLU 79 1HB GLU 79 23.691 9.701 -5.501
610 1HG GLU 79 2HG GLU 79 25.488 9.274 -7.118
611 2HG GLU 79 1HG GLU 79 26.208 10.829 -6.705
612 H VAL 80 H VAL 80 21.308 9.803 -7.159
613 HA VAL 80 HA VAL 80 19.757 11.810 -5.670
614 HB VAL 80 HB VAL 80 17.942 11.779 -7.136
615 1HG1 VAL 80 1HG1 VAL 80 19.627 13.118 -8.115
616 2HG1 VAL 80 2HG1 VAL 80 18.914 12.179 -9.426
617 3HG1 VAL 80 3HG1 VAL 80 20.475 11.709 -8.755
618 1HG2 VAL 80 1HG2 VAL 80 18.043 10.150 -9.191
619 2HG2 VAL 80 2HG2 VAL 80 17.437 9.585 -7.632
620 3HG2 VAL 80 3HG2 VAL 80 19.089 9.207 -8.129
621 H VAL 81 H VAL 81 17.804 10.966 -4.682
622 HA VAL 81 HA VAL 81 18.144 8.161 -3.880
623 HB VAL 81 HB VAL 81 16.428 10.273 -2.560
624 1HG1 VAL 81 1HG1 VAL 81 16.906 8.513 -0.628
625 2HG1 VAL 81 2HG1 VAL 81 17.043 7.425 -2.008
626 3HG1 VAL 81 3HG1 VAL 81 15.555 8.334 -1.748
627 1HG2 VAL 81 1HG2 VAL 81 18.161 10.981 -1.314
628 2HG2 VAL 81 2HG2 VAL 81 19.140 10.349 -2.637
629 3HG2 VAL 81 3HG2 VAL 81 18.867 9.369 -1.196
630 HA PRO 82 HA PRO 82 14.882 7.521 -7.012
631 1HB PRO 82 2HB PRO 82 15.023 4.925 -5.521
632 2HB PRO 82 1HB PRO 82 14.872 5.213 -7.259
633 1HG PRO 82 2HG PRO 82 17.221 4.558 -6.163
634 2HG PRO 82 1HG PRO 82 17.115 5.706 -7.509
635 1HD PRO 82 2HD PRO 82 17.721 6.198 -4.658
636 2HD PRO 82 1HD PRO 82 18.153 7.151 -6.088
637 H LYS 83 H LYS 83 12.621 7.053 -6.899
638 HA LYS 83 HA LYS 83 11.366 8.030 -4.537
639 1HB LYS 83 2HB LYS 83 10.333 6.877 -7.118
640 2HB LYS 83 1HB LYS 83 9.243 7.280 -5.799
641 1HG LYS 83 2HG LYS 83 9.136 9.273 -6.811
642 2HG LYS 83 1HG LYS 83 10.670 9.570 -5.989
643 1HD LYS 83 2HD LYS 83 11.494 8.271 -8.241
644 2HD LYS 83 1HD LYS 83 10.100 9.174 -8.839
645 1HE LYS 83 2HE LYS 83 11.130 11.162 -8.615
646 2HE LYS 83 1HE LYS 83 11.902 10.702 -7.098
647 1HZ LYS 83 1HZ LYS 83 12.798 10.000 -9.839
648 2HZ LYS 83 2HZ LYS 83 13.482 9.360 -8.430
649 3HZ LYS 83 3HZ LYS 83 13.581 11.020 -8.739
650 HA PRO 84 HA PRO 84 10.722 4.371 -2.231
651 1HB PRO 84 2HB PRO 84 8.214 5.537 -1.260
652 2HB PRO 84 1HB PRO 84 9.704 5.177 -0.377
653 1HG PRO 84 2HG PRO 84 9.017 7.688 -0.887
654 2HG PRO 84 1HG PRO 84 10.708 7.187 -0.999
655 1HD PRO 84 2HD PRO 84 8.700 7.509 -3.208
656 2HD PRO 84 1HD PRO 84 10.353 8.159 -3.091
657 H GLN 85 H GLN 85 9.210 2.597 -1.824
658 HA GLN 85 HA GLN 85 7.887 1.754 -4.174
659 1HB GLN 85 2HB GLN 85 7.997 0.704 -1.360
660 2HB GLN 85 1HB GLN 85 6.947 -0.040 -2.557
661 1HG GLN 85 2HG GLN 85 9.942 0.201 -2.653
662 2HG GLN 85 1HG GLN 85 8.986 -1.270 -2.468
663 1HE2 GLN 85 1HE2 GLN 85 10.900 0.105 -4.555
664 2HE2 GLN 85 2HE2 GLN 85 10.139 -0.294 -6.054
665 H ARG 86 H ARG 86 5.621 1.215 -4.410
666 HA ARG 86 HA ARG 86 3.739 2.558 -2.646
667 1HB ARG 86 2HB ARG 86 3.986 3.267 -5.576
668 2HB ARG 86 1HB ARG 86 2.666 3.769 -4.529
669 1HG ARG 86 2HG ARG 86 4.279 4.975 -3.113
670 2HG ARG 86 1HG ARG 86 5.568 4.515 -4.227
671 1HD ARG 86 2HD ARG 86 3.133 6.145 -4.941
672 2HD ARG 86 1HD ARG 86 4.745 6.793 -4.643
673 HE ARG 86 HE ARG 86 4.646 4.789 -6.706
674 1HH1 ARG 86 1HH1 ARG 86 4.339 8.191 -5.992
675 2HH1 ARG 86 2HH1 ARG 86 4.717 8.691 -7.605
676 1HH2 ARG 86 1HH2 ARG 86 5.144 5.445 -8.828
677 2HH2 ARG 86 2HH2 ARG 86 5.174 7.133 -9.217
678 H HIS 87 H HIS 87 2.143 1.151 -2.308
679 HA HIS 87 HA HIS 87 1.544 -0.836 -4.391
680 1HB HIS 87 2HB HIS 87 0.697 -0.962 -1.497
681 2HB HIS 87 1HB HIS 87 0.693 -2.267 -2.678
682 HD1 HIS 87 HD1 HIS 87 2.915 -3.474 -3.119
683 HD2 HIS 87 HD2 HIS 87 3.207 -0.382 -0.358
684 HE1 HIS 87 HE1 HIS 87 5.170 -3.749 -2.039
685 HE2 HIS 87 HE2 HIS 87 5.286 -1.918 -0.311
686 H MET 88 H MET 88 -0.733 -1.438 -4.697
687 HA MET 88 HA MET 88 -2.561 0.791 -4.089
688 1HB MET 88 2HB MET 88 -1.720 0.708 -6.485
689 2HB MET 88 1HB MET 88 -2.631 -0.787 -6.655
690 1HG MET 88 2HG MET 88 -3.984 1.684 -5.670
691 2HG MET 88 1HG MET 88 -3.680 1.464 -7.391
692 1HE MET 88 1HE MET 88 -6.396 1.528 -7.947
693 2HE MET 88 2HE MET 88 -6.817 -0.121 -8.409
694 3HE MET 88 3HE MET 88 -5.254 0.552 -8.869
695 H PHE 89 H PHE 89 -4.673 0.305 -3.651
696 HA PHE 89 HA PHE 89 -5.705 -2.374 -3.885
697 1HB PHE 89 2HB PHE 89 -5.219 -1.166 -1.152
698 2HB PHE 89 1HB PHE 89 -6.196 -2.598 -1.453
699 HD1 PHE 89 HD1 PHE 89 -2.811 -1.238 -1.311
700 HD2 PHE 89 HD2 PHE 89 -5.166 -4.704 -2.047
701 HE1 PHE 89 HE1 PHE 89 -0.798 -2.641 -1.124
702 HE2 PHE 89 HE2 PHE 89 -3.157 -6.114 -1.862
703 HZ PHE 89 HZ PHE 89 -0.970 -5.082 -1.399
704 H SER 90 H SER 90 -7.806 -2.184 -4.381
705 HA SER 90 HA SER 90 -9.170 0.318 -3.640
706 1HB SER 90 2HB SER 90 -8.911 -0.114 -6.076
707 2HB SER 90 1HB SER 90 -9.862 -1.589 -5.886
708 HG SER 90 HG SER 90 -10.805 0.751 -6.390
709 H PHE 91 H PHE 91 -11.117 0.295 -2.622
710 HA PHE 91 HA PHE 91 -12.252 -2.335 -1.941
711 1HB PHE 91 2HB PHE 91 -12.275 0.010 -0.049
712 2HB PHE 91 1HB PHE 91 -12.634 -1.675 0.304
713 HD1 PHE 91 HD1 PHE 91 -9.808 0.381 -1.021
714 HD2 PHE 91 HD2 PHE 91 -11.040 -2.869 1.436
715 HE1 PHE 91 HE1 PHE 91 -7.480 0.042 -0.305
716 HE2 PHE 91 HE2 PHE 91 -8.711 -3.211 2.156
717 HZ PHE 91 HZ PHE 91 -6.929 -1.753 1.286
718 H ASN 92 H ASN 92 -14.504 -2.445 -1.773
719 HA ASN 92 HA ASN 92 -15.899 -0.364 -3.236
720 1HB ASN 92 2HB ASN 92 -17.038 -2.935 -2.138
721 2HB ASN 92 1HB ASN 92 -17.733 -1.901 -3.385
722 1HD2 ASN 92 1HD2 ASN 92 -15.496 -1.387 -4.914
723 2HD2 ASN 92 2HD2 ASN 92 -14.973 -2.853 -5.664
724 H ASN 93 H ASN 93 -15.409 -1.277 0.019
725 HA ASN 93 HA ASN 93 -17.728 0.318 0.879
726 1HB ASN 93 2HB ASN 93 -16.136 -1.794 2.341
727 2HB ASN 93 1HB ASN 93 -17.363 -0.791 3.108
728 1HD2 ASN 93 1HD2 ASN 93 -17.518 -3.545 3.071
729 2HD2 ASN 93 2HD2 ASN 93 -18.853 -4.025 2.084
730 H ARG 94 H ARG 94 -17.304 2.314 1.529
731 HA ARG 94 HA ARG 94 -14.754 3.399 1.776
732 1HB ARG 94 2HB ARG 94 -16.802 4.725 1.378
733 2HB ARG 94 1HB ARG 94 -17.307 4.413 3.033
734 1HG ARG 94 2HG ARG 94 -14.656 5.677 2.544
735 2HG ARG 94 1HG ARG 94 -16.120 6.650 2.394
736 1HD ARG 94 2HD ARG 94 -16.627 5.429 4.728
737 2HD ARG 94 1HD ARG 94 -14.865 5.450 4.787
738 HE ARG 94 HE ARG 94 -14.953 7.699 5.159
739 1HH1 ARG 94 1HH1 ARG 94 -18.012 6.681 3.824
740 2HH1 ARG 94 2HH1 ARG 94 -18.761 8.229 4.036
741 1HH2 ARG 94 1HH2 ARG 94 -15.936 9.734 5.440
742 2HH2 ARG 94 2HH2 ARG 94 -17.583 9.962 4.953
743 H THR 95 H THR 95 -16.798 1.861 4.130
744 HA THR 95 HA THR 95 -15.470 2.690 6.454
745 HB THR 95 HB THR 95 -16.726 0.058 6.444
746 HG1 THR 95 HG1 THR 95 -18.250 0.663 5.136
747 1HG2 THR 95 1HG2 THR 95 -17.979 0.911 8.286
748 2HG2 THR 95 2HG2 THR 95 -17.448 2.552 7.924
749 3HG2 THR 95 3HG2 THR 95 -16.285 1.357 8.495
750 H VAL 96 H VAL 96 -15.180 -0.230 4.452
751 HA VAL 96 HA VAL 96 -13.251 -1.537 6.009
752 HB VAL 96 HB VAL 96 -13.573 -1.697 3.006
753 1HG1 VAL 96 1HG1 VAL 96 -12.730 -4.064 4.526
754 2HG1 VAL 96 2HG1 VAL 96 -11.557 -2.748 4.498
755 3HG1 VAL 96 3HG1 VAL 96 -12.146 -3.435 2.985
756 1HG2 VAL 96 1HG2 VAL 96 -15.615 -2.134 4.546
757 2HG2 VAL 96 2HG2 VAL 96 -14.772 -3.627 4.952
758 3HG2 VAL 96 3HG2 VAL 96 -15.224 -3.298 3.280
759 H MET 97 H MET 97 -12.979 0.963 3.567
760 HA MET 97 HA MET 97 -10.195 0.827 3.157
761 1HB MET 97 2HB MET 97 -12.257 2.975 2.780
762 2HB MET 97 1HB MET 97 -10.552 3.339 2.558
763 1HG MET 97 2HG MET 97 -11.054 0.978 1.128
764 2HG MET 97 1HG MET 97 -12.385 2.074 0.769
765 1HE MET 97 1HE MET 97 -10.000 5.247 0.299
766 2HE MET 97 2HE MET 97 -11.407 4.642 1.173
767 3HE MET 97 3HE MET 97 -11.496 4.903 -0.570
768 H ASP 98 H ASP 98 -12.181 2.501 5.534
769 HA ASP 98 HA ASP 98 -10.053 4.014 6.655
770 1HB ASP 98 2HB ASP 98 -12.757 3.258 7.773
771 2HB ASP 98 1HB ASP 98 -11.648 4.386 8.546
772 H ASN 99 H ASN 99 -11.459 0.892 7.328
773 HA ASN 99 HA ASN 99 -10.240 0.386 9.800
774 1HB ASN 99 2HB ASN 99 -10.969 -1.603 7.638
775 2HB ASN 99 1HB ASN 99 -10.652 -1.989 9.329
776 1HD2 ASN 99 1HD2 ASN 99 -13.041 -2.461 7.762
777 2HD2 ASN 99 2HD2 ASN 99 -14.327 -1.638 8.572
778 H ILE 100 H ILE 100 -9.164 -0.368 6.503
779 HA ILE 100 HA ILE 100 -6.743 -1.615 7.255
780 HB ILE 100 HB ILE 100 -7.358 -0.180 4.668
781 1HG1 ILE 100 2HG1 ILE 100 -9.014 -1.953 5.300
782 2HG1 ILE 100 1HG1 ILE 100 -8.139 -2.287 3.809
783 1HG2 ILE 100 1HG2 ILE 100 -5.092 -0.545 4.562
784 2HG2 ILE 100 2HG2 ILE 100 -5.711 -2.042 3.864
785 3HG2 ILE 100 3HG2 ILE 100 -5.172 -2.009 5.543
786 1HD1 ILE 100 1HD1 ILE 100 -7.681 -3.519 6.511
787 2HD1 ILE 100 2HD1 ILE 100 -6.620 -3.759 5.120
788 3HD1 ILE 100 3HD1 ILE 100 -8.296 -4.308 5.054
789 H LYS 101 H LYS 101 -7.462 1.695 6.173
790 HA LYS 101 HA LYS 101 -4.810 2.630 6.411
791 1HB LYS 101 2HB LYS 101 -5.625 4.700 5.806
792 2HB LYS 101 1HB LYS 101 -6.882 3.650 5.173
793 1HG LYS 101 2HG LYS 101 -8.183 4.076 7.261
794 2HG LYS 101 1HG LYS 101 -6.967 5.275 7.701
795 1HD LYS 101 2HD LYS 101 -7.506 6.115 5.222
796 2HD LYS 101 1HD LYS 101 -9.056 5.365 5.602
797 1HE LYS 101 2HE LYS 101 -8.337 6.851 7.870
798 2HE LYS 101 1HE LYS 101 -7.980 7.879 6.484
799 1HZ LYS 101 1HZ LYS 101 -10.403 7.623 7.615
800 2HZ LYS 101 2HZ LYS 101 -10.523 6.524 6.334
801 3HZ LYS 101 3HZ LYS 101 -10.137 8.142 6.026
802 H MET 102 H MET 102 -7.378 2.209 8.680
803 HA MET 102 HA MET 102 -6.235 3.904 10.705
804 1HB MET 102 2HB MET 102 -8.563 2.026 10.580
805 2HB MET 102 1HB MET 102 -7.953 2.532 12.149
806 1HG MET 102 2HG MET 102 -8.235 4.898 11.412
807 2HG MET 102 1HG MET 102 -9.033 4.290 9.964
808 1HE MET 102 1HE MET 102 -12.141 2.444 11.538
809 2HE MET 102 2HE MET 102 -10.556 1.735 11.234
810 3HE MET 102 3HE MET 102 -11.279 2.818 10.046
811 H THR 103 H THR 103 -6.284 0.471 9.933
812 HA THR 103 HA THR 103 -4.869 -0.267 12.328
813 HB THR 103 HB THR 103 -6.275 -1.600 10.208
814 HG1 THR 103 HG1 THR 103 -5.252 -2.554 12.673
815 1HG2 THR 103 1HG2 THR 103 -3.595 -2.737 10.901
816 2HG2 THR 103 2HG2 THR 103 -4.184 -2.273 9.304
817 3HG2 THR 103 3HG2 THR 103 -4.906 -3.647 10.146
818 H LEU 104 H LEU 104 -4.058 0.278 8.937
819 HA LEU 104 HA LEU 104 -1.400 -0.641 9.089
820 1HB LEU 104 2HB LEU 104 -2.865 1.194 7.227
821 2HB LEU 104 1HB LEU 104 -1.129 0.994 7.082
822 HG LEU 104 HG LEU 104 -3.124 -1.265 6.927
823 1HD1 LEU 104 1HD1 LEU 104 -3.245 0.414 5.059
824 2HD1 LEU 104 2HD1 LEU 104 -2.855 -1.237 4.573
825 3HD1 LEU 104 3HD1 LEU 104 -1.581 -0.021 4.665
826 1HD2 LEU 104 1HD2 LEU 104 -0.446 -1.589 5.795
827 2HD2 LEU 104 2HD2 LEU 104 -1.398 -2.686 6.794
828 3HD2 LEU 104 3HD2 LEU 104 -0.467 -1.392 7.548
829 H GLN 105 H GLN 105 -2.878 2.511 9.648
830 HA GLN 105 HA GLN 105 -0.510 3.996 9.922
831 1HB GLN 105 2HB GLN 105 -3.332 4.355 10.833
832 2HB GLN 105 1HB GLN 105 -2.092 5.416 11.486
833 1HG GLN 105 2HG GLN 105 -1.468 5.980 9.128
834 2HG GLN 105 1HG GLN 105 -2.894 5.083 8.610
835 1HE2 GLN 105 1HE2 GLN 105 -2.754 7.636 7.877
836 2HE2 GLN 105 2HE2 GLN 105 -3.848 8.613 8.788
837 H GLN 106 H GLN 106 -2.231 1.906 12.092
838 HA GLN 106 HA GLN 106 -0.954 2.724 14.491
839 1HB GLN 106 2HB GLN 106 -2.390 0.190 13.707
840 2HB GLN 106 1HB GLN 106 -1.722 0.443 15.314
841 1HG GLN 106 2HG GLN 106 -3.168 2.327 15.674
842 2HG GLN 106 1HG GLN 106 -3.761 2.235 14.017
843 1HE2 GLN 106 1HE2 GLN 106 -5.457 2.202 16.200
844 2HE2 GLN 106 2HE2 GLN 106 -6.208 0.649 16.310
845 H ILE 107 H ILE 107 -0.195 0.371 11.996
846 HA ILE 107 HA ILE 107 1.903 -0.923 13.396
847 HB ILE 107 HB ILE 107 1.507 -0.706 10.407
848 1HG1 ILE 107 2HG1 ILE 107 0.660 -2.968 12.218
849 2HG1 ILE 107 1HG1 ILE 107 -0.422 -1.654 11.770
850 1HG2 ILE 107 1HG2 ILE 107 2.704 -3.043 10.677
851 2HG2 ILE 107 2HG2 ILE 107 3.347 -2.278 12.130
852 3HG2 ILE 107 3HG2 ILE 107 3.626 -1.544 10.551
853 1HD1 ILE 107 1HD1 ILE 107 -0.862 -3.493 10.334
854 2HD1 ILE 107 2HD1 ILE 107 0.850 -3.677 9.950
855 3HD1 ILE 107 3HD1 ILE 107 -0.036 -2.260 9.381
856 H ILE 108 H ILE 108 1.904 1.663 10.955
857 HA ILE 108 HA ILE 108 4.691 2.031 10.867
858 HB ILE 108 HB ILE 108 2.814 4.358 10.636
859 1HG1 ILE 108 2HG1 ILE 108 3.320 2.636 8.247
860 2HG1 ILE 108 1HG1 ILE 108 2.047 2.181 9.374
861 1HG2 ILE 108 1HG2 ILE 108 5.501 4.120 10.291
862 2HG2 ILE 108 2HG2 ILE 108 4.495 5.379 9.576
863 3HG2 ILE 108 3HG2 ILE 108 4.911 3.943 8.641
864 1HD1 ILE 108 1HD1 ILE 108 0.957 3.445 7.766
865 2HD1 ILE 108 2HD1 ILE 108 2.256 4.636 7.686
866 3HD1 ILE 108 3HD1 ILE 108 1.204 4.570 9.103
867 H SER 109 H SER 109 2.251 3.935 12.492
868 HA SER 109 HA SER 109 3.856 5.529 14.061
869 1HB SER 109 2HB SER 109 1.184 4.367 14.879
870 2HB SER 109 1HB SER 109 1.936 5.816 15.546
871 HG SER 109 HG SER 109 0.478 6.459 13.996
872 H ARG 110 H ARG 110 3.064 2.172 14.474
873 HA ARG 110 HA ARG 110 3.826 1.930 17.190
874 1HB ARG 110 2HB ARG 110 3.167 0.116 14.980
875 2HB ARG 110 1HB ARG 110 4.317 -0.549 16.129
876 1HG ARG 110 2HG ARG 110 2.743 -0.095 17.952
877 2HG ARG 110 1HG ARG 110 1.585 0.538 16.779
878 1HD ARG 110 2HD ARG 110 1.649 -1.678 15.634
879 2HD ARG 110 1HD ARG 110 2.648 -2.277 16.958
880 HE ARG 110 HE ARG 110 -0.188 -1.817 16.994
881 1HH1 ARG 110 1HH1 ARG 110 2.690 -2.056 18.951
882 2HH1 ARG 110 2HH1 ARG 110 1.826 -2.479 20.391
883 1HH2 ARG 110 1HH2 ARG 110 -1.327 -2.376 18.886
884 2HH2 ARG 110 2HH2 ARG 110 -0.454 -2.662 20.354
885 H TYR 111 H TYR 111 5.568 1.792 14.177
886 HA TYR 111 HA TYR 111 8.051 1.116 15.571
887 1HB TYR 111 2HB TYR 111 7.404 1.335 12.626
888 2HB TYR 111 1HB TYR 111 9.006 0.967 13.259
889 HD1 TYR 111 HD1 TYR 111 5.854 -0.377 12.268
890 HD2 TYR 111 HD2 TYR 111 9.237 -1.119 14.737
891 HE1 TYR 111 HE1 TYR 111 5.260 -2.760 12.354
892 HE2 TYR 111 HE2 TYR 111 8.655 -3.506 14.827
893 HH TYR 111 HH TYR 111 7.368 -5.142 13.442
894 H LYS 112 H LYS 112 6.466 3.750 13.925
895 HA LYS 112 HA LYS 112 8.745 5.411 13.618
896 1HB LYS 112 2HB LYS 112 5.944 5.557 13.053
897 2HB LYS 112 1HB LYS 112 6.420 7.017 13.906
898 1HG LYS 112 2HG LYS 112 7.319 7.840 12.062
899 2HG LYS 112 1HG LYS 112 8.378 6.437 11.918
900 1HD LYS 112 2HD LYS 112 6.996 5.371 10.449
901 2HD LYS 112 1HD LYS 112 5.542 6.142 11.088
902 1HE LYS 112 2HE LYS 112 5.669 7.335 9.176
903 2HE LYS 112 1HE LYS 112 6.818 8.296 10.106
904 1HZ LYS 112 1HZ LYS 112 7.908 7.847 8.117
905 2HZ LYS 112 2HZ LYS 112 7.375 6.243 8.056
906 3HZ LYS 112 3HZ LYS 112 8.554 6.699 9.179
907 H ASP 113 H ASP 113 6.354 4.975 16.160
908 HA ASP 113 HA ASP 113 7.018 7.189 17.747
909 1HB ASP 113 2HB ASP 113 5.802 4.506 18.386
910 2HB ASP 113 1HB ASP 113 6.078 5.718 19.635
911 H ALA 114 H ALA 114 8.396 3.958 17.552
912 HA ALA 114 HA ALA 114 10.020 4.082 19.844
913 1HB ALA 114 1HB ALA 114 9.435 2.152 18.053
914 2HB ALA 114 2HB ALA 114 10.762 2.051 19.212
915 3HB ALA 114 3HB ALA 114 11.075 2.565 17.554
916 H ASP 115 H ASP 115 10.482 5.239 16.566
917 HA ASP 115 HA ASP 115 13.226 6.044 17.159
918 1HB ASP 115 2HB ASP 115 11.609 6.136 14.605
919 2HB ASP 115 1HB ASP 115 13.264 6.723 14.747
920 H LEU 45 1H LEU 45 -4.317 0.988 -15.675
921 HA LEU 45 HA LEU 45 -3.862 -0.062 -17.889
922 1HB LEU 45 2HB LEU 45 -3.551 2.854 -18.607
923 2HB LEU 45 1HB LEU 45 -3.220 1.480 -19.645
924 HG LEU 45 HG LEU 45 -5.954 2.215 -18.599
925 1HD1 LEU 45 1HD1 LEU 45 -5.727 3.872 -20.117
926 2HD1 LEU 45 2HD1 LEU 45 -6.115 2.578 -21.250
927 3HD1 LEU 45 3HD1 LEU 45 -4.434 3.045 -20.987
928 1HD2 LEU 45 1HD2 LEU 45 -5.632 0.472 -20.946
929 2HD2 LEU 45 2HD2 LEU 45 -6.770 0.374 -19.603
930 3HD2 LEU 45 3HD2 LEU 45 -5.125 -0.228 -19.408
931 H SER 46 H SER 46 -2.466 3.040 -16.801
932 HA SER 46 HA SER 46 0.055 1.605 -16.277
933 1HB SER 46 2HB SER 46 1.294 3.463 -16.993
934 2HB SER 46 1HB SER 46 -0.031 3.389 -18.154
935 HG SER 46 HG SER 46 -0.379 5.373 -17.567
936 HA PRO 47 HA PRO 47 0.110 2.684 -12.018
937 1HB PRO 47 2HB PRO 47 2.676 4.119 -12.498
938 2HB PRO 47 1HB PRO 47 2.295 2.858 -11.319
939 1HG PRO 47 2HG PRO 47 3.717 2.289 -13.494
940 2HG PRO 47 1HG PRO 47 2.505 1.152 -12.879
941 1HD PRO 47 2HD PRO 47 2.365 2.989 -15.229
942 2HD PRO 47 1HD PRO 47 1.693 1.358 -15.028
943 H ASP 48 H ASP 48 1.148 5.299 -14.183
944 HA ASP 48 HA ASP 48 0.733 7.459 -12.482
945 1HB ASP 48 2HB ASP 48 1.841 7.565 -14.714
946 2HB ASP 48 1HB ASP 48 0.258 7.418 -15.469
947 H ASP 49 H ASP 49 -1.555 5.471 -14.166
948 HA ASP 49 HA ASP 49 -3.761 7.212 -14.187
949 1HB ASP 49 2HB ASP 49 -3.666 4.192 -14.044
950 2HB ASP 49 1HB ASP 49 -5.121 5.132 -14.364
951 H ILE 50 H ILE 50 -2.593 4.909 -11.778
952 HA ILE 50 HA ILE 50 -4.766 5.222 -9.986
953 HB ILE 50 HB ILE 50 -1.959 4.362 -9.299
954 1HG1 ILE 50 2HG1 ILE 50 -2.767 3.008 -11.145
955 2HG1 ILE 50 1HG1 ILE 50 -2.795 2.053 -9.667
956 1HG2 ILE 50 1HG2 ILE 50 -2.900 3.297 -7.404
957 2HG2 ILE 50 2HG2 ILE 50 -4.544 3.572 -7.980
958 3HG2 ILE 50 3HG2 ILE 50 -3.562 4.932 -7.438
959 1HD1 ILE 50 1HD1 ILE 50 -5.275 2.854 -9.550
960 2HD1 ILE 50 2HD1 ILE 50 -4.812 1.511 -10.595
961 3HD1 ILE 50 3HD1 ILE 50 -5.054 3.120 -11.279
962 H GLU 51 H GLU 51 -1.868 7.014 -10.558
963 HA GLU 51 HA GLU 51 -1.697 8.366 -8.083
964 1HB GLU 51 2HB GLU 51 -0.737 9.189 -10.828
965 2HB GLU 51 1HB GLU 51 -0.296 9.998 -9.330
966 1HG GLU 51 2HG GLU 51 0.735 7.916 -8.531
967 2HG GLU 51 1HG GLU 51 0.337 7.150 -10.067
968 H GLN 52 H GLN 52 -3.500 8.972 -11.029
969 HA GLN 52 HA GLN 52 -4.272 11.619 -10.490
970 1HB GLN 52 2HB GLN 52 -5.079 11.382 -12.557
971 2HB GLN 52 1HB GLN 52 -4.785 9.653 -12.479
972 1HG GLN 52 2HG GLN 52 -6.993 9.270 -11.600
973 2HG GLN 52 1HG GLN 52 -7.293 11.005 -11.509
974 1HE2 GLN 52 1HE2 GLN 52 -7.149 8.225 -13.540
975 2HE2 GLN 52 2HE2 GLN 52 -7.763 8.973 -14.973
976 H TRP 53 H TRP 53 -5.504 8.545 -9.389
977 HA TRP 53 HA TRP 53 -8.025 9.321 -8.477
978 1HB TRP 53 2HB TRP 53 -6.112 7.202 -7.506
979 2HB TRP 53 1HB TRP 53 -7.724 7.403 -6.828
980 HD1 TRP 53 HD1 TRP 53 -6.603 7.399 -10.548
981 HE1 TRP 53 HE1 TRP 53 -8.013 5.643 -11.794
982 HE3 TRP 53 HE3 TRP 53 -9.282 5.561 -6.601
983 HZ2 TRP 53 HZ2 TRP 53 -9.998 3.730 -11.182
984 HZ3 TRP 53 HZ3 TRP 53 -10.915 3.769 -7.017
985 HH2 TRP 53 HH2 TRP 53 -11.265 2.874 -9.261
986 H PHE 54 H PHE 54 -4.850 9.678 -7.029
987 HA PHE 54 HA PHE 54 -6.055 10.894 -4.646
988 1HB PHE 54 2HB PHE 54 -3.191 10.063 -5.152
989 2HB PHE 54 1HB PHE 54 -3.823 10.699 -3.638
990 HD1 PHE 54 HD1 PHE 54 -3.504 7.795 -5.770
991 HD2 PHE 54 HD2 PHE 54 -5.408 9.359 -2.301
992 HE1 PHE 54 HE1 PHE 54 -4.079 5.511 -5.061
993 HE2 PHE 54 HE2 PHE 54 -5.986 7.078 -1.584
994 HZ PHE 54 HZ PHE 54 -5.321 5.149 -2.965
995 H THR 55 H THR 55 -4.596 11.732 -7.593
996 HA THR 55 HA THR 55 -3.529 14.252 -6.638
997 HB THR 55 HB THR 55 -3.254 12.613 -9.019
998 HG1 THR 55 HG1 THR 55 -1.448 12.919 -7.902
999 1HG2 THR 55 1HG2 THR 55 -2.525 14.612 -10.408
1000 2HG2 THR 55 2HG2 THR 55 -3.555 15.569 -9.343
1001 3HG2 THR 55 3HG2 THR 55 -4.253 14.274 -10.313
1002 H GLU 56 H GLU 56 -6.383 13.010 -8.154
1003 HA GLU 56 HA GLU 56 -7.393 15.276 -9.404
1004 1HB GLU 56 2HB GLU 56 -9.581 14.253 -9.194
1005 2HB GLU 56 1HB GLU 56 -8.387 13.024 -9.585
1006 1HG GLU 56 2HG GLU 56 -8.311 12.371 -7.217
1007 2HG GLU 56 1HG GLU 56 -9.555 13.569 -6.866
1008 H ASP 57 H ASP 57 -8.729 16.958 -8.757
1009 HA ASP 57 HA ASP 57 -8.651 17.540 -5.877
1010 1HB ASP 57 2HB ASP 57 -8.963 19.388 -8.253
1011 2HB ASP 57 1HB ASP 57 -9.020 19.907 -6.571
1012 HA PRO 58 HA PRO 58 -13.034 17.270 -5.514
1013 1HB PRO 58 2HB PRO 58 -13.574 19.222 -3.706
1014 2HB PRO 58 1HB PRO 58 -12.783 17.702 -3.271
1015 1HG PRO 58 2HG PRO 58 -11.567 20.388 -3.793
1016 2HG PRO 58 1HG PRO 58 -11.194 19.221 -2.511
1017 1HD PRO 58 2HD PRO 58 -9.670 19.478 -4.732
1018 2HD PRO 58 1HD PRO 58 -9.883 17.926 -3.897
Start of MODEL 14
1 HT1 PRO 1 HT2 PRO 1 -13.142 -5.693 9.230
2 HT2 PRO 1 HT1 PRO 1 -12.774 -5.770 10.892
3 HA PRO 1 HA PRO 1 -13.051 -3.566 9.237
4 1HB PRO 1 2HB PRO 1 -14.612 -2.623 11.339
5 2HB PRO 1 1HB PRO 1 -15.182 -2.986 9.706
6 1HG PRO 1 2HG PRO 1 -15.344 -4.637 12.180
7 2HG PRO 1 1HG PRO 1 -16.484 -4.521 10.831
8 1HD PRO 1 2HD PRO 1 -14.824 -6.643 11.162
9 2HD PRO 1 1HD PRO 1 -15.332 -6.073 9.560
10 H SER 2 H SER 2 -11.008 -4.876 10.619
11 HA SER 2 HA SER 2 -10.002 -2.715 12.233
12 1HB SER 2 2HB SER 2 -10.656 -5.395 13.453
13 2HB SER 2 1HB SER 2 -9.431 -4.332 14.144
14 HG SER 2 HG SER 2 -11.045 -2.735 14.362
15 H HIS 3 H HIS 3 -9.493 -6.127 11.359
16 HA HIS 3 HA HIS 3 -6.803 -5.410 10.442
17 1HB HIS 3 2HB HIS 3 -7.471 -7.681 12.320
18 2HB HIS 3 1HB HIS 3 -5.938 -7.535 11.467
19 HD1 HIS 3 HD1 HIS 3 -8.003 -5.762 14.082
20 HD2 HIS 3 HD2 HIS 3 -4.118 -5.826 12.615
21 HE1 HIS 3 HE1 HIS 3 -6.675 -4.302 15.636
22 HE2 HIS 3 HE2 HIS 3 -4.304 -4.440 14.791
23 H SER 4 H SER 4 -9.218 -5.862 9.018
24 HA SER 4 HA SER 4 -8.314 -7.458 6.941
25 1HB SER 4 2HB SER 4 -9.945 -9.351 7.056
26 2HB SER 4 1HB SER 4 -8.695 -9.407 8.304
27 HG SER 4 HG SER 4 -11.270 -8.292 8.711
28 H GLY 5 H GLY 5 -9.212 -6.543 5.251
29 1HA GLY 5 2HA GLY 5 -12.080 -5.987 5.266
30 2HA GLY 5 1HA GLY 5 -10.998 -4.626 5.007
31 H ALA 6 H ALA 6 -12.817 -6.929 3.501
32 HA ALA 6 HA ALA 6 -11.606 -8.035 1.405
33 1HB ALA 6 1HB ALA 6 -13.920 -8.250 1.450
34 2HB ALA 6 2HB ALA 6 -13.622 -7.303 -0.008
35 3HB ALA 6 3HB ALA 6 -14.178 -6.504 1.463
36 H ALA 7 H ALA 7 -10.106 -7.426 0.001
37 HA ALA 7 HA ALA 7 -10.224 -4.676 -1.073
38 1HB ALA 7 1HB ALA 7 -7.871 -4.370 -0.811
39 2HB ALA 7 2HB ALA 7 -7.657 -6.037 -0.276
40 3HB ALA 7 3HB ALA 7 -8.514 -4.885 0.749
41 H ILE 8 H ILE 8 -9.346 -4.368 -3.163
42 HA ILE 8 HA ILE 8 -9.219 -6.841 -4.728
43 HB ILE 8 HB ILE 8 -9.869 -4.015 -5.479
44 1HG1 ILE 8 2HG1 ILE 8 -11.521 -5.915 -6.736
45 2HG1 ILE 8 1HG1 ILE 8 -11.277 -6.492 -5.091
46 1HG2 ILE 8 1HG2 ILE 8 -8.253 -4.714 -7.147
47 2HG2 ILE 8 2HG2 ILE 8 -9.875 -4.634 -7.833
48 3HG2 ILE 8 3HG2 ILE 8 -9.167 -6.195 -7.428
49 1HD1 ILE 8 1HD1 ILE 8 -13.241 -5.111 -5.263
50 2HD1 ILE 8 2HD1 ILE 8 -12.257 -3.776 -5.870
51 3HD1 ILE 8 3HD1 ILE 8 -12.023 -4.371 -4.225
52 H PHE 9 H PHE 9 -7.390 -7.556 -5.465
53 HA PHE 9 HA PHE 9 -5.094 -5.691 -5.591
54 1HB PHE 9 2HB PHE 9 -4.978 -7.523 -3.844
55 2HB PHE 9 1HB PHE 9 -4.896 -8.671 -5.175
56 HD1 PHE 9 HD1 PHE 9 -2.782 -9.494 -5.479
57 HD2 PHE 9 HD2 PHE 9 -3.266 -5.397 -4.433
58 HE1 PHE 9 HE1 PHE 9 -0.345 -9.177 -5.605
59 HE2 PHE 9 HE2 PHE 9 -0.830 -5.071 -4.559
60 HZ PHE 9 HZ PHE 9 0.634 -6.965 -5.146
61 H GLU 10 H GLU 10 -4.021 -5.490 -7.467
62 HA GLU 10 HA GLU 10 -3.547 -5.689 -9.687
63 1HB GLU 10 2HB GLU 10 -4.080 -8.618 -9.198
64 2HB GLU 10 1HB GLU 10 -3.195 -7.941 -10.558
65 1HG GLU 10 2HG GLU 10 -1.497 -7.087 -9.011
66 2HG GLU 10 1HG GLU 10 -2.376 -7.813 -7.666
67 H LYS 11 H LYS 11 -6.270 -5.122 -8.914
68 HA LYS 11 HA LYS 11 -8.228 -4.731 -10.023
69 1HB LYS 11 2HB LYS 11 -7.256 -6.472 -12.289
70 2HB LYS 11 1HB LYS 11 -8.492 -5.223 -12.338
71 1HG LYS 11 2HG LYS 11 -6.738 -3.536 -11.878
72 2HG LYS 11 1HG LYS 11 -5.531 -4.819 -11.987
73 1HD LYS 11 2HD LYS 11 -6.317 -5.293 -14.292
74 2HD LYS 11 1HD LYS 11 -7.409 -3.911 -14.167
75 1HE LYS 11 2HE LYS 11 -4.549 -3.448 -13.540
76 2HE LYS 11 1HE LYS 11 -4.968 -3.731 -15.229
77 1HZ LYS 11 1HZ LYS 11 -6.067 -1.616 -13.458
78 2HZ LYS 11 2HZ LYS 11 -6.625 -1.931 -15.023
79 3HZ LYS 11 3HZ LYS 11 -5.038 -1.396 -14.785
80 H VAL 12 H VAL 12 -7.095 -7.527 -8.837
81 HA VAL 12 HA VAL 12 -9.488 -9.090 -9.439
82 HB VAL 12 HB VAL 12 -6.805 -9.853 -8.305
83 1HG1 VAL 12 1HG1 VAL 12 -7.785 -12.183 -8.128
84 2HG1 VAL 12 2HG1 VAL 12 -9.374 -11.427 -8.229
85 3HG1 VAL 12 3HG1 VAL 12 -8.299 -11.042 -6.884
86 1HG2 VAL 12 1HG2 VAL 12 -6.860 -9.826 -10.655
87 2HG2 VAL 12 2HG2 VAL 12 -8.446 -10.613 -10.687
88 3HG2 VAL 12 3HG2 VAL 12 -7.017 -11.523 -10.184
89 H SER 13 H SER 13 -10.812 -9.799 -7.849
90 HA SER 13 HA SER 13 -10.794 -8.130 -5.487
91 1HB SER 13 2HB SER 13 -12.964 -9.133 -4.985
92 2HB SER 13 1HB SER 13 -12.894 -8.492 -6.624
93 HG SER 13 HG SER 13 -12.543 -11.217 -5.908
94 H GLY 14 H GLY 14 -10.689 -8.790 -3.389
95 1HA GLY 14 2HA GLY 14 -10.437 -11.484 -2.559
96 2HA GLY 14 1HA GLY 14 -8.847 -10.756 -2.744
97 H ILE 15 H ILE 15 -9.168 -11.487 -0.336
98 HA ILE 15 HA ILE 15 -10.302 -9.254 1.191
99 HB ILE 15 HB ILE 15 -9.379 -11.889 2.310
100 1HG1 ILE 15 2HG1 ILE 15 -11.200 -12.006 0.505
101 2HG1 ILE 15 1HG1 ILE 15 -11.522 -12.805 2.040
102 1HG2 ILE 15 1HG2 ILE 15 -11.265 -11.085 3.999
103 2HG2 ILE 15 2HG2 ILE 15 -10.791 -9.506 3.379
104 3HG2 ILE 15 3HG2 ILE 15 -9.586 -10.548 4.149
105 1HD1 ILE 15 1HD1 ILE 15 -13.338 -11.362 0.876
106 2HD1 ILE 15 2HD1 ILE 15 -12.460 -10.014 1.602
107 3HD1 ILE 15 3HD1 ILE 15 -13.134 -11.281 2.628
108 H ILE 16 H ILE 16 -9.043 -7.985 2.401
109 HA ILE 16 HA ILE 16 -6.162 -8.572 2.365
110 HB ILE 16 HB ILE 16 -7.694 -6.135 1.945
111 1HG1 ILE 16 2HG1 ILE 16 -4.759 -6.800 1.680
112 2HG1 ILE 16 1HG1 ILE 16 -5.976 -6.918 0.415
113 1HG2 ILE 16 1HG2 ILE 16 -7.230 -5.673 4.277
114 2HG2 ILE 16 2HG2 ILE 16 -6.331 -4.590 3.216
115 3HG2 ILE 16 3HG2 ILE 16 -5.509 -5.942 3.999
116 1HD1 ILE 16 1HD1 ILE 16 -5.904 -4.268 1.549
117 2HD1 ILE 16 2HD1 ILE 16 -5.724 -4.787 -0.127
118 3HD1 ILE 16 3HD1 ILE 16 -4.323 -4.762 0.943
119 H ALA 17 H ALA 17 -5.418 -9.339 4.219
120 HA ALA 17 HA ALA 17 -6.800 -8.557 6.694
121 1HB ALA 17 1HB ALA 17 -7.226 -10.896 5.972
122 2HB ALA 17 2HB ALA 17 -6.480 -10.755 7.571
123 3HB ALA 17 3HB ALA 17 -5.501 -11.221 6.178
124 H ILE 18 H ILE 18 -5.651 -7.674 8.224
125 HA ILE 18 HA ILE 18 -2.738 -7.563 7.929
126 HB ILE 18 HB ILE 18 -4.730 -5.809 9.349
127 1HG1 ILE 18 2HG1 ILE 18 -2.670 -5.233 7.212
128 2HG1 ILE 18 1HG1 ILE 18 -4.394 -5.465 6.934
129 1HG2 ILE 18 1HG2 ILE 18 -3.201 -5.389 10.907
130 2HG2 ILE 18 2HG2 ILE 18 -2.322 -4.526 9.644
131 3HG2 ILE 18 3HG2 ILE 18 -1.923 -6.206 10.006
132 1HD1 ILE 18 1HD1 ILE 18 -4.930 -3.468 8.088
133 2HD1 ILE 18 2HD1 ILE 18 -3.621 -3.093 6.968
134 3HD1 ILE 18 3HD1 ILE 18 -3.279 -3.296 8.686
135 H ASN 19 H ASN 19 -1.363 -8.235 9.533
136 HA ASN 19 HA ASN 19 -2.576 -9.321 11.981
137 1HB ASN 19 2HB ASN 19 -1.108 -11.270 11.878
138 2HB ASN 19 1HB ASN 19 -2.128 -11.185 10.447
139 1HD2 ASN 19 1HD2 ASN 19 0.067 -12.742 10.402
140 2HD2 ASN 19 2HD2 ASN 19 1.278 -12.051 9.379
141 H GLU 20 H GLU 20 -1.817 -8.155 13.605
142 HA GLU 20 HA GLU 20 0.860 -7.012 13.455
143 1HB GLU 20 2HB GLU 20 -1.303 -6.629 15.533
144 2HB GLU 20 1HB GLU 20 0.208 -5.734 15.446
145 1HG GLU 20 2HG GLU 20 -2.054 -5.675 13.466
146 2HG GLU 20 1HG GLU 20 -1.550 -4.384 14.554
147 H ASP 21 H ASP 21 -0.249 -9.912 14.322
148 HA ASP 21 HA ASP 21 1.024 -10.238 16.879
149 1HB ASP 21 2HB ASP 21 -0.951 -11.586 16.115
150 2HB ASP 21 1HB ASP 21 0.104 -12.373 14.944
151 H VAL 22 H VAL 22 2.007 -10.246 13.616
152 HA VAL 22 HA VAL 22 4.415 -11.793 14.188
153 HB VAL 22 HB VAL 22 4.714 -11.269 11.612
154 1HG1 VAL 22 1HG1 VAL 22 4.133 -13.459 13.033
155 2HG1 VAL 22 2HG1 VAL 22 4.222 -13.448 11.270
156 3HG1 VAL 22 3HG1 VAL 22 2.658 -13.331 12.076
157 1HG2 VAL 22 1HG2 VAL 22 1.719 -11.312 11.818
158 2HG2 VAL 22 2HG2 VAL 22 2.708 -11.080 10.376
159 3HG2 VAL 22 3HG2 VAL 22 2.649 -9.826 11.618
160 H SER 23 H SER 23 6.490 -10.958 13.706
161 HA SER 23 HA SER 23 6.609 -8.024 13.513
162 1HB SER 23 2HB SER 23 7.291 -8.307 15.699
163 2HB SER 23 1HB SER 23 8.002 -9.889 15.385
164 HG SER 23 HG SER 23 9.458 -7.988 15.731
165 HA PRO 24 HA PRO 24 7.269 -6.550 12.541
166 1HB PRO 24 2HB PRO 24 7.402 -5.727 9.812
167 2HB PRO 24 1HB PRO 24 8.354 -5.129 11.171
168 1HG PRO 24 2HG PRO 24 9.340 -6.589 9.019
169 2HG PRO 24 1HG PRO 24 10.162 -6.348 10.570
170 1HD PRO 24 2HD PRO 24 8.642 -8.704 9.571
171 2HD PRO 24 1HD PRO 24 10.045 -8.637 10.658
172 H ALA 25 H ALA 25 5.141 -5.963 12.290
173 HA ALA 25 HA ALA 25 3.236 -7.780 11.531
174 1HB ALA 25 1HB ALA 25 3.155 -4.791 11.726
175 2HB ALA 25 2HB ALA 25 2.452 -5.998 12.802
176 3HB ALA 25 3HB ALA 25 1.733 -5.703 11.219
177 H GLU 26 H GLU 26 1.978 -8.162 9.687
178 HA GLU 26 HA GLU 26 2.828 -6.804 7.227
179 1HB GLU 26 2HB GLU 26 2.538 -9.800 7.466
180 2HB GLU 26 1HB GLU 26 3.025 -8.902 6.035
181 1HG GLU 26 2HG GLU 26 5.029 -8.124 7.284
182 2HG GLU 26 1HG GLU 26 4.559 -9.193 8.604
183 H LEU 27 H LEU 27 1.406 -7.353 5.367
184 HA LEU 27 HA LEU 27 -1.375 -7.821 6.205
185 1HB LEU 27 2HB LEU 27 -1.163 -5.466 5.818
186 2HB LEU 27 1HB LEU 27 -0.294 -5.729 4.318
187 HG LEU 27 HG LEU 27 -3.118 -6.693 4.612
188 1HD1 LEU 27 1HD1 LEU 27 -2.544 -4.093 5.097
189 2HD1 LEU 27 2HD1 LEU 27 -4.045 -4.662 4.366
190 3HD1 LEU 27 3HD1 LEU 27 -2.735 -4.073 3.344
191 1HD2 LEU 27 1HD2 LEU 27 -1.182 -6.185 2.419
192 2HD2 LEU 27 2HD2 LEU 27 -2.891 -5.899 2.092
193 3HD2 LEU 27 3HD2 LEU 27 -2.349 -7.491 2.623
194 H THR 28 H THR 28 -2.292 -9.468 5.138
195 HA THR 28 HA THR 28 -1.054 -10.298 2.597
196 HB THR 28 HB THR 28 -2.464 -12.039 4.623
197 HG1 THR 28 HG1 THR 28 -0.581 -11.723 5.559
198 1HG2 THR 28 1HG2 THR 28 -0.662 -13.315 2.737
199 2HG2 THR 28 2HG2 THR 28 -2.071 -12.583 1.968
200 3HG2 THR 28 3HG2 THR 28 -2.285 -13.775 3.250
201 H TRP 29 H TRP 29 -2.266 -10.420 0.841
202 HA TRP 29 HA TRP 29 -5.135 -9.956 1.072
203 1HB TRP 29 2HB TRP 29 -3.965 -8.374 -0.349
204 2HB TRP 29 1HB TRP 29 -3.229 -9.688 -1.264
205 HD1 TRP 29 HD1 TRP 29 -6.744 -8.306 -0.522
206 HE1 TRP 29 HE1 TRP 29 -8.226 -8.692 -2.601
207 HE3 TRP 29 HE3 TRP 29 -3.409 -10.871 -3.402
208 HZ2 TRP 29 HZ2 TRP 29 -7.994 -9.938 -5.128
209 HZ3 TRP 29 HZ3 TRP 29 -4.110 -11.633 -5.634
210 HH2 TRP 29 HH2 TRP 29 -6.355 -11.178 -6.477
211 H ARG 30 H ARG 30 -6.548 -11.516 0.594
212 HA ARG 30 HA ARG 30 -5.592 -13.847 -0.936
213 1HB ARG 30 2HB ARG 30 -5.740 -14.395 1.472
214 2HB ARG 30 1HB ARG 30 -7.438 -13.933 1.459
215 1HG ARG 30 2HG ARG 30 -8.079 -15.799 0.287
216 2HG ARG 30 1HG ARG 30 -6.486 -16.021 -0.439
217 1HD ARG 30 2HD ARG 30 -5.585 -16.818 1.634
218 2HD ARG 30 1HD ARG 30 -7.075 -16.418 2.489
219 HE ARG 30 HE ARG 30 -6.561 -18.756 0.896
220 1HH1 ARG 30 1HH1 ARG 30 -9.034 -16.652 2.178
221 2HH1 ARG 30 2HH1 ARG 30 -10.275 -17.858 2.102
222 1HH2 ARG 30 1HH2 ARG 30 -8.192 -20.342 0.794
223 2HH2 ARG 30 2HH2 ARG 30 -9.798 -19.953 1.317
224 H SER 31 H SER 31 -6.694 -14.006 -2.774
225 HA SER 31 HA SER 31 -8.821 -12.523 -3.607
226 1HB SER 31 2HB SER 31 -8.414 -15.416 -4.388
227 2HB SER 31 1HB SER 31 -9.187 -14.153 -5.347
228 HG SER 31 HG SER 31 -7.275 -13.314 -5.820
229 H THR 32 H THR 32 -11.101 -12.984 -3.908
230 HA THR 32 HA THR 32 -12.376 -13.839 -1.547
231 HB THR 32 HB THR 32 -14.121 -13.865 -3.861
232 HG1 THR 32 HG1 THR 32 -12.557 -11.527 -3.521
233 1HG2 THR 32 1HG2 THR 32 -15.258 -12.079 -2.737
234 2HG2 THR 32 2HG2 THR 32 -13.884 -11.836 -1.657
235 3HG2 THR 32 3HG2 THR 32 -14.828 -13.324 -1.564
236 H ASP 33 H ASP 33 -11.795 -15.260 -4.668
237 HA ASP 33 HA ASP 33 -13.203 -17.665 -4.023
238 1HB ASP 33 2HB ASP 33 -13.230 -16.756 -6.325
239 2HB ASP 33 1HB ASP 33 -11.497 -17.050 -6.435
240 H GLY 34 H GLY 34 -9.993 -16.467 -3.840
241 1HA GLY 34 2HA GLY 34 -8.262 -17.446 -2.597
242 2HA GLY 34 1HA GLY 34 -9.117 -18.980 -2.656
243 H ASP 35 H ASP 35 -8.464 -17.015 -5.487
244 HA ASP 35 HA ASP 35 -6.902 -19.219 -6.587
245 1HB ASP 35 2HB ASP 35 -8.114 -16.772 -7.881
246 2HB ASP 35 1HB ASP 35 -7.158 -17.972 -8.747
247 H LYS 36 H LYS 36 -6.477 -16.036 -5.355
248 HA LYS 36 HA LYS 36 -3.629 -16.191 -6.034
249 1HB LYS 36 2HB LYS 36 -5.535 -14.098 -6.838
250 2HB LYS 36 1HB LYS 36 -4.039 -13.501 -6.136
251 1HG LYS 36 2HG LYS 36 -3.097 -13.732 -8.123
252 2HG LYS 36 1HG LYS 36 -3.251 -15.480 -7.933
253 1HD LYS 36 2HD LYS 36 -4.581 -15.464 -9.719
254 2HD LYS 36 1HD LYS 36 -5.779 -14.623 -8.734
255 1HE LYS 36 2HE LYS 36 -4.694 -12.471 -9.395
256 2HE LYS 36 1HE LYS 36 -3.679 -13.387 -10.508
257 1HZ LYS 36 1HZ LYS 36 -5.738 -12.347 -11.478
258 2HZ LYS 36 2HZ LYS 36 -6.637 -13.489 -10.610
259 3HZ LYS 36 3HZ LYS 36 -5.535 -13.998 -11.788
260 H VAL 37 H VAL 37 -2.223 -15.255 -4.544
261 HA VAL 37 HA VAL 37 -3.394 -14.084 -2.128
262 HB VAL 37 HB VAL 37 -3.090 -16.496 -1.683
263 1HG1 VAL 37 1HG1 VAL 37 -0.183 -15.910 -2.229
264 2HG1 VAL 37 2HG1 VAL 37 -1.239 -16.979 -3.151
265 3HG1 VAL 37 3HG1 VAL 37 -0.794 -17.393 -1.496
266 1HG2 VAL 37 1HG2 VAL 37 -2.952 -15.524 0.341
267 2HG2 VAL 37 2HG2 VAL 37 -1.760 -14.339 -0.194
268 3HG2 VAL 37 3HG2 VAL 37 -1.248 -15.970 0.234
269 H HIS 38 H HIS 38 -2.180 -12.501 -1.202
270 HA HIS 38 HA HIS 38 0.571 -12.118 -2.152
271 1HB HIS 38 2HB HIS 38 -1.176 -10.682 -3.398
272 2HB HIS 38 1HB HIS 38 -1.291 -9.778 -1.893
273 HD1 HIS 38 HD1 HIS 38 1.658 -11.014 -3.973
274 HD2 HIS 38 HD2 HIS 38 0.257 -7.587 -2.087
275 HE1 HIS 38 HE1 HIS 38 3.416 -9.260 -4.371
276 HE2 HIS 38 HE2 HIS 38 2.584 -7.218 -3.152
277 H THR 39 H THR 39 1.953 -11.099 -0.729
278 HA THR 39 HA THR 39 0.870 -10.471 1.936
279 HB THR 39 HB THR 39 3.441 -11.970 1.394
280 HG1 THR 39 HG1 THR 39 2.298 -13.707 1.536
281 1HG2 THR 39 1HG2 THR 39 2.078 -11.209 3.960
282 2HG2 THR 39 2HG2 THR 39 3.702 -10.777 3.423
283 3HG2 THR 39 3HG2 THR 39 3.328 -12.448 3.842
284 H VAL 40 H VAL 40 1.678 -8.672 2.914
285 HA VAL 40 HA VAL 40 3.997 -7.356 1.674
286 HB VAL 40 HB VAL 40 1.439 -5.947 2.446
287 1HG1 VAL 40 1HG1 VAL 40 2.798 -4.209 2.835
288 2HG1 VAL 40 2HG1 VAL 40 3.003 -4.144 1.083
289 3HG1 VAL 40 3HG1 VAL 40 4.182 -5.006 2.078
290 1HG2 VAL 40 1HG2 VAL 40 1.502 -5.294 -0.010
291 2HG2 VAL 40 2HG2 VAL 40 1.057 -6.960 0.359
292 3HG2 VAL 40 3HG2 VAL 40 2.686 -6.588 -0.213
293 H VAL 41 H VAL 41 5.338 -6.290 3.022
294 HA VAL 41 HA VAL 41 4.965 -6.722 5.877
295 HB VAL 41 HB VAL 41 7.149 -7.265 5.137
296 1HG1 VAL 41 1HG1 VAL 41 8.559 -5.488 3.961
297 2HG1 VAL 41 2HG1 VAL 41 7.021 -4.687 3.624
298 3HG1 VAL 41 3HG1 VAL 41 7.317 -6.316 3.023
299 1HG2 VAL 41 1HG2 VAL 41 7.152 -4.574 6.482
300 2HG2 VAL 41 2HG2 VAL 41 8.612 -5.530 6.237
301 3HG2 VAL 41 3HG2 VAL 41 7.299 -6.163 7.230
302 H LEU 42 H LEU 42 3.974 -5.211 7.052
303 HA LEU 42 HA LEU 42 3.419 -2.619 6.003
304 1HB LEU 42 2HB LEU 42 2.981 -3.648 8.804
305 2HB LEU 42 1HB LEU 42 2.226 -2.240 8.081
306 HG LEU 42 HG LEU 42 1.813 -5.082 7.149
307 1HD1 LEU 42 1HD1 LEU 42 0.826 -3.969 9.443
308 2HD1 LEU 42 2HD1 LEU 42 0.077 -5.285 8.539
309 3HD1 LEU 42 3HD1 LEU 42 -0.450 -3.622 8.276
310 1HD2 LEU 42 1HD2 LEU 42 0.982 -2.434 6.136
311 2HD2 LEU 42 2HD2 LEU 42 -0.244 -3.703 6.141
312 3HD2 LEU 42 3HD2 LEU 42 1.272 -3.942 5.271
313 H SER 43 H SER 43 5.790 -3.909 8.216
314 HA SER 43 HA SER 43 6.535 -1.622 9.589
315 1HB SER 43 2HB SER 43 7.476 -3.616 10.365
316 2HB SER 43 1HB SER 43 8.057 -4.075 8.764
317 HG SER 43 HG SER 43 9.555 -3.098 10.490
318 H THR 44 H THR 44 7.046 -2.390 6.276
319 HA THR 44 HA THR 44 9.132 -0.365 6.006
320 HB THR 44 HB THR 44 9.787 -1.400 4.107
321 HG1 THR 44 HG1 THR 44 7.095 -2.024 3.478
322 1HG2 THR 44 1HG2 THR 44 9.348 -3.749 3.968
323 2HG2 THR 44 2HG2 THR 44 7.919 -3.578 4.986
324 3HG2 THR 44 3HG2 THR 44 9.522 -3.290 5.662
325 H ILE 45 H ILE 45 5.756 -0.757 5.557
326 HA ILE 45 HA ILE 45 5.240 1.089 3.537
327 HB ILE 45 HB ILE 45 3.527 0.496 5.954
328 1HG1 ILE 45 2HG1 ILE 45 4.160 -1.501 4.623
329 2HG1 ILE 45 1HG1 ILE 45 2.434 -1.160 4.555
330 1HG2 ILE 45 1HG2 ILE 45 3.129 2.160 3.560
331 2HG2 ILE 45 2HG2 ILE 45 2.358 2.243 5.144
332 3HG2 ILE 45 3HG2 ILE 45 1.800 1.067 3.953
333 1HD1 ILE 45 1HD1 ILE 45 2.538 -1.163 2.350
334 2HD1 ILE 45 2HD1 ILE 45 4.274 -1.461 2.424
335 3HD1 ILE 45 3HD1 ILE 45 3.664 0.194 2.399
336 H ASP 46 H ASP 46 6.628 2.854 3.770
337 HA ASP 46 HA ASP 46 6.764 4.439 6.120
338 1HB ASP 46 2HB ASP 46 8.319 4.249 3.939
339 2HB ASP 46 1HB ASP 46 7.395 5.681 3.500
340 H LYS 47 H LYS 47 4.678 4.447 3.321
341 HA LYS 47 HA LYS 47 3.149 6.628 4.545
342 1HB LYS 47 2HB LYS 47 4.230 6.525 1.757
343 2HB LYS 47 1HB LYS 47 2.755 7.413 2.089
344 1HG LYS 47 2HG LYS 47 4.216 8.516 3.961
345 2HG LYS 47 1HG LYS 47 5.550 7.949 2.954
346 1HD LYS 47 2HD LYS 47 4.054 9.069 1.053
347 2HD LYS 47 1HD LYS 47 3.518 10.045 2.422
348 1HE LYS 47 2HE LYS 47 6.304 9.728 1.334
349 2HE LYS 47 1HE LYS 47 5.341 11.201 1.458
350 1HZ LYS 47 1HZ LYS 47 6.805 9.757 3.552
351 2HZ LYS 47 2HZ LYS 47 5.424 10.632 3.984
352 3HZ LYS 47 3HZ LYS 47 6.726 11.419 3.246
353 H LEU 48 H LEU 48 0.959 6.510 4.303
354 HA LEU 48 HA LEU 48 -0.092 4.253 2.755
355 1HB LEU 48 2HB LEU 48 -0.818 3.324 4.636
356 2HB LEU 48 1HB LEU 48 -0.192 4.666 5.572
357 HG LEU 48 HG LEU 48 -2.392 5.843 4.890
358 1HD1 LEU 48 1HD1 LEU 48 -3.705 3.232 4.934
359 2HD1 LEU 48 2HD1 LEU 48 -2.782 3.553 3.466
360 3HD1 LEU 48 3HD1 LEU 48 -4.056 4.664 3.967
361 1HD2 LEU 48 1HD2 LEU 48 -2.886 3.625 6.801
362 2HD2 LEU 48 2HD2 LEU 48 -3.215 5.351 6.961
363 3HD2 LEU 48 3HD2 LEU 48 -1.569 4.746 7.147
364 H GLN 49 H GLN 49 -1.514 4.834 1.262
365 HA GLN 49 HA GLN 49 -2.831 7.454 1.553
366 1HB GLN 49 2HB GLN 49 -1.816 6.029 -0.902
367 2HB GLN 49 1HB GLN 49 -2.941 7.378 -0.993
368 1HG GLN 49 2HG GLN 49 -1.314 8.803 0.154
369 2HG GLN 49 1HG GLN 49 -0.185 7.449 0.219
370 1HE2 GLN 49 1HE2 GLN 49 -1.525 9.958 -1.693
371 2HE2 GLN 49 2HE2 GLN 49 -0.579 9.687 -3.114
372 H ALA 50 H ALA 50 -4.990 7.612 1.220
373 HA ALA 50 HA ALA 50 -6.464 5.282 0.248
374 1HB ALA 50 1HB ALA 50 -6.599 4.780 2.512
375 2HB ALA 50 2HB ALA 50 -8.088 5.676 2.214
376 3HB ALA 50 3HB ALA 50 -6.715 6.475 2.984
377 H THR 51 H THR 51 -8.419 5.766 -0.704
378 HA THR 51 HA THR 51 -8.746 8.472 -1.584
379 HB THR 51 HB THR 51 -10.784 7.530 -2.745
380 HG1 THR 51 HG1 THR 51 -11.466 5.761 -1.840
381 1HG2 THR 51 1HG2 THR 51 -8.821 7.568 -4.048
382 2HG2 THR 51 2HG2 THR 51 -9.506 5.952 -4.226
383 3HG2 THR 51 3HG2 THR 51 -8.121 6.212 -3.165
384 HA PRO 52 HA PRO 52 -11.233 9.553 2.021
385 1HB PRO 52 2HB PRO 52 -11.769 12.111 1.189
386 2HB PRO 52 1HB PRO 52 -10.285 11.631 2.020
387 1HG PRO 52 2HG PRO 52 -10.777 12.026 -0.905
388 2HG PRO 52 1HG PRO 52 -9.379 12.511 0.072
389 1HD PRO 52 2HD PRO 52 -9.317 10.336 -1.505
390 2HD PRO 52 1HD PRO 52 -8.469 10.382 0.055
391 H ALA 53 H ALA 53 -13.431 10.184 2.425
392 HA ALA 53 HA ALA 53 -15.316 8.956 0.794
393 1HB ALA 53 1HB ALA 53 -16.145 11.213 2.557
394 2HB ALA 53 2HB ALA 53 -15.427 9.771 3.279
395 3HB ALA 53 3HB ALA 53 -16.898 9.636 2.314
396 H SER 54 H SER 54 -14.396 12.374 0.998
397 HA SER 54 HA SER 54 -16.329 13.411 -0.726
398 1HB SER 54 2HB SER 54 -13.488 14.398 -0.395
399 2HB SER 54 1HB SER 54 -14.863 15.336 -0.977
400 HG SER 54 HG SER 54 -14.398 15.695 1.253
401 H SER 55 H SER 55 -13.442 11.633 -1.364
402 HA SER 55 HA SER 55 -13.396 12.265 -4.172
403 1HB SER 55 2HB SER 55 -11.297 11.882 -2.893
404 2HB SER 55 1HB SER 55 -11.788 10.205 -2.653
405 HG SER 55 HG SER 55 -11.542 11.377 -5.218
406 H GLU 56 H GLU 56 -14.675 11.312 -5.588
407 HA GLU 56 HA GLU 56 -16.393 9.191 -5.039
408 1HB GLU 56 2HB GLU 56 -16.634 10.796 -6.930
409 2HB GLU 56 1HB GLU 56 -15.307 9.981 -7.747
410 1HG GLU 56 2HG GLU 56 -16.634 7.899 -7.743
411 2HG GLU 56 1HG GLU 56 -17.976 8.791 -7.028
412 H LYS 57 H LYS 57 -13.050 9.188 -5.727
413 HA LYS 57 HA LYS 57 -12.785 6.639 -6.919
414 1HB LYS 57 2HB LYS 57 -10.730 7.965 -5.154
415 2HB LYS 57 1HB LYS 57 -10.452 6.828 -6.466
416 1HG LYS 57 2HG LYS 57 -11.396 9.675 -6.697
417 2HG LYS 57 1HG LYS 57 -9.841 9.016 -7.204
418 1HD LYS 57 2HD LYS 57 -11.130 7.515 -8.775
419 2HD LYS 57 1HD LYS 57 -12.556 8.482 -8.391
420 1HE LYS 57 2HE LYS 57 -9.990 9.666 -9.431
421 2HE LYS 57 1HE LYS 57 -11.304 9.141 -10.483
422 1HZ LYS 57 1HZ LYS 57 -11.606 11.433 -10.130
423 2HZ LYS 57 2HZ LYS 57 -11.354 11.305 -8.462
424 3HZ LYS 57 3HZ LYS 57 -12.762 10.675 -9.154
425 H MET 58 H MET 58 -11.852 4.717 -5.929
426 HA MET 58 HA MET 58 -12.313 4.418 -3.054
427 1HB MET 58 2HB MET 58 -13.482 2.513 -5.084
428 2HB MET 58 1HB MET 58 -13.652 2.428 -3.337
429 1HG MET 58 2HG MET 58 -14.762 4.729 -3.533
430 2HG MET 58 1HG MET 58 -14.896 4.360 -5.251
431 1HE MET 58 1HE MET 58 -16.786 1.826 -1.906
432 2HE MET 58 2HE MET 58 -15.468 2.984 -1.714
433 3HE MET 58 3HE MET 58 -15.178 1.441 -2.516
434 H MET 59 H MET 59 -9.952 4.363 -3.101
435 HA MET 59 HA MET 59 -8.989 1.652 -3.420
436 1HB MET 59 2HB MET 59 -7.644 3.905 -4.917
437 2HB MET 59 1HB MET 59 -7.118 2.229 -4.862
438 1HG MET 59 2HG MET 59 -9.179 1.558 -6.007
439 2HG MET 59 1HG MET 59 -9.669 3.249 -6.089
440 1HE MET 59 1HE MET 59 -6.127 4.194 -6.929
441 2HE MET 59 2HE MET 59 -7.703 4.927 -6.631
442 3HE MET 59 3HE MET 59 -7.044 4.888 -8.267
443 H LEU 60 H LEU 60 -6.652 1.488 -2.742
444 HA LEU 60 HA LEU 60 -5.828 3.551 -0.838
445 1HB LEU 60 2HB LEU 60 -7.075 1.168 -0.048
446 2HB LEU 60 1HB LEU 60 -5.368 0.905 0.247
447 HG LEU 60 HG LEU 60 -5.785 3.415 1.312
448 1HD1 LEU 60 1HD1 LEU 60 -8.230 1.718 1.714
449 2HD1 LEU 60 2HD1 LEU 60 -8.132 3.398 1.184
450 3HD1 LEU 60 3HD1 LEU 60 -7.752 2.976 2.854
451 1HD2 LEU 60 1HD2 LEU 60 -5.901 2.010 3.511
452 2HD2 LEU 60 2HD2 LEU 60 -4.442 1.993 2.519
453 3HD2 LEU 60 3HD2 LEU 60 -5.587 0.656 2.426
454 H ARG 61 H ARG 61 -3.732 4.003 -1.150
455 HA ARG 61 HA ARG 61 -2.061 1.948 -2.454
456 1HB ARG 61 2HB ARG 61 -2.575 4.145 -3.672
457 2HB ARG 61 1HB ARG 61 -1.503 4.906 -2.505
458 1HG ARG 61 2HG ARG 61 0.331 3.487 -3.235
459 2HG ARG 61 1HG ARG 61 -0.741 2.671 -4.375
460 1HD ARG 61 2HD ARG 61 -1.141 4.893 -5.455
461 2HD ARG 61 1HD ARG 61 0.114 5.561 -4.411
462 HE ARG 61 HE ARG 61 1.366 3.488 -5.599
463 1HH1 ARG 61 1HH1 ARG 61 -0.502 6.156 -6.854
464 2HH1 ARG 61 2HH1 ARG 61 0.362 6.219 -8.354
465 1HH2 ARG 61 1HH2 ARG 61 2.502 3.569 -7.571
466 2HH2 ARG 61 2HH2 ARG 61 2.068 4.750 -8.761
467 H LEU 62 H LEU 62 -0.145 1.368 -1.593
468 HA LEU 62 HA LEU 62 0.630 2.629 0.961
469 1HB LEU 62 2HB LEU 62 0.983 -0.195 -0.043
470 2HB LEU 62 1HB LEU 62 1.794 0.420 1.380
471 HG LEU 62 HG LEU 62 -0.035 0.201 2.681
472 1HD1 LEU 62 1HD1 LEU 62 -2.310 0.715 2.044
473 2HD1 LEU 62 2HD1 LEU 62 -1.830 0.865 0.352
474 3HD1 LEU 62 3HD1 LEU 62 -1.236 2.023 1.543
475 1HD2 LEU 62 1HD2 LEU 62 0.246 -1.956 1.386
476 2HD2 LEU 62 2HD2 LEU 62 -1.149 -1.450 0.432
477 3HD2 LEU 62 3HD2 LEU 62 -1.316 -1.710 2.168
478 H ILE 63 H ILE 63 2.784 3.158 1.316
479 HA ILE 63 HA ILE 63 4.521 3.006 -1.063
480 HB ILE 63 HB ILE 63 5.097 5.005 1.064
481 1HG1 ILE 63 2HG1 ILE 63 2.673 5.284 0.673
482 2HG1 ILE 63 1HG1 ILE 63 3.595 6.655 0.068
483 1HG2 ILE 63 1HG2 ILE 63 5.527 4.704 -1.874
484 2HG2 ILE 63 2HG2 ILE 63 6.698 5.008 -0.589
485 3HG2 ILE 63 3HG2 ILE 63 5.621 6.299 -1.124
486 1HD1 ILE 63 1HD1 ILE 63 3.368 5.875 -2.178
487 2HD1 ILE 63 2HD1 ILE 63 1.782 5.968 -1.414
488 3HD1 ILE 63 3HD1 ILE 63 2.569 4.404 -1.625
489 H GLY 64 H GLY 64 6.301 1.819 -0.876
490 1HA GLY 64 2HA GLY 64 7.061 0.817 1.755
491 2HA GLY 64 1HA GLY 64 7.658 0.237 0.207
492 H LYS 65 H LYS 65 8.752 1.490 2.895
493 HA LYS 65 HA LYS 65 10.147 3.794 2.482
494 1HB LYS 65 2HB LYS 65 10.770 1.313 4.026
495 2HB LYS 65 1HB LYS 65 11.996 2.567 3.902
496 1HG LYS 65 2HG LYS 65 10.377 4.189 4.822
497 2HG LYS 65 1HG LYS 65 9.221 2.871 5.029
498 1HD LYS 65 2HD LYS 65 10.879 1.721 6.480
499 2HD LYS 65 1HD LYS 65 11.920 3.141 6.349
500 1HE LYS 65 2HE LYS 65 10.595 4.407 7.696
501 2HE LYS 65 1HE LYS 65 9.116 3.593 7.188
502 1HZ LYS 65 1HZ LYS 65 9.602 1.761 8.594
503 2HZ LYS 65 2HZ LYS 65 9.799 3.158 9.527
504 3HZ LYS 65 3HZ LYS 65 11.156 2.338 8.938
505 H VAL 66 H VAL 66 12.277 4.310 1.784
506 HA VAL 66 HA VAL 66 13.405 2.392 -0.145
507 HB VAL 66 HB VAL 66 12.227 4.571 -1.007
508 1HG1 VAL 66 1HG1 VAL 66 13.927 5.872 0.565
509 2HG1 VAL 66 2HG1 VAL 66 13.318 6.553 -0.942
510 3HG1 VAL 66 3HG1 VAL 66 14.911 5.798 -0.896
511 1HG2 VAL 66 1HG2 VAL 66 14.139 2.837 -2.033
512 2HG2 VAL 66 2HG2 VAL 66 14.718 4.450 -2.450
513 3HG2 VAL 66 3HG2 VAL 66 13.104 3.938 -2.942
514 H ASP 67 H ASP 67 15.662 3.908 -0.807
515 HA ASP 67 HA ASP 67 17.166 4.886 1.323
516 1HB ASP 67 2HB ASP 67 16.793 2.313 1.877
517 2HB ASP 67 1HB ASP 67 18.133 2.118 0.753
518 H GLU 68 H GLU 68 16.931 5.765 -1.169
519 HA GLU 68 HA GLU 68 18.671 4.800 -3.112
520 1HB GLU 68 2HB GLU 68 17.805 7.647 -2.591
521 2HB GLU 68 1HB GLU 68 18.585 7.092 -4.066
522 1HG GLU 68 2HG GLU 68 16.692 5.564 -4.455
523 2HG GLU 68 1HG GLU 68 15.904 6.213 -3.018
524 H SER 69 H SER 69 19.352 6.487 -0.202
525 HA SER 69 HA SER 69 21.818 7.662 -0.889
526 1HB SER 69 2HB SER 69 20.883 6.651 1.807
527 2HB SER 69 1HB SER 69 22.233 7.753 1.534
528 HG SER 69 HG SER 69 19.513 8.246 0.879
529 H LYS 70 H LYS 70 20.940 4.395 -0.558
530 HA LYS 70 HA LYS 70 23.398 3.352 0.419
531 1HB LYS 70 2HB LYS 70 21.169 2.065 -1.162
532 2HB LYS 70 1HB LYS 70 22.533 1.184 -0.489
533 1HG LYS 70 2HG LYS 70 21.591 2.577 1.678
534 2HG LYS 70 1HG LYS 70 20.117 2.161 0.802
535 1HD LYS 70 2HD LYS 70 22.272 0.179 1.514
536 2HD LYS 70 1HD LYS 70 20.830 0.464 2.492
537 1HE LYS 70 2HE LYS 70 19.705 0.063 0.074
538 2HE LYS 70 1HE LYS 70 21.137 -0.954 -0.075
539 1HZ LYS 70 1HZ LYS 70 20.387 -2.394 1.472
540 2HZ LYS 70 2HZ LYS 70 18.876 -1.799 1.001
541 3HZ LYS 70 3HZ LYS 70 19.620 -1.201 2.397
542 H LYS 71 H LYS 71 22.059 3.752 -2.848
543 HA LYS 71 HA LYS 71 23.039 3.784 -4.900
544 1HB LYS 71 2HB LYS 71 25.566 4.289 -3.317
545 2HB LYS 71 1HB LYS 71 25.379 4.528 -5.049
546 1HG LYS 71 2HG LYS 71 23.323 6.018 -4.004
547 2HG LYS 71 1HG LYS 71 24.621 6.249 -2.831
548 1HD LYS 71 2HD LYS 71 26.122 6.984 -4.577
549 2HD LYS 71 1HD LYS 71 24.908 6.634 -5.809
550 1HE LYS 71 2HE LYS 71 23.979 8.422 -3.684
551 2HE LYS 71 1HE LYS 71 25.312 9.071 -4.637
552 1HZ LYS 71 1HZ LYS 71 22.568 8.539 -5.413
553 2HZ LYS 71 2HZ LYS 71 23.738 8.121 -6.561
554 3HZ LYS 71 3HZ LYS 71 23.649 9.710 -5.983
555 H ARG 72 H ARG 72 22.672 1.658 -5.458
556 HA ARG 72 HA ARG 72 24.817 -0.263 -4.864
557 1HB ARG 72 2HB ARG 72 23.272 -1.996 -5.007
558 2HB ARG 72 1HB ARG 72 22.351 -0.711 -4.240
559 1HG ARG 72 2HG ARG 72 20.857 -1.476 -5.799
560 2HG ARG 72 1HG ARG 72 21.627 -0.158 -6.686
561 1HD ARG 72 2HD ARG 72 22.379 -1.559 -8.236
562 2HD ARG 72 1HD ARG 72 23.121 -2.588 -7.012
563 HE ARG 72 HE ARG 72 20.598 -3.003 -8.342
564 1HH1 ARG 72 1HH1 ARG 72 22.521 -3.760 -5.528
565 2HH1 ARG 72 2HH1 ARG 72 21.675 -5.232 -5.192
566 1HH2 ARG 72 1HH2 ARG 72 19.485 -4.940 -7.900
567 2HH2 ARG 72 2HH2 ARG 72 19.952 -5.902 -6.537
568 H LYS 73 H LYS 73 25.639 -1.608 -6.518
569 HA LYS 73 HA LYS 73 25.756 -0.281 -9.093
570 1HB LYS 73 2HB LYS 73 27.204 -2.704 -8.014
571 2HB LYS 73 1HB LYS 73 27.484 -2.006 -9.604
572 1HG LYS 73 2HG LYS 73 27.681 -0.093 -7.397
573 2HG LYS 73 1HG LYS 73 28.878 -1.389 -7.356
574 1HD LYS 73 2HD LYS 73 29.182 -0.807 -9.880
575 2HD LYS 73 1HD LYS 73 28.439 0.726 -9.423
576 1HE LYS 73 2HE LYS 73 31.001 -0.481 -8.417
577 2HE LYS 73 1HE LYS 73 30.769 1.057 -9.246
578 1HZ LYS 73 1HZ LYS 73 30.848 1.867 -7.170
579 2HZ LYS 73 2HZ LYS 73 30.430 0.398 -6.446
580 3HZ LYS 73 3HZ LYS 73 29.225 1.392 -7.095
581 H ASP 74 H ASP 74 25.165 -1.169 -11.058
582 HA ASP 74 HA ASP 74 23.135 -3.265 -10.881
583 1HB ASP 74 2HB ASP 74 22.482 -2.538 -13.145
584 2HB ASP 74 1HB ASP 74 22.477 -1.199 -12.002
585 H ASN 75 H ASN 75 23.034 -4.590 -13.071
586 HA ASN 75 HA ASN 75 25.207 -6.351 -13.041
587 1HB ASN 75 2HB ASN 75 23.055 -5.961 -15.128
588 2HB ASN 75 1HB ASN 75 24.173 -7.320 -15.097
589 1HD2 ASN 75 1HD2 ASN 75 21.442 -7.667 -15.022
590 2HD2 ASN 75 2HD2 ASN 75 20.990 -8.295 -13.477
591 H GLU 76 H GLU 76 24.785 -3.379 -14.693
592 HA GLU 76 HA GLU 76 26.779 -3.971 -16.718
593 1HB GLU 76 2HB GLU 76 25.302 -1.408 -16.103
594 2HB GLU 76 1HB GLU 76 26.358 -1.666 -17.484
595 1HG GLU 76 2HG GLU 76 24.851 -3.455 -18.262
596 2HG GLU 76 1HG GLU 76 23.770 -3.091 -16.918
597 H GLY 77 H GLY 77 27.149 -3.525 -13.592
598 1HA GLY 77 2HA GLY 77 28.965 -2.911 -12.324
599 2HA GLY 77 1HA GLY 77 29.816 -2.559 -13.821
600 H ASN 78 H ASN 78 26.808 -0.964 -13.405
601 HA ASN 78 HA ASN 78 28.237 1.511 -12.682
602 1HB ASN 78 2HB ASN 78 25.760 1.187 -14.392
603 2HB ASN 78 1HB ASN 78 26.502 2.724 -13.954
604 1HD2 ASN 78 1HD2 ASN 78 26.375 0.282 -16.220
605 2HD2 ASN 78 2HD2 ASN 78 27.794 0.678 -17.119
606 H GLU 79 H GLU 79 27.294 2.916 -11.210
607 HA GLU 79 HA GLU 79 25.608 1.687 -9.251
608 1HB GLU 79 2HB GLU 79 26.588 4.537 -9.489
609 2HB GLU 79 1HB GLU 79 25.778 3.861 -8.081
610 1HG GLU 79 2HG GLU 79 27.957 3.684 -7.438
611 2HG GLU 79 1HG GLU 79 27.716 2.107 -8.188
612 H VAL 80 H VAL 80 23.496 2.128 -8.728
613 HA VAL 80 HA VAL 80 22.025 3.945 -10.514
614 HB VAL 80 HB VAL 80 20.306 2.437 -10.946
615 1HG1 VAL 80 1HG1 VAL 80 22.355 1.851 -12.154
616 2HG1 VAL 80 2HG1 VAL 80 21.339 0.440 -11.859
617 3HG1 VAL 80 3HG1 VAL 80 22.777 0.712 -10.875
618 1HG2 VAL 80 1HG2 VAL 80 19.619 1.497 -8.960
619 2HG2 VAL 80 2HG2 VAL 80 21.255 1.017 -8.502
620 3HG2 VAL 80 3HG2 VAL 80 20.383 0.102 -9.730
621 H VAL 81 H VAL 81 19.962 4.665 -9.655
622 HA VAL 81 HA VAL 81 20.047 4.879 -6.727
623 HB VAL 81 HB VAL 81 18.386 6.555 -8.610
624 1HG1 VAL 81 1HG1 VAL 81 19.360 7.439 -5.937
625 2HG1 VAL 81 2HG1 VAL 81 18.001 6.319 -6.023
626 3HG1 VAL 81 3HG1 VAL 81 17.898 7.894 -6.812
627 1HG2 VAL 81 1HG2 VAL 81 21.254 6.705 -7.963
628 2HG2 VAL 81 2HG2 VAL 81 20.366 8.222 -7.834
629 3HG2 VAL 81 3HG2 VAL 81 20.368 7.328 -9.354
630 HA PRO 82 HA PRO 82 16.848 1.639 -7.093
631 1HB PRO 82 2HB PRO 82 16.799 2.360 -4.188
632 2HB PRO 82 1HB PRO 82 16.755 0.766 -4.951
633 1HG PRO 82 2HG PRO 82 19.002 1.699 -3.860
634 2HG PRO 82 1HG PRO 82 19.033 0.746 -5.356
635 1HD PRO 82 2HD PRO 82 19.453 3.658 -4.959
636 2HD PRO 82 1HD PRO 82 20.103 2.577 -6.207
637 H LYS 83 H LYS 83 14.549 1.576 -6.554
638 HA LYS 83 HA LYS 83 13.393 4.271 -6.238
639 1HB LYS 83 2HB LYS 83 12.307 1.955 -7.855
640 2HB LYS 83 1HB LYS 83 11.522 3.514 -7.653
641 1HG LYS 83 2HG LYS 83 13.163 4.623 -8.920
642 2HG LYS 83 1HG LYS 83 14.262 3.245 -8.847
643 1HD LYS 83 2HD LYS 83 13.351 3.186 -11.013
644 2HD LYS 83 1HD LYS 83 12.467 1.953 -10.112
645 1HE LYS 83 2HE LYS 83 10.729 3.026 -11.147
646 2HE LYS 83 1HE LYS 83 10.816 3.945 -9.644
647 1HZ LYS 83 1HZ LYS 83 12.324 4.820 -12.022
648 2HZ LYS 83 2HZ LYS 83 11.802 5.734 -10.699
649 3HZ LYS 83 3HZ LYS 83 10.685 5.208 -11.857
650 HA PRO 84 HA PRO 84 11.231 2.794 -2.730
651 1HB PRO 84 2HB PRO 84 9.130 4.742 -3.338
652 2HB PRO 84 1HB PRO 84 10.257 4.691 -1.977
653 1HG PRO 84 2HG PRO 84 10.520 6.522 -3.880
654 2HG PRO 84 1HG PRO 84 11.947 5.757 -3.174
655 1HD PRO 84 2HD PRO 84 10.548 5.100 -5.748
656 2HD PRO 84 1HD PRO 84 12.281 5.386 -5.454
657 H GLN 85 H GLN 85 9.789 1.219 -2.290
658 HA GLN 85 HA GLN 85 8.261 0.043 -4.362
659 1HB GLN 85 2HB GLN 85 8.627 -0.430 -1.448
660 2HB GLN 85 1HB GLN 85 7.201 -1.125 -2.208
661 1HG GLN 85 2HG GLN 85 10.075 -1.623 -2.942
662 2HG GLN 85 1HG GLN 85 8.953 -2.754 -2.188
663 1HE2 GLN 85 1HE2 GLN 85 10.486 -2.344 -4.906
664 2HE2 GLN 85 2HE2 GLN 85 9.312 -2.868 -6.060
665 H ARG 86 H ARG 86 6.010 -0.106 -4.610
666 HA ARG 86 HA ARG 86 4.295 1.584 -2.992
667 1HB ARG 86 2HB ARG 86 5.126 2.261 -5.758
668 2HB ARG 86 1HB ARG 86 3.421 2.461 -5.381
669 1HG ARG 86 2HG ARG 86 3.808 4.146 -3.875
670 2HG ARG 86 1HG ARG 86 5.452 3.605 -3.530
671 1HD ARG 86 2HD ARG 86 5.906 5.450 -4.797
672 2HD ARG 86 1HD ARG 86 5.823 4.226 -6.064
673 HE ARG 86 HE ARG 86 3.920 5.225 -6.865
674 1HH1 ARG 86 1HH1 ARG 86 4.621 6.487 -3.688
675 2HH1 ARG 86 2HH1 ARG 86 3.428 7.739 -3.785
676 1HH2 ARG 86 1HH2 ARG 86 2.352 6.872 -6.995
677 2HH2 ARG 86 2HH2 ARG 86 2.139 7.957 -5.662
678 H HIS 87 H HIS 87 2.535 0.422 -2.598
679 HA HIS 87 HA HIS 87 1.727 -1.628 -4.542
680 1HB HIS 87 2HB HIS 87 0.942 -1.371 -1.632
681 2HB HIS 87 1HB HIS 87 0.562 -2.718 -2.701
682 HD1 HIS 87 HD1 HIS 87 2.772 -4.045 -3.616
683 HD2 HIS 87 HD2 HIS 87 3.242 -1.688 -0.227
684 HE1 HIS 87 HE1 HIS 87 4.892 -4.849 -2.528
685 HE2 HIS 87 HE2 HIS 87 5.108 -3.467 -0.432
686 H MET 88 H MET 88 -0.390 -1.773 -5.271
687 HA MET 88 HA MET 88 -2.111 0.533 -4.629
688 1HB MET 88 2HB MET 88 -1.137 0.735 -6.879
689 2HB MET 88 1HB MET 88 -1.805 -0.832 -7.309
690 1HG MET 88 2HG MET 88 -4.070 0.070 -6.939
691 2HG MET 88 1HG MET 88 -3.358 1.648 -6.611
692 1HE MET 88 1HE MET 88 -4.833 2.787 -8.392
693 2HE MET 88 2HE MET 88 -5.621 1.279 -8.858
694 3HE MET 88 3HE MET 88 -4.917 2.324 -10.091
695 H PHE 89 H PHE 89 -3.916 -0.053 -3.658
696 HA PHE 89 HA PHE 89 -5.147 -2.629 -4.385
697 1HB PHE 89 2HB PHE 89 -5.032 -1.359 -1.640
698 2HB PHE 89 1HB PHE 89 -5.936 -2.814 -2.042
699 HD1 PHE 89 HD1 PHE 89 -2.625 -1.390 -1.467
700 HD2 PHE 89 HD2 PHE 89 -4.801 -4.909 -2.458
701 HE1 PHE 89 HE1 PHE 89 -0.631 -2.750 -0.994
702 HE2 PHE 89 HE2 PHE 89 -2.811 -6.278 -1.986
703 HZ PHE 89 HZ PHE 89 -0.722 -5.198 -1.253
704 H SER 90 H SER 90 -7.361 -2.649 -4.642
705 HA SER 90 HA SER 90 -8.675 -0.018 -4.519
706 1HB SER 90 2HB SER 90 -10.251 -1.287 -6.241
707 2HB SER 90 1HB SER 90 -8.765 -0.495 -6.764
708 HG SER 90 HG SER 90 -8.918 -2.621 -7.576
709 H PHE 91 H PHE 91 -10.547 0.196 -3.426
710 HA PHE 91 HA PHE 91 -11.739 -2.242 -2.271
711 1HB PHE 91 2HB PHE 91 -11.416 0.475 -0.978
712 2HB PHE 91 1HB PHE 91 -12.329 -0.860 -0.285
713 HD1 PHE 91 HD1 PHE 91 -8.928 -0.033 -1.553
714 HD2 PHE 91 HD2 PHE 91 -11.279 -2.313 1.163
715 HE1 PHE 91 HE1 PHE 91 -6.876 -0.871 -0.486
716 HE2 PHE 91 HE2 PHE 91 -9.232 -3.156 2.236
717 HZ PHE 91 HZ PHE 91 -7.026 -2.436 1.410
718 H ASN 92 H ASN 92 -14.028 -2.120 -1.808
719 HA ASN 92 HA ASN 92 -15.422 -0.153 -3.502
720 1HB ASN 92 2HB ASN 92 -16.255 -3.001 -2.927
721 2HB ASN 92 1HB ASN 92 -17.131 -1.847 -3.926
722 1HD2 ASN 92 1HD2 ASN 92 -16.290 -4.343 -4.830
723 2HD2 ASN 92 2HD2 ASN 92 -15.098 -4.112 -6.058
724 H ASN 93 H ASN 93 -14.736 -0.256 -0.536
725 HA ASN 93 HA ASN 93 -17.374 0.563 0.376
726 1HB ASN 93 2HB ASN 93 -15.745 -1.559 1.792
727 2HB ASN 93 1HB ASN 93 -17.163 -0.765 2.469
728 1HD2 ASN 93 1HD2 ASN 93 -16.218 -3.526 1.171
729 2HD2 ASN 93 2HD2 ASN 93 -17.663 -4.026 0.364
730 H ARG 94 H ARG 94 -16.982 2.587 0.988
731 HA ARG 94 HA ARG 94 -14.535 3.679 1.686
732 1HB ARG 94 2HB ARG 94 -17.272 4.596 2.574
733 2HB ARG 94 1HB ARG 94 -15.809 5.569 2.610
734 1HG ARG 94 2HG ARG 94 -15.908 4.737 -0.000
735 2HG ARG 94 1HG ARG 94 -17.610 4.972 0.401
736 1HD ARG 94 2HD ARG 94 -16.982 7.229 1.303
737 2HD ARG 94 1HD ARG 94 -15.371 6.974 0.632
738 HE ARG 94 HE ARG 94 -17.771 7.634 -0.812
739 1HH1 ARG 94 1HH1 ARG 94 -14.584 6.229 -1.031
740 2HH1 ARG 94 2HH1 ARG 94 -14.435 6.523 -2.731
741 1HH2 ARG 94 1HH2 ARG 94 -17.577 8.022 -3.049
742 2HH2 ARG 94 2HH2 ARG 94 -16.133 7.540 -3.876
743 H THR 95 H THR 95 -16.827 1.951 3.634
744 HA THR 95 HA THR 95 -15.763 2.704 6.151
745 HB THR 95 HB THR 95 -17.230 0.203 5.965
746 HG1 THR 95 HG1 THR 95 -19.032 0.963 5.066
747 1HG2 THR 95 1HG2 THR 95 -18.695 1.251 7.574
748 2HG2 THR 95 2HG2 THR 95 -17.869 2.788 7.324
749 3HG2 THR 95 3HG2 THR 95 -17.008 1.434 8.054
750 H VAL 96 H VAL 96 -15.682 -0.335 4.284
751 HA VAL 96 HA VAL 96 -13.974 -1.744 5.970
752 HB VAL 96 HB VAL 96 -14.102 -1.983 2.958
753 1HG1 VAL 96 1HG1 VAL 96 -13.670 -4.395 4.548
754 2HG1 VAL 96 2HG1 VAL 96 -12.369 -3.214 4.691
755 3HG1 VAL 96 3HG1 VAL 96 -12.836 -3.822 3.104
756 1HG2 VAL 96 1HG2 VAL 96 -16.058 -3.080 3.105
757 2HG2 VAL 96 2HG2 VAL 96 -16.224 -2.224 4.638
758 3HG2 VAL 96 3HG2 VAL 96 -15.615 -3.879 4.614
759 H MET 97 H MET 97 -13.190 0.287 3.163
760 HA MET 97 HA MET 97 -10.398 -0.069 3.299
761 1HB MET 97 2HB MET 97 -10.307 2.060 1.979
762 2HB MET 97 1HB MET 97 -11.353 0.827 1.293
763 1HG MET 97 2HG MET 97 -12.949 2.350 1.189
764 2HG MET 97 1HG MET 97 -13.009 2.319 2.948
765 1HE MET 97 1HE MET 97 -10.014 4.959 0.781
766 2HE MET 97 2HE MET 97 -11.473 4.669 -0.170
767 3HE MET 97 3HE MET 97 -10.497 3.309 0.386
768 H ASP 98 H ASP 98 -12.625 2.132 4.879
769 HA ASP 98 HA ASP 98 -10.754 3.917 5.962
770 1HB ASP 98 2HB ASP 98 -13.570 3.182 6.541
771 2HB ASP 98 1HB ASP 98 -12.685 3.993 7.832
772 H ASN 99 H ASN 99 -11.889 0.789 7.001
773 HA ASN 99 HA ASN 99 -10.732 0.848 9.595
774 1HB ASN 99 2HB ASN 99 -11.429 -1.530 7.853
775 2HB ASN 99 1HB ASN 99 -11.067 -1.597 9.576
776 1HD2 ASN 99 1HD2 ASN 99 -13.500 -2.172 7.857
777 2HD2 ASN 99 2HD2 ASN 99 -14.781 -1.339 8.663
778 H ILE 100 H ILE 100 -9.593 -0.082 6.418
779 HA ILE 100 HA ILE 100 -7.164 -1.300 7.271
780 HB ILE 100 HB ILE 100 -7.757 -0.040 4.590
781 1HG1 ILE 100 2HG1 ILE 100 -9.460 -1.735 5.335
782 2HG1 ILE 100 1HG1 ILE 100 -8.599 -2.163 3.861
783 1HG2 ILE 100 1HG2 ILE 100 -5.659 -1.930 5.584
784 2HG2 ILE 100 2HG2 ILE 100 -5.476 -0.462 4.624
785 3HG2 ILE 100 3HG2 ILE 100 -6.137 -1.921 3.886
786 1HD1 ILE 100 1HD1 ILE 100 -8.989 -3.839 5.922
787 2HD1 ILE 100 2HD1 ILE 100 -7.413 -3.166 6.355
788 3HD1 ILE 100 3HD1 ILE 100 -7.640 -3.959 4.790
789 H LYS 101 H LYS 101 -7.917 1.866 5.853
790 HA LYS 101 HA LYS 101 -5.334 2.936 6.012
791 1HB LYS 101 2HB LYS 101 -7.316 3.820 4.696
792 2HB LYS 101 1HB LYS 101 -7.893 4.515 6.203
793 1HG LYS 101 2HG LYS 101 -5.304 5.408 6.087
794 2HG LYS 101 1HG LYS 101 -5.803 5.430 4.395
795 1HD LYS 101 2HD LYS 101 -7.126 6.817 6.722
796 2HD LYS 101 1HD LYS 101 -6.320 7.562 5.341
797 1HE LYS 101 2HE LYS 101 -8.237 7.586 4.222
798 2HE LYS 101 1HE LYS 101 -8.348 5.832 4.354
799 1HZ LYS 101 1HZ LYS 101 -9.678 7.898 5.906
800 2HZ LYS 101 2HZ LYS 101 -9.163 6.540 6.773
801 3HZ LYS 101 3HZ LYS 101 -10.219 6.358 5.465
802 H MET 102 H MET 102 -7.837 2.579 8.364
803 HA MET 102 HA MET 102 -6.727 4.453 10.243
804 1HB MET 102 2HB MET 102 -8.982 2.483 10.288
805 2HB MET 102 1HB MET 102 -8.383 3.141 11.804
806 1HG MET 102 2HG MET 102 -8.767 5.423 10.873
807 2HG MET 102 1HG MET 102 -9.547 4.663 9.488
808 1HE MET 102 1HE MET 102 -11.003 2.146 11.085
809 2HE MET 102 2HE MET 102 -11.627 3.057 9.712
810 3HE MET 102 3HE MET 102 -12.604 2.881 11.168
811 H THR 103 H THR 103 -6.734 0.951 9.791
812 HA THR 103 HA THR 103 -5.218 0.465 12.184
813 HB THR 103 HB THR 103 -6.660 -1.085 10.246
814 HG1 THR 103 HG1 THR 103 -7.156 -2.039 12.036
815 1HG2 THR 103 1HG2 THR 103 -4.613 -1.820 9.317
816 2HG2 THR 103 2HG2 THR 103 -5.237 -3.108 10.353
817 3HG2 THR 103 3HG2 THR 103 -3.919 -2.076 10.917
818 H LEU 104 H LEU 104 -4.532 0.957 8.793
819 HA LEU 104 HA LEU 104 -1.880 -0.004 8.809
820 1HB LEU 104 2HB LEU 104 -3.494 1.747 7.026
821 2HB LEU 104 1HB LEU 104 -1.752 1.765 6.835
822 HG LEU 104 HG LEU 104 -3.441 -0.733 6.693
823 1HD1 LEU 104 1HD1 LEU 104 -3.220 -0.623 4.309
824 2HD1 LEU 104 2HD1 LEU 104 -2.231 0.832 4.422
825 3HD1 LEU 104 3HD1 LEU 104 -3.935 0.886 4.877
826 1HD2 LEU 104 1HD2 LEU 104 -0.803 -0.566 7.230
827 2HD2 LEU 104 2HD2 LEU 104 -0.768 -0.587 5.467
828 3HD2 LEU 104 3HD2 LEU 104 -1.546 -1.901 6.349
829 H GLN 105 H GLN 105 -3.298 3.159 9.445
830 HA GLN 105 HA GLN 105 -0.902 4.614 9.622
831 1HB GLN 105 2HB GLN 105 -3.708 5.019 10.506
832 2HB GLN 105 1HB GLN 105 -2.478 6.016 11.271
833 1HG GLN 105 2HG GLN 105 -1.916 6.126 8.542
834 2HG GLN 105 1HG GLN 105 -3.671 6.245 8.665
835 1HE2 GLN 105 1HE2 GLN 105 -3.898 8.363 8.171
836 2HE2 GLN 105 2HE2 GLN 105 -3.268 9.654 9.131
837 H GLN 106 H GLN 106 -2.516 2.515 11.850
838 HA GLN 106 HA GLN 106 -1.192 3.391 14.208
839 1HB GLN 106 2HB GLN 106 -2.538 0.766 13.552
840 2HB GLN 106 1HB GLN 106 -1.966 1.214 15.153
841 1HG GLN 106 2HG GLN 106 -4.118 2.587 13.563
842 2HG GLN 106 1HG GLN 106 -4.338 1.581 14.993
843 1HE2 GLN 106 1HE2 GLN 106 -4.675 4.566 14.155
844 2HE2 GLN 106 2HE2 GLN 106 -4.073 5.410 15.537
845 H ILE 107 H ILE 107 -0.490 0.962 11.760
846 HA ILE 107 HA ILE 107 1.669 -0.254 13.147
847 HB ILE 107 HB ILE 107 1.113 -0.207 10.175
848 1HG1 ILE 107 2HG1 ILE 107 0.544 -2.626 11.763
849 2HG1 ILE 107 1HG1 ILE 107 -0.492 -1.249 12.123
850 1HG2 ILE 107 1HG2 ILE 107 2.922 -1.933 11.858
851 2HG2 ILE 107 2HG2 ILE 107 3.377 -0.867 10.530
852 3HG2 ILE 107 3HG2 ILE 107 2.447 -2.331 10.207
853 1HD1 ILE 107 1HD1 ILE 107 -1.577 -1.399 10.170
854 2HD1 ILE 107 2HD1 ILE 107 -0.971 -3.056 10.182
855 3HD1 ILE 107 3HD1 ILE 107 -0.119 -1.810 9.269
856 H ILE 108 H ILE 108 1.542 2.227 10.599
857 HA ILE 108 HA ILE 108 4.299 2.582 10.269
858 HB ILE 108 HB ILE 108 2.448 4.938 10.198
859 1HG1 ILE 108 2HG1 ILE 108 2.671 3.197 7.785
860 2HG1 ILE 108 1HG1 ILE 108 1.538 2.742 9.049
861 1HG2 ILE 108 1HG2 ILE 108 4.297 5.849 9.380
862 2HG2 ILE 108 2HG2 ILE 108 4.041 4.881 7.929
863 3HG2 ILE 108 3HG2 ILE 108 5.086 4.282 9.217
864 1HD1 ILE 108 1HD1 ILE 108 0.801 5.250 8.832
865 2HD1 ILE 108 2HD1 ILE 108 0.182 4.007 7.743
866 3HD1 ILE 108 3HD1 ILE 108 1.492 5.066 7.218
867 H SER 109 H SER 109 2.072 4.547 12.118
868 HA SER 109 HA SER 109 3.889 6.106 13.499
869 1HB SER 109 2HB SER 109 1.254 5.071 14.571
870 2HB SER 109 1HB SER 109 2.125 6.490 15.151
871 HG SER 109 HG SER 109 0.674 6.124 12.787
872 H ARG 110 H ARG 110 2.980 2.805 14.005
873 HA ARG 110 HA ARG 110 3.954 2.495 16.638
874 1HB ARG 110 2HB ARG 110 2.819 0.834 14.603
875 2HB ARG 110 1HB ARG 110 4.255 0.047 15.241
876 1HG ARG 110 2HG ARG 110 3.315 0.386 17.534
877 2HG ARG 110 1HG ARG 110 1.824 0.935 16.768
878 1HD ARG 110 2HD ARG 110 1.714 -1.233 15.558
879 2HD ARG 110 1HD ARG 110 3.123 -1.770 16.472
880 HE ARG 110 HE ARG 110 0.412 -1.589 17.410
881 1HH1 ARG 110 1HH1 ARG 110 3.770 -1.618 18.360
882 2HH1 ARG 110 2HH1 ARG 110 3.440 -2.170 19.967
883 1HH2 ARG 110 1HH2 ARG 110 -0.024 -2.316 19.524
884 2HH2 ARG 110 2HH2 ARG 110 1.286 -2.566 20.628
885 H TYR 111 H TYR 111 5.440 2.297 13.492
886 HA TYR 111 HA TYR 111 7.984 1.454 14.646
887 1HB TYR 111 2HB TYR 111 7.066 1.839 11.796
888 2HB TYR 111 1HB TYR 111 8.730 1.453 12.226
889 HD1 TYR 111 HD1 TYR 111 5.458 0.143 11.593
890 HD2 TYR 111 HD2 TYR 111 9.157 -0.705 13.516
891 HE1 TYR 111 HE1 TYR 111 4.880 -2.246 11.637
892 HE2 TYR 111 HE2 TYR 111 8.591 -3.097 13.561
893 HH TYR 111 HH TYR 111 5.774 -4.326 13.349
894 H LYS 112 H LYS 112 6.479 4.248 13.148
895 HA LYS 112 HA LYS 112 8.823 5.787 12.801
896 1HB LYS 112 2HB LYS 112 5.939 6.207 12.634
897 2HB LYS 112 1HB LYS 112 6.794 7.622 13.232
898 1HG LYS 112 2HG LYS 112 7.000 8.089 11.048
899 2HG LYS 112 1HG LYS 112 8.364 6.973 11.146
900 1HD LYS 112 2HD LYS 112 5.962 5.477 10.747
901 2HD LYS 112 1HD LYS 112 6.043 6.767 9.544
902 1HE LYS 112 2HE LYS 112 8.022 4.566 10.065
903 2HE LYS 112 1HE LYS 112 7.144 4.922 8.576
904 1HZ LYS 112 1HZ LYS 112 9.114 5.858 8.047
905 2HZ LYS 112 2HZ LYS 112 9.552 6.158 9.653
906 3HZ LYS 112 3HZ LYS 112 8.463 7.188 8.868
907 H ASP 113 H ASP 113 6.605 5.364 15.498
908 HA ASP 113 HA ASP 113 7.512 7.463 17.121
909 1HB ASP 113 2HB ASP 113 5.435 6.130 17.507
910 2HB ASP 113 1HB ASP 113 6.441 4.787 18.042
911 H ALA 114 H ALA 114 8.662 4.157 16.715
912 HA ALA 114 HA ALA 114 10.495 4.149 18.861
913 1HB ALA 114 1HB ALA 114 10.202 2.018 18.171
914 2HB ALA 114 2HB ALA 114 11.606 2.384 17.167
915 3HB ALA 114 3HB ALA 114 9.983 2.479 16.483
916 H ASP 115 H ASP 115 10.732 5.224 15.525
917 HA ASP 115 HA ASP 115 13.249 6.556 16.177
918 1HB ASP 115 2HB ASP 115 13.831 4.375 15.122
919 2HB ASP 115 1HB ASP 115 12.919 4.857 13.694
920 H LEU 45 1H LEU 45 -6.842 4.749 -16.749
921 HA LEU 45 HA LEU 45 -5.532 3.854 -18.370
922 1HB LEU 45 2HB LEU 45 -6.891 5.941 -18.904
923 2HB LEU 45 1HB LEU 45 -5.375 6.821 -18.873
924 HG LEU 45 HG LEU 45 -5.651 4.436 -20.658
925 1HD1 LEU 45 1HD1 LEU 45 -7.630 5.983 -20.972
926 2HD1 LEU 45 2HD1 LEU 45 -6.631 5.691 -22.396
927 3HD1 LEU 45 3HD1 LEU 45 -6.471 7.203 -21.501
928 1HD2 LEU 45 1HD2 LEU 45 -3.459 5.328 -20.506
929 2HD2 LEU 45 2HD2 LEU 45 -4.047 6.983 -20.679
930 3HD2 LEU 45 3HD2 LEU 45 -4.120 5.872 -22.048
931 H SER 46 H SER 46 -3.874 6.762 -17.142
932 HA SER 46 HA SER 46 -1.313 5.413 -17.691
933 1HB SER 46 2HB SER 46 -0.341 7.407 -18.453
934 2HB SER 46 1HB SER 46 -1.953 7.450 -19.164
935 HG SER 46 HG SER 46 -0.816 9.180 -17.455
936 HA PRO 47 HA PRO 47 0.112 5.931 -13.563
937 1HB PRO 47 2HB PRO 47 2.225 7.785 -14.555
938 2HB PRO 47 1HB PRO 47 2.378 6.341 -13.547
939 1HG PRO 47 2HG PRO 47 3.055 6.271 -16.118
940 2HG PRO 47 1HG PRO 47 2.225 4.898 -15.361
941 1HD PRO 47 2HD PRO 47 1.154 6.982 -17.209
942 2HD PRO 47 1HD PRO 47 0.735 5.261 -17.082
943 H ASP 48 H ASP 48 0.257 8.978 -15.396
944 HA ASP 48 HA ASP 48 0.101 10.727 -13.222
945 1HB ASP 48 2HB ASP 48 -0.834 11.061 -16.077
946 2HB ASP 48 1HB ASP 48 -0.784 12.375 -14.906
947 H ASP 49 H ASP 49 -2.356 8.878 -14.847
948 HA ASP 49 HA ASP 49 -4.580 10.337 -13.836
949 1HB ASP 49 2HB ASP 49 -4.403 7.534 -14.953
950 2HB ASP 49 1HB ASP 49 -5.906 8.380 -14.599
951 H ILE 50 H ILE 50 -3.057 7.259 -12.930
952 HA ILE 50 HA ILE 50 -4.740 6.572 -10.835
953 HB ILE 50 HB ILE 50 -1.776 6.024 -10.935
954 1HG1 ILE 50 2HG1 ILE 50 -2.742 5.336 -13.041
955 2HG1 ILE 50 1HG1 ILE 50 -2.449 3.900 -12.067
956 1HG2 ILE 50 1HG2 ILE 50 -3.527 5.489 -8.921
957 2HG2 ILE 50 2HG2 ILE 50 -2.058 4.571 -9.250
958 3HG2 ILE 50 3HG2 ILE 50 -3.609 4.003 -9.867
959 1HD1 ILE 50 1HD1 ILE 50 -4.984 5.082 -12.988
960 2HD1 ILE 50 2HD1 ILE 50 -4.980 4.386 -11.368
961 3HD1 ILE 50 3HD1 ILE 50 -4.531 3.394 -12.753
962 H GLU 51 H GLU 51 -2.109 8.840 -10.928
963 HA GLU 51 HA GLU 51 -2.002 9.171 -8.067
964 1HB GLU 51 2HB GLU 51 -0.410 10.980 -8.541
965 2HB GLU 51 1HB GLU 51 0.021 9.500 -9.386
966 1HG GLU 51 2HG GLU 51 -0.773 10.360 -11.456
967 2HG GLU 51 1HG GLU 51 -1.487 11.764 -10.665
968 H GLN 52 H GLN 52 -3.708 10.597 -10.724
969 HA GLN 52 HA GLN 52 -4.394 13.049 -9.487
970 1HB GLN 52 2HB GLN 52 -5.095 13.438 -11.570
971 2HB GLN 52 1HB GLN 52 -4.886 11.742 -11.974
972 1HG GLN 52 2HG GLN 52 -7.147 11.255 -11.307
973 2HG GLN 52 1HG GLN 52 -7.369 12.909 -10.738
974 1HE2 GLN 52 1HE2 GLN 52 -9.089 11.794 -12.557
975 2HE2 GLN 52 2HE2 GLN 52 -8.895 12.565 -14.089
976 H TRP 53 H TRP 53 -5.717 9.826 -9.348
977 HA TRP 53 HA TRP 53 -8.263 10.363 -8.346
978 1HB TRP 53 2HB TRP 53 -6.403 8.026 -7.917
979 2HB TRP 53 1HB TRP 53 -8.044 8.063 -7.279
980 HD1 TRP 53 HD1 TRP 53 -7.087 9.332 -10.788
981 HE1 TRP 53 HE1 TRP 53 -8.315 7.891 -12.531
982 HE3 TRP 53 HE3 TRP 53 -9.159 5.862 -7.658
983 HZ2 TRP 53 HZ2 TRP 53 -9.946 5.588 -12.574
984 HZ3 TRP 53 HZ3 TRP 53 -10.539 4.072 -8.630
985 HH2 TRP 53 HH2 TRP 53 -10.923 3.939 -11.037
986 H PHE 54 H PHE 54 -5.148 10.206 -6.724
987 HA PHE 54 HA PHE 54 -6.401 10.630 -4.123
988 1HB PHE 54 2HB PHE 54 -3.510 10.198 -4.895
989 2HB PHE 54 1HB PHE 54 -4.089 10.390 -3.244
990 HD1 PHE 54 HD1 PHE 54 -5.498 8.655 -2.217
991 HD2 PHE 54 HD2 PHE 54 -3.770 8.148 -6.072
992 HE1 PHE 54 HE1 PHE 54 -5.921 6.235 -2.084
993 HE2 PHE 54 HE2 PHE 54 -4.191 5.727 -5.946
994 HZ PHE 54 HZ PHE 54 -5.268 4.768 -3.951
995 H THR 55 H THR 55 -5.529 12.569 -6.626
996 HA THR 55 HA THR 55 -4.173 14.649 -5.214
997 HB THR 55 HB THR 55 -5.016 14.110 -7.933
998 HG1 THR 55 HG1 THR 55 -2.918 14.239 -7.781
999 1HG2 THR 55 1HG2 THR 55 -6.391 15.998 -7.910
1000 2HG2 THR 55 2HG2 THR 55 -4.856 16.555 -8.580
1001 3HG2 THR 55 3HG2 THR 55 -5.265 16.904 -6.899
1002 H GLU 56 H GLU 56 -7.489 13.854 -5.937
1003 HA GLU 56 HA GLU 56 -8.689 16.338 -5.473
1004 1HB GLU 56 2HB GLU 56 -9.775 13.566 -4.948
1005 2HB GLU 56 1HB GLU 56 -10.741 15.035 -4.984
1006 1HG GLU 56 2HG GLU 56 -10.076 15.374 -7.334
1007 2HG GLU 56 1HG GLU 56 -9.202 13.845 -7.280
1008 H ASP 57 H ASP 57 -9.353 17.404 -3.672
1009 HA ASP 57 HA ASP 57 -9.493 16.217 -1.091
1010 1HB ASP 57 2HB ASP 57 -6.999 17.629 -1.893
1011 2HB ASP 57 1HB ASP 57 -7.622 17.944 -0.275
1012 HA PRO 58 HA PRO 58 -11.848 20.170 -1.762
1013 1HB PRO 58 2HB PRO 58 -14.238 19.205 -0.924
1014 2HB PRO 58 1HB PRO 58 -13.670 19.037 -2.589
1015 1HG PRO 58 2HG PRO 58 -13.603 17.046 -0.354
1016 2HG PRO 58 1HG PRO 58 -14.041 16.803 -2.056
1017 1HD PRO 58 2HD PRO 58 -11.609 16.138 -1.060
1018 2HD PRO 58 1HD PRO 58 -11.843 16.686 -2.734
Start of MODEL 15
1 HT1 PRO 1 HT2 PRO 1 -14.384 -5.905 10.615
2 HT2 PRO 1 HT1 PRO 1 -13.685 -5.310 12.052
3 HA PRO 1 HA PRO 1 -13.656 -4.247 9.495
4 1HB PRO 1 2HB PRO 1 -14.329 -1.906 10.840
5 2HB PRO 1 1HB PRO 1 -15.344 -2.758 9.669
6 1HG PRO 1 2HG PRO 1 -15.419 -2.829 12.647
7 2HG PRO 1 1HG PRO 1 -16.751 -2.945 11.486
8 1HD PRO 1 2HD PRO 1 -15.785 -5.102 12.818
9 2HD PRO 1 1HD PRO 1 -16.449 -5.219 11.177
10 H SER 2 H SER 2 -11.850 -5.401 11.292
11 HA SER 2 HA SER 2 -9.966 -3.202 11.607
12 1HB SER 2 2HB SER 2 -10.590 -5.072 13.906
13 2HB SER 2 1HB SER 2 -9.402 -3.769 13.905
14 HG SER 2 HG SER 2 -11.499 -3.274 14.877
15 H HIS 3 H HIS 3 -8.083 -3.797 10.783
16 HA HIS 3 HA HIS 3 -6.329 -5.049 10.067
17 1HB HIS 3 2HB HIS 3 -7.318 -7.082 12.076
18 2HB HIS 3 1HB HIS 3 -5.720 -7.039 11.341
19 HD1 HIS 3 HD1 HIS 3 -7.888 -5.052 13.707
20 HD2 HIS 3 HD2 HIS 3 -3.903 -5.425 12.599
21 HE1 HIS 3 HE1 HIS 3 -6.609 -3.620 15.326
22 HE2 HIS 3 HE2 HIS 3 -4.185 -3.948 14.708
23 H SER 4 H SER 4 -8.936 -5.242 8.832
24 HA SER 4 HA SER 4 -8.377 -7.223 6.921
25 1HB SER 4 2HB SER 4 -10.953 -7.987 8.157
26 2HB SER 4 1HB SER 4 -9.725 -8.995 7.387
27 HG SER 4 HG SER 4 -8.559 -8.996 9.267
28 H GLY 5 H GLY 5 -9.505 -6.878 5.069
29 1HA GLY 5 2HA GLY 5 -12.038 -5.600 4.977
30 2HA GLY 5 1HA GLY 5 -10.754 -4.446 4.641
31 H ALA 6 H ALA 6 -12.916 -6.458 3.273
32 HA ALA 6 HA ALA 6 -11.687 -7.855 1.286
33 1HB ALA 6 1HB ALA 6 -14.279 -6.357 1.213
34 2HB ALA 6 2HB ALA 6 -14.012 -8.061 1.588
35 3HB ALA 6 3HB ALA 6 -13.757 -7.468 -0.055
36 H ALA 7 H ALA 7 -9.953 -7.074 0.274
37 HA ALA 7 HA ALA 7 -10.222 -4.514 -1.173
38 1HB ALA 7 1HB ALA 7 -7.570 -5.756 -0.596
39 2HB ALA 7 2HB ALA 7 -8.425 -4.899 0.689
40 3HB ALA 7 3HB ALA 7 -7.994 -4.055 -0.801
41 H ILE 8 H ILE 8 -9.345 -4.347 -3.294
42 HA ILE 8 HA ILE 8 -9.266 -6.918 -4.705
43 HB ILE 8 HB ILE 8 -10.041 -4.167 -5.537
44 1HG1 ILE 8 2HG1 ILE 8 -11.390 -6.229 -6.933
45 2HG1 ILE 8 1HG1 ILE 8 -11.230 -6.755 -5.261
46 1HG2 ILE 8 1HG2 ILE 8 -8.922 -6.196 -7.451
47 2HG2 ILE 8 2HG2 ILE 8 -8.306 -4.576 -7.135
48 3HG2 ILE 8 3HG2 ILE 8 -9.869 -4.788 -7.921
49 1HD1 ILE 8 1HD1 ILE 8 -12.189 -4.564 -4.577
50 2HD1 ILE 8 2HD1 ILE 8 -13.283 -5.633 -5.454
51 3HD1 ILE 8 3HD1 ILE 8 -12.533 -4.265 -6.281
52 H PHE 9 H PHE 9 -7.424 -7.696 -5.391
53 HA PHE 9 HA PHE 9 -5.122 -5.849 -5.578
54 1HB PHE 9 2HB PHE 9 -5.032 -7.730 -3.868
55 2HB PHE 9 1HB PHE 9 -4.935 -8.837 -5.234
56 HD1 PHE 9 HD1 PHE 9 -2.812 -9.647 -5.521
57 HD2 PHE 9 HD2 PHE 9 -3.333 -5.569 -4.415
58 HE1 PHE 9 HE1 PHE 9 -0.376 -9.311 -5.625
59 HE2 PHE 9 HE2 PHE 9 -0.898 -5.225 -4.520
60 HZ PHE 9 HZ PHE 9 0.582 -7.098 -5.126
61 H GLU 10 H GLU 10 -4.094 -5.602 -7.459
62 HA GLU 10 HA GLU 10 -3.667 -5.733 -9.693
63 1HB GLU 10 2HB GLU 10 -4.054 -8.696 -9.274
64 2HB GLU 10 1HB GLU 10 -3.163 -7.930 -10.582
65 1HG GLU 10 2HG GLU 10 -1.561 -7.042 -8.944
66 2HG GLU 10 1HG GLU 10 -2.437 -7.878 -7.663
67 H LYS 11 H LYS 11 -6.399 -5.285 -8.922
68 HA LYS 11 HA LYS 11 -8.372 -4.977 -10.029
69 1HB LYS 11 2HB LYS 11 -7.349 -6.718 -12.273
70 2HB LYS 11 1HB LYS 11 -8.629 -5.517 -12.335
71 1HG LYS 11 2HG LYS 11 -6.936 -3.759 -11.904
72 2HG LYS 11 1HG LYS 11 -5.684 -5.000 -12.009
73 1HD LYS 11 2HD LYS 11 -6.489 -5.533 -14.302
74 2HD LYS 11 1HD LYS 11 -7.604 -4.170 -14.183
75 1HE LYS 11 2HE LYS 11 -4.770 -3.609 -13.565
76 2HE LYS 11 1HE LYS 11 -5.142 -3.989 -15.247
77 1HZ LYS 11 1HZ LYS 11 -5.249 -1.569 -14.559
78 2HZ LYS 11 2HZ LYS 11 -6.669 -1.961 -13.728
79 3HZ LYS 11 3HZ LYS 11 -6.585 -2.173 -15.403
80 H VAL 12 H VAL 12 -7.163 -7.717 -8.787
81 HA VAL 12 HA VAL 12 -9.507 -9.357 -9.388
82 HB VAL 12 HB VAL 12 -6.842 -10.045 -8.156
83 1HG1 VAL 12 1HG1 VAL 12 -7.740 -12.379 -7.985
84 2HG1 VAL 12 2HG1 VAL 12 -9.351 -11.715 -8.259
85 3HG1 VAL 12 3HG1 VAL 12 -8.435 -11.244 -6.828
86 1HG2 VAL 12 1HG2 VAL 12 -6.794 -10.014 -10.520
87 2HG2 VAL 12 2HG2 VAL 12 -8.343 -10.865 -10.614
88 3HG2 VAL 12 3HG2 VAL 12 -6.906 -11.712 -10.039
89 H SER 13 H SER 13 -10.654 -10.326 -7.659
90 HA SER 13 HA SER 13 -10.772 -8.493 -5.385
91 1HB SER 13 2HB SER 13 -12.976 -9.410 -4.953
92 2HB SER 13 1HB SER 13 -12.827 -8.863 -6.621
93 HG SER 13 HG SER 13 -13.303 -10.811 -7.218
94 H GLY 14 H GLY 14 -10.898 -9.126 -3.279
95 1HA GLY 14 2HA GLY 14 -10.804 -11.686 -2.210
96 2HA GLY 14 1HA GLY 14 -9.135 -11.179 -2.475
97 H ILE 15 H ILE 15 -9.542 -11.543 0.078
98 HA ILE 15 HA ILE 15 -10.331 -8.929 1.144
99 HB ILE 15 HB ILE 15 -10.183 -11.582 2.576
100 1HG1 ILE 15 2HG1 ILE 15 -12.428 -11.711 2.371
101 2HG1 ILE 15 1HG1 ILE 15 -12.637 -10.024 2.817
102 1HG2 ILE 15 1HG2 ILE 15 -10.966 -10.355 4.573
103 2HG2 ILE 15 2HG2 ILE 15 -10.773 -8.839 3.693
104 3HG2 ILE 15 3HG2 ILE 15 -9.357 -9.837 4.062
105 1HD1 ILE 15 1HD1 ILE 15 -12.110 -11.129 0.075
106 2HD1 ILE 15 2HD1 ILE 15 -12.104 -9.410 0.471
107 3HD1 ILE 15 3HD1 ILE 15 -13.579 -10.353 0.668
108 H ILE 16 H ILE 16 -9.018 -7.763 2.413
109 HA ILE 16 HA ILE 16 -6.212 -8.630 2.446
110 HB ILE 16 HB ILE 16 -7.488 -6.126 1.783
111 1HG1 ILE 16 2HG1 ILE 16 -4.575 -6.925 1.794
112 2HG1 ILE 16 1HG1 ILE 16 -5.709 -7.235 0.487
113 1HG2 ILE 16 1HG2 ILE 16 -7.140 -5.470 4.074
114 2HG2 ILE 16 2HG2 ILE 16 -6.062 -4.580 3.002
115 3HG2 ILE 16 3HG2 ILE 16 -5.438 -5.918 3.969
116 1HD1 ILE 16 1HD1 ILE 16 -4.065 -5.146 0.516
117 2HD1 ILE 16 2HD1 ILE 16 -5.436 -4.433 1.368
118 3HD1 ILE 16 3HD1 ILE 16 -5.652 -5.103 -0.250
119 H ALA 17 H ALA 17 -5.516 -9.315 4.347
120 HA ALA 17 HA ALA 17 -6.779 -8.220 6.769
121 1HB ALA 17 1HB ALA 17 -7.375 -10.579 6.264
122 2HB ALA 17 2HB ALA 17 -6.585 -10.351 7.829
123 3HB ALA 17 3HB ALA 17 -5.671 -11.002 6.468
124 H ILE 18 H ILE 18 -5.524 -7.349 8.252
125 HA ILE 18 HA ILE 18 -2.625 -7.429 7.826
126 HB ILE 18 HB ILE 18 -4.415 -5.455 9.234
127 1HG1 ILE 18 2HG1 ILE 18 -2.560 -5.179 6.862
128 2HG1 ILE 18 1HG1 ILE 18 -4.308 -5.352 6.768
129 1HG2 ILE 18 1HG2 ILE 18 -1.602 -5.983 9.678
130 2HG2 ILE 18 2HG2 ILE 18 -2.717 -4.945 10.568
131 3HG2 ILE 18 3HG2 ILE 18 -1.891 -4.330 9.137
132 1HD1 ILE 18 1HD1 ILE 18 -3.084 -3.110 8.314
133 2HD1 ILE 18 2HD1 ILE 18 -4.687 -3.224 7.585
134 3HD1 ILE 18 3HD1 ILE 18 -3.265 -3.015 6.562
135 H ASN 19 H ASN 19 -1.218 -8.043 9.407
136 HA ASN 19 HA ASN 19 -2.351 -8.889 11.985
137 1HB ASN 19 2HB ASN 19 -1.917 -10.796 10.310
138 2HB ASN 19 1HB ASN 19 -0.208 -10.478 10.588
139 1HD2 ASN 19 1HD2 ASN 19 -0.193 -12.689 11.359
140 2HD2 ASN 19 2HD2 ASN 19 -0.648 -13.017 12.994
141 H GLU 20 H GLU 20 -1.442 -7.636 13.473
142 HA GLU 20 HA GLU 20 1.261 -6.626 13.083
143 1HB GLU 20 2HB GLU 20 -0.767 -6.050 15.253
144 2HB GLU 20 1HB GLU 20 0.789 -5.249 15.082
145 1HG GLU 20 2HG GLU 20 0.084 -4.396 12.885
146 2HG GLU 20 1HG GLU 20 -1.492 -5.150 13.124
147 H ASP 21 H ASP 21 0.174 -9.449 14.130
148 HA ASP 21 HA ASP 21 1.578 -9.697 16.630
149 1HB ASP 21 2HB ASP 21 -0.463 -11.031 16.039
150 2HB ASP 21 1HB ASP 21 0.505 -11.887 14.844
151 H VAL 22 H VAL 22 2.372 -9.865 13.319
152 HA VAL 22 HA VAL 22 4.780 -11.439 13.825
153 HB VAL 22 HB VAL 22 4.918 -10.945 11.188
154 1HG1 VAL 22 1HG1 VAL 22 4.586 -13.119 12.730
155 2HG1 VAL 22 2HG1 VAL 22 4.584 -13.162 10.968
156 3HG1 VAL 22 3HG1 VAL 22 3.057 -13.127 11.851
157 1HG2 VAL 22 1HG2 VAL 22 1.959 -11.198 11.636
158 2HG2 VAL 22 2HG2 VAL 22 2.814 -10.930 10.117
159 3HG2 VAL 22 3HG2 VAL 22 2.754 -9.653 11.332
160 H SER 23 H SER 23 6.831 -10.634 13.489
161 HA SER 23 HA SER 23 7.001 -7.723 13.101
162 1HB SER 23 2HB SER 23 7.754 -8.012 15.274
163 2HB SER 23 1HB SER 23 8.481 -9.581 14.924
164 HG SER 23 HG SER 23 9.606 -7.139 14.866
165 HA PRO 24 HA PRO 24 7.590 -6.301 12.038
166 1HB PRO 24 2HB PRO 24 7.647 -5.548 9.286
167 2HB PRO 24 1HB PRO 24 8.644 -4.922 10.599
168 1HG PRO 24 2HG PRO 24 9.561 -6.437 8.460
169 2HG PRO 24 1HG PRO 24 10.423 -6.180 9.985
170 1HD PRO 24 2HD PRO 24 8.828 -8.528 9.076
171 2HD PRO 24 1HD PRO 24 10.280 -8.472 10.098
172 H ALA 25 H ALA 25 5.449 -5.774 11.895
173 HA ALA 25 HA ALA 25 3.532 -7.595 11.203
174 1HB ALA 25 1HB ALA 25 3.340 -4.589 11.222
175 2HB ALA 25 2HB ALA 25 2.943 -5.705 12.529
176 3HB ALA 25 3HB ALA 25 1.947 -5.659 11.074
177 H GLU 26 H GLU 26 2.291 -8.082 9.416
178 HA GLU 26 HA GLU 26 2.944 -6.699 6.909
179 1HB GLU 26 2HB GLU 26 2.765 -9.703 7.154
180 2HB GLU 26 1HB GLU 26 3.194 -8.780 5.721
181 1HG GLU 26 2HG GLU 26 5.200 -7.948 6.955
182 2HG GLU 26 1HG GLU 26 4.796 -9.078 8.248
183 H LEU 27 H LEU 27 1.436 -7.328 5.128
184 HA LEU 27 HA LEU 27 -1.285 -7.791 6.160
185 1HB LEU 27 2HB LEU 27 -1.133 -5.490 5.547
186 2HB LEU 27 1HB LEU 27 -0.304 -5.873 4.051
187 HG LEU 27 HG LEU 27 -3.093 -6.868 4.477
188 1HD1 LEU 27 1HD1 LEU 27 -3.649 -4.699 4.895
189 2HD1 LEU 27 2HD1 LEU 27 -3.625 -4.649 3.133
190 3HD1 LEU 27 3HD1 LEU 27 -2.240 -4.057 4.050
191 1HD2 LEU 27 1HD2 LEU 27 -2.803 -6.035 1.889
192 2HD2 LEU 27 2HD2 LEU 27 -2.550 -7.683 2.463
193 3HD2 LEU 27 3HD2 LEU 27 -1.176 -6.592 2.286
194 H THR 28 H THR 28 -2.404 -9.399 5.197
195 HA THR 28 HA THR 28 -1.241 -10.561 2.753
196 HB THR 28 HB THR 28 -2.742 -11.994 4.947
197 HG1 THR 28 HG1 THR 28 -0.878 -12.288 5.835
198 1HG2 THR 28 1HG2 THR 28 -3.051 -13.163 2.881
199 2HG2 THR 28 2HG2 THR 28 -1.881 -14.040 3.868
200 3HG2 THR 28 3HG2 THR 28 -1.329 -13.053 2.514
201 H TRP 29 H TRP 29 -2.458 -10.608 1.012
202 HA TRP 29 HA TRP 29 -5.313 -10.037 1.221
203 1HB TRP 29 2HB TRP 29 -4.061 -8.536 -0.226
204 2HB TRP 29 1HB TRP 29 -3.382 -9.900 -1.108
205 HD1 TRP 29 HD1 TRP 29 -6.846 -8.360 -0.416
206 HE1 TRP 29 HE1 TRP 29 -8.312 -8.687 -2.507
207 HE3 TRP 29 HE3 TRP 29 -3.582 -11.075 -3.237
208 HZ2 TRP 29 HZ2 TRP 29 -8.099 -9.958 -5.030
209 HZ3 TRP 29 HZ3 TRP 29 -4.284 -11.816 -5.474
210 HH2 TRP 29 HH2 TRP 29 -6.494 -11.271 -6.350
211 H ARG 30 H ARG 30 -6.778 -11.579 0.772
212 HA ARG 30 HA ARG 30 -5.839 -14.004 -0.616
213 1HB ARG 30 2HB ARG 30 -6.161 -14.445 1.778
214 2HB ARG 30 1HB ARG 30 -7.815 -13.861 1.667
215 1HG ARG 30 2HG ARG 30 -8.547 -15.728 0.550
216 2HG ARG 30 1HG ARG 30 -6.947 -16.101 -0.095
217 1HD ARG 30 2HD ARG 30 -6.196 -16.873 2.043
218 2HD ARG 30 1HD ARG 30 -7.676 -16.313 2.821
219 HE ARG 30 HE ARG 30 -8.678 -18.260 2.188
220 1HH1 ARG 30 1HH1 ARG 30 -5.874 -17.765 0.170
221 2HH1 ARG 30 2HH1 ARG 30 -6.013 -19.301 -0.616
222 1HH2 ARG 30 1HH2 ARG 30 -8.864 -20.281 1.155
223 2HH2 ARG 30 2HH2 ARG 30 -7.710 -20.730 -0.057
224 H SER 31 H SER 31 -6.812 -14.247 -2.503
225 HA SER 31 HA SER 31 -8.825 -12.752 -3.577
226 1HB SER 31 2HB SER 31 -7.585 -14.198 -5.010
227 2HB SER 31 1HB SER 31 -8.090 -15.631 -4.115
228 HG SER 31 HG SER 31 -9.708 -15.730 -5.432
229 H THR 32 H THR 32 -11.066 -13.485 -4.229
230 HA THR 32 HA THR 32 -12.560 -14.078 -1.870
231 HB THR 32 HB THR 32 -14.169 -14.255 -4.238
232 HG1 THR 32 HG1 THR 32 -13.187 -12.939 -5.516
233 1HG2 THR 32 1HG2 THR 32 -13.894 -11.970 -2.304
234 2HG2 THR 32 2HG2 THR 32 -14.923 -13.382 -2.064
235 3HG2 THR 32 3HG2 THR 32 -15.240 -12.275 -3.401
236 H ASP 33 H ASP 33 -11.824 -15.692 -4.872
237 HA ASP 33 HA ASP 33 -13.236 -18.073 -4.101
238 1HB ASP 33 2HB ASP 33 -11.603 -17.407 -6.549
239 2HB ASP 33 1HB ASP 33 -12.406 -18.956 -6.298
240 H GLY 34 H GLY 34 -10.105 -16.792 -3.753
241 1HA GLY 34 2HA GLY 34 -8.373 -17.711 -2.488
242 2HA GLY 34 1HA GLY 34 -9.195 -19.264 -2.532
243 H ASP 35 H ASP 35 -8.452 -17.306 -5.353
244 HA ASP 35 HA ASP 35 -6.826 -19.510 -6.372
245 1HB ASP 35 2HB ASP 35 -8.091 -17.146 -7.763
246 2HB ASP 35 1HB ASP 35 -7.076 -18.335 -8.571
247 H LYS 36 H LYS 36 -6.530 -16.284 -5.214
248 HA LYS 36 HA LYS 36 -3.665 -16.376 -5.818
249 1HB LYS 36 2HB LYS 36 -5.532 -14.569 -7.012
250 2HB LYS 36 1HB LYS 36 -4.434 -13.662 -5.980
251 1HG LYS 36 2HG LYS 36 -2.838 -13.787 -7.500
252 2HG LYS 36 1HG LYS 36 -2.924 -15.549 -7.489
253 1HD LYS 36 2HD LYS 36 -3.746 -15.481 -9.550
254 2HD LYS 36 1HD LYS 36 -5.173 -14.656 -8.923
255 1HE LYS 36 2HE LYS 36 -2.707 -13.068 -9.460
256 2HE LYS 36 1HE LYS 36 -3.703 -13.581 -10.824
257 1HZ LYS 36 1HZ LYS 36 -5.472 -12.572 -8.981
258 2HZ LYS 36 2HZ LYS 36 -4.955 -11.816 -10.403
259 3HZ LYS 36 3HZ LYS 36 -4.164 -11.497 -8.942
260 H VAL 37 H VAL 37 -2.337 -15.338 -4.356
261 HA VAL 37 HA VAL 37 -3.571 -14.051 -2.033
262 HB VAL 37 HB VAL 37 -1.520 -16.258 -1.779
263 1HG1 VAL 37 1HG1 VAL 37 -1.426 -14.383 -0.106
264 2HG1 VAL 37 2HG1 VAL 37 -1.707 -15.986 0.576
265 3HG1 VAL 37 3HG1 VAL 37 -3.049 -14.853 0.404
266 1HG2 VAL 37 1HG2 VAL 37 -4.452 -16.277 -1.767
267 2HG2 VAL 37 2HG2 VAL 37 -3.710 -17.085 -0.388
268 3HG2 VAL 37 3HG2 VAL 37 -3.309 -17.593 -2.028
269 H HIS 38 H HIS 38 -2.345 -12.438 -1.128
270 HA HIS 38 HA HIS 38 0.388 -12.081 -2.134
271 1HB HIS 38 2HB HIS 38 -1.372 -10.675 -3.386
272 2HB HIS 38 1HB HIS 38 -1.474 -9.738 -1.900
273 HD1 HIS 38 HD1 HIS 38 1.271 -10.891 -4.276
274 HD2 HIS 38 HD2 HIS 38 0.248 -7.664 -1.866
275 HE1 HIS 38 HE1 HIS 38 3.065 -9.171 -4.659
276 HE2 HIS 38 HE2 HIS 38 2.469 -7.260 -3.128
277 H THR 39 H THR 39 1.800 -11.037 -0.777
278 HA THR 39 HA THR 39 0.790 -10.327 1.895
279 HB THR 39 HB THR 39 3.329 -11.869 1.324
280 HG1 THR 39 HG1 THR 39 0.821 -12.679 2.355
281 1HG2 THR 39 1HG2 THR 39 3.309 -12.257 3.786
282 2HG2 THR 39 2HG2 THR 39 2.062 -11.016 3.911
283 3HG2 THR 39 3HG2 THR 39 3.665 -10.599 3.301
284 H VAL 40 H VAL 40 1.587 -8.478 2.754
285 HA VAL 40 HA VAL 40 3.885 -7.218 1.412
286 HB VAL 40 HB VAL 40 1.351 -5.803 2.252
287 1HG1 VAL 40 1HG1 VAL 40 2.732 -4.070 2.618
288 2HG1 VAL 40 2HG1 VAL 40 2.842 -3.983 0.857
289 3HG1 VAL 40 3HG1 VAL 40 4.081 -4.844 1.777
290 1HG2 VAL 40 1HG2 VAL 40 2.576 -6.197 -0.478
291 2HG2 VAL 40 2HG2 VAL 40 1.126 -5.254 -0.119
292 3HG2 VAL 40 3HG2 VAL 40 1.131 -7.002 0.135
293 H VAL 41 H VAL 41 5.289 -6.134 2.683
294 HA VAL 41 HA VAL 41 5.052 -6.541 5.552
295 HB VAL 41 HB VAL 41 7.207 -7.047 4.697
296 1HG1 VAL 41 1HG1 VAL 41 6.977 -4.452 3.221
297 2HG1 VAL 41 2HG1 VAL 41 7.249 -6.071 2.584
298 3HG1 VAL 41 3HG1 VAL 41 8.532 -5.248 3.468
299 1HG2 VAL 41 1HG2 VAL 41 7.206 -4.379 6.083
300 2HG2 VAL 41 2HG2 VAL 41 8.686 -5.264 5.726
301 3HG2 VAL 41 3HG2 VAL 41 7.467 -5.976 6.782
302 H LEU 42 H LEU 42 4.091 -5.055 6.773
303 HA LEU 42 HA LEU 42 3.435 -2.473 5.758
304 1HB LEU 42 2HB LEU 42 3.152 -3.513 8.573
305 2HB LEU 42 1HB LEU 42 2.335 -2.120 7.891
306 HG LEU 42 HG LEU 42 1.929 -4.985 7.027
307 1HD1 LEU 42 1HD1 LEU 42 0.995 -3.845 9.301
308 2HD1 LEU 42 2HD1 LEU 42 0.170 -5.126 8.413
309 3HD1 LEU 42 3HD1 LEU 42 -0.294 -3.443 8.165
310 1HD2 LEU 42 1HD2 LEU 42 1.390 -3.878 5.113
311 2HD2 LEU 42 2HD2 LEU 42 1.014 -2.374 5.954
312 3HD2 LEU 42 3HD2 LEU 42 -0.140 -3.707 5.971
313 H SER 43 H SER 43 5.912 -3.715 7.885
314 HA SER 43 HA SER 43 6.677 -1.411 9.215
315 1HB SER 43 2HB SER 43 7.658 -3.418 9.942
316 2HB SER 43 1HB SER 43 8.235 -3.824 8.324
317 HG SER 43 HG SER 43 10.022 -3.002 9.118
318 H THR 44 H THR 44 7.081 -2.177 5.884
319 HA THR 44 HA THR 44 9.136 -0.133 5.542
320 HB THR 44 HB THR 44 9.722 -1.153 3.610
321 HG1 THR 44 HG1 THR 44 8.187 -1.974 2.125
322 1HG2 THR 44 1HG2 THR 44 9.537 -3.046 5.175
323 2HG2 THR 44 2HG2 THR 44 9.305 -3.504 3.488
324 3HG2 THR 44 3HG2 THR 44 7.915 -3.350 4.560
325 H ILE 45 H ILE 45 5.748 -0.540 5.214
326 HA ILE 45 HA ILE 45 5.070 1.231 3.215
327 HB ILE 45 HB ILE 45 3.629 0.794 5.833
328 1HG1 ILE 45 2HG1 ILE 45 4.029 -1.237 4.457
329 2HG1 ILE 45 1HG1 ILE 45 2.319 -0.841 4.612
330 1HG2 ILE 45 1HG2 ILE 45 1.645 1.434 4.227
331 2HG2 ILE 45 2HG2 ILE 45 2.914 2.318 3.378
332 3HG2 ILE 45 3HG2 ILE 45 2.570 2.677 5.069
333 1HD1 ILE 45 1HD1 ILE 45 4.020 -0.963 2.244
334 2HD1 ILE 45 2HD1 ILE 45 2.991 0.468 2.321
335 3HD1 ILE 45 3HD1 ILE 45 2.272 -1.141 2.403
336 H ASP 46 H ASP 46 6.388 3.012 3.097
337 HA ASP 46 HA ASP 46 6.983 4.726 5.258
338 1HB ASP 46 2HB ASP 46 8.282 4.573 3.121
339 2HB ASP 46 1HB ASP 46 6.972 5.432 2.320
340 H LYS 47 H LYS 47 4.304 4.567 3.020
341 HA LYS 47 HA LYS 47 2.887 6.546 4.596
342 1HB LYS 47 2HB LYS 47 3.016 7.007 1.627
343 2HB LYS 47 1HB LYS 47 2.440 8.094 2.880
344 1HG LYS 47 2HG LYS 47 4.710 8.416 3.679
345 2HG LYS 47 1HG LYS 47 5.310 7.279 2.469
346 1HD LYS 47 2HD LYS 47 4.034 8.917 0.827
347 2HD LYS 47 1HD LYS 47 4.312 10.062 2.142
348 1HE LYS 47 2HE LYS 47 6.085 10.028 0.370
349 2HE LYS 47 1HE LYS 47 6.668 9.763 2.013
350 1HZ LYS 47 1HZ LYS 47 7.337 8.224 -0.039
351 2HZ LYS 47 2HZ LYS 47 5.974 7.380 0.501
352 3HZ LYS 47 3HZ LYS 47 7.268 7.656 1.554
353 H LEU 48 H LEU 48 0.609 6.671 4.064
354 HA LEU 48 HA LEU 48 -0.393 4.407 2.505
355 1HB LEU 48 2HB LEU 48 -1.173 3.393 4.316
356 2HB LEU 48 1HB LEU 48 -0.494 4.657 5.321
357 HG LEU 48 HG LEU 48 -2.694 5.923 4.693
358 1HD1 LEU 48 1HD1 LEU 48 -3.298 3.996 3.114
359 2HD1 LEU 48 2HD1 LEU 48 -4.558 4.628 4.175
360 3HD1 LEU 48 3HD1 LEU 48 -3.737 3.121 4.582
361 1HD2 LEU 48 1HD2 LEU 48 -3.466 5.419 6.785
362 2HD2 LEU 48 2HD2 LEU 48 -1.812 4.824 6.919
363 3HD2 LEU 48 3HD2 LEU 48 -3.132 3.696 6.610
364 H GLN 49 H GLN 49 -1.932 4.947 1.092
365 HA GLN 49 HA GLN 49 -3.250 7.560 1.450
366 1HB GLN 49 2HB GLN 49 -2.380 6.214 -1.109
367 2HB GLN 49 1HB GLN 49 -3.352 7.676 -1.039
368 1HG GLN 49 2HG GLN 49 -1.544 8.852 0.069
369 2HG GLN 49 1HG GLN 49 -0.571 7.381 0.071
370 1HE2 GLN 49 1HE2 GLN 49 0.367 9.706 -1.041
371 2HE2 GLN 49 2HE2 GLN 49 0.473 9.525 -2.756
372 H ALA 50 H ALA 50 -5.414 7.738 0.960
373 HA ALA 50 HA ALA 50 -6.857 5.395 0.012
374 1HB ALA 50 1HB ALA 50 -7.875 6.644 2.525
375 2HB ALA 50 2HB ALA 50 -6.599 5.431 2.613
376 3HB ALA 50 3HB ALA 50 -8.149 5.025 1.879
377 H THR 51 H THR 51 -8.763 5.880 -1.003
378 HA THR 51 HA THR 51 -9.147 8.611 -1.773
379 HB THR 51 HB THR 51 -10.970 7.748 -3.165
380 HG1 THR 51 HG1 THR 51 -11.973 6.157 -2.185
381 1HG2 THR 51 1HG2 THR 51 -8.869 7.467 -4.202
382 2HG2 THR 51 2HG2 THR 51 -9.741 5.949 -4.415
383 3HG2 THR 51 3HG2 THR 51 -8.477 6.076 -3.191
384 HA PRO 52 HA PRO 52 -11.786 9.537 1.751
385 1HB PRO 52 2HB PRO 52 -12.541 12.023 0.854
386 2HB PRO 52 1HB PRO 52 -11.041 11.693 1.727
387 1HG PRO 52 2HG PRO 52 -11.497 11.991 -1.214
388 2HG PRO 52 1HG PRO 52 -10.166 12.610 -0.217
389 1HD PRO 52 2HD PRO 52 -9.878 10.427 -1.751
390 2HD PRO 52 1HD PRO 52 -9.084 10.561 -0.168
391 H ALA 53 H ALA 53 -14.035 9.975 2.131
392 HA ALA 53 HA ALA 53 -15.787 8.558 0.496
393 1HB ALA 53 1HB ALA 53 -17.342 8.974 2.080
394 2HB ALA 53 2HB ALA 53 -16.975 10.699 2.144
395 3HB ALA 53 3HB ALA 53 -15.943 9.546 2.990
396 H SER 54 H SER 54 -15.189 12.050 0.685
397 HA SER 54 HA SER 54 -17.195 12.843 -1.113
398 1HB SER 54 2HB SER 54 -16.031 14.959 -1.245
399 2HB SER 54 1HB SER 54 -15.940 14.377 0.417
400 HG SER 54 HG SER 54 -13.928 14.417 -1.561
401 H SER 55 H SER 55 -14.057 11.488 -1.580
402 HA SER 55 HA SER 55 -13.849 12.180 -4.354
403 1HB SER 55 2HB SER 55 -12.226 10.575 -2.427
404 2HB SER 55 1HB SER 55 -11.973 10.337 -4.157
405 HG SER 55 HG SER 55 -11.366 12.444 -4.360
406 H GLU 56 H GLU 56 -14.867 11.197 -5.947
407 HA GLU 56 HA GLU 56 -16.543 8.996 -5.655
408 1HB GLU 56 2HB GLU 56 -16.623 10.617 -7.539
409 2HB GLU 56 1HB GLU 56 -15.158 9.893 -8.188
410 1HG GLU 56 2HG GLU 56 -16.987 8.999 -9.396
411 2HG GLU 56 1HG GLU 56 -16.388 7.727 -8.333
412 H LYS 57 H LYS 57 -13.142 9.151 -5.916
413 HA LYS 57 HA LYS 57 -12.683 6.568 -7.036
414 1HB LYS 57 2HB LYS 57 -10.937 8.446 -5.445
415 2HB LYS 57 1HB LYS 57 -10.363 6.903 -6.064
416 1HG LYS 57 2HG LYS 57 -9.667 8.395 -7.680
417 2HG LYS 57 1HG LYS 57 -11.178 7.780 -8.350
418 1HD LYS 57 2HD LYS 57 -12.362 9.743 -7.656
419 2HD LYS 57 1HD LYS 57 -10.965 10.324 -6.749
420 1HE LYS 57 2HE LYS 57 -10.576 11.537 -8.605
421 2HE LYS 57 1HE LYS 57 -9.873 10.035 -9.202
422 1HZ LYS 57 1HZ LYS 57 -11.740 11.368 -10.512
423 2HZ LYS 57 2HZ LYS 57 -12.740 10.372 -9.580
424 3HZ LYS 57 3HZ LYS 57 -11.587 9.684 -10.607
425 H MET 58 H MET 58 -12.290 4.631 -6.058
426 HA MET 58 HA MET 58 -12.570 4.493 -3.130
427 1HB MET 58 2HB MET 58 -13.914 2.693 -5.154
428 2HB MET 58 1HB MET 58 -13.930 2.443 -3.413
429 1HG MET 58 2HG MET 58 -15.008 4.720 -3.227
430 2HG MET 58 1HG MET 58 -15.209 4.662 -4.977
431 1HE MET 58 1HE MET 58 -15.280 2.488 -2.025
432 2HE MET 58 2HE MET 58 -16.393 1.198 -2.489
433 3HE MET 58 3HE MET 58 -16.985 2.587 -1.579
434 H MET 59 H MET 59 -10.218 4.341 -3.206
435 HA MET 59 HA MET 59 -9.358 1.588 -3.414
436 1HB MET 59 2HB MET 59 -8.085 3.736 -5.114
437 2HB MET 59 1HB MET 59 -7.430 2.123 -4.881
438 1HG MET 59 2HG MET 59 -9.392 1.156 -5.940
439 2HG MET 59 1HG MET 59 -10.086 2.763 -6.144
440 1HE MET 59 1HE MET 59 -6.754 4.116 -7.215
441 2HE MET 59 2HE MET 59 -8.414 4.618 -6.893
442 3HE MET 59 3HE MET 59 -7.824 4.528 -8.554
443 H LEU 60 H LEU 60 -7.012 1.375 -2.775
444 HA LEU 60 HA LEU 60 -6.154 3.489 -0.923
445 1HB LEU 60 2HB LEU 60 -7.368 1.594 0.250
446 2HB LEU 60 1HB LEU 60 -6.049 0.552 -0.250
447 HG LEU 60 HG LEU 60 -4.618 2.460 0.961
448 1HD1 LEU 60 1HD1 LEU 60 -7.099 3.384 1.518
449 2HD1 LEU 60 2HD1 LEU 60 -5.678 3.679 2.520
450 3HD1 LEU 60 3HD1 LEU 60 -6.792 2.377 2.932
451 1HD2 LEU 60 1HD2 LEU 60 -6.031 0.145 2.273
452 2HD2 LEU 60 2HD2 LEU 60 -4.672 1.017 2.981
453 3HD2 LEU 60 3HD2 LEU 60 -4.457 0.120 1.479
454 H ARG 61 H ARG 61 -4.095 4.048 -1.305
455 HA ARG 61 HA ARG 61 -2.392 2.112 -2.735
456 1HB ARG 61 2HB ARG 61 -3.007 4.281 -3.893
457 2HB ARG 61 1HB ARG 61 -2.023 5.104 -2.692
458 1HG ARG 61 2HG ARG 61 -0.073 3.801 -3.418
459 2HG ARG 61 1HG ARG 61 -1.069 3.028 -4.653
460 1HD ARG 61 2HD ARG 61 -1.552 5.310 -5.564
461 2HD ARG 61 1HD ARG 61 -0.358 5.947 -4.436
462 HE ARG 61 HE ARG 61 1.010 4.027 -5.755
463 1HH1 ARG 61 1HH1 ARG 61 -0.916 6.735 -6.820
464 2HH1 ARG 61 2HH1 ARG 61 -0.011 6.969 -8.276
465 1HH2 ARG 61 1HH2 ARG 61 2.204 4.332 -7.670
466 2HH2 ARG 61 2HH2 ARG 61 1.762 5.605 -8.760
467 H LEU 62 H LEU 62 -0.642 1.362 -1.764
468 HA LEU 62 HA LEU 62 0.281 2.668 0.708
469 1HB LEU 62 2HB LEU 62 0.547 -0.161 -0.305
470 2HB LEU 62 1HB LEU 62 1.440 0.438 1.075
471 HG LEU 62 HG LEU 62 -0.342 0.301 2.463
472 1HD1 LEU 62 1HD1 LEU 62 -2.637 0.805 1.896
473 2HD1 LEU 62 2HD1 LEU 62 -2.227 0.884 0.182
474 3HD1 LEU 62 3HD1 LEU 62 -1.582 2.086 1.300
475 1HD2 LEU 62 1HD2 LEU 62 -1.673 -1.398 0.398
476 2HD2 LEU 62 2HD2 LEU 62 -1.504 -1.668 2.133
477 3HD2 LEU 62 3HD2 LEU 62 -0.113 -1.875 1.067
478 H ILE 63 H ILE 63 2.450 3.185 0.987
479 HA ILE 63 HA ILE 63 4.062 3.126 -1.478
480 HB ILE 63 HB ILE 63 4.856 4.876 0.789
481 1HG1 ILE 63 2HG1 ILE 63 2.499 5.368 0.717
482 2HG1 ILE 63 1HG1 ILE 63 3.369 6.684 -0.062
483 1HG2 ILE 63 1HG2 ILE 63 5.189 6.377 -1.333
484 2HG2 ILE 63 2HG2 ILE 63 5.090 4.827 -2.175
485 3HG2 ILE 63 3HG2 ILE 63 6.328 5.087 -0.944
486 1HD1 ILE 63 1HD1 ILE 63 2.548 6.191 -2.120
487 2HD1 ILE 63 2HD1 ILE 63 1.198 5.706 -1.097
488 3HD1 ILE 63 3HD1 ILE 63 2.297 4.487 -1.741
489 H GLY 64 H GLY 64 5.751 1.802 -1.520
490 1HA GLY 64 2HA GLY 64 6.681 0.591 0.967
491 2HA GLY 64 1HA GLY 64 7.102 0.079 -0.661
492 H LYS 65 H LYS 65 8.480 1.163 1.999
493 HA LYS 65 HA LYS 65 9.964 3.411 1.456
494 1HB LYS 65 2HB LYS 65 10.332 1.025 3.154
495 2HB LYS 65 1HB LYS 65 11.800 1.922 2.787
496 1HG LYS 65 2HG LYS 65 10.820 3.947 3.689
497 2HG LYS 65 1HG LYS 65 9.307 3.097 3.998
498 1HD LYS 65 2HD LYS 65 10.523 1.573 5.523
499 2HD LYS 65 1HD LYS 65 11.986 2.525 5.263
500 1HE LYS 65 2HE LYS 65 10.215 4.461 5.954
501 2HE LYS 65 1HE LYS 65 9.616 3.102 6.903
502 1HZ LYS 65 1HZ LYS 65 11.285 4.482 8.066
503 2HZ LYS 65 2HZ LYS 65 12.438 4.020 6.918
504 3HZ LYS 65 3HZ LYS 65 11.741 2.858 7.930
505 H VAL 66 H VAL 66 11.946 3.847 0.495
506 HA VAL 66 HA VAL 66 12.846 1.819 -1.439
507 HB VAL 66 HB VAL 66 11.886 4.132 -2.184
508 1HG1 VAL 66 1HG1 VAL 66 13.774 5.180 -0.617
509 2HG1 VAL 66 2HG1 VAL 66 13.148 5.998 -2.048
510 3HG1 VAL 66 3HG1 VAL 66 14.667 5.109 -2.136
511 1HG2 VAL 66 1HG2 VAL 66 14.298 3.859 -3.723
512 2HG2 VAL 66 2HG2 VAL 66 12.633 3.478 -4.165
513 3HG2 VAL 66 3HG2 VAL 66 13.621 2.277 -3.333
514 H ASP 67 H ASP 67 15.225 3.111 -2.168
515 HA ASP 67 HA ASP 67 16.909 3.729 0.003
516 1HB ASP 67 2HB ASP 67 16.629 0.867 -0.721
517 2HB ASP 67 1HB ASP 67 18.275 1.453 -0.505
518 H GLU 68 H GLU 68 17.046 5.291 -1.837
519 HA GLU 68 HA GLU 68 18.156 4.705 -4.308
520 1HB GLU 68 2HB GLU 68 18.510 7.221 -2.674
521 2HB GLU 68 1HB GLU 68 18.819 7.076 -4.399
522 1HG GLU 68 2HG GLU 68 16.461 6.571 -4.779
523 2HG GLU 68 1HG GLU 68 16.153 6.713 -3.050
524 H SER 69 H SER 69 19.653 4.774 -1.221
525 HA SER 69 HA SER 69 22.302 5.326 -1.913
526 1HB SER 69 2HB SER 69 21.462 5.192 0.419
527 2HB SER 69 1HB SER 69 21.333 3.442 0.248
528 HG SER 69 HG SER 69 23.650 5.050 0.284
529 H LYS 70 H LYS 70 20.353 2.626 -2.675
530 HA LYS 70 HA LYS 70 22.318 0.611 -2.834
531 1HB LYS 70 2HB LYS 70 19.728 0.941 -4.354
532 2HB LYS 70 1HB LYS 70 20.705 -0.519 -4.364
533 1HG LYS 70 2HG LYS 70 19.480 0.700 -1.901
534 2HG LYS 70 1HG LYS 70 18.783 -0.635 -2.823
535 1HD LYS 70 2HD LYS 70 20.874 -1.925 -2.411
536 2HD LYS 70 1HD LYS 70 21.424 -0.613 -1.363
537 1HE LYS 70 2HE LYS 70 19.146 -0.979 -0.162
538 2HE LYS 70 1HE LYS 70 19.179 -2.551 -0.962
539 1HZ LYS 70 1HZ LYS 70 20.279 -2.093 1.410
540 2HZ LYS 70 2HZ LYS 70 21.615 -1.778 0.421
541 3HZ LYS 70 3HZ LYS 70 20.843 -3.281 0.344
542 H LYS 71 H LYS 71 21.080 2.899 -5.251
543 HA LYS 71 HA LYS 71 21.923 3.621 -7.234
544 1HB LYS 71 2HB LYS 71 24.371 2.776 -5.750
545 2HB LYS 71 1HB LYS 71 24.521 3.142 -7.463
546 1HG LYS 71 2HG LYS 71 24.917 5.214 -6.682
547 2HG LYS 71 1HG LYS 71 23.154 5.304 -6.675
548 1HD LYS 71 2HD LYS 71 23.083 4.755 -4.334
549 2HD LYS 71 1HD LYS 71 24.823 4.459 -4.309
550 1HE LYS 71 2HE LYS 71 25.343 6.683 -4.350
551 2HE LYS 71 1HE LYS 71 23.878 7.120 -5.228
552 1HZ LYS 71 1HZ LYS 71 22.601 6.807 -3.216
553 2HZ LYS 71 2HZ LYS 71 23.850 7.914 -2.934
554 3HZ LYS 71 3HZ LYS 71 23.984 6.325 -2.368
555 H ARG 72 H ARG 72 20.807 2.267 -8.595
556 HA ARG 72 HA ARG 72 21.904 -0.361 -9.205
557 1HB ARG 72 2HB ARG 72 19.363 1.066 -9.926
558 2HB ARG 72 1HB ARG 72 19.856 -0.380 -10.795
559 1HG ARG 72 2HG ARG 72 19.471 -0.230 -7.814
560 2HG ARG 72 1HG ARG 72 18.263 -0.817 -8.957
561 1HD ARG 72 2HD ARG 72 19.869 -2.543 -9.705
562 2HD ARG 72 1HD ARG 72 21.001 -1.986 -8.473
563 HE ARG 72 HE ARG 72 18.763 -2.538 -7.057
564 1HH1 ARG 72 1HH1 ARG 72 20.646 -4.364 -9.356
565 2HH1 ARG 72 2HH1 ARG 72 20.268 -5.894 -8.641
566 1HH2 ARG 72 1HH2 ARG 72 18.264 -4.549 -6.113
567 2HH2 ARG 72 2HH2 ARG 72 18.915 -6.000 -6.800
568 H LYS 73 H LYS 73 22.037 -1.003 -11.544
569 HA LYS 73 HA LYS 73 23.055 1.224 -13.183
570 1HB LYS 73 2HB LYS 73 24.211 -1.563 -13.031
571 2HB LYS 73 1HB LYS 73 24.801 -0.252 -14.042
572 1HG LYS 73 2HG LYS 73 24.736 0.729 -11.403
573 2HG LYS 73 1HG LYS 73 25.456 -0.881 -11.335
574 1HD LYS 73 2HD LYS 73 26.830 -0.020 -13.393
575 2HD LYS 73 1HD LYS 73 26.404 1.568 -12.753
576 1HE LYS 73 2HE LYS 73 28.585 0.750 -11.927
577 2HE LYS 73 1HE LYS 73 27.422 1.037 -10.633
578 1HZ LYS 73 1HZ LYS 73 28.802 -1.121 -10.631
579 2HZ LYS 73 2HZ LYS 73 27.700 -1.653 -11.798
580 3HZ LYS 73 3HZ LYS 73 27.153 -1.208 -10.260
581 H ASP 74 H ASP 74 22.733 1.100 -15.403
582 HA ASP 74 HA ASP 74 20.418 -0.403 -16.203
583 1HB ASP 74 2HB ASP 74 21.187 2.001 -16.927
584 2HB ASP 74 1HB ASP 74 22.117 1.127 -18.138
585 H ASN 75 H ASN 75 20.510 -1.465 -18.469
586 HA ASN 75 HA ASN 75 22.073 -3.763 -18.303
587 1HB ASN 75 2HB ASN 75 20.754 -2.550 -20.738
588 2HB ASN 75 1HB ASN 75 21.362 -4.200 -20.634
589 1HD2 ASN 75 1HD2 ASN 75 20.548 -5.046 -18.228
590 2HD2 ASN 75 2HD2 ASN 75 18.822 -5.039 -18.124
591 H GLU 76 H GLU 76 22.825 -0.656 -19.583
592 HA GLU 76 HA GLU 76 25.160 -1.665 -21.018
593 1HB GLU 76 2HB GLU 76 24.024 1.127 -20.801
594 2HB GLU 76 1HB GLU 76 25.425 0.685 -21.766
595 1HG GLU 76 2HG GLU 76 23.735 0.715 -23.325
596 2HG GLU 76 1HG GLU 76 23.818 -0.994 -22.895
597 H GLY 77 H GLY 77 24.797 -1.515 -17.980
598 1HA GLY 77 2HA GLY 77 26.320 -1.313 -16.258
599 2HA GLY 77 1HA GLY 77 27.495 -0.724 -17.423
600 H ASN 78 H ASN 78 24.628 1.039 -17.614
601 HA ASN 78 HA ASN 78 25.857 3.415 -16.686
602 1HB ASN 78 2HB ASN 78 22.884 3.036 -17.034
603 2HB ASN 78 1HB ASN 78 23.828 4.509 -17.237
604 1HD2 ASN 78 1HD2 ASN 78 25.834 3.833 -18.824
605 2HD2 ASN 78 2HD2 ASN 78 25.267 3.263 -20.354
606 H GLU 79 H GLU 79 23.822 4.689 -15.240
607 HA GLU 79 HA GLU 79 23.553 3.117 -12.783
608 1HB GLU 79 2HB GLU 79 24.672 5.925 -12.908
609 2HB GLU 79 1HB GLU 79 24.294 5.047 -11.433
610 1HG GLU 79 2HG GLU 79 25.972 3.360 -12.020
611 2HG GLU 79 1HG GLU 79 26.365 4.275 -13.476
612 H VAL 80 H VAL 80 21.687 3.473 -11.668
613 HA VAL 80 HA VAL 80 20.022 5.771 -12.408
614 HB VAL 80 HB VAL 80 18.120 4.566 -12.964
615 1HG1 VAL 80 1HG1 VAL 80 19.662 4.395 -14.780
616 2HG1 VAL 80 2HG1 VAL 80 18.807 2.858 -14.644
617 3HG1 VAL 80 3HG1 VAL 80 20.459 3.006 -14.041
618 1HG2 VAL 80 1HG2 VAL 80 18.110 1.981 -12.672
619 2HG2 VAL 80 2HG2 VAL 80 17.789 3.009 -11.276
620 3HG2 VAL 80 3HG2 VAL 80 19.385 2.287 -11.494
621 H VAL 81 H VAL 81 18.342 6.223 -10.947
622 HA VAL 81 HA VAL 81 18.964 5.422 -8.212
623 HB VAL 81 HB VAL 81 18.992 7.781 -8.576
624 1HG1 VAL 81 1HG1 VAL 81 16.199 7.568 -9.673
625 2HG1 VAL 81 2HG1 VAL 81 17.663 7.823 -10.626
626 3HG1 VAL 81 3HG1 VAL 81 17.138 9.047 -9.467
627 1HG2 VAL 81 1HG2 VAL 81 17.809 8.384 -6.739
628 2HG2 VAL 81 2HG2 VAL 81 17.597 6.639 -6.594
629 3HG2 VAL 81 3HG2 VAL 81 16.325 7.625 -7.314
630 HA PRO 82 HA PRO 82 15.522 2.483 -8.874
631 1HB PRO 82 2HB PRO 82 16.004 2.426 -5.916
632 2HB PRO 82 1HB PRO 82 15.692 1.088 -7.028
633 1HG PRO 82 2HG PRO 82 18.168 1.638 -6.178
634 2HG PRO 82 1HG PRO 82 17.857 1.068 -7.826
635 1HD PRO 82 2HD PRO 82 18.649 3.754 -6.880
636 2HD PRO 82 1HD PRO 82 18.876 3.001 -8.469
637 H LYS 83 H LYS 83 13.340 2.639 -8.546
638 HA LYS 83 HA LYS 83 12.392 5.099 -7.277
639 1HB LYS 83 2HB LYS 83 11.055 3.120 -9.129
640 2HB LYS 83 1HB LYS 83 10.215 4.478 -8.394
641 1HG LYS 83 2HG LYS 83 12.704 5.126 -9.834
642 2HG LYS 83 1HG LYS 83 11.353 4.564 -10.820
643 1HD LYS 83 2HD LYS 83 10.816 6.764 -10.792
644 2HD LYS 83 1HD LYS 83 10.057 6.318 -9.263
645 1HE LYS 83 2HE LYS 83 12.511 6.833 -8.363
646 2HE LYS 83 1HE LYS 83 12.524 7.879 -9.783
647 1HZ LYS 83 1HZ LYS 83 11.003 8.114 -7.320
648 2HZ LYS 83 2HZ LYS 83 10.165 8.506 -8.736
649 3HZ LYS 83 3HZ LYS 83 11.597 9.320 -8.348
650 HA PRO 84 HA PRO 84 10.725 3.172 -3.733
651 1HB PRO 84 2HB PRO 84 8.479 5.056 -3.861
652 2HB PRO 84 1HB PRO 84 9.761 4.914 -2.653
653 1HG PRO 84 2HG PRO 84 9.741 6.956 -4.339
654 2HG PRO 84 1HG PRO 84 11.268 6.170 -3.918
655 1HD PRO 84 2HD PRO 84 9.558 5.758 -6.351
656 2HD PRO 84 1HD PRO 84 11.305 6.085 -6.251
657 H GLN 85 H GLN 85 9.331 1.576 -3.162
658 HA GLN 85 HA GLN 85 7.692 0.391 -5.133
659 1HB GLN 85 2HB GLN 85 8.433 -0.151 -2.344
660 2HB GLN 85 1HB GLN 85 6.824 -0.716 -2.773
661 1HG GLN 85 2HG GLN 85 7.734 -2.015 -4.599
662 2HG GLN 85 1HG GLN 85 9.351 -1.400 -4.259
663 1HE2 GLN 85 1HE2 GLN 85 6.876 -3.612 -3.337
664 2HE2 GLN 85 2HE2 GLN 85 7.784 -4.466 -2.141
665 H ARG 86 H ARG 86 5.449 0.219 -5.280
666 HA ARG 86 HA ARG 86 3.785 1.818 -3.512
667 1HB ARG 86 2HB ARG 86 4.620 2.739 -6.119
668 2HB ARG 86 1HB ARG 86 2.876 2.521 -6.083
669 1HG ARG 86 2HG ARG 86 2.857 4.599 -5.261
670 2HG ARG 86 1HG ARG 86 3.286 3.819 -3.737
671 1HD ARG 86 2HD ARG 86 5.585 4.301 -4.032
672 2HD ARG 86 1HD ARG 86 5.343 4.765 -5.717
673 HE ARG 86 HE ARG 86 5.072 6.436 -3.442
674 1HH1 ARG 86 1HH1 ARG 86 3.699 5.825 -6.592
675 2HH1 ARG 86 2HH1 ARG 86 3.135 7.450 -6.800
676 1HH2 ARG 86 1HH2 ARG 86 4.333 8.573 -3.714
677 2HH2 ARG 86 2HH2 ARG 86 3.495 9.011 -5.166
678 H HIS 87 H HIS 87 2.087 0.590 -3.028
679 HA HIS 87 HA HIS 87 1.267 -1.506 -4.909
680 1HB HIS 87 2HB HIS 87 0.550 -1.163 -1.991
681 2HB HIS 87 1HB HIS 87 0.134 -2.541 -3.004
682 HD1 HIS 87 HD1 HIS 87 2.277 -3.944 -3.909
683 HD2 HIS 87 HD2 HIS 87 2.929 -1.392 -0.695
684 HE1 HIS 87 HE1 HIS 87 4.441 -4.702 -2.877
685 HE2 HIS 87 HE2 HIS 87 4.773 -3.196 -0.884
686 H MET 88 H MET 88 -1.019 -1.900 -5.254
687 HA MET 88 HA MET 88 -2.722 0.448 -4.792
688 1HB MET 88 2HB MET 88 -1.827 0.542 -7.092
689 2HB MET 88 1HB MET 88 -2.511 -1.047 -7.409
690 1HG MET 88 2HG MET 88 -4.756 -0.135 -6.994
691 2HG MET 88 1HG MET 88 -4.044 1.458 -6.754
692 1HE MET 88 1HE MET 88 -6.396 0.958 -9.178
693 2HE MET 88 2HE MET 88 -5.613 2.251 -10.088
694 3HE MET 88 3HE MET 88 -5.706 2.341 -8.328
695 H PHE 89 H PHE 89 -4.628 -0.043 -3.951
696 HA PHE 89 HA PHE 89 -5.769 -2.706 -4.436
697 1HB PHE 89 2HB PHE 89 -5.593 -1.345 -1.739
698 2HB PHE 89 1HB PHE 89 -6.450 -2.846 -2.066
699 HD1 PHE 89 HD1 PHE 89 -5.226 -4.902 -2.528
700 HD2 PHE 89 HD2 PHE 89 -3.201 -1.281 -1.579
701 HE1 PHE 89 HE1 PHE 89 -3.168 -6.174 -2.085
702 HE2 PHE 89 HE2 PHE 89 -1.138 -2.546 -1.134
703 HZ PHE 89 HZ PHE 89 -1.120 -4.996 -1.388
704 H SER 90 H SER 90 -8.042 -2.802 -4.400
705 HA SER 90 HA SER 90 -9.408 -0.201 -4.239
706 1HB SER 90 2HB SER 90 -9.146 -0.718 -6.591
707 2HB SER 90 1HB SER 90 -9.798 -2.338 -6.343
708 HG SER 90 HG SER 90 -11.749 -1.547 -6.386
709 H PHE 91 H PHE 91 -11.246 -0.157 -3.103
710 HA PHE 91 HA PHE 91 -12.438 -2.727 -2.293
711 1HB PHE 91 2HB PHE 91 -12.442 -0.256 -0.564
712 2HB PHE 91 1HB PHE 91 -12.835 -1.907 -0.099
713 HD1 PHE 91 HD1 PHE 91 -9.944 -0.046 -1.570
714 HD2 PHE 91 HD2 PHE 91 -11.292 -2.996 1.187
715 HE1 PHE 91 HE1 PHE 91 -7.636 -0.369 -0.793
716 HE2 PHE 91 HE2 PHE 91 -8.982 -3.322 1.970
717 HZ PHE 91 HZ PHE 91 -7.150 -2.008 0.978
718 H ASN 92 H ASN 92 -14.746 -2.568 -1.691
719 HA ASN 92 HA ASN 92 -16.089 -0.475 -3.270
720 1HB ASN 92 2HB ASN 92 -17.219 -3.195 -2.623
721 2HB ASN 92 1HB ASN 92 -17.845 -2.010 -3.765
722 1HD2 ASN 92 1HD2 ASN 92 -16.720 -4.873 -3.873
723 2HD2 ASN 92 2HD2 ASN 92 -15.650 -4.822 -5.229
724 H ASN 93 H ASN 93 -15.282 -0.368 -0.445
725 HA ASN 93 HA ASN 93 -17.835 0.485 0.622
726 1HB ASN 93 2HB ASN 93 -17.539 -1.958 1.263
727 2HB ASN 93 1HB ASN 93 -16.169 -1.442 2.243
728 1HD2 ASN 93 1HD2 ASN 93 -17.923 -2.642 3.666
729 2HD2 ASN 93 2HD2 ASN 93 -18.942 -1.570 4.557
730 H ARG 94 H ARG 94 -17.354 2.523 1.128
731 HA ARG 94 HA ARG 94 -14.853 3.584 1.616
732 1HB ARG 94 2HB ARG 94 -17.608 4.489 2.385
733 2HB ARG 94 1HB ARG 94 -16.195 5.412 2.875
734 1HG ARG 94 2HG ARG 94 -16.504 6.484 0.939
735 2HG ARG 94 1HG ARG 94 -15.701 5.082 0.232
736 1HD ARG 94 2HD ARG 94 -17.639 5.376 -1.051
737 2HD ARG 94 1HD ARG 94 -18.023 4.052 0.045
738 HE ARG 94 HE ARG 94 -19.078 6.782 0.163
739 1HH1 ARG 94 1HH1 ARG 94 -19.049 3.524 1.437
740 2HH1 ARG 94 2HH1 ARG 94 -20.516 3.735 2.332
741 1HH2 ARG 94 1HH2 ARG 94 -21.000 7.049 1.341
742 2HH2 ARG 94 2HH2 ARG 94 -21.621 5.731 2.278
743 H THR 95 H THR 95 -17.035 1.991 3.799
744 HA THR 95 HA THR 95 -15.817 2.765 6.214
745 HB THR 95 HB THR 95 -17.159 0.183 6.109
746 HG1 THR 95 HG1 THR 95 -18.416 2.514 5.153
747 1HG2 THR 95 1HG2 THR 95 -16.803 1.463 8.186
748 2HG2 THR 95 2HG2 THR 95 -18.494 1.068 7.876
749 3HG2 THR 95 3HG2 THR 95 -17.893 2.694 7.552
750 H VAL 96 H VAL 96 -15.685 -0.280 4.365
751 HA VAL 96 HA VAL 96 -13.756 -1.547 5.944
752 HB VAL 96 HB VAL 96 -14.184 -1.902 2.971
753 1HG1 VAL 96 1HG1 VAL 96 -12.736 -3.491 5.052
754 2HG1 VAL 96 2HG1 VAL 96 -12.214 -3.034 3.430
755 3HG1 VAL 96 3HG1 VAL 96 -13.435 -4.289 3.644
756 1HG2 VAL 96 1HG2 VAL 96 -15.369 -3.801 4.891
757 2HG2 VAL 96 2HG2 VAL 96 -16.003 -3.178 3.367
758 3HG2 VAL 96 3HG2 VAL 96 -16.108 -2.201 4.831
759 H MET 97 H MET 97 -13.471 0.709 3.276
760 HA MET 97 HA MET 97 -10.684 0.440 2.870
761 1HB MET 97 2HB MET 97 -12.789 1.895 1.714
762 2HB MET 97 1HB MET 97 -11.645 3.103 2.282
763 1HG MET 97 2HG MET 97 -9.857 1.791 1.079
764 2HG MET 97 1HG MET 97 -11.164 0.868 0.342
765 1HE MET 97 1HE MET 97 -9.894 4.369 1.130
766 2HE MET 97 2HE MET 97 -11.598 4.823 1.061
767 3HE MET 97 3HE MET 97 -10.484 5.377 -0.192
768 H ASP 98 H ASP 98 -12.647 2.504 4.951
769 HA ASP 98 HA ASP 98 -10.499 4.128 5.848
770 1HB ASP 98 2HB ASP 98 -12.867 4.823 6.008
771 2HB ASP 98 1HB ASP 98 -13.143 3.558 7.203
772 H ASN 99 H ASN 99 -11.896 1.123 6.938
773 HA ASN 99 HA ASN 99 -10.653 0.975 9.457
774 1HB ASN 99 2HB ASN 99 -11.437 -1.286 7.601
775 2HB ASN 99 1HB ASN 99 -11.059 -1.455 9.314
776 1HD2 ASN 99 1HD2 ASN 99 -13.508 -2.080 7.850
777 2HD2 ASN 99 2HD2 ASN 99 -14.764 -1.171 8.614
778 H ILE 100 H ILE 100 -9.570 0.166 6.227
779 HA ILE 100 HA ILE 100 -7.170 -1.158 7.013
780 HB ILE 100 HB ILE 100 -7.868 0.157 4.381
781 1HG1 ILE 100 2HG1 ILE 100 -9.396 -1.690 5.204
782 2HG1 ILE 100 1HG1 ILE 100 -8.637 -1.969 3.639
783 1HG2 ILE 100 1HG2 ILE 100 -5.538 -0.111 4.377
784 2HG2 ILE 100 2HG2 ILE 100 -6.158 -1.521 3.515
785 3HG2 ILE 100 3HG2 ILE 100 -5.630 -1.672 5.192
786 1HD1 ILE 100 1HD1 ILE 100 -7.294 -3.636 4.437
787 2HD1 ILE 100 2HD1 ILE 100 -8.734 -3.857 5.434
788 3HD1 ILE 100 3HD1 ILE 100 -7.323 -3.022 6.094
789 H LYS 101 H LYS 101 -7.857 2.093 5.741
790 HA LYS 101 HA LYS 101 -5.216 3.035 5.911
791 1HB LYS 101 2HB LYS 101 -6.063 5.152 5.378
792 2HB LYS 101 1HB LYS 101 -7.189 4.036 4.622
793 1HG LYS 101 2HG LYS 101 -8.668 4.325 6.622
794 2HG LYS 101 1HG LYS 101 -7.590 5.623 7.141
795 1HD LYS 101 2HD LYS 101 -8.002 6.467 4.672
796 2HD LYS 101 1HD LYS 101 -9.475 5.514 4.839
797 1HE LYS 101 2HE LYS 101 -9.066 7.099 7.194
798 2HE LYS 101 1HE LYS 101 -8.989 8.124 5.762
799 1HZ LYS 101 1HZ LYS 101 -11.157 6.208 5.777
800 2HZ LYS 101 2HZ LYS 101 -11.160 7.844 5.347
801 3HZ LYS 101 3HZ LYS 101 -11.259 7.399 6.975
802 H MET 102 H MET 102 -7.710 2.695 8.272
803 HA MET 102 HA MET 102 -6.509 4.461 10.197
804 1HB MET 102 2HB MET 102 -8.590 4.367 11.006
805 2HB MET 102 1HB MET 102 -8.989 3.047 9.922
806 1HG MET 102 2HG MET 102 -8.016 1.477 11.592
807 2HG MET 102 1HG MET 102 -7.842 2.843 12.691
808 1HE MET 102 1HE MET 102 -11.554 4.028 12.980
809 2HE MET 102 2HE MET 102 -11.135 4.032 11.266
810 3HE MET 102 3HE MET 102 -9.964 4.588 12.461
811 H THR 103 H THR 103 -6.670 0.980 9.629
812 HA THR 103 HA THR 103 -5.196 0.276 11.965
813 HB THR 103 HB THR 103 -6.533 -1.063 9.802
814 HG1 THR 103 HG1 THR 103 -5.552 -2.024 12.281
815 1HG2 THR 103 1HG2 THR 103 -3.845 -2.148 10.545
816 2HG2 THR 103 2HG2 THR 103 -4.420 -1.704 8.938
817 3HG2 THR 103 3HG2 THR 103 -5.124 -3.090 9.775
818 H LEU 104 H LEU 104 -4.349 0.826 8.581
819 HA LEU 104 HA LEU 104 -1.684 -0.040 8.727
820 1HB LEU 104 2HB LEU 104 -3.234 1.735 6.912
821 2HB LEU 104 1HB LEU 104 -1.485 1.800 6.817
822 HG LEU 104 HG LEU 104 -3.100 -0.730 6.510
823 1HD1 LEU 104 1HD1 LEU 104 -1.809 0.926 4.351
824 2HD1 LEU 104 2HD1 LEU 104 -3.533 0.939 4.719
825 3HD1 LEU 104 3HD1 LEU 104 -2.766 -0.542 4.147
826 1HD2 LEU 104 1HD2 LEU 104 -0.503 -0.523 7.196
827 2HD2 LEU 104 2HD2 LEU 104 -0.367 -0.477 5.437
828 3HD2 LEU 104 3HD2 LEU 104 -1.158 -1.842 6.225
829 H GLN 105 H GLN 105 -3.183 3.072 9.421
830 HA GLN 105 HA GLN 105 -0.815 4.552 9.746
831 1HB GLN 105 2HB GLN 105 -3.660 4.917 10.315
832 2HB GLN 105 1HB GLN 105 -2.614 5.739 11.465
833 1HG GLN 105 2HG GLN 105 -1.443 6.795 9.535
834 2HG GLN 105 1HG GLN 105 -2.668 6.088 8.480
835 1HE2 GLN 105 1HE2 GLN 105 -3.901 7.706 7.825
836 2HE2 GLN 105 2HE2 GLN 105 -4.633 8.894 8.842
837 H GLN 106 H GLN 106 -2.459 2.316 11.802
838 HA GLN 106 HA GLN 106 -1.281 3.123 14.260
839 1HB GLN 106 2HB GLN 106 -2.519 0.505 13.396
840 2HB GLN 106 1HB GLN 106 -1.998 0.847 15.041
841 1HG GLN 106 2HG GLN 106 -3.592 2.662 15.199
842 2HG GLN 106 1HG GLN 106 -4.082 2.402 13.525
843 1HE2 GLN 106 1HE2 GLN 106 -5.908 2.374 15.580
844 2HE2 GLN 106 2HE2 GLN 106 -6.521 0.770 15.782
845 H ILE 107 H ILE 107 -0.323 0.923 11.699
846 HA ILE 107 HA ILE 107 1.814 -0.276 13.167
847 HB ILE 107 HB ILE 107 1.359 -0.203 10.181
848 1HG1 ILE 107 2HG1 ILE 107 0.860 -2.723 11.547
849 2HG1 ILE 107 1HG1 ILE 107 -0.168 -1.435 12.165
850 1HG2 ILE 107 1HG2 ILE 107 3.660 -0.740 10.694
851 2HG2 ILE 107 2HG2 ILE 107 2.821 -2.193 10.151
852 3HG2 ILE 107 3HG2 ILE 107 3.146 -1.953 11.868
853 1HD1 ILE 107 1HD1 ILE 107 -0.831 -2.946 10.085
854 2HD1 ILE 107 2HD1 ILE 107 0.046 -1.677 9.232
855 3HD1 ILE 107 3HD1 ILE 107 -1.338 -1.265 10.244
856 H ILE 108 H ILE 108 1.657 2.268 10.686
857 HA ILE 108 HA ILE 108 4.402 2.736 10.431
858 HB ILE 108 HB ILE 108 2.482 5.034 10.426
859 1HG1 ILE 108 2HG1 ILE 108 2.797 3.400 7.948
860 2HG1 ILE 108 1HG1 ILE 108 1.646 2.871 9.167
861 1HG2 ILE 108 1HG2 ILE 108 4.039 6.100 9.224
862 2HG2 ILE 108 2HG2 ILE 108 4.420 4.676 8.257
863 3HG2 ILE 108 3HG2 ILE 108 5.124 4.865 9.863
864 1HD1 ILE 108 1HD1 ILE 108 0.851 5.361 9.033
865 2HD1 ILE 108 2HD1 ILE 108 0.297 4.154 7.870
866 3HD1 ILE 108 3HD1 ILE 108 1.592 5.271 7.434
867 H SER 109 H SER 109 2.078 4.549 12.311
868 HA SER 109 HA SER 109 3.776 6.139 13.778
869 1HB SER 109 2HB SER 109 1.297 6.323 13.798
870 2HB SER 109 1HB SER 109 1.227 4.888 14.821
871 HG SER 109 HG SER 109 1.937 7.484 15.449
872 H ARG 110 H ARG 110 3.099 2.762 14.169
873 HA ARG 110 HA ARG 110 4.113 2.458 16.795
874 1HB ARG 110 2HB ARG 110 3.088 0.758 14.711
875 2HB ARG 110 1HB ARG 110 4.540 0.046 15.398
876 1HG ARG 110 2HG ARG 110 3.526 0.292 17.651
877 2HG ARG 110 1HG ARG 110 2.042 0.848 16.873
878 1HD ARG 110 2HD ARG 110 1.985 -1.293 15.602
879 2HD ARG 110 1HD ARG 110 3.370 -1.839 16.546
880 HE ARG 110 HE ARG 110 0.639 -1.761 17.385
881 1HH1 ARG 110 1HH1 ARG 110 3.935 -1.545 18.512
882 2HH1 ARG 110 2HH1 ARG 110 3.554 -2.077 20.116
883 1HH2 ARG 110 1HH2 ARG 110 0.135 -2.460 19.494
884 2HH2 ARG 110 2HH2 ARG 110 1.397 -2.596 20.672
885 H TYR 111 H TYR 111 5.553 2.410 13.626
886 HA TYR 111 HA TYR 111 8.168 1.719 14.721
887 1HB TYR 111 2HB TYR 111 7.188 2.096 11.888
888 2HB TYR 111 1HB TYR 111 8.872 1.784 12.295
889 HD1 TYR 111 HD1 TYR 111 5.642 0.330 11.711
890 HD2 TYR 111 HD2 TYR 111 9.438 -0.378 13.496
891 HE1 TYR 111 HE1 TYR 111 5.184 -2.085 11.712
892 HE2 TYR 111 HE2 TYR 111 8.993 -2.796 13.498
893 HH TYR 111 HH TYR 111 6.617 -4.229 13.500
894 H LYS 112 H LYS 112 6.410 4.422 13.380
895 HA LYS 112 HA LYS 112 8.605 6.146 12.947
896 1HB LYS 112 2HB LYS 112 5.734 6.299 12.825
897 2HB LYS 112 1HB LYS 112 6.370 7.723 13.636
898 1HG LYS 112 2HG LYS 112 6.941 8.600 11.692
899 2HG LYS 112 1HG LYS 112 7.977 7.213 11.352
900 1HD LYS 112 2HD LYS 112 6.530 6.373 9.879
901 2HD LYS 112 1HD LYS 112 5.164 6.607 10.972
902 1HE LYS 112 2HE LYS 112 6.110 9.133 9.959
903 2HE LYS 112 1HE LYS 112 5.737 8.033 8.635
904 1HZ LYS 112 1HZ LYS 112 3.965 9.369 10.456
905 2HZ LYS 112 2HZ LYS 112 3.637 7.716 10.319
906 3HZ LYS 112 3HZ LYS 112 3.646 8.693 8.938
907 H ASP 113 H ASP 113 6.596 5.457 15.743
908 HA ASP 113 HA ASP 113 7.413 7.561 17.401
909 1HB ASP 113 2HB ASP 113 6.384 4.788 17.979
910 2HB ASP 113 1HB ASP 113 6.790 5.913 19.271
911 H ALA 114 H ALA 114 8.851 4.416 16.747
912 HA ALA 114 HA ALA 114 10.768 4.411 18.797
913 1HB ALA 114 1HB ALA 114 10.675 2.347 17.876
914 2HB ALA 114 2HB ALA 114 12.014 2.973 16.911
915 3HB ALA 114 3HB ALA 114 10.377 2.964 16.251
916 H ASP 115 H ASP 115 10.733 5.903 15.627
917 HA ASP 115 HA ASP 115 13.491 6.826 15.985
918 1HB ASP 115 2HB ASP 115 12.869 5.801 13.813
919 2HB ASP 115 1HB ASP 115 11.684 7.082 13.570
920 H LEU 45 1H LEU 45 -2.165 7.900 -17.513
921 HA LEU 45 HA LEU 45 -0.972 7.052 -20.064
922 1HB LEU 45 2HB LEU 45 -0.601 9.522 -18.363
923 2HB LEU 45 1HB LEU 45 0.167 9.203 -19.907
924 HG LEU 45 HG LEU 45 -2.774 9.687 -19.433
925 1HD1 LEU 45 1HD1 LEU 45 -0.500 11.346 -20.329
926 2HD1 LEU 45 2HD1 LEU 45 -1.970 11.800 -19.465
927 3HD1 LEU 45 3HD1 LEU 45 -2.017 11.537 -21.207
928 1HD2 LEU 45 1HD2 LEU 45 -1.280 8.978 -21.951
929 2HD2 LEU 45 2HD2 LEU 45 -2.923 9.615 -21.917
930 3HD2 LEU 45 3HD2 LEU 45 -2.567 8.057 -21.174
931 H SER 46 H SER 46 -0.009 8.328 -16.873
932 HA SER 46 HA SER 46 1.993 6.180 -16.705
933 1HB SER 46 2HB SER 46 2.411 9.120 -16.599
934 2HB SER 46 1HB SER 46 3.326 8.144 -15.449
935 HG SER 46 HG SER 46 4.595 7.670 -17.039
936 HA PRO 47 HA PRO 47 0.919 5.327 -12.526
937 1HB PRO 47 2HB PRO 47 3.588 6.319 -11.642
938 2HB PRO 47 1HB PRO 47 2.791 4.781 -11.300
939 1HG PRO 47 2HG PRO 47 4.771 4.911 -13.071
940 2HG PRO 47 1HG PRO 47 3.362 3.876 -13.362
941 1HD PRO 47 2HD PRO 47 4.064 6.508 -14.575
942 2HD PRO 47 1HD PRO 47 3.250 5.110 -15.304
943 H ASP 48 H ASP 48 2.629 8.392 -12.987
944 HA ASP 48 HA ASP 48 1.940 9.681 -10.629
945 1HB ASP 48 2HB ASP 48 2.331 10.794 -13.411
946 2HB ASP 48 1HB ASP 48 2.156 11.802 -11.977
947 H ASP 49 H ASP 49 -0.010 8.913 -13.384
948 HA ASP 49 HA ASP 49 -2.067 10.800 -13.049
949 1HB ASP 49 2HB ASP 49 -1.603 9.126 -14.995
950 2HB ASP 49 1HB ASP 49 -2.601 8.022 -14.051
951 H ILE 50 H ILE 50 -1.660 7.515 -11.787
952 HA ILE 50 HA ILE 50 -4.135 7.436 -10.410
953 HB ILE 50 HB ILE 50 -1.650 5.840 -9.792
954 1HG1 ILE 50 2HG1 ILE 50 -2.257 5.642 -12.165
955 2HG1 ILE 50 1HG1 ILE 50 -2.568 4.139 -11.304
956 1HG2 ILE 50 1HG2 ILE 50 -3.185 4.209 -8.862
957 2HG2 ILE 50 2HG2 ILE 50 -4.559 5.234 -9.282
958 3HG2 ILE 50 3HG2 ILE 50 -3.398 5.769 -8.068
959 1HD1 ILE 50 1HD1 ILE 50 -4.434 4.394 -12.643
960 2HD1 ILE 50 2HD1 ILE 50 -4.514 6.135 -12.376
961 3HD1 ILE 50 3HD1 ILE 50 -4.975 5.024 -11.088
962 H GLU 51 H GLU 51 -1.084 8.844 -9.680
963 HA GLU 51 HA GLU 51 -1.210 8.853 -6.867
964 1HB GLU 51 2HB GLU 51 0.123 10.795 -8.763
965 2HB GLU 51 1HB GLU 51 0.387 10.759 -7.024
966 1HG GLU 51 2HG GLU 51 1.240 8.460 -7.226
967 2HG GLU 51 1HG GLU 51 1.034 8.558 -8.975
968 H GLN 52 H GLN 52 -2.643 10.915 -9.305
969 HA GLN 52 HA GLN 52 -3.424 13.005 -7.540
970 1HB GLN 52 2HB GLN 52 -3.763 12.341 -10.356
971 2HB GLN 52 1HB GLN 52 -5.205 13.075 -9.667
972 1HG GLN 52 2HG GLN 52 -4.204 15.079 -9.342
973 2HG GLN 52 1HG GLN 52 -2.617 14.367 -9.061
974 1HE2 GLN 52 1HE2 GLN 52 -2.083 12.961 -11.245
975 2HE2 GLN 52 2HE2 GLN 52 -2.069 13.959 -12.656
976 H TRP 53 H TRP 53 -4.844 9.966 -8.504
977 HA TRP 53 HA TRP 53 -7.502 10.358 -7.820
978 1HB TRP 53 2HB TRP 53 -5.740 7.916 -7.655
979 2HB TRP 53 1HB TRP 53 -7.453 7.860 -7.252
980 HD1 TRP 53 HD1 TRP 53 -5.563 9.434 -10.270
981 HE1 TRP 53 HE1 TRP 53 -6.722 8.632 -12.422
982 HE3 TRP 53 HE3 TRP 53 -9.146 6.434 -8.196
983 HZ2 TRP 53 HZ2 TRP 53 -8.872 6.951 -13.146
984 HZ3 TRP 53 HZ3 TRP 53 -10.715 5.265 -9.688
985 HH2 TRP 53 HH2 TRP 53 -10.579 5.521 -12.114
986 H PHE 54 H PHE 54 -4.720 10.090 -5.779
987 HA PHE 54 HA PHE 54 -6.435 9.913 -3.399
988 1HB PHE 54 2HB PHE 54 -3.470 9.409 -3.717
989 2HB PHE 54 1HB PHE 54 -4.339 9.334 -2.189
990 HD1 PHE 54 HD1 PHE 54 -3.833 7.721 -5.442
991 HD2 PHE 54 HD2 PHE 54 -5.746 7.475 -1.649
992 HE1 PHE 54 HE1 PHE 54 -4.374 5.360 -5.872
993 HE2 PHE 54 HE2 PHE 54 -6.290 5.113 -2.072
994 HZ PHE 54 HZ PHE 54 -5.604 4.053 -4.186
995 H THR 55 H THR 55 -4.323 11.997 -5.164
996 HA THR 55 HA THR 55 -3.818 13.775 -2.958
997 HB THR 55 HB THR 55 -2.909 13.469 -5.695
998 HG1 THR 55 HG1 THR 55 -1.857 14.571 -3.321
999 1HG2 THR 55 1HG2 THR 55 -2.146 15.886 -5.817
1000 2HG2 THR 55 2HG2 THR 55 -3.451 16.228 -4.680
1001 3HG2 THR 55 3HG2 THR 55 -3.818 15.541 -6.263
1002 H GLU 56 H GLU 56 -6.046 13.562 -5.648
1003 HA GLU 56 HA GLU 56 -7.047 16.177 -5.613
1004 1HB GLU 56 2HB GLU 56 -8.312 13.556 -6.399
1005 2HB GLU 56 1HB GLU 56 -9.137 15.097 -6.586
1006 1HG GLU 56 2HG GLU 56 -7.334 15.876 -8.047
1007 2HG GLU 56 1HG GLU 56 -6.529 14.317 -7.871
1008 H ASP 57 H ASP 57 -8.649 17.187 -4.482
1009 HA ASP 57 HA ASP 57 -9.918 15.672 -2.301
1010 1HB ASP 57 2HB ASP 57 -8.295 18.153 -2.176
1011 2HB ASP 57 1HB ASP 57 -9.748 18.118 -1.183
1012 HA PRO 58 HA PRO 58 -13.753 17.457 -3.521
1013 1HB PRO 58 2HB PRO 58 -14.959 18.074 -1.169
1014 2HB PRO 58 1HB PRO 58 -14.747 16.412 -1.730
1015 1HG PRO 58 2HG PRO 58 -13.117 17.964 0.243
1016 2HG PRO 58 1HG PRO 58 -13.677 16.284 0.330
1017 1HD PRO 58 2HD PRO 58 -11.154 16.940 -0.393
1018 2HD PRO 58 1HD PRO 58 -11.994 15.520 -1.047
Start of MODEL 16
1 HT1 PRO 1 HT2 PRO 1 -14.564 -5.576 11.616
2 HT2 PRO 1 HT1 PRO 1 -13.621 -4.257 12.145
3 HA PRO 1 HA PRO 1 -13.406 -5.789 9.843
4 1HB PRO 1 2HB PRO 1 -13.153 -3.284 8.648
5 2HB PRO 1 1HB PRO 1 -14.461 -4.439 8.376
6 1HG PRO 1 2HG PRO 1 -14.389 -2.045 10.143
7 2HG PRO 1 1HG PRO 1 -15.747 -2.734 9.238
8 1HD PRO 1 2HD PRO 1 -15.484 -3.026 11.924
9 2HD PRO 1 1HD PRO 1 -16.242 -4.263 10.903
10 H SER 2 H SER 2 -11.980 -5.389 12.219
11 HA SER 2 HA SER 2 -9.719 -3.669 11.530
12 1HB SER 2 2HB SER 2 -10.227 -5.258 14.057
13 2HB SER 2 1HB SER 2 -8.960 -4.055 13.816
14 HG SER 2 HG SER 2 -10.456 -2.464 13.799
15 H HIS 3 H HIS 3 -7.800 -4.416 10.857
16 HA HIS 3 HA HIS 3 -6.160 -5.833 10.174
17 1HB HIS 3 2HB HIS 3 -7.325 -7.838 12.110
18 2HB HIS 3 1HB HIS 3 -5.672 -7.765 11.509
19 HD1 HIS 3 HD1 HIS 3 -8.023 -6.022 13.864
20 HD2 HIS 3 HD2 HIS 3 -3.994 -6.013 12.849
21 HE1 HIS 3 HE1 HIS 3 -6.901 -4.585 15.592
22 HE2 HIS 3 HE2 HIS 3 -4.472 -4.532 14.916
23 H SER 4 H SER 4 -8.730 -5.776 8.884
24 HA SER 4 HA SER 4 -8.383 -7.643 6.903
25 1HB SER 4 2HB SER 4 -10.177 -9.272 7.257
26 2HB SER 4 1HB SER 4 -8.968 -9.376 8.541
27 HG SER 4 HG SER 4 -11.470 -8.043 8.689
28 H GLY 5 H GLY 5 -9.396 -6.866 5.202
29 1HA GLY 5 2HA GLY 5 -12.093 -5.886 5.332
30 2HA GLY 5 1HA GLY 5 -10.908 -4.602 5.127
31 H ALA 6 H ALA 6 -12.834 -6.844 3.562
32 HA ALA 6 HA ALA 6 -11.680 -7.860 1.402
33 1HB ALA 6 1HB ALA 6 -14.243 -6.340 1.589
34 2HB ALA 6 2HB ALA 6 -13.978 -8.079 1.464
35 3HB ALA 6 3HB ALA 6 -13.720 -7.045 0.059
36 H ALA 7 H ALA 7 -10.157 -7.203 0.058
37 HA ALA 7 HA ALA 7 -10.302 -4.440 -0.981
38 1HB ALA 7 1HB ALA 7 -7.681 -5.730 -0.286
39 2HB ALA 7 2HB ALA 7 -8.587 -4.768 0.883
40 3HB ALA 7 3HB ALA 7 -8.019 -4.032 -0.616
41 H ILE 8 H ILE 8 -9.378 -4.089 -3.049
42 HA ILE 8 HA ILE 8 -9.260 -6.524 -4.666
43 HB ILE 8 HB ILE 8 -9.879 -3.676 -5.302
44 1HG1 ILE 8 2HG1 ILE 8 -11.329 -5.540 -6.858
45 2HG1 ILE 8 1HG1 ILE 8 -11.228 -6.203 -5.231
46 1HG2 ILE 8 1HG2 ILE 8 -9.697 -4.166 -7.722
47 2HG2 ILE 8 2HG2 ILE 8 -8.829 -5.646 -7.316
48 3HG2 ILE 8 3HG2 ILE 8 -8.143 -4.077 -6.892
49 1HD1 ILE 8 1HD1 ILE 8 -12.232 -3.473 -5.942
50 2HD1 ILE 8 2HD1 ILE 8 -12.156 -4.172 -4.324
51 3HD1 ILE 8 3HD1 ILE 8 -13.222 -4.875 -5.540
52 H PHE 9 H PHE 9 -7.432 -7.284 -5.391
53 HA PHE 9 HA PHE 9 -5.076 -5.493 -5.395
54 1HB PHE 9 2HB PHE 9 -5.041 -7.366 -3.706
55 2HB PHE 9 1HB PHE 9 -5.003 -8.489 -5.060
56 HD1 PHE 9 HD1 PHE 9 -2.934 -9.375 -5.461
57 HD2 PHE 9 HD2 PHE 9 -3.222 -5.337 -4.147
58 HE1 PHE 9 HE1 PHE 9 -0.485 -9.170 -5.567
59 HE2 PHE 9 HE2 PHE 9 -0.773 -5.125 -4.251
60 HZ PHE 9 HZ PHE 9 0.599 -7.043 -4.962
61 H GLU 10 H GLU 10 -4.064 -5.184 -7.274
62 HA GLU 10 HA GLU 10 -3.537 -5.332 -9.485
63 1HB GLU 10 2HB GLU 10 -4.070 -8.276 -9.089
64 2HB GLU 10 1HB GLU 10 -3.171 -7.557 -10.419
65 1HG GLU 10 2HG GLU 10 -1.499 -6.735 -8.813
66 2HG GLU 10 1HG GLU 10 -2.387 -7.531 -7.513
67 H LYS 11 H LYS 11 -6.269 -4.792 -8.729
68 HA LYS 11 HA LYS 11 -8.208 -4.362 -9.855
69 1HB LYS 11 2HB LYS 11 -7.217 -6.057 -12.147
70 2HB LYS 11 1HB LYS 11 -8.452 -4.805 -12.184
71 1HG LYS 11 2HG LYS 11 -6.684 -3.137 -11.643
72 2HG LYS 11 1HG LYS 11 -5.490 -4.425 -11.812
73 1HD LYS 11 2HD LYS 11 -6.268 -4.794 -14.129
74 2HD LYS 11 1HD LYS 11 -7.384 -3.440 -13.945
75 1HE LYS 11 2HE LYS 11 -5.255 -2.108 -13.288
76 2HE LYS 11 1HE LYS 11 -4.394 -3.428 -14.080
77 1HZ LYS 11 1HZ LYS 11 -6.308 -1.515 -15.269
78 2HZ LYS 11 2HZ LYS 11 -5.929 -2.975 -16.034
79 3HZ LYS 11 3HZ LYS 11 -4.713 -1.838 -15.734
80 H VAL 12 H VAL 12 -7.122 -7.184 -8.698
81 HA VAL 12 HA VAL 12 -9.520 -8.714 -9.379
82 HB VAL 12 HB VAL 12 -6.877 -9.534 -8.182
83 1HG1 VAL 12 1HG1 VAL 12 -9.470 -11.069 -8.237
84 2HG1 VAL 12 2HG1 VAL 12 -8.423 -10.751 -6.852
85 3HG1 VAL 12 3HG1 VAL 12 -7.898 -11.859 -8.122
86 1HG2 VAL 12 1HG2 VAL 12 -6.847 -9.441 -10.539
87 2HG2 VAL 12 2HG2 VAL 12 -8.429 -10.225 -10.647
88 3HG2 VAL 12 3HG2 VAL 12 -7.023 -11.148 -10.110
89 H SER 13 H SER 13 -10.758 -9.638 -7.726
90 HA SER 13 HA SER 13 -10.819 -7.920 -5.377
91 1HB SER 13 2HB SER 13 -12.993 -8.925 -4.915
92 2HB SER 13 1HB SER 13 -12.903 -8.276 -6.550
93 HG SER 13 HG SER 13 -13.826 -10.298 -6.676
94 H GLY 14 H GLY 14 -10.757 -8.598 -3.287
95 1HA GLY 14 2HA GLY 14 -10.542 -11.274 -2.434
96 2HA GLY 14 1HA GLY 14 -8.932 -10.599 -2.641
97 H ILE 15 H ILE 15 -9.262 -11.288 -0.215
98 HA ILE 15 HA ILE 15 -10.313 -8.999 1.284
99 HB ILE 15 HB ILE 15 -9.461 -11.639 2.446
100 1HG1 ILE 15 2HG1 ILE 15 -11.267 -11.786 0.655
101 2HG1 ILE 15 1HG1 ILE 15 -11.656 -12.481 2.227
102 1HG2 ILE 15 1HG2 ILE 15 -10.803 -9.198 3.472
103 2HG2 ILE 15 2HG2 ILE 15 -9.638 -10.268 4.267
104 3HG2 ILE 15 3HG2 ILE 15 -11.331 -10.752 4.117
105 1HD1 ILE 15 1HD1 ILE 15 -13.242 -10.906 2.664
106 2HD1 ILE 15 2HD1 ILE 15 -13.349 -10.981 0.902
107 3HD1 ILE 15 3HD1 ILE 15 -12.451 -9.675 1.679
108 H ILE 16 H ILE 16 -9.008 -7.762 2.493
109 HA ILE 16 HA ILE 16 -6.147 -8.430 2.411
110 HB ILE 16 HB ILE 16 -7.595 -5.976 1.940
111 1HG1 ILE 16 2HG1 ILE 16 -4.654 -6.664 1.836
112 2HG1 ILE 16 1HG1 ILE 16 -5.806 -6.810 0.515
113 1HG2 ILE 16 1HG2 ILE 16 -5.522 -5.772 4.106
114 2HG2 ILE 16 2HG2 ILE 16 -7.250 -5.474 4.278
115 3HG2 ILE 16 3HG2 ILE 16 -6.277 -4.421 3.256
116 1HD1 ILE 16 1HD1 ILE 16 -5.703 -4.627 0.015
117 2HD1 ILE 16 2HD1 ILE 16 -4.159 -4.715 0.862
118 3HD1 ILE 16 3HD1 ILE 16 -5.595 -4.134 1.706
119 H ALA 17 H ALA 17 -5.390 -9.213 4.244
120 HA ALA 17 HA ALA 17 -6.653 -8.356 6.759
121 1HB ALA 17 1HB ALA 17 -7.244 -10.673 6.045
122 2HB ALA 17 2HB ALA 17 -6.465 -10.564 7.630
123 3HB ALA 17 3HB ALA 17 -5.537 -11.100 6.229
124 H ILE 18 H ILE 18 -5.387 -7.682 8.339
125 HA ILE 18 HA ILE 18 -2.492 -7.695 7.866
126 HB ILE 18 HB ILE 18 -4.271 -5.848 9.450
127 1HG1 ILE 18 2HG1 ILE 18 -2.361 -5.206 7.203
128 2HG1 ILE 18 1HG1 ILE 18 -4.039 -5.660 6.918
129 1HG2 ILE 18 1HG2 ILE 18 -1.448 -6.407 9.817
130 2HG2 ILE 18 2HG2 ILE 18 -2.565 -5.478 10.818
131 3HG2 ILE 18 3HG2 ILE 18 -1.759 -4.710 9.450
132 1HD1 ILE 18 1HD1 ILE 18 -3.753 -3.256 6.874
133 2HD1 ILE 18 2HD1 ILE 18 -3.098 -3.290 8.512
134 3HD1 ILE 18 3HD1 ILE 18 -4.779 -3.742 8.225
135 H ASN 19 H ASN 19 -1.073 -8.446 9.373
136 HA ASN 19 HA ASN 19 -2.175 -9.501 11.886
137 1HB ASN 19 2HB ASN 19 -0.301 -10.921 9.986
138 2HB ASN 19 1HB ASN 19 -0.622 -11.459 11.632
139 1HD2 ASN 19 1HD2 ASN 19 -1.159 -13.305 9.961
140 2HD2 ASN 19 2HD2 ASN 19 -2.841 -13.446 9.591
141 H GLU 20 H GLU 20 -1.222 -8.476 13.506
142 HA GLU 20 HA GLU 20 1.457 -7.379 13.154
143 1HB GLU 20 2HB GLU 20 -0.506 -7.040 15.427
144 2HB GLU 20 1HB GLU 20 1.022 -6.187 15.262
145 1HG GLU 20 2HG GLU 20 0.199 -5.169 13.176
146 2HG GLU 20 1HG GLU 20 -1.351 -5.977 13.422
147 H ASP 21 H ASP 21 0.389 -10.297 13.963
148 HA ASP 21 HA ASP 21 1.866 -10.768 16.386
149 1HB ASP 21 2HB ASP 21 -0.196 -12.048 15.712
150 2HB ASP 21 1HB ASP 21 0.763 -12.805 14.444
151 H VAL 22 H VAL 22 2.558 -10.631 13.052
152 HA VAL 22 HA VAL 22 4.994 -12.217 13.341
153 HB VAL 22 HB VAL 22 5.060 -11.576 10.768
154 1HG1 VAL 22 1HG1 VAL 22 4.736 -13.835 12.059
155 2HG1 VAL 22 2HG1 VAL 22 4.424 -13.731 10.326
156 3HG1 VAL 22 3HG1 VAL 22 3.082 -13.681 11.469
157 1HG2 VAL 22 1HG2 VAL 22 2.096 -11.675 11.232
158 2HG2 VAL 22 2HG2 VAL 22 2.958 -11.329 9.732
159 3HG2 VAL 22 3HG2 VAL 22 2.982 -10.159 11.053
160 H SER 23 H SER 23 7.029 -11.346 12.990
161 HA SER 23 HA SER 23 7.124 -8.413 12.792
162 1HB SER 23 2HB SER 23 8.965 -10.275 14.295
163 2HB SER 23 1HB SER 23 9.214 -8.536 14.124
164 HG SER 23 HG SER 23 7.373 -9.935 15.670
165 HA PRO 24 HA PRO 24 7.804 -6.877 11.885
166 1HB PRO 24 2HB PRO 24 7.795 -5.968 9.164
167 2HB PRO 24 1HB PRO 24 8.783 -5.390 10.505
168 1HG PRO 24 2HG PRO 24 9.750 -6.742 8.303
169 2HG PRO 24 1HG PRO 24 10.577 -6.625 9.866
170 1HD PRO 24 2HD PRO 24 8.963 -8.865 8.730
171 2HD PRO 24 1HD PRO 24 10.421 -8.922 9.746
172 H ALA 25 H ALA 25 5.665 -6.376 11.899
173 HA ALA 25 HA ALA 25 3.699 -8.096 11.136
174 1HB ALA 25 1HB ALA 25 2.111 -6.352 11.453
175 2HB ALA 25 2HB ALA 25 3.314 -5.109 11.104
176 3HB ALA 25 3HB ALA 25 3.435 -6.064 12.582
177 H GLU 26 H GLU 26 2.511 -8.558 9.343
178 HA GLU 26 HA GLU 26 3.087 -7.002 6.912
179 1HB GLU 26 2HB GLU 26 2.851 -10.010 7.032
180 2HB GLU 26 1HB GLU 26 3.215 -9.042 5.610
181 1HG GLU 26 2HG GLU 26 5.293 -8.275 6.776
182 2HG GLU 26 1HG GLU 26 4.945 -9.463 8.031
183 H LEU 27 H LEU 27 1.534 -7.412 5.153
184 HA LEU 27 HA LEU 27 -1.180 -7.936 6.173
185 1HB LEU 27 2HB LEU 27 -0.925 -5.565 5.765
186 2HB LEU 27 1HB LEU 27 -0.253 -5.869 4.175
187 HG LEU 27 HG LEU 27 -3.031 -6.786 4.809
188 1HD1 LEU 27 1HD1 LEU 27 -3.950 -4.747 4.752
189 2HD1 LEU 27 2HD1 LEU 27 -2.832 -4.172 3.514
190 3HD1 LEU 27 3HD1 LEU 27 -2.344 -4.177 5.208
191 1HD2 LEU 27 1HD2 LEU 27 -2.744 -7.503 2.713
192 2HD2 LEU 27 2HD2 LEU 27 -1.314 -6.500 2.468
193 3HD2 LEU 27 3HD2 LEU 27 -2.922 -5.811 2.246
194 H THR 28 H THR 28 -2.202 -9.552 5.147
195 HA THR 28 HA THR 28 -1.095 -10.430 2.566
196 HB THR 28 HB THR 28 -2.573 -12.076 4.622
197 HG1 THR 28 HG1 THR 28 -0.708 -12.238 5.532
198 1HG2 THR 28 1HG2 THR 28 -1.509 -12.691 1.934
199 2HG2 THR 28 2HG2 THR 28 -2.898 -13.362 2.792
200 3HG2 THR 28 3HG2 THR 28 -1.266 -13.890 3.204
201 H TRP 29 H TRP 29 -2.332 -10.432 0.832
202 HA TRP 29 HA TRP 29 -5.177 -9.851 1.102
203 1HB TRP 29 2HB TRP 29 -3.966 -8.293 -0.308
204 2HB TRP 29 1HB TRP 29 -3.276 -9.619 -1.244
205 HD1 TRP 29 HD1 TRP 29 -6.734 -8.120 -0.474
206 HE1 TRP 29 HE1 TRP 29 -8.240 -8.426 -2.549
207 HE3 TRP 29 HE3 TRP 29 -3.512 -10.782 -3.395
208 HZ2 TRP 29 HZ2 TRP 29 -8.065 -9.656 -5.088
209 HZ3 TRP 29 HZ3 TRP 29 -4.254 -11.495 -5.630
210 HH2 TRP 29 HH2 TRP 29 -6.481 -10.943 -6.457
211 H ARG 30 H ARG 30 -6.628 -11.394 0.682
212 HA ARG 30 HA ARG 30 -5.757 -13.727 -0.900
213 1HB ARG 30 2HB ARG 30 -5.916 -14.340 1.460
214 2HB ARG 30 1HB ARG 30 -7.564 -13.730 1.524
215 1HG ARG 30 2HG ARG 30 -7.664 -16.100 1.367
216 2HG ARG 30 1HG ARG 30 -8.187 -15.437 -0.182
217 1HD ARG 30 2HD ARG 30 -6.603 -16.580 -1.236
218 2HD ARG 30 1HD ARG 30 -5.359 -15.817 -0.246
219 HE ARG 30 HE ARG 30 -5.156 -17.788 0.867
220 1HH1 ARG 30 1HH1 ARG 30 -8.355 -17.665 -0.522
221 2HH1 ARG 30 2HH1 ARG 30 -8.782 -19.257 0.006
222 1HH2 ARG 30 1HH2 ARG 30 -5.715 -19.884 1.562
223 2HH2 ARG 30 2HH2 ARG 30 -7.284 -20.518 1.189
224 H SER 31 H SER 31 -6.855 -13.864 -2.740
225 HA SER 31 HA SER 31 -8.918 -12.306 -3.601
226 1HB SER 31 2HB SER 31 -7.750 -13.756 -5.134
227 2HB SER 31 1HB SER 31 -8.362 -15.193 -4.313
228 HG SER 31 HG SER 31 -9.446 -14.118 -6.350
229 H THR 32 H THR 32 -11.217 -12.716 -3.933
230 HA THR 32 HA THR 32 -12.545 -13.466 -1.566
231 HB THR 32 HB THR 32 -14.257 -13.518 -3.906
232 HG1 THR 32 HG1 THR 32 -12.629 -11.218 -3.606
233 1HG2 THR 32 1HG2 THR 32 -14.976 -12.893 -1.628
234 2HG2 THR 32 2HG2 THR 32 -15.375 -11.685 -2.849
235 3HG2 THR 32 3HG2 THR 32 -14.009 -11.427 -1.764
236 H ASP 33 H ASP 33 -11.952 -14.996 -4.631
237 HA ASP 33 HA ASP 33 -13.426 -17.347 -3.935
238 1HB ASP 33 2HB ASP 33 -11.756 -16.680 -6.353
239 2HB ASP 33 1HB ASP 33 -12.631 -18.195 -6.154
240 H GLY 34 H GLY 34 -10.188 -16.218 -3.768
241 1HA GLY 34 2HA GLY 34 -8.503 -17.201 -2.458
242 2HA GLY 34 1HA GLY 34 -9.384 -18.720 -2.500
243 H ASP 35 H ASP 35 -8.658 -16.834 -5.365
244 HA ASP 35 HA ASP 35 -7.031 -19.066 -6.335
245 1HB ASP 35 2HB ASP 35 -8.389 -16.800 -7.802
246 2HB ASP 35 1HB ASP 35 -7.369 -18.006 -8.581
247 H LYS 36 H LYS 36 -6.768 -15.809 -5.296
248 HA LYS 36 HA LYS 36 -3.949 -15.792 -6.134
249 1HB LYS 36 2HB LYS 36 -5.611 -13.283 -6.046
250 2HB LYS 36 1HB LYS 36 -4.031 -13.519 -6.779
251 1HG LYS 36 2HG LYS 36 -5.658 -15.327 -8.101
252 2HG LYS 36 1HG LYS 36 -6.673 -13.899 -7.899
253 1HD LYS 36 2HD LYS 36 -3.915 -13.970 -9.126
254 2HD LYS 36 1HD LYS 36 -5.441 -13.797 -9.998
255 1HE LYS 36 2HE LYS 36 -5.104 -11.596 -9.820
256 2HE LYS 36 1HE LYS 36 -5.582 -11.787 -8.134
257 1HZ LYS 36 1HZ LYS 36 -2.775 -12.194 -8.920
258 2HZ LYS 36 2HZ LYS 36 -3.407 -11.733 -7.421
259 3HZ LYS 36 3HZ LYS 36 -3.366 -10.625 -8.697
260 H VAL 37 H VAL 37 -2.492 -15.002 -4.658
261 HA VAL 37 HA VAL 37 -3.530 -13.859 -2.170
262 HB VAL 37 HB VAL 37 -3.259 -16.292 -1.801
263 1HG1 VAL 37 1HG1 VAL 37 -0.338 -15.761 -2.334
264 2HG1 VAL 37 2HG1 VAL 37 -1.425 -16.692 -3.366
265 3HG1 VAL 37 3HG1 VAL 37 -1.027 -17.276 -1.750
266 1HG2 VAL 37 1HG2 VAL 37 -1.506 -14.362 -0.316
267 2HG2 VAL 37 2HG2 VAL 37 -1.669 -16.044 0.186
268 3HG2 VAL 37 3HG2 VAL 37 -3.088 -14.996 0.141
269 H HIS 38 H HIS 38 -2.298 -12.271 -1.333
270 HA HIS 38 HA HIS 38 0.448 -11.946 -2.325
271 1HB HIS 38 2HB HIS 38 -1.144 -10.480 -3.609
272 2HB HIS 38 1HB HIS 38 -1.486 -9.647 -2.098
273 HD1 HIS 38 HD1 HIS 38 1.539 -10.447 -4.260
274 HD2 HIS 38 HD2 HIS 38 0.147 -7.542 -1.635
275 HE1 HIS 38 HE1 HIS 38 3.274 -8.625 -4.290
276 HE2 HIS 38 HE2 HIS 38 2.451 -6.918 -2.630
277 H THR 39 H THR 39 1.871 -10.934 -0.946
278 HA THR 39 HA THR 39 0.869 -10.350 1.763
279 HB THR 39 HB THR 39 3.461 -11.757 1.095
280 HG1 THR 39 HG1 THR 39 1.863 -13.224 0.809
281 1HG2 THR 39 1HG2 THR 39 2.187 -11.047 3.717
282 2HG2 THR 39 2HG2 THR 39 3.793 -10.616 3.129
283 3HG2 THR 39 3HG2 THR 39 3.427 -12.289 3.548
284 H VAL 40 H VAL 40 1.739 -8.596 2.804
285 HA VAL 40 HA VAL 40 3.903 -7.138 1.448
286 HB VAL 40 HB VAL 40 1.359 -5.877 2.477
287 1HG1 VAL 40 1HG1 VAL 40 2.724 -3.927 1.129
288 2HG1 VAL 40 2HG1 VAL 40 4.027 -4.792 1.948
289 3HG1 VAL 40 3HG1 VAL 40 2.690 -4.116 2.884
290 1HG2 VAL 40 1HG2 VAL 40 1.124 -5.129 0.105
291 2HG2 VAL 40 2HG2 VAL 40 0.961 -6.870 0.340
292 3HG2 VAL 40 3HG2 VAL 40 2.460 -6.204 -0.309
293 H VAL 41 H VAL 41 5.316 -6.087 2.744
294 HA VAL 41 HA VAL 41 5.200 -6.686 5.587
295 HB VAL 41 HB VAL 41 7.346 -7.045 4.671
296 1HG1 VAL 41 1HG1 VAL 41 7.299 -6.028 2.589
297 2HG1 VAL 41 2HG1 VAL 41 8.548 -5.141 3.461
298 3HG1 VAL 41 3HG1 VAL 41 6.939 -4.440 3.266
299 1HG2 VAL 41 1HG2 VAL 41 7.281 -4.423 6.139
300 2HG2 VAL 41 2HG2 VAL 41 8.784 -5.228 5.697
301 3HG2 VAL 41 3HG2 VAL 41 7.642 -6.028 6.776
302 H LEU 42 H LEU 42 4.234 -5.322 6.942
303 HA LEU 42 HA LEU 42 3.405 -2.726 6.114
304 1HB LEU 42 2HB LEU 42 3.331 -3.920 8.881
305 2HB LEU 42 1HB LEU 42 2.406 -2.543 8.316
306 HG LEU 42 HG LEU 42 2.085 -5.414 7.451
307 1HD1 LEU 42 1HD1 LEU 42 -0.161 -3.831 8.509
308 2HD1 LEU 42 2HD1 LEU 42 1.106 -4.244 9.665
309 3HD1 LEU 42 3HD1 LEU 42 0.269 -5.519 8.779
310 1HD2 LEU 42 1HD2 LEU 42 -0.019 -3.891 6.439
311 2HD2 LEU 42 2HD2 LEU 42 1.285 -4.648 5.526
312 3HD2 LEU 42 3HD2 LEU 42 1.437 -2.974 6.059
313 H SER 43 H SER 43 6.072 -3.929 8.026
314 HA SER 43 HA SER 43 6.770 -1.651 9.440
315 1HB SER 43 2HB SER 43 8.944 -2.614 9.701
316 2HB SER 43 1HB SER 43 7.783 -3.939 9.674
317 HG SER 43 HG SER 43 8.849 -4.696 8.044
318 H THR 44 H THR 44 7.029 -2.233 6.060
319 HA THR 44 HA THR 44 8.972 -0.098 5.686
320 HB THR 44 HB THR 44 9.373 -0.944 3.623
321 HG1 THR 44 HG1 THR 44 6.618 -1.574 3.398
322 1HG2 THR 44 1HG2 THR 44 9.035 -3.297 3.387
323 2HG2 THR 44 2HG2 THR 44 7.758 -3.275 4.603
324 3HG2 THR 44 3HG2 THR 44 9.425 -2.940 5.070
325 H ILE 45 H ILE 45 5.568 -0.589 5.554
326 HA ILE 45 HA ILE 45 4.804 1.429 3.798
327 HB ILE 45 HB ILE 45 3.324 0.600 6.296
328 1HG1 ILE 45 2HG1 ILE 45 3.861 -1.359 4.970
329 2HG1 ILE 45 1HG1 ILE 45 2.150 -0.990 4.789
330 1HG2 ILE 45 1HG2 ILE 45 2.576 2.691 5.112
331 2HG2 ILE 45 2HG2 ILE 45 1.360 1.422 5.246
332 3HG2 ILE 45 3HG2 ILE 45 2.203 1.677 3.719
333 1HD1 ILE 45 1HD1 ILE 45 3.488 0.376 2.731
334 2HD1 ILE 45 2HD1 ILE 45 2.425 -1.025 2.598
335 3HD1 ILE 45 3HD1 ILE 45 4.164 -1.253 2.789
336 H ASP 46 H ASP 46 6.042 3.264 4.028
337 HA ASP 46 HA ASP 46 6.288 4.606 6.559
338 1HB ASP 46 2HB ASP 46 7.903 4.563 4.459
339 2HB ASP 46 1HB ASP 46 6.949 5.966 3.987
340 H LYS 47 H LYS 47 4.155 4.791 3.814
341 HA LYS 47 HA LYS 47 2.717 6.963 5.165
342 1HB LYS 47 2HB LYS 47 3.699 6.916 2.345
343 2HB LYS 47 1HB LYS 47 2.233 7.800 2.732
344 1HG LYS 47 2HG LYS 47 3.689 8.902 4.568
345 2HG LYS 47 1HG LYS 47 5.042 8.289 3.614
346 1HD LYS 47 2HD LYS 47 2.827 9.990 2.479
347 2HD LYS 47 1HD LYS 47 4.354 10.641 3.076
348 1HE LYS 47 2HE LYS 47 5.553 9.809 1.325
349 2HE LYS 47 1HE LYS 47 4.479 8.428 1.104
350 1HZ LYS 47 1HZ LYS 47 2.920 9.753 -0.025
351 2HZ LYS 47 2HZ LYS 47 4.420 10.177 -0.682
352 3HZ LYS 47 3HZ LYS 47 3.669 11.197 0.438
353 H LEU 48 H LEU 48 0.500 7.114 4.712
354 HA LEU 48 HA LEU 48 -0.686 4.668 3.571
355 1HB LEU 48 2HB LEU 48 -1.455 6.359 5.926
356 2HB LEU 48 1HB LEU 48 -2.669 5.412 5.092
357 HG LEU 48 HG LEU 48 -0.167 4.165 6.202
358 1HD1 LEU 48 1HD1 LEU 48 -0.928 4.708 8.238
359 2HD1 LEU 48 2HD1 LEU 48 -2.168 3.492 7.939
360 3HD1 LEU 48 3HD1 LEU 48 -2.507 5.190 7.621
361 1HD2 LEU 48 1HD2 LEU 48 -2.683 2.675 6.097
362 2HD2 LEU 48 2HD2 LEU 48 -1.061 2.204 5.589
363 3HD2 LEU 48 3HD2 LEU 48 -2.074 3.174 4.519
364 H GLN 49 H GLN 49 -1.901 4.983 1.784
365 HA GLN 49 HA GLN 49 -3.010 7.680 1.354
366 1HB GLN 49 2HB GLN 49 -1.537 5.864 -0.494
367 2HB GLN 49 1HB GLN 49 -2.821 6.863 -1.163
368 1HG GLN 49 2HG GLN 49 -0.651 7.932 -1.390
369 2HG GLN 49 1HG GLN 49 -1.719 8.864 -0.343
370 1HE2 GLN 49 1HE2 GLN 49 0.016 9.905 0.637
371 2HE2 GLN 49 2HE2 GLN 49 1.048 9.106 1.768
372 H ALA 50 H ALA 50 -5.127 7.808 1.003
373 HA ALA 50 HA ALA 50 -6.590 5.478 0.026
374 1HB ALA 50 1HB ALA 50 -7.656 6.903 2.432
375 2HB ALA 50 2HB ALA 50 -6.501 5.582 2.612
376 3HB ALA 50 3HB ALA 50 -8.049 5.297 1.818
377 H THR 51 H THR 51 -8.459 5.969 -1.071
378 HA THR 51 HA THR 51 -8.679 8.658 -2.040
379 HB THR 51 HB THR 51 -10.498 7.791 -3.434
380 HG1 THR 51 HG1 THR 51 -11.609 6.321 -2.380
381 1HG2 THR 51 1HG2 THR 51 -8.069 6.042 -3.263
382 2HG2 THR 51 2HG2 THR 51 -8.415 7.337 -4.408
383 3HG2 THR 51 3HG2 THR 51 -9.316 5.822 -4.492
384 HA PRO 52 HA PRO 52 -11.394 10.060 1.225
385 1HB PRO 52 2HB PRO 52 -12.235 12.344 -0.066
386 2HB PRO 52 1HB PRO 52 -10.732 12.210 0.851
387 1HG PRO 52 2HG PRO 52 -11.179 12.014 -2.100
388 2HG PRO 52 1HG PRO 52 -9.871 12.822 -1.215
389 1HD PRO 52 2HD PRO 52 -9.511 10.432 -2.377
390 2HD PRO 52 1HD PRO 52 -8.735 10.839 -0.831
391 H ALA 53 H ALA 53 -13.619 10.292 1.614
392 HA ALA 53 HA ALA 53 -15.315 8.689 0.058
393 1HB ALA 53 1HB ALA 53 -17.035 9.261 1.568
394 2HB ALA 53 2HB ALA 53 -16.265 10.792 1.986
395 3HB ALA 53 3HB ALA 53 -15.546 9.271 2.514
396 H SER 54 H SER 54 -14.964 12.210 0.253
397 HA SER 54 HA SER 54 -17.113 12.925 -1.374
398 1HB SER 54 2HB SER 54 -15.776 14.520 -0.006
399 2HB SER 54 1HB SER 54 -14.455 14.355 -1.162
400 HG SER 54 HG SER 54 -17.057 15.161 -1.925
401 H SER 55 H SER 55 -14.009 11.635 -2.161
402 HA SER 55 HA SER 55 -14.123 12.311 -4.944
403 1HB SER 55 2HB SER 55 -11.944 12.128 -3.932
404 2HB SER 55 1HB SER 55 -12.294 10.492 -3.374
405 HG SER 55 HG SER 55 -11.643 11.410 -5.925
406 H GLU 56 H GLU 56 -15.323 11.298 -6.382
407 HA GLU 56 HA GLU 56 -16.863 9.033 -5.890
408 1HB GLU 56 2HB GLU 56 -17.245 10.662 -7.733
409 2HB GLU 56 1HB GLU 56 -15.856 9.988 -8.576
410 1HG GLU 56 2HG GLU 56 -17.005 7.801 -8.633
411 2HG GLU 56 1HG GLU 56 -18.414 8.557 -7.892
412 H LYS 57 H LYS 57 -13.531 9.316 -6.590
413 HA LYS 57 HA LYS 57 -13.220 6.660 -7.680
414 1HB LYS 57 2HB LYS 57 -11.157 8.636 -6.688
415 2HB LYS 57 1HB LYS 57 -10.805 7.144 -7.549
416 1HG LYS 57 2HG LYS 57 -12.600 8.424 -9.203
417 2HG LYS 57 1HG LYS 57 -11.607 9.738 -8.569
418 1HD LYS 57 2HD LYS 57 -9.702 7.906 -9.146
419 2HD LYS 57 1HD LYS 57 -10.899 7.530 -10.387
420 1HE LYS 57 2HE LYS 57 -10.321 10.392 -9.994
421 2HE LYS 57 1HE LYS 57 -8.994 9.429 -10.641
422 1HZ LYS 57 1HZ LYS 57 -10.920 10.507 -12.138
423 2HZ LYS 57 2HZ LYS 57 -11.578 8.972 -11.874
424 3HZ LYS 57 3HZ LYS 57 -10.050 9.126 -12.584
425 H MET 58 H MET 58 -12.980 4.844 -6.571
426 HA MET 58 HA MET 58 -12.491 5.015 -3.672
427 1HB MET 58 2HB MET 58 -13.687 2.708 -5.210
428 2HB MET 58 1HB MET 58 -13.633 2.908 -3.464
429 1HG MET 58 2HG MET 58 -15.033 5.002 -3.827
430 2HG MET 58 1HG MET 58 -15.291 4.403 -5.464
431 1HE MET 58 1HE MET 58 -15.146 1.695 -2.369
432 2HE MET 58 2HE MET 58 -16.573 2.362 -1.578
433 3HE MET 58 3HE MET 58 -15.155 3.380 -1.850
434 H MET 59 H MET 59 -10.486 4.476 -3.048
435 HA MET 59 HA MET 59 -9.237 2.070 -3.817
436 1HB MET 59 2HB MET 59 -8.975 3.895 -5.797
437 2HB MET 59 1HB MET 59 -7.547 4.264 -4.841
438 1HG MET 59 2HG MET 59 -7.341 1.591 -4.956
439 2HG MET 59 1HG MET 59 -8.179 1.899 -6.475
440 1HE MET 59 1HE MET 59 -7.128 4.053 -8.158
441 2HE MET 59 2HE MET 59 -5.607 4.822 -7.706
442 3HE MET 59 3HE MET 59 -7.013 4.960 -6.650
443 H LEU 60 H LEU 60 -6.940 1.953 -3.060
444 HA LEU 60 HA LEU 60 -6.112 3.890 -1.074
445 1HB LEU 60 2HB LEU 60 -7.637 2.543 0.236
446 2HB LEU 60 1HB LEU 60 -6.888 1.067 -0.337
447 HG LEU 60 HG LEU 60 -4.764 2.364 0.815
448 1HD1 LEU 60 1HD1 LEU 60 -6.263 2.676 3.145
449 2HD1 LEU 60 2HD1 LEU 60 -7.171 3.523 1.893
450 3HD1 LEU 60 3HD1 LEU 60 -5.486 3.942 2.197
451 1HD2 LEU 60 1HD2 LEU 60 -6.691 0.329 1.906
452 2HD2 LEU 60 2HD2 LEU 60 -5.203 0.783 2.739
453 3HD2 LEU 60 3HD2 LEU 60 -5.128 0.054 1.135
454 H ARG 61 H ARG 61 -3.894 3.859 -0.784
455 HA ARG 61 HA ARG 61 -2.424 1.551 -1.836
456 1HB ARG 61 2HB ARG 61 -0.812 3.311 -2.880
457 2HB ARG 61 1HB ARG 61 -2.261 2.829 -3.747
458 1HG ARG 61 2HG ARG 61 -3.056 4.899 -3.742
459 2HG ARG 61 1HG ARG 61 -2.777 5.076 -2.009
460 1HD ARG 61 2HD ARG 61 -0.730 6.043 -2.299
461 2HD ARG 61 1HD ARG 61 -0.410 5.169 -3.797
462 HE ARG 61 HE ARG 61 -2.419 6.859 -4.468
463 1HH1 ARG 61 1HH1 ARG 61 0.694 7.312 -2.956
464 2HH1 ARG 61 2HH1 ARG 61 0.908 8.909 -3.589
465 1HH2 ARG 61 1HH2 ARG 61 -2.138 8.960 -5.303
466 2HH2 ARG 61 2HH2 ARG 61 -0.698 9.846 -4.921
467 H LEU 62 H LEU 62 -0.362 1.245 -1.019
468 HA LEU 62 HA LEU 62 0.246 2.793 1.412
469 1HB LEU 62 2HB LEU 62 0.937 -0.043 0.645
470 2HB LEU 62 1HB LEU 62 1.583 0.764 2.055
471 HG LEU 62 HG LEU 62 -0.305 0.464 3.264
472 1HD1 LEU 62 1HD1 LEU 62 -2.575 0.567 2.428
473 2HD1 LEU 62 2HD1 LEU 62 -1.985 0.622 0.767
474 3HD1 LEU 62 3HD1 LEU 62 -1.656 1.964 1.865
475 1HD2 LEU 62 1HD2 LEU 62 -0.207 -1.629 1.175
476 2HD2 LEU 62 2HD2 LEU 62 -1.646 -1.572 2.192
477 3HD2 LEU 62 3HD2 LEU 62 -0.053 -1.761 2.927
478 H ILE 63 H ILE 63 2.338 3.553 1.763
479 HA ILE 63 HA ILE 63 4.061 3.541 -0.624
480 HB ILE 63 HB ILE 63 4.571 5.411 1.641
481 1HG1 ILE 63 2HG1 ILE 63 2.169 5.653 1.321
482 2HG1 ILE 63 1HG1 ILE 63 3.003 7.059 0.665
483 1HG2 ILE 63 1HG2 ILE 63 6.159 5.464 -0.097
484 2HG2 ILE 63 2HG2 ILE 63 5.145 6.890 -0.326
485 3HG2 ILE 63 3HG2 ILE 63 4.911 5.468 -1.343
486 1HD1 ILE 63 1HD1 ILE 63 2.809 6.029 -1.580
487 2HD1 ILE 63 2HD1 ILE 63 1.278 6.461 -0.823
488 3HD1 ILE 63 3HD1 ILE 63 1.801 4.776 -0.857
489 H GLY 64 H GLY 64 5.848 2.360 -0.571
490 1HA GLY 64 2HA GLY 64 6.759 1.227 1.944
491 2HA GLY 64 1HA GLY 64 7.357 0.825 0.339
492 H LYS 65 H LYS 65 8.464 1.865 3.097
493 HA LYS 65 HA LYS 65 9.683 4.298 2.883
494 1HB LYS 65 2HB LYS 65 10.536 1.725 4.147
495 2HB LYS 65 1HB LYS 65 11.653 3.081 4.127
496 1HG LYS 65 2HG LYS 65 9.967 4.462 5.267
497 2HG LYS 65 1HG LYS 65 8.894 3.063 5.331
498 1HD LYS 65 2HD LYS 65 10.619 1.850 6.627
499 2HD LYS 65 1HD LYS 65 11.606 3.312 6.628
500 1HE LYS 65 2HE LYS 65 9.282 4.308 7.558
501 2HE LYS 65 1HE LYS 65 9.177 2.657 8.170
502 1HZ LYS 65 1HZ LYS 65 11.033 4.793 8.886
503 2HZ LYS 65 2HZ LYS 65 11.646 3.216 8.876
504 3HZ LYS 65 3HZ LYS 65 10.324 3.602 9.858
505 H VAL 66 H VAL 66 11.708 5.053 2.144
506 HA VAL 66 HA VAL 66 12.859 3.444 -0.040
507 HB VAL 66 HB VAL 66 11.596 5.682 -0.532
508 1HG1 VAL 66 1HG1 VAL 66 13.219 6.820 1.191
509 2HG1 VAL 66 2HG1 VAL 66 12.657 7.679 -0.245
510 3HG1 VAL 66 3HG1 VAL 66 14.262 6.946 -0.227
511 1HG2 VAL 66 1HG2 VAL 66 13.567 4.216 -1.847
512 2HG2 VAL 66 2HG2 VAL 66 14.030 5.907 -2.040
513 3HG2 VAL 66 3HG2 VAL 66 12.434 5.364 -2.559
514 H ASP 67 H ASP 67 15.046 5.131 -0.532
515 HA ASP 67 HA ASP 67 16.575 5.601 1.821
516 1HB ASP 67 2HB ASP 67 16.892 3.011 0.367
517 2HB ASP 67 1HB ASP 67 18.338 3.803 0.986
518 H GLU 68 H GLU 68 16.182 7.436 0.094
519 HA GLU 68 HA GLU 68 17.656 7.538 -2.261
520 1HB GLU 68 2HB GLU 68 17.021 9.849 -0.422
521 2HB GLU 68 1HB GLU 68 17.426 9.961 -2.129
522 1HG GLU 68 2HG GLU 68 15.391 8.706 -2.678
523 2HG GLU 68 1HG GLU 68 14.980 8.652 -0.964
524 H SER 69 H SER 69 18.720 7.701 0.994
525 HA SER 69 HA SER 69 21.064 9.194 0.745
526 1HB SER 69 2HB SER 69 20.117 8.466 2.909
527 2HB SER 69 1HB SER 69 20.583 6.805 2.542
528 HG SER 69 HG SER 69 22.049 8.675 3.678
529 H LYS 70 H LYS 70 20.273 6.125 -0.540
530 HA LYS 70 HA LYS 70 22.861 4.982 -0.648
531 1HB LYS 70 2HB LYS 70 20.457 4.507 -2.421
532 2HB LYS 70 1HB LYS 70 21.894 3.494 -2.372
533 1HG LYS 70 2HG LYS 70 20.043 3.981 -0.047
534 2HG LYS 70 1HG LYS 70 20.021 2.557 -1.090
535 1HD LYS 70 2HD LYS 70 22.359 2.086 -0.427
536 2HD LYS 70 1HD LYS 70 22.293 3.458 0.680
537 1HE LYS 70 2HE LYS 70 20.403 2.372 1.848
538 2HE LYS 70 1HE LYS 70 20.582 0.977 0.783
539 1HZ LYS 70 1HZ LYS 70 22.847 1.953 2.407
540 2HZ LYS 70 2HZ LYS 70 22.614 0.422 1.728
541 3HZ LYS 70 3HZ LYS 70 21.694 0.903 3.064
542 H LYS 71 H LYS 71 20.949 6.737 -3.089
543 HA LYS 71 HA LYS 71 21.547 7.855 -4.976
544 1HB LYS 71 2HB LYS 71 24.196 8.156 -3.551
545 2HB LYS 71 1HB LYS 71 23.640 9.120 -4.914
546 1HG LYS 71 2HG LYS 71 21.604 9.412 -3.098
547 2HG LYS 71 1HG LYS 71 23.042 9.368 -2.076
548 1HD LYS 71 2HD LYS 71 24.053 11.139 -3.444
549 2HD LYS 71 1HD LYS 71 22.599 11.190 -4.441
550 1HE LYS 71 2HE LYS 71 21.563 11.472 -1.934
551 2HE LYS 71 1HE LYS 71 23.107 12.310 -1.778
552 1HZ LYS 71 1HZ LYS 71 22.541 13.754 -3.557
553 2HZ LYS 71 2HZ LYS 71 21.217 13.731 -2.505
554 3HZ LYS 71 3HZ LYS 71 21.162 12.855 -3.950
555 H ARG 72 H ARG 72 21.421 6.052 -6.341
556 HA ARG 72 HA ARG 72 23.911 4.620 -6.896
557 1HB ARG 72 2HB ARG 72 22.645 2.901 -7.793
558 2HB ARG 72 1HB ARG 72 21.597 3.501 -6.517
559 1HG ARG 72 2HG ARG 72 20.080 3.349 -8.196
560 2HG ARG 72 1HG ARG 72 20.660 4.988 -8.500
561 1HD ARG 72 2HD ARG 72 22.438 3.720 -9.966
562 2HD ARG 72 1HD ARG 72 21.195 2.470 -9.996
563 HE ARG 72 HE ARG 72 21.129 5.019 -11.331
564 1HH1 ARG 72 1HH1 ARG 72 19.215 2.380 -10.083
565 2HH1 ARG 72 2HH1 ARG 72 17.872 2.694 -11.132
566 1HH2 ARG 72 1HH2 ARG 72 19.363 5.434 -12.710
567 2HH2 ARG 72 2HH2 ARG 72 17.956 4.426 -12.622
568 H LYS 73 H LYS 73 25.027 4.815 -8.755
569 HA LYS 73 HA LYS 73 24.474 7.064 -10.435
570 1HB LYS 73 2HB LYS 73 26.557 4.890 -10.708
571 2HB LYS 73 1HB LYS 73 26.512 6.379 -11.643
572 1HG LYS 73 2HG LYS 73 26.483 6.719 -8.721
573 2HG LYS 73 1HG LYS 73 27.964 6.041 -9.401
574 1HD LYS 73 2HD LYS 73 27.763 7.993 -11.107
575 2HD LYS 73 1HD LYS 73 26.697 8.708 -9.896
576 1HE LYS 73 2HE LYS 73 29.552 7.834 -9.469
577 2HE LYS 73 1HE LYS 73 28.983 9.496 -9.614
578 1HZ LYS 73 1HZ LYS 73 29.287 8.163 -7.292
579 2HZ LYS 73 2HZ LYS 73 27.631 7.968 -7.578
580 3HZ LYS 73 3HZ LYS 73 28.300 9.521 -7.502
581 H ASP 74 H ASP 74 23.907 7.113 -12.586
582 HA ASP 74 HA ASP 74 22.471 4.754 -13.536
583 1HB ASP 74 2HB ASP 74 21.584 7.239 -13.449
584 2HB ASP 74 1HB ASP 74 22.438 7.371 -14.984
585 H ASN 75 H ASN 75 22.498 4.574 -16.050
586 HA ASN 75 HA ASN 75 25.045 3.723 -16.819
587 1HB ASN 75 2HB ASN 75 22.799 2.996 -17.771
588 2HB ASN 75 1HB ASN 75 22.846 4.461 -18.745
589 1HD2 ASN 75 1HD2 ASN 75 23.618 4.210 -20.701
590 2HD2 ASN 75 2HD2 ASN 75 24.754 3.010 -21.206
591 H GLU 76 H GLU 76 23.652 6.853 -16.881
592 HA GLU 76 HA GLU 76 25.454 7.859 -18.921
593 1HB GLU 76 2HB GLU 76 23.409 9.245 -17.182
594 2HB GLU 76 1HB GLU 76 24.374 10.053 -18.409
595 1HG GLU 76 2HG GLU 76 22.369 9.652 -19.487
596 2HG GLU 76 1HG GLU 76 23.389 8.319 -20.028
597 H GLY 77 H GLY 77 26.049 6.925 -15.919
598 1HA GLY 77 2HA GLY 77 27.823 7.361 -14.518
599 2HA GLY 77 1HA GLY 77 28.344 8.603 -15.645
600 H ASN 78 H ASN 78 25.106 8.837 -14.515
601 HA ASN 78 HA ASN 78 25.928 10.998 -12.684
602 1HB ASN 78 2HB ASN 78 23.392 10.782 -14.320
603 2HB ASN 78 1HB ASN 78 23.782 12.089 -13.205
604 1HD2 ASN 78 1HD2 ASN 78 23.925 11.042 -16.365
605 2HD2 ASN 78 2HD2 ASN 78 25.050 12.202 -16.978
606 H GLU 79 H GLU 79 24.888 11.205 -10.711
607 HA GLU 79 HA GLU 79 23.847 8.768 -9.614
608 1HB GLU 79 2HB GLU 79 24.160 11.525 -8.414
609 2HB GLU 79 1HB GLU 79 23.648 10.102 -7.513
610 1HG GLU 79 2HG GLU 79 25.797 9.020 -8.092
611 2HG GLU 79 1HG GLU 79 26.304 10.521 -8.866
612 H VAL 80 H VAL 80 21.795 8.374 -8.801
613 HA VAL 80 HA VAL 80 19.709 10.321 -9.492
614 HB VAL 80 HB VAL 80 18.369 8.815 -10.622
615 1HG1 VAL 80 1HG1 VAL 80 19.593 8.230 -12.440
616 2HG1 VAL 80 2HG1 VAL 80 20.848 7.444 -11.482
617 3HG1 VAL 80 3HG1 VAL 80 20.811 9.201 -11.611
618 1HG2 VAL 80 1HG2 VAL 80 18.997 6.277 -10.593
619 2HG2 VAL 80 2HG2 VAL 80 18.095 6.974 -9.244
620 3HG2 VAL 80 3HG2 VAL 80 19.834 6.698 -9.099
621 H VAL 81 H VAL 81 17.684 9.988 -8.357
622 HA VAL 81 HA VAL 81 18.132 8.826 -5.695
623 HB VAL 81 HB VAL 81 15.920 10.723 -6.488
624 1HG1 VAL 81 1HG1 VAL 81 16.814 9.436 -3.988
625 2HG1 VAL 81 2HG1 VAL 81 15.205 9.960 -4.486
626 3HG1 VAL 81 3HG1 VAL 81 16.364 11.137 -3.868
627 1HG2 VAL 81 1HG2 VAL 81 17.589 12.258 -5.026
628 2HG2 VAL 81 2HG2 VAL 81 17.592 12.210 -6.789
629 3HG2 VAL 81 3HG2 VAL 81 18.756 11.248 -5.879
630 HA PRO 82 HA PRO 82 15.649 5.461 -7.530
631 1HB PRO 82 2HB PRO 82 15.860 4.693 -4.645
632 2HB PRO 82 1HB PRO 82 16.040 3.691 -6.089
633 1HG PRO 82 2HG PRO 82 18.175 4.528 -4.728
634 2HG PRO 82 1HG PRO 82 18.193 4.429 -6.498
635 1HD PRO 82 2HD PRO 82 18.052 6.815 -4.738
636 2HD PRO 82 1HD PRO 82 18.733 6.648 -6.366
637 H LYS 83 H LYS 83 13.475 5.029 -7.481
638 HA LYS 83 HA LYS 83 11.827 6.878 -5.987
639 1HB LYS 83 2HB LYS 83 11.079 4.725 -7.975
640 2HB LYS 83 1HB LYS 83 9.961 5.893 -7.286
641 1HG LYS 83 2HG LYS 83 10.405 7.025 -9.174
642 2HG LYS 83 1HG LYS 83 11.825 7.560 -8.271
643 1HD LYS 83 2HD LYS 83 13.245 6.362 -9.548
644 2HD LYS 83 1HD LYS 83 12.133 4.997 -9.679
645 1HE LYS 83 2HE LYS 83 11.039 5.892 -11.504
646 2HE LYS 83 1HE LYS 83 11.517 7.543 -11.111
647 1HZ LYS 83 1HZ LYS 83 12.996 5.473 -12.546
648 2HZ LYS 83 2HZ LYS 83 13.889 6.536 -11.580
649 3HZ LYS 83 3HZ LYS 83 12.919 7.140 -12.828
650 HA PRO 84 HA PRO 84 10.837 4.167 -2.679
651 1HB PRO 84 2HB PRO 84 8.359 5.686 -2.356
652 2HB PRO 84 1HB PRO 84 9.760 5.581 -1.284
653 1HG PRO 84 2HG PRO 84 9.251 7.808 -2.641
654 2HG PRO 84 1HG PRO 84 10.914 7.253 -2.420
655 1HD PRO 84 2HD PRO 84 9.118 6.893 -4.798
656 2HD PRO 84 1HD PRO 84 10.792 7.493 -4.736
657 H GLN 85 H GLN 85 9.448 2.481 -2.073
658 HA GLN 85 HA GLN 85 8.014 1.238 -4.178
659 1HB GLN 85 2HB GLN 85 8.817 0.591 -1.468
660 2HB GLN 85 1HB GLN 85 7.181 0.035 -1.793
661 1HG GLN 85 2HG GLN 85 7.914 -1.269 -3.649
662 2HG GLN 85 1HG GLN 85 9.535 -0.577 -3.561
663 1HE2 GLN 85 1HE2 GLN 85 9.188 -3.280 -3.565
664 2HE2 GLN 85 2HE2 GLN 85 9.587 -3.927 -2.014
665 H ARG 86 H ARG 86 5.791 0.877 -4.414
666 HA ARG 86 HA ARG 86 3.960 2.306 -2.656
667 1HB ARG 86 2HB ARG 86 4.334 2.936 -5.577
668 2HB ARG 86 1HB ARG 86 2.836 3.299 -4.732
669 1HG ARG 86 2HG ARG 86 4.096 4.696 -3.145
670 2HG ARG 86 1HG ARG 86 5.568 4.368 -4.060
671 1HD ARG 86 2HD ARG 86 4.631 6.522 -4.685
672 2HD ARG 86 1HD ARG 86 4.562 5.399 -6.041
673 HE ARG 86 HE ARG 86 2.323 6.502 -4.560
674 1HH1 ARG 86 1HH1 ARG 86 3.416 4.118 -6.870
675 2HH1 ARG 86 2HH1 ARG 86 1.838 3.863 -7.533
676 1HH2 ARG 86 1HH2 ARG 86 0.252 6.162 -5.437
677 2HH2 ARG 86 2HH2 ARG 86 0.043 5.020 -6.722
678 H HIS 87 H HIS 87 2.357 0.966 -2.201
679 HA HIS 87 HA HIS 87 1.716 -1.192 -4.077
680 1HB HIS 87 2HB HIS 87 0.981 -0.821 -1.165
681 2HB HIS 87 1HB HIS 87 0.504 -2.197 -2.152
682 HD1 HIS 87 HD1 HIS 87 2.709 -3.507 -3.237
683 HD2 HIS 87 HD2 HIS 87 3.262 -1.256 0.211
684 HE1 HIS 87 HE1 HIS 87 4.849 -4.349 -2.221
685 HE2 HIS 87 HE2 HIS 87 5.119 -3.031 -0.091
686 H MET 88 H MET 88 -0.567 -1.735 -4.430
687 HA MET 88 HA MET 88 -2.368 0.565 -4.116
688 1HB MET 88 2HB MET 88 -1.478 0.639 -6.383
689 2HB MET 88 1HB MET 88 -1.960 -1.031 -6.649
690 1HG MET 88 2HG MET 88 -4.321 -0.340 -6.310
691 2HG MET 88 1HG MET 88 -3.770 1.333 -6.222
692 1HE MET 88 1HE MET 88 -5.919 0.444 -7.773
693 2HE MET 88 2HE MET 88 -5.718 -0.087 -9.443
694 3HE MET 88 3HE MET 88 -5.624 1.630 -9.046
695 H PHE 89 H PHE 89 -4.450 0.111 -3.670
696 HA PHE 89 HA PHE 89 -5.511 -2.565 -3.988
697 1HB PHE 89 2HB PHE 89 -5.248 -1.290 -1.255
698 2HB PHE 89 1HB PHE 89 -6.165 -2.752 -1.605
699 HD1 PHE 89 HD1 PHE 89 -2.866 -1.322 -1.096
700 HD2 PHE 89 HD2 PHE 89 -5.011 -4.828 -2.200
701 HE1 PHE 89 HE1 PHE 89 -0.840 -2.671 -0.733
702 HE2 PHE 89 HE2 PHE 89 -2.990 -6.184 -1.837
703 HZ PHE 89 HZ PHE 89 -0.901 -5.106 -1.103
704 H SER 90 H SER 90 -7.566 -2.388 -4.635
705 HA SER 90 HA SER 90 -8.912 0.181 -4.247
706 1HB SER 90 2HB SER 90 -8.913 -0.375 -6.531
707 2HB SER 90 1HB SER 90 -9.291 -2.066 -6.212
708 HG SER 90 HG SER 90 -11.026 0.145 -5.804
709 H PHE 91 H PHE 91 -10.693 0.425 -3.055
710 HA PHE 91 HA PHE 91 -11.944 -1.994 -1.923
711 1HB PHE 91 2HB PHE 91 -11.432 0.689 -0.629
712 2HB PHE 91 1HB PHE 91 -12.491 -0.535 0.063
713 HD1 PHE 91 HD1 PHE 91 -9.002 0.208 -0.886
714 HD2 PHE 91 HD2 PHE 91 -11.621 -2.370 1.258
715 HE1 PHE 91 HE1 PHE 91 -7.066 -0.829 0.225
716 HE2 PHE 91 HE2 PHE 91 -9.692 -3.413 2.370
717 HZ PHE 91 HZ PHE 91 -7.410 -2.642 1.854
718 H ASN 92 H ASN 92 -14.214 -1.890 -1.519
719 HA ASN 92 HA ASN 92 -15.577 0.089 -3.216
720 1HB ASN 92 2HB ASN 92 -16.661 -2.572 -2.304
721 2HB ASN 92 1HB ASN 92 -17.349 -1.493 -3.512
722 1HD2 ASN 92 1HD2 ASN 92 -16.794 -4.173 -3.998
723 2HD2 ASN 92 2HD2 ASN 92 -15.530 -4.273 -5.173
724 H ASN 93 H ASN 93 -14.997 -0.635 -0.013
725 HA ASN 93 HA ASN 93 -17.471 0.731 0.821
726 1HB ASN 93 2HB ASN 93 -15.910 -1.411 2.277
727 2HB ASN 93 1HB ASN 93 -17.213 -0.476 3.003
728 1HD2 ASN 93 1HD2 ASN 93 -17.354 -3.191 2.909
729 2HD2 ASN 93 2HD2 ASN 93 -18.583 -3.679 1.798
730 H ARG 94 H ARG 94 -16.941 2.769 1.254
731 HA ARG 94 HA ARG 94 -14.469 3.826 1.784
732 1HB ARG 94 2HB ARG 94 -15.896 5.598 3.149
733 2HB ARG 94 1HB ARG 94 -15.964 5.505 1.396
734 1HG ARG 94 2HG ARG 94 -17.892 3.818 2.852
735 2HG ARG 94 1HG ARG 94 -18.130 5.563 2.976
736 1HD ARG 94 2HD ARG 94 -17.554 4.541 0.275
737 2HD ARG 94 1HD ARG 94 -19.098 4.037 0.965
738 HE ARG 94 HE ARG 94 -18.611 6.853 1.209
739 1HH1 ARG 94 1HH1 ARG 94 -19.815 4.345 -0.896
740 2HH1 ARG 94 2HH1 ARG 94 -20.824 5.420 -1.806
741 1HH2 ARG 94 1HH2 ARG 94 -19.937 8.269 0.015
742 2HH2 ARG 94 2HH2 ARG 94 -20.893 7.648 -1.290
743 H THR 95 H THR 95 -16.594 2.177 3.963
744 HA THR 95 HA THR 95 -15.324 2.991 6.363
745 HB THR 95 HB THR 95 -16.811 0.496 6.370
746 HG1 THR 95 HG1 THR 95 -18.223 1.137 4.964
747 1HG2 THR 95 1HG2 THR 95 -17.392 3.117 7.684
748 2HG2 THR 95 2HG2 THR 95 -16.388 1.847 8.381
749 3HG2 THR 95 3HG2 THR 95 -18.102 1.553 8.083
750 H VAL 96 H VAL 96 -15.407 -0.096 4.577
751 HA VAL 96 HA VAL 96 -13.615 -1.511 6.144
752 HB VAL 96 HB VAL 96 -13.911 -1.726 3.142
753 1HG1 VAL 96 1HG1 VAL 96 -12.462 -3.307 5.168
754 2HG1 VAL 96 2HG1 VAL 96 -12.151 -3.109 3.444
755 3HG1 VAL 96 3HG1 VAL 96 -13.397 -4.229 3.991
756 1HG2 VAL 96 1HG2 VAL 96 -16.069 -1.926 4.206
757 2HG2 VAL 96 2HG2 VAL 96 -15.426 -3.081 5.373
758 3HG2 VAL 96 3HG2 VAL 96 -15.536 -3.517 3.667
759 H MET 97 H MET 97 -12.933 0.519 3.307
760 HA MET 97 HA MET 97 -10.151 0.131 3.282
761 1HB MET 97 2HB MET 97 -10.142 2.381 2.073
762 2HB MET 97 1HB MET 97 -11.083 1.089 1.343
763 1HG MET 97 2HG MET 97 -12.860 2.393 1.338
764 2HG MET 97 1HG MET 97 -12.800 2.466 3.098
765 1HE MET 97 1HE MET 97 -11.376 3.969 -0.190
766 2HE MET 97 2HE MET 97 -9.913 3.905 0.793
767 3HE MET 97 3HE MET 97 -10.617 5.463 0.357
768 H ASP 98 H ASP 98 -12.218 2.352 5.056
769 HA ASP 98 HA ASP 98 -10.179 4.028 6.051
770 1HB ASP 98 2HB ASP 98 -12.603 4.593 6.091
771 2HB ASP 98 1HB ASP 98 -12.836 3.375 7.340
772 H ASN 99 H ASN 99 -11.515 0.993 7.127
773 HA ASN 99 HA ASN 99 -10.298 0.937 9.681
774 1HB ASN 99 2HB ASN 99 -11.326 -1.245 7.866
775 2HB ASN 99 1HB ASN 99 -10.629 -1.586 9.448
776 1HD2 ASN 99 1HD2 ASN 99 -13.332 -0.327 7.719
777 2HD2 ASN 99 2HD2 ASN 99 -14.381 -0.128 9.078
778 H ILE 100 H ILE 100 -9.318 -0.243 6.501
779 HA ILE 100 HA ILE 100 -6.931 -1.510 7.284
780 HB ILE 100 HB ILE 100 -7.560 -0.182 4.641
781 1HG1 ILE 100 2HG1 ILE 100 -9.205 -1.919 5.383
782 2HG1 ILE 100 1HG1 ILE 100 -8.358 -2.326 3.894
783 1HG2 ILE 100 1HG2 ILE 100 -5.547 -2.334 5.280
784 2HG2 ILE 100 2HG2 ILE 100 -5.169 -0.639 4.970
785 3HG2 ILE 100 3HG2 ILE 100 -5.868 -1.635 3.692
786 1HD1 ILE 100 1HD1 ILE 100 -8.463 -4.292 5.195
787 2HD1 ILE 100 2HD1 ILE 100 -7.898 -3.446 6.641
788 3HD1 ILE 100 3HD1 ILE 100 -6.798 -3.711 5.287
789 H LYS 101 H LYS 101 -7.498 1.740 5.953
790 HA LYS 101 HA LYS 101 -4.827 2.600 6.179
791 1HB LYS 101 2HB LYS 101 -5.571 4.640 5.416
792 2HB LYS 101 1HB LYS 101 -6.893 3.610 4.887
793 1HG LYS 101 2HG LYS 101 -8.184 4.266 6.868
794 2HG LYS 101 1HG LYS 101 -6.864 5.329 7.360
795 1HD LYS 101 2HD LYS 101 -7.155 6.341 4.979
796 2HD LYS 101 1HD LYS 101 -8.748 5.585 5.051
797 1HE LYS 101 2HE LYS 101 -8.998 7.821 5.819
798 2HE LYS 101 1HE LYS 101 -9.108 6.769 7.231
799 1HZ LYS 101 1HZ LYS 101 -7.640 8.250 8.046
800 2HZ LYS 101 2HZ LYS 101 -7.072 8.722 6.525
801 3HZ LYS 101 3HZ LYS 101 -6.510 7.291 7.230
802 H MET 102 H MET 102 -7.432 2.410 8.434
803 HA MET 102 HA MET 102 -6.256 4.174 10.379
804 1HB MET 102 2HB MET 102 -8.663 2.414 10.272
805 2HB MET 102 1HB MET 102 -8.062 2.909 11.847
806 1HG MET 102 2HG MET 102 -8.173 5.283 11.014
807 2HG MET 102 1HG MET 102 -9.042 4.660 9.615
808 1HE MET 102 1HE MET 102 -10.753 2.863 9.961
809 2HE MET 102 2HE MET 102 -12.259 3.475 10.642
810 3HE MET 102 3HE MET 102 -11.267 2.349 11.568
811 H THR 103 H THR 103 -6.499 0.692 9.869
812 HA THR 103 HA THR 103 -5.170 0.023 12.315
813 HB THR 103 HB THR 103 -6.537 -1.353 10.203
814 HG1 THR 103 HG1 THR 103 -7.289 -2.031 12.027
815 1HG2 THR 103 1HG2 THR 103 -5.266 -3.426 10.211
816 2HG2 THR 103 2HG2 THR 103 -3.967 -2.609 11.084
817 3HG2 THR 103 3HG2 THR 103 -4.384 -2.102 9.447
818 H LEU 104 H LEU 104 -4.194 0.219 8.913
819 HA LEU 104 HA LEU 104 -1.584 -0.753 9.248
820 1HB LEU 104 2HB LEU 104 -3.071 0.706 7.183
821 2HB LEU 104 1HB LEU 104 -1.349 1.032 7.182
822 HG LEU 104 HG LEU 104 -2.424 -1.777 7.150
823 1HD1 LEU 104 1HD1 LEU 104 -1.626 -1.325 4.594
824 2HD1 LEU 104 2HD1 LEU 104 -2.390 0.212 4.996
825 3HD1 LEU 104 3HD1 LEU 104 -3.300 -1.291 5.145
826 1HD2 LEU 104 1HD2 LEU 104 0.202 -0.478 6.986
827 2HD2 LEU 104 2HD2 LEU 104 -0.078 -1.739 5.783
828 3HD2 LEU 104 3HD2 LEU 104 -0.231 -2.108 7.501
829 H GLN 105 H GLN 105 -2.965 2.433 9.711
830 HA GLN 105 HA GLN 105 -0.511 3.825 9.905
831 1HB GLN 105 2HB GLN 105 -1.947 5.528 9.791
832 2HB GLN 105 1HB GLN 105 -3.294 4.437 10.066
833 1HG GLN 105 2HG GLN 105 -3.141 4.742 12.426
834 2HG GLN 105 1HG GLN 105 -1.647 5.660 12.256
835 1HE2 GLN 105 1HE2 GLN 105 -4.544 5.916 10.271
836 2HE2 GLN 105 2HE2 GLN 105 -4.920 7.544 10.707
837 H GLN 106 H GLN 106 -2.322 1.884 12.104
838 HA GLN 106 HA GLN 106 -1.162 2.847 14.514
839 1HB GLN 106 2HB GLN 106 -2.512 0.233 13.828
840 2HB GLN 106 1HB GLN 106 -1.974 0.648 15.450
841 1HG GLN 106 2HG GLN 106 -3.478 2.542 15.500
842 2HG GLN 106 1HG GLN 106 -3.972 2.219 13.839
843 1HE2 GLN 106 1HE2 GLN 106 -5.800 2.394 15.889
844 2HE2 GLN 106 2HE2 GLN 106 -6.500 0.839 16.166
845 H ILE 107 H ILE 107 -0.206 0.523 12.097
846 HA ILE 107 HA ILE 107 1.840 -0.701 13.687
847 HB ILE 107 HB ILE 107 1.442 -0.758 10.690
848 1HG1 ILE 107 2HG1 ILE 107 0.856 -3.195 12.170
849 2HG1 ILE 107 1HG1 ILE 107 -0.151 -1.852 12.702
850 1HG2 ILE 107 1HG2 ILE 107 2.856 -2.773 10.764
851 2HG2 ILE 107 2HG2 ILE 107 3.146 -2.488 12.481
852 3HG2 ILE 107 3HG2 ILE 107 3.722 -1.327 11.285
853 1HD1 ILE 107 1HD1 ILE 107 -0.656 -3.489 10.576
854 2HD1 ILE 107 2HD1 ILE 107 0.045 -2.065 9.806
855 3HD1 ILE 107 3HD1 ILE 107 -1.372 -1.900 10.844
856 H ILE 108 H ILE 108 1.812 1.735 11.092
857 HA ILE 108 HA ILE 108 4.582 2.104 10.887
858 HB ILE 108 HB ILE 108 2.740 4.455 10.688
859 1HG1 ILE 108 2HG1 ILE 108 3.048 2.644 8.330
860 2HG1 ILE 108 1HG1 ILE 108 1.831 2.269 9.543
861 1HG2 ILE 108 1HG2 ILE 108 4.765 5.235 10.102
862 2HG2 ILE 108 2HG2 ILE 108 4.325 4.565 8.531
863 3HG2 ILE 108 3HG2 ILE 108 5.364 3.646 9.622
864 1HD1 ILE 108 1HD1 ILE 108 1.995 4.603 7.704
865 2HD1 ILE 108 2HD1 ILE 108 1.114 4.728 9.228
866 3HD1 ILE 108 3HD1 ILE 108 0.641 3.520 8.031
867 H SER 109 H SER 109 2.254 4.092 12.588
868 HA SER 109 HA SER 109 4.007 5.679 14.024
869 1HB SER 109 2HB SER 109 1.324 4.671 15.003
870 2HB SER 109 1HB SER 109 2.168 6.112 15.570
871 HG SER 109 HG SER 109 1.576 7.162 13.822
872 H ARG 110 H ARG 110 3.063 2.389 14.546
873 HA ARG 110 HA ARG 110 3.887 2.109 17.225
874 1HB ARG 110 2HB ARG 110 2.892 0.422 15.148
875 2HB ARG 110 1HB ARG 110 4.321 -0.336 15.833
876 1HG ARG 110 2HG ARG 110 3.286 -0.025 18.094
877 2HG ARG 110 1HG ARG 110 1.810 0.479 17.268
878 1HD ARG 110 2HD ARG 110 1.812 -1.687 16.056
879 2HD ARG 110 1HD ARG 110 3.203 -2.184 17.017
880 HE ARG 110 HE ARG 110 1.058 -1.364 18.685
881 1HH1 ARG 110 1HH1 ARG 110 2.133 -4.005 16.672
882 2HH1 ARG 110 2HH1 ARG 110 1.244 -5.202 17.551
883 1HH2 ARG 110 1HH2 ARG 110 -0.112 -2.937 19.842
884 2HH2 ARG 110 2HH2 ARG 110 -0.031 -4.596 19.351
885 H TYR 111 H TYR 111 5.566 1.926 14.176
886 HA TYR 111 HA TYR 111 8.056 1.148 15.486
887 1HB TYR 111 2HB TYR 111 7.294 1.500 12.586
888 2HB TYR 111 1HB TYR 111 8.943 1.172 13.109
889 HD1 TYR 111 HD1 TYR 111 5.750 -0.249 12.315
890 HD2 TYR 111 HD2 TYR 111 9.382 -0.968 14.412
891 HE1 TYR 111 HE1 TYR 111 5.254 -2.656 12.336
892 HE2 TYR 111 HE2 TYR 111 8.897 -3.379 14.434
893 HH TYR 111 HH TYR 111 7.142 -4.921 12.612
894 H LYS 112 H LYS 112 6.500 3.925 14.082
895 HA LYS 112 HA LYS 112 8.832 5.532 13.805
896 1HB LYS 112 2HB LYS 112 5.966 5.836 13.432
897 2HB LYS 112 1HB LYS 112 6.677 7.268 14.164
898 1HG LYS 112 2HG LYS 112 6.846 7.737 11.925
899 2HG LYS 112 1HG LYS 112 8.434 7.044 12.267
900 1HD LYS 112 2HD LYS 112 7.992 5.124 11.108
901 2HD LYS 112 1HD LYS 112 6.258 5.203 11.428
902 1HE LYS 112 2HE LYS 112 6.692 5.609 9.079
903 2HE LYS 112 1HE LYS 112 6.066 7.068 9.847
904 1HZ LYS 112 1HZ LYS 112 8.662 7.477 10.132
905 2HZ LYS 112 2HZ LYS 112 7.803 7.985 8.767
906 3HZ LYS 112 3HZ LYS 112 8.696 6.549 8.717
907 H ASP 113 H ASP 113 6.432 5.082 16.350
908 HA ASP 113 HA ASP 113 7.284 7.164 18.041
909 1HB ASP 113 2HB ASP 113 5.866 4.562 18.631
910 2HB ASP 113 1HB ASP 113 6.148 5.807 19.845
911 H ALA 114 H ALA 114 8.319 3.816 17.707
912 HA ALA 114 HA ALA 114 9.955 3.706 20.000
913 1HB ALA 114 1HB ALA 114 10.799 2.109 17.674
914 2HB ALA 114 2HB ALA 114 9.128 1.885 18.190
915 3HB ALA 114 3HB ALA 114 10.446 1.610 19.329
916 H ASP 115 H ASP 115 10.508 4.867 16.739
917 HA ASP 115 HA ASP 115 12.306 5.828 15.715
918 1HB ASP 115 2HB ASP 115 11.582 7.510 17.463
919 2HB ASP 115 1HB ASP 115 12.903 6.920 18.467
920 H LEU 45 1H LEU 45 -4.163 2.504 -20.080
921 HA LEU 45 HA LEU 45 -3.450 4.687 -19.173
922 1HB LEU 45 2HB LEU 45 -4.717 2.590 -18.106
923 2HB LEU 45 1HB LEU 45 -3.325 2.618 -17.040
924 HG LEU 45 HG LEU 45 -3.849 4.971 -16.462
925 1HD1 LEU 45 1HD1 LEU 45 -5.014 5.670 -18.442
926 2HD1 LEU 45 2HD1 LEU 45 -6.098 5.827 -17.060
927 3HD1 LEU 45 3HD1 LEU 45 -6.277 4.470 -18.174
928 1HD2 LEU 45 1HD2 LEU 45 -4.637 3.519 -14.856
929 2HD2 LEU 45 2HD2 LEU 45 -5.776 2.746 -15.959
930 3HD2 LEU 45 3HD2 LEU 45 -6.115 4.358 -15.326
931 H SER 46 H SER 46 -2.130 5.515 -17.307
932 HA SER 46 HA SER 46 0.546 4.311 -17.203
933 1HB SER 46 2HB SER 46 -0.194 7.045 -18.125
934 2HB SER 46 1HB SER 46 1.266 6.883 -17.148
935 HG SER 46 HG SER 46 2.058 6.472 -19.085
936 HA PRO 47 HA PRO 47 0.678 4.901 -12.850
937 1HB PRO 47 2HB PRO 47 3.015 6.712 -13.229
938 2HB PRO 47 1HB PRO 47 2.845 5.298 -12.181
939 1HG PRO 47 2HG PRO 47 4.242 5.143 -14.438
940 2HG PRO 47 1HG PRO 47 3.203 3.803 -13.921
941 1HD PRO 47 2HD PRO 47 2.755 5.836 -16.058
942 2HD PRO 47 1HD PRO 47 2.285 4.124 -16.009
943 H ASP 48 H ASP 48 1.377 7.892 -14.644
944 HA ASP 48 HA ASP 48 0.668 9.720 -12.663
945 1HB ASP 48 2HB ASP 48 0.490 9.943 -15.674
946 2HB ASP 48 1HB ASP 48 0.260 11.300 -14.576
947 H ASP 49 H ASP 49 -1.311 7.814 -14.799
948 HA ASP 49 HA ASP 49 -3.705 9.286 -14.561
949 1HB ASP 49 2HB ASP 49 -3.310 6.337 -15.106
950 2HB ASP 49 1HB ASP 49 -4.813 7.223 -15.346
951 H ILE 50 H ILE 50 -2.325 6.639 -12.682
952 HA ILE 50 HA ILE 50 -4.585 6.277 -10.999
953 HB ILE 50 HB ILE 50 -1.731 5.557 -10.355
954 1HG1 ILE 50 2HG1 ILE 50 -2.273 4.647 -12.539
955 2HG1 ILE 50 1HG1 ILE 50 -2.265 3.346 -11.352
956 1HG2 ILE 50 1HG2 ILE 50 -3.835 3.750 -9.493
957 2HG2 ILE 50 2HG2 ILE 50 -4.022 5.371 -8.823
958 3HG2 ILE 50 3HG2 ILE 50 -2.520 4.478 -8.570
959 1HD1 ILE 50 1HD1 ILE 50 -4.723 4.723 -12.406
960 2HD1 ILE 50 2HD1 ILE 50 -4.685 3.369 -11.276
961 3HD1 ILE 50 3HD1 ILE 50 -4.118 3.153 -12.932
962 H GLU 51 H GLU 51 -1.942 8.485 -11.009
963 HA GLU 51 HA GLU 51 -1.884 9.177 -8.279
964 1HB GLU 51 2HB GLU 51 -1.171 10.802 -10.727
965 2HB GLU 51 1HB GLU 51 -0.813 11.287 -9.075
966 1HG GLU 51 2HG GLU 51 0.562 9.270 -8.801
967 2HG GLU 51 1HG GLU 51 0.236 8.841 -10.478
968 H GLN 52 H GLN 52 -3.898 10.238 -10.949
969 HA GLN 52 HA GLN 52 -5.023 12.503 -9.708
970 1HB GLN 52 2HB GLN 52 -5.441 10.976 -12.126
971 2HB GLN 52 1HB GLN 52 -6.979 11.451 -11.416
972 1HG GLN 52 2HG GLN 52 -6.658 13.637 -11.843
973 2HG GLN 52 1HG GLN 52 -4.920 13.549 -11.558
974 1HE2 GLN 52 1HE2 GLN 52 -6.880 11.629 -13.771
975 2HE2 GLN 52 2HE2 GLN 52 -6.104 12.166 -15.216
976 H TRP 53 H TRP 53 -5.723 9.098 -9.459
977 HA TRP 53 HA TRP 53 -8.308 9.146 -8.450
978 1HB TRP 53 2HB TRP 53 -5.992 7.297 -7.892
979 2HB TRP 53 1HB TRP 53 -7.595 7.026 -7.218
980 HD1 TRP 53 HD1 TRP 53 -6.155 7.661 -10.780
981 HE1 TRP 53 HE1 TRP 53 -7.378 6.086 -12.407
982 HE3 TRP 53 HE3 TRP 53 -9.339 5.395 -7.483
983 HZ2 TRP 53 HZ2 TRP 53 -9.422 4.142 -12.309
984 HZ3 TRP 53 HZ3 TRP 53 -10.897 3.689 -8.330
985 HH2 TRP 53 HH2 TRP 53 -10.936 3.077 -10.694
986 H PHE 54 H PHE 54 -5.298 10.002 -6.924
987 HA PHE 54 HA PHE 54 -6.738 10.472 -4.397
988 1HB PHE 54 2HB PHE 54 -3.785 9.970 -4.816
989 2HB PHE 54 1HB PHE 54 -4.560 10.282 -3.266
990 HD1 PHE 54 HD1 PHE 54 -5.602 8.557 -2.057
991 HD2 PHE 54 HD2 PHE 54 -4.369 7.888 -6.075
992 HE1 PHE 54 HE1 PHE 54 -6.028 6.148 -1.783
993 HE2 PHE 54 HE2 PHE 54 -4.792 5.480 -5.809
994 HZ PHE 54 HZ PHE 54 -5.624 4.608 -3.662
995 H THR 55 H THR 55 -5.182 11.977 -7.018
996 HA THR 55 HA THR 55 -4.338 14.314 -5.554
997 HB THR 55 HB THR 55 -3.987 13.247 -8.226
998 HG1 THR 55 HG1 THR 55 -2.502 15.167 -6.781
999 1HG2 THR 55 1HG2 THR 55 -4.513 16.172 -7.924
1000 2HG2 THR 55 2HG2 THR 55 -5.143 15.057 -9.136
1001 3HG2 THR 55 3HG2 THR 55 -3.445 15.536 -9.175
1002 H GLU 56 H GLU 56 -7.109 13.257 -7.360
1003 HA GLU 56 HA GLU 56 -8.237 15.851 -7.757
1004 1HB GLU 56 2HB GLU 56 -9.468 13.093 -7.858
1005 2HB GLU 56 1HB GLU 56 -10.319 14.567 -8.298
1006 1HG GLU 56 2HG GLU 56 -7.831 13.517 -9.629
1007 2HG GLU 56 1HG GLU 56 -9.474 13.371 -10.251
1008 H ASP 57 H ASP 57 -8.986 17.098 -6.187
1009 HA ASP 57 HA ASP 57 -10.703 15.961 -4.133
1010 1HB ASP 57 2HB ASP 57 -7.990 17.030 -3.629
1011 2HB ASP 57 1HB ASP 57 -9.249 17.592 -2.534
1012 HA PRO 58 HA PRO 58 -12.899 19.759 -4.494
1013 1HB PRO 58 2HB PRO 58 -13.625 20.343 -1.945
1014 2HB PRO 58 1HB PRO 58 -14.345 19.019 -2.870
1015 1HG PRO 58 2HG PRO 58 -12.179 18.928 -0.805
1016 2HG PRO 58 1HG PRO 58 -13.571 17.848 -1.015
1017 1HD PRO 58 2HD PRO 58 -11.085 17.196 -1.860
1018 2HD PRO 58 1HD PRO 58 -12.549 16.655 -2.703
Start of MODEL 17
1 HT1 PRO 1 HT2 PRO 1 -13.925 -6.168 11.290
2 HT2 PRO 1 HT1 PRO 1 -13.514 -4.571 11.728
3 HA PRO 1 HA PRO 1 -12.407 -6.243 9.796
4 1HB PRO 1 2HB PRO 1 -12.535 -3.883 8.300
5 2HB PRO 1 1HB PRO 1 -13.384 -5.394 7.951
6 1HG PRO 1 2HG PRO 1 -14.378 -2.933 9.294
7 2HG PRO 1 1HG PRO 1 -15.249 -4.085 8.270
8 1HD PRO 1 2HD PRO 1 -15.552 -4.013 10.965
9 2HD PRO 1 1HD PRO 1 -15.677 -5.520 10.035
10 H SER 2 H SER 2 -11.724 -5.178 12.315
11 HA SER 2 HA SER 2 -10.139 -2.843 12.155
12 1HB SER 2 2HB SER 2 -9.928 -5.156 14.097
13 2HB SER 2 1HB SER 2 -9.216 -3.558 14.315
14 HG SER 2 HG SER 2 -11.190 -3.705 15.413
15 H HIS 3 H HIS 3 -9.518 -6.190 11.411
16 HA HIS 3 HA HIS 3 -6.878 -5.429 10.400
17 1HB HIS 3 2HB HIS 3 -7.399 -7.754 12.260
18 2HB HIS 3 1HB HIS 3 -5.900 -7.507 11.368
19 HD1 HIS 3 HD1 HIS 3 -8.019 -5.722 13.955
20 HD2 HIS 3 HD2 HIS 3 -4.087 -5.931 12.634
21 HE1 HIS 3 HE1 HIS 3 -6.705 -4.277 15.535
22 HE2 HIS 3 HE2 HIS 3 -4.338 -4.359 14.676
23 H SER 4 H SER 4 -9.342 -5.906 9.078
24 HA SER 4 HA SER 4 -8.473 -7.608 7.021
25 1HB SER 4 2HB SER 4 -10.424 -9.268 7.239
26 2HB SER 4 1HB SER 4 -9.025 -9.511 8.290
27 HG SER 4 HG SER 4 -10.217 -8.362 9.926
28 H GLY 5 H GLY 5 -9.219 -6.572 5.316
29 1HA GLY 5 2HA GLY 5 -12.051 -5.868 5.209
30 2HA GLY 5 1HA GLY 5 -10.894 -4.562 5.001
31 H ALA 6 H ALA 6 -12.804 -6.678 3.436
32 HA ALA 6 HA ALA 6 -11.511 -7.833 1.386
33 1HB ALA 6 1HB ALA 6 -14.115 -6.364 1.349
34 2HB ALA 6 2HB ALA 6 -13.827 -8.096 1.525
35 3HB ALA 6 3HB ALA 6 -13.529 -7.303 -0.024
36 H ALA 7 H ALA 7 -9.860 -7.110 0.260
37 HA ALA 7 HA ALA 7 -10.037 -4.414 -0.938
38 1HB ALA 7 1HB ALA 7 -7.422 -5.736 -0.335
39 2HB ALA 7 2HB ALA 7 -8.296 -4.872 0.933
40 3HB ALA 7 3HB ALA 7 -7.788 -4.021 -0.527
41 H ILE 8 H ILE 8 -9.080 -4.119 -3.019
42 HA ILE 8 HA ILE 8 -9.009 -6.593 -4.596
43 HB ILE 8 HB ILE 8 -9.689 -3.773 -5.264
44 1HG1 ILE 8 2HG1 ILE 8 -11.030 -5.704 -6.845
45 2HG1 ILE 8 1HG1 ILE 8 -10.947 -6.340 -5.206
46 1HG2 ILE 8 1HG2 ILE 8 -7.910 -4.103 -6.823
47 2HG2 ILE 8 2HG2 ILE 8 -9.445 -4.237 -7.680
48 3HG2 ILE 8 3HG2 ILE 8 -8.536 -5.690 -7.269
49 1HD1 ILE 8 1HD1 ILE 8 -11.877 -4.159 -4.426
50 2HD1 ILE 8 2HD1 ILE 8 -12.964 -5.160 -5.389
51 3HD1 ILE 8 3HD1 ILE 8 -12.166 -3.767 -6.122
52 H PHE 9 H PHE 9 -7.171 -7.356 -5.330
53 HA PHE 9 HA PHE 9 -4.819 -5.565 -5.295
54 1HB PHE 9 2HB PHE 9 -4.871 -7.591 -3.723
55 2HB PHE 9 1HB PHE 9 -4.670 -8.566 -5.173
56 HD1 PHE 9 HD1 PHE 9 -2.526 -9.421 -5.100
57 HD2 PHE 9 HD2 PHE 9 -3.153 -5.304 -4.225
58 HE1 PHE 9 HE1 PHE 9 -0.092 -9.076 -4.999
59 HE2 PHE 9 HE2 PHE 9 -0.721 -4.950 -4.124
60 HZ PHE 9 HZ PHE 9 0.814 -6.838 -4.512
61 H GLU 10 H GLU 10 -3.732 -5.215 -7.125
62 HA GLU 10 HA GLU 10 -3.230 -5.217 -9.348
63 1HB GLU 10 2HB GLU 10 -3.709 -8.189 -9.127
64 2HB GLU 10 1HB GLU 10 -2.767 -7.371 -10.366
65 1HG GLU 10 2HG GLU 10 -1.189 -6.623 -8.628
66 2HG GLU 10 1HG GLU 10 -2.112 -7.532 -7.434
67 H LYS 11 H LYS 11 -5.977 -4.757 -8.617
68 HA LYS 11 HA LYS 11 -7.905 -4.317 -9.759
69 1HB LYS 11 2HB LYS 11 -6.860 -5.925 -12.088
70 2HB LYS 11 1HB LYS 11 -8.112 -4.691 -12.102
71 1HG LYS 11 2HG LYS 11 -6.388 -3.010 -11.504
72 2HG LYS 11 1HG LYS 11 -5.164 -4.272 -11.663
73 1HD LYS 11 2HD LYS 11 -5.913 -4.622 -14.007
74 2HD LYS 11 1HD LYS 11 -7.006 -3.249 -13.822
75 1HE LYS 11 2HE LYS 11 -4.133 -2.870 -13.152
76 2HE LYS 11 1HE LYS 11 -4.586 -2.973 -14.854
77 1HZ LYS 11 1HZ LYS 11 -6.160 -1.191 -13.158
78 2HZ LYS 11 2HZ LYS 11 -5.691 -1.013 -14.774
79 3HZ LYS 11 3HZ LYS 11 -4.584 -0.701 -13.534
80 H VAL 12 H VAL 12 -6.794 -7.173 -8.691
81 HA VAL 12 HA VAL 12 -9.160 -8.703 -9.460
82 HB VAL 12 HB VAL 12 -6.546 -9.539 -8.211
83 1HG1 VAL 12 1HG1 VAL 12 -9.095 -11.129 -8.483
84 2HG1 VAL 12 2HG1 VAL 12 -8.189 -10.796 -7.007
85 3HG1 VAL 12 3HG1 VAL 12 -7.509 -11.861 -8.238
86 1HG2 VAL 12 1HG2 VAL 12 -8.000 -10.169 -10.753
87 2HG2 VAL 12 2HG2 VAL 12 -6.575 -11.057 -10.206
88 3HG2 VAL 12 3HG2 VAL 12 -6.456 -9.333 -10.573
89 H SER 13 H SER 13 -10.383 -9.751 -7.838
90 HA SER 13 HA SER 13 -10.528 -8.076 -5.450
91 1HB SER 13 2HB SER 13 -12.750 -9.004 -5.122
92 2HB SER 13 1HB SER 13 -12.563 -8.339 -6.741
93 HG SER 13 HG SER 13 -13.111 -10.230 -7.451
94 H GLY 14 H GLY 14 -10.694 -8.834 -3.391
95 1HA GLY 14 2HA GLY 14 -10.637 -11.470 -2.503
96 2HA GLY 14 1HA GLY 14 -8.966 -10.943 -2.685
97 H ILE 15 H ILE 15 -9.430 -11.491 -0.186
98 HA ILE 15 HA ILE 15 -10.262 -8.973 1.053
99 HB ILE 15 HB ILE 15 -10.142 -11.738 2.249
100 1HG1 ILE 15 2HG1 ILE 15 -12.379 -11.808 1.993
101 2HG1 ILE 15 1HG1 ILE 15 -12.571 -10.192 2.655
102 1HG2 ILE 15 1HG2 ILE 15 -9.294 -10.202 3.917
103 2HG2 ILE 15 2HG2 ILE 15 -10.940 -10.674 4.348
104 3HG2 ILE 15 3HG2 ILE 15 -10.642 -9.096 3.619
105 1HD1 ILE 15 1HD1 ILE 15 -12.023 -9.282 0.410
106 2HD1 ILE 15 2HD1 ILE 15 -13.508 -10.226 0.479
107 3HD1 ILE 15 3HD1 ILE 15 -12.046 -10.936 -0.207
108 H ILE 16 H ILE 16 -8.994 -7.903 2.456
109 HA ILE 16 HA ILE 16 -6.178 -8.735 2.465
110 HB ILE 16 HB ILE 16 -7.476 -6.191 2.013
111 1HG1 ILE 16 2HG1 ILE 16 -4.564 -6.995 1.969
112 2HG1 ILE 16 1HG1 ILE 16 -5.689 -7.141 0.625
113 1HG2 ILE 16 1HG2 ILE 16 -7.153 -5.749 4.361
114 2HG2 ILE 16 2HG2 ILE 16 -6.078 -4.751 3.384
115 3HG2 ILE 16 3HG2 ILE 16 -5.445 -6.168 4.227
116 1HD1 ILE 16 1HD1 ILE 16 -4.011 -5.072 0.974
117 2HD1 ILE 16 2HD1 ILE 16 -5.454 -4.452 1.778
118 3HD1 ILE 16 3HD1 ILE 16 -5.536 -4.968 0.094
119 H ALA 17 H ALA 17 -5.503 -9.569 4.313
120 HA ALA 17 HA ALA 17 -6.859 -8.736 6.790
121 1HB ALA 17 1HB ALA 17 -6.627 -10.932 7.655
122 2HB ALA 17 2HB ALA 17 -5.564 -11.414 6.330
123 3HB ALA 17 3HB ALA 17 -7.274 -11.088 6.016
124 H ILE 18 H ILE 18 -5.675 -7.737 8.224
125 HA ILE 18 HA ILE 18 -2.771 -7.718 7.929
126 HB ILE 18 HB ILE 18 -4.744 -5.911 9.292
127 1HG1 ILE 18 2HG1 ILE 18 -2.549 -5.395 7.278
128 2HG1 ILE 18 1HG1 ILE 18 -4.250 -5.619 6.886
129 1HG2 ILE 18 1HG2 ILE 18 -1.971 -6.360 10.082
130 2HG2 ILE 18 2HG2 ILE 18 -3.285 -5.539 10.929
131 3HG2 ILE 18 3HG2 ILE 18 -2.343 -4.675 9.714
132 1HD1 ILE 18 1HD1 ILE 18 -4.807 -3.620 8.161
133 2HD1 ILE 18 2HD1 ILE 18 -3.644 -3.272 6.882
134 3HD1 ILE 18 3HD1 ILE 18 -3.104 -3.396 8.556
135 H ASN 19 H ASN 19 -1.379 -8.426 9.473
136 HA ASN 19 HA ASN 19 -2.525 -9.484 11.968
137 1HB ASN 19 2HB ASN 19 -0.562 -10.868 10.133
138 2HB ASN 19 1HB ASN 19 -0.902 -11.397 11.777
139 1HD2 ASN 19 1HD2 ASN 19 -1.335 -13.253 10.050
140 2HD2 ASN 19 2HD2 ASN 19 -3.008 -13.458 9.672
141 H GLU 20 H GLU 20 -1.658 -8.406 13.598
142 HA GLU 20 HA GLU 20 1.001 -7.244 13.329
143 1HB GLU 20 2HB GLU 20 -1.066 -6.951 15.517
144 2HB GLU 20 1HB GLU 20 0.461 -6.082 15.443
145 1HG GLU 20 2HG GLU 20 -0.256 -5.047 13.331
146 2HG GLU 20 1HG GLU 20 -1.804 -5.879 13.471
147 H ASP 21 H ASP 21 -0.003 -10.189 14.093
148 HA ASP 21 HA ASP 21 1.388 -10.629 16.572
149 1HB ASP 21 2HB ASP 21 -0.603 -11.968 15.812
150 2HB ASP 21 1HB ASP 21 0.425 -12.683 14.574
151 H VAL 22 H VAL 22 2.214 -10.451 13.269
152 HA VAL 22 HA VAL 22 4.676 -11.977 13.653
153 HB VAL 22 HB VAL 22 4.809 -11.188 11.071
154 1HG1 VAL 22 1HG1 VAL 22 3.807 -13.589 12.457
155 2HG1 VAL 22 2HG1 VAL 22 5.127 -13.411 11.301
156 3HG1 VAL 22 3HG1 VAL 22 3.459 -13.475 10.733
157 1HG2 VAL 22 1HG2 VAL 22 2.577 -10.068 11.290
158 2HG2 VAL 22 2HG2 VAL 22 1.872 -11.671 11.513
159 3HG2 VAL 22 3HG2 VAL 22 2.685 -11.268 10.001
160 H SER 23 H SER 23 6.710 -11.066 13.354
161 HA SER 23 HA SER 23 6.757 -8.125 13.260
162 1HB SER 23 2HB SER 23 7.466 -8.504 15.416
163 2HB SER 23 1HB SER 23 8.201 -10.057 15.016
164 HG SER 23 HG SER 23 9.284 -7.541 14.986
165 HA PRO 24 HA PRO 24 7.329 -6.572 12.322
166 1HB PRO 24 2HB PRO 24 7.251 -5.386 9.920
167 2HB PRO 24 1HB PRO 24 8.707 -5.355 10.922
168 1HG PRO 24 2HG PRO 24 8.055 -7.098 8.580
169 2HG PRO 24 1HG PRO 24 9.577 -6.280 8.974
170 1HD PRO 24 2HD PRO 24 9.093 -8.925 9.476
171 2HD PRO 24 1HD PRO 24 10.233 -7.937 10.411
172 H ALA 25 H ALA 25 5.161 -6.092 12.154
173 HA ALA 25 HA ALA 25 3.327 -7.996 11.418
174 1HB ALA 25 1HB ALA 25 1.641 -6.189 11.408
175 2HB ALA 25 2HB ALA 25 2.947 -5.002 11.451
176 3HB ALA 25 3HB ALA 25 2.717 -6.112 12.804
177 H GLU 26 H GLU 26 2.251 -8.579 9.584
178 HA GLU 26 HA GLU 26 2.895 -7.084 7.130
179 1HB GLU 26 2HB GLU 26 2.669 -10.088 7.335
180 2HB GLU 26 1HB GLU 26 3.112 -9.159 5.910
181 1HG GLU 26 2HG GLU 26 5.133 -8.376 7.104
182 2HG GLU 26 1HG GLU 26 4.704 -9.433 8.448
183 H LEU 27 H LEU 27 1.425 -7.644 5.302
184 HA LEU 27 HA LEU 27 -1.329 -8.085 6.253
185 1HB LEU 27 2HB LEU 27 -1.129 -5.772 5.698
186 2HB LEU 27 1HB LEU 27 -0.273 -6.132 4.213
187 HG LEU 27 HG LEU 27 -3.079 -7.108 4.552
188 1HD1 LEU 27 1HD1 LEU 27 -3.285 -4.807 5.175
189 2HD1 LEU 27 2HD1 LEU 27 -3.853 -4.982 3.515
190 3HD1 LEU 27 3HD1 LEU 27 -2.258 -4.301 3.834
191 1HD2 LEU 27 1HD2 LEU 27 -2.744 -6.215 2.000
192 2HD2 LEU 27 2HD2 LEU 27 -2.477 -7.875 2.534
193 3HD2 LEU 27 3HD2 LEU 27 -1.117 -6.761 2.406
194 H THR 28 H THR 28 -2.438 -9.657 5.231
195 HA THR 28 HA THR 28 -1.229 -10.782 2.791
196 HB THR 28 HB THR 28 -2.853 -12.239 4.880
197 HG1 THR 28 HG1 THR 28 -0.902 -11.813 5.783
198 1HG2 THR 28 1HG2 THR 28 -3.094 -13.439 2.878
199 2HG2 THR 28 2HG2 THR 28 -1.810 -14.253 3.773
200 3HG2 THR 28 3HG2 THR 28 -1.409 -13.184 2.429
201 H TRP 29 H TRP 29 -2.385 -10.683 1.016
202 HA TRP 29 HA TRP 29 -5.238 -10.093 1.165
203 1HB TRP 29 2HB TRP 29 -3.921 -8.531 -0.157
204 2HB TRP 29 1HB TRP 29 -3.243 -9.857 -1.100
205 HD1 TRP 29 HD1 TRP 29 -6.690 -8.284 -0.406
206 HE1 TRP 29 HE1 TRP 29 -8.117 -8.473 -2.543
207 HE3 TRP 29 HE3 TRP 29 -3.425 -10.933 -3.288
208 HZ2 TRP 29 HZ2 TRP 29 -7.874 -9.625 -5.119
209 HZ3 TRP 29 HZ3 TRP 29 -4.095 -11.550 -5.575
210 HH2 TRP 29 HH2 TRP 29 -6.273 -10.910 -6.467
211 H ARG 30 H ARG 30 -6.703 -11.584 0.591
212 HA ARG 30 HA ARG 30 -5.760 -13.930 -0.926
213 1HB ARG 30 2HB ARG 30 -6.202 -14.363 1.529
214 2HB ARG 30 1HB ARG 30 -7.896 -14.020 1.203
215 1HG ARG 30 2HG ARG 30 -8.242 -16.000 0.197
216 2HG ARG 30 1HG ARG 30 -6.654 -16.007 -0.572
217 1HD ARG 30 2HD ARG 30 -7.332 -16.746 2.267
218 2HD ARG 30 1HD ARG 30 -6.712 -17.802 1.000
219 HE ARG 30 HE ARG 30 -4.777 -15.935 1.230
220 1HH1 ARG 30 1HH1 ARG 30 -6.410 -17.962 3.555
221 2HH1 ARG 30 2HH1 ARG 30 -5.049 -18.046 4.623
222 1HH2 ARG 30 1HH2 ARG 30 -2.987 -16.045 2.634
223 2HH2 ARG 30 2HH2 ARG 30 -3.107 -16.957 4.102
224 H SER 31 H SER 31 -6.691 -14.003 -2.851
225 HA SER 31 HA SER 31 -8.680 -12.424 -3.839
226 1HB SER 31 2HB SER 31 -7.363 -13.811 -5.311
227 2HB SER 31 1HB SER 31 -8.036 -15.279 -4.601
228 HG SER 31 HG SER 31 -9.505 -15.114 -6.081
229 H THR 32 H THR 32 -10.915 -13.018 -4.543
230 HA THR 32 HA THR 32 -12.453 -13.811 -2.285
231 HB THR 32 HB THR 32 -13.995 -13.780 -4.712
232 HG1 THR 32 HG1 THR 32 -13.361 -11.946 -5.637
233 1HG2 THR 32 1HG2 THR 32 -15.116 -11.904 -3.722
234 2HG2 THR 32 2HG2 THR 32 -13.808 -11.693 -2.557
235 3HG2 THR 32 3HG2 THR 32 -14.828 -13.130 -2.487
236 H ASP 33 H ASP 33 -11.636 -15.189 -5.377
237 HA ASP 33 HA ASP 33 -13.141 -17.575 -4.934
238 1HB ASP 33 2HB ASP 33 -11.181 -16.818 -7.099
239 2HB ASP 33 1HB ASP 33 -12.073 -18.335 -7.071
240 H GLY 34 H GLY 34 -9.967 -16.468 -4.270
241 1HA GLY 34 2HA GLY 34 -8.434 -17.513 -2.843
242 2HA GLY 34 1HA GLY 34 -9.326 -19.016 -3.022
243 H ASP 35 H ASP 35 -8.223 -17.040 -5.707
244 HA ASP 35 HA ASP 35 -6.466 -19.257 -6.505
245 1HB ASP 35 2HB ASP 35 -8.321 -18.710 -8.055
246 2HB ASP 35 1HB ASP 35 -7.663 -17.087 -8.236
247 H LYS 36 H LYS 36 -6.500 -15.944 -5.602
248 HA LYS 36 HA LYS 36 -3.631 -15.764 -6.241
249 1HB LYS 36 2HB LYS 36 -5.456 -13.370 -6.213
250 2HB LYS 36 1HB LYS 36 -3.827 -13.495 -6.867
251 1HG LYS 36 2HG LYS 36 -5.271 -15.386 -8.286
252 2HG LYS 36 1HG LYS 36 -6.376 -14.020 -8.127
253 1HD LYS 36 2HD LYS 36 -3.568 -13.943 -9.228
254 2HD LYS 36 1HD LYS 36 -5.064 -13.801 -10.154
255 1HE LYS 36 2HE LYS 36 -5.566 -11.784 -8.645
256 2HE LYS 36 1HE LYS 36 -3.858 -11.853 -8.216
257 1HZ LYS 36 1HZ LYS 36 -4.532 -10.342 -10.126
258 2HZ LYS 36 2HZ LYS 36 -4.738 -11.754 -11.035
259 3HZ LYS 36 3HZ LYS 36 -3.220 -11.378 -10.392
260 H VAL 37 H VAL 37 -2.319 -15.134 -4.630
261 HA VAL 37 HA VAL 37 -3.477 -13.900 -2.241
262 HB VAL 37 HB VAL 37 -1.608 -16.269 -2.103
263 1HG1 VAL 37 1HG1 VAL 37 -1.824 -16.147 0.248
264 2HG1 VAL 37 2HG1 VAL 37 -3.129 -14.964 0.141
265 3HG1 VAL 37 3HG1 VAL 37 -1.483 -14.503 -0.294
266 1HG2 VAL 37 1HG2 VAL 37 -3.903 -17.037 -0.850
267 2HG2 VAL 37 2HG2 VAL 37 -3.471 -17.456 -2.508
268 3HG2 VAL 37 3HG2 VAL 37 -4.531 -16.083 -2.193
269 H HIS 38 H HIS 38 -2.204 -12.382 -1.312
270 HA HIS 38 HA HIS 38 0.616 -12.248 -2.082
271 1HB HIS 38 2HB HIS 38 -0.604 -10.775 -3.629
272 2HB HIS 38 1HB HIS 38 -1.267 -9.898 -2.257
273 HD1 HIS 38 HD1 HIS 38 2.181 -10.752 -3.629
274 HD2 HIS 38 HD2 HIS 38 0.186 -7.716 -1.612
275 HE1 HIS 38 HE1 HIS 38 3.858 -8.894 -3.382
276 HE2 HIS 38 HE2 HIS 38 2.653 -7.102 -2.083
277 H THR 39 H THR 39 1.960 -11.251 -0.641
278 HA THR 39 HA THR 39 0.768 -10.448 1.931
279 HB THR 39 HB THR 39 3.315 -12.038 1.561
280 HG1 THR 39 HG1 THR 39 0.723 -12.793 2.406
281 1HG2 THR 39 1HG2 THR 39 1.877 -11.144 4.045
282 2HG2 THR 39 2HG2 THR 39 3.521 -10.745 3.545
283 3HG2 THR 39 3HG2 THR 39 3.118 -12.397 4.015
284 H VAL 40 H VAL 40 1.627 -8.669 2.921
285 HA VAL 40 HA VAL 40 3.969 -7.411 1.657
286 HB VAL 40 HB VAL 40 1.438 -5.979 2.476
287 1HG1 VAL 40 1HG1 VAL 40 4.185 -5.044 2.032
288 2HG1 VAL 40 2HG1 VAL 40 2.851 -4.284 2.905
289 3HG1 VAL 40 3HG1 VAL 40 2.949 -4.145 1.147
290 1HG2 VAL 40 1HG2 VAL 40 1.139 -5.463 0.161
291 2HG2 VAL 40 2HG2 VAL 40 1.359 -7.207 0.303
292 3HG2 VAL 40 3HG2 VAL 40 2.689 -6.194 -0.257
293 H VAL 41 H VAL 41 5.364 -6.380 2.989
294 HA VAL 41 HA VAL 41 5.052 -6.851 5.838
295 HB VAL 41 HB VAL 41 7.228 -7.343 5.098
296 1HG1 VAL 41 1HG1 VAL 41 7.484 -6.519 2.997
297 2HG1 VAL 41 2HG1 VAL 41 8.575 -5.471 3.900
298 3HG1 VAL 41 3HG1 VAL 41 6.968 -4.895 3.450
299 1HG2 VAL 41 1HG2 VAL 41 8.226 -4.796 5.953
300 2HG2 VAL 41 2HG2 VAL 41 8.255 -6.346 6.787
301 3HG2 VAL 41 3HG2 VAL 41 6.856 -5.286 6.948
302 H LEU 42 H LEU 42 4.085 -5.402 7.083
303 HA LEU 42 HA LEU 42 3.384 -2.824 6.131
304 1HB LEU 42 2HB LEU 42 3.198 -3.901 8.941
305 2HB LEU 42 1HB LEU 42 2.339 -2.510 8.301
306 HG LEU 42 HG LEU 42 1.950 -5.388 7.477
307 1HD1 LEU 42 1HD1 LEU 42 0.974 -4.157 9.679
308 2HD1 LEU 42 2HD1 LEU 42 0.157 -5.464 8.823
309 3HD1 LEU 42 3HD1 LEU 42 -0.286 -3.787 8.502
310 1HD2 LEU 42 1HD2 LEU 42 -0.098 -4.123 6.336
311 2HD2 LEU 42 2HD2 LEU 42 1.436 -4.388 5.506
312 3HD2 LEU 42 3HD2 LEU 42 1.097 -2.828 6.257
313 H SER 43 H SER 43 5.972 -4.006 8.166
314 HA SER 43 HA SER 43 6.714 -1.693 9.491
315 1HB SER 43 2HB SER 43 7.913 -3.534 10.197
316 2HB SER 43 1HB SER 43 8.214 -4.101 8.554
317 HG SER 43 HG SER 43 9.833 -2.652 8.339
318 H THR 44 H THR 44 6.993 -2.431 6.139
319 HA THR 44 HA THR 44 8.979 -0.386 5.634
320 HB THR 44 HB THR 44 9.187 -1.256 3.546
321 HG1 THR 44 HG1 THR 44 7.544 -1.111 2.281
322 1HG2 THR 44 1HG2 THR 44 8.727 -3.591 3.367
323 2HG2 THR 44 2HG2 THR 44 7.533 -3.501 4.661
324 3HG2 THR 44 3HG2 THR 44 9.240 -3.238 5.017
325 H ILE 45 H ILE 45 5.546 -0.672 5.668
326 HA ILE 45 HA ILE 45 4.783 1.344 3.940
327 HB ILE 45 HB ILE 45 3.487 0.598 6.565
328 1HG1 ILE 45 2HG1 ILE 45 3.681 -1.304 5.077
329 2HG1 ILE 45 1HG1 ILE 45 2.003 -0.768 5.105
330 1HG2 ILE 45 1HG2 ILE 45 2.544 2.663 5.992
331 2HG2 ILE 45 2HG2 ILE 45 1.414 1.475 5.340
332 3HG2 ILE 45 3HG2 ILE 45 2.552 2.291 4.267
333 1HD1 ILE 45 1HD1 ILE 45 4.017 -0.598 2.922
334 2HD1 ILE 45 2HD1 ILE 45 2.717 0.591 2.996
335 3HD1 ILE 45 3HD1 ILE 45 2.336 -1.126 2.869
336 H ASP 46 H ASP 46 5.853 3.225 3.897
337 HA ASP 46 HA ASP 46 6.380 4.658 6.384
338 1HB ASP 46 2HB ASP 46 8.049 4.306 4.397
339 2HB ASP 46 1HB ASP 46 7.185 5.664 3.682
340 H LYS 47 H LYS 47 4.182 4.696 3.710
341 HA LYS 47 HA LYS 47 2.834 6.977 4.883
342 1HB LYS 47 2HB LYS 47 3.885 7.062 2.049
343 2HB LYS 47 1HB LYS 47 2.711 8.193 2.706
344 1HG LYS 47 2HG LYS 47 4.380 8.862 4.409
345 2HG LYS 47 1HG LYS 47 5.555 7.811 3.614
346 1HD LYS 47 2HD LYS 47 5.059 9.130 1.493
347 2HD LYS 47 1HD LYS 47 4.238 10.291 2.537
348 1HE LYS 47 2HE LYS 47 6.617 9.936 3.835
349 2HE LYS 47 1HE LYS 47 7.098 9.797 2.144
350 1HZ LYS 47 1HZ LYS 47 5.974 12.098 3.573
351 2HZ LYS 47 2HZ LYS 47 5.639 11.935 1.923
352 3HZ LYS 47 3HZ LYS 47 7.242 12.040 2.453
353 H LEU 48 H LEU 48 0.690 6.824 4.691
354 HA LEU 48 HA LEU 48 -0.361 4.695 2.960
355 1HB LEU 48 2HB LEU 48 -1.388 5.933 5.501
356 2HB LEU 48 1HB LEU 48 -2.411 4.955 4.468
357 HG LEU 48 HG LEU 48 0.123 4.017 5.811
358 1HD1 LEU 48 1HD1 LEU 48 -2.068 4.485 7.155
359 2HD1 LEU 48 2HD1 LEU 48 -1.162 2.996 7.418
360 3HD1 LEU 48 3HD1 LEU 48 -2.608 2.981 6.409
361 1HD2 LEU 48 1HD2 LEU 48 -1.161 1.782 5.054
362 2HD2 LEU 48 2HD2 LEU 48 0.076 2.572 4.075
363 3HD2 LEU 48 3HD2 LEU 48 -1.632 2.860 3.741
364 H GLN 49 H GLN 49 -1.503 5.243 1.236
365 HA GLN 49 HA GLN 49 -2.570 7.981 1.081
366 1HB GLN 49 2HB GLN 49 -1.604 6.084 -1.053
367 2HB GLN 49 1HB GLN 49 -2.571 7.502 -1.433
368 1HG GLN 49 2HG GLN 49 -0.870 8.940 -0.453
369 2HG GLN 49 1HG GLN 49 0.096 7.524 -0.038
370 1HE2 GLN 49 1HE2 GLN 49 0.842 9.754 -1.696
371 2HE2 GLN 49 2HE2 GLN 49 1.206 9.117 -3.259
372 H ALA 50 H ALA 50 -4.700 8.275 0.895
373 HA ALA 50 HA ALA 50 -6.383 6.063 -0.015
374 1HB ALA 50 1HB ALA 50 -6.956 5.566 2.085
375 2HB ALA 50 2HB ALA 50 -7.865 7.077 2.071
376 3HB ALA 50 3HB ALA 50 -6.226 7.040 2.724
377 H THR 51 H THR 51 -8.241 6.682 -1.042
378 HA THR 51 HA THR 51 -8.341 9.389 -1.978
379 HB THR 51 HB THR 51 -10.289 8.629 -3.285
380 HG1 THR 51 HG1 THR 51 -9.930 6.140 -1.983
381 1HG2 THR 51 1HG2 THR 51 -8.436 8.110 -4.517
382 2HG2 THR 51 2HG2 THR 51 -9.157 6.514 -4.317
383 3HG2 THR 51 3HG2 THR 51 -7.801 7.001 -3.301
384 HA PRO 52 HA PRO 52 -10.922 11.140 1.165
385 1HB PRO 52 2HB PRO 52 -12.193 13.032 -0.400
386 2HB PRO 52 1HB PRO 52 -10.599 13.233 0.333
387 1HG PRO 52 2HG PRO 52 -11.316 12.440 -2.456
388 2HG PRO 52 1HG PRO 52 -10.023 13.514 -1.892
389 1HD PRO 52 2HD PRO 52 -9.516 10.994 -2.658
390 2HD PRO 52 1HD PRO 52 -8.640 11.746 -1.308
391 H ALA 53 H ALA 53 -13.070 11.180 1.856
392 HA ALA 53 HA ALA 53 -14.751 9.174 0.852
393 1HB ALA 53 1HB ALA 53 -16.191 9.692 2.577
394 2HB ALA 53 2HB ALA 53 -15.846 11.420 2.488
395 3HB ALA 53 3HB ALA 53 -14.660 10.320 3.191
396 H SER 54 H SER 54 -14.840 12.695 0.450
397 HA SER 54 HA SER 54 -17.264 12.886 -0.914
398 1HB SER 54 2HB SER 54 -14.805 14.604 -1.313
399 2HB SER 54 1HB SER 54 -16.460 15.044 -1.733
400 HG SER 54 HG SER 54 -15.538 15.793 0.376
401 H SER 55 H SER 55 -14.155 11.823 -1.972
402 HA SER 55 HA SER 55 -14.769 11.978 -4.773
403 1HB SER 55 2HB SER 55 -12.439 10.965 -3.177
404 2HB SER 55 1HB SER 55 -12.582 10.581 -4.891
405 HG SER 55 HG SER 55 -11.610 12.451 -5.075
406 H GLU 56 H GLU 56 -15.952 10.554 -5.824
407 HA GLU 56 HA GLU 56 -17.007 8.223 -4.711
408 1HB GLU 56 2HB GLU 56 -16.613 8.944 -7.620
409 2HB GLU 56 1HB GLU 56 -17.621 7.624 -7.046
410 1HG GLU 56 2HG GLU 56 -19.015 9.248 -5.833
411 2HG GLU 56 1HG GLU 56 -18.028 10.553 -6.488
412 H LYS 57 H LYS 57 -13.914 8.851 -6.009
413 HA LYS 57 HA LYS 57 -13.169 6.358 -7.022
414 1HB LYS 57 2HB LYS 57 -11.473 8.403 -5.579
415 2HB LYS 57 1HB LYS 57 -10.848 7.066 -6.532
416 1HG LYS 57 2HG LYS 57 -12.585 9.276 -7.608
417 2HG LYS 57 1HG LYS 57 -10.826 9.213 -7.738
418 1HD LYS 57 2HD LYS 57 -11.151 6.956 -8.870
419 2HD LYS 57 1HD LYS 57 -12.857 7.386 -8.992
420 1HE LYS 57 2HE LYS 57 -11.752 9.627 -9.974
421 2HE LYS 57 1HE LYS 57 -10.516 8.460 -10.439
422 1HZ LYS 57 1HZ LYS 57 -13.293 8.685 -11.337
423 2HZ LYS 57 2HZ LYS 57 -12.607 7.140 -11.263
424 3HZ LYS 57 3HZ LYS 57 -11.897 8.335 -12.226
425 H MET 58 H MET 58 -12.552 4.477 -6.138
426 HA MET 58 HA MET 58 -12.368 4.324 -3.197
427 1HB MET 58 2HB MET 58 -13.356 2.084 -4.954
428 2HB MET 58 1HB MET 58 -13.501 2.241 -3.210
429 1HG MET 58 2HG MET 58 -14.812 4.233 -5.005
430 2HG MET 58 1HG MET 58 -15.559 2.662 -4.723
431 1HE MET 58 1HE MET 58 -16.302 1.773 -2.409
432 2HE MET 58 2HE MET 58 -16.194 2.674 -0.895
433 3HE MET 58 3HE MET 58 -14.728 2.073 -1.672
434 H MET 59 H MET 59 -10.174 4.228 -2.922
435 HA MET 59 HA MET 59 -8.830 1.817 -3.493
436 1HB MET 59 2HB MET 59 -8.809 2.681 -5.777
437 2HB MET 59 1HB MET 59 -8.061 4.172 -5.222
438 1HG MET 59 2HG MET 59 -6.426 2.064 -4.325
439 2HG MET 59 1HG MET 59 -6.838 1.715 -6.002
440 1HE MET 59 1HE MET 59 -5.798 5.109 -7.705
441 2HE MET 59 2HE MET 59 -7.077 5.361 -6.516
442 3HE MET 59 3HE MET 59 -7.116 3.945 -7.566
443 H LEU 60 H LEU 60 -6.891 1.632 -2.434
444 HA LEU 60 HA LEU 60 -5.932 3.999 -0.966
445 1HB LEU 60 2HB LEU 60 -7.263 2.100 0.299
446 2HB LEU 60 1HB LEU 60 -5.722 1.267 0.225
447 HG LEU 60 HG LEU 60 -5.880 4.049 1.329
448 1HD1 LEU 60 1HD1 LEU 60 -7.401 3.190 2.785
449 2HD1 LEU 60 2HD1 LEU 60 -5.922 2.646 3.576
450 3HD1 LEU 60 3HD1 LEU 60 -6.842 1.530 2.567
451 1HD2 LEU 60 1HD2 LEU 60 -4.070 1.718 1.946
452 2HD2 LEU 60 2HD2 LEU 60 -3.903 3.374 2.528
453 3HD2 LEU 60 3HD2 LEU 60 -3.690 3.016 0.815
454 H ARG 61 H ARG 61 -3.783 4.363 -1.117
455 HA ARG 61 HA ARG 61 -2.160 2.266 -2.405
456 1HB ARG 61 2HB ARG 61 -2.609 4.908 -3.182
457 2HB ARG 61 1HB ARG 61 -0.990 4.917 -2.502
458 1HG ARG 61 2HG ARG 61 -1.584 2.712 -4.358
459 2HG ARG 61 1HG ARG 61 -1.537 4.331 -5.062
460 1HD ARG 61 2HD ARG 61 0.647 3.372 -3.247
461 2HD ARG 61 1HD ARG 61 0.643 2.947 -4.957
462 HE ARG 61 HE ARG 61 1.283 5.491 -3.815
463 1HH1 ARG 61 1HH1 ARG 61 0.012 3.910 -6.656
464 2HH1 ARG 61 2HH1 ARG 61 0.463 5.193 -7.726
465 1HH2 ARG 61 1HH2 ARG 61 1.876 7.182 -5.222
466 2HH2 ARG 61 2HH2 ARG 61 1.522 7.051 -6.913
467 H LEU 62 H LEU 62 -0.580 1.381 -1.273
468 HA LEU 62 HA LEU 62 0.263 2.589 1.258
469 1HB LEU 62 2HB LEU 62 0.681 -0.124 0.009
470 2HB LEU 62 1HB LEU 62 1.522 0.378 1.459
471 HG LEU 62 HG LEU 62 -0.348 0.206 2.779
472 1HD1 LEU 62 1HD1 LEU 62 -2.674 0.278 1.910
473 2HD1 LEU 62 2HD1 LEU 62 -2.024 0.634 0.310
474 3HD1 LEU 62 3HD1 LEU 62 -1.770 1.768 1.638
475 1HD2 LEU 62 1HD2 LEU 62 0.105 -2.005 2.047
476 2HD2 LEU 62 2HD2 LEU 62 -0.741 -1.742 0.522
477 3HD2 LEU 62 3HD2 LEU 62 -1.648 -1.812 2.032
478 H ILE 63 H ILE 63 2.369 3.179 1.695
479 HA ILE 63 HA ILE 63 4.165 3.270 -0.641
480 HB ILE 63 HB ILE 63 4.258 5.237 1.625
481 1HG1 ILE 63 2HG1 ILE 63 2.031 5.046 0.109
482 2HG1 ILE 63 1HG1 ILE 63 2.642 6.574 0.726
483 1HG2 ILE 63 1HG2 ILE 63 6.235 5.422 0.483
484 2HG2 ILE 63 2HG2 ILE 63 5.241 6.588 -0.393
485 3HG2 ILE 63 3HG2 ILE 63 5.510 4.978 -1.064
486 1HD1 ILE 63 1HD1 ILE 63 3.489 5.562 -1.954
487 2HD1 ILE 63 2HD1 ILE 63 3.473 7.213 -1.334
488 3HD1 ILE 63 3HD1 ILE 63 1.956 6.409 -1.738
489 H GLY 64 H GLY 64 5.946 2.091 -0.423
490 1HA GLY 64 2HA GLY 64 6.741 1.150 2.216
491 2HA GLY 64 1HA GLY 64 7.385 0.601 0.675
492 H LYS 65 H LYS 65 8.744 1.499 3.171
493 HA LYS 65 HA LYS 65 9.876 4.035 2.860
494 1HB LYS 65 2HB LYS 65 10.823 1.538 4.240
495 2HB LYS 65 1HB LYS 65 11.812 2.991 4.206
496 1HG LYS 65 2HG LYS 65 9.929 4.233 5.234
497 2HG LYS 65 1HG LYS 65 9.059 2.707 5.384
498 1HD LYS 65 2HD LYS 65 10.882 1.821 6.770
499 2HD LYS 65 1HD LYS 65 11.724 3.366 6.638
500 1HE LYS 65 2HE LYS 65 9.245 4.135 7.493
501 2HE LYS 65 1HE LYS 65 9.455 2.591 8.319
502 1HZ LYS 65 1HZ LYS 65 10.358 4.877 9.290
503 2HZ LYS 65 2HZ LYS 65 11.716 4.424 8.390
504 3HZ LYS 65 3HZ LYS 65 11.119 3.396 9.593
505 H VAL 66 H VAL 66 11.525 4.833 1.700
506 HA VAL 66 HA VAL 66 12.495 3.299 -0.520
507 HB VAL 66 HB VAL 66 12.054 5.531 -1.016
508 1HG1 VAL 66 1HG1 VAL 66 13.534 6.167 1.493
509 2HG1 VAL 66 2HG1 VAL 66 11.925 6.681 0.982
510 3HG1 VAL 66 3HG1 VAL 66 13.357 7.388 0.234
511 1HG2 VAL 66 1HG2 VAL 66 14.112 4.738 -2.062
512 2HG2 VAL 66 2HG2 VAL 66 15.042 5.393 -0.714
513 3HG2 VAL 66 3HG2 VAL 66 14.154 6.478 -1.781
514 H ASP 67 H ASP 67 14.742 3.188 -1.095
515 HA ASP 67 HA ASP 67 16.352 2.325 1.178
516 1HB ASP 67 2HB ASP 67 16.740 2.019 -1.805
517 2HB ASP 67 1HB ASP 67 17.878 1.424 -0.601
518 H GLU 68 H GLU 68 16.681 4.536 1.934
519 HA GLU 68 HA GLU 68 18.028 6.492 0.426
520 1HB GLU 68 2HB GLU 68 17.907 6.086 3.418
521 2HB GLU 68 1HB GLU 68 18.529 7.530 2.632
522 1HG GLU 68 2HG GLU 68 16.322 7.895 1.610
523 2HG GLU 68 1HG GLU 68 15.712 6.483 2.471
524 H SER 69 H SER 69 19.159 3.589 1.800
525 HA SER 69 HA SER 69 21.762 4.192 2.536
526 1HB SER 69 2HB SER 69 20.797 1.675 1.163
527 2HB SER 69 1HB SER 69 22.275 1.838 2.112
528 HG SER 69 HG SER 69 20.778 2.505 3.866
529 H LYS 70 H LYS 70 20.330 4.167 -0.586
530 HA LYS 70 HA LYS 70 22.787 3.853 -2.048
531 1HB LYS 70 2HB LYS 70 20.094 4.854 -2.991
532 2HB LYS 70 1HB LYS 70 21.436 4.373 -4.022
533 1HG LYS 70 2HG LYS 70 19.948 2.560 -2.132
534 2HG LYS 70 1HG LYS 70 19.715 2.644 -3.880
535 1HD LYS 70 2HD LYS 70 22.114 2.032 -4.162
536 2HD LYS 70 1HD LYS 70 22.213 1.801 -2.415
537 1HE LYS 70 2HE LYS 70 21.680 -0.327 -2.892
538 2HE LYS 70 1HE LYS 70 20.036 0.298 -3.018
539 1HZ LYS 70 1HZ LYS 70 21.146 -1.097 -4.939
540 2HZ LYS 70 2HZ LYS 70 21.721 0.424 -5.404
541 3HZ LYS 70 3HZ LYS 70 20.056 0.155 -5.270
542 H LYS 71 H LYS 71 20.470 6.563 -2.012
543 HA LYS 71 HA LYS 71 20.761 8.814 -2.129
544 1HB LYS 71 2HB LYS 71 23.173 7.936 -0.592
545 2HB LYS 71 1HB LYS 71 23.040 9.614 -1.101
546 1HG LYS 71 2HG LYS 71 20.573 9.084 0.013
547 2HG LYS 71 1HG LYS 71 21.700 8.209 1.052
548 1HD LYS 71 2HD LYS 71 23.022 10.259 1.329
549 2HD LYS 71 1HD LYS 71 21.878 11.127 0.304
550 1HE LYS 71 2HE LYS 71 20.899 11.662 2.256
551 2HE LYS 71 1HE LYS 71 20.199 10.048 2.131
552 1HZ LYS 71 1HZ LYS 71 22.677 10.753 3.612
553 2HZ LYS 71 2HZ LYS 71 22.016 9.200 3.487
554 3HZ LYS 71 3HZ LYS 71 21.170 10.414 4.306
555 H ARG 72 H ARG 72 20.802 9.035 -4.347
556 HA ARG 72 HA ARG 72 23.368 8.842 -5.729
557 1HB ARG 72 2HB ARG 72 20.558 9.303 -6.739
558 2HB ARG 72 1HB ARG 72 21.979 9.281 -7.773
559 1HG ARG 72 2HG ARG 72 22.209 6.925 -6.387
560 2HG ARG 72 1HG ARG 72 20.466 7.078 -6.619
561 1HD ARG 72 2HD ARG 72 22.398 7.484 -8.878
562 2HD ARG 72 1HD ARG 72 21.825 5.879 -8.434
563 HE ARG 72 HE ARG 72 20.351 7.929 -9.800
564 1HH1 ARG 72 1HH1 ARG 72 20.092 5.093 -7.783
565 2HH1 ARG 72 2HH1 ARG 72 18.484 4.717 -8.303
566 1HH2 ARG 72 1HH2 ARG 72 18.236 7.437 -10.484
567 2HH2 ARG 72 2HH2 ARG 72 17.430 6.048 -9.837
568 H LYS 73 H LYS 73 23.376 10.700 -7.610
569 HA LYS 73 HA LYS 73 23.016 13.260 -6.205
570 1HB LYS 73 2HB LYS 73 25.342 12.528 -7.989
571 2HB LYS 73 1HB LYS 73 25.092 14.079 -7.198
572 1HG LYS 73 2HG LYS 73 24.975 12.201 -5.144
573 2HG LYS 73 1HG LYS 73 26.302 11.673 -6.181
574 1HD LYS 73 2HD LYS 73 26.932 14.231 -6.104
575 2HD LYS 73 1HD LYS 73 25.997 14.184 -4.607
576 1HE LYS 73 2HE LYS 73 27.459 12.684 -3.596
577 2HE LYS 73 1HE LYS 73 28.131 12.152 -5.137
578 1HZ LYS 73 1HZ LYS 73 29.379 13.836 -3.535
579 2HZ LYS 73 2HZ LYS 73 28.500 14.958 -4.446
580 3HZ LYS 73 3HZ LYS 73 29.556 13.884 -5.218
581 H ASP 74 H ASP 74 22.673 15.110 -7.532
582 HA ASP 74 HA ASP 74 21.176 14.474 -9.936
583 1HB ASP 74 2HB ASP 74 20.470 16.131 -8.076
584 2HB ASP 74 1HB ASP 74 21.603 17.244 -8.839
585 H ASN 75 H ASN 75 21.429 16.014 -11.833
586 HA ASN 75 HA ASN 75 23.969 15.721 -12.947
587 1HB ASN 75 2HB ASN 75 21.729 17.597 -13.722
588 2HB ASN 75 1HB ASN 75 23.150 17.284 -14.714
589 1HD2 ASN 75 1HD2 ASN 75 20.564 16.831 -15.598
590 2HD2 ASN 75 2HD2 ASN 75 20.338 15.132 -15.817
591 H GLU 76 H GLU 76 22.758 18.135 -10.830
592 HA GLU 76 HA GLU 76 24.834 20.051 -11.528
593 1HB GLU 76 2HB GLU 76 22.669 20.167 -9.422
594 2HB GLU 76 1HB GLU 76 23.773 21.478 -9.812
595 1HG GLU 76 2HG GLU 76 22.865 21.527 -12.100
596 2HG GLU 76 1HG GLU 76 21.717 20.267 -11.648
597 H GLY 77 H GLY 77 24.980 17.285 -9.919
598 1HA GLY 77 2HA GLY 77 26.793 16.570 -8.616
599 2HA GLY 77 1HA GLY 77 27.135 18.245 -8.212
600 H ASN 78 H ASN 78 24.013 18.258 -7.661
601 HA ASN 78 HA ASN 78 24.260 18.086 -4.848
602 1HB ASN 78 2HB ASN 78 21.750 18.125 -6.538
603 2HB ASN 78 1HB ASN 78 21.833 18.454 -4.811
604 1HD2 ASN 78 1HD2 ASN 78 21.311 19.959 -7.520
605 2HD2 ASN 78 2HD2 ASN 78 22.103 21.471 -7.248
606 H GLU 79 H GLU 79 22.488 16.751 -3.614
607 HA GLU 79 HA GLU 79 22.948 13.957 -4.344
608 1HB GLU 79 2HB GLU 79 21.918 15.165 -1.769
609 2HB GLU 79 1HB GLU 79 22.251 13.458 -2.033
610 1HG GLU 79 2HG GLU 79 24.617 14.008 -2.433
611 2HG GLU 79 1HG GLU 79 24.259 15.699 -2.081
612 H VAL 80 H VAL 80 21.158 12.402 -3.928
613 HA VAL 80 HA VAL 80 18.504 13.547 -4.426
614 HB VAL 80 HB VAL 80 19.525 11.157 -5.870
615 1HG1 VAL 80 1HG1 VAL 80 16.951 12.623 -5.855
616 2HG1 VAL 80 2HG1 VAL 80 17.255 10.882 -5.902
617 3HG1 VAL 80 3HG1 VAL 80 17.487 11.863 -7.353
618 1HG2 VAL 80 1HG2 VAL 80 19.617 12.577 -7.885
619 2HG2 VAL 80 2HG2 VAL 80 20.775 13.069 -6.649
620 3HG2 VAL 80 3HG2 VAL 80 19.281 13.980 -6.871
621 H VAL 81 H VAL 81 16.760 12.153 -3.988
622 HA VAL 81 HA VAL 81 17.369 9.913 -2.182
623 HB VAL 81 HB VAL 81 14.973 11.725 -1.870
624 1HG1 VAL 81 1HG1 VAL 81 16.104 9.405 -0.378
625 2HG1 VAL 81 2HG1 VAL 81 14.430 9.764 -0.805
626 3HG1 VAL 81 3HG1 VAL 81 15.215 10.646 0.506
627 1HG2 VAL 81 1HG2 VAL 81 17.091 12.971 -1.493
628 2HG2 VAL 81 2HG2 VAL 81 17.506 11.805 -0.236
629 3HG2 VAL 81 3HG2 VAL 81 16.085 12.834 -0.051
630 HA PRO 82 HA PRO 82 15.300 8.126 -5.823
631 1HB PRO 82 2HB PRO 82 15.521 5.817 -3.923
632 2HB PRO 82 1HB PRO 82 15.822 5.870 -5.665
633 1HG PRO 82 2HG PRO 82 17.845 5.900 -3.927
634 2HG PRO 82 1HG PRO 82 17.898 6.867 -5.411
635 1HD PRO 82 2HD PRO 82 17.500 7.737 -2.603
636 2HD PRO 82 1HD PRO 82 18.203 8.620 -3.972
637 H LYS 83 H LYS 83 13.262 6.897 -6.101
638 HA LYS 83 HA LYS 83 11.266 7.864 -4.241
639 1HB LYS 83 2HB LYS 83 10.887 6.234 -6.760
640 2HB LYS 83 1HB LYS 83 9.637 7.102 -5.879
641 1HG LYS 83 2HG LYS 83 10.256 9.121 -6.706
642 2HG LYS 83 1HG LYS 83 11.958 8.672 -6.834
643 1HD LYS 83 2HD LYS 83 10.132 7.181 -8.594
644 2HD LYS 83 1HD LYS 83 10.274 8.903 -8.946
645 1HE LYS 83 2HE LYS 83 12.811 7.500 -8.434
646 2HE LYS 83 1HE LYS 83 11.957 7.010 -9.896
647 1HZ LYS 83 1HZ LYS 83 13.623 9.072 -9.800
648 2HZ LYS 83 2HZ LYS 83 12.177 9.872 -9.446
649 3HZ LYS 83 3HZ LYS 83 12.323 8.986 -10.879
650 HA PRO 84 HA PRO 84 10.964 4.090 -1.985
651 1HB PRO 84 2HB PRO 84 8.407 5.065 -0.988
652 2HB PRO 84 1HB PRO 84 9.935 4.848 -0.128
653 1HG PRO 84 2HG PRO 84 8.968 7.277 -0.656
654 2HG PRO 84 1HG PRO 84 10.704 6.959 -0.695
655 1HD PRO 84 2HD PRO 84 8.763 7.090 -2.981
656 2HD PRO 84 1HD PRO 84 10.344 7.886 -2.803
657 H GLN 85 H GLN 85 9.479 2.265 -1.616
658 HA GLN 85 HA GLN 85 8.244 1.410 -4.010
659 1HB GLN 85 2HB GLN 85 8.537 0.340 -1.254
660 2HB GLN 85 1HB GLN 85 7.243 -0.335 -2.235
661 1HG GLN 85 2HG GLN 85 8.798 -1.747 -2.972
662 2HG GLN 85 1HG GLN 85 9.341 -0.397 -3.968
663 1HE2 GLN 85 1HE2 GLN 85 11.429 -0.044 -3.881
664 2HE2 GLN 85 2HE2 GLN 85 12.467 -0.352 -2.534
665 H ARG 86 H ARG 86 5.993 0.849 -4.333
666 HA ARG 86 HA ARG 86 4.054 2.139 -2.587
667 1HB ARG 86 2HB ARG 86 4.275 2.845 -5.519
668 2HB ARG 86 1HB ARG 86 3.011 3.388 -4.424
669 1HG ARG 86 2HG ARG 86 4.758 4.517 -3.065
670 2HG ARG 86 1HG ARG 86 5.936 4.079 -4.303
671 1HD ARG 86 2HD ARG 86 3.486 5.792 -4.691
672 2HD ARG 86 1HD ARG 86 5.153 6.358 -4.629
673 HE ARG 86 HE ARG 86 4.790 4.399 -6.660
674 1HH1 ARG 86 1HH1 ARG 86 4.263 7.769 -5.919
675 2HH1 ARG 86 2HH1 ARG 86 4.304 8.269 -7.576
676 1HH2 ARG 86 1HH2 ARG 86 4.845 5.055 -8.841
677 2HH2 ARG 86 2HH2 ARG 86 4.635 6.729 -9.235
678 H HIS 87 H HIS 87 2.186 1.025 -2.483
679 HA HIS 87 HA HIS 87 1.742 -1.086 -4.493
680 1HB HIS 87 2HB HIS 87 0.798 -1.133 -1.622
681 2HB HIS 87 1HB HIS 87 0.729 -2.449 -2.787
682 HD1 HIS 87 HD1 HIS 87 2.850 -3.832 -3.138
683 HD2 HIS 87 HD2 HIS 87 3.343 -0.671 -0.485
684 HE1 HIS 87 HE1 HIS 87 5.066 -4.233 -2.018
685 HE2 HIS 87 HE2 HIS 87 5.307 -2.350 -0.360
686 H MET 88 H MET 88 -0.530 -1.642 -4.897
687 HA MET 88 HA MET 88 -2.340 0.630 -4.406
688 1HB MET 88 2HB MET 88 -1.504 0.611 -6.738
689 2HB MET 88 1HB MET 88 -2.177 -1.000 -6.945
690 1HG MET 88 2HG MET 88 -4.421 -0.084 -6.482
691 2HG MET 88 1HG MET 88 -3.713 1.527 -6.386
692 1HE MET 88 1HE MET 88 -5.267 2.453 -9.327
693 2HE MET 88 2HE MET 88 -5.722 1.800 -7.754
694 3HE MET 88 3HE MET 88 -6.083 0.893 -9.222
695 H PHE 89 H PHE 89 -4.450 0.180 -3.948
696 HA PHE 89 HA PHE 89 -5.459 -2.531 -4.136
697 1HB PHE 89 2HB PHE 89 -5.117 -1.136 -1.475
698 2HB PHE 89 1HB PHE 89 -6.101 -2.576 -1.718
699 HD1 PHE 89 HD1 PHE 89 -2.688 -1.247 -1.620
700 HD2 PHE 89 HD2 PHE 89 -5.097 -4.730 -2.019
701 HE1 PHE 89 HE1 PHE 89 -0.703 -2.656 -1.255
702 HE2 PHE 89 HE2 PHE 89 -3.119 -6.146 -1.653
703 HZ PHE 89 HZ PHE 89 -0.918 -5.109 -1.269
704 H SER 90 H SER 90 -7.529 -2.442 -4.741
705 HA SER 90 HA SER 90 -8.958 0.097 -4.397
706 1HB SER 90 2HB SER 90 -8.945 -0.471 -6.677
707 2HB SER 90 1HB SER 90 -9.248 -2.177 -6.347
708 HG SER 90 HG SER 90 -11.098 -0.089 -5.822
709 H PHE 91 H PHE 91 -10.967 0.224 -3.462
710 HA PHE 91 HA PHE 91 -12.029 -2.233 -2.239
711 1HB PHE 91 2HB PHE 91 -11.882 0.466 -0.883
712 2HB PHE 91 1HB PHE 91 -12.541 -1.013 -0.193
713 HD1 PHE 91 HD1 PHE 91 -11.138 -2.625 0.814
714 HD2 PHE 91 HD2 PHE 91 -9.447 0.646 -1.316
715 HE1 PHE 91 HE1 PHE 91 -8.924 -3.178 1.733
716 HE2 PHE 91 HE2 PHE 91 -7.230 0.098 -0.403
717 HZ PHE 91 HZ PHE 91 -6.964 -1.817 1.122
718 H ASN 92 H ASN 92 -14.325 -1.767 -1.345
719 HA ASN 92 HA ASN 92 -15.763 0.044 -3.157
720 1HB ASN 92 2HB ASN 92 -16.608 -2.786 -2.502
721 2HB ASN 92 1HB ASN 92 -17.501 -1.641 -3.501
722 1HD2 ASN 92 1HD2 ASN 92 -16.128 -4.323 -3.947
723 2HD2 ASN 92 2HD2 ASN 92 -15.197 -4.071 -5.381
724 H ASN 93 H ASN 93 -14.970 0.081 -0.250
725 HA ASN 93 HA ASN 93 -17.539 0.962 0.745
726 1HB ASN 93 2HB ASN 93 -16.015 -1.272 2.102
727 2HB ASN 93 1HB ASN 93 -17.346 -0.386 2.840
728 1HD2 ASN 93 1HD2 ASN 93 -16.711 -3.218 1.611
729 2HD2 ASN 93 2HD2 ASN 93 -18.194 -3.596 0.810
730 H ARG 94 H ARG 94 -17.125 2.907 1.547
731 HA ARG 94 HA ARG 94 -14.590 3.904 2.134
732 1HB ARG 94 2HB ARG 94 -17.269 4.862 3.150
733 2HB ARG 94 1HB ARG 94 -15.772 5.785 3.219
734 1HG ARG 94 2HG ARG 94 -15.943 5.112 0.565
735 2HG ARG 94 1HG ARG 94 -17.628 5.388 1.012
736 1HD ARG 94 2HD ARG 94 -16.798 7.548 2.095
737 2HD ARG 94 1HD ARG 94 -15.302 7.281 1.198
738 HE ARG 94 HE ARG 94 -16.373 7.950 -0.707
739 1HH1 ARG 94 1HH1 ARG 94 -18.772 7.178 1.706
740 2HH1 ARG 94 2HH1 ARG 94 -20.096 7.765 0.759
741 1HH2 ARG 94 1HH2 ARG 94 -18.113 8.724 -1.956
742 2HH2 ARG 94 2HH2 ARG 94 -19.722 8.643 -1.321
743 H THR 95 H THR 95 -16.894 2.225 4.123
744 HA THR 95 HA THR 95 -15.812 2.817 6.637
745 HB THR 95 HB THR 95 -17.061 0.210 6.248
746 HG1 THR 95 HG1 THR 95 -18.408 2.584 5.531
747 1HG2 THR 95 1HG2 THR 95 -16.836 1.305 8.449
748 2HG2 THR 95 2HG2 THR 95 -18.498 0.893 8.024
749 3HG2 THR 95 3HG2 THR 95 -17.936 2.558 7.876
750 H VAL 96 H VAL 96 -15.477 -0.071 4.580
751 HA VAL 96 HA VAL 96 -13.551 -1.357 6.177
752 HB VAL 96 HB VAL 96 -13.940 -1.606 3.187
753 1HG1 VAL 96 1HG1 VAL 96 -13.144 -4.048 4.042
754 2HG1 VAL 96 2HG1 VAL 96 -12.236 -3.003 5.135
755 3HG1 VAL 96 3HG1 VAL 96 -12.056 -2.821 3.390
756 1HG2 VAL 96 1HG2 VAL 96 -15.227 -3.094 5.472
757 2HG2 VAL 96 2HG2 VAL 96 -15.348 -3.560 3.775
758 3HG2 VAL 96 3HG2 VAL 96 -16.025 -2.025 4.318
759 H MET 97 H MET 97 -13.301 0.968 3.556
760 HA MET 97 HA MET 97 -10.476 0.839 3.279
761 1HB MET 97 2HB MET 97 -12.600 2.130 1.973
762 2HB MET 97 1HB MET 97 -11.574 3.423 2.576
763 1HG MET 97 2HG MET 97 -9.641 2.125 1.517
764 2HG MET 97 1HG MET 97 -10.892 1.231 0.661
765 1HE MET 97 1HE MET 97 -10.253 5.774 0.310
766 2HE MET 97 2HE MET 97 -9.605 4.732 1.577
767 3HE MET 97 3HE MET 97 -11.328 5.114 1.543
768 H ASP 98 H ASP 98 -12.675 2.661 5.298
769 HA ASP 98 HA ASP 98 -10.744 4.527 6.246
770 1HB ASP 98 2HB ASP 98 -13.204 4.926 6.288
771 2HB ASP 98 1HB ASP 98 -13.344 3.703 7.549
772 H ASN 99 H ASN 99 -11.612 1.298 7.099
773 HA ASN 99 HA ASN 99 -10.415 1.394 9.723
774 1HB ASN 99 2HB ASN 99 -11.346 -0.962 8.068
775 2HB ASN 99 1HB ASN 99 -10.836 -1.045 9.752
776 1HD2 ASN 99 1HD2 ASN 99 -13.446 -1.412 8.160
777 2HD2 ASN 99 2HD2 ASN 99 -14.607 -0.556 9.112
778 H ILE 100 H ILE 100 -9.602 -0.182 6.630
779 HA ILE 100 HA ILE 100 -7.184 -1.328 7.358
780 HB ILE 100 HB ILE 100 -7.925 -0.122 4.687
781 1HG1 ILE 100 2HG1 ILE 100 -9.430 -1.926 5.662
782 2HG1 ILE 100 1HG1 ILE 100 -8.750 -2.261 4.072
783 1HG2 ILE 100 1HG2 ILE 100 -5.575 -0.411 4.686
784 2HG2 ILE 100 2HG2 ILE 100 -6.248 -1.786 3.809
785 3HG2 ILE 100 3HG2 ILE 100 -5.698 -1.985 5.473
786 1HD1 ILE 100 1HD1 ILE 100 -7.278 -3.237 6.457
787 2HD1 ILE 100 2HD1 ILE 100 -7.426 -3.941 4.840
788 3HD1 ILE 100 3HD1 ILE 100 -8.765 -4.067 5.984
789 H LYS 101 H LYS 101 -7.738 1.865 5.906
790 HA LYS 101 HA LYS 101 -5.079 2.731 5.935
791 1HB LYS 101 2HB LYS 101 -7.166 3.740 4.783
792 2HB LYS 101 1HB LYS 101 -7.409 4.588 6.303
793 1HG LYS 101 2HG LYS 101 -4.739 5.031 5.674
794 2HG LYS 101 1HG LYS 101 -5.593 5.162 4.136
795 1HD LYS 101 2HD LYS 101 -6.226 6.660 6.677
796 2HD LYS 101 1HD LYS 101 -5.484 7.329 5.221
797 1HE LYS 101 2HE LYS 101 -7.460 7.573 4.203
798 2HE LYS 101 1HE LYS 101 -8.006 5.969 4.690
799 1HZ LYS 101 1HZ LYS 101 -8.977 6.769 6.567
800 2HZ LYS 101 2HZ LYS 101 -9.145 8.140 5.590
801 3HZ LYS 101 3HZ LYS 101 -7.900 8.063 6.732
802 H MET 102 H MET 102 -7.476 2.581 8.416
803 HA MET 102 HA MET 102 -6.135 4.366 10.222
804 1HB MET 102 2HB MET 102 -8.198 4.404 11.075
805 2HB MET 102 1HB MET 102 -8.674 3.039 10.080
806 1HG MET 102 2HG MET 102 -7.774 1.515 11.795
807 2HG MET 102 1HG MET 102 -7.414 2.913 12.806
808 1HE MET 102 1HE MET 102 -10.972 4.418 13.333
809 2HE MET 102 2HE MET 102 -10.565 4.432 11.618
810 3HE MET 102 3HE MET 102 -9.332 4.815 12.819
811 H THR 103 H THR 103 -6.506 0.855 9.895
812 HA THR 103 HA THR 103 -4.999 0.232 12.219
813 HB THR 103 HB THR 103 -6.460 -1.172 10.200
814 HG1 THR 103 HG1 THR 103 -5.431 -1.851 12.748
815 1HG2 THR 103 1HG2 THR 103 -5.137 -3.250 10.201
816 2HG2 THR 103 2HG2 THR 103 -3.787 -2.335 10.876
817 3HG2 THR 103 3HG2 THR 103 -4.408 -1.935 9.274
818 H LEU 104 H LEU 104 -4.172 0.387 8.775
819 HA LEU 104 HA LEU 104 -1.555 -0.556 8.978
820 1HB LEU 104 2HB LEU 104 -3.010 1.182 7.043
821 2HB LEU 104 1HB LEU 104 -1.263 1.077 6.920
822 HG LEU 104 HG LEU 104 -3.128 -1.295 6.826
823 1HD1 LEU 104 1HD1 LEU 104 -3.210 0.413 4.902
824 2HD1 LEU 104 2HD1 LEU 104 -2.977 -1.290 4.507
825 3HD1 LEU 104 3HD1 LEU 104 -1.601 -0.187 4.501
826 1HD2 LEU 104 1HD2 LEU 104 -1.327 -2.620 6.766
827 2HD2 LEU 104 2HD2 LEU 104 -0.471 -1.247 7.469
828 3HD2 LEU 104 3HD2 LEU 104 -0.429 -1.515 5.727
829 H GLN 105 H GLN 105 -2.871 2.685 9.431
830 HA GLN 105 HA GLN 105 -0.423 4.054 9.611
831 1HB GLN 105 2HB GLN 105 -3.219 4.634 10.068
832 2HB GLN 105 1HB GLN 105 -2.213 5.394 11.294
833 1HG GLN 105 2HG GLN 105 -1.306 6.851 9.841
834 2HG GLN 105 1HG GLN 105 -1.275 5.683 8.521
835 1HE2 GLN 105 1HE2 GLN 105 -1.965 7.830 7.499
836 2HE2 GLN 105 2HE2 GLN 105 -3.667 8.079 7.353
837 H GLN 106 H GLN 106 -2.179 2.120 11.884
838 HA GLN 106 HA GLN 106 -0.893 3.039 14.240
839 1HB GLN 106 2HB GLN 106 -2.293 0.434 13.618
840 2HB GLN 106 1HB GLN 106 -1.717 0.879 15.220
841 1HG GLN 106 2HG GLN 106 -3.190 2.845 15.181
842 2HG GLN 106 1HG GLN 106 -3.795 2.340 13.604
843 1HE2 GLN 106 1HE2 GLN 106 -5.681 1.381 13.706
844 2HE2 GLN 106 2HE2 GLN 106 -6.255 0.379 14.990
845 H ILE 107 H ILE 107 -0.171 0.512 11.898
846 HA ILE 107 HA ILE 107 1.929 -0.692 13.378
847 HB ILE 107 HB ILE 107 1.442 -0.718 10.396
848 1HG1 ILE 107 2HG1 ILE 107 0.851 -3.173 11.806
849 2HG1 ILE 107 1HG1 ILE 107 -0.065 -1.834 12.491
850 1HG2 ILE 107 1HG2 ILE 107 3.308 -2.272 12.155
851 2HG2 ILE 107 2HG2 ILE 107 3.657 -1.404 10.660
852 3HG2 ILE 107 3HG2 ILE 107 2.749 -2.914 10.612
853 1HD1 ILE 107 1HD1 ILE 107 -0.904 -3.295 10.419
854 2HD1 ILE 107 2HD1 ILE 107 -0.043 -2.023 9.552
855 3HD1 ILE 107 3HD1 ILE 107 -1.350 -1.605 10.658
856 H ILE 108 H ILE 108 1.894 1.771 10.823
857 HA ILE 108 HA ILE 108 4.678 2.059 10.571
858 HB ILE 108 HB ILE 108 2.883 4.447 10.365
859 1HG1 ILE 108 2HG1 ILE 108 3.139 2.619 8.017
860 2HG1 ILE 108 1HG1 ILE 108 1.929 2.264 9.241
861 1HG2 ILE 108 1HG2 ILE 108 5.102 4.981 9.914
862 2HG2 ILE 108 2HG2 ILE 108 4.382 4.777 8.316
863 3HG2 ILE 108 3HG2 ILE 108 5.377 3.494 9.008
864 1HD1 ILE 108 1HD1 ILE 108 1.299 4.774 8.916
865 2HD1 ILE 108 2HD1 ILE 108 0.714 3.539 7.799
866 3HD1 ILE 108 3HD1 ILE 108 2.092 4.547 7.356
867 H SER 109 H SER 109 2.392 4.090 12.275
868 HA SER 109 HA SER 109 4.145 5.682 13.683
869 1HB SER 109 2HB SER 109 1.659 5.969 13.587
870 2HB SER 109 1HB SER 109 1.511 4.663 14.762
871 HG SER 109 HG SER 109 2.133 7.272 15.155
872 H ARG 110 H ARG 110 3.242 2.379 14.288
873 HA ARG 110 HA ARG 110 4.179 2.232 16.960
874 1HB ARG 110 2HB ARG 110 3.381 0.290 14.868
875 2HB ARG 110 1HB ARG 110 4.430 -0.316 16.142
876 1HG ARG 110 2HG ARG 110 2.833 0.353 17.828
877 2HG ARG 110 1HG ARG 110 1.798 1.073 16.595
878 1HD ARG 110 2HD ARG 110 1.587 -1.170 15.545
879 2HD ARG 110 1HD ARG 110 2.498 -1.844 16.896
880 HE ARG 110 HE ARG 110 0.181 -0.342 17.697
881 1HH1 ARG 110 1HH1 ARG 110 1.358 -3.469 16.689
882 2HH1 ARG 110 2HH1 ARG 110 0.062 -4.337 17.442
883 1HH2 ARG 110 1HH2 ARG 110 -1.522 -1.482 18.687
884 2HH2 ARG 110 2HH2 ARG 110 -1.573 -3.210 18.575
885 H TYR 111 H TYR 111 5.674 1.886 13.844
886 HA TYR 111 HA TYR 111 8.254 1.283 15.122
887 1HB TYR 111 2HB TYR 111 7.562 1.103 12.186
888 2HB TYR 111 1HB TYR 111 9.015 0.495 12.973
889 HD1 TYR 111 HD1 TYR 111 6.314 -0.667 11.400
890 HD2 TYR 111 HD2 TYR 111 8.096 -0.971 15.249
891 HE1 TYR 111 HE1 TYR 111 5.215 -2.840 11.729
892 HE2 TYR 111 HE2 TYR 111 7.003 -3.147 15.591
893 HH TYR 111 HH TYR 111 6.088 -5.041 13.847
894 H LYS 112 H LYS 112 6.528 3.881 14.126
895 HA LYS 112 HA LYS 112 8.884 5.348 13.154
896 1HB LYS 112 2HB LYS 112 6.884 5.296 11.670
897 2HB LYS 112 1HB LYS 112 5.969 6.112 12.930
898 1HG LYS 112 2HG LYS 112 8.488 7.382 12.024
899 2HG LYS 112 1HG LYS 112 7.103 7.421 10.930
900 1HD LYS 112 2HD LYS 112 6.596 8.120 13.758
901 2HD LYS 112 1HD LYS 112 7.532 9.278 12.810
902 1HE LYS 112 2HE LYS 112 5.136 8.219 11.473
903 2HE LYS 112 1HE LYS 112 4.818 9.197 12.906
904 1HZ LYS 112 1HZ LYS 112 4.899 10.804 11.316
905 2HZ LYS 112 2HZ LYS 112 6.020 9.980 10.354
906 3HZ LYS 112 3HZ LYS 112 6.535 10.779 11.752
907 H ASP 113 H ASP 113 6.350 5.279 15.571
908 HA ASP 113 HA ASP 113 6.757 7.821 16.692
909 1HB ASP 113 2HB ASP 113 5.660 5.243 17.794
910 2HB ASP 113 1HB ASP 113 5.814 6.676 18.805
911 H ALA 114 H ALA 114 8.359 4.736 17.218
912 HA ALA 114 HA ALA 114 9.815 5.414 19.521
913 1HB ALA 114 1HB ALA 114 11.449 3.630 18.350
914 2HB ALA 114 2HB ALA 114 9.964 3.318 17.451
915 3HB ALA 114 3HB ALA 114 9.976 3.184 19.209
916 H ASP 115 H ASP 115 10.406 6.007 16.115
917 HA ASP 115 HA ASP 115 12.929 7.356 16.811
918 1HB ASP 115 2HB ASP 115 11.966 6.227 14.174
919 2HB ASP 115 1HB ASP 115 13.441 7.173 14.361
920 H LEU 45 1H LEU 45 -2.615 1.131 -19.276
921 HA LEU 45 HA LEU 45 -3.672 3.872 -19.471
922 1HB LEU 45 2HB LEU 45 -4.663 1.931 -17.961
923 2HB LEU 45 1HB LEU 45 -3.288 2.328 -16.948
924 HG LEU 45 HG LEU 45 -4.069 4.610 -16.702
925 1HD1 LEU 45 1HD1 LEU 45 -6.535 4.920 -17.614
926 2HD1 LEU 45 2HD1 LEU 45 -5.957 3.786 -18.835
927 3HD1 LEU 45 3HD1 LEU 45 -5.121 5.320 -18.588
928 1HD2 LEU 45 1HD2 LEU 45 -6.500 3.923 -15.824
929 2HD2 LEU 45 2HD2 LEU 45 -5.015 3.499 -14.973
930 3HD2 LEU 45 3HD2 LEU 45 -5.800 2.316 -16.018
931 H SER 46 H SER 46 -2.549 5.266 -17.802
932 HA SER 46 HA SER 46 0.334 4.655 -17.762
933 1HB SER 46 2HB SER 46 -1.142 7.119 -18.519
934 2HB SER 46 1HB SER 46 0.353 7.337 -17.611
935 HG SER 46 HG SER 46 1.060 7.240 -19.642
936 HA PRO 47 HA PRO 47 0.547 5.183 -13.403
937 1HB PRO 47 2HB PRO 47 2.549 7.056 -13.100
938 2HB PRO 47 1HB PRO 47 2.817 5.333 -13.374
939 1HG PRO 47 2HG PRO 47 2.884 7.598 -15.322
940 2HG PRO 47 1HG PRO 47 3.942 6.179 -15.213
941 1HD PRO 47 2HD PRO 47 1.983 6.337 -17.041
942 2HD PRO 47 1HD PRO 47 2.404 4.797 -16.262
943 H ASP 48 H ASP 48 0.576 8.210 -15.232
944 HA ASP 48 HA ASP 48 -0.151 9.943 -13.162
945 1HB ASP 48 2HB ASP 48 -0.905 11.467 -14.944
946 2HB ASP 48 1HB ASP 48 0.661 10.753 -15.318
947 H ASP 49 H ASP 49 -1.958 7.503 -14.708
948 HA ASP 49 HA ASP 49 -4.542 8.663 -14.321
949 1HB ASP 49 2HB ASP 49 -3.771 6.797 -15.997
950 2HB ASP 49 1HB ASP 49 -4.121 5.719 -14.648
951 H ILE 50 H ILE 50 -2.533 6.322 -12.607
952 HA ILE 50 HA ILE 50 -4.502 5.643 -10.673
953 HB ILE 50 HB ILE 50 -1.517 5.360 -10.378
954 1HG1 ILE 50 2HG1 ILE 50 -2.194 4.343 -12.481
955 2HG1 ILE 50 1HG1 ILE 50 -1.835 3.082 -11.306
956 1HG2 ILE 50 1HG2 ILE 50 -2.807 5.029 -8.327
957 2HG2 ILE 50 2HG2 ILE 50 -2.084 3.519 -8.886
958 3HG2 ILE 50 3HG2 ILE 50 -3.801 3.825 -9.147
959 1HD1 ILE 50 1HD1 ILE 50 -4.295 3.668 -12.714
960 2HD1 ILE 50 2HD1 ILE 50 -4.533 3.512 -10.973
961 3HD1 ILE 50 3HD1 ILE 50 -3.786 2.198 -11.883
962 H GLU 51 H GLU 51 -2.101 8.139 -10.897
963 HA GLU 51 HA GLU 51 -2.220 8.861 -8.119
964 1HB GLU 51 2HB GLU 51 -0.792 10.711 -8.706
965 2HB GLU 51 1HB GLU 51 -0.217 9.269 -9.532
966 1HG GLU 51 2HG GLU 51 -1.331 10.023 -11.584
967 2HG GLU 51 1HG GLU 51 -1.847 11.487 -10.749
968 H GLN 52 H GLN 52 -3.965 9.698 -10.998
969 HA GLN 52 HA GLN 52 -4.994 12.189 -10.257
970 1HB GLN 52 2HB GLN 52 -6.000 12.030 -12.247
971 2HB GLN 52 1HB GLN 52 -5.304 10.426 -12.397
972 1HG GLN 52 2HG GLN 52 -7.312 9.445 -11.441
973 2HG GLN 52 1HG GLN 52 -8.008 11.050 -11.229
974 1HE2 GLN 52 1HE2 GLN 52 -7.295 8.509 -13.442
975 2HE2 GLN 52 2HE2 GLN 52 -8.121 9.172 -14.807
976 H TRP 53 H TRP 53 -5.865 8.963 -9.271
977 HA TRP 53 HA TRP 53 -8.416 9.492 -8.214
978 1HB TRP 53 2HB TRP 53 -6.344 7.412 -7.507
979 2HB TRP 53 1HB TRP 53 -7.953 7.446 -6.792
980 HD1 TRP 53 HD1 TRP 53 -6.827 7.783 -10.500
981 HE1 TRP 53 HE1 TRP 53 -8.174 6.088 -11.888
982 HE3 TRP 53 HE3 TRP 53 -9.493 5.589 -6.730
983 HZ2 TRP 53 HZ2 TRP 53 -10.112 4.083 -11.443
984 HZ3 TRP 53 HZ3 TRP 53 -11.072 3.789 -7.296
985 HH2 TRP 53 HH2 TRP 53 -11.375 3.053 -9.605
986 H PHE 54 H PHE 54 -5.187 9.877 -6.893
987 HA PHE 54 HA PHE 54 -6.300 10.758 -4.330
988 1HB PHE 54 2HB PHE 54 -3.422 10.269 -5.117
989 2HB PHE 54 1HB PHE 54 -4.004 10.635 -3.497
990 HD1 PHE 54 HD1 PHE 54 -5.498 8.988 -2.341
991 HD2 PHE 54 HD2 PHE 54 -3.430 8.075 -5.946
992 HE1 PHE 54 HE1 PHE 54 -5.817 6.585 -1.911
993 HE2 PHE 54 HE2 PHE 54 -3.744 5.671 -5.522
994 HZ PHE 54 HZ PHE 54 -4.939 4.924 -3.503
995 H THR 55 H THR 55 -5.604 12.140 -7.222
996 HA THR 55 HA THR 55 -4.094 14.407 -6.515
997 HB THR 55 HB THR 55 -5.549 13.434 -8.817
998 HG1 THR 55 HG1 THR 55 -3.774 14.183 -9.831
999 1HG2 THR 55 1HG2 THR 55 -6.928 15.322 -8.777
1000 2HG2 THR 55 2HG2 THR 55 -5.628 15.712 -9.905
1001 3HG2 THR 55 3HG2 THR 55 -5.606 16.372 -8.269
1002 H GLU 56 H GLU 56 -7.501 13.659 -6.328
1003 HA GLU 56 HA GLU 56 -8.518 16.247 -5.991
1004 1HB GLU 56 2HB GLU 56 -9.509 13.625 -4.855
1005 2HB GLU 56 1HB GLU 56 -10.429 15.123 -4.855
1006 1HG GLU 56 2HG GLU 56 -9.472 13.645 -7.296
1007 2HG GLU 56 1HG GLU 56 -11.116 13.645 -6.660
1008 H ASP 57 H ASP 57 -8.645 17.617 -4.300
1009 HA ASP 57 HA ASP 57 -8.003 16.710 -1.615
1010 1HB ASP 57 2HB ASP 57 -5.914 17.594 -3.080
1011 2HB ASP 57 1HB ASP 57 -6.491 19.125 -2.430
1012 HA PRO 58 HA PRO 58 -11.328 19.899 -1.695
1013 1HB PRO 58 2HB PRO 58 -12.776 18.778 0.309
1014 2HB PRO 58 1HB PRO 58 -12.918 18.269 -1.377
1015 1HG PRO 58 2HG PRO 58 -11.370 17.015 0.857
1016 2HG PRO 58 1HG PRO 58 -12.372 16.239 -0.382
1017 1HD PRO 58 2HD PRO 58 -9.672 16.329 -0.545
1018 2HD PRO 58 1HD PRO 58 -10.716 16.360 -1.981
Start of MODEL 18
1 HT1 PRO 1 HT2 PRO 1 -13.274 -6.094 8.220
2 HT2 PRO 1 HT1 PRO 1 -12.842 -7.006 9.596
3 HA PRO 1 HA PRO 1 -12.882 -4.261 9.228
4 1HB PRO 1 2HB PRO 1 -14.194 -4.306 11.681
5 2HB PRO 1 1HB PRO 1 -14.885 -3.770 10.146
6 1HG PRO 1 2HG PRO 1 -15.166 -6.387 11.537
7 2HG PRO 1 1HG PRO 1 -16.339 -5.515 10.535
8 1HD PRO 1 2HD PRO 1 -14.978 -7.690 9.639
9 2HD PRO 1 1HD PRO 1 -15.475 -6.366 8.566
10 H SER 2 H SER 2 -11.423 -3.321 10.678
11 HA SER 2 HA SER 2 -9.607 -3.253 12.046
12 1HB SER 2 2HB SER 2 -11.466 -3.845 13.697
13 2HB SER 2 1HB SER 2 -10.874 -5.502 13.608
14 HG SER 2 HG SER 2 -9.367 -3.225 14.385
15 H HIS 3 H HIS 3 -7.815 -3.911 11.048
16 HA HIS 3 HA HIS 3 -6.093 -5.227 10.369
17 1HB HIS 3 2HB HIS 3 -7.333 -7.205 12.291
18 2HB HIS 3 1HB HIS 3 -5.744 -7.378 11.555
19 HD1 HIS 3 HD1 HIS 3 -7.614 -5.223 14.011
20 HD2 HIS 3 HD2 HIS 3 -3.722 -5.948 12.754
21 HE1 HIS 3 HE1 HIS 3 -6.150 -3.976 15.624
22 HE2 HIS 3 HE2 HIS 3 -3.792 -4.526 14.919
23 H SER 4 H SER 4 -8.529 -5.176 8.893
24 HA SER 4 HA SER 4 -7.988 -7.051 6.936
25 1HB SER 4 2HB SER 4 -9.949 -8.573 7.122
26 2HB SER 4 1HB SER 4 -8.785 -8.780 8.436
27 HG SER 4 HG SER 4 -10.272 -8.205 9.800
28 H GLY 5 H GLY 5 -9.889 -7.283 5.355
29 1HA GLY 5 2HA GLY 5 -12.151 -5.862 5.198
30 2HA GLY 5 1HA GLY 5 -10.941 -4.609 4.953
31 H ALA 6 H ALA 6 -12.966 -6.633 3.428
32 HA ALA 6 HA ALA 6 -11.659 -7.845 1.376
33 1HB ALA 6 1HB ALA 6 -13.726 -7.443 0.026
34 2HB ALA 6 2HB ALA 6 -14.307 -6.447 1.361
35 3HB ALA 6 3HB ALA 6 -13.975 -8.161 1.617
36 H ALA 7 H ALA 7 -10.065 -7.070 0.203
37 HA ALA 7 HA ALA 7 -10.385 -4.403 -1.030
38 1HB ALA 7 1HB ALA 7 -8.189 -3.857 -0.611
39 2HB ALA 7 2HB ALA 7 -7.681 -5.541 -0.488
40 3HB ALA 7 3HB ALA 7 -8.584 -4.793 0.832
41 H ILE 8 H ILE 8 -9.463 -4.106 -3.130
42 HA ILE 8 HA ILE 8 -9.302 -6.608 -4.651
43 HB ILE 8 HB ILE 8 -10.095 -3.831 -5.383
44 1HG1 ILE 8 2HG1 ILE 8 -11.410 -5.846 -6.876
45 2HG1 ILE 8 1HG1 ILE 8 -11.266 -6.438 -5.225
46 1HG2 ILE 8 1HG2 ILE 8 -9.870 -4.318 -7.776
47 2HG2 ILE 8 2HG2 ILE 8 -8.975 -5.781 -7.379
48 3HG2 ILE 8 3HG2 ILE 8 -8.310 -4.203 -6.961
49 1HD1 ILE 8 1HD1 ILE 8 -12.247 -4.275 -4.470
50 2HD1 ILE 8 2HD1 ILE 8 -13.323 -5.327 -5.390
51 3HD1 ILE 8 3HD1 ILE 8 -12.583 -3.925 -6.166
52 H PHE 9 H PHE 9 -7.443 -7.321 -5.355
53 HA PHE 9 HA PHE 9 -5.167 -5.433 -5.426
54 1HB PHE 9 2HB PHE 9 -5.033 -7.307 -3.747
55 2HB PHE 9 1HB PHE 9 -4.979 -8.427 -5.103
56 HD1 PHE 9 HD1 PHE 9 -2.873 -9.273 -5.413
57 HD2 PHE 9 HD2 PHE 9 -3.309 -5.177 -4.345
58 HE1 PHE 9 HE1 PHE 9 -0.435 -8.979 -5.563
59 HE2 PHE 9 HE2 PHE 9 -0.872 -4.873 -4.494
60 HZ PHE 9 HZ PHE 9 0.568 -6.776 -5.105
61 H GLU 10 H GLU 10 -4.148 -5.098 -7.294
62 HA GLU 10 HA GLU 10 -3.652 -5.189 -9.515
63 1HB GLU 10 2HB GLU 10 -4.036 -8.163 -9.164
64 2HB GLU 10 1HB GLU 10 -3.144 -7.370 -10.456
65 1HG GLU 10 2HG GLU 10 -1.560 -6.497 -8.782
66 2HG GLU 10 1HG GLU 10 -2.430 -7.388 -7.534
67 H LYS 11 H LYS 11 -6.401 -4.778 -8.765
68 HA LYS 11 HA LYS 11 -8.361 -4.446 -9.888
69 1HB LYS 11 2HB LYS 11 -7.283 -6.094 -12.175
70 2HB LYS 11 1HB LYS 11 -8.587 -4.919 -12.217
71 1HG LYS 11 2HG LYS 11 -5.688 -4.281 -11.710
72 2HG LYS 11 1HG LYS 11 -6.534 -4.070 -13.244
73 1HD LYS 11 2HD LYS 11 -8.112 -2.531 -12.092
74 2HD LYS 11 1HD LYS 11 -7.119 -2.666 -10.639
75 1HE LYS 11 2HE LYS 11 -5.452 -1.384 -11.494
76 2HE LYS 11 1HE LYS 11 -5.723 -1.944 -13.144
77 1HZ LYS 11 1HZ LYS 11 -6.377 0.288 -13.126
78 2HZ LYS 11 2HZ LYS 11 -7.203 0.141 -11.658
79 3HZ LYS 11 3HZ LYS 11 -7.831 -0.574 -13.056
80 H VAL 12 H VAL 12 -7.151 -7.216 -8.723
81 HA VAL 12 HA VAL 12 -9.478 -8.849 -9.408
82 HB VAL 12 HB VAL 12 -6.815 -9.567 -8.190
83 1HG1 VAL 12 1HG1 VAL 12 -7.702 -11.914 -8.120
84 2HG1 VAL 12 2HG1 VAL 12 -9.315 -11.247 -8.369
85 3HG1 VAL 12 3HG1 VAL 12 -8.404 -10.831 -6.918
86 1HG2 VAL 12 1HG2 VAL 12 -6.827 -11.141 -10.135
87 2HG2 VAL 12 2HG2 VAL 12 -6.781 -9.426 -10.559
88 3HG2 VAL 12 3HG2 VAL 12 -8.296 -10.331 -10.679
89 H SER 13 H SER 13 -10.634 -9.886 -7.733
90 HA SER 13 HA SER 13 -10.774 -8.158 -5.379
91 1HB SER 13 2HB SER 13 -12.969 -9.170 -4.987
92 2HB SER 13 1HB SER 13 -12.832 -8.451 -6.588
93 HG SER 13 HG SER 13 -12.345 -11.198 -6.137
94 H GLY 14 H GLY 14 -10.872 -8.878 -3.304
95 1HA GLY 14 2HA GLY 14 -10.761 -11.492 -2.359
96 2HA GLY 14 1HA GLY 14 -9.100 -10.957 -2.600
97 H ILE 15 H ILE 15 -9.493 -11.453 -0.072
98 HA ILE 15 HA ILE 15 -10.316 -8.911 1.131
99 HB ILE 15 HB ILE 15 -10.096 -11.629 2.424
100 1HG1 ILE 15 2HG1 ILE 15 -12.336 -11.800 2.221
101 2HG1 ILE 15 1HG1 ILE 15 -12.583 -10.152 2.776
102 1HG2 ILE 15 1HG2 ILE 15 -10.702 -8.949 3.678
103 2HG2 ILE 15 2HG2 ILE 15 -9.291 -9.972 4.003
104 3HG2 ILE 15 3HG2 ILE 15 -10.903 -10.505 4.483
105 1HD1 ILE 15 1HD1 ILE 15 -13.539 -10.365 0.620
106 2HD1 ILE 15 2HD1 ILE 15 -12.061 -11.068 -0.035
107 3HD1 ILE 15 3HD1 ILE 15 -12.090 -9.377 0.467
108 H ILE 16 H ILE 16 -9.008 -7.777 2.434
109 HA ILE 16 HA ILE 16 -6.191 -8.605 2.405
110 HB ILE 16 HB ILE 16 -7.464 -6.116 1.784
111 1HG1 ILE 16 2HG1 ILE 16 -4.535 -6.835 1.989
112 2HG1 ILE 16 1HG1 ILE 16 -5.562 -7.124 0.591
113 1HG2 ILE 16 1HG2 ILE 16 -7.328 -5.470 4.081
114 2HG2 ILE 16 2HG2 ILE 16 -6.141 -4.563 3.147
115 3HG2 ILE 16 3HG2 ILE 16 -5.624 -5.920 4.151
116 1HD1 ILE 16 1HD1 ILE 16 -5.252 -4.356 1.655
117 2HD1 ILE 16 2HD1 ILE 16 -5.637 -4.897 0.020
118 3HD1 ILE 16 3HD1 ILE 16 -3.995 -5.066 0.641
119 H ALA 17 H ALA 17 -5.460 -9.352 4.262
120 HA ALA 17 HA ALA 17 -6.722 -8.412 6.748
121 1HB ALA 17 1HB ALA 17 -5.496 -11.127 6.354
122 2HB ALA 17 2HB ALA 17 -7.206 -10.782 6.077
123 3HB ALA 17 3HB ALA 17 -6.508 -10.574 7.688
124 H ILE 18 H ILE 18 -5.454 -7.818 8.430
125 HA ILE 18 HA ILE 18 -2.552 -7.790 7.933
126 HB ILE 18 HB ILE 18 -4.268 -5.782 9.393
127 1HG1 ILE 18 2HG1 ILE 18 -2.585 -5.450 6.907
128 2HG1 ILE 18 1HG1 ILE 18 -4.313 -5.787 6.877
129 1HG2 ILE 18 1HG2 ILE 18 -2.464 -5.195 10.535
130 2HG2 ILE 18 2HG2 ILE 18 -1.706 -4.731 9.012
131 3HG2 ILE 18 3HG2 ILE 18 -1.464 -6.354 9.658
132 1HD1 ILE 18 1HD1 ILE 18 -3.814 -3.420 6.546
133 2HD1 ILE 18 2HD1 ILE 18 -3.034 -3.369 8.129
134 3HD1 ILE 18 3HD1 ILE 18 -4.763 -3.699 8.007
135 H ASN 19 H ASN 19 -1.172 -8.402 9.532
136 HA ASN 19 HA ASN 19 -2.361 -9.279 12.079
137 1HB ASN 19 2HB ASN 19 -1.763 -11.168 10.497
138 2HB ASN 19 1HB ASN 19 -0.080 -10.683 10.683
139 1HD2 ASN 19 1HD2 ASN 19 0.076 -12.928 11.455
140 2HD2 ASN 19 2HD2 ASN 19 -0.222 -13.239 13.127
141 H GLU 20 H GLU 20 -1.626 -7.971 13.613
142 HA GLU 20 HA GLU 20 1.042 -6.812 13.375
143 1HB GLU 20 2HB GLU 20 -1.189 -6.245 15.336
144 2HB GLU 20 1HB GLU 20 0.347 -5.391 15.281
145 1HG GLU 20 2HG GLU 20 -0.185 -4.659 12.983
146 2HG GLU 20 1HG GLU 20 -1.762 -5.433 13.136
147 H ASP 21 H ASP 21 0.030 -9.647 14.412
148 HA ASP 21 HA ASP 21 1.210 -9.741 17.039
149 1HB ASP 21 2HB ASP 21 -0.708 -11.195 16.315
150 2HB ASP 21 1HB ASP 21 0.411 -12.046 15.252
151 H VAL 22 H VAL 22 2.288 -9.976 13.812
152 HA VAL 22 HA VAL 22 4.769 -11.305 14.652
153 HB VAL 22 HB VAL 22 4.021 -12.534 12.856
154 1HG1 VAL 22 1HG1 VAL 22 2.966 -9.952 11.802
155 2HG1 VAL 22 2HG1 VAL 22 2.135 -11.488 12.049
156 3HG1 VAL 22 3HG1 VAL 22 3.246 -11.294 10.693
157 1HG2 VAL 22 1HG2 VAL 22 6.315 -11.854 12.431
158 2HG2 VAL 22 2HG2 VAL 22 5.745 -10.433 11.555
159 3HG2 VAL 22 3HG2 VAL 22 5.428 -12.046 10.919
160 H SER 23 H SER 23 6.766 -10.522 13.761
161 HA SER 23 HA SER 23 6.756 -7.647 13.148
162 1HB SER 23 2HB SER 23 8.315 -9.107 15.252
163 2HB SER 23 1HB SER 23 8.952 -7.624 14.540
164 HG SER 23 HG SER 23 6.536 -7.975 15.976
165 HA PRO 24 HA PRO 24 7.525 -6.258 12.007
166 1HB PRO 24 2HB PRO 24 7.590 -5.972 9.143
167 2HB PRO 24 1HB PRO 24 8.492 -5.063 10.354
168 1HG PRO 24 2HG PRO 24 9.609 -6.825 8.554
169 2HG PRO 24 1HG PRO 24 10.355 -6.334 10.084
170 1HD PRO 24 2HD PRO 24 8.898 -8.843 9.401
171 2HD PRO 24 1HD PRO 24 10.284 -8.599 10.484
172 H ALA 25 H ALA 25 5.374 -5.887 11.943
173 HA ALA 25 HA ALA 25 3.487 -7.783 11.408
174 1HB ALA 25 1HB ALA 25 1.949 -5.711 10.962
175 2HB ALA 25 2HB ALA 25 3.376 -4.802 11.464
176 3HB ALA 25 3HB ALA 25 2.649 -5.978 12.558
177 H GLU 26 H GLU 26 2.275 -8.461 9.662
178 HA GLU 26 HA GLU 26 2.992 -7.288 7.056
179 1HB GLU 26 2HB GLU 26 2.545 -10.226 7.586
180 2HB GLU 26 1HB GLU 26 3.033 -9.492 6.065
181 1HG GLU 26 2HG GLU 26 5.123 -8.736 7.154
182 2HG GLU 26 1HG GLU 26 4.637 -9.609 8.607
183 H LEU 27 H LEU 27 1.477 -7.628 5.352
184 HA LEU 27 HA LEU 27 -1.299 -8.001 6.263
185 1HB LEU 27 2HB LEU 27 -1.023 -5.676 5.803
186 2HB LEU 27 1HB LEU 27 -0.135 -6.003 4.327
187 HG LEU 27 HG LEU 27 -2.982 -6.892 4.547
188 1HD1 LEU 27 1HD1 LEU 27 -3.876 -4.829 4.097
189 2HD1 LEU 27 2HD1 LEU 27 -2.356 -4.183 3.475
190 3HD1 LEU 27 3HD1 LEU 27 -2.581 -4.392 5.211
191 1HD2 LEU 27 1HD2 LEU 27 -2.695 -6.058 2.054
192 2HD2 LEU 27 2HD2 LEU 27 -2.150 -7.656 2.564
193 3HD2 LEU 27 3HD2 LEU 27 -0.989 -6.335 2.413
194 H THR 28 H THR 28 -2.426 -9.526 5.158
195 HA THR 28 HA THR 28 -1.226 -10.503 2.651
196 HB THR 28 HB THR 28 -2.736 -12.154 4.677
197 HG1 THR 28 HG1 THR 28 -0.762 -11.573 5.547
198 1HG2 THR 28 1HG2 THR 28 -1.487 -14.012 3.425
199 2HG2 THR 28 2HG2 THR 28 -1.330 -12.825 2.128
200 3HG2 THR 28 3HG2 THR 28 -2.930 -13.317 2.685
201 H TRP 29 H TRP 29 -2.434 -10.430 0.918
202 HA TRP 29 HA TRP 29 -5.299 -9.938 1.150
203 1HB TRP 29 2HB TRP 29 -4.092 -8.302 -0.178
204 2HB TRP 29 1HB TRP 29 -3.355 -9.580 -1.144
205 HD1 TRP 29 HD1 TRP 29 -6.837 -8.127 -0.419
206 HE1 TRP 29 HE1 TRP 29 -8.296 -8.403 -2.528
207 HE3 TRP 29 HE3 TRP 29 -3.548 -10.737 -3.307
208 HZ2 TRP 29 HZ2 TRP 29 -8.064 -9.595 -5.086
209 HZ3 TRP 29 HZ3 TRP 29 -4.236 -11.417 -5.570
210 HH2 TRP 29 HH2 TRP 29 -6.446 -10.859 -6.437
211 H ARG 30 H ARG 30 -6.713 -11.490 0.597
212 HA ARG 30 HA ARG 30 -5.712 -13.755 -1.002
213 1HB ARG 30 2HB ARG 30 -5.928 -14.438 1.330
214 2HB ARG 30 1HB ARG 30 -7.596 -13.882 1.357
215 1HG ARG 30 2HG ARG 30 -8.330 -15.627 0.005
216 2HG ARG 30 1HG ARG 30 -6.705 -15.975 -0.587
217 1HD ARG 30 2HD ARG 30 -6.059 -16.872 1.544
218 2HD ARG 30 1HD ARG 30 -7.585 -16.366 2.269
219 HE ARG 30 HE ARG 30 -7.110 -18.722 0.707
220 1HH1 ARG 30 1HH1 ARG 30 -9.528 -16.405 1.688
221 2HH1 ARG 30 2HH1 ARG 30 -10.851 -17.496 1.446
222 1HH2 ARG 30 1HH2 ARG 30 -8.847 -20.158 0.389
223 2HH2 ARG 30 2HH2 ARG 30 -10.464 -19.628 0.709
224 H SER 31 H SER 31 -6.726 -13.903 -2.866
225 HA SER 31 HA SER 31 -8.821 -12.411 -3.770
226 1HB SER 31 2HB SER 31 -8.242 -15.266 -4.587
227 2HB SER 31 1HB SER 31 -9.129 -14.074 -5.536
228 HG SER 31 HG SER 31 -7.259 -12.886 -5.759
229 H THR 32 H THR 32 -11.053 -13.181 -4.422
230 HA THR 32 HA THR 32 -12.472 -13.959 -2.085
231 HB THR 32 HB THR 32 -14.083 -14.140 -4.463
232 HG1 THR 32 HG1 THR 32 -12.513 -11.792 -4.243
233 1HG2 THR 32 1HG2 THR 32 -13.968 -11.957 -2.402
234 2HG2 THR 32 2HG2 THR 32 -14.899 -13.446 -2.249
235 3HG2 THR 32 3HG2 THR 32 -15.288 -12.290 -3.522
236 H ASP 33 H ASP 33 -11.669 -15.445 -5.134
237 HA ASP 33 HA ASP 33 -12.807 -17.958 -4.252
238 1HB ASP 33 2HB ASP 33 -11.868 -17.052 -6.969
239 2HB ASP 33 1HB ASP 33 -12.429 -18.685 -6.625
240 H GLY 34 H GLY 34 -9.860 -16.372 -4.329
241 1HA GLY 34 2HA GLY 34 -7.865 -17.243 -3.439
242 2HA GLY 34 1HA GLY 34 -8.456 -18.867 -3.762
243 H ASP 35 H ASP 35 -8.604 -16.396 -6.204
244 HA ASP 35 HA ASP 35 -7.099 -17.968 -8.026
245 1HB ASP 35 2HB ASP 35 -7.457 -16.130 -9.595
246 2HB ASP 35 1HB ASP 35 -8.948 -16.522 -8.744
247 H LYS 36 H LYS 36 -6.279 -15.457 -5.807
248 HA LYS 36 HA LYS 36 -3.487 -15.797 -6.373
249 1HB LYS 36 2HB LYS 36 -4.954 -13.414 -7.348
250 2HB LYS 36 1HB LYS 36 -3.393 -13.124 -6.593
251 1HG LYS 36 2HG LYS 36 -2.493 -13.537 -8.578
252 2HG LYS 36 1HG LYS 36 -2.904 -15.232 -8.309
253 1HD LYS 36 2HD LYS 36 -4.039 -15.016 -10.241
254 2HD LYS 36 1HD LYS 36 -5.269 -14.270 -9.217
255 1HE LYS 36 2HE LYS 36 -4.112 -12.064 -9.667
256 2HE LYS 36 1HE LYS 36 -3.182 -12.908 -10.905
257 1HZ LYS 36 1HZ LYS 36 -5.113 -13.332 -12.145
258 2HZ LYS 36 2HZ LYS 36 -5.249 -11.716 -11.668
259 3HZ LYS 36 3HZ LYS 36 -6.143 -12.910 -10.870
260 H VAL 37 H VAL 37 -2.110 -14.809 -4.824
261 HA VAL 37 HA VAL 37 -3.416 -13.572 -2.509
262 HB VAL 37 HB VAL 37 -1.491 -15.894 -2.289
263 1HG1 VAL 37 1HG1 VAL 37 -1.776 -15.735 0.080
264 2HG1 VAL 37 2HG1 VAL 37 -2.992 -14.470 -0.098
265 3HG1 VAL 37 3HG1 VAL 37 -1.309 -14.143 -0.517
266 1HG2 VAL 37 1HG2 VAL 37 -4.418 -15.733 -2.364
267 2HG2 VAL 37 2HG2 VAL 37 -3.770 -16.653 -1.006
268 3HG2 VAL 37 3HG2 VAL 37 -3.346 -17.104 -2.658
269 H HIS 38 H HIS 38 -2.270 -11.923 -1.667
270 HA HIS 38 HA HIS 38 0.585 -11.718 -2.329
271 1HB HIS 38 2HB HIS 38 -0.928 -10.289 -3.833
272 2HB HIS 38 1HB HIS 38 -1.210 -9.309 -2.399
273 HD1 HIS 38 HD1 HIS 38 1.792 -10.584 -4.367
274 HD2 HIS 38 HD2 HIS 38 0.566 -7.294 -2.143
275 HE1 HIS 38 HE1 HIS 38 3.675 -8.923 -4.527
276 HE2 HIS 38 HE2 HIS 38 2.947 -6.978 -3.102
277 H THR 39 H THR 39 1.867 -10.668 -0.832
278 HA THR 39 HA THR 39 0.547 -9.869 1.672
279 HB THR 39 HB THR 39 3.092 -11.487 1.457
280 HG1 THR 39 HG1 THR 39 0.564 -12.280 2.456
281 1HG2 THR 39 1HG2 THR 39 1.545 -10.543 3.853
282 2HG2 THR 39 2HG2 THR 39 3.217 -10.170 3.432
283 3HG2 THR 39 3HG2 THR 39 2.770 -11.809 3.902
284 H VAL 40 H VAL 40 1.378 -8.101 2.721
285 HA VAL 40 HA VAL 40 3.820 -6.887 1.626
286 HB VAL 40 HB VAL 40 1.281 -5.355 2.194
287 1HG1 VAL 40 1HG1 VAL 40 4.105 -4.570 1.965
288 2HG1 VAL 40 2HG1 VAL 40 2.741 -3.719 2.704
289 3HG1 VAL 40 3HG1 VAL 40 2.997 -3.627 0.958
290 1HG2 VAL 40 1HG2 VAL 40 1.480 -4.760 -0.238
291 2HG2 VAL 40 2HG2 VAL 40 1.060 -6.442 0.087
292 3HG2 VAL 40 3HG2 VAL 40 2.709 -6.018 -0.376
293 H VAL 41 H VAL 41 5.081 -5.816 3.030
294 HA VAL 41 HA VAL 41 4.522 -6.188 5.865
295 HB VAL 41 HB VAL 41 6.937 -4.723 5.488
296 1HG1 VAL 41 1HG1 VAL 41 6.502 -6.214 7.329
297 2HG1 VAL 41 2HG1 VAL 41 7.962 -6.717 6.474
298 3HG1 VAL 41 3HG1 VAL 41 6.452 -7.597 6.234
299 1HG2 VAL 41 1HG2 VAL 41 8.222 -6.038 3.990
300 2HG2 VAL 41 2HG2 VAL 41 6.746 -5.580 3.130
301 3HG2 VAL 41 3HG2 VAL 41 6.916 -7.209 3.792
302 H LEU 42 H LEU 42 3.482 -4.625 6.954
303 HA LEU 42 HA LEU 42 3.071 -2.049 5.872
304 1HB LEU 42 2HB LEU 42 2.739 -2.707 8.778
305 2HB LEU 42 1HB LEU 42 1.797 -1.613 7.786
306 HG LEU 42 HG LEU 42 0.327 -3.341 8.006
307 1HD1 LEU 42 1HD1 LEU 42 1.519 -4.820 5.797
308 2HD1 LEU 42 2HD1 LEU 42 1.397 -3.082 5.524
309 3HD1 LEU 42 3HD1 LEU 42 -0.044 -4.015 5.914
310 1HD2 LEU 42 1HD2 LEU 42 2.506 -4.757 8.931
311 2HD2 LEU 42 2HD2 LEU 42 1.928 -5.695 7.555
312 3HD2 LEU 42 3HD2 LEU 42 0.832 -5.312 8.882
313 H SER 43 H SER 43 5.604 -3.451 7.722
314 HA SER 43 HA SER 43 6.540 -1.165 9.079
315 1HB SER 43 2HB SER 43 8.591 -2.403 9.419
316 2HB SER 43 1HB SER 43 7.229 -3.509 9.593
317 HG SER 43 HG SER 43 7.664 -4.355 7.598
318 H THR 44 H THR 44 6.873 -2.256 5.812
319 HA THR 44 HA THR 44 9.005 -0.379 5.219
320 HB THR 44 HB THR 44 9.357 -1.544 3.311
321 HG1 THR 44 HG1 THR 44 7.695 -2.199 1.929
322 1HG2 THR 44 1HG2 THR 44 7.425 -3.663 3.948
323 2HG2 THR 44 2HG2 THR 44 8.616 -3.292 5.194
324 3HG2 THR 44 3HG2 THR 44 9.146 -3.760 3.578
325 H ILE 45 H ILE 45 5.572 -0.581 5.011
326 HA ILE 45 HA ILE 45 5.022 1.299 3.034
327 HB ILE 45 HB ILE 45 3.433 0.813 5.557
328 1HG1 ILE 45 2HG1 ILE 45 3.870 -1.256 4.292
329 2HG1 ILE 45 1HG1 ILE 45 2.169 -0.805 4.224
330 1HG2 ILE 45 1HG2 ILE 45 1.862 2.184 4.770
331 2HG2 ILE 45 2HG2 ILE 45 1.950 1.481 3.155
332 3HG2 ILE 45 3HG2 ILE 45 3.071 2.760 3.623
333 1HD1 ILE 45 1HD1 ILE 45 4.031 -1.228 2.092
334 2HD1 ILE 45 2HD1 ILE 45 3.366 0.403 2.006
335 3HD1 ILE 45 3HD1 ILE 45 2.285 -0.990 2.025
336 H ASP 46 H ASP 46 6.424 3.036 3.125
337 HA ASP 46 HA ASP 46 6.990 4.577 5.394
338 1HB ASP 46 2HB ASP 46 8.260 4.610 3.231
339 2HB ASP 46 1HB ASP 46 6.947 5.556 2.535
340 H LYS 47 H LYS 47 4.303 4.642 3.161
341 HA LYS 47 HA LYS 47 2.894 6.464 4.926
342 1HB LYS 47 2HB LYS 47 2.961 7.191 2.009
343 2HB LYS 47 1HB LYS 47 2.448 8.166 3.377
344 1HG LYS 47 2HG LYS 47 4.793 8.286 4.136
345 2HG LYS 47 1HG LYS 47 5.274 7.387 2.694
346 1HD LYS 47 2HD LYS 47 4.165 9.208 1.340
347 2HD LYS 47 1HD LYS 47 4.031 10.127 2.840
348 1HE LYS 47 2HE LYS 47 6.600 9.586 3.011
349 2HE LYS 47 1HE LYS 47 6.452 9.395 1.264
350 1HZ LYS 47 1HZ LYS 47 5.243 11.683 1.473
351 2HZ LYS 47 2HZ LYS 47 6.931 11.606 1.420
352 3HZ LYS 47 3HZ LYS 47 6.142 11.807 2.901
353 H LEU 48 H LEU 48 0.609 6.594 4.469
354 HA LEU 48 HA LEU 48 -0.396 4.496 2.695
355 1HB LEU 48 2HB LEU 48 -1.112 3.286 4.410
356 2HB LEU 48 1HB LEU 48 -0.448 4.458 5.528
357 HG LEU 48 HG LEU 48 -2.673 5.730 5.080
358 1HD1 LEU 48 1HD1 LEU 48 -3.209 3.905 3.297
359 2HD1 LEU 48 2HD1 LEU 48 -4.491 4.540 4.328
360 3HD1 LEU 48 3HD1 LEU 48 -3.753 2.981 4.695
361 1HD2 LEU 48 1HD2 LEU 48 -3.476 4.908 7.079
362 2HD2 LEU 48 2HD2 LEU 48 -1.775 4.451 7.164
363 3HD2 LEU 48 3HD2 LEU 48 -2.988 3.254 6.714
364 H GLN 49 H GLN 49 -1.898 5.207 1.336
365 HA GLN 49 HA GLN 49 -3.327 7.688 2.035
366 1HB GLN 49 2HB GLN 49 -2.331 6.807 -0.679
367 2HB GLN 49 1HB GLN 49 -3.339 8.219 -0.391
368 1HG GLN 49 2HG GLN 49 -1.588 9.224 0.953
369 2HG GLN 49 1HG GLN 49 -0.582 7.792 0.740
370 1HE2 GLN 49 1HE2 GLN 49 0.294 10.320 0.059
371 2HE2 GLN 49 2HE2 GLN 49 0.467 10.419 -1.657
372 H ALA 50 H ALA 50 -5.489 7.798 1.613
373 HA ALA 50 HA ALA 50 -6.758 5.502 0.297
374 1HB ALA 50 1HB ALA 50 -7.683 6.628 2.937
375 2HB ALA 50 2HB ALA 50 -6.802 5.113 2.734
376 3HB ALA 50 3HB ALA 50 -8.415 5.296 2.042
377 H THR 51 H THR 51 -8.737 5.936 -0.688
378 HA THR 51 HA THR 51 -9.087 8.652 -1.525
379 HB THR 51 HB THR 51 -11.091 7.663 -2.754
380 HG1 THR 51 HG1 THR 51 -11.604 5.850 -1.719
381 1HG2 THR 51 1HG2 THR 51 -9.451 7.718 -4.277
382 2HG2 THR 51 2HG2 THR 51 -9.427 5.972 -4.028
383 3HG2 THR 51 3HG2 THR 51 -8.266 6.999 -3.187
384 HA PRO 52 HA PRO 52 -11.874 9.702 1.818
385 1HB PRO 52 2HB PRO 52 -12.558 12.172 0.921
386 2HB PRO 52 1HB PRO 52 -11.011 11.828 1.704
387 1HG PRO 52 2HG PRO 52 -11.646 12.065 -1.213
388 2HG PRO 52 1HG PRO 52 -10.263 12.714 -0.313
389 1HD PRO 52 2HD PRO 52 -10.096 10.461 -1.797
390 2HD PRO 52 1HD PRO 52 -9.153 10.693 -0.311
391 H ALA 53 H ALA 53 -14.129 10.176 2.117
392 HA ALA 53 HA ALA 53 -15.844 8.764 0.424
393 1HB ALA 53 1HB ALA 53 -16.161 10.528 2.766
394 2HB ALA 53 2HB ALA 53 -16.815 8.919 2.456
395 3HB ALA 53 3HB ALA 53 -17.584 10.336 1.742
396 H SER 54 H SER 54 -15.005 12.174 0.528
397 HA SER 54 HA SER 54 -17.017 13.190 -1.114
398 1HB SER 54 2HB SER 54 -15.416 14.578 0.193
399 2HB SER 54 1HB SER 54 -14.153 14.152 -0.962
400 HG SER 54 HG SER 54 -15.644 15.064 -2.587
401 H SER 55 H SER 55 -14.224 11.319 -1.876
402 HA SER 55 HA SER 55 -14.517 11.833 -4.719
403 1HB SER 55 2HB SER 55 -12.240 11.934 -3.763
404 2HB SER 55 1HB SER 55 -12.393 10.251 -3.262
405 HG SER 55 HG SER 55 -12.619 11.139 -5.947
406 H GLU 56 H GLU 56 -15.860 10.581 -5.807
407 HA GLU 56 HA GLU 56 -17.011 8.221 -4.855
408 1HB GLU 56 2HB GLU 56 -16.673 9.186 -7.698
409 2HB GLU 56 1HB GLU 56 -17.719 7.858 -7.217
410 1HG GLU 56 2HG GLU 56 -17.985 10.718 -6.320
411 2HG GLU 56 1HG GLU 56 -18.970 9.921 -7.545
412 H LYS 57 H LYS 57 -13.929 8.786 -6.211
413 HA LYS 57 HA LYS 57 -13.466 6.199 -7.311
414 1HB LYS 57 2HB LYS 57 -11.425 8.201 -6.334
415 2HB LYS 57 1HB LYS 57 -11.142 6.870 -7.447
416 1HG LYS 57 2HG LYS 57 -13.173 8.280 -8.659
417 2HG LYS 57 1HG LYS 57 -12.164 9.542 -7.950
418 1HD LYS 57 2HD LYS 57 -10.793 7.344 -9.397
419 2HD LYS 57 1HD LYS 57 -11.688 8.518 -10.363
420 1HE LYS 57 2HE LYS 57 -9.768 9.426 -8.253
421 2HE LYS 57 1HE LYS 57 -9.185 8.945 -9.846
422 1HZ LYS 57 1HZ LYS 57 -11.224 11.046 -9.337
423 2HZ LYS 57 2HZ LYS 57 -10.593 10.613 -10.845
424 3HZ LYS 57 3HZ LYS 57 -9.594 11.335 -9.689
425 H MET 58 H MET 58 -13.879 4.564 -5.902
426 HA MET 58 HA MET 58 -12.867 4.601 -3.195
427 1HB MET 58 2HB MET 58 -14.066 2.246 -4.647
428 2HB MET 58 1HB MET 58 -14.000 2.530 -2.914
429 1HG MET 58 2HG MET 58 -15.447 4.512 -4.573
430 2HG MET 58 1HG MET 58 -16.193 2.932 -4.341
431 1HE MET 58 1HE MET 58 -16.508 2.704 -0.476
432 2HE MET 58 2HE MET 58 -14.917 2.421 -1.184
433 3HE MET 58 3HE MET 58 -16.365 1.821 -1.996
434 H MET 59 H MET 59 -10.718 4.316 -2.920
435 HA MET 59 HA MET 59 -9.481 1.870 -3.535
436 1HB MET 59 2HB MET 59 -9.516 2.707 -5.831
437 2HB MET 59 1HB MET 59 -8.681 4.169 -5.324
438 1HG MET 59 2HG MET 59 -7.204 1.844 -4.514
439 2HG MET 59 1HG MET 59 -7.555 1.783 -6.240
440 1HE MET 59 1HE MET 59 -7.525 5.364 -6.479
441 2HE MET 59 2HE MET 59 -7.447 4.028 -7.628
442 3HE MET 59 3HE MET 59 -6.099 5.158 -7.498
443 H LEU 60 H LEU 60 -7.499 1.626 -2.569
444 HA LEU 60 HA LEU 60 -6.513 3.930 -1.016
445 1HB LEU 60 2HB LEU 60 -7.450 1.485 -0.091
446 2HB LEU 60 1HB LEU 60 -5.708 1.305 -0.037
447 HG LEU 60 HG LEU 60 -6.136 3.794 1.110
448 1HD1 LEU 60 1HD1 LEU 60 -8.263 1.867 2.027
449 2HD1 LEU 60 2HD1 LEU 60 -8.516 3.427 1.246
450 3HD1 LEU 60 3HD1 LEU 60 -7.812 3.353 2.862
451 1HD2 LEU 60 1HD2 LEU 60 -5.452 1.067 2.051
452 2HD2 LEU 60 2HD2 LEU 60 -5.850 2.275 3.272
453 3HD2 LEU 60 3HD2 LEU 60 -4.527 2.566 2.144
454 H ARG 61 H ARG 61 -4.151 3.898 -0.579
455 HA ARG 61 HA ARG 61 -2.580 2.273 -2.429
456 1HB ARG 61 2HB ARG 61 -3.241 4.419 -3.581
457 2HB ARG 61 1HB ARG 61 -2.276 5.273 -2.387
458 1HG ARG 61 2HG ARG 61 -0.698 5.087 -3.984
459 2HG ARG 61 1HG ARG 61 -0.450 3.513 -3.226
460 1HD ARG 61 2HD ARG 61 -2.046 2.545 -4.878
461 2HD ARG 61 1HD ARG 61 -2.092 4.113 -5.681
462 HE ARG 61 HE ARG 61 0.020 2.162 -5.797
463 1HH1 ARG 61 1HH1 ARG 61 -0.798 5.533 -6.187
464 2HH1 ARG 61 2HH1 ARG 61 0.533 5.862 -7.243
465 1HH2 ARG 61 1HH2 ARG 61 1.772 2.595 -7.186
466 2HH2 ARG 61 2HH2 ARG 61 1.992 4.195 -7.811
467 H LEU 62 H LEU 62 -0.771 1.566 -1.522
468 HA LEU 62 HA LEU 62 0.184 2.869 0.937
469 1HB LEU 62 2HB LEU 62 0.515 0.062 -0.115
470 2HB LEU 62 1HB LEU 62 1.415 0.676 1.254
471 HG LEU 62 HG LEU 62 -0.360 0.524 2.672
472 1HD1 LEU 62 1HD1 LEU 62 -2.236 0.938 0.347
473 2HD1 LEU 62 2HD1 LEU 62 -1.758 2.154 1.532
474 3HD1 LEU 62 3HD1 LEU 62 -2.713 0.759 2.035
475 1HD2 LEU 62 1HD2 LEU 62 -0.112 -1.712 2.024
476 2HD2 LEU 62 2HD2 LEU 62 -0.904 -1.438 0.471
477 3HD2 LEU 62 3HD2 LEU 62 -1.851 -1.419 1.960
478 H ILE 63 H ILE 63 2.363 3.434 1.158
479 HA ILE 63 HA ILE 63 3.853 3.535 -1.375
480 HB ILE 63 HB ILE 63 4.732 5.065 1.031
481 1HG1 ILE 63 2HG1 ILE 63 2.411 5.649 0.995
482 2HG1 ILE 63 1HG1 ILE 63 3.301 6.976 0.258
483 1HG2 ILE 63 1HG2 ILE 63 6.236 5.381 -0.654
484 2HG2 ILE 63 2HG2 ILE 63 5.127 6.716 -0.970
485 3HG2 ILE 63 3HG2 ILE 63 5.017 5.233 -1.921
486 1HD1 ILE 63 1HD1 ILE 63 1.124 6.213 -0.810
487 2HD1 ILE 63 2HD1 ILE 63 2.055 4.842 -1.415
488 3HD1 ILE 63 3HD1 ILE 63 2.516 6.486 -1.855
489 H GLY 64 H GLY 64 5.349 2.014 -1.624
490 1HA GLY 64 2HA GLY 64 6.457 0.598 0.632
491 2HA GLY 64 1HA GLY 64 6.839 0.326 -1.063
492 H LYS 65 H LYS 65 8.298 1.006 1.673
493 HA LYS 65 HA LYS 65 9.743 3.340 1.408
494 1HB LYS 65 2HB LYS 65 10.082 0.803 2.835
495 2HB LYS 65 1HB LYS 65 11.600 1.616 2.479
496 1HG LYS 65 2HG LYS 65 10.861 3.601 3.621
497 2HG LYS 65 1HG LYS 65 9.263 2.899 3.877
498 1HD LYS 65 2HD LYS 65 10.401 1.058 5.166
499 2HD LYS 65 1HD LYS 65 11.881 2.014 5.073
500 1HE LYS 65 2HE LYS 65 10.223 3.893 5.997
501 2HE LYS 65 1HE LYS 65 9.416 2.468 6.649
502 1HZ LYS 65 1HZ LYS 65 11.289 1.893 7.893
503 2HZ LYS 65 2HZ LYS 65 11.171 3.569 8.085
504 3HZ LYS 65 3HZ LYS 65 12.315 2.919 7.021
505 H VAL 66 H VAL 66 11.750 3.884 0.531
506 HA VAL 66 HA VAL 66 12.573 2.193 -1.733
507 HB VAL 66 HB VAL 66 11.723 4.631 -2.047
508 1HG1 VAL 66 1HG1 VAL 66 13.080 6.404 -1.602
509 2HG1 VAL 66 2HG1 VAL 66 14.553 5.439 -1.687
510 3HG1 VAL 66 3HG1 VAL 66 13.520 5.347 -0.261
511 1HG2 VAL 66 1HG2 VAL 66 12.499 4.337 -4.103
512 2HG2 VAL 66 2HG2 VAL 66 13.457 2.986 -3.495
513 3HG2 VAL 66 3HG2 VAL 66 14.160 4.605 -3.566
514 H ASP 67 H ASP 67 15.012 3.475 -2.227
515 HA ASP 67 HA ASP 67 16.663 3.362 0.126
516 1HB ASP 67 2HB ASP 67 16.272 0.938 -0.736
517 2HB ASP 67 1HB ASP 67 17.352 1.400 -2.048
518 H GLU 68 H GLU 68 16.712 5.571 -0.849
519 HA GLU 68 HA GLU 68 17.815 6.167 -3.318
520 1HB GLU 68 2HB GLU 68 18.088 7.741 -0.753
521 2HB GLU 68 1HB GLU 68 18.368 8.371 -2.369
522 1HG GLU 68 2HG GLU 68 16.249 9.085 -2.130
523 2HG GLU 68 1HG GLU 68 15.880 7.457 -2.696
524 H SER 69 H SER 69 19.352 4.928 -0.513
525 HA SER 69 HA SER 69 21.957 5.855 -0.820
526 1HB SER 69 2HB SER 69 21.138 4.560 1.138
527 2HB SER 69 1HB SER 69 21.118 3.109 0.136
528 HG SER 69 HG SER 69 23.049 3.305 1.364
529 H LYS 70 H LYS 70 20.157 3.706 -2.791
530 HA LYS 70 HA LYS 70 22.350 2.268 -3.914
531 1HB LYS 70 2HB LYS 70 19.597 2.737 -5.074
532 2HB LYS 70 1HB LYS 70 20.745 1.507 -5.583
533 1HG LYS 70 2HG LYS 70 19.477 1.665 -2.858
534 2HG LYS 70 1HG LYS 70 18.954 0.606 -4.169
535 1HD LYS 70 2HD LYS 70 21.191 -0.446 -4.163
536 2HD LYS 70 1HD LYS 70 21.641 0.571 -2.793
537 1HE LYS 70 2HE LYS 70 20.404 -0.630 -1.323
538 2HE LYS 70 1HE LYS 70 19.144 -0.980 -2.506
539 1HZ LYS 70 1HZ LYS 70 21.534 -2.485 -1.847
540 2HZ LYS 70 2HZ LYS 70 21.171 -2.392 -3.497
541 3HZ LYS 70 3HZ LYS 70 20.035 -3.024 -2.417
542 H LYS 71 H LYS 71 20.413 5.043 -4.998
543 HA LYS 71 HA LYS 71 20.833 6.704 -6.490
544 1HB LYS 71 2HB LYS 71 23.539 5.882 -5.600
545 2HB LYS 71 1HB LYS 71 23.454 6.847 -7.068
546 1HG LYS 71 2HG LYS 71 22.021 7.709 -4.589
547 2HG LYS 71 1HG LYS 71 23.741 8.038 -4.807
548 1HD LYS 71 2HD LYS 71 23.142 9.092 -7.017
549 2HD LYS 71 1HD LYS 71 21.450 8.958 -6.534
550 1HE LYS 71 2HE LYS 71 21.618 10.613 -4.996
551 2HE LYS 71 1HE LYS 71 23.281 10.206 -4.580
552 1HZ LYS 71 1HZ LYS 71 22.336 11.756 -6.923
553 2HZ LYS 71 2HZ LYS 71 23.919 11.182 -6.775
554 3HZ LYS 71 3HZ LYS 71 23.317 12.296 -5.655
555 H ARG 72 H ARG 72 19.773 5.880 -8.244
556 HA ARG 72 HA ARG 72 21.267 4.147 -10.077
557 1HB ARG 72 2HB ARG 72 18.345 4.866 -9.882
558 2HB ARG 72 1HB ARG 72 19.017 3.979 -11.245
559 1HG ARG 72 2HG ARG 72 19.953 2.566 -9.088
560 2HG ARG 72 1HG ARG 72 18.345 3.067 -8.564
561 1HD ARG 72 2HD ARG 72 17.420 2.161 -10.670
562 2HD ARG 72 1HD ARG 72 19.030 1.588 -11.100
563 HE ARG 72 HE ARG 72 17.214 0.413 -9.200
564 1HH1 ARG 72 1HH1 ARG 72 20.548 0.685 -10.199
565 2HH1 ARG 72 2HH1 ARG 72 21.019 -0.816 -9.472
566 1HH2 ARG 72 1HH2 ARG 72 17.832 -1.559 -8.244
567 2HH2 ARG 72 2HH2 ARG 72 19.477 -2.090 -8.362
568 H LYS 73 H LYS 73 21.682 4.701 -12.196
569 HA LYS 73 HA LYS 73 21.718 7.552 -12.740
570 1HB LYS 73 2HB LYS 73 22.873 5.194 -14.230
571 2HB LYS 73 1HB LYS 73 23.030 6.862 -14.762
572 1HG LYS 73 2HG LYS 73 23.929 6.045 -12.030
573 2HG LYS 73 1HG LYS 73 24.956 5.781 -13.440
574 1HD LYS 73 2HD LYS 73 24.620 8.238 -13.969
575 2HD LYS 73 1HD LYS 73 23.915 8.389 -12.358
576 1HE LYS 73 2HE LYS 73 26.207 8.998 -12.179
577 2HE LYS 73 1HE LYS 73 26.033 7.404 -11.444
578 1HZ LYS 73 1HZ LYS 73 26.628 6.745 -13.956
579 2HZ LYS 73 2HZ LYS 73 27.788 6.935 -12.742
580 3HZ LYS 73 3HZ LYS 73 27.485 8.198 -13.826
581 H ASP 74 H ASP 74 20.746 8.557 -14.484
582 HA ASP 74 HA ASP 74 18.430 7.131 -15.565
583 1HB ASP 74 2HB ASP 74 17.610 9.375 -16.200
584 2HB ASP 74 1HB ASP 74 17.957 9.256 -14.478
585 H ASN 75 H ASN 75 17.806 8.078 -17.858
586 HA ASN 75 HA ASN 75 19.644 7.023 -19.689
587 1HB ASN 75 2HB ASN 75 17.348 8.923 -20.203
588 2HB ASN 75 1HB ASN 75 18.172 7.960 -21.426
589 1HD2 ASN 75 1HD2 ASN 75 15.361 8.047 -20.331
590 2HD2 ASN 75 2HD2 ASN 75 14.998 6.397 -19.966
591 H GLU 76 H GLU 76 19.481 10.122 -18.241
592 HA GLU 76 HA GLU 76 21.005 11.428 -20.338
593 1HB GLU 76 2HB GLU 76 19.156 12.459 -18.792
594 2HB GLU 76 1HB GLU 76 20.485 12.656 -17.658
595 1HG GLU 76 2HG GLU 76 21.717 13.912 -19.407
596 2HG GLU 76 1HG GLU 76 20.286 13.806 -20.430
597 H GLY 77 H GLY 77 21.953 9.192 -18.313
598 1HA GLY 77 2HA GLY 77 24.015 8.593 -17.497
599 2HA GLY 77 1HA GLY 77 24.666 10.019 -18.290
600 H ASN 78 H ASN 78 22.088 10.585 -16.101
601 HA ASN 78 HA ASN 78 24.024 11.493 -14.074
602 1HB ASN 78 2HB ASN 78 21.402 12.710 -14.943
603 2HB ASN 78 1HB ASN 78 22.224 13.175 -13.457
604 1HD2 ASN 78 1HD2 ASN 78 22.019 13.594 -16.810
605 2HD2 ASN 78 2HD2 ASN 78 23.368 14.656 -17.004
606 H GLU 79 H GLU 79 23.544 11.171 -11.906
607 HA GLU 79 HA GLU 79 22.001 8.853 -11.322
608 1HB GLU 79 2HB GLU 79 23.275 10.869 -9.463
609 2HB GLU 79 1HB GLU 79 22.609 9.320 -8.967
610 1HG GLU 79 2HG GLU 79 24.254 8.173 -10.374
611 2HG GLU 79 1HG GLU 79 24.932 9.734 -10.834
612 H VAL 80 H VAL 80 20.079 8.643 -10.206
613 HA VAL 80 HA VAL 80 18.604 11.082 -9.537
614 HB VAL 80 HB VAL 80 16.672 10.535 -10.751
615 1HG1 VAL 80 1HG1 VAL 80 18.578 11.387 -12.118
616 2HG1 VAL 80 2HG1 VAL 80 17.367 10.489 -13.033
617 3HG1 VAL 80 3HG1 VAL 80 18.899 9.723 -12.609
618 1HG2 VAL 80 1HG2 VAL 80 16.444 8.199 -10.266
619 2HG2 VAL 80 2HG2 VAL 80 17.891 7.813 -11.201
620 3HG2 VAL 80 3HG2 VAL 80 16.440 8.387 -12.022
621 H VAL 81 H VAL 81 16.733 10.692 -8.180
622 HA VAL 81 HA VAL 81 17.232 8.564 -6.278
623 HB VAL 81 HB VAL 81 14.967 10.562 -6.229
624 1HG1 VAL 81 1HG1 VAL 81 14.421 9.065 -4.601
625 2HG1 VAL 81 2HG1 VAL 81 15.497 10.110 -3.673
626 3HG1 VAL 81 3HG1 VAL 81 16.095 8.584 -4.327
627 1HG2 VAL 81 1HG2 VAL 81 16.407 11.919 -4.747
628 2HG2 VAL 81 2HG2 VAL 81 17.035 11.804 -6.391
629 3HG2 VAL 81 3HG2 VAL 81 17.752 10.835 -5.102
630 HA PRO 82 HA PRO 82 14.620 5.818 -8.727
631 1HB PRO 82 2HB PRO 82 14.691 4.377 -6.106
632 2HB PRO 82 1HB PRO 82 14.923 3.748 -7.742
633 1HG PRO 82 2HG PRO 82 17.008 4.156 -6.137
634 2HG PRO 82 1HG PRO 82 17.107 4.516 -7.871
635 1HD PRO 82 2HD PRO 82 16.870 6.375 -5.559
636 2HD PRO 82 1HD PRO 82 17.695 6.602 -7.111
637 H LYS 83 H LYS 83 12.448 5.444 -8.845
638 HA LYS 83 HA LYS 83 10.740 7.035 -7.189
639 1HB LYS 83 2HB LYS 83 10.399 5.291 -9.578
640 2HB LYS 83 1HB LYS 83 8.973 5.634 -8.607
641 1HG LYS 83 2HG LYS 83 9.071 7.919 -9.050
642 2HG LYS 83 1HG LYS 83 10.754 7.838 -9.575
643 1HD LYS 83 2HD LYS 83 9.884 6.332 -11.464
644 2HD LYS 83 1HD LYS 83 8.283 6.937 -11.026
645 1HE LYS 83 2HE LYS 83 10.653 8.624 -11.831
646 2HE LYS 83 1HE LYS 83 9.273 8.232 -12.856
647 1HZ LYS 83 1HZ LYS 83 9.437 10.445 -11.392
648 2HZ LYS 83 2HZ LYS 83 8.640 9.438 -10.291
649 3HZ LYS 83 3HZ LYS 83 7.967 9.721 -11.817
650 HA PRO 84 HA PRO 84 10.577 3.945 -3.862
651 1HB PRO 84 2HB PRO 84 8.292 5.355 -2.904
652 2HB PRO 84 1HB PRO 84 9.944 5.435 -2.286
653 1HG PRO 84 2HG PRO 84 8.563 7.217 -4.225
654 2HG PRO 84 1HG PRO 84 9.802 7.616 -3.023
655 1HD PRO 84 2HD PRO 84 10.418 7.512 -5.583
656 2HD PRO 84 1HD PRO 84 11.524 6.798 -4.385
657 H GLN 85 H GLN 85 9.214 2.235 -3.392
658 HA GLN 85 HA GLN 85 7.478 1.366 -5.439
659 1HB GLN 85 2HB GLN 85 8.530 0.325 -2.945
660 2HB GLN 85 1HB GLN 85 6.843 -0.122 -3.158
661 1HG GLN 85 2HG GLN 85 7.287 -1.522 -4.854
662 2HG GLN 85 1HG GLN 85 8.544 -0.483 -5.524
663 1HE2 GLN 85 1HE2 GLN 85 10.375 -0.261 -3.639
664 2HE2 GLN 85 2HE2 GLN 85 11.018 -1.798 -3.182
665 H ARG 86 H ARG 86 5.206 0.924 -5.308
666 HA ARG 86 HA ARG 86 3.656 2.237 -3.241
667 1HB ARG 86 2HB ARG 86 3.496 3.128 -6.128
668 2HB ARG 86 1HB ARG 86 2.367 3.599 -4.866
669 1HG ARG 86 2HG ARG 86 4.284 4.607 -3.630
670 2HG ARG 86 1HG ARG 86 5.292 4.277 -5.040
671 1HD ARG 86 2HD ARG 86 3.623 5.599 -6.392
672 2HD ARG 86 1HD ARG 86 2.893 6.089 -4.864
673 HE ARG 86 HE ARG 86 4.581 7.596 -4.617
674 1HH1 ARG 86 1HH1 ARG 86 5.658 5.111 -6.819
675 2HH1 ARG 86 2HH1 ARG 86 7.162 5.897 -7.166
676 1HH2 ARG 86 1HH2 ARG 86 6.558 8.629 -5.072
677 2HH2 ARG 86 2HH2 ARG 86 7.674 7.893 -6.174
678 H HIS 87 H HIS 87 2.078 0.858 -2.757
679 HA HIS 87 HA HIS 87 1.239 -1.116 -4.737
680 1HB HIS 87 2HB HIS 87 0.514 -0.917 -1.807
681 2HB HIS 87 1HB HIS 87 0.179 -2.277 -2.873
682 HD1 HIS 87 HD1 HIS 87 2.247 -3.731 -3.607
683 HD2 HIS 87 HD2 HIS 87 3.051 -0.862 -0.711
684 HE1 HIS 87 HE1 HIS 87 4.483 -4.358 -2.643
685 HE2 HIS 87 HE2 HIS 87 4.907 -2.659 -0.831
686 H MET 88 H MET 88 -1.012 -1.537 -5.150
687 HA MET 88 HA MET 88 -2.786 0.734 -4.560
688 1HB MET 88 2HB MET 88 -1.920 0.942 -6.857
689 2HB MET 88 1HB MET 88 -2.540 -0.659 -7.230
690 1HG MET 88 2HG MET 88 -4.823 0.167 -6.726
691 2HG MET 88 1HG MET 88 -4.147 1.782 -6.524
692 1HE MET 88 1HE MET 88 -5.926 2.603 -8.217
693 2HE MET 88 2HE MET 88 -6.542 1.019 -8.692
694 3HE MET 88 3HE MET 88 -5.993 2.158 -9.922
695 H PHE 89 H PHE 89 -4.520 0.084 -3.517
696 HA PHE 89 HA PHE 89 -5.682 -2.541 -4.167
697 1HB PHE 89 2HB PHE 89 -5.422 -1.298 -1.419
698 2HB PHE 89 1HB PHE 89 -6.312 -2.775 -1.777
699 HD1 PHE 89 HD1 PHE 89 -2.988 -1.259 -1.500
700 HD2 PHE 89 HD2 PHE 89 -5.173 -4.843 -2.200
701 HE1 PHE 89 HE1 PHE 89 -0.931 -2.570 -1.177
702 HE2 PHE 89 HE2 PHE 89 -3.120 -6.161 -1.877
703 HZ PHE 89 HZ PHE 89 -0.996 -5.025 -1.365
704 H SER 90 H SER 90 -7.749 -2.416 -4.790
705 HA SER 90 HA SER 90 -9.165 0.108 -4.365
706 1HB SER 90 2HB SER 90 -10.744 -1.495 -6.017
707 2HB SER 90 1HB SER 90 -9.669 -0.194 -6.530
708 HG SER 90 HG SER 90 -9.271 -2.244 -7.565
709 H PHE 91 H PHE 91 -10.896 0.301 -3.097
710 HA PHE 91 HA PHE 91 -12.086 -2.160 -1.995
711 1HB PHE 91 2HB PHE 91 -11.744 0.491 -0.576
712 2HB PHE 91 1HB PHE 91 -12.462 -0.964 0.104
713 HD1 PHE 91 HD1 PHE 91 -9.296 0.232 -1.451
714 HD2 PHE 91 HD2 PHE 91 -11.145 -2.383 1.352
715 HE1 PHE 91 HE1 PHE 91 -7.079 -0.481 -0.658
716 HE2 PHE 91 HE2 PHE 91 -8.928 -3.100 2.149
717 HZ PHE 91 HZ PHE 91 -6.893 -2.149 1.143
718 H ASN 92 H ASN 92 -14.346 -1.903 -1.261
719 HA ASN 92 HA ASN 92 -15.781 0.139 -2.827
720 1HB ASN 92 2HB ASN 92 -16.658 -2.718 -2.368
721 2HB ASN 92 1HB ASN 92 -17.548 -1.492 -3.264
722 1HD2 ASN 92 1HD2 ASN 92 -16.218 -4.154 -3.925
723 2HD2 ASN 92 2HD2 ASN 92 -15.308 -3.811 -5.352
724 H ASN 93 H ASN 93 -14.951 0.145 -0.014
725 HA ASN 93 HA ASN 93 -17.503 0.871 1.119
726 1HB ASN 93 2HB ASN 93 -15.862 -1.360 2.337
727 2HB ASN 93 1HB ASN 93 -17.200 -0.550 3.148
728 1HD2 ASN 93 1HD2 ASN 93 -16.374 -3.212 1.452
729 2HD2 ASN 93 2HD2 ASN 93 -17.918 -3.650 0.812
730 H ARG 94 H ARG 94 -17.057 2.835 1.860
731 HA ARG 94 HA ARG 94 -14.565 3.887 2.412
732 1HB ARG 94 2HB ARG 94 -17.163 4.832 2.422
733 2HB ARG 94 1HB ARG 94 -16.655 5.039 4.092
734 1HG ARG 94 2HG ARG 94 -15.050 6.034 1.755
735 2HG ARG 94 1HG ARG 94 -16.277 7.004 2.573
736 1HD ARG 94 2HD ARG 94 -14.832 6.145 4.688
737 2HD ARG 94 1HD ARG 94 -13.578 6.219 3.453
738 HE ARG 94 HE ARG 94 -15.221 8.577 3.603
739 1HH1 ARG 94 1HH1 ARG 94 -12.375 6.977 4.839
740 2HH1 ARG 94 2HH1 ARG 94 -11.613 8.449 5.337
741 1HH2 ARG 94 1HH2 ARG 94 -14.219 10.513 4.258
742 2HH2 ARG 94 2HH2 ARG 94 -12.659 10.456 5.009
743 H THR 95 H THR 95 -16.618 1.956 4.414
744 HA THR 95 HA THR 95 -15.276 2.537 6.871
745 HB THR 95 HB THR 95 -17.522 0.915 5.973
746 HG1 THR 95 HG1 THR 95 -18.069 2.593 7.190
747 1HG2 THR 95 1HG2 THR 95 -15.806 -0.093 8.206
748 2HG2 THR 95 2HG2 THR 95 -16.433 -0.977 6.816
749 3HG2 THR 95 3HG2 THR 95 -17.530 -0.444 8.090
750 H VAL 96 H VAL 96 -15.441 -0.325 4.778
751 HA VAL 96 HA VAL 96 -13.563 -1.882 6.110
752 HB VAL 96 HB VAL 96 -14.046 -1.860 3.129
753 1HG1 VAL 96 1HG1 VAL 96 -13.433 -4.260 3.310
754 2HG1 VAL 96 2HG1 VAL 96 -12.992 -3.981 4.995
755 3HG1 VAL 96 3HG1 VAL 96 -12.108 -3.163 3.706
756 1HG2 VAL 96 1HG2 VAL 96 -15.435 -3.780 4.910
757 2HG2 VAL 96 2HG2 VAL 96 -15.968 -3.045 3.398
758 3HG2 VAL 96 3HG2 VAL 96 -16.025 -2.117 4.897
759 H MET 97 H MET 97 -13.100 0.453 3.479
760 HA MET 97 HA MET 97 -10.315 0.034 3.215
761 1HB MET 97 2HB MET 97 -10.351 2.294 2.103
762 2HB MET 97 1HB MET 97 -11.449 1.105 1.414
763 1HG MET 97 2HG MET 97 -13.116 2.527 1.658
764 2HG MET 97 1HG MET 97 -12.884 2.479 3.405
765 1HE MET 97 1HE MET 97 -10.685 3.539 0.575
766 2HE MET 97 2HE MET 97 -10.316 5.241 0.852
767 3HE MET 97 3HE MET 97 -11.837 4.782 0.085
768 H ASP 98 H ASP 98 -12.280 2.125 5.239
769 HA ASP 98 HA ASP 98 -10.166 3.718 6.235
770 1HB ASP 98 2HB ASP 98 -12.975 3.163 7.087
771 2HB ASP 98 1HB ASP 98 -11.891 3.969 8.218
772 H ASN 99 H ASN 99 -11.482 0.628 7.136
773 HA ASN 99 HA ASN 99 -10.270 0.392 9.674
774 1HB ASN 99 2HB ASN 99 -11.008 -1.789 7.704
775 2HB ASN 99 1HB ASN 99 -10.626 -2.038 9.407
776 1HD2 ASN 99 1HD2 ASN 99 -13.052 -2.696 7.996
777 2HD2 ASN 99 2HD2 ASN 99 -14.328 -1.831 8.775
778 H ILE 100 H ILE 100 -9.167 -0.227 6.413
779 HA ILE 100 HA ILE 100 -6.741 -1.545 7.122
780 HB ILE 100 HB ILE 100 -7.330 -0.034 4.573
781 1HG1 ILE 100 2HG1 ILE 100 -9.095 -1.709 5.126
782 2HG1 ILE 100 1HG1 ILE 100 -8.204 -2.086 3.656
783 1HG2 ILE 100 1HG2 ILE 100 -5.797 -1.990 3.742
784 2HG2 ILE 100 2HG2 ILE 100 -5.250 -1.987 5.419
785 3HG2 ILE 100 3HG2 ILE 100 -5.098 -0.529 4.439
786 1HD1 ILE 100 1HD1 ILE 100 -8.490 -4.109 4.838
787 2HD1 ILE 100 2HD1 ILE 100 -7.938 -3.378 6.351
788 3HD1 ILE 100 3HD1 ILE 100 -6.800 -3.639 5.028
789 H LYS 101 H LYS 101 -7.487 1.751 6.017
790 HA LYS 101 HA LYS 101 -4.870 2.748 6.312
791 1HB LYS 101 2HB LYS 101 -5.756 4.854 5.812
792 2HB LYS 101 1HB LYS 101 -6.860 3.749 5.010
793 1HG LYS 101 2HG LYS 101 -8.376 3.951 6.978
794 2HG LYS 101 1HG LYS 101 -7.305 5.206 7.604
795 1HD LYS 101 2HD LYS 101 -7.641 6.353 5.336
796 2HD LYS 101 1HD LYS 101 -8.998 5.244 5.124
797 1HE LYS 101 2HE LYS 101 -9.625 7.472 6.055
798 2HE LYS 101 1HE LYS 101 -10.094 6.104 7.064
799 1HZ LYS 101 1HZ LYS 101 -7.526 7.444 7.559
800 2HZ LYS 101 2HZ LYS 101 -8.525 6.609 8.639
801 3HZ LYS 101 3HZ LYS 101 -8.952 8.161 8.119
802 H MET 102 H MET 102 -7.455 2.242 8.536
803 HA MET 102 HA MET 102 -6.418 3.962 10.590
804 1HB MET 102 2HB MET 102 -8.660 1.990 10.400
805 2HB MET 102 1HB MET 102 -8.110 2.513 11.987
806 1HG MET 102 2HG MET 102 -8.464 4.873 11.223
807 2HG MET 102 1HG MET 102 -9.235 4.215 9.781
808 1HE MET 102 1HE MET 102 -11.289 2.600 9.862
809 2HE MET 102 2HE MET 102 -12.323 2.353 11.269
810 3HE MET 102 3HE MET 102 -10.734 1.591 11.198
811 H THR 103 H THR 103 -6.320 0.523 9.816
812 HA THR 103 HA THR 103 -4.916 -0.160 12.234
813 HB THR 103 HB THR 103 -6.216 -1.550 10.091
814 HG1 THR 103 HG1 THR 103 -6.616 -1.841 12.319
815 1HG2 THR 103 1HG2 THR 103 -4.070 -2.085 9.209
816 2HG2 THR 103 2HG2 THR 103 -4.744 -3.511 10.001
817 3HG2 THR 103 3HG2 THR 103 -3.492 -2.558 10.805
818 H LEU 104 H LEU 104 -4.073 0.470 8.873
819 HA LEU 104 HA LEU 104 -1.384 -0.347 9.028
820 1HB LEU 104 2HB LEU 104 -2.993 1.351 7.198
821 2HB LEU 104 1HB LEU 104 -1.249 1.523 7.122
822 HG LEU 104 HG LEU 104 -2.694 -1.107 6.805
823 1HD1 LEU 104 1HD1 LEU 104 -1.439 0.459 4.581
824 2HD1 LEU 104 2HD1 LEU 104 -3.126 0.699 5.033
825 3HD1 LEU 104 3HD1 LEU 104 -2.576 -0.887 4.490
826 1HD2 LEU 104 1HD2 LEU 104 -0.138 -0.760 7.511
827 2HD2 LEU 104 2HD2 LEU 104 0.029 -0.627 5.760
828 3HD2 LEU 104 3HD2 LEU 104 -0.677 -2.078 6.471
829 H GLN 105 H GLN 105 -2.971 2.741 9.665
830 HA GLN 105 HA GLN 105 -0.644 4.274 10.027
831 1HB GLN 105 2HB GLN 105 -3.510 4.576 10.578
832 2HB GLN 105 1HB GLN 105 -2.473 5.465 11.686
833 1HG GLN 105 2HG GLN 105 -1.370 6.524 9.752
834 2HG GLN 105 1HG GLN 105 -2.492 5.685 8.685
835 1HE2 GLN 105 1HE2 GLN 105 -2.316 8.399 8.618
836 2HE2 GLN 105 2HE2 GLN 105 -3.752 9.103 9.270
837 H GLN 106 H GLN 106 -2.286 2.028 12.079
838 HA GLN 106 HA GLN 106 -1.156 2.888 14.543
839 1HB GLN 106 2HB GLN 106 -2.410 0.287 13.676
840 2HB GLN 106 1HB GLN 106 -1.831 0.566 15.312
841 1HG GLN 106 2HG GLN 106 -3.397 2.375 15.604
842 2HG GLN 106 1HG GLN 106 -3.921 2.229 13.927
843 1HE2 GLN 106 1HE2 GLN 106 -5.702 2.111 16.026
844 2HE2 GLN 106 2HE2 GLN 106 -6.352 0.514 16.135
845 H ILE 107 H ILE 107 -0.201 0.533 12.097
846 HA ILE 107 HA ILE 107 1.936 -0.593 13.587
847 HB ILE 107 HB ILE 107 1.581 -0.519 10.587
848 1HG1 ILE 107 2HG1 ILE 107 0.805 -2.728 12.496
849 2HG1 ILE 107 1HG1 ILE 107 -0.327 -1.501 11.936
850 1HG2 ILE 107 1HG2 ILE 107 3.809 -1.138 11.034
851 2HG2 ILE 107 2HG2 ILE 107 2.947 -2.651 10.750
852 3HG2 ILE 107 3HG2 ILE 107 3.337 -2.153 12.397
853 1HD1 ILE 107 1HD1 ILE 107 1.211 -3.245 10.045
854 2HD1 ILE 107 2HD1 ILE 107 -0.224 -2.272 9.723
855 3HD1 ILE 107 3HD1 ILE 107 -0.345 -3.718 10.726
856 H ILE 108 H ILE 108 1.840 1.924 11.078
857 HA ILE 108 HA ILE 108 4.589 2.403 10.905
858 HB ILE 108 HB ILE 108 2.642 4.680 10.814
859 1HG1 ILE 108 2HG1 ILE 108 3.080 3.053 8.355
860 2HG1 ILE 108 1HG1 ILE 108 1.910 2.483 9.536
861 1HG2 ILE 108 1HG2 ILE 108 4.686 4.323 8.737
862 2HG2 ILE 108 2HG2 ILE 108 5.298 4.574 10.371
863 3HG2 ILE 108 3HG2 ILE 108 4.218 5.761 9.644
864 1HD1 ILE 108 1HD1 ILE 108 1.083 4.986 9.371
865 2HD1 ILE 108 2HD1 ILE 108 0.536 3.734 8.253
866 3HD1 ILE 108 3HD1 ILE 108 1.816 4.848 7.773
867 H SER 109 H SER 109 2.183 4.187 12.699
868 HA SER 109 HA SER 109 3.787 5.842 14.189
869 1HB SER 109 2HB SER 109 1.250 4.515 15.164
870 2HB SER 109 1HB SER 109 1.958 5.999 15.803
871 HG SER 109 HG SER 109 0.792 5.557 13.266
872 H ARG 110 H ARG 110 3.237 2.439 14.642
873 HA ARG 110 HA ARG 110 4.249 2.300 17.302
874 1HB ARG 110 2HB ARG 110 3.671 0.293 15.162
875 2HB ARG 110 1HB ARG 110 4.612 -0.194 16.562
876 1HG ARG 110 2HG ARG 110 2.819 0.313 18.041
877 2HG ARG 110 1HG ARG 110 1.898 1.087 16.750
878 1HD ARG 110 2HD ARG 110 2.032 -1.207 15.581
879 2HD ARG 110 1HD ARG 110 2.477 -1.825 17.171
880 HE ARG 110 HE ARG 110 -0.126 -1.046 16.304
881 1HH1 ARG 110 1HH1 ARG 110 1.962 -1.204 19.097
882 2HH1 ARG 110 2HH1 ARG 110 0.651 -1.294 20.226
883 1HH2 ARG 110 1HH2 ARG 110 -1.849 -1.164 17.787
884 2HH2 ARG 110 2HH2 ARG 110 -1.512 -1.271 19.483
885 H TYR 111 H TYR 111 5.665 2.181 14.135
886 HA TYR 111 HA TYR 111 8.289 1.518 15.236
887 1HB TYR 111 2HB TYR 111 7.296 1.780 12.394
888 2HB TYR 111 1HB TYR 111 8.978 1.469 12.813
889 HD1 TYR 111 HD1 TYR 111 9.480 -0.628 14.200
890 HD2 TYR 111 HD2 TYR 111 5.780 0.007 12.198
891 HE1 TYR 111 HE1 TYR 111 9.012 -3.039 14.314
892 HE2 TYR 111 HE2 TYR 111 5.302 -2.400 12.308
893 HH TYR 111 HH TYR 111 6.691 -4.545 12.494
894 H LYS 112 H LYS 112 6.513 4.171 13.826
895 HA LYS 112 HA LYS 112 8.728 5.867 13.321
896 1HB LYS 112 2HB LYS 112 5.889 5.988 13.055
897 2HB LYS 112 1HB LYS 112 6.420 7.426 13.916
898 1HG LYS 112 2HG LYS 112 7.113 8.341 12.027
899 2HG LYS 112 1HG LYS 112 8.180 6.969 11.721
900 1HD LYS 112 2HD LYS 112 6.722 5.977 10.295
901 2HD LYS 112 1HD LYS 112 5.305 6.551 11.177
902 1HE LYS 112 2HE LYS 112 5.069 7.930 9.415
903 2HE LYS 112 1HE LYS 112 6.293 8.889 10.245
904 1HZ LYS 112 1HZ LYS 112 6.885 8.580 7.940
905 2HZ LYS 112 2HZ LYS 112 6.791 6.899 8.097
906 3HZ LYS 112 3HZ LYS 112 7.992 7.758 8.921
907 H ASP 113 H ASP 113 6.656 5.320 16.106
908 HA ASP 113 HA ASP 113 7.479 7.508 17.664
909 1HB ASP 113 2HB ASP 113 6.373 4.799 18.399
910 2HB ASP 113 1HB ASP 113 6.727 6.033 19.605
911 H ALA 114 H ALA 114 8.813 4.275 17.255
912 HA ALA 114 HA ALA 114 10.708 4.409 19.346
913 1HB ALA 114 1HB ALA 114 9.852 2.442 17.713
914 2HB ALA 114 2HB ALA 114 11.321 2.343 18.684
915 3HB ALA 114 3HB ALA 114 11.415 2.801 16.983
916 H ASP 115 H ASP 115 10.761 5.448 15.994
917 HA ASP 115 HA ASP 115 13.237 6.905 16.529
918 1HB ASP 115 2HB ASP 115 13.889 4.762 15.458
919 2HB ASP 115 1HB ASP 115 12.868 5.165 14.081
920 H LEU 45 1H LEU 45 -4.397 3.991 -17.235
921 HA LEU 45 HA LEU 45 -3.024 2.261 -17.745
922 1HB LEU 45 2HB LEU 45 -3.463 4.041 -19.516
923 2HB LEU 45 1HB LEU 45 -1.822 4.586 -19.237
924 HG LEU 45 HG LEU 45 -2.320 1.721 -19.937
925 1HD1 LEU 45 1HD1 LEU 45 -2.620 2.091 -22.156
926 2HD1 LEU 45 2HD1 LEU 45 -1.762 3.632 -22.131
927 3HD1 LEU 45 3HD1 LEU 45 -3.420 3.536 -21.535
928 1HD2 LEU 45 1HD2 LEU 45 -0.056 3.644 -19.964
929 2HD2 LEU 45 2HD2 LEU 45 -0.079 2.367 -21.179
930 3HD2 LEU 45 3HD2 LEU 45 -0.101 1.954 -19.465
931 H SER 46 H SER 46 -1.270 5.010 -16.493
932 HA SER 46 HA SER 46 1.062 3.263 -16.047
933 1HB SER 46 2HB SER 46 2.539 5.048 -16.425
934 2HB SER 46 1HB SER 46 1.312 5.265 -17.673
935 HG SER 46 HG SER 46 1.320 7.220 -16.831
936 HA PRO 47 HA PRO 47 1.005 3.827 -11.688
937 1HB PRO 47 2HB PRO 47 3.602 5.281 -11.882
938 2HB PRO 47 1HB PRO 47 3.158 3.903 -10.868
939 1HG PRO 47 2HG PRO 47 4.670 3.556 -13.026
940 2HG PRO 47 1HG PRO 47 3.416 2.377 -12.598
941 1HD PRO 47 2HD PRO 47 3.412 4.460 -14.735
942 2HD PRO 47 1HD PRO 47 2.699 2.834 -14.740
943 H ASP 48 H ASP 48 2.266 6.695 -13.379
944 HA ASP 48 HA ASP 48 1.638 8.585 -11.418
945 1HB ASP 48 2HB ASP 48 1.836 8.867 -14.420
946 2HB ASP 48 1HB ASP 48 1.681 10.231 -13.317
947 H ASP 49 H ASP 49 -0.342 7.013 -13.805
948 HA ASP 49 HA ASP 49 -2.511 8.807 -13.832
949 1HB ASP 49 2HB ASP 49 -2.014 6.805 -15.392
950 2HB ASP 49 1HB ASP 49 -2.824 5.834 -14.166
951 H ILE 50 H ILE 50 -1.859 5.921 -11.882
952 HA ILE 50 HA ILE 50 -4.280 6.003 -10.424
953 HB ILE 50 HB ILE 50 -1.674 4.786 -9.521
954 1HG1 ILE 50 2HG1 ILE 50 -2.178 3.958 -11.743
955 2HG1 ILE 50 1HG1 ILE 50 -2.526 2.696 -10.567
956 1HG2 ILE 50 1HG2 ILE 50 -3.586 5.041 -7.882
957 2HG2 ILE 50 2HG2 ILE 50 -2.967 3.405 -8.108
958 3HG2 ILE 50 3HG2 ILE 50 -4.474 3.894 -8.884
959 1HD1 ILE 50 1HD1 ILE 50 -4.938 3.947 -10.784
960 2HD1 ILE 50 2HD1 ILE 50 -4.457 2.495 -11.662
961 3HD1 ILE 50 3HD1 ILE 50 -4.299 4.078 -12.423
962 H GLU 51 H GLU 51 -1.241 7.618 -10.076
963 HA GLU 51 HA GLU 51 -1.494 8.370 -7.354
964 1HB GLU 51 2HB GLU 51 0.082 9.610 -9.616
965 2HB GLU 51 1HB GLU 51 0.226 10.093 -7.932
966 1HG GLU 51 2HG GLU 51 0.942 7.813 -7.361
967 2HG GLU 51 1HG GLU 51 0.851 7.376 -9.066
968 H GLN 52 H GLN 52 -2.623 9.746 -10.367
969 HA GLN 52 HA GLN 52 -3.312 12.304 -9.431
970 1HB GLN 52 2HB GLN 52 -3.598 10.814 -11.837
971 2HB GLN 52 1HB GLN 52 -5.171 11.487 -11.435
972 1HG GLN 52 2HG GLN 52 -4.107 13.715 -11.231
973 2HG GLN 52 1HG GLN 52 -2.595 12.999 -11.785
974 1HE2 GLN 52 1HE2 GLN 52 -3.247 11.424 -13.803
975 2HE2 GLN 52 2HE2 GLN 52 -4.021 12.299 -15.075
976 H TRP 53 H TRP 53 -4.912 9.218 -9.190
977 HA TRP 53 HA TRP 53 -7.518 10.030 -8.632
978 1HB TRP 53 2HB TRP 53 -5.933 7.634 -7.709
979 2HB TRP 53 1HB TRP 53 -7.639 7.847 -7.329
980 HD1 TRP 53 HD1 TRP 53 -5.961 8.549 -10.744
981 HE1 TRP 53 HE1 TRP 53 -7.098 7.062 -12.510
982 HE3 TRP 53 HE3 TRP 53 -9.051 5.868 -7.679
983 HZ2 TRP 53 HZ2 TRP 53 -9.047 5.022 -12.594
984 HZ3 TRP 53 HZ3 TRP 53 -10.521 4.168 -8.682
985 HH2 TRP 53 HH2 TRP 53 -10.520 3.755 -11.088
986 H PHE 54 H PHE 54 -4.663 10.051 -6.630
987 HA PHE 54 HA PHE 54 -6.247 10.728 -4.265
988 1HB PHE 54 2HB PHE 54 -3.303 10.111 -4.567
989 2HB PHE 54 1HB PHE 54 -4.095 10.496 -3.042
990 HD1 PHE 54 HD1 PHE 54 -5.622 8.920 -2.000
991 HD2 PHE 54 HD2 PHE 54 -3.610 7.976 -5.628
992 HE1 PHE 54 HE1 PHE 54 -6.191 6.545 -1.694
993 HE2 PHE 54 HE2 PHE 54 -4.176 5.601 -5.329
994 HZ PHE 54 HZ PHE 54 -5.469 4.882 -3.360
995 H THR 55 H THR 55 -4.447 12.243 -6.735
996 HA THR 55 HA THR 55 -3.562 14.498 -5.221
997 HB THR 55 HB THR 55 -3.382 13.555 -7.953
998 HG1 THR 55 HG1 THR 55 -1.797 15.270 -6.358
999 1HG2 THR 55 1HG2 THR 55 -4.533 15.441 -8.711
1000 2HG2 THR 55 2HG2 THR 55 -2.826 15.865 -8.833
1001 3HG2 THR 55 3HG2 THR 55 -3.794 16.479 -7.493
1002 H GLU 56 H GLU 56 -6.437 13.657 -6.999
1003 HA GLU 56 HA GLU 56 -7.526 16.217 -7.350
1004 1HB GLU 56 2HB GLU 56 -9.660 15.095 -7.647
1005 2HB GLU 56 1HB GLU 56 -8.391 14.188 -8.458
1006 1HG GLU 56 2HG GLU 56 -8.309 12.643 -6.545
1007 2HG GLU 56 1HG GLU 56 -9.634 13.532 -5.796
1008 H ASP 57 H ASP 57 -8.755 17.532 -6.087
1009 HA ASP 57 HA ASP 57 -9.625 18.466 -4.205
1010 1HB ASP 57 2HB ASP 57 -10.648 15.865 -4.297
1011 2HB ASP 57 1HB ASP 57 -10.092 16.069 -2.637
1012 HA PRO 58 HA PRO 58 -6.228 18.725 -1.396
1013 1HB PRO 58 2HB PRO 58 -7.397 20.008 0.688
1014 2HB PRO 58 1HB PRO 58 -7.011 20.815 -0.838
1015 1HG PRO 58 2HG PRO 58 -9.629 19.717 0.115
1016 2HG PRO 58 1HG PRO 58 -9.293 21.249 -0.712
1017 1HD PRO 58 2HD PRO 58 -10.266 19.076 -2.003
1018 2HD PRO 58 1HD PRO 58 -9.192 20.252 -2.787
Start of MODEL 19
1 HT1 PRO 1 HT2 PRO 1 -14.149 -5.474 10.199
2 HT2 PRO 1 HT1 PRO 1 -13.498 -5.323 11.767
3 HA PRO 1 HA PRO 1 -13.394 -3.568 9.629
4 1HB PRO 1 2HB PRO 1 -14.141 -1.709 11.560
5 2HB PRO 1 1HB PRO 1 -15.109 -2.197 10.164
6 1HG PRO 1 2HG PRO 1 -15.271 -3.113 12.995
7 2HG PRO 1 1HG PRO 1 -16.568 -2.894 11.809
8 1HD PRO 1 2HD PRO 1 -15.619 -5.341 12.499
9 2HD PRO 1 1HD PRO 1 -16.235 -4.984 10.873
10 H SER 2 H SER 2 -11.637 -5.184 11.070
11 HA SER 2 HA SER 2 -9.688 -3.239 11.892
12 1HB SER 2 2HB SER 2 -10.996 -3.535 13.983
13 2HB SER 2 1HB SER 2 -10.639 -5.261 13.937
14 HG SER 2 HG SER 2 -9.209 -3.988 15.283
15 H HIS 3 H HIS 3 -7.871 -3.914 10.994
16 HA HIS 3 HA HIS 3 -6.190 -5.239 10.234
17 1HB HIS 3 2HB HIS 3 -7.361 -7.311 12.102
18 2HB HIS 3 1HB HIS 3 -5.755 -7.354 11.381
19 HD1 HIS 3 HD1 HIS 3 -7.783 -5.404 13.890
20 HD2 HIS 3 HD2 HIS 3 -3.834 -5.905 12.705
21 HE1 HIS 3 HE1 HIS 3 -6.414 -4.164 15.592
22 HE2 HIS 3 HE2 HIS 3 -4.029 -4.415 14.814
23 H SER 4 H SER 4 -8.693 -5.124 8.867
24 HA SER 4 HA SER 4 -8.252 -7.066 6.902
25 1HB SER 4 2HB SER 4 -10.367 -8.367 7.098
26 2HB SER 4 1HB SER 4 -9.235 -8.673 8.420
27 HG SER 4 HG SER 4 -11.230 -8.350 9.328
28 H GLY 5 H GLY 5 -9.950 -7.035 5.197
29 1HA GLY 5 2HA GLY 5 -12.123 -5.441 4.992
30 2HA GLY 5 1HA GLY 5 -10.795 -4.307 4.795
31 H ALA 6 H ALA 6 -12.932 -6.171 3.205
32 HA ALA 6 HA ALA 6 -11.663 -7.477 1.186
33 1HB ALA 6 1HB ALA 6 -14.004 -7.612 1.364
34 2HB ALA 6 2HB ALA 6 -13.652 -6.917 -0.221
35 3HB ALA 6 3HB ALA 6 -14.194 -5.878 1.097
36 H ALA 7 H ALA 7 -10.010 -6.841 0.012
37 HA ALA 7 HA ALA 7 -10.098 -4.154 -1.214
38 1HB ALA 7 1HB ALA 7 -7.846 -3.789 -0.789
39 2HB ALA 7 2HB ALA 7 -7.512 -5.503 -0.541
40 3HB ALA 7 3HB ALA 7 -8.390 -4.589 0.689
41 H ILE 8 H ILE 8 -9.189 -3.940 -3.310
42 HA ILE 8 HA ILE 8 -9.114 -6.467 -4.796
43 HB ILE 8 HB ILE 8 -9.797 -3.672 -5.563
44 1HG1 ILE 8 2HG1 ILE 8 -11.163 -5.657 -7.053
45 2HG1 ILE 8 1HG1 ILE 8 -11.061 -6.234 -5.394
46 1HG2 ILE 8 1HG2 ILE 8 -8.022 -4.093 -7.124
47 2HG2 ILE 8 2HG2 ILE 8 -9.572 -4.208 -7.957
48 3HG2 ILE 8 3HG2 ILE 8 -8.697 -5.672 -7.518
49 1HD1 ILE 8 1HD1 ILE 8 -12.054 -4.154 -4.618
50 2HD1 ILE 8 2HD1 ILE 8 -13.098 -5.016 -5.747
51 3HD1 ILE 8 3HD1 ILE 8 -12.187 -3.604 -6.288
52 H PHE 9 H PHE 9 -7.284 -7.263 -5.498
53 HA PHE 9 HA PHE 9 -4.932 -5.472 -5.569
54 1HB PHE 9 2HB PHE 9 -4.956 -7.421 -3.907
55 2HB PHE 9 1HB PHE 9 -4.781 -8.467 -5.313
56 HD1 PHE 9 HD1 PHE 9 -2.633 -9.298 -5.336
57 HD2 PHE 9 HD2 PHE 9 -3.251 -5.182 -4.451
58 HE1 PHE 9 HE1 PHE 9 -0.199 -8.943 -5.301
59 HE2 PHE 9 HE2 PHE 9 -0.819 -4.819 -4.413
60 HZ PHE 9 HZ PHE 9 0.712 -6.702 -4.840
61 H GLU 10 H GLU 10 -3.869 -5.201 -7.425
62 HA GLU 10 HA GLU 10 -3.383 -5.305 -9.649
63 1HB GLU 10 2HB GLU 10 -3.879 -8.261 -9.297
64 2HB GLU 10 1HB GLU 10 -2.948 -7.504 -10.583
65 1HG GLU 10 2HG GLU 10 -1.346 -6.690 -8.897
66 2HG GLU 10 1HG GLU 10 -2.257 -7.546 -7.654
67 H LYS 11 H LYS 11 -6.120 -4.794 -8.910
68 HA LYS 11 HA LYS 11 -8.059 -4.390 -10.046
69 1HB LYS 11 2HB LYS 11 -7.050 -6.097 -12.320
70 2HB LYS 11 1HB LYS 11 -8.291 -4.855 -12.370
71 1HG LYS 11 2HG LYS 11 -6.550 -3.165 -11.856
72 2HG LYS 11 1HG LYS 11 -5.337 -4.440 -11.978
73 1HD LYS 11 2HD LYS 11 -6.111 -4.877 -14.299
74 2HD LYS 11 1HD LYS 11 -7.197 -3.492 -14.157
75 1HE LYS 11 2HE LYS 11 -5.257 -2.040 -13.738
76 2HE LYS 11 1HE LYS 11 -4.189 -3.429 -13.930
77 1HZ LYS 11 1HZ LYS 11 -4.748 -1.804 -15.914
78 2HZ LYS 11 2HZ LYS 11 -6.052 -2.863 -16.104
79 3HZ LYS 11 3HZ LYS 11 -4.469 -3.455 -16.164
80 H VAL 12 H VAL 12 -6.955 -7.205 -8.871
81 HA VAL 12 HA VAL 12 -9.340 -8.749 -9.554
82 HB VAL 12 HB VAL 12 -6.712 -9.555 -8.314
83 1HG1 VAL 12 1HG1 VAL 12 -8.350 -10.753 -7.042
84 2HG1 VAL 12 2HG1 VAL 12 -7.684 -11.868 -8.236
85 3HG1 VAL 12 3HG1 VAL 12 -9.271 -11.143 -8.496
86 1HG2 VAL 12 1HG2 VAL 12 -8.206 -10.245 -10.815
87 2HG2 VAL 12 2HG2 VAL 12 -6.805 -11.158 -10.252
88 3HG2 VAL 12 3HG2 VAL 12 -6.635 -9.450 -10.674
89 H SER 13 H SER 13 -10.541 -9.735 -7.874
90 HA SER 13 HA SER 13 -10.645 -7.968 -5.551
91 1HB SER 13 2HB SER 13 -12.877 -8.860 -5.168
92 2HB SER 13 1HB SER 13 -12.693 -8.242 -6.806
93 HG SER 13 HG SER 13 -13.752 -10.309 -6.694
94 H GLY 14 H GLY 14 -10.805 -8.641 -3.465
95 1HA GLY 14 2HA GLY 14 -10.786 -11.235 -2.462
96 2HA GLY 14 1HA GLY 14 -9.107 -10.751 -2.682
97 H ILE 15 H ILE 15 -9.564 -11.177 -0.150
98 HA ILE 15 HA ILE 15 -10.336 -8.585 0.980
99 HB ILE 15 HB ILE 15 -10.200 -11.269 2.356
100 1HG1 ILE 15 2HG1 ILE 15 -12.423 -11.441 2.044
101 2HG1 ILE 15 1HG1 ILE 15 -12.688 -9.799 2.606
102 1HG2 ILE 15 1HG2 ILE 15 -11.085 -10.045 4.340
103 2HG2 ILE 15 2HG2 ILE 15 -10.789 -8.531 3.482
104 3HG2 ILE 15 3HG2 ILE 15 -9.433 -9.590 3.909
105 1HD1 ILE 15 1HD1 ILE 15 -12.103 -9.019 0.302
106 2HD1 ILE 15 2HD1 ILE 15 -13.588 -9.956 0.437
107 3HD1 ILE 15 3HD1 ILE 15 -12.126 -10.712 -0.197
108 H ILE 16 H ILE 16 -9.026 -7.488 2.339
109 HA ILE 16 HA ILE 16 -6.228 -8.376 2.335
110 HB ILE 16 HB ILE 16 -7.462 -5.850 1.752
111 1HG1 ILE 16 2HG1 ILE 16 -4.566 -6.708 1.843
112 2HG1 ILE 16 1HG1 ILE 16 -5.649 -6.856 0.464
113 1HG2 ILE 16 1HG2 ILE 16 -7.245 -5.235 4.044
114 2HG2 ILE 16 2HG2 ILE 16 -6.048 -4.361 3.095
115 3HG2 ILE 16 3HG2 ILE 16 -5.559 -5.748 4.071
116 1HD1 ILE 16 1HD1 ILE 16 -5.088 -4.183 1.675
117 2HD1 ILE 16 2HD1 ILE 16 -5.629 -4.581 0.043
118 3HD1 ILE 16 3HD1 ILE 16 -3.966 -4.916 0.529
119 H ALA 17 H ALA 17 -5.539 -9.163 4.193
120 HA ALA 17 HA ALA 17 -6.781 -8.184 6.675
121 1HB ALA 17 1HB ALA 17 -5.712 -10.964 6.276
122 2HB ALA 17 2HB ALA 17 -7.398 -10.519 5.976
123 3HB ALA 17 3HB ALA 17 -6.711 -10.358 7.598
124 H ILE 18 H ILE 18 -5.504 -7.502 8.255
125 HA ILE 18 HA ILE 18 -2.605 -7.625 7.805
126 HB ILE 18 HB ILE 18 -4.315 -5.669 9.339
127 1HG1 ILE 18 2HG1 ILE 18 -2.432 -5.181 7.031
128 2HG1 ILE 18 1HG1 ILE 18 -4.138 -5.554 6.807
129 1HG2 ILE 18 1HG2 ILE 18 -2.571 -5.303 10.664
130 2HG2 ILE 18 2HG2 ILE 18 -1.760 -4.621 9.253
131 3HG2 ILE 18 3HG2 ILE 18 -1.509 -6.314 9.682
132 1HD1 ILE 18 1HD1 ILE 18 -3.029 -3.189 8.300
133 2HD1 ILE 18 2HD1 ILE 18 -4.739 -3.560 8.067
134 3HD1 ILE 18 3HD1 ILE 18 -3.724 -3.169 6.679
135 H ASN 19 H ASN 19 -1.226 -8.370 9.355
136 HA ASN 19 HA ASN 19 -2.390 -9.302 11.888
137 1HB ASN 19 2HB ASN 19 -2.109 -11.175 10.213
138 2HB ASN 19 1HB ASN 19 -0.373 -10.891 10.298
139 1HD2 ASN 19 1HD2 ASN 19 -0.377 -13.152 10.985
140 2HD2 ASN 19 2HD2 ASN 19 -0.617 -13.507 12.657
141 H GLU 20 H GLU 20 -1.426 -8.163 13.432
142 HA GLU 20 HA GLU 20 1.311 -7.241 13.082
143 1HB GLU 20 2HB GLU 20 -0.683 -6.718 15.295
144 2HB GLU 20 1HB GLU 20 0.903 -5.971 15.167
145 1HG GLU 20 2HG GLU 20 0.219 -4.976 13.013
146 2HG GLU 20 1HG GLU 20 -1.391 -5.653 13.248
147 H ASP 21 H ASP 21 0.129 -10.078 13.968
148 HA ASP 21 HA ASP 21 1.533 -10.528 16.438
149 1HB ASP 21 2HB ASP 21 -0.556 -11.752 15.774
150 2HB ASP 21 1HB ASP 21 0.384 -12.570 14.529
151 H VAL 22 H VAL 22 2.307 -10.522 13.116
152 HA VAL 22 HA VAL 22 4.654 -12.215 13.503
153 HB VAL 22 HB VAL 22 4.821 -11.526 10.912
154 1HG1 VAL 22 1HG1 VAL 22 4.042 -13.680 10.397
155 2HG1 VAL 22 2HG1 VAL 22 2.937 -13.696 11.775
156 3HG1 VAL 22 3HG1 VAL 22 4.679 -13.799 12.039
157 1HG2 VAL 22 1HG2 VAL 22 2.722 -10.156 11.136
158 2HG2 VAL 22 2HG2 VAL 22 1.852 -11.675 11.358
159 3HG2 VAL 22 3HG2 VAL 22 2.710 -11.364 9.848
160 H SER 23 H SER 23 6.742 -11.477 13.186
161 HA SER 23 HA SER 23 7.029 -8.551 13.040
162 1HB SER 23 2HB SER 23 7.773 -9.033 15.180
163 2HB SER 23 1HB SER 23 8.428 -10.601 14.713
164 HG SER 23 HG SER 23 9.508 -8.117 13.873
165 HA PRO 24 HA PRO 24 7.682 -7.072 12.085
166 1HB PRO 24 2HB PRO 24 7.742 -6.141 9.383
167 2HB PRO 24 1HB PRO 24 8.759 -5.629 10.729
168 1HG PRO 24 2HG PRO 24 9.632 -7.021 8.495
169 2HG PRO 24 1HG PRO 24 10.498 -6.904 10.036
170 1HD PRO 24 2HD PRO 24 8.825 -9.123 8.960
171 2HD PRO 24 1HD PRO 24 10.278 -9.192 9.979
172 H ALA 25 H ALA 25 5.563 -6.442 11.994
173 HA ALA 25 HA ALA 25 3.569 -8.142 11.210
174 1HB ALA 25 1HB ALA 25 3.043 -6.337 12.660
175 2HB ALA 25 2HB ALA 25 2.065 -6.125 11.209
176 3HB ALA 25 3HB ALA 25 3.510 -5.142 11.452
177 H GLU 26 H GLU 26 2.337 -8.502 9.399
178 HA GLU 26 HA GLU 26 3.012 -6.965 6.987
179 1HB GLU 26 2HB GLU 26 2.735 -9.971 7.039
180 2HB GLU 26 1HB GLU 26 3.182 -8.972 5.663
181 1HG GLU 26 2HG GLU 26 5.216 -8.278 6.956
182 2HG GLU 26 1HG GLU 26 4.790 -9.511 8.142
183 H LEU 27 H LEU 27 1.484 -7.420 5.177
184 HA LEU 27 HA LEU 27 -1.252 -7.863 6.178
185 1HB LEU 27 2HB LEU 27 -0.979 -5.522 5.718
186 2HB LEU 27 1HB LEU 27 -0.230 -5.857 4.170
187 HG LEU 27 HG LEU 27 -3.047 -6.737 4.664
188 1HD1 LEU 27 1HD1 LEU 27 -2.702 -4.115 3.385
189 2HD1 LEU 27 2HD1 LEU 27 -2.393 -4.150 5.121
190 3HD1 LEU 27 3HD1 LEU 27 -3.950 -4.686 4.492
191 1HD2 LEU 27 1HD2 LEU 27 -2.825 -5.800 2.110
192 2HD2 LEU 27 2HD2 LEU 27 -2.620 -7.482 2.595
193 3HD2 LEU 27 3HD2 LEU 27 -1.209 -6.441 2.406
194 H THR 28 H THR 28 -2.359 -9.433 5.148
195 HA THR 28 HA THR 28 -1.234 -10.427 2.614
196 HB THR 28 HB THR 28 -2.760 -11.982 4.705
197 HG1 THR 28 HG1 THR 28 0.000 -11.823 4.105
198 1HG2 THR 28 1HG2 THR 28 -1.439 -12.827 2.149
199 2HG2 THR 28 2HG2 THR 28 -3.107 -13.085 2.658
200 3HG2 THR 28 3HG2 THR 28 -1.796 -13.947 3.463
201 H TRP 29 H TRP 29 -2.452 -10.434 0.876
202 HA TRP 29 HA TRP 29 -5.286 -9.779 1.089
203 1HB TRP 29 2HB TRP 29 -3.992 -8.283 -0.322
204 2HB TRP 29 1HB TRP 29 -3.334 -9.646 -1.222
205 HD1 TRP 29 HD1 TRP 29 -6.763 -8.033 -0.545
206 HE1 TRP 29 HE1 TRP 29 -8.216 -8.293 -2.657
207 HE3 TRP 29 HE3 TRP 29 -3.540 -10.789 -3.372
208 HZ2 TRP 29 HZ2 TRP 29 -8.008 -9.528 -5.194
209 HZ3 TRP 29 HZ3 TRP 29 -4.240 -11.479 -5.631
210 HH2 TRP 29 HH2 TRP 29 -6.425 -10.862 -6.519
211 H ARG 30 H ARG 30 -6.801 -11.262 0.572
212 HA ARG 30 HA ARG 30 -5.907 -13.688 -0.844
213 1HB ARG 30 2HB ARG 30 -6.274 -14.161 1.537
214 2HB ARG 30 1HB ARG 30 -7.912 -13.534 1.413
215 1HG ARG 30 2HG ARG 30 -8.703 -15.423 0.507
216 2HG ARG 30 1HG ARG 30 -7.276 -15.653 -0.507
217 1HD ARG 30 2HD ARG 30 -6.039 -16.530 1.386
218 2HD ARG 30 1HD ARG 30 -7.408 -16.222 2.453
219 HE ARG 30 HE ARG 30 -8.116 -17.918 0.273
220 1HH1 ARG 30 1HH1 ARG 30 -6.550 -17.881 3.391
221 2HH1 ARG 30 2HH1 ARG 30 -6.872 -19.551 3.714
222 1HH2 ARG 30 1HH2 ARG 30 -8.543 -20.116 0.696
223 2HH2 ARG 30 2HH2 ARG 30 -8.004 -20.821 2.184
224 H SER 31 H SER 31 -6.835 -13.817 -2.764
225 HA SER 31 HA SER 31 -8.811 -12.260 -3.811
226 1HB SER 31 2HB SER 31 -9.269 -14.305 -5.349
227 2HB SER 31 1HB SER 31 -7.660 -13.583 -5.359
228 HG SER 31 HG SER 31 -8.277 -15.719 -3.627
229 H THR 32 H THR 32 -11.044 -12.938 -4.535
230 HA THR 32 HA THR 32 -12.589 -13.610 -2.232
231 HB THR 32 HB THR 32 -14.141 -13.670 -4.647
232 HG1 THR 32 HG1 THR 32 -13.396 -12.041 -5.755
233 1HG2 THR 32 1HG2 THR 32 -15.226 -11.730 -3.745
234 2HG2 THR 32 2HG2 THR 32 -13.906 -11.481 -2.601
235 3HG2 THR 32 3HG2 THR 32 -14.948 -12.898 -2.453
236 H ASP 33 H ASP 33 -11.795 -15.118 -5.275
237 HA ASP 33 HA ASP 33 -13.308 -17.477 -4.709
238 1HB ASP 33 2HB ASP 33 -12.391 -18.318 -6.844
239 2HB ASP 33 1HB ASP 33 -13.133 -16.732 -7.013
240 H GLY 34 H GLY 34 -10.142 -16.363 -4.073
241 1HA GLY 34 2HA GLY 34 -8.590 -17.393 -2.659
242 2HA GLY 34 1HA GLY 34 -9.490 -18.895 -2.806
243 H ASP 35 H ASP 35 -8.394 -16.954 -5.522
244 HA ASP 35 HA ASP 35 -6.656 -19.189 -6.303
245 1HB ASP 35 2HB ASP 35 -8.049 -17.107 -7.988
246 2HB ASP 35 1HB ASP 35 -6.899 -18.280 -8.625
247 H LYS 36 H LYS 36 -6.677 -15.851 -5.488
248 HA LYS 36 HA LYS 36 -3.816 -15.700 -6.162
249 1HB LYS 36 2HB LYS 36 -5.607 -13.286 -6.217
250 2HB LYS 36 1HB LYS 36 -4.002 -13.476 -6.909
251 1HG LYS 36 2HG LYS 36 -5.534 -15.403 -8.190
252 2HG LYS 36 1HG LYS 36 -6.594 -13.997 -8.075
253 1HD LYS 36 2HD LYS 36 -3.815 -14.063 -9.250
254 2HD LYS 36 1HD LYS 36 -5.330 -13.927 -10.145
255 1HE LYS 36 2HE LYS 36 -4.915 -11.721 -10.049
256 2HE LYS 36 1HE LYS 36 -5.569 -11.855 -8.418
257 1HZ LYS 36 1HZ LYS 36 -3.538 -11.619 -7.484
258 2HZ LYS 36 2HZ LYS 36 -3.220 -10.780 -8.917
259 3HZ LYS 36 3HZ LYS 36 -2.721 -12.389 -8.752
260 H VAL 37 H VAL 37 -2.489 -15.005 -4.589
261 HA VAL 37 HA VAL 37 -3.633 -13.665 -2.250
262 HB VAL 37 HB VAL 37 -3.523 -16.094 -1.743
263 1HG1 VAL 37 1HG1 VAL 37 -1.662 -17.361 -1.937
264 2HG1 VAL 37 2HG1 VAL 37 -0.580 -16.033 -1.519
265 3HG1 VAL 37 3HG1 VAL 37 -1.238 -16.154 -3.150
266 1HG2 VAL 37 1HG2 VAL 37 -3.466 -14.944 0.219
267 2HG2 VAL 37 2HG2 VAL 37 -2.030 -14.024 -0.233
268 3HG2 VAL 37 3HG2 VAL 37 -1.873 -15.697 0.303
269 H HIS 38 H HIS 38 -2.333 -12.145 -1.345
270 HA HIS 38 HA HIS 38 0.471 -12.015 -2.196
271 1HB HIS 38 2HB HIS 38 -1.021 -10.517 -3.616
272 2HB HIS 38 1HB HIS 38 -1.274 -9.564 -2.158
273 HD1 HIS 38 HD1 HIS 38 1.708 -10.843 -4.156
274 HD2 HIS 38 HD2 HIS 38 0.506 -7.553 -1.921
275 HE1 HIS 38 HE1 HIS 38 3.600 -9.193 -4.317
276 HE2 HIS 38 HE2 HIS 38 2.811 -7.176 -3.030
277 H THR 39 H THR 39 1.865 -11.034 -0.767
278 HA THR 39 HA THR 39 0.727 -10.237 1.830
279 HB THR 39 HB THR 39 3.229 -11.888 1.423
280 HG1 THR 39 HG1 THR 39 0.620 -12.577 2.270
281 1HG2 THR 39 1HG2 THR 39 1.996 -10.651 3.815
282 2HG2 THR 39 2HG2 THR 39 3.694 -10.929 3.424
283 3HG2 THR 39 3HG2 THR 39 2.683 -12.267 3.975
284 H VAL 40 H VAL 40 1.520 -8.409 2.705
285 HA VAL 40 HA VAL 40 3.904 -7.206 1.455
286 HB VAL 40 HB VAL 40 1.437 -5.749 2.418
287 1HG1 VAL 40 1HG1 VAL 40 2.970 -3.922 1.071
288 2HG1 VAL 40 2HG1 VAL 40 4.187 -4.867 1.935
289 3HG1 VAL 40 3HG1 VAL 40 2.880 -4.081 2.827
290 1HG2 VAL 40 1HG2 VAL 40 1.075 -6.797 0.264
291 2HG2 VAL 40 2HG2 VAL 40 2.575 -6.104 -0.354
292 3HG2 VAL 40 3HG2 VAL 40 1.223 -5.049 0.065
293 H VAL 41 H VAL 41 5.365 -6.245 2.771
294 HA VAL 41 HA VAL 41 5.142 -6.809 5.612
295 HB VAL 41 HB VAL 41 7.280 -7.300 4.703
296 1HG1 VAL 41 1HG1 VAL 41 8.632 -5.451 3.585
297 2HG1 VAL 41 2HG1 VAL 41 7.090 -4.611 3.405
298 3HG1 VAL 41 3HG1 VAL 41 7.327 -6.190 2.658
299 1HG2 VAL 41 1HG2 VAL 41 8.801 -5.634 5.842
300 2HG2 VAL 41 2HG2 VAL 41 7.562 -6.368 6.856
301 3HG2 VAL 41 3HG2 VAL 41 7.349 -4.724 6.253
302 H LEU 42 H LEU 42 4.213 -5.380 6.926
303 HA LEU 42 HA LEU 42 3.614 -2.725 6.071
304 1HB LEU 42 2HB LEU 42 3.285 -4.000 8.785
305 2HB LEU 42 1HB LEU 42 2.578 -2.477 8.282
306 HG LEU 42 HG LEU 42 1.940 -5.192 7.123
307 1HD1 LEU 42 1HD1 LEU 42 -0.167 -3.583 8.370
308 2HD1 LEU 42 2HD1 LEU 42 1.072 -4.164 9.484
309 3HD1 LEU 42 3HD1 LEU 42 0.171 -5.310 8.491
310 1HD2 LEU 42 1HD2 LEU 42 1.580 -3.818 5.320
311 2HD2 LEU 42 2HD2 LEU 42 1.208 -2.416 6.324
312 3HD2 LEU 42 3HD2 LEU 42 0.019 -3.704 6.133
313 H SER 43 H SER 43 6.082 -4.161 8.073
314 HA SER 43 HA SER 43 6.913 -1.975 9.556
315 1HB SER 43 2HB SER 43 7.875 -4.044 10.116
316 2HB SER 43 1HB SER 43 8.405 -4.346 8.461
317 HG SER 43 HG SER 43 9.532 -2.708 10.430
318 H THR 44 H THR 44 7.237 -2.516 6.176
319 HA THR 44 HA THR 44 9.296 -0.462 5.928
320 HB THR 44 HB THR 44 9.863 -1.368 3.934
321 HG1 THR 44 HG1 THR 44 8.475 -1.403 2.372
322 1HG2 THR 44 1HG2 THR 44 9.719 -3.352 5.376
323 2HG2 THR 44 2HG2 THR 44 9.433 -3.714 3.675
324 3HG2 THR 44 3HG2 THR 44 8.076 -3.621 4.797
325 H ILE 45 H ILE 45 5.905 -0.874 5.607
326 HA ILE 45 HA ILE 45 5.270 1.083 3.738
327 HB ILE 45 HB ILE 45 3.698 0.319 6.201
328 1HG1 ILE 45 2HG1 ILE 45 4.265 -1.565 4.678
329 2HG1 ILE 45 1HG1 ILE 45 2.536 -1.246 4.760
330 1HG2 ILE 45 1HG2 ILE 45 1.835 1.023 4.400
331 2HG2 ILE 45 2HG2 ILE 45 3.134 2.120 3.931
332 3HG2 ILE 45 3HG2 ILE 45 2.513 2.143 5.582
333 1HD1 ILE 45 1HD1 ILE 45 3.690 0.266 2.626
334 2HD1 ILE 45 2HD1 ILE 45 2.448 -0.985 2.568
335 3HD1 ILE 45 3HD1 ILE 45 4.153 -1.430 2.482
336 H ASP 46 H ASP 46 6.627 2.860 3.980
337 HA ASP 46 HA ASP 46 6.832 4.314 6.428
338 1HB ASP 46 2HB ASP 46 8.384 4.201 4.242
339 2HB ASP 46 1HB ASP 46 7.474 5.660 3.863
340 H LYS 47 H LYS 47 4.712 4.449 3.662
341 HA LYS 47 HA LYS 47 3.218 6.588 4.991
342 1HB LYS 47 2HB LYS 47 4.279 6.639 2.187
343 2HB LYS 47 1HB LYS 47 2.839 7.548 2.612
344 1HG LYS 47 2HG LYS 47 4.360 8.482 4.520
345 2HG LYS 47 1HG LYS 47 5.665 7.935 3.466
346 1HD LYS 47 2HD LYS 47 5.280 10.192 2.889
347 2HD LYS 47 1HD LYS 47 4.525 9.235 1.613
348 1HE LYS 47 2HE LYS 47 2.348 9.518 2.683
349 2HE LYS 47 1HE LYS 47 3.098 10.454 3.975
350 1HZ LYS 47 1HZ LYS 47 2.580 11.210 1.191
351 2HZ LYS 47 2HZ LYS 47 3.920 11.888 1.970
352 3HZ LYS 47 3HZ LYS 47 2.369 12.111 2.609
353 H LEU 48 H LEU 48 1.027 6.596 4.633
354 HA LEU 48 HA LEU 48 -0.076 4.481 2.941
355 1HB LEU 48 2HB LEU 48 -0.795 3.337 4.702
356 2HB LEU 48 1HB LEU 48 -0.069 4.514 5.776
357 HG LEU 48 HG LEU 48 -2.271 5.844 5.326
358 1HD1 LEU 48 1HD1 LEU 48 -2.881 3.936 3.643
359 2HD1 LEU 48 2HD1 LEU 48 -4.125 4.681 4.647
360 3HD1 LEU 48 3HD1 LEU 48 -3.443 3.119 5.101
361 1HD2 LEU 48 1HD2 LEU 48 -1.337 4.564 7.426
362 2HD2 LEU 48 2HD2 LEU 48 -2.669 3.467 7.067
363 3HD2 LEU 48 3HD2 LEU 48 -2.992 5.170 7.391
364 H GLN 49 H GLN 49 -1.558 5.248 1.573
365 HA GLN 49 HA GLN 49 -2.948 7.741 2.301
366 1HB GLN 49 2HB GLN 49 -1.775 6.988 -0.379
367 2HB GLN 49 1HB GLN 49 -2.849 8.357 -0.124
368 1HG GLN 49 2HG GLN 49 -1.237 9.366 1.387
369 2HG GLN 49 1HG GLN 49 -0.168 7.978 1.191
370 1HE2 GLN 49 1HE2 GLN 49 0.713 10.518 0.674
371 2HE2 GLN 49 2HE2 GLN 49 0.981 10.706 -1.022
372 H ALA 50 H ALA 50 -5.061 7.969 1.655
373 HA ALA 50 HA ALA 50 -6.314 5.681 0.299
374 1HB ALA 50 1HB ALA 50 -6.553 5.682 2.862
375 2HB ALA 50 2HB ALA 50 -8.007 5.460 1.888
376 3HB ALA 50 3HB ALA 50 -7.663 7.030 2.614
377 H THR 51 H THR 51 -8.379 6.180 -0.694
378 HA THR 51 HA THR 51 -8.363 8.773 -1.913
379 HB THR 51 HB THR 51 -10.413 7.941 -3.087
380 HG1 THR 51 HG1 THR 51 -11.328 6.128 -2.507
381 1HG2 THR 51 1HG2 THR 51 -8.241 5.869 -3.154
382 2HG2 THR 51 2HG2 THR 51 -8.108 7.445 -3.935
383 3HG2 THR 51 3HG2 THR 51 -9.362 6.314 -4.441
384 HA PRO 52 HA PRO 52 -10.869 10.882 1.084
385 1HB PRO 52 2HB PRO 52 -11.864 12.830 -0.590
386 2HB PRO 52 1HB PRO 52 -10.278 12.891 0.185
387 1HG PRO 52 2HG PRO 52 -11.001 12.054 -2.593
388 2HG PRO 52 1HG PRO 52 -9.623 13.023 -2.036
389 1HD PRO 52 2HD PRO 52 -9.349 10.432 -2.676
390 2HD PRO 52 1HD PRO 52 -8.435 11.158 -1.337
391 H ALA 53 H ALA 53 -13.049 11.224 1.631
392 HA ALA 53 HA ALA 53 -14.869 9.331 0.633
393 1HB ALA 53 1HB ALA 53 -15.476 9.861 2.742
394 2HB ALA 53 2HB ALA 53 -16.505 11.033 1.917
395 3HB ALA 53 3HB ALA 53 -14.955 11.539 2.589
396 H SER 54 H SER 54 -14.567 12.817 0.060
397 HA SER 54 HA SER 54 -16.880 13.175 -1.460
398 1HB SER 54 2HB SER 54 -14.241 14.622 -1.777
399 2HB SER 54 1HB SER 54 -15.817 15.198 -2.323
400 HG SER 54 HG SER 54 -15.294 16.133 -0.336
401 H SER 55 H SER 55 -13.837 11.761 -2.264
402 HA SER 55 HA SER 55 -14.258 11.830 -5.104
403 1HB SER 55 2HB SER 55 -11.979 11.937 -4.320
404 2HB SER 55 1HB SER 55 -12.185 10.448 -3.397
405 HG SER 55 HG SER 55 -12.034 10.797 -6.193
406 H GLU 56 H GLU 56 -15.522 10.484 -6.165
407 HA GLU 56 HA GLU 56 -16.887 8.338 -5.023
408 1HB GLU 56 2HB GLU 56 -16.230 8.859 -7.928
409 2HB GLU 56 1HB GLU 56 -17.407 7.679 -7.367
410 1HG GLU 56 2HG GLU 56 -18.700 9.496 -6.327
411 2HG GLU 56 1HG GLU 56 -17.541 10.660 -6.969
412 H LYS 57 H LYS 57 -13.667 8.567 -6.131
413 HA LYS 57 HA LYS 57 -13.162 5.928 -6.940
414 1HB LYS 57 2HB LYS 57 -11.214 7.750 -5.524
415 2HB LYS 57 1HB LYS 57 -10.832 6.428 -6.619
416 1HG LYS 57 2HG LYS 57 -12.147 9.041 -7.322
417 2HG LYS 57 1HG LYS 57 -10.524 8.509 -7.765
418 1HD LYS 57 2HD LYS 57 -11.680 6.552 -8.935
419 2HD LYS 57 1HD LYS 57 -13.170 7.478 -8.751
420 1HE LYS 57 2HE LYS 57 -10.843 8.911 -9.881
421 2HE LYS 57 1HE LYS 57 -11.578 7.670 -10.896
422 1HZ LYS 57 1HZ LYS 57 -12.751 10.172 -9.888
423 2HZ LYS 57 2HZ LYS 57 -13.760 8.869 -10.261
424 3HZ LYS 57 3HZ LYS 57 -12.770 9.537 -11.456
425 H MET 58 H MET 58 -12.264 4.161 -5.840
426 HA MET 58 HA MET 58 -12.425 4.229 -2.902
427 1HB MET 58 2HB MET 58 -13.433 1.912 -4.548
428 2HB MET 58 1HB MET 58 -13.630 2.175 -2.822
429 1HG MET 58 2HG MET 58 -14.766 4.193 -4.676
430 2HG MET 58 1HG MET 58 -15.575 2.635 -4.543
431 1HE MET 58 1HE MET 58 -16.190 1.565 -2.254
432 2HE MET 58 2HE MET 58 -16.455 2.464 -0.760
433 3HE MET 58 3HE MET 58 -14.814 2.077 -1.275
434 H MET 59 H MET 59 -10.072 4.393 -3.089
435 HA MET 59 HA MET 59 -8.867 1.746 -3.276
436 1HB MET 59 2HB MET 59 -8.181 4.061 -5.040
437 2HB MET 59 1HB MET 59 -6.917 2.935 -4.565
438 1HG MET 59 2HG MET 59 -7.611 1.391 -6.002
439 2HG MET 59 1HG MET 59 -9.294 1.575 -5.517
440 1HE MET 59 1HE MET 59 -7.165 4.393 -8.416
441 2HE MET 59 2HE MET 59 -6.596 3.805 -6.854
442 3HE MET 59 3HE MET 59 -7.804 5.091 -6.926
443 H LEU 60 H LEU 60 -6.531 1.809 -2.608
444 HA LEU 60 HA LEU 60 -5.842 3.973 -0.779
445 1HB LEU 60 2HB LEU 60 -7.058 1.696 0.189
446 2HB LEU 60 1HB LEU 60 -5.356 1.333 0.394
447 HG LEU 60 HG LEU 60 -6.374 3.963 1.360
448 1HD1 LEU 60 1HD1 LEU 60 -7.549 3.177 3.099
449 2HD1 LEU 60 2HD1 LEU 60 -6.473 1.800 3.336
450 3HD1 LEU 60 3HD1 LEU 60 -7.734 1.733 2.103
451 1HD2 LEU 60 1HD2 LEU 60 -3.937 2.740 1.391
452 2HD2 LEU 60 2HD2 LEU 60 -4.567 2.339 2.989
453 3HD2 LEU 60 3HD2 LEU 60 -4.442 4.025 2.487
454 H ARG 61 H ARG 61 -3.700 4.412 -0.864
455 HA ARG 61 HA ARG 61 -1.994 2.455 -2.256
456 1HB ARG 61 2HB ARG 61 -2.528 4.836 -3.220
457 2HB ARG 61 1HB ARG 61 -1.292 5.354 -2.082
458 1HG ARG 61 2HG ARG 61 -0.588 3.064 -3.797
459 2HG ARG 61 1HG ARG 61 -0.780 4.620 -4.609
460 1HD ARG 61 2HD ARG 61 0.924 4.245 -2.157
461 2HD ARG 61 1HD ARG 61 1.549 4.068 -3.795
462 HE ARG 61 HE ARG 61 0.900 6.519 -2.440
463 1HH1 ARG 61 1HH1 ARG 61 1.307 4.988 -5.550
464 2HH1 ARG 61 2HH1 ARG 61 1.647 6.472 -6.375
465 1HH2 ARG 61 1HH2 ARG 61 1.347 8.472 -3.524
466 2HH2 ARG 61 2HH2 ARG 61 1.669 8.449 -5.226
467 H LEU 62 H LEU 62 -0.208 1.709 -1.321
468 HA LEU 62 HA LEU 62 0.597 2.855 1.277
469 1HB LEU 62 2HB LEU 62 0.867 0.060 0.167
470 2HB LEU 62 1HB LEU 62 1.663 0.593 1.633
471 HG LEU 62 HG LEU 62 -0.221 0.431 2.878
472 1HD1 LEU 62 1HD1 LEU 62 -1.924 1.099 0.483
473 2HD1 LEU 62 2HD1 LEU 62 -1.370 2.257 1.694
474 3HD1 LEU 62 3HD1 LEU 62 -2.466 0.955 2.156
475 1HD2 LEU 62 1HD2 LEU 62 -1.124 -1.236 0.538
476 2HD2 LEU 62 2HD2 LEU 62 -1.586 -1.437 2.229
477 3HD2 LEU 62 3HD2 LEU 62 0.076 -1.744 1.726
478 H ILE 63 H ILE 63 2.743 3.396 1.616
479 HA ILE 63 HA ILE 63 4.480 3.211 -0.760
480 HB ILE 63 HB ILE 63 5.174 5.128 1.397
481 1HG1 ILE 63 2HG1 ILE 63 2.821 5.618 1.213
482 2HG1 ILE 63 1HG1 ILE 63 3.713 6.869 0.357
483 1HG2 ILE 63 1HG2 ILE 63 6.708 5.178 -0.298
484 2HG2 ILE 63 2HG2 ILE 63 5.610 6.460 -0.817
485 3HG2 ILE 63 3HG2 ILE 63 5.507 4.857 -1.548
486 1HD1 ILE 63 1HD1 ILE 63 2.800 4.584 -1.252
487 2HD1 ILE 63 2HD1 ILE 63 2.854 6.305 -1.631
488 3HD1 ILE 63 3HD1 ILE 63 1.561 5.665 -0.619
489 H GLY 64 H GLY 64 6.283 2.053 -0.627
490 1HA GLY 64 2HA GLY 64 7.023 0.933 1.970
491 2HA GLY 64 1HA GLY 64 7.579 0.370 0.402
492 H LYS 65 H LYS 65 8.743 1.547 3.099
493 HA LYS 65 HA LYS 65 10.182 3.822 2.737
494 1HB LYS 65 2HB LYS 65 10.806 1.266 4.159
495 2HB LYS 65 1HB LYS 65 12.042 2.513 4.059
496 1HG LYS 65 2HG LYS 65 10.455 4.109 5.085
497 2HG LYS 65 1HG LYS 65 9.304 2.787 5.276
498 1HD LYS 65 2HD LYS 65 10.959 1.582 6.651
499 2HD LYS 65 1HD LYS 65 12.057 2.955 6.500
500 1HE LYS 65 2HE LYS 65 10.906 4.207 7.984
501 2HE LYS 65 1HE LYS 65 9.343 3.596 7.444
502 1HZ LYS 65 1HZ LYS 65 9.395 1.893 8.915
503 2HZ LYS 65 2HZ LYS 65 10.366 2.972 9.783
504 3HZ LYS 65 3HZ LYS 65 11.079 1.736 8.875
505 H VAL 66 H VAL 66 12.149 4.422 1.850
506 HA VAL 66 HA VAL 66 13.281 2.533 -0.107
507 HB VAL 66 HB VAL 66 12.036 4.698 -0.897
508 1HG1 VAL 66 1HG1 VAL 66 13.067 6.706 -0.807
509 2HG1 VAL 66 2HG1 VAL 66 14.682 6.000 -0.842
510 3HG1 VAL 66 3HG1 VAL 66 13.755 6.005 0.658
511 1HG2 VAL 66 1HG2 VAL 66 12.874 4.116 -2.865
512 2HG2 VAL 66 2HG2 VAL 66 13.975 3.040 -2.003
513 3HG2 VAL 66 3HG2 VAL 66 14.483 4.679 -2.411
514 H ASP 67 H ASP 67 15.486 4.130 -0.809
515 HA ASP 67 HA ASP 67 17.030 5.060 1.322
516 1HB ASP 67 2HB ASP 67 16.753 2.453 1.745
517 2HB ASP 67 1HB ASP 67 18.059 2.358 0.568
518 H GLU 68 H GLU 68 16.666 6.043 -1.129
519 HA GLU 68 HA GLU 68 18.391 5.244 -3.159
520 1HB GLU 68 2HB GLU 68 17.383 8.011 -2.485
521 2HB GLU 68 1HB GLU 68 18.185 7.587 -3.991
522 1HG GLU 68 2HG GLU 68 16.385 5.975 -4.465
523 2HG GLU 68 1HG GLU 68 15.571 6.485 -2.987
524 H SER 69 H SER 69 19.067 6.841 -0.197
525 HA SER 69 HA SER 69 21.445 8.171 -0.873
526 1HB SER 69 2HB SER 69 20.196 8.509 1.253
527 2HB SER 69 1HB SER 69 20.734 6.917 1.789
528 HG SER 69 HG SER 69 22.927 7.778 1.414
529 H LYS 70 H LYS 70 20.745 4.843 -0.679
530 HA LYS 70 HA LYS 70 23.298 3.881 0.111
531 1HB LYS 70 2HB LYS 70 21.082 2.545 -1.448
532 2HB LYS 70 1HB LYS 70 22.503 1.717 -0.826
533 1HG LYS 70 2HG LYS 70 21.529 2.991 1.399
534 2HG LYS 70 1HG LYS 70 20.061 2.526 0.536
535 1HD LYS 70 2HD LYS 70 20.876 0.217 0.412
536 2HD LYS 70 1HD LYS 70 22.332 0.688 1.291
537 1HE LYS 70 2HE LYS 70 20.697 1.533 3.096
538 2HE LYS 70 1HE LYS 70 19.503 0.533 2.272
539 1HZ LYS 70 1HZ LYS 70 20.523 -1.377 2.912
540 2HZ LYS 70 2HZ LYS 70 20.982 -0.402 4.215
541 3HZ LYS 70 3HZ LYS 70 22.070 -0.692 2.953
542 H LYS 71 H LYS 71 21.806 4.568 -3.014
543 HA LYS 71 HA LYS 71 22.669 4.780 -5.108
544 1HB LYS 71 2HB LYS 71 25.277 5.112 -3.615
545 2HB LYS 71 1HB LYS 71 25.013 5.509 -5.308
546 1HG LYS 71 2HG LYS 71 23.026 6.915 -4.039
547 2HG LYS 71 1HG LYS 71 24.375 7.025 -2.907
548 1HD LYS 71 2HD LYS 71 24.580 7.658 -5.847
549 2HD LYS 71 1HD LYS 71 24.285 8.866 -4.596
550 1HE LYS 71 2HE LYS 71 26.397 8.360 -3.545
551 2HE LYS 71 1HE LYS 71 26.676 7.031 -4.670
552 1HZ LYS 71 1HZ LYS 71 27.905 8.702 -5.607
553 2HZ LYS 71 2HZ LYS 71 26.834 9.926 -5.142
554 3HZ LYS 71 3HZ LYS 71 26.442 8.905 -6.433
555 H ARG 72 H ARG 72 22.215 2.690 -5.791
556 HA ARG 72 HA ARG 72 24.256 0.635 -5.417
557 1HB ARG 72 2HB ARG 72 21.420 0.606 -6.409
558 2HB ARG 72 1HB ARG 72 22.489 -0.758 -6.701
559 1HG ARG 72 2HG ARG 72 21.973 0.349 -3.957
560 2HG ARG 72 1HG ARG 72 20.999 -0.931 -4.683
561 1HD ARG 72 2HD ARG 72 23.064 -2.268 -4.977
562 2HD ARG 72 1HD ARG 72 23.963 -1.011 -4.129
563 HE ARG 72 HE ARG 72 22.224 -2.994 -2.970
564 1HH1 ARG 72 1HH1 ARG 72 23.722 0.130 -2.527
565 2HH1 ARG 72 2HH1 ARG 72 23.626 0.067 -0.800
566 1HH2 ARG 72 1HH2 ARG 72 22.097 -3.073 -0.697
567 2HH2 ARG 72 2HH2 ARG 72 22.705 -1.749 0.240
568 H LYS 73 H LYS 73 25.377 -0.334 -7.086
569 HA LYS 73 HA LYS 73 25.619 1.264 -9.499
570 1HB LYS 73 2HB LYS 73 27.203 -1.110 -8.505
571 2HB LYS 73 1HB LYS 73 27.559 -0.220 -9.979
572 1HG LYS 73 2HG LYS 73 27.385 1.276 -7.415
573 2HG LYS 73 1HG LYS 73 28.818 0.300 -7.743
574 1HD LYS 73 2HD LYS 73 28.952 1.499 -9.973
575 2HD LYS 73 1HD LYS 73 27.737 2.611 -9.339
576 1HE LYS 73 2HE LYS 73 29.176 3.386 -7.648
577 2HE LYS 73 1HE LYS 73 30.290 2.036 -7.864
578 1HZ LYS 73 1HZ LYS 73 31.432 3.568 -9.028
579 2HZ LYS 73 2HZ LYS 73 30.071 4.517 -9.358
580 3HZ LYS 73 3HZ LYS 73 30.380 3.133 -10.281
581 H ASP 74 H ASP 74 25.319 0.515 -11.585
582 HA ASP 74 HA ASP 74 23.476 -1.739 -11.809
583 1HB ASP 74 2HB ASP 74 23.213 0.664 -12.871
584 2HB ASP 74 1HB ASP 74 24.226 -0.021 -14.138
585 H ASN 75 H ASN 75 23.716 -2.985 -13.974
586 HA ASN 75 HA ASN 75 26.068 -4.491 -13.846
587 1HB ASN 75 2HB ASN 75 24.027 -4.267 -16.065
588 2HB ASN 75 1HB ASN 75 25.288 -5.494 -15.996
589 1HD2 ASN 75 1HD2 ASN 75 22.624 -6.157 -16.123
590 2HD2 ASN 75 2HD2 ASN 75 22.142 -6.883 -14.632
591 H GLU 76 H GLU 76 25.415 -1.525 -15.433
592 HA GLU 76 HA GLU 76 27.568 -1.807 -17.352
593 1HB GLU 76 2HB GLU 76 25.703 0.472 -16.695
594 2HB GLU 76 1HB GLU 76 26.979 0.585 -17.900
595 1HG GLU 76 2HG GLU 76 24.764 -1.448 -17.975
596 2HG GLU 76 1HG GLU 76 24.721 0.100 -18.820
597 H GLY 77 H GLY 77 27.620 -1.382 -14.152
598 1HA GLY 77 2HA GLY 77 29.363 -0.739 -12.779
599 2HA GLY 77 1HA GLY 77 30.224 -0.170 -14.199
600 H ASN 78 H ASN 78 27.047 1.049 -13.894
601 HA ASN 78 HA ASN 78 28.141 3.600 -12.908
602 1HB ASN 78 2HB ASN 78 25.753 3.122 -14.703
603 2HB ASN 78 1HB ASN 78 26.309 4.696 -14.141
604 1HD2 ASN 78 1HD2 ASN 78 26.458 2.474 -16.600
605 2HD2 ASN 78 2HD2 ASN 78 27.856 3.071 -17.422
606 H GLU 79 H GLU 79 27.037 4.758 -11.356
607 HA GLU 79 HA GLU 79 25.486 3.225 -9.523
608 1HB GLU 79 2HB GLU 79 26.107 6.183 -9.605
609 2HB GLU 79 1HB GLU 79 25.311 5.372 -8.264
610 1HG GLU 79 2HG GLU 79 27.296 3.973 -7.943
611 2HG GLU 79 1HG GLU 79 28.095 4.822 -9.266
612 H VAL 80 H VAL 80 23.342 3.489 -8.899
613 HA VAL 80 HA VAL 80 21.640 5.044 -10.726
614 HB VAL 80 HB VAL 80 20.131 3.322 -11.089
615 1HG1 VAL 80 1HG1 VAL 80 22.738 2.866 -11.741
616 2HG1 VAL 80 2HG1 VAL 80 21.368 1.915 -12.314
617 3HG1 VAL 80 3HG1 VAL 80 22.302 1.366 -10.923
618 1HG2 VAL 80 1HG2 VAL 80 20.418 1.093 -9.728
619 2HG2 VAL 80 2HG2 VAL 80 19.523 2.453 -9.040
620 3HG2 VAL 80 3HG2 VAL 80 21.194 2.157 -8.554
621 H VAL 81 H VAL 81 19.520 5.557 -9.851
622 HA VAL 81 HA VAL 81 19.625 5.879 -6.930
623 HB VAL 81 HB VAL 81 17.853 7.342 -8.897
624 1HG1 VAL 81 1HG1 VAL 81 16.748 7.751 -6.976
625 2HG1 VAL 81 2HG1 VAL 81 18.039 8.924 -6.714
626 3HG1 VAL 81 3HG1 VAL 81 18.132 7.330 -5.967
627 1HG2 VAL 81 1HG2 VAL 81 19.433 8.908 -9.223
628 2HG2 VAL 81 2HG2 VAL 81 20.552 7.633 -8.745
629 3HG2 VAL 81 3HG2 VAL 81 20.009 8.820 -7.559
630 HA PRO 82 HA PRO 82 16.754 2.334 -7.164
631 1HB PRO 82 2HB PRO 82 16.680 3.119 -4.276
632 2HB PRO 82 1HB PRO 82 16.782 1.511 -4.999
633 1HG PRO 82 2HG PRO 82 18.943 2.686 -3.971
634 2HG PRO 82 1HG PRO 82 19.044 1.708 -5.446
635 1HD PRO 82 2HD PRO 82 19.172 4.656 -5.119
636 2HD PRO 82 1HD PRO 82 19.917 3.618 -6.348
637 H LYS 83 H LYS 83 14.480 2.067 -6.614
638 HA LYS 83 HA LYS 83 13.081 4.644 -6.315
639 1HB LYS 83 2HB LYS 83 12.174 4.227 -8.319
640 2HB LYS 83 1HB LYS 83 12.895 2.626 -8.372
641 1HG LYS 83 2HG LYS 83 11.005 1.691 -7.198
642 2HG LYS 83 1HG LYS 83 10.299 3.296 -6.997
643 1HD LYS 83 2HD LYS 83 9.555 3.382 -9.132
644 2HD LYS 83 1HD LYS 83 10.956 2.514 -9.764
645 1HE LYS 83 2HE LYS 83 9.470 0.845 -10.053
646 2HE LYS 83 1HE LYS 83 9.769 0.553 -8.339
647 1HZ LYS 83 1HZ LYS 83 7.348 0.882 -9.340
648 2HZ LYS 83 2HZ LYS 83 7.701 2.499 -8.987
649 3HZ LYS 83 3HZ LYS 83 7.749 1.336 -7.760
650 HA PRO 84 HA PRO 84 11.166 2.971 -2.739
651 1HB PRO 84 2HB PRO 84 8.974 4.854 -3.193
652 2HB PRO 84 1HB PRO 84 10.170 4.813 -1.894
653 1HG PRO 84 2HG PRO 84 10.258 6.700 -3.763
654 2HG PRO 84 1HG PRO 84 11.749 5.987 -3.136
655 1HD PRO 84 2HD PRO 84 10.270 5.323 -5.664
656 2HD PRO 84 1HD PRO 84 11.999 5.679 -5.436
657 H GLN 85 H GLN 85 9.528 1.587 -2.095
658 HA GLN 85 HA GLN 85 8.055 0.300 -4.195
659 1HB GLN 85 2HB GLN 85 8.489 -0.158 -1.286
660 2HB GLN 85 1HB GLN 85 7.061 -0.877 -2.017
661 1HG GLN 85 2HG GLN 85 8.450 -2.041 -3.633
662 2HG GLN 85 1HG GLN 85 9.891 -1.290 -2.952
663 1HE2 GLN 85 1HE2 GLN 85 10.788 -2.113 -1.130
664 2HE2 GLN 85 2HE2 GLN 85 10.221 -3.540 -0.334
665 H ARG 86 H ARG 86 5.807 0.163 -4.419
666 HA ARG 86 HA ARG 86 4.116 1.829 -2.748
667 1HB ARG 86 2HB ARG 86 4.897 2.531 -5.520
668 2HB ARG 86 1HB ARG 86 3.195 2.720 -5.117
669 1HG ARG 86 2HG ARG 86 3.580 4.429 -3.667
670 2HG ARG 86 1HG ARG 86 5.190 3.848 -3.235
671 1HD ARG 86 2HD ARG 86 5.191 5.959 -4.556
672 2HD ARG 86 1HD ARG 86 6.103 4.645 -5.297
673 HE ARG 86 HE ARG 86 3.385 4.830 -6.212
674 1HH1 ARG 86 1HH1 ARG 86 6.649 5.969 -6.686
675 2HH1 ARG 86 2HH1 ARG 86 6.391 6.401 -8.342
676 1HH2 ARG 86 1HH2 ARG 86 3.043 5.398 -8.390
677 2HH2 ARG 86 2HH2 ARG 86 4.344 6.078 -9.310
678 H HIS 87 H HIS 87 2.326 0.713 -2.352
679 HA HIS 87 HA HIS 87 1.451 -1.292 -4.325
680 1HB HIS 87 2HB HIS 87 0.858 -1.205 -1.360
681 2HB HIS 87 1HB HIS 87 0.408 -2.490 -2.475
682 HD1 HIS 87 HD1 HIS 87 2.570 -3.728 -3.630
683 HD2 HIS 87 HD2 HIS 87 3.226 -1.620 -0.109
684 HE1 HIS 87 HE1 HIS 87 4.753 -4.591 -2.725
685 HE2 HIS 87 HE2 HIS 87 5.172 -3.237 -0.643
686 H MET 88 H MET 88 -0.738 -1.444 -4.873
687 HA MET 88 HA MET 88 -2.441 0.775 -3.950
688 1HB MET 88 2HB MET 88 -1.480 1.193 -6.229
689 2HB MET 88 1HB MET 88 -2.333 -0.237 -6.794
690 1HG MET 88 2HG MET 88 -4.011 1.710 -5.387
691 2HG MET 88 1HG MET 88 -3.301 2.292 -6.892
692 1HE MET 88 1HE MET 88 -5.217 2.794 -7.888
693 2HE MET 88 2HE MET 88 -6.566 1.762 -8.361
694 3HE MET 88 3HE MET 88 -5.074 1.748 -9.300
695 H PHE 89 H PHE 89 -4.500 0.275 -3.466
696 HA PHE 89 HA PHE 89 -5.546 -2.348 -4.265
697 1HB PHE 89 2HB PHE 89 -5.542 -1.226 -1.457
698 2HB PHE 89 1HB PHE 89 -6.488 -2.623 -1.961
699 HD1 PHE 89 HD1 PHE 89 -5.377 -4.718 -2.575
700 HD2 PHE 89 HD2 PHE 89 -3.188 -1.383 -1.094
701 HE1 PHE 89 HE1 PHE 89 -3.457 -6.186 -2.118
702 HE2 PHE 89 HE2 PHE 89 -1.263 -2.845 -0.634
703 HZ PHE 89 HZ PHE 89 -1.396 -5.250 -1.146
704 H SER 90 H SER 90 -7.859 -2.503 -4.249
705 HA SER 90 HA SER 90 -9.237 0.097 -4.172
706 1HB SER 90 2HB SER 90 -10.375 -1.831 -6.063
707 2HB SER 90 1HB SER 90 -10.012 -0.119 -6.279
708 HG SER 90 HG SER 90 -8.139 -2.251 -6.395
709 H PHE 91 H PHE 91 -10.906 0.143 -2.827
710 HA PHE 91 HA PHE 91 -12.122 -2.418 -2.025
711 1HB PHE 91 2HB PHE 91 -12.144 0.143 -0.427
712 2HB PHE 91 1HB PHE 91 -12.601 -1.466 0.120
713 HD1 PHE 91 HD1 PHE 91 -11.084 -2.653 1.369
714 HD2 PHE 91 HD2 PHE 91 -9.659 0.324 -1.316
715 HE1 PHE 91 HE1 PHE 91 -8.789 -3.025 2.179
716 HE2 PHE 91 HE2 PHE 91 -7.365 -0.045 -0.516
717 HZ PHE 91 HZ PHE 91 -6.926 -1.720 1.234
718 H ASN 92 H ASN 92 -14.437 -2.050 -1.133
719 HA ASN 92 HA ASN 92 -15.864 -0.212 -2.938
720 1HB ASN 92 2HB ASN 92 -17.627 -1.868 -3.192
721 2HB ASN 92 1HB ASN 92 -16.083 -2.544 -3.700
722 1HD2 ASN 92 1HD2 ASN 92 -16.136 -4.625 -3.242
723 2HD2 ASN 92 2HD2 ASN 92 -16.606 -5.317 -1.731
724 H ASN 93 H ASN 93 -15.030 0.059 -0.097
725 HA ASN 93 HA ASN 93 -17.551 1.030 0.898
726 1HB ASN 93 2HB ASN 93 -16.134 -1.267 2.247
727 2HB ASN 93 1HB ASN 93 -17.262 -0.219 3.102
728 1HD2 ASN 93 1HD2 ASN 93 -17.180 -3.131 2.078
729 2HD2 ASN 93 2HD2 ASN 93 -18.746 -3.339 1.379
730 H ARG 94 H ARG 94 -17.142 2.943 1.772
731 HA ARG 94 HA ARG 94 -14.589 3.976 2.178
732 1HB ARG 94 2HB ARG 94 -16.708 5.295 1.884
733 2HB ARG 94 1HB ARG 94 -17.104 4.920 3.556
734 1HG ARG 94 2HG ARG 94 -14.459 6.142 3.030
735 2HG ARG 94 1HG ARG 94 -15.884 7.166 2.843
736 1HD ARG 94 2HD ARG 94 -15.347 5.503 5.294
737 2HD ARG 94 1HD ARG 94 -14.822 7.177 5.128
738 HE ARG 94 HE ARG 94 -17.504 6.230 5.598
739 1HH1 ARG 94 1HH1 ARG 94 -15.539 8.885 4.471
740 2HH1 ARG 94 2HH1 ARG 94 -16.759 10.077 4.768
741 1HH2 ARG 94 1HH2 ARG 94 -19.109 7.797 5.989
742 2HH2 ARG 94 2HH2 ARG 94 -18.785 9.460 5.629
743 H THR 95 H THR 95 -16.752 2.328 4.360
744 HA THR 95 HA THR 95 -15.393 2.867 6.754
745 HB THR 95 HB THR 95 -16.834 0.346 6.522
746 HG1 THR 95 HG1 THR 95 -18.827 1.339 6.172
747 1HG2 THR 95 1HG2 THR 95 -17.395 2.758 8.194
748 2HG2 THR 95 2HG2 THR 95 -16.326 1.440 8.673
749 3HG2 THR 95 3HG2 THR 95 -18.045 1.135 8.420
750 H VAL 96 H VAL 96 -15.372 0.051 4.583
751 HA VAL 96 HA VAL 96 -13.496 -1.470 6.000
752 HB VAL 96 HB VAL 96 -13.938 -1.444 3.008
753 1HG1 VAL 96 1HG1 VAL 96 -13.254 -3.977 4.268
754 2HG1 VAL 96 2HG1 VAL 96 -11.989 -2.760 4.442
755 3HG1 VAL 96 3HG1 VAL 96 -12.574 -3.203 2.838
756 1HG2 VAL 96 1HG2 VAL 96 -15.507 -3.294 3.434
757 2HG2 VAL 96 2HG2 VAL 96 -16.036 -1.785 4.175
758 3HG2 VAL 96 3HG2 VAL 96 -15.306 -3.047 5.167
759 H MET 97 H MET 97 -13.104 1.005 3.523
760 HA MET 97 HA MET 97 -10.318 0.692 3.166
761 1HB MET 97 2HB MET 97 -12.386 2.410 2.191
762 2HB MET 97 1HB MET 97 -11.037 3.407 2.717
763 1HG MET 97 2HG MET 97 -9.534 2.046 1.307
764 2HG MET 97 1HG MET 97 -10.937 1.155 0.728
765 1HE MET 97 1HE MET 97 -9.774 4.632 1.516
766 2HE MET 97 2HE MET 97 -11.418 5.201 1.226
767 3HE MET 97 3HE MET 97 -10.131 5.605 0.088
768 H ASP 98 H ASP 98 -12.273 2.585 5.398
769 HA ASP 98 HA ASP 98 -10.135 4.116 6.453
770 1HB ASP 98 2HB ASP 98 -12.945 3.549 7.283
771 2HB ASP 98 1HB ASP 98 -11.849 4.266 8.459
772 H ASN 99 H ASN 99 -11.507 1.010 7.231
773 HA ASN 99 HA ASN 99 -10.291 0.625 9.737
774 1HB ASN 99 2HB ASN 99 -10.974 -1.482 7.671
775 2HB ASN 99 1HB ASN 99 -10.702 -1.761 9.389
776 1HD2 ASN 99 1HD2 ASN 99 -13.044 -2.320 7.748
777 2HD2 ASN 99 2HD2 ASN 99 -14.358 -1.473 8.485
778 H ILE 100 H ILE 100 -9.201 -0.083 6.454
779 HA ILE 100 HA ILE 100 -6.774 -1.351 7.177
780 HB ILE 100 HB ILE 100 -7.375 0.156 4.627
781 1HG1 ILE 100 2HG1 ILE 100 -9.070 -1.595 5.190
782 2HG1 ILE 100 1HG1 ILE 100 -8.181 -1.918 3.707
783 1HG2 ILE 100 1HG2 ILE 100 -5.766 -1.770 3.817
784 2HG2 ILE 100 2HG2 ILE 100 -5.206 -1.684 5.489
785 3HG2 ILE 100 3HG2 ILE 100 -5.135 -0.253 4.459
786 1HD1 ILE 100 1HD1 ILE 100 -8.408 -3.956 4.921
787 2HD1 ILE 100 2HD1 ILE 100 -7.766 -3.207 6.389
788 3HD1 ILE 100 3HD1 ILE 100 -6.716 -3.454 4.991
789 H LYS 101 H LYS 101 -7.495 1.960 6.098
790 HA LYS 101 HA LYS 101 -4.864 2.924 6.426
791 1HB LYS 101 2HB LYS 101 -5.691 5.001 5.833
792 2HB LYS 101 1HB LYS 101 -6.881 3.929 5.114
793 1HG LYS 101 2HG LYS 101 -8.299 4.285 7.143
794 2HG LYS 101 1HG LYS 101 -7.147 5.521 7.651
795 1HD LYS 101 2HD LYS 101 -7.629 6.278 5.089
796 2HD LYS 101 1HD LYS 101 -9.191 5.591 5.538
797 1HE LYS 101 2HE LYS 101 -8.954 8.043 5.976
798 2HE LYS 101 1HE LYS 101 -9.403 7.081 7.382
799 1HZ LYS 101 1HZ LYS 101 -7.455 7.502 8.404
800 2HZ LYS 101 2HZ LYS 101 -7.451 8.871 7.410
801 3HZ LYS 101 3HZ LYS 101 -6.556 7.504 6.971
802 H MET 102 H MET 102 -7.490 2.444 8.607
803 HA MET 102 HA MET 102 -6.464 4.149 10.681
804 1HB MET 102 2HB MET 102 -8.699 2.153 10.499
805 2HB MET 102 1HB MET 102 -8.189 2.771 12.065
806 1HG MET 102 2HG MET 102 -8.547 4.933 10.210
807 2HG MET 102 1HG MET 102 -9.993 3.926 10.269
808 1HE MET 102 1HE MET 102 -11.567 4.078 13.278
809 2HE MET 102 2HE MET 102 -10.123 3.395 14.024
810 3HE MET 102 3HE MET 102 -10.621 2.862 12.419
811 H THR 103 H THR 103 -6.375 0.722 9.873
812 HA THR 103 HA THR 103 -5.002 0.014 12.309
813 HB THR 103 HB THR 103 -6.335 -1.358 10.172
814 HG1 THR 103 HG1 THR 103 -6.982 -2.167 11.983
815 1HG2 THR 103 1HG2 THR 103 -4.180 -1.933 9.307
816 2HG2 THR 103 2HG2 THR 103 -4.919 -3.346 10.070
817 3HG2 THR 103 3HG2 THR 103 -3.648 -2.449 10.905
818 H LEU 104 H LEU 104 -4.156 0.649 8.955
819 HA LEU 104 HA LEU 104 -1.490 -0.244 9.076
820 1HB LEU 104 2HB LEU 104 -3.052 1.547 7.290
821 2HB LEU 104 1HB LEU 104 -1.303 1.634 7.195
822 HG LEU 104 HG LEU 104 -2.886 -0.911 6.850
823 1HD1 LEU 104 1HD1 LEU 104 -3.393 0.698 5.072
824 2HD1 LEU 104 2HD1 LEU 104 -2.462 -0.675 4.471
825 3HD1 LEU 104 3HD1 LEU 104 -1.668 0.875 4.749
826 1HD2 LEU 104 1HD2 LEU 104 -0.157 -0.600 5.782
827 2HD2 LEU 104 2HD2 LEU 104 -0.932 -1.993 6.538
828 3HD2 LEU 104 3HD2 LEU 104 -0.295 -0.685 7.538
829 H GLN 105 H GLN 105 -2.970 2.898 9.735
830 HA GLN 105 HA GLN 105 -0.595 4.343 10.120
831 1HB GLN 105 2HB GLN 105 -3.447 4.718 10.865
832 2HB GLN 105 1HB GLN 105 -2.256 5.697 11.709
833 1HG GLN 105 2HG GLN 105 -1.635 5.806 8.956
834 2HG GLN 105 1HG GLN 105 -3.370 6.066 9.120
835 1HE2 GLN 105 1HE2 GLN 105 -3.360 8.211 8.623
836 2HE2 GLN 105 2HE2 GLN 105 -2.634 9.420 9.620
837 H GLN 106 H GLN 106 -2.343 2.162 12.160
838 HA GLN 106 HA GLN 106 -1.184 2.945 14.632
839 1HB GLN 106 2HB GLN 106 -2.530 0.401 13.731
840 2HB GLN 106 1HB GLN 106 -1.948 0.641 15.373
841 1HG GLN 106 2HG GLN 106 -3.447 2.497 15.685
842 2HG GLN 106 1HG GLN 106 -3.965 2.402 14.003
843 1HE2 GLN 106 1HE2 GLN 106 -5.762 2.316 16.090
844 2HE2 GLN 106 2HE2 GLN 106 -6.475 0.745 16.165
845 H ILE 107 H ILE 107 -0.225 0.744 12.081
846 HA ILE 107 HA ILE 107 1.846 -0.525 13.593
847 HB ILE 107 HB ILE 107 1.446 -0.429 10.599
848 1HG1 ILE 107 2HG1 ILE 107 0.864 -2.907 12.073
849 2HG1 ILE 107 1HG1 ILE 107 -0.211 -1.569 12.464
850 1HG2 ILE 107 1HG2 ILE 107 3.157 -2.240 12.298
851 2HG2 ILE 107 2HG2 ILE 107 3.727 -1.016 11.163
852 3HG2 ILE 107 3HG2 ILE 107 2.868 -2.438 10.569
853 1HD1 ILE 107 1HD1 ILE 107 -0.606 -3.287 10.436
854 2HD1 ILE 107 2HD1 ILE 107 0.266 -2.003 9.599
855 3HD1 ILE 107 3HD1 ILE 107 -1.225 -1.637 10.466
856 H ILE 108 H ILE 108 1.793 2.042 11.135
857 HA ILE 108 HA ILE 108 4.562 2.438 10.948
858 HB ILE 108 HB ILE 108 2.701 4.781 10.853
859 1HG1 ILE 108 2HG1 ILE 108 3.027 3.100 8.408
860 2HG1 ILE 108 1HG1 ILE 108 1.832 2.621 9.606
861 1HG2 ILE 108 1HG2 ILE 108 4.920 5.384 10.459
862 2HG2 ILE 108 2HG2 ILE 108 4.200 5.281 8.853
863 3HG2 ILE 108 3HG2 ILE 108 5.220 3.971 9.448
864 1HD1 ILE 108 1HD1 ILE 108 1.897 5.009 7.851
865 2HD1 ILE 108 2HD1 ILE 108 1.097 5.120 9.421
866 3HD1 ILE 108 3HD1 ILE 108 0.561 3.924 8.240
867 H SER 109 H SER 109 2.209 4.310 12.740
868 HA SER 109 HA SER 109 3.910 5.865 14.258
869 1HB SER 109 2HB SER 109 1.263 4.721 15.176
870 2HB SER 109 1HB SER 109 2.062 6.149 15.833
871 HG SER 109 HG SER 109 0.348 6.117 13.899
872 H ARG 110 H ARG 110 3.091 2.518 14.628
873 HA ARG 110 HA ARG 110 4.008 2.202 17.295
874 1HB ARG 110 2HB ARG 110 2.877 0.299 16.941
875 2HB ARG 110 1HB ARG 110 2.887 0.574 15.206
876 1HG ARG 110 2HG ARG 110 4.959 -0.555 14.955
877 2HG ARG 110 1HG ARG 110 5.179 -0.659 16.703
878 1HD ARG 110 2HD ARG 110 2.963 -1.979 15.140
879 2HD ARG 110 1HD ARG 110 4.419 -2.788 15.718
880 HE ARG 110 HE ARG 110 2.984 -1.494 17.822
881 1HH1 ARG 110 1HH1 ARG 110 3.101 -4.372 15.853
882 2HH1 ARG 110 2HH1 ARG 110 2.301 -5.361 17.029
883 1HH2 ARG 110 1HH2 ARG 110 1.932 -2.791 19.370
884 2HH2 ARG 110 2HH2 ARG 110 1.638 -4.463 19.026
885 H TYR 111 H TYR 111 5.411 1.566 14.145
886 HA TYR 111 HA TYR 111 7.955 0.770 15.187
887 1HB TYR 111 2HB TYR 111 7.025 1.479 12.402
888 2HB TYR 111 1HB TYR 111 8.672 0.974 12.766
889 HD1 TYR 111 HD1 TYR 111 8.404 -1.216 14.594
890 HD2 TYR 111 HD2 TYR 111 5.942 -0.217 11.270
891 HE1 TYR 111 HE1 TYR 111 7.730 -3.571 14.393
892 HE2 TYR 111 HE2 TYR 111 5.260 -2.571 11.062
893 HH TYR 111 HH TYR 111 5.512 -4.769 13.342
894 H LYS 112 H LYS 112 6.484 3.749 14.170
895 HA LYS 112 HA LYS 112 8.804 5.279 13.769
896 1HB LYS 112 2HB LYS 112 6.051 6.124 14.680
897 2HB LYS 112 1HB LYS 112 7.317 7.233 14.172
898 1HG LYS 112 2HG LYS 112 7.101 5.384 12.098
899 2HG LYS 112 1HG LYS 112 5.442 5.739 12.585
900 1HD LYS 112 2HD LYS 112 5.541 7.863 11.841
901 2HD LYS 112 1HD LYS 112 7.207 8.078 12.384
902 1HE LYS 112 2HE LYS 112 8.078 7.427 10.407
903 2HE LYS 112 1HE LYS 112 6.822 6.224 10.127
904 1HZ LYS 112 1HZ LYS 112 6.653 9.148 9.662
905 2HZ LYS 112 2HZ LYS 112 5.307 8.124 9.621
906 3HZ LYS 112 3HZ LYS 112 6.563 7.912 8.507
907 H ASP 113 H ASP 113 6.801 4.743 16.636
908 HA ASP 113 HA ASP 113 8.126 6.465 18.389
909 1HB ASP 113 2HB ASP 113 5.951 5.394 18.875
910 2HB ASP 113 1HB ASP 113 6.764 3.842 19.044
911 H ALA 114 H ALA 114 8.839 3.158 17.430
912 HA ALA 114 HA ALA 114 10.791 2.587 19.369
913 1HB ALA 114 1HB ALA 114 11.055 0.634 18.276
914 2HB ALA 114 2HB ALA 114 11.185 1.412 16.698
915 3HB ALA 114 3HB ALA 114 9.601 1.152 17.426
916 H ASP 115 H ASP 115 10.941 4.310 16.324
917 HA ASP 115 HA ASP 115 13.828 4.724 16.723
918 1HB ASP 115 2HB ASP 115 13.185 3.669 14.573
919 2HB ASP 115 1HB ASP 115 12.214 5.088 14.191
920 H LEU 45 1H LEU 45 -1.823 2.698 -17.443
921 HA LEU 45 HA LEU 45 0.313 1.952 -17.577
922 1HB LEU 45 2HB LEU 45 -0.550 3.133 -19.574
923 2HB LEU 45 1HB LEU 45 0.207 4.610 -19.008
924 HG LEU 45 HG LEU 45 2.421 3.347 -19.119
925 1HD1 LEU 45 1HD1 LEU 45 2.575 1.294 -20.043
926 2HD1 LEU 45 2HD1 LEU 45 1.224 1.565 -21.143
927 3HD1 LEU 45 3HD1 LEU 45 0.918 1.151 -19.457
928 1HD2 LEU 45 1HD2 LEU 45 2.132 4.987 -20.734
929 2HD2 LEU 45 2HD2 LEU 45 0.775 4.148 -21.487
930 3HD2 LEU 45 3HD2 LEU 45 2.416 3.536 -21.695
931 H SER 46 H SER 46 0.219 5.295 -16.456
932 HA SER 46 HA SER 46 2.839 4.864 -15.185
933 1HB SER 46 2HB SER 46 1.905 7.158 -16.859
934 2HB SER 46 1HB SER 46 3.004 7.484 -15.518
935 HG SER 46 HG SER 46 3.886 6.926 -17.727
936 HA PRO 47 HA PRO 47 1.310 6.173 -11.278
937 1HB PRO 47 2HB PRO 47 3.152 8.514 -11.360
938 2HB PRO 47 1HB PRO 47 2.961 7.275 -10.114
939 1HG PRO 47 2HG PRO 47 5.053 7.229 -11.758
940 2HG PRO 47 1HG PRO 47 4.246 5.726 -11.271
941 1HD PRO 47 2HD PRO 47 4.094 7.209 -13.857
942 2HD PRO 47 1HD PRO 47 4.072 5.460 -13.553
943 H ASP 48 H ASP 48 1.732 8.747 -13.659
944 HA ASP 48 HA ASP 48 0.143 10.714 -12.493
945 1HB ASP 48 2HB ASP 48 0.647 10.085 -15.406
946 2HB ASP 48 1HB ASP 48 -0.178 11.538 -14.849
947 H ASP 49 H ASP 49 -0.751 7.741 -13.986
948 HA ASP 49 HA ASP 49 -3.456 8.505 -14.541
949 1HB ASP 49 2HB ASP 49 -2.101 5.807 -14.531
950 2HB ASP 49 1HB ASP 49 -3.763 6.081 -15.044
951 H ILE 50 H ILE 50 -1.741 6.805 -11.988
952 HA ILE 50 HA ILE 50 -4.158 6.025 -10.634
953 HB ILE 50 HB ILE 50 -1.332 5.952 -9.587
954 1HG1 ILE 50 2HG1 ILE 50 -1.491 4.672 -11.656
955 2HG1 ILE 50 1HG1 ILE 50 -1.357 3.576 -10.282
956 1HG2 ILE 50 1HG2 ILE 50 -2.914 5.759 -7.804
957 2HG2 ILE 50 2HG2 ILE 50 -2.259 4.154 -8.126
958 3HG2 ILE 50 3HG2 ILE 50 -3.867 4.585 -8.709
959 1HD1 ILE 50 1HD1 ILE 50 -4.037 3.754 -10.509
960 2HD1 ILE 50 2HD1 ILE 50 -3.051 2.520 -11.292
961 3HD1 ILE 50 3HD1 ILE 50 -3.548 3.953 -12.191
962 H GLU 51 H GLU 51 -1.911 8.664 -10.472
963 HA GLU 51 HA GLU 51 -2.600 9.592 -7.886
964 1HB GLU 51 2HB GLU 51 -1.431 11.606 -8.448
965 2HB GLU 51 1HB GLU 51 -0.544 10.258 -9.142
966 1HG GLU 51 2HG GLU 51 -1.471 10.737 -11.326
967 2HG GLU 51 1HG GLU 51 -2.437 12.047 -10.649
968 H GLN 52 H GLN 52 -4.052 9.969 -11.024
969 HA GLN 52 HA GLN 52 -5.627 12.238 -10.559
970 1HB GLN 52 2HB GLN 52 -6.653 11.748 -12.556
971 2HB GLN 52 1HB GLN 52 -5.198 10.778 -12.723
972 1HG GLN 52 2HG GLN 52 -6.447 8.808 -11.952
973 2HG GLN 52 1HG GLN 52 -7.905 9.793 -11.855
974 1HE2 GLN 52 1HE2 GLN 52 -5.746 8.077 -13.903
975 2HE2 GLN 52 2HE2 GLN 52 -6.615 8.297 -15.378
976 H TRP 53 H TRP 53 -6.118 8.858 -9.770
977 HA TRP 53 HA TRP 53 -8.815 8.930 -9.059
978 1HB TRP 53 2HB TRP 53 -6.600 7.217 -7.910
979 2HB TRP 53 1HB TRP 53 -8.323 6.908 -7.725
980 HD1 TRP 53 HD1 TRP 53 -5.751 7.235 -10.617
981 HE1 TRP 53 HE1 TRP 53 -6.454 5.623 -12.489
982 HE3 TRP 53 HE3 TRP 53 -10.077 5.450 -8.562
983 HZ2 TRP 53 HZ2 TRP 53 -8.563 3.821 -13.023
984 HZ3 TRP 53 HZ3 TRP 53 -11.378 3.782 -9.818
985 HH2 TRP 53 HH2 TRP 53 -10.636 2.984 -12.003
986 H PHE 54 H PHE 54 -5.958 9.955 -7.345
987 HA PHE 54 HA PHE 54 -7.530 10.482 -4.930
988 1HB PHE 54 2HB PHE 54 -4.544 10.600 -5.399
989 2HB PHE 54 1HB PHE 54 -5.337 10.926 -3.862
990 HD1 PHE 54 HD1 PHE 54 -6.388 9.115 -2.598
991 HD2 PHE 54 HD2 PHE 54 -4.265 8.368 -6.211
992 HE1 PHE 54 HE1 PHE 54 -6.281 6.723 -2.037
993 HE2 PHE 54 HE2 PHE 54 -4.156 5.974 -5.655
994 HZ PHE 54 HZ PHE 54 -5.165 5.148 -3.566
995 H THR 55 H THR 55 -6.815 12.045 -7.730
996 HA THR 55 HA THR 55 -6.528 14.665 -6.444
997 HB THR 55 HB THR 55 -5.525 13.499 -8.907
998 HG1 THR 55 HG1 THR 55 -3.973 15.143 -8.573
999 1HG2 THR 55 1HG2 THR 55 -6.951 14.852 -10.162
1000 2HG2 THR 55 2HG2 THR 55 -5.450 15.771 -10.045
1001 3HG2 THR 55 3HG2 THR 55 -6.824 16.189 -9.022
1002 H GLU 56 H GLU 56 -8.456 12.865 -8.787
1003 HA GLU 56 HA GLU 56 -10.190 14.920 -9.557
1004 1HB GLU 56 2HB GLU 56 -10.655 11.940 -9.368
1005 2HB GLU 56 1HB GLU 56 -11.773 13.061 -10.133
1006 1HG GLU 56 2HG GLU 56 -8.924 12.578 -10.975
1007 2HG GLU 56 1HG GLU 56 -10.359 11.922 -11.762
1008 H ASP 57 H ASP 57 -12.109 15.686 -8.773
1009 HA ASP 57 HA ASP 57 -13.172 14.550 -6.298
1010 1HB ASP 57 2HB ASP 57 -11.936 17.233 -6.598
1011 2HB ASP 57 1HB ASP 57 -13.422 17.146 -5.658
1012 HA PRO 58 HA PRO 58 -17.109 15.481 -8.036
1013 1HB PRO 58 2HB PRO 58 -18.585 16.242 -5.893
1014 2HB PRO 58 1HB PRO 58 -18.070 14.572 -6.155
1015 1HG PRO 58 2HG PRO 58 -16.876 16.667 -4.380
1016 2HG PRO 58 1HG PRO 58 -17.171 14.950 -4.043
1017 1HD PRO 58 2HD PRO 58 -14.729 15.907 -4.726
1018 2HD PRO 58 1HD PRO 58 -15.273 14.275 -5.163
Start of MODEL 20
1 HT1 PRO 1 HT2 PRO 1 -13.396 -5.455 9.826
2 HT2 PRO 1 HT1 PRO 1 -12.902 -5.441 11.460
3 HA PRO 1 HA PRO 1 -12.985 -3.378 9.618
4 1HB PRO 1 2HB PRO 1 -14.225 -2.017 11.700
5 2HB PRO 1 1HB PRO 1 -14.972 -2.447 10.157
6 1HG PRO 1 2HG PRO 1 -15.165 -3.810 12.799
7 2HG PRO 1 1HG PRO 1 -16.385 -3.649 11.525
8 1HD PRO 1 2HD PRO 1 -15.025 -5.959 11.964
9 2HD PRO 1 1HD PRO 1 -15.579 -5.471 10.350
10 H SER 2 H SER 2 -10.786 -4.206 10.359
11 HA SER 2 HA SER 2 -9.546 -2.289 11.980
12 1HB SER 2 2HB SER 2 -10.652 -3.465 13.835
13 2HB SER 2 1HB SER 2 -9.902 -4.977 13.327
14 HG SER 2 HG SER 2 -8.643 -2.659 14.350
15 H HIS 3 H HIS 3 -8.980 -5.798 11.791
16 HA HIS 3 HA HIS 3 -6.486 -5.210 10.337
17 1HB HIS 3 2HB HIS 3 -7.094 -7.496 12.221
18 2HB HIS 3 1HB HIS 3 -5.583 -7.274 11.341
19 HD1 HIS 3 HD1 HIS 3 -7.693 -5.376 13.864
20 HD2 HIS 3 HD2 HIS 3 -3.734 -5.837 12.699
21 HE1 HIS 3 HE1 HIS 3 -6.356 -3.994 15.480
22 HE2 HIS 3 HE2 HIS 3 -3.966 -4.232 14.716
23 H SER 4 H SER 4 -9.022 -5.548 9.109
24 HA SER 4 HA SER 4 -8.331 -7.368 7.074
25 1HB SER 4 2HB SER 4 -10.339 -8.889 7.333
26 2HB SER 4 1HB SER 4 -9.037 -9.147 8.497
27 HG SER 4 HG SER 4 -11.503 -7.816 8.903
28 H GLY 5 H GLY 5 -9.506 -7.016 5.233
29 1HA GLY 5 2HA GLY 5 -12.082 -5.831 5.208
30 2HA GLY 5 1HA GLY 5 -10.851 -4.609 4.933
31 H ALA 6 H ALA 6 -12.928 -6.634 3.474
32 HA ALA 6 HA ALA 6 -11.695 -7.891 1.414
33 1HB ALA 6 1HB ALA 6 -13.766 -7.464 0.093
34 2HB ALA 6 2HB ALA 6 -14.298 -6.407 1.403
35 3HB ALA 6 3HB ALA 6 -14.021 -8.124 1.709
36 H ALA 7 H ALA 7 -10.011 -7.099 0.354
37 HA ALA 7 HA ALA 7 -10.301 -4.469 -0.963
38 1HB ALA 7 1HB ALA 7 -8.080 -3.976 -0.561
39 2HB ALA 7 2HB ALA 7 -7.631 -5.673 -0.379
40 3HB ALA 7 3HB ALA 7 -8.521 -4.853 0.907
41 H ILE 8 H ILE 8 -9.351 -4.214 -3.062
42 HA ILE 8 HA ILE 8 -9.241 -6.740 -4.548
43 HB ILE 8 HB ILE 8 -9.942 -3.952 -5.337
44 1HG1 ILE 8 2HG1 ILE 8 -11.330 -5.973 -6.764
45 2HG1 ILE 8 1HG1 ILE 8 -11.216 -6.499 -5.088
46 1HG2 ILE 8 1HG2 ILE 8 -9.847 -5.037 -7.766
47 2HG2 ILE 8 2HG2 ILE 8 -8.453 -5.839 -7.048
48 3HG2 ILE 8 3HG2 ILE 8 -8.530 -4.080 -7.091
49 1HD1 ILE 8 1HD1 ILE 8 -12.413 -3.964 -6.129
50 2HD1 ILE 8 2HD1 ILE 8 -12.121 -4.290 -4.421
51 3HD1 ILE 8 3HD1 ILE 8 -13.230 -5.310 -5.335
52 H PHE 9 H PHE 9 -7.411 -7.494 -5.300
53 HA PHE 9 HA PHE 9 -5.078 -5.677 -5.343
54 1HB PHE 9 2HB PHE 9 -5.014 -7.555 -3.661
55 2HB PHE 9 1HB PHE 9 -4.980 -8.674 -5.018
56 HD1 PHE 9 HD1 PHE 9 -2.903 -9.565 -5.372
57 HD2 PHE 9 HD2 PHE 9 -3.219 -5.493 -4.176
58 HE1 PHE 9 HE1 PHE 9 -0.457 -9.343 -5.495
59 HE2 PHE 9 HE2 PHE 9 -0.772 -5.263 -4.298
60 HZ PHE 9 HZ PHE 9 0.612 -7.190 -4.958
61 H GLU 10 H GLU 10 -4.087 -5.347 -7.226
62 HA GLU 10 HA GLU 10 -3.592 -5.462 -9.445
63 1HB GLU 10 2HB GLU 10 -4.027 -8.428 -9.090
64 2HB GLU 10 1HB GLU 10 -3.112 -7.650 -10.374
65 1HG GLU 10 2HG GLU 10 -1.522 -6.810 -8.693
66 2HG GLU 10 1HG GLU 10 -2.418 -7.676 -7.447
67 H LYS 11 H LYS 11 -6.281 -4.912 -8.753
68 HA LYS 11 HA LYS 11 -8.254 -4.578 -9.827
69 1HB LYS 11 2HB LYS 11 -6.526 -5.517 -11.983
70 2HB LYS 11 1HB LYS 11 -8.208 -5.969 -12.227
71 1HG LYS 11 2HG LYS 11 -7.379 -3.164 -11.561
72 2HG LYS 11 1HG LYS 11 -7.448 -3.767 -13.218
73 1HD LYS 11 2HD LYS 11 -9.832 -4.408 -12.792
74 2HD LYS 11 1HD LYS 11 -9.717 -3.573 -11.242
75 1HE LYS 11 2HE LYS 11 -9.773 -1.524 -12.191
76 2HE LYS 11 1HE LYS 11 -8.833 -2.033 -13.592
77 1HZ LYS 11 1HZ LYS 11 -10.813 -1.786 -14.608
78 2HZ LYS 11 2HZ LYS 11 -11.713 -2.022 -13.195
79 3HZ LYS 11 3HZ LYS 11 -11.089 -3.352 -14.032
80 H VAL 12 H VAL 12 -7.129 -7.369 -8.655
81 HA VAL 12 HA VAL 12 -9.500 -8.936 -9.358
82 HB VAL 12 HB VAL 12 -6.850 -9.739 -8.161
83 1HG1 VAL 12 1HG1 VAL 12 -7.794 -12.055 -8.075
84 2HG1 VAL 12 2HG1 VAL 12 -9.393 -11.355 -8.330
85 3HG1 VAL 12 3HG1 VAL 12 -8.476 -10.954 -6.877
86 1HG2 VAL 12 1HG2 VAL 12 -6.941 -11.312 -10.110
87 2HG2 VAL 12 2HG2 VAL 12 -6.831 -9.598 -10.527
88 3HG2 VAL 12 3HG2 VAL 12 -8.381 -10.441 -10.640
89 H SER 13 H SER 13 -10.669 -9.967 -7.665
90 HA SER 13 HA SER 13 -10.767 -8.223 -5.321
91 1HB SER 13 2HB SER 13 -12.978 -9.129 -4.919
92 2HB SER 13 1HB SER 13 -12.826 -8.536 -6.572
93 HG SER 13 HG SER 13 -13.601 -10.920 -5.817
94 H GLY 14 H GLY 14 -10.877 -8.929 -3.237
95 1HA GLY 14 2HA GLY 14 -10.798 -11.543 -2.285
96 2HA GLY 14 1HA GLY 14 -9.132 -11.021 -2.520
97 H ILE 15 H ILE 15 -9.537 -11.504 0.008
98 HA ILE 15 HA ILE 15 -10.347 -8.952 1.199
99 HB ILE 15 HB ILE 15 -10.156 -11.669 2.498
100 1HG1 ILE 15 2HG1 ILE 15 -12.398 -11.822 2.287
101 2HG1 ILE 15 1HG1 ILE 15 -12.632 -10.168 2.833
102 1HG2 ILE 15 1HG2 ILE 15 -9.348 -10.015 4.076
103 2HG2 ILE 15 2HG2 ILE 15 -10.967 -10.536 4.551
104 3HG2 ILE 15 3HG2 ILE 15 -10.748 -8.984 3.743
105 1HD1 ILE 15 1HD1 ILE 15 -12.107 -11.104 0.028
106 2HD1 ILE 15 2HD1 ILE 15 -12.118 -9.411 0.522
107 3HD1 ILE 15 3HD1 ILE 15 -13.579 -10.381 0.673
108 H ILE 16 H ILE 16 -9.041 -7.829 2.520
109 HA ILE 16 HA ILE 16 -6.228 -8.670 2.497
110 HB ILE 16 HB ILE 16 -7.497 -6.167 1.903
111 1HG1 ILE 16 2HG1 ILE 16 -4.582 -6.955 2.031
112 2HG1 ILE 16 1HG1 ILE 16 -5.646 -7.158 0.645
113 1HG2 ILE 16 1HG2 ILE 16 -7.306 -5.548 4.205
114 2HG2 ILE 16 2HG2 ILE 16 -6.132 -4.643 3.256
115 3HG2 ILE 16 3HG2 ILE 16 -5.606 -6.016 4.233
116 1HD1 ILE 16 1HD1 ILE 16 -5.174 -4.450 1.814
117 2HD1 ILE 16 2HD1 ILE 16 -5.685 -4.891 0.185
118 3HD1 ILE 16 3HD1 ILE 16 -4.020 -5.169 0.692
119 H ALA 17 H ALA 17 -5.509 -9.437 4.350
120 HA ALA 17 HA ALA 17 -6.780 -8.498 6.832
121 1HB ALA 17 1HB ALA 17 -5.568 -11.220 6.428
122 2HB ALA 17 2HB ALA 17 -7.278 -10.861 6.152
123 3HB ALA 17 3HB ALA 17 -6.579 -10.666 7.765
124 H ILE 18 H ILE 18 -5.536 -7.780 8.433
125 HA ILE 18 HA ILE 18 -2.637 -7.733 7.970
126 HB ILE 18 HB ILE 18 -4.497 -5.861 9.413
127 1HG1 ILE 18 2HG1 ILE 18 -2.425 -5.310 7.287
128 2HG1 ILE 18 1HG1 ILE 18 -4.100 -5.715 6.921
129 1HG2 ILE 18 1HG2 ILE 18 -1.681 -6.360 9.981
130 2HG2 ILE 18 2HG2 ILE 18 -2.897 -5.490 10.917
131 3HG2 ILE 18 3HG2 ILE 18 -2.039 -4.673 9.609
132 1HD1 ILE 18 1HD1 ILE 18 -4.777 -3.734 8.287
133 2HD1 ILE 18 2HD1 ILE 18 -3.886 -3.362 6.811
134 3HD1 ILE 18 3HD1 ILE 18 -3.071 -3.298 8.375
135 H ASN 19 H ASN 19 -1.217 -8.410 9.514
136 HA ASN 19 HA ASN 19 -2.322 -9.415 12.045
137 1HB ASN 19 2HB ASN 19 -0.455 -10.869 10.169
138 2HB ASN 19 1HB ASN 19 -0.717 -11.354 11.840
139 1HD2 ASN 19 1HD2 ASN 19 -1.257 -13.243 10.174
140 2HD2 ASN 19 2HD2 ASN 19 -2.951 -13.436 9.892
141 H GLU 20 H GLU 20 -1.402 -8.288 13.617
142 HA GLU 20 HA GLU 20 1.271 -7.194 13.261
143 1HB GLU 20 2HB GLU 20 -0.722 -6.827 15.505
144 2HB GLU 20 1HB GLU 20 0.811 -5.977 15.360
145 1HG GLU 20 2HG GLU 20 0.034 -4.980 13.251
146 2HG GLU 20 1HG GLU 20 -1.517 -5.790 13.462
147 H ASP 21 H ASP 21 0.250 -10.107 14.105
148 HA ASP 21 HA ASP 21 1.704 -10.520 16.555
149 1HB ASP 21 2HB ASP 21 0.442 -12.451 14.599
150 2HB ASP 21 1HB ASP 21 1.189 -12.932 16.120
151 H VAL 22 H VAL 22 2.437 -10.421 13.227
152 HA VAL 22 HA VAL 22 4.873 -11.999 13.561
153 HB VAL 22 HB VAL 22 4.960 -11.271 10.973
154 1HG1 VAL 22 1HG1 VAL 22 3.157 -13.544 11.559
155 2HG1 VAL 22 2HG1 VAL 22 4.766 -13.575 12.279
156 3HG1 VAL 22 3HG1 VAL 22 4.586 -13.466 10.528
157 1HG2 VAL 22 1HG2 VAL 22 2.783 -10.037 11.250
158 2HG2 VAL 22 2HG2 VAL 22 2.015 -11.610 11.462
159 3HG2 VAL 22 3HG2 VAL 22 2.827 -11.223 9.946
160 H SER 23 H SER 23 6.912 -11.147 13.241
161 HA SER 23 HA SER 23 7.044 -8.210 13.097
162 1HB SER 23 2HB SER 23 7.815 -8.644 15.236
163 2HB SER 23 1HB SER 23 8.544 -10.182 14.775
164 HG SER 23 HG SER 23 9.673 -7.753 14.903
165 HA PRO 24 HA PRO 24 7.615 -6.697 12.139
166 1HB PRO 24 2HB PRO 24 7.612 -5.783 9.430
167 2HB PRO 24 1HB PRO 24 8.599 -5.202 10.770
168 1HG PRO 24 2HG PRO 24 9.555 -6.551 8.547
169 2HG PRO 24 1HG PRO 24 10.409 -6.382 10.090
170 1HD PRO 24 2HD PRO 24 8.862 -8.694 9.018
171 2HD PRO 24 1HD PRO 24 10.319 -8.680 10.035
172 H ALA 25 H ALA 25 5.465 -6.179 12.051
173 HA ALA 25 HA ALA 25 3.556 -7.983 11.303
174 1HB ALA 25 1HB ALA 25 1.966 -6.015 11.235
175 2HB ALA 25 2HB ALA 25 3.375 -4.988 11.513
176 3HB ALA 25 3HB ALA 25 2.915 -6.200 12.710
177 H GLU 26 H GLU 26 2.339 -8.442 9.502
178 HA GLU 26 HA GLU 26 2.942 -6.930 7.055
179 1HB GLU 26 2HB GLU 26 2.781 -9.940 7.173
180 2HB GLU 26 1HB GLU 26 3.186 -8.955 5.774
181 1HG GLU 26 2HG GLU 26 5.205 -8.166 7.009
182 2HG GLU 26 1HG GLU 26 4.820 -9.341 8.268
183 H LEU 27 H LEU 27 1.430 -7.479 5.260
184 HA LEU 27 HA LEU 27 -1.283 -8.013 6.278
185 1HB LEU 27 2HB LEU 27 -1.173 -5.686 5.779
186 2HB LEU 27 1HB LEU 27 -0.321 -5.976 4.276
187 HG LEU 27 HG LEU 27 -3.093 -7.047 4.608
188 1HD1 LEU 27 1HD1 LEU 27 -3.745 -4.941 5.123
189 2HD1 LEU 27 2HD1 LEU 27 -3.617 -4.739 3.376
190 3HD1 LEU 27 3HD1 LEU 27 -2.305 -4.203 4.424
191 1HD2 LEU 27 1HD2 LEU 27 -2.486 -7.729 2.560
192 2HD2 LEU 27 2HD2 LEU 27 -1.162 -6.570 2.456
193 3HD2 LEU 27 3HD2 LEU 27 -2.810 -6.064 2.082
194 H THR 28 H THR 28 -2.406 -9.566 5.223
195 HA THR 28 HA THR 28 -1.226 -10.599 2.728
196 HB THR 28 HB THR 28 -2.720 -12.154 4.847
197 HG1 THR 28 HG1 THR 28 -0.733 -12.951 5.410
198 1HG2 THR 28 1HG2 THR 28 -2.787 -12.983 2.420
199 2HG2 THR 28 2HG2 THR 28 -2.284 -14.107 3.683
200 3HG2 THR 28 3HG2 THR 28 -1.076 -13.342 2.653
201 H TRP 29 H TRP 29 -2.446 -10.605 0.988
202 HA TRP 29 HA TRP 29 -5.299 -10.034 1.219
203 1HB TRP 29 2HB TRP 29 -4.039 -8.494 -0.182
204 2HB TRP 29 1HB TRP 29 -3.376 -9.835 -1.111
205 HD1 TRP 29 HD1 TRP 29 -6.808 -8.258 -0.364
206 HE1 TRP 29 HE1 TRP 29 -8.295 -8.516 -2.453
207 HE3 TRP 29 HE3 TRP 29 -3.619 -10.988 -3.257
208 HZ2 TRP 29 HZ2 TRP 29 -8.122 -9.745 -4.999
209 HZ3 TRP 29 HZ3 TRP 29 -4.353 -11.674 -5.504
210 HH2 TRP 29 HH2 TRP 29 -6.556 -11.066 -6.352
211 H ARG 30 H ARG 30 -6.776 -11.542 0.692
212 HA ARG 30 HA ARG 30 -5.845 -13.925 -0.770
213 1HB ARG 30 2HB ARG 30 -6.158 -14.434 1.617
214 2HB ARG 30 1HB ARG 30 -7.821 -13.870 1.518
215 1HG ARG 30 2HG ARG 30 -8.547 -15.772 0.580
216 2HG ARG 30 1HG ARG 30 -7.108 -15.945 -0.429
217 1HD ARG 30 2HD ARG 30 -5.850 -16.774 1.482
218 2HD ARG 30 1HD ARG 30 -7.256 -16.554 2.524
219 HE ARG 30 HE ARG 30 -8.082 -18.533 1.746
220 1HH1 ARG 30 1HH1 ARG 30 -5.649 -17.400 -0.485
221 2HH1 ARG 30 2HH1 ARG 30 -5.679 -18.843 -1.442
222 1HH2 ARG 30 1HH2 ARG 30 -8.121 -20.431 0.487
223 2HH2 ARG 30 2HH2 ARG 30 -7.081 -20.562 -0.891
224 H SER 31 H SER 31 -6.807 -14.046 -2.674
225 HA SER 31 HA SER 31 -8.840 -12.523 -3.659
226 1HB SER 31 2HB SER 31 -7.522 -13.917 -5.124
227 2HB SER 31 1HB SER 31 -8.157 -15.381 -4.372
228 HG SER 31 HG SER 31 -9.708 -15.277 -5.768
229 H THR 32 H THR 32 -11.067 -13.244 -4.357
230 HA THR 32 HA THR 32 -12.562 -13.979 -2.042
231 HB THR 32 HB THR 32 -14.145 -14.067 -4.436
232 HG1 THR 32 HG1 THR 32 -12.514 -11.763 -4.199
233 1HG2 THR 32 1HG2 THR 32 -15.271 -12.165 -3.504
234 2HG2 THR 32 2HG2 THR 32 -13.944 -11.890 -2.374
235 3HG2 THR 32 3HG2 THR 32 -14.944 -13.335 -2.228
236 H ASP 33 H ASP 33 -11.767 -15.441 -5.106
237 HA ASP 33 HA ASP 33 -13.209 -17.843 -4.566
238 1HB ASP 33 2HB ASP 33 -11.278 -17.118 -6.766
239 2HB ASP 33 1HB ASP 33 -12.134 -18.655 -6.681
240 H GLY 34 H GLY 34 -10.044 -16.655 -3.983
241 1HA GLY 34 2HA GLY 34 -8.484 -17.616 -2.526
242 2HA GLY 34 1HA GLY 34 -9.351 -19.140 -2.636
243 H ASP 35 H ASP 35 -8.311 -17.261 -5.414
244 HA ASP 35 HA ASP 35 -6.503 -19.467 -6.124
245 1HB ASP 35 2HB ASP 35 -7.957 -17.476 -7.872
246 2HB ASP 35 1HB ASP 35 -6.772 -18.632 -8.473
247 H LYS 36 H LYS 36 -6.615 -16.134 -5.344
248 HA LYS 36 HA LYS 36 -3.774 -15.884 -6.075
249 1HB LYS 36 2HB LYS 36 -5.629 -13.520 -6.068
250 2HB LYS 36 1HB LYS 36 -4.050 -13.680 -6.827
251 1HG LYS 36 2HG LYS 36 -5.605 -15.634 -8.041
252 2HG LYS 36 1HG LYS 36 -6.677 -14.242 -7.886
253 1HD LYS 36 2HD LYS 36 -3.948 -14.273 -9.173
254 2HD LYS 36 1HD LYS 36 -5.499 -14.160 -10.005
255 1HE LYS 36 2HE LYS 36 -5.072 -11.947 -9.936
256 2HE LYS 36 1HE LYS 36 -5.722 -12.085 -8.304
257 1HZ LYS 36 1HZ LYS 36 -3.711 -11.762 -7.383
258 2HZ LYS 36 2HZ LYS 36 -3.351 -11.020 -8.858
259 3HZ LYS 36 3HZ LYS 36 -2.882 -12.622 -8.583
260 H VAL 37 H VAL 37 -2.441 -15.130 -4.523
261 HA VAL 37 HA VAL 37 -3.599 -13.862 -2.152
262 HB VAL 37 HB VAL 37 -3.363 -16.288 -1.669
263 1HG1 VAL 37 1HG1 VAL 37 -1.140 -16.277 -3.129
264 2HG1 VAL 37 2HG1 VAL 37 -1.421 -17.455 -1.847
265 3HG1 VAL 37 3HG1 VAL 37 -0.413 -16.041 -1.540
266 1HG2 VAL 37 1HG2 VAL 37 -3.331 -15.129 0.294
267 2HG2 VAL 37 2HG2 VAL 37 -1.924 -14.168 -0.167
268 3HG2 VAL 37 3HG2 VAL 37 -1.718 -15.839 0.357
269 H HIS 38 H HIS 38 -2.335 -12.311 -1.227
270 HA HIS 38 HA HIS 38 0.422 -12.020 -2.187
271 1HB HIS 38 2HB HIS 38 -1.167 -10.543 -3.486
272 2HB HIS 38 1HB HIS 38 -1.462 -9.680 -1.981
273 HD1 HIS 38 HD1 HIS 38 1.553 -10.637 -4.103
274 HD2 HIS 38 HD2 HIS 38 0.191 -7.575 -1.648
275 HE1 HIS 38 HE1 HIS 38 3.327 -8.855 -4.204
276 HE2 HIS 38 HE2 HIS 38 2.439 -6.978 -2.779
277 H THR 39 H THR 39 1.838 -11.030 -0.793
278 HA THR 39 HA THR 39 0.810 -10.390 1.891
279 HB THR 39 HB THR 39 3.367 -11.886 1.286
280 HG1 THR 39 HG1 THR 39 2.216 -13.616 1.426
281 1HG2 THR 39 1HG2 THR 39 3.731 -10.753 3.304
282 2HG2 THR 39 2HG2 THR 39 3.243 -12.386 3.759
283 3HG2 THR 39 3HG2 THR 39 2.086 -11.058 3.866
284 H VAL 40 H VAL 40 1.586 -8.566 2.810
285 HA VAL 40 HA VAL 40 3.871 -7.232 1.518
286 HB VAL 40 HB VAL 40 1.319 -5.886 2.408
287 1HG1 VAL 40 1HG1 VAL 40 4.028 -4.863 1.909
288 2HG1 VAL 40 2HG1 VAL 40 2.702 -4.162 2.838
289 3HG1 VAL 40 3HG1 VAL 40 2.740 -3.985 1.081
290 1HG2 VAL 40 1HG2 VAL 40 0.986 -5.327 0.091
291 2HG2 VAL 40 2HG2 VAL 40 1.199 -7.073 0.229
292 3HG2 VAL 40 3HG2 VAL 40 2.527 -6.066 -0.351
293 H VAL 41 H VAL 41 5.263 -6.172 2.831
294 HA VAL 41 HA VAL 41 5.035 -6.692 5.679
295 HB VAL 41 HB VAL 41 7.212 -7.090 4.869
296 1HG1 VAL 41 1HG1 VAL 41 6.868 -4.546 3.340
297 2HG1 VAL 41 2HG1 VAL 41 7.265 -6.160 2.752
298 3HG1 VAL 41 3HG1 VAL 41 8.471 -5.226 3.637
299 1HG2 VAL 41 1HG2 VAL 41 8.630 -5.241 5.870
300 2HG2 VAL 41 2HG2 VAL 41 7.444 -5.990 6.939
301 3HG2 VAL 41 3HG2 VAL 41 7.118 -4.410 6.228
302 H LEU 42 H LEU 42 4.028 -5.294 6.963
303 HA LEU 42 HA LEU 42 3.282 -2.697 6.057
304 1HB LEU 42 2HB LEU 42 3.035 -3.868 8.823
305 2HB LEU 42 1HB LEU 42 2.179 -2.467 8.208
306 HG LEU 42 HG LEU 42 1.819 -5.336 7.350
307 1HD1 LEU 42 1HD1 LEU 42 0.771 -4.590 9.490
308 2HD1 LEU 42 2HD1 LEU 42 -0.373 -5.134 8.263
309 3HD1 LEU 42 3HD1 LEU 42 -0.153 -3.410 8.560
310 1HD2 LEU 42 1HD2 LEU 42 -0.176 -3.784 6.189
311 2HD2 LEU 42 2HD2 LEU 42 1.175 -4.563 5.367
312 3HD2 LEU 42 3HD2 LEU 42 1.315 -2.888 5.898
313 H SER 43 H SER 43 5.810 -3.946 8.112
314 HA SER 43 HA SER 43 6.504 -1.688 9.553
315 1HB SER 43 2HB SER 43 7.567 -3.697 10.157
316 2HB SER 43 1HB SER 43 8.145 -3.986 8.517
317 HG SER 43 HG SER 43 9.892 -3.197 9.514
318 H THR 44 H THR 44 6.890 -2.261 6.184
319 HA THR 44 HA THR 44 8.916 -0.197 5.893
320 HB THR 44 HB THR 44 9.340 -1.039 3.835
321 HG1 THR 44 HG1 THR 44 7.861 -1.096 2.346
322 1HG2 THR 44 1HG2 THR 44 9.210 -3.057 5.274
323 2HG2 THR 44 2HG2 THR 44 8.926 -3.361 3.561
324 3HG2 THR 44 3HG2 THR 44 7.568 -3.305 4.684
325 H ILE 45 H ILE 45 5.502 -0.520 5.713
326 HA ILE 45 HA ILE 45 4.718 1.413 3.940
327 HB ILE 45 HB ILE 45 3.491 0.857 6.644
328 1HG1 ILE 45 2HG1 ILE 45 3.685 -1.114 5.181
329 2HG1 ILE 45 1HG1 ILE 45 2.004 -0.639 5.403
330 1HG2 ILE 45 1HG2 ILE 45 2.273 2.180 4.221
331 2HG2 ILE 45 2HG2 ILE 45 2.735 2.997 5.715
332 3HG2 ILE 45 3HG2 ILE 45 1.441 1.799 5.729
333 1HD1 ILE 45 1HD1 ILE 45 2.390 -1.243 3.110
334 2HD1 ILE 45 2HD1 ILE 45 3.724 -0.095 2.996
335 3HD1 ILE 45 3HD1 ILE 45 2.075 0.489 3.216
336 H ASP 46 H ASP 46 5.638 3.334 3.708
337 HA ASP 46 HA ASP 46 6.299 4.922 6.075
338 1HB ASP 46 2HB ASP 46 7.961 4.486 4.170
339 2HB ASP 46 1HB ASP 46 6.992 5.613 3.227
340 H LYS 47 H LYS 47 3.992 4.734 3.509
341 HA LYS 47 HA LYS 47 2.645 7.067 4.569
342 1HB LYS 47 2HB LYS 47 3.586 6.995 1.696
343 2HB LYS 47 1HB LYS 47 2.432 8.154 2.339
344 1HG LYS 47 2HG LYS 47 4.160 8.941 3.920
345 2HG LYS 47 1HG LYS 47 5.310 7.839 3.160
346 1HD LYS 47 2HD LYS 47 4.898 8.991 0.996
347 2HD LYS 47 1HD LYS 47 3.878 10.150 1.851
348 1HE LYS 47 2HE LYS 47 6.236 10.905 1.441
349 2HE LYS 47 1HE LYS 47 5.717 10.954 3.125
350 1HZ LYS 47 1HZ LYS 47 6.937 9.002 3.602
351 2HZ LYS 47 2HZ LYS 47 7.980 10.007 2.727
352 3HZ LYS 47 3HZ LYS 47 7.241 8.690 1.966
353 H LEU 48 H LEU 48 0.504 6.858 4.469
354 HA LEU 48 HA LEU 48 -0.573 4.633 2.875
355 1HB LEU 48 2HB LEU 48 -1.556 5.939 5.407
356 2HB LEU 48 1HB LEU 48 -2.526 4.815 4.475
357 HG LEU 48 HG LEU 48 0.147 4.145 5.703
358 1HD1 LEU 48 1HD1 LEU 48 -2.479 3.094 6.663
359 2HD1 LEU 48 2HD1 LEU 48 -1.883 4.650 7.239
360 3HD1 LEU 48 3HD1 LEU 48 -0.933 3.190 7.506
361 1HD2 LEU 48 1HD2 LEU 48 -1.961 2.407 4.426
362 2HD2 LEU 48 2HD2 LEU 48 -0.474 1.841 5.188
363 3HD2 LEU 48 3HD2 LEU 48 -0.396 2.821 3.725
364 H GLN 49 H GLN 49 -1.822 5.100 1.201
365 HA GLN 49 HA GLN 49 -3.022 7.787 1.055
366 1HB GLN 49 2HB GLN 49 -1.243 6.643 -0.702
367 2HB GLN 49 1HB GLN 49 -2.791 6.295 -1.462
368 1HG GLN 49 2HG GLN 49 -3.304 8.539 -1.739
369 2HG GLN 49 1HG GLN 49 -2.147 9.055 -0.513
370 1HE2 GLN 49 1HE2 GLN 49 -1.650 6.805 -3.179
371 2HE2 GLN 49 2HE2 GLN 49 -0.444 7.745 -3.987
372 H ALA 50 H ALA 50 -5.176 7.970 0.735
373 HA ALA 50 HA ALA 50 -6.701 5.608 -0.067
374 1HB ALA 50 1HB ALA 50 -6.552 6.537 2.617
375 2HB ALA 50 2HB ALA 50 -7.506 5.208 1.957
376 3HB ALA 50 3HB ALA 50 -8.182 6.835 2.011
377 H THR 51 H THR 51 -8.638 6.045 -1.082
378 HA THR 51 HA THR 51 -8.865 8.649 -2.251
379 HB THR 51 HB THR 51 -10.836 7.680 -3.417
380 HG1 THR 51 HG1 THR 51 -11.775 6.134 -2.362
381 1HG2 THR 51 1HG2 THR 51 -8.524 5.758 -3.460
382 2HG2 THR 51 2HG2 THR 51 -8.546 7.305 -4.306
383 3HG2 THR 51 3HG2 THR 51 -9.706 6.048 -4.736
384 HA PRO 52 HA PRO 52 -11.506 10.367 0.900
385 1HB PRO 52 2HB PRO 52 -12.389 12.530 -0.505
386 2HB PRO 52 1HB PRO 52 -10.795 12.446 0.251
387 1HG PRO 52 2HG PRO 52 -11.566 11.972 -2.601
388 2HG PRO 52 1HG PRO 52 -10.174 12.857 -1.951
389 1HD PRO 52 2HD PRO 52 -9.958 10.339 -2.891
390 2HD PRO 52 1HD PRO 52 -8.981 10.923 -1.528
391 H ALA 53 H ALA 53 -13.717 10.629 1.354
392 HA ALA 53 HA ALA 53 -15.468 8.895 0.019
393 1HB ALA 53 1HB ALA 53 -17.241 10.022 1.407
394 2HB ALA 53 2HB ALA 53 -15.979 11.101 2.000
395 3HB ALA 53 3HB ALA 53 -15.873 9.368 2.307
396 H SER 54 H SER 54 -14.909 12.347 -0.306
397 HA SER 54 HA SER 54 -17.177 13.034 -1.785
398 1HB SER 54 2HB SER 54 -14.403 14.218 -2.028
399 2HB SER 54 1HB SER 54 -15.910 14.984 -2.530
400 HG SER 54 HG SER 54 -15.099 14.324 0.106
401 H SER 55 H SER 55 -14.295 11.360 -2.698
402 HA SER 55 HA SER 55 -14.722 11.655 -5.522
403 1HB SER 55 2HB SER 55 -12.780 9.955 -3.952
404 2HB SER 55 1HB SER 55 -12.807 10.069 -5.711
405 HG SER 55 HG SER 55 -12.433 12.333 -5.464
406 H GLU 56 H GLU 56 -16.097 10.503 -6.658
407 HA GLU 56 HA GLU 56 -17.648 8.416 -5.635
408 1HB GLU 56 2HB GLU 56 -16.998 9.103 -8.506
409 2HB GLU 56 1HB GLU 56 -18.268 7.994 -8.008
410 1HG GLU 56 2HG GLU 56 -19.369 9.835 -6.801
411 2HG GLU 56 1HG GLU 56 -18.119 10.934 -7.380
412 H LYS 57 H LYS 57 -14.437 8.433 -6.786
413 HA LYS 57 HA LYS 57 -14.405 5.634 -7.497
414 1HB LYS 57 2HB LYS 57 -11.930 6.018 -7.768
415 2HB LYS 57 1HB LYS 57 -12.981 6.947 -8.826
416 1HG LYS 57 2HG LYS 57 -11.218 8.350 -8.025
417 2HG LYS 57 1HG LYS 57 -12.742 8.872 -7.306
418 1HD LYS 57 2HD LYS 57 -12.100 8.312 -5.225
419 2HD LYS 57 1HD LYS 57 -11.271 6.855 -5.772
420 1HE LYS 57 2HE LYS 57 -9.841 8.735 -4.772
421 2HE LYS 57 1HE LYS 57 -9.313 8.022 -6.295
422 1HZ LYS 57 1HZ LYS 57 -9.253 10.515 -6.162
423 2HZ LYS 57 2HZ LYS 57 -10.943 10.492 -6.168
424 3HZ LYS 57 3HZ LYS 57 -10.086 9.879 -7.490
425 H MET 58 H MET 58 -13.300 3.994 -6.439
426 HA MET 58 HA MET 58 -12.733 4.523 -3.589
427 1HB MET 58 2HB MET 58 -13.620 1.859 -4.662
428 2HB MET 58 1HB MET 58 -13.680 2.451 -3.009
429 1HG MET 58 2HG MET 58 -15.298 3.827 -5.095
430 2HG MET 58 1HG MET 58 -15.845 2.277 -4.461
431 1HE MET 58 1HE MET 58 -16.298 2.995 -0.680
432 2HE MET 58 2HE MET 58 -14.756 2.503 -1.384
433 3HE MET 58 3HE MET 58 -16.262 1.789 -1.966
434 H MET 59 H MET 59 -10.712 4.014 -2.901
435 HA MET 59 HA MET 59 -9.246 1.786 -3.721
436 1HB MET 59 2HB MET 59 -9.258 3.548 -5.768
437 2HB MET 59 1HB MET 59 -7.837 4.099 -4.896
438 1HG MET 59 2HG MET 59 -7.436 1.410 -4.940
439 2HG MET 59 1HG MET 59 -8.256 1.677 -6.477
440 1HE MET 59 1HE MET 59 -7.081 4.913 -6.548
441 2HE MET 59 2HE MET 59 -7.488 3.935 -7.958
442 3HE MET 59 3HE MET 59 -5.882 4.649 -7.814
443 H LEU 60 H LEU 60 -6.956 1.841 -3.055
444 HA LEU 60 HA LEU 60 -6.199 3.909 -1.154
445 1HB LEU 60 2HB LEU 60 -7.558 1.855 -0.115
446 2HB LEU 60 1HB LEU 60 -5.967 1.118 -0.157
447 HG LEU 60 HG LEU 60 -6.320 3.810 1.103
448 1HD1 LEU 60 1HD1 LEU 60 -7.553 3.044 2.777
449 2HD1 LEU 60 2HD1 LEU 60 -6.378 1.767 3.088
450 3HD1 LEU 60 3HD1 LEU 60 -7.699 1.492 1.952
451 1HD2 LEU 60 1HD2 LEU 60 -4.101 2.505 0.595
452 2HD2 LEU 60 2HD2 LEU 60 -4.531 1.634 2.065
453 3HD2 LEU 60 3HD2 LEU 60 -4.308 3.382 2.111
454 H ARG 61 H ARG 61 -3.997 4.167 -1.063
455 HA ARG 61 HA ARG 61 -2.379 2.158 -2.492
456 1HB ARG 61 2HB ARG 61 -2.856 4.776 -3.276
457 2HB ARG 61 1HB ARG 61 -1.263 4.846 -2.540
458 1HG ARG 61 2HG ARG 61 -1.653 2.597 -4.375
459 2HG ARG 61 1HG ARG 61 -1.757 4.191 -5.125
460 1HD ARG 61 2HD ARG 61 0.421 4.639 -3.733
461 2HD ARG 61 1HD ARG 61 0.543 2.879 -3.751
462 HE ARG 61 HE ARG 61 1.109 2.977 -5.966
463 1HH1 ARG 61 1HH1 ARG 61 -0.265 6.042 -5.020
464 2HH1 ARG 61 2HH1 ARG 61 0.125 6.820 -6.516
465 1HH2 ARG 61 1HH2 ARG 61 1.622 3.998 -7.935
466 2HH2 ARG 61 2HH2 ARG 61 1.197 5.660 -8.172
467 H LEU 62 H LEU 62 -0.738 1.318 -1.406
468 HA LEU 62 HA LEU 62 0.089 2.554 1.132
469 1HB LEU 62 2HB LEU 62 0.401 -0.224 0.001
470 2HB LEU 62 1HB LEU 62 1.253 0.304 1.435
471 HG LEU 62 HG LEU 62 -0.606 0.203 2.753
472 1HD1 LEU 62 1HD1 LEU 62 -2.303 0.731 0.318
473 2HD1 LEU 62 2HD1 LEU 62 -1.909 1.877 1.599
474 3HD1 LEU 62 3HD1 LEU 62 -2.922 0.476 1.950
475 1HD2 LEU 62 1HD2 LEU 62 -1.391 -1.660 0.517
476 2HD2 LEU 62 2HD2 LEU 62 -1.927 -1.755 2.194
477 3HD2 LEU 62 3HD2 LEU 62 -0.230 -2.025 1.794
478 H ILE 63 H ILE 63 2.174 3.187 1.500
479 HA ILE 63 HA ILE 63 4.016 2.995 -0.797
480 HB ILE 63 HB ILE 63 4.097 5.191 1.253
481 1HG1 ILE 63 2HG1 ILE 63 1.970 4.825 -0.481
482 2HG1 ILE 63 1HG1 ILE 63 2.437 6.348 0.260
483 1HG2 ILE 63 1HG2 ILE 63 6.135 5.004 0.096
484 2HG2 ILE 63 2HG2 ILE 63 5.279 6.343 -0.672
485 3HG2 ILE 63 3HG2 ILE 63 5.327 4.761 -1.453
486 1HD1 ILE 63 1HD1 ILE 63 3.585 7.043 -1.675
487 2HD1 ILE 63 2HD1 ILE 63 2.039 6.388 -2.216
488 3HD1 ILE 63 3HD1 ILE 63 3.511 5.430 -2.387
489 H GLY 64 H GLY 64 5.909 2.021 -0.447
490 1HA GLY 64 2HA GLY 64 6.580 1.271 2.304
491 2HA GLY 64 1HA GLY 64 7.248 0.555 0.843
492 H LYS 65 H LYS 65 8.751 1.450 3.096
493 HA LYS 65 HA LYS 65 9.865 3.993 2.811
494 1HB LYS 65 2HB LYS 65 11.235 1.488 3.808
495 2HB LYS 65 1HB LYS 65 11.754 3.140 4.112
496 1HG LYS 65 2HG LYS 65 9.228 3.255 5.043
497 2HG LYS 65 1HG LYS 65 9.613 1.563 5.365
498 1HD LYS 65 2HD LYS 65 11.367 2.105 6.794
499 2HD LYS 65 1HD LYS 65 11.523 3.736 6.137
500 1HE LYS 65 2HE LYS 65 10.406 4.324 8.001
501 2HE LYS 65 1HE LYS 65 8.992 3.820 7.080
502 1HZ LYS 65 1HZ LYS 65 8.845 1.842 8.224
503 2HZ LYS 65 2HZ LYS 65 9.354 2.896 9.444
504 3HZ LYS 65 3HZ LYS 65 10.466 1.857 8.707
505 H VAL 66 H VAL 66 11.984 4.602 2.007
506 HA VAL 66 HA VAL 66 12.811 3.006 -0.327
507 HB VAL 66 HB VAL 66 11.601 5.302 -0.679
508 1HG1 VAL 66 1HG1 VAL 66 13.485 6.325 0.878
509 2HG1 VAL 66 2HG1 VAL 66 12.744 7.243 -0.433
510 3HG1 VAL 66 3HG1 VAL 66 14.315 6.478 -0.671
511 1HG2 VAL 66 1HG2 VAL 66 13.360 3.762 -2.190
512 2HG2 VAL 66 2HG2 VAL 66 13.896 5.428 -2.409
513 3HG2 VAL 66 3HG2 VAL 66 12.231 4.981 -2.780
514 H ASP 67 H ASP 67 15.011 4.610 -1.009
515 HA ASP 67 HA ASP 67 16.778 5.081 1.138
516 1HB ASP 67 2HB ASP 67 16.659 2.591 1.272
517 2HB ASP 67 1HB ASP 67 17.285 2.508 -0.372
518 H GLU 68 H GLU 68 16.399 6.811 -0.666
519 HA GLU 68 HA GLU 68 17.636 6.608 -3.153
520 1HB GLU 68 2HB GLU 68 17.293 9.062 -1.423
521 2HB GLU 68 1HB GLU 68 17.679 9.077 -3.139
522 1HG GLU 68 2HG GLU 68 15.539 7.945 -3.598
523 2HG GLU 68 1HG GLU 68 15.151 8.035 -1.882
524 H SER 69 H SER 69 19.024 6.884 -0.033
525 HA SER 69 HA SER 69 21.438 8.158 -0.586
526 1HB SER 69 2HB SER 69 20.952 5.902 1.372
527 2HB SER 69 1HB SER 69 22.309 7.028 1.406
528 HG SER 69 HG SER 69 20.895 8.690 1.866
529 H LYS 70 H LYS 70 20.298 5.095 -1.603
530 HA LYS 70 HA LYS 70 22.710 3.685 -1.875
531 1HB LYS 70 2HB LYS 70 20.172 3.520 -3.507
532 2HB LYS 70 1HB LYS 70 21.486 2.355 -3.591
533 1HG LYS 70 2HG LYS 70 19.928 2.977 -1.092
534 2HG LYS 70 1HG LYS 70 19.582 1.631 -2.180
535 1HD LYS 70 2HD LYS 70 20.919 0.542 -0.696
536 2HD LYS 70 1HD LYS 70 22.169 1.158 -1.780
537 1HE LYS 70 2HE LYS 70 21.825 3.243 -0.039
538 2HE LYS 70 1HE LYS 70 21.581 1.843 1.005
539 1HZ LYS 70 1HZ LYS 70 23.887 1.884 -0.816
540 2HZ LYS 70 2HZ LYS 70 23.716 1.118 0.683
541 3HZ LYS 70 3HZ LYS 70 23.953 2.791 0.612
542 H LYS 71 H LYS 71 20.982 5.783 -4.167
543 HA LYS 71 HA LYS 71 21.670 6.903 -6.019
544 1HB LYS 71 2HB LYS 71 24.167 6.635 -4.426
545 2HB LYS 71 1HB LYS 71 24.338 7.108 -6.112
546 1HG LYS 71 2HG LYS 71 22.410 8.538 -4.334
547 2HG LYS 71 1HG LYS 71 24.130 8.932 -4.296
548 1HD LYS 71 2HD LYS 71 24.030 9.289 -6.764
549 2HD LYS 71 1HD LYS 71 22.282 9.063 -6.677
550 1HE LYS 71 2HE LYS 71 22.252 11.298 -6.429
551 2HE LYS 71 1HE LYS 71 22.641 10.925 -4.750
552 1HZ LYS 71 1HZ LYS 71 24.702 11.424 -6.822
553 2HZ LYS 71 2HZ LYS 71 24.924 11.331 -5.149
554 3HZ LYS 71 3HZ LYS 71 24.084 12.638 -5.817
555 H ARG 72 H ARG 72 21.028 5.483 -7.575
556 HA ARG 72 HA ARG 72 22.938 3.420 -8.426
557 1HB ARG 72 2HB ARG 72 20.008 3.782 -9.072
558 2HB ARG 72 1HB ARG 72 21.021 2.506 -9.728
559 1HG ARG 72 2HG ARG 72 20.519 2.911 -6.790
560 2HG ARG 72 1HG ARG 72 19.595 1.810 -7.816
561 1HD ARG 72 2HD ARG 72 21.699 0.638 -8.378
562 2HD ARG 72 1HD ARG 72 22.557 1.693 -7.256
563 HE ARG 72 HE ARG 72 20.409 0.435 -5.932
564 1HH1 ARG 72 1HH1 ARG 72 23.561 -0.267 -7.255
565 2HH1 ARG 72 2HH1 ARG 72 23.868 -1.572 -6.160
566 1HH2 ARG 72 1HH2 ARG 72 20.811 -1.282 -4.490
567 2HH2 ARG 72 2HH2 ARG 72 22.307 -2.150 -4.590
568 H LYS 73 H LYS 73 23.070 3.058 -10.825
569 HA LYS 73 HA LYS 73 22.930 5.615 -12.278
570 1HB LYS 73 2HB LYS 73 25.127 3.546 -12.443
571 2HB LYS 73 1HB LYS 73 25.009 4.982 -13.451
572 1HG LYS 73 2HG LYS 73 24.857 5.986 -10.889
573 2HG LYS 73 1HG LYS 73 26.034 4.678 -10.754
574 1HD LYS 73 2HD LYS 73 26.914 5.812 -13.011
575 2HD LYS 73 1HD LYS 73 26.183 7.229 -12.254
576 1HE LYS 73 2HE LYS 73 27.580 7.063 -10.363
577 2HE LYS 73 1HE LYS 73 28.090 5.429 -10.785
578 1HZ LYS 73 1HZ LYS 73 29.053 7.985 -11.771
579 2HZ LYS 73 2HZ LYS 73 28.897 6.768 -12.936
580 3HZ LYS 73 3HZ LYS 73 29.874 6.517 -11.578
581 H ASP 74 H ASP 74 22.386 5.541 -14.441
582 HA ASP 74 HA ASP 74 20.929 3.174 -15.254
583 1HB ASP 74 2HB ASP 74 20.267 5.706 -15.551
584 2HB ASP 74 1HB ASP 74 21.245 5.576 -17.009
585 H ASN 75 H ASN 75 21.111 2.624 -17.696
586 HA ASN 75 HA ASN 75 23.659 1.527 -18.136
587 1HB ASN 75 2HB ASN 75 21.195 1.059 -19.159
588 2HB ASN 75 1HB ASN 75 21.936 1.917 -20.506
589 1HD2 ASN 75 1HD2 ASN 75 24.572 1.042 -20.165
590 2HD2 ASN 75 2HD2 ASN 75 24.639 -0.643 -20.539
591 H GLU 76 H GLU 76 22.445 4.659 -18.764
592 HA GLU 76 HA GLU 76 24.340 5.228 -20.886
593 1HB GLU 76 2HB GLU 76 22.415 7.050 -19.434
594 2HB GLU 76 1HB GLU 76 23.366 7.488 -20.847
595 1HG GLU 76 2HG GLU 76 22.199 5.745 -22.137
596 2HG GLU 76 1HG GLU 76 21.206 5.396 -20.723
597 H GLY 77 H GLY 77 24.816 4.772 -17.745
598 1HA GLY 77 2HA GLY 77 26.693 5.294 -16.485
599 2HA GLY 77 1HA GLY 77 27.144 6.480 -17.701
600 H ASN 78 H ASN 78 24.006 7.136 -17.019
601 HA ASN 78 HA ASN 78 24.735 9.387 -15.355
602 1HB ASN 78 2HB ASN 78 22.019 8.574 -16.413
603 2HB ASN 78 1HB ASN 78 22.434 10.128 -15.697
604 1HD2 ASN 78 1HD2 ASN 78 21.744 8.793 -18.502
605 2HD2 ASN 78 2HD2 ASN 78 22.729 9.724 -19.572
606 H GLU 79 H GLU 79 23.523 9.925 -13.395
607 HA GLU 79 HA GLU 79 23.106 7.530 -11.770
608 1HB GLU 79 2HB GLU 79 23.412 10.432 -10.974
609 2HB GLU 79 1HB GLU 79 23.220 9.094 -9.849
610 1HG GLU 79 2HG GLU 79 25.310 8.114 -10.691
611 2HG GLU 79 1HG GLU 79 25.510 9.503 -11.759
612 H VAL 80 H VAL 80 21.252 7.197 -10.525
613 HA VAL 80 HA VAL 80 18.979 8.987 -10.974
614 HB VAL 80 HB VAL 80 18.315 7.548 -12.606
615 1HG1 VAL 80 1HG1 VAL 80 19.512 5.201 -11.143
616 2HG1 VAL 80 2HG1 VAL 80 20.312 6.107 -12.427
617 3HG1 VAL 80 3HG1 VAL 80 18.841 5.199 -12.775
618 1HG2 VAL 80 1HG2 VAL 80 17.356 5.984 -10.211
619 2HG2 VAL 80 2HG2 VAL 80 16.621 6.030 -11.813
620 3HG2 VAL 80 3HG2 VAL 80 16.622 7.475 -10.805
621 H VAL 81 H VAL 81 17.321 8.797 -9.513
622 HA VAL 81 HA VAL 81 18.124 7.688 -6.928
623 HB VAL 81 HB VAL 81 17.736 10.061 -6.931
624 1HG1 VAL 81 1HG1 VAL 81 14.914 9.569 -7.838
625 2HG1 VAL 81 2HG1 VAL 81 16.225 10.040 -8.922
626 3HG1 VAL 81 3HG1 VAL 81 15.728 11.116 -7.615
627 1HG2 VAL 81 1HG2 VAL 81 16.434 10.193 -5.029
628 2HG2 VAL 81 2HG2 VAL 81 16.835 8.476 -5.060
629 3HG2 VAL 81 3HG2 VAL 81 15.258 9.024 -5.628
630 HA PRO 82 HA PRO 82 15.142 4.421 -8.093
631 1HB PRO 82 2HB PRO 82 15.805 3.789 -5.246
632 2HB PRO 82 1HB PRO 82 15.672 2.705 -6.637
633 1HG PRO 82 2HG PRO 82 18.058 3.446 -5.715
634 2HG PRO 82 1HG PRO 82 17.762 3.280 -7.454
635 1HD PRO 82 2HD PRO 82 18.052 5.738 -5.809
636 2HD PRO 82 1HD PRO 82 18.468 5.460 -7.511
637 H LYS 83 H LYS 83 12.995 4.160 -7.659
638 HA LYS 83 HA LYS 83 11.780 6.141 -5.899
639 1HB LYS 83 2HB LYS 83 10.374 4.209 -7.746
640 2HB LYS 83 1HB LYS 83 9.720 5.679 -7.037
641 1HG LYS 83 2HG LYS 83 10.697 7.021 -8.569
642 2HG LYS 83 1HG LYS 83 12.120 5.989 -8.728
643 1HD LYS 83 2HD LYS 83 11.168 4.689 -10.340
644 2HD LYS 83 1HD LYS 83 9.536 4.909 -9.705
645 1HE LYS 83 2HE LYS 83 9.362 7.073 -10.671
646 2HE LYS 83 1HE LYS 83 11.080 7.104 -11.068
647 1HZ LYS 83 1HZ LYS 83 9.359 6.560 -12.895
648 2HZ LYS 83 2HZ LYS 83 9.350 5.015 -12.210
649 3HZ LYS 83 3HZ LYS 83 10.790 5.661 -12.818
650 HA PRO 84 HA PRO 84 10.796 3.380 -2.658
651 1HB PRO 84 2HB PRO 84 8.340 4.917 -2.210
652 2HB PRO 84 1HB PRO 84 9.769 4.755 -1.182
653 1HG PRO 84 2HG PRO 84 9.276 7.032 -2.446
654 2HG PRO 84 1HG PRO 84 10.931 6.428 -2.317
655 1HD PRO 84 2HD PRO 84 9.022 6.187 -4.622
656 2HD PRO 84 1HD PRO 84 10.711 6.752 -4.618
657 H GLN 85 H GLN 85 9.230 1.836 -1.870
658 HA GLN 85 HA GLN 85 7.880 0.460 -3.935
659 1HB GLN 85 2HB GLN 85 8.003 0.179 -0.953
660 2HB GLN 85 1HB GLN 85 6.839 -0.767 -1.871
661 1HG GLN 85 2HG GLN 85 8.578 -1.831 -3.112
662 2HG GLN 85 1HG GLN 85 9.795 -0.759 -2.420
663 1HE2 GLN 85 1HE2 GLN 85 9.990 -3.527 -2.333
664 2HE2 GLN 85 2HE2 GLN 85 9.861 -4.045 -0.689
665 H ARG 86 H ARG 86 5.770 0.393 -4.532
666 HA ARG 86 HA ARG 86 3.823 1.966 -3.008
667 1HB ARG 86 2HB ARG 86 4.703 2.444 -5.818
668 2HB ARG 86 1HB ARG 86 3.007 2.690 -5.424
669 1HG ARG 86 2HG ARG 86 3.423 4.519 -4.149
670 2HG ARG 86 1HG ARG 86 5.008 3.940 -3.636
671 1HD ARG 86 2HD ARG 86 5.031 5.939 -5.159
672 2HD ARG 86 1HD ARG 86 5.999 4.571 -5.697
673 HE ARG 86 HE ARG 86 3.493 5.513 -6.876
674 1HH1 ARG 86 1HH1 ARG 86 6.155 3.244 -6.934
675 2HH1 ARG 86 2HH1 ARG 86 5.838 2.732 -8.555
676 1HH2 ARG 86 1HH2 ARG 86 3.085 4.832 -9.005
677 2HH2 ARG 86 2HH2 ARG 86 4.098 3.630 -9.730
678 H HIS 87 H HIS 87 2.108 0.726 -2.626
679 HA HIS 87 HA HIS 87 1.473 -1.426 -4.534
680 1HB HIS 87 2HB HIS 87 0.688 -1.247 -1.621
681 2HB HIS 87 1HB HIS 87 0.434 -2.618 -2.694
682 HD1 HIS 87 HD1 HIS 87 2.677 -3.855 -3.507
683 HD2 HIS 87 HD2 HIS 87 3.081 -1.240 -0.304
684 HE1 HIS 87 HE1 HIS 87 4.877 -4.438 -2.437
685 HE2 HIS 87 HE2 HIS 87 5.058 -2.901 -0.449
686 H MET 88 H MET 88 -0.801 -1.913 -4.881
687 HA MET 88 HA MET 88 -2.557 0.406 -4.425
688 1HB MET 88 2HB MET 88 -1.739 0.339 -6.761
689 2HB MET 88 1HB MET 88 -2.441 -1.263 -6.941
690 1HG MET 88 2HG MET 88 -4.661 -0.204 -6.342
691 2HG MET 88 1HG MET 88 -3.858 1.351 -6.556
692 1HE MET 88 1HE MET 88 -4.132 2.153 -10.009
693 2HE MET 88 2HE MET 88 -3.978 2.565 -8.300
694 3HE MET 88 3HE MET 88 -5.549 2.110 -8.960
695 H PHE 89 H PHE 89 -4.649 -0.000 -3.894
696 HA PHE 89 HA PHE 89 -5.722 -2.691 -4.055
697 1HB PHE 89 2HB PHE 89 -5.317 -1.277 -1.410
698 2HB PHE 89 1HB PHE 89 -6.329 -2.702 -1.628
699 HD1 PHE 89 HD1 PHE 89 -2.931 -1.435 -1.383
700 HD2 PHE 89 HD2 PHE 89 -5.326 -4.873 -2.129
701 HE1 PHE 89 HE1 PHE 89 -0.966 -2.875 -1.034
702 HE2 PHE 89 HE2 PHE 89 -3.366 -6.319 -1.779
703 HZ PHE 89 HZ PHE 89 -1.183 -5.320 -1.231
704 H SER 90 H SER 90 -7.820 -2.594 -4.572
705 HA SER 90 HA SER 90 -9.199 -0.024 -4.202
706 1HB SER 90 2HB SER 90 -9.113 -0.545 -6.514
707 2HB SER 90 1HB SER 90 -9.560 -2.228 -6.229
708 HG SER 90 HG SER 90 -11.199 -0.445 -6.926
709 H PHE 91 H PHE 91 -10.993 0.119 -2.999
710 HA PHE 91 HA PHE 91 -12.214 -2.384 -2.029
711 1HB PHE 91 2HB PHE 91 -12.051 0.191 -0.456
712 2HB PHE 91 1HB PHE 91 -12.584 -1.385 0.120
713 HD1 PHE 91 HD1 PHE 91 -9.587 0.251 -1.377
714 HD2 PHE 91 HD2 PHE 91 -11.109 -2.672 1.316
715 HE1 PHE 91 HE1 PHE 91 -7.299 -0.238 -0.618
716 HE2 PHE 91 HE2 PHE 91 -8.822 -3.165 2.080
717 HZ PHE 91 HZ PHE 91 -6.914 -1.947 1.112
718 H ASN 92 H ASN 92 -14.476 -1.895 -1.072
719 HA ASN 92 HA ASN 92 -15.857 0.077 -2.762
720 1HB ASN 92 2HB ASN 92 -16.883 -2.694 -2.126
721 2HB ASN 92 1HB ASN 92 -17.689 -1.477 -3.112
722 1HD2 ASN 92 1HD2 ASN 92 -16.498 -4.262 -3.559
723 2HD2 ASN 92 2HD2 ASN 92 -15.576 -4.075 -5.008
724 H ASN 93 H ASN 93 -14.960 0.092 0.067
725 HA ASN 93 HA ASN 93 -17.457 1.012 1.205
726 1HB ASN 93 2HB ASN 93 -15.857 -1.210 2.492
727 2HB ASN 93 1HB ASN 93 -17.134 -0.308 3.302
728 1HD2 ASN 93 1HD2 ASN 93 -16.617 -3.169 2.141
729 2HD2 ASN 93 2HD2 ASN 93 -18.138 -3.549 1.418
730 H ARG 94 H ARG 94 -17.019 2.934 2.048
731 HA ARG 94 HA ARG 94 -14.482 4.005 2.356
732 1HB ARG 94 2HB ARG 94 -17.119 4.775 3.586
733 2HB ARG 94 1HB ARG 94 -15.656 5.713 3.846
734 1HG ARG 94 2HG ARG 94 -16.410 6.859 2.068
735 2HG ARG 94 1HG ARG 94 -15.626 5.561 1.166
736 1HD ARG 94 2HD ARG 94 -17.692 4.404 0.889
737 2HD ARG 94 1HD ARG 94 -18.515 5.485 2.013
738 HE ARG 94 HE ARG 94 -17.440 6.939 -0.167
739 1HH1 ARG 94 1HH1 ARG 94 -20.053 4.784 0.672
740 2HH1 ARG 94 2HH1 ARG 94 -21.118 5.400 -0.545
741 1HH2 ARG 94 1HH2 ARG 94 -18.839 7.750 -1.770
742 2HH2 ARG 94 2HH2 ARG 94 -20.429 7.084 -1.932
743 H THR 95 H THR 95 -16.450 2.227 4.618
744 HA THR 95 HA THR 95 -14.879 2.759 6.906
745 HB THR 95 HB THR 95 -16.433 0.302 6.841
746 HG1 THR 95 HG1 THR 95 -18.153 1.058 5.958
747 1HG2 THR 95 1HG2 THR 95 -15.723 1.429 8.915
748 2HG2 THR 95 2HG2 THR 95 -17.467 1.182 8.804
749 3HG2 THR 95 3HG2 THR 95 -16.776 2.774 8.483
750 H VAL 96 H VAL 96 -15.253 -0.150 4.872
751 HA VAL 96 HA VAL 96 -13.219 -1.640 6.101
752 HB VAL 96 HB VAL 96 -14.102 -1.817 3.214
753 1HG1 VAL 96 1HG1 VAL 96 -12.712 -3.795 5.017
754 2HG1 VAL 96 2HG1 VAL 96 -12.044 -3.018 3.581
755 3HG1 VAL 96 3HG1 VAL 96 -13.367 -4.177 3.425
756 1HG2 VAL 96 1HG2 VAL 96 -16.094 -2.204 4.246
757 2HG2 VAL 96 2HG2 VAL 96 -15.339 -2.738 5.749
758 3HG2 VAL 96 3HG2 VAL 96 -15.409 -3.825 4.363
759 H MET 97 H MET 97 -13.176 0.597 3.377
760 HA MET 97 HA MET 97 -10.460 0.192 2.682
761 1HB MET 97 2HB MET 97 -12.378 1.311 1.331
762 2HB MET 97 1HB MET 97 -11.928 2.769 2.206
763 1HG MET 97 2HG MET 97 -9.538 1.681 1.220
764 2HG MET 97 1HG MET 97 -10.709 1.576 -0.093
765 1HE MET 97 1HE MET 97 -9.380 3.835 2.704
766 2HE MET 97 2HE MET 97 -11.009 4.505 2.632
767 3HE MET 97 3HE MET 97 -9.633 5.472 2.102
768 H ASP 98 H ASP 98 -12.115 2.387 4.893
769 HA ASP 98 HA ASP 98 -9.758 3.905 5.481
770 1HB ASP 98 2HB ASP 98 -12.519 3.781 6.655
771 2HB ASP 98 1HB ASP 98 -11.241 4.685 7.463
772 H ASN 99 H ASN 99 -11.314 1.093 6.794
773 HA ASN 99 HA ASN 99 -10.084 1.001 9.308
774 1HB ASN 99 2HB ASN 99 -11.017 -1.243 7.507
775 2HB ASN 99 1HB ASN 99 -10.489 -1.477 9.172
776 1HD2 ASN 99 1HD2 ASN 99 -13.062 -2.055 8.047
777 2HD2 ASN 99 2HD2 ASN 99 -14.215 -1.096 8.905
778 H ILE 100 H ILE 100 -9.029 -0.172 6.154
779 HA ILE 100 HA ILE 100 -6.672 -1.463 7.038
780 HB ILE 100 HB ILE 100 -7.160 -0.210 4.331
781 1HG1 ILE 100 2HG1 ILE 100 -8.980 -1.764 5.032
782 2HG1 ILE 100 1HG1 ILE 100 -8.087 -2.322 3.624
783 1HG2 ILE 100 1HG2 ILE 100 -4.929 -0.779 4.325
784 2HG2 ILE 100 2HG2 ILE 100 -5.674 -2.254 3.704
785 3HG2 ILE 100 3HG2 ILE 100 -5.170 -2.164 5.392
786 1HD1 ILE 100 1HD1 ILE 100 -6.743 -3.756 5.189
787 2HD1 ILE 100 2HD1 ILE 100 -8.440 -4.202 4.993
788 3HD1 ILE 100 3HD1 ILE 100 -7.912 -3.334 6.442
789 H LYS 101 H LYS 101 -7.207 1.736 5.582
790 HA LYS 101 HA LYS 101 -4.535 2.597 5.848
791 1HB LYS 101 2HB LYS 101 -5.259 4.667 5.062
792 2HB LYS 101 1HB LYS 101 -6.429 3.555 4.372
793 1HG LYS 101 2HG LYS 101 -8.040 4.794 5.232
794 2HG LYS 101 1HG LYS 101 -7.493 4.342 6.844
795 1HD LYS 101 2HD LYS 101 -5.953 6.243 6.853
796 2HD LYS 101 1HD LYS 101 -6.493 6.689 5.234
797 1HE LYS 101 2HE LYS 101 -8.637 7.276 5.994
798 2HE LYS 101 1HE LYS 101 -8.407 6.449 7.535
799 1HZ LYS 101 1HZ LYS 101 -8.228 8.801 7.862
800 2HZ LYS 101 2HZ LYS 101 -7.060 8.940 6.647
801 3HZ LYS 101 3HZ LYS 101 -6.696 8.116 8.078
802 H MET 102 H MET 102 -7.211 2.490 8.017
803 HA MET 102 HA MET 102 -6.128 4.353 9.918
804 1HB MET 102 2HB MET 102 -8.491 2.520 9.842
805 2HB MET 102 1HB MET 102 -7.956 3.159 11.391
806 1HG MET 102 2HG MET 102 -8.113 5.453 10.376
807 2HG MET 102 1HG MET 102 -8.908 4.700 8.996
808 1HE MET 102 1HE MET 102 -12.161 3.259 10.549
809 2HE MET 102 2HE MET 102 -10.651 2.355 10.661
810 3HE MET 102 3HE MET 102 -11.038 3.245 9.189
811 H THR 103 H THR 103 -6.281 0.836 9.558
812 HA THR 103 HA THR 103 -4.995 0.344 12.077
813 HB THR 103 HB THR 103 -6.313 -1.194 10.057
814 HG1 THR 103 HG1 THR 103 -5.391 -1.812 12.665
815 1HG2 THR 103 1HG2 THR 103 -4.961 -3.235 10.211
816 2HG2 THR 103 2HG2 THR 103 -3.674 -2.282 10.956
817 3HG2 THR 103 3HG2 THR 103 -4.176 -1.941 9.301
818 H LEU 104 H LEU 104 -3.984 0.517 8.707
819 HA LEU 104 HA LEU 104 -1.369 -0.439 9.048
820 1HB LEU 104 2HB LEU 104 -2.796 1.179 7.013
821 2HB LEU 104 1HB LEU 104 -1.045 1.276 7.006
822 HG LEU 104 HG LEU 104 -2.450 -1.377 6.953
823 1HD1 LEU 104 1HD1 LEU 104 -1.596 0.166 4.516
824 2HD1 LEU 104 2HD1 LEU 104 -3.261 0.102 5.095
825 3HD1 LEU 104 3HD1 LEU 104 -2.449 -1.376 4.580
826 1HD2 LEU 104 1HD2 LEU 104 0.300 -0.366 6.650
827 2HD2 LEU 104 2HD2 LEU 104 -0.184 -1.625 5.514
828 3HD2 LEU 104 3HD2 LEU 104 -0.282 -1.919 7.250
829 H GLN 105 H GLN 105 -2.758 2.786 9.405
830 HA GLN 105 HA GLN 105 -0.381 4.233 9.691
831 1HB GLN 105 2HB GLN 105 -3.166 4.730 9.982
832 2HB GLN 105 1HB GLN 105 -2.367 5.330 11.429
833 1HG GLN 105 2HG GLN 105 -1.774 6.094 8.582
834 2HG GLN 105 1HG GLN 105 -2.527 7.096 9.822
835 1HE2 GLN 105 1HE2 GLN 105 0.040 7.200 8.170
836 2HE2 GLN 105 2HE2 GLN 105 1.259 7.565 9.337
837 H GLN 106 H GLN 106 -2.160 2.242 11.907
838 HA GLN 106 HA GLN 106 -0.868 3.065 14.291
839 1HB GLN 106 2HB GLN 106 -2.194 0.432 13.606
840 2HB GLN 106 1HB GLN 106 -1.708 0.922 15.222
841 1HG GLN 106 2HG GLN 106 -3.244 2.869 15.020
842 2HG GLN 106 1HG GLN 106 -3.807 2.200 13.489
843 1HE2 GLN 106 1HE2 GLN 106 -4.246 -0.316 13.806
844 2HE2 GLN 106 2HE2 GLN 106 -5.318 -0.665 15.115
845 H ILE 107 H ILE 107 -0.090 0.820 11.746
846 HA ILE 107 HA ILE 107 1.990 -0.575 13.088
847 HB ILE 107 HB ILE 107 1.850 -0.159 10.109
848 1HG1 ILE 107 2HG1 ILE 107 -0.380 -0.797 10.679
849 2HG1 ILE 107 1HG1 ILE 107 0.424 -2.239 10.070
850 1HG2 ILE 107 1HG2 ILE 107 2.608 -2.656 10.336
851 2HG2 ILE 107 2HG2 ILE 107 3.097 -2.137 11.949
852 3HG2 ILE 107 3HG2 ILE 107 3.763 -1.338 10.525
853 1HD1 ILE 107 1HD1 ILE 107 0.176 -1.633 12.997
854 2HD1 ILE 107 2HD1 ILE 107 0.606 -3.161 12.227
855 3HD1 ILE 107 3HD1 ILE 107 -1.038 -2.536 12.090
856 H ILE 108 H ILE 108 2.082 1.949 10.591
857 HA ILE 108 HA ILE 108 4.803 2.425 10.522
858 HB ILE 108 HB ILE 108 2.921 4.756 10.459
859 1HG1 ILE 108 2HG1 ILE 108 3.296 3.128 7.982
860 2HG1 ILE 108 1HG1 ILE 108 2.077 2.633 9.147
861 1HG2 ILE 108 1HG2 ILE 108 4.413 5.602 8.786
862 2HG2 ILE 108 2HG2 ILE 108 5.275 4.063 8.714
863 3HG2 ILE 108 3HG2 ILE 108 5.362 5.055 10.169
864 1HD1 ILE 108 1HD1 ILE 108 1.290 5.081 9.011
865 2HD1 ILE 108 2HD1 ILE 108 0.883 3.966 7.705
866 3HD1 ILE 108 3HD1 ILE 108 2.208 5.113 7.505
867 H SER 109 H SER 109 2.425 4.253 12.325
868 HA SER 109 HA SER 109 4.120 5.777 13.887
869 1HB SER 109 2HB SER 109 1.448 4.647 14.747
870 2HB SER 109 1HB SER 109 2.252 6.057 15.437
871 HG SER 109 HG SER 109 1.621 7.225 13.794
872 H ARG 110 H ARG 110 3.252 2.431 14.205
873 HA ARG 110 HA ARG 110 4.101 2.061 16.880
874 1HB ARG 110 2HB ARG 110 3.067 0.435 14.764
875 2HB ARG 110 1HB ARG 110 4.491 -0.349 15.434
876 1HG ARG 110 2HG ARG 110 3.459 -0.078 17.699
877 2HG ARG 110 1HG ARG 110 1.990 0.466 16.887
878 1HD ARG 110 2HD ARG 110 1.992 -1.679 15.611
879 2HD ARG 110 1HD ARG 110 3.342 -2.215 16.611
880 HE ARG 110 HE ARG 110 0.580 -2.143 17.344
881 1HH1 ARG 110 1HH1 ARG 110 3.831 -1.914 18.594
882 2HH1 ARG 110 2HH1 ARG 110 3.391 -2.441 20.183
883 1HH2 ARG 110 1HH2 ARG 110 -0.000 -2.836 19.435
884 2HH2 ARG 110 2HH2 ARG 110 1.216 -2.965 20.661
885 H TYR 111 H TYR 111 5.687 1.797 13.776
886 HA TYR 111 HA TYR 111 8.201 0.985 14.964
887 1HB TYR 111 2HB TYR 111 7.378 1.608 12.125
888 2HB TYR 111 1HB TYR 111 9.032 1.201 12.578
889 HD1 TYR 111 HD1 TYR 111 9.536 -1.058 13.491
890 HD2 TYR 111 HD2 TYR 111 5.704 -0.075 11.928
891 HE1 TYR 111 HE1 TYR 111 8.998 -3.452 13.318
892 HE2 TYR 111 HE2 TYR 111 5.154 -2.464 11.754
893 HH TYR 111 HH TYR 111 6.307 -4.732 13.233
894 H LYS 112 H LYS 112 6.639 3.883 13.868
895 HA LYS 112 HA LYS 112 8.892 5.545 13.568
896 1HB LYS 112 2HB LYS 112 6.049 6.204 14.350
897 2HB LYS 112 1HB LYS 112 7.266 7.403 13.936
898 1HG LYS 112 2HG LYS 112 7.363 5.709 11.793
899 2HG LYS 112 1HG LYS 112 5.649 5.697 12.216
900 1HD LYS 112 2HD LYS 112 6.017 8.297 12.371
901 2HD LYS 112 1HD LYS 112 7.367 7.944 11.291
902 1HE LYS 112 2HE LYS 112 5.885 6.926 9.692
903 2HE LYS 112 1HE LYS 112 4.522 7.082 10.801
904 1HZ LYS 112 1HZ LYS 112 4.852 9.528 10.673
905 2HZ LYS 112 2HZ LYS 112 4.382 8.823 9.210
906 3HZ LYS 112 3HZ LYS 112 5.994 9.275 9.451
907 H ASP 113 H ASP 113 6.831 4.801 16.340
908 HA ASP 113 HA ASP 113 7.963 6.599 18.169
909 1HB ASP 113 2HB ASP 113 6.477 3.999 18.484
910 2HB ASP 113 1HB ASP 113 7.095 4.872 19.886
911 H ALA 114 H ALA 114 8.887 3.342 17.215
912 HA ALA 114 HA ALA 114 10.775 2.848 19.236
913 1HB ALA 114 1HB ALA 114 10.362 0.914 18.137
914 2HB ALA 114 2HB ALA 114 11.778 1.407 17.209
915 3HB ALA 114 3HB ALA 114 10.160 1.714 16.579
916 H ASP 115 H ASP 115 10.984 4.603 16.208
917 HA ASP 115 HA ASP 115 13.840 5.098 16.684
918 1HB ASP 115 2HB ASP 115 13.192 4.215 14.453
919 2HB ASP 115 1HB ASP 115 12.208 5.652 14.196
920 H LEU 45 1H LEU 45 -3.353 4.439 -16.409
921 HA LEU 45 HA LEU 45 -2.832 2.794 -18.207
922 1HB LEU 45 2HB LEU 45 -3.617 4.293 -20.012
923 2HB LEU 45 1HB LEU 45 -2.309 5.401 -19.642
924 HG LEU 45 HG LEU 45 -0.719 3.489 -20.181
925 1HD1 LEU 45 1HD1 LEU 45 -2.266 1.646 -20.038
926 2HD1 LEU 45 2HD1 LEU 45 -1.633 1.757 -21.681
927 3HD1 LEU 45 3HD1 LEU 45 -3.258 2.337 -21.321
928 1HD2 LEU 45 1HD2 LEU 45 -1.362 3.751 -22.741
929 2HD2 LEU 45 2HD2 LEU 45 -0.663 5.077 -21.811
930 3HD2 LEU 45 3HD2 LEU 45 -2.403 5.015 -22.087
931 H SER 46 H SER 46 -1.631 5.817 -16.933
932 HA SER 46 HA SER 46 0.987 4.537 -16.498
933 1HB SER 46 2HB SER 46 0.307 7.235 -17.537
934 2HB SER 46 1HB SER 46 1.659 7.140 -16.411
935 HG SER 46 HG SER 46 2.679 5.709 -17.784
936 HA PRO 47 HA PRO 47 0.784 5.229 -12.162
937 1HB PRO 47 2HB PRO 47 3.033 6.800 -11.699
938 2HB PRO 47 1HB PRO 47 3.008 5.037 -11.765
939 1HG PRO 47 2HG PRO 47 3.786 7.007 -13.866
940 2HG PRO 47 1HG PRO 47 4.488 5.420 -13.496
941 1HD PRO 47 2HD PRO 47 2.869 5.777 -15.603
942 2HD PRO 47 1HD PRO 47 2.826 4.280 -14.647
943 H ASP 48 H ASP 48 1.679 8.143 -13.984
944 HA ASP 48 HA ASP 48 0.964 10.066 -12.113
945 1HB ASP 48 2HB ASP 48 0.830 10.147 -15.132
946 2HB ASP 48 1HB ASP 48 0.592 11.560 -14.107
947 H ASP 49 H ASP 49 -1.021 7.969 -13.981
948 HA ASP 49 HA ASP 49 -3.403 9.489 -13.995
949 1HB ASP 49 2HB ASP 49 -2.812 7.378 -15.359
950 2HB ASP 49 1HB ASP 49 -3.337 6.483 -13.937
951 H ILE 50 H ILE 50 -2.105 7.066 -11.776
952 HA ILE 50 HA ILE 50 -4.368 7.035 -10.057
953 HB ILE 50 HB ILE 50 -1.556 6.258 -9.310
954 1HG1 ILE 50 2HG1 ILE 50 -2.094 5.119 -11.379
955 2HG1 ILE 50 1HG1 ILE 50 -2.195 3.966 -10.052
956 1HG2 ILE 50 1HG2 ILE 50 -3.805 6.383 -7.770
957 2HG2 ILE 50 2HG2 ILE 50 -2.415 5.345 -7.457
958 3HG2 ILE 50 3HG2 ILE 50 -3.818 4.703 -8.307
959 1HD1 ILE 50 1HD1 ILE 50 -4.030 3.574 -11.502
960 2HD1 ILE 50 2HD1 ILE 50 -4.468 5.282 -11.510
961 3HD1 ILE 50 3HD1 ILE 50 -4.665 4.327 -10.040
962 H GLU 51 H GLU 51 -1.615 9.084 -10.356
963 HA GLU 51 HA GLU 51 -1.472 10.106 -7.741
964 1HB GLU 51 2HB GLU 51 -0.783 11.404 -10.383
965 2HB GLU 51 1HB GLU 51 -0.359 12.068 -8.811
966 1HG GLU 51 2HG GLU 51 0.960 10.048 -8.337
967 2HG GLU 51 1HG GLU 51 0.573 9.441 -9.946
968 H GLN 52 H GLN 52 -3.437 11.014 -10.521
969 HA GLN 52 HA GLN 52 -4.503 13.393 -9.465
970 1HB GLN 52 2HB GLN 52 -5.344 13.484 -11.530
971 2HB GLN 52 1HB GLN 52 -4.806 11.838 -11.817
972 1HG GLN 52 2HG GLN 52 -6.944 11.014 -10.904
973 2HG GLN 52 1HG GLN 52 -7.479 12.685 -10.719
974 1HE2 GLN 52 1HE2 GLN 52 -6.911 10.085 -12.909
975 2HE2 GLN 52 2HE2 GLN 52 -7.587 10.834 -14.312
976 H TRP 53 H TRP 53 -5.392 10.032 -9.070
977 HA TRP 53 HA TRP 53 -7.945 10.343 -7.981
978 1HB TRP 53 2HB TRP 53 -5.830 8.231 -7.582
979 2HB TRP 53 1HB TRP 53 -7.421 8.121 -6.838
980 HD1 TRP 53 HD1 TRP 53 -6.481 9.115 -10.472
981 HE1 TRP 53 HE1 TRP 53 -7.792 7.583 -12.073
982 HE3 TRP 53 HE3 TRP 53 -8.796 6.132 -7.025
983 HZ2 TRP 53 HZ2 TRP 53 -9.572 5.399 -11.896
984 HZ3 TRP 53 HZ3 TRP 53 -10.286 4.345 -7.824
985 HH2 TRP 53 HH2 TRP 53 -10.666 3.987 -10.209
986 H PHE 54 H PHE 54 -4.768 10.639 -6.517
987 HA PHE 54 HA PHE 54 -6.025 11.158 -3.913
988 1HB PHE 54 2HB PHE 54 -3.102 10.664 -4.500
989 2HB PHE 54 1HB PHE 54 -3.867 10.732 -2.915
990 HD1 PHE 54 HD1 PHE 54 -2.659 8.596 -5.376
991 HD2 PHE 54 HD2 PHE 54 -5.896 9.026 -2.646
992 HE1 PHE 54 HE1 PHE 54 -3.057 6.170 -5.470
993 HE2 PHE 54 HE2 PHE 54 -6.299 6.600 -2.734
994 HZ PHE 54 HZ PHE 54 -4.878 5.169 -4.148
995 H THR 55 H THR 55 -4.929 12.840 -6.549
996 HA THR 55 HA THR 55 -3.739 15.022 -5.047
997 HB THR 55 HB THR 55 -3.744 14.139 -7.812
998 HG1 THR 55 HG1 THR 55 -1.710 14.563 -7.546
999 1HG2 THR 55 1HG2 THR 55 -4.112 17.050 -7.240
1000 2HG2 THR 55 2HG2 THR 55 -4.913 16.051 -8.452
1001 3HG2 THR 55 3HG2 THR 55 -3.213 16.481 -8.647
1002 H GLU 56 H GLU 56 -6.719 14.178 -6.633
1003 HA GLU 56 HA GLU 56 -7.781 16.857 -6.564
1004 1HB GLU 56 2HB GLU 56 -9.138 14.211 -7.114
1005 2HB GLU 56 1HB GLU 56 -9.875 15.792 -7.331
1006 1HG GLU 56 2HG GLU 56 -8.171 16.335 -9.013
1007 2HG GLU 56 1HG GLU 56 -7.488 14.722 -8.819
1008 H ASP 57 H ASP 57 -9.341 17.664 -5.184
1009 HA ASP 57 HA ASP 57 -10.411 17.991 -3.206
1010 1HB ASP 57 2HB ASP 57 -11.056 15.302 -4.047
1011 2HB ASP 57 1HB ASP 57 -11.030 15.406 -2.289
1012 HA PRO 58 HA PRO 58 -7.916 17.579 0.398
1013 1HB PRO 58 2HB PRO 58 -9.943 15.848 1.733
1014 2HB PRO 58 1HB PRO 58 -9.173 17.330 2.311
1015 1HG PRO 58 2HG PRO 58 -11.686 17.362 1.437
1016 2HG PRO 58 1HG PRO 58 -10.579 18.700 1.075
1017 1HD PRO 58 2HD PRO 58 -11.537 16.496 -0.695
1018 2HD PRO 58 1HD PRO 58 -11.184 18.190 -1.090
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