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 |
|
|
477459 |
2l0c   |
17038 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 1H MET 1 -2.988 -20.836 -11.823
2 H2 MET 1 2H MET 1 -1.804 -19.827 -12.503
3 H3 MET 1 3H MET 1 -3.117 -19.151 -11.671
4 HA MET 1 HA MET 1 -2.366 -20.145 -9.612
5 HB2 MET 1 1HB MET 1 0.011 -21.008 -11.280
6 HB3 MET 1 2HB MET 1 -0.093 -21.124 -9.530
7 HG2 MET 1 1HG MET 1 -2.000 -22.660 -9.773
8 HG3 MET 1 2HG MET 1 -1.808 -22.584 -11.523
9 HE1 MET 1 3HE MET 1 1.823 -24.132 -11.907
10 HE2 MET 1 1HE MET 1 1.437 -22.430 -11.651
11 HE3 MET 1 2HE MET 1 0.472 -23.395 -12.769
12 H ALA 2 H ALA 2 -1.302 -18.765 -8.257
13 HA ALA 2 HA ALA 2 0.558 -16.826 -9.390
14 HB1 ALA 2 3HB ALA 2 -0.670 -14.905 -8.521
15 HB2 ALA 2 1HB ALA 2 -1.971 -15.969 -7.984
16 HB3 ALA 2 2HB ALA 2 -1.634 -15.787 -9.705
17 HA PRO 3 HA PRO 3 2.154 -17.794 -5.267
18 HB2 PRO 3 1HB PRO 3 4.555 -16.454 -6.250
19 HB3 PRO 3 2HB PRO 3 4.351 -18.131 -5.736
20 HG2 PRO 3 1HG PRO 3 4.776 -17.436 -8.321
21 HG3 PRO 3 2HG PRO 3 3.819 -18.853 -7.852
22 HD2 PRO 3 1HD PRO 3 2.892 -16.145 -8.739
23 HD3 PRO 3 2HD PRO 3 2.253 -17.750 -9.158
24 H LEU 4 H LEU 4 2.879 -16.429 -3.523
25 HA LEU 4 HA LEU 4 1.780 -13.772 -3.701
26 HB2 LEU 4 1HB LEU 4 1.657 -15.306 -1.675
27 HB3 LEU 4 2HB LEU 4 3.346 -14.923 -1.403
28 HG LEU 4 HG LEU 4 2.774 -12.551 -1.147
29 HD11 LEU 4 1HD1 LEU 4 0.435 -11.870 -0.992
30 HD12 LEU 4 2HD1 LEU 4 -0.073 -13.497 -1.442
31 HD13 LEU 4 3HD1 LEU 4 0.811 -12.499 -2.596
32 HD21 LEU 4 3HD2 LEU 4 1.154 -14.404 0.596
33 HD22 LEU 4 1HD2 LEU 4 1.621 -12.752 1.000
34 HD23 LEU 4 2HD2 LEU 4 2.856 -13.997 0.815
35 H GLN 5 H GLN 5 2.943 -12.366 -4.859
36 HA GLN 5 HA GLN 5 5.824 -12.394 -4.818
37 HB2 GLN 5 1HB GLN 5 3.907 -10.400 -6.054
38 HB3 GLN 5 2HB GLN 5 5.636 -10.497 -6.366
39 HG2 GLN 5 1HG GLN 5 5.391 -12.630 -7.421
40 HG3 GLN 5 2HG GLN 5 3.693 -12.714 -6.960
41 HE21 GLN 5 2HE2 GLN 5 4.959 -12.851 -9.589
42 HE22 GLN 5 1HE2 GLN 5 4.226 -11.588 -10.526
43 H GLN 6 H GLN 6 6.882 -11.593 -3.160
44 HA GLN 6 HA GLN 6 5.730 -9.304 -1.723
45 HB2 GLN 6 1HB GLN 6 7.382 -11.610 -0.701
46 HB3 GLN 6 2HB GLN 6 7.093 -10.150 0.235
47 HG2 GLN 6 1HG GLN 6 4.691 -10.570 0.153
48 HG3 GLN 6 2HG GLN 6 4.979 -12.035 -0.785
49 HE21 GLN 6 2HE2 GLN 6 3.743 -11.610 1.865
50 HE22 GLN 6 1HE2 GLN 6 4.625 -12.637 2.946
51 H LYS 7 H LYS 7 6.815 -7.496 -1.885
52 HA LYS 7 HA LYS 7 9.733 -7.574 -1.857
53 HB2 LYS 7 1HB LYS 7 8.842 -7.344 -4.260
54 HB3 LYS 7 2HB LYS 7 8.284 -5.748 -3.770
55 HG2 LYS 7 1HG LYS 7 10.605 -5.173 -3.147
56 HG3 LYS 7 2HG LYS 7 11.125 -6.740 -3.770
57 HD2 LYS 7 1HD LYS 7 10.077 -6.066 -5.969
58 HD3 LYS 7 2HD LYS 7 9.918 -4.443 -5.293
59 HE2 LYS 7 1HE LYS 7 11.938 -4.543 -6.588
60 HE3 LYS 7 2HE LYS 7 12.360 -4.429 -4.879
61 HZ1 LYS 7 3HZ LYS 7 13.742 -6.066 -5.917
62 HZ2 LYS 7 1HZ LYS 7 12.396 -6.877 -6.557
63 HZ3 LYS 7 2HZ LYS 7 12.660 -6.868 -4.886
64 H GLN 8 H GLN 8 10.658 -5.664 -0.993
65 HA GLN 8 HA GLN 8 8.941 -4.354 0.893
66 HB2 GLN 8 1HB GLN 8 11.858 -3.844 0.279
67 HB3 GLN 8 2HB GLN 8 10.977 -3.245 1.678
68 HG2 GLN 8 1HG GLN 8 11.966 -5.039 2.632
69 HG3 GLN 8 2HG GLN 8 10.509 -5.823 2.030
70 HE21 GLN 8 2HE2 GLN 8 13.035 -7.028 2.625
71 HE22 GLN 8 1HE2 GLN 8 13.625 -7.731 1.160
72 H VAL 9 H VAL 9 8.019 -2.434 0.752
73 HA VAL 9 HA VAL 9 8.791 -0.645 -1.456
74 HB VAL 9 HB VAL 9 6.399 -0.071 -1.778
75 HG11 VAL 9 1HG1 VAL 9 7.460 -1.648 -3.290
76 HG12 VAL 9 2HG1 VAL 9 5.779 -2.102 -3.014
77 HG13 VAL 9 3HG1 VAL 9 7.073 -2.981 -2.201
78 HG21 VAL 9 3HG2 VAL 9 5.543 -0.741 0.396
79 HG22 VAL 9 1HG2 VAL 9 5.899 -2.430 0.034
80 HG23 VAL 9 2HG2 VAL 9 4.669 -1.570 -0.893
81 H VAL 10 H VAL 10 7.767 1.552 -1.155
82 HA VAL 10 HA VAL 10 7.848 2.314 1.690
83 HB VAL 10 HB VAL 10 8.320 4.034 -0.756
84 HG11 VAL 10 1HG1 VAL 10 8.557 4.719 2.173
85 HG12 VAL 10 2HG1 VAL 10 7.320 5.309 1.063
86 HG13 VAL 10 3HG1 VAL 10 9.007 5.770 0.830
87 HG21 VAL 10 3HG2 VAL 10 10.152 2.483 -0.367
88 HG22 VAL 10 1HG2 VAL 10 10.260 3.014 1.312
89 HG23 VAL 10 2HG2 VAL 10 10.642 4.136 0.006
90 H VAL 11 H VAL 11 5.920 2.793 2.568
91 HA VAL 11 HA VAL 11 3.644 3.568 1.001
92 HB VAL 11 HB VAL 11 4.043 3.891 3.985
93 HG11 VAL 11 1HG1 VAL 11 1.529 3.752 2.322
94 HG12 VAL 11 2HG1 VAL 11 2.190 5.198 3.086
95 HG13 VAL 11 3HG1 VAL 11 1.599 3.867 4.081
96 HG21 VAL 11 3HG2 VAL 11 4.394 1.572 3.353
97 HG22 VAL 11 1HG2 VAL 11 2.876 1.568 2.455
98 HG23 VAL 11 2HG2 VAL 11 2.863 1.750 4.210
99 H SER 12 H SER 12 4.031 5.392 -0.146
100 HA SER 12 HA SER 12 5.732 7.441 0.937
101 HB2 SER 12 1HB SER 12 5.301 8.466 -1.376
102 HB3 SER 12 2HB SER 12 6.142 6.915 -1.319
103 HG SER 12 HG SER 12 4.299 7.174 -2.860
104 H ASN 13 H ASN 13 2.401 7.456 -0.385
105 HA ASN 13 HA ASN 13 1.716 9.638 1.398
106 HB2 ASN 13 1HB ASN 13 2.885 10.727 -0.524
107 HB3 ASN 13 2HB ASN 13 1.663 10.061 -1.600
108 HD21 ASN 13 2HD2 ASN 13 0.842 11.967 -2.294
109 HD22 ASN 13 1HD2 ASN 13 -0.016 13.072 -1.266
110 H LYS 14 H LYS 14 -0.516 10.084 1.477
111 HA LYS 14 HA LYS 14 -2.245 7.975 0.498
112 HB2 LYS 14 1HB LYS 14 -4.015 9.169 1.742
113 HB3 LYS 14 2HB LYS 14 -2.618 8.834 2.756
114 HG2 LYS 14 1HG LYS 14 -1.865 11.122 2.536
115 HG3 LYS 14 2HG LYS 14 -3.195 11.477 1.432
116 HD2 LYS 14 1HD LYS 14 -4.806 11.040 3.200
117 HD3 LYS 14 2HD LYS 14 -3.501 10.599 4.304
118 HE2 LYS 14 1HE LYS 14 -2.593 12.871 4.121
119 HE3 LYS 14 2HE LYS 14 -3.915 13.307 3.039
120 HZ1 LYS 14 3HZ LYS 14 -4.298 12.348 5.821
121 HZ2 LYS 14 1HZ LYS 14 -5.483 12.981 4.784
122 HZ3 LYS 14 2HZ LYS 14 -4.250 13.985 5.384
123 H ARG 15 H ARG 15 -3.953 8.298 -0.970
124 HA ARG 15 HA ARG 15 -3.913 10.830 -2.454
125 HB2 ARG 15 1HB ARG 15 -2.477 8.781 -3.399
126 HB3 ARG 15 2HB ARG 15 -4.046 8.306 -4.034
127 HG2 ARG 15 1HG ARG 15 -4.237 10.365 -5.253
128 HG3 ARG 15 2HG ARG 15 -2.761 10.986 -4.511
129 HD2 ARG 15 1HD ARG 15 -3.016 8.672 -6.426
130 HD3 ARG 15 2HD ARG 15 -2.233 10.225 -6.720
131 HE ARG 15 HE ARG 15 -1.212 8.349 -4.689
132 HH11 ARG 15 1HH1 ARG 15 -0.715 10.351 -7.520
133 HH12 ARG 15 2HH1 ARG 15 1.007 10.098 -7.548
134 HH21 ARG 15 1HH2 ARG 15 1.024 8.007 -4.722
135 HH22 ARG 15 2HH2 ARG 15 2.009 8.743 -5.959
136 H GLU 16 H GLU 16 -5.823 11.062 -3.872
137 HA GLU 16 HA GLU 16 -8.025 9.232 -3.320
138 HB2 GLU 16 1HB GLU 16 -8.158 10.995 -1.572
139 HB3 GLU 16 2HB GLU 16 -8.269 12.209 -2.840
140 HG2 GLU 16 1HG GLU 16 -10.338 11.049 -3.645
141 HG3 GLU 16 2HG GLU 16 -10.255 10.043 -2.201
142 H LYS 17 H LYS 17 -8.188 8.623 -5.419
143 HA LYS 17 HA LYS 17 -8.770 10.733 -7.384
144 HB2 LYS 17 1HB LYS 17 -8.160 7.791 -7.742
145 HB3 LYS 17 2HB LYS 17 -8.579 8.881 -9.057
146 HG2 LYS 17 1HG LYS 17 -6.182 9.168 -7.255
147 HG3 LYS 17 2HG LYS 17 -6.165 8.505 -8.890
148 HD2 LYS 17 1HD LYS 17 -6.977 10.645 -9.764
149 HD3 LYS 17 2HD LYS 17 -6.992 11.305 -8.128
150 HE2 LYS 17 1HE LYS 17 -4.590 11.027 -7.964
151 HE3 LYS 17 2HE LYS 17 -4.547 10.268 -9.555
152 HZ1 LYS 17 3HZ LYS 17 -5.347 12.339 -10.520
153 HZ2 LYS 17 1HZ LYS 17 -3.893 12.577 -9.684
154 HZ3 LYS 17 2HZ LYS 17 -5.356 13.073 -8.989
155 HA PRO 18 HA PRO 18 -13.113 10.127 -6.852
156 HB2 PRO 18 1HB PRO 18 -13.189 10.810 -9.748
157 HB3 PRO 18 2HB PRO 18 -14.073 11.528 -8.397
158 HG2 PRO 18 1HG PRO 18 -12.018 12.807 -9.494
159 HG3 PRO 18 2HG PRO 18 -12.270 12.833 -7.738
160 HD2 PRO 18 1HD PRO 18 -10.302 11.265 -9.349
161 HD3 PRO 18 2HD PRO 18 -10.107 12.030 -7.759
162 H VAL 19 H VAL 19 -14.721 8.644 -7.356
163 HA VAL 19 HA VAL 19 -13.829 6.386 -9.032
164 HB VAL 19 HB VAL 19 -15.590 6.141 -6.590
165 HG11 VAL 19 1HG1 VAL 19 -15.745 4.298 -8.169
166 HG12 VAL 19 2HG1 VAL 19 -14.949 3.780 -6.682
167 HG13 VAL 19 3HG1 VAL 19 -13.992 4.099 -8.130
168 HG21 VAL 19 3HG2 VAL 19 -12.602 5.762 -6.740
169 HG22 VAL 19 1HG2 VAL 19 -13.622 5.365 -5.357
170 HG23 VAL 19 2HG2 VAL 19 -13.448 7.043 -5.872
171 H ASN 20 H ASN 20 -15.422 5.233 -10.168
172 HA ASN 20 HA ASN 20 -18.172 6.268 -10.106
173 HB2 ASN 20 1HB ASN 20 -16.859 7.087 -12.146
174 HB3 ASN 20 2HB ASN 20 -16.776 5.406 -12.655
175 HD21 ASN 20 2HD2 ASN 20 -17.982 7.599 -14.042
176 HD22 ASN 20 1HD2 ASN 20 -19.660 7.225 -14.218
177 H ASP 21 H ASP 21 -19.725 4.633 -10.189
178 HA ASP 21 HA ASP 21 -18.736 2.013 -9.540
179 HB2 ASP 21 1HB ASP 21 -20.782 3.087 -8.485
180 HB3 ASP 21 2HB ASP 21 -21.625 2.767 -9.997
181 H ARG 22 H ARG 22 -19.328 0.072 -10.627
182 HA ARG 22 HA ARG 22 -18.809 0.257 -13.420
183 HB2 ARG 22 1HB ARG 22 -19.573 -2.149 -11.760
184 HB3 ARG 22 2HB ARG 22 -18.860 -2.184 -13.368
185 HG2 ARG 22 1HG ARG 22 -16.806 -1.288 -12.560
186 HG3 ARG 22 2HG ARG 22 -17.511 -0.961 -10.976
187 HD2 ARG 22 1HD ARG 22 -17.095 -3.679 -12.212
188 HD3 ARG 22 2HD ARG 22 -16.125 -2.965 -10.924
189 HE ARG 22 HE ARG 22 -18.761 -2.949 -10.042
190 HH11 ARG 22 1HH1 ARG 22 -16.328 -5.302 -10.926
191 HH12 ARG 22 2HH1 ARG 22 -16.948 -6.542 -9.886
192 HH21 ARG 22 1HH2 ARG 22 -19.607 -4.582 -8.686
193 HH22 ARG 22 2HH2 ARG 22 -18.828 -6.136 -8.614
194 H ARG 23 H ARG 23 -21.695 0.032 -11.521
195 HA ARG 23 HA ARG 23 -23.368 -1.201 -13.465
196 HB2 ARG 23 1HB ARG 23 -24.150 0.666 -11.221
197 HB3 ARG 23 2HB ARG 23 -25.240 -0.383 -12.115
198 HG2 ARG 23 1HG ARG 23 -24.001 -2.339 -11.258
199 HG3 ARG 23 2HG ARG 23 -23.004 -1.247 -10.295
200 HD2 ARG 23 1HD ARG 23 -25.968 -1.730 -10.061
201 HD3 ARG 23 2HD ARG 23 -24.720 -2.107 -8.875
202 HE ARG 23 HE ARG 23 -25.663 0.602 -9.576
203 HH11 ARG 23 1HH1 ARG 23 -24.038 -1.594 -7.376
204 HH12 ARG 23 2HH1 ARG 23 -23.932 -0.434 -6.091
205 HH21 ARG 23 1HH2 ARG 23 -25.546 2.124 -7.882
206 HH22 ARG 23 2HH2 ARG 23 -24.802 1.679 -6.373
207 H SER 24 H SER 24 -22.093 1.958 -13.158
208 HA SER 24 HA SER 24 -24.092 3.434 -14.486
209 HB2 SER 24 1HB SER 24 -21.115 3.978 -14.424
210 HB3 SER 24 2HB SER 24 -22.391 5.149 -14.757
211 HG SER 24 HG SER 24 -21.382 4.742 -12.466
212 H ARG 25 H ARG 25 -21.439 1.455 -15.634
213 HA ARG 25 HA ARG 25 -20.727 0.816 -17.705
214 HB2 ARG 25 1HB ARG 25 -23.190 0.073 -17.665
215 HB3 ARG 25 2HB ARG 25 -23.503 1.466 -18.689
216 HG2 ARG 25 1HG ARG 25 -21.783 0.536 -20.281
217 HG3 ARG 25 2HG ARG 25 -21.803 -0.935 -19.305
218 HD2 ARG 25 1HD ARG 25 -24.091 0.296 -20.828
219 HD3 ARG 25 2HD ARG 25 -23.294 -1.243 -21.148
220 HE ARG 25 HE ARG 25 -24.674 -0.873 -18.586
221 HH11 ARG 25 1HH1 ARG 25 -24.509 -2.411 -21.736
222 HH12 ARG 25 2HH1 ARG 25 -25.744 -3.580 -21.359
223 HH21 ARG 25 1HH2 ARG 25 -26.274 -2.394 -18.094
224 HH22 ARG 25 2HH2 ARG 25 -26.744 -3.575 -19.281
225 H GLN 26 H GLN 26 -20.257 3.503 -17.022
226 HA GLN 26 HA GLN 26 -21.134 5.287 -19.045
227 HB2 GLN 26 1HB GLN 26 -19.113 5.475 -16.838
228 HB3 GLN 26 2HB GLN 26 -19.253 6.753 -18.039
229 HG2 GLN 26 1HG GLN 26 -21.465 5.769 -16.249
230 HG3 GLN 26 2HG GLN 26 -20.541 7.257 -16.036
231 HE21 GLN 26 2HE2 GLN 26 -23.416 6.824 -16.460
232 HE22 GLN 26 1HE2 GLN 26 -23.838 7.750 -17.860
233 H GLN 27 H GLN 27 -20.191 6.022 -20.821
234 HA GLN 27 HA GLN 27 -17.830 4.627 -21.825
235 HB2 GLN 27 1HB GLN 27 -19.678 6.598 -23.197
236 HB3 GLN 27 2HB GLN 27 -18.417 5.652 -23.976
237 HG2 GLN 27 1HG GLN 27 -19.591 3.612 -23.545
238 HG3 GLN 27 2HG GLN 27 -20.788 4.456 -22.565
239 HE21 GLN 27 2HE2 GLN 27 -21.146 2.801 -24.933
240 HE22 GLN 27 1HE2 GLN 27 -21.953 3.800 -26.098
241 H GLU 28 H GLU 28 -18.178 6.925 -19.789
242 HA GLU 28 HA GLU 28 -15.894 8.494 -20.681
243 HB2 GLU 28 1HB GLU 28 -17.972 9.724 -21.357
244 HB3 GLU 28 2HB GLU 28 -18.468 9.741 -19.672
245 HG2 GLU 28 1HG GLU 28 -16.502 11.076 -19.107
246 HG3 GLU 28 2HG GLU 28 -16.011 11.062 -20.800
247 H VAL 29 H VAL 29 -15.081 9.828 -18.748
248 HA VAL 29 HA VAL 29 -14.765 8.131 -16.519
249 HB VAL 29 HB VAL 29 -14.199 11.096 -16.644
250 HG11 VAL 29 1HG1 VAL 29 -14.168 10.214 -14.377
251 HG12 VAL 29 2HG1 VAL 29 -12.535 10.618 -14.909
252 HG13 VAL 29 3HG1 VAL 29 -13.059 8.935 -14.875
253 HG21 VAL 29 3HG2 VAL 29 -11.917 10.457 -17.283
254 HG22 VAL 29 1HG2 VAL 29 -13.102 9.949 -18.486
255 HG23 VAL 29 2HG2 VAL 29 -12.420 8.769 -17.367
256 H SER 30 H SER 30 -15.979 11.441 -16.312
257 HA SER 30 HA SER 30 -17.484 12.435 -14.949
258 HB2 SER 30 1HB SER 30 -19.071 9.991 -15.750
259 HB3 SER 30 2HB SER 30 -19.758 11.431 -14.996
260 HG SER 30 HG SER 30 -19.559 11.115 -17.500
261 HA PRO 31 HA PRO 31 -16.245 10.070 -11.190
262 HB2 PRO 31 1HB PRO 31 -15.811 12.385 -9.766
263 HB3 PRO 31 2HB PRO 31 -14.577 11.547 -10.712
264 HG2 PRO 31 1HG PRO 31 -16.231 13.930 -11.435
265 HG3 PRO 31 2HG PRO 31 -14.514 13.615 -11.754
266 HD2 PRO 31 1HD PRO 31 -16.385 13.319 -13.657
267 HD3 PRO 31 2HD PRO 31 -14.972 12.246 -13.562
268 H ALA 32 H ALA 32 -17.598 9.504 -9.578
269 HA ALA 32 HA ALA 32 -20.153 10.861 -9.365
270 HB1 ALA 32 3HB ALA 32 -20.072 8.413 -9.419
271 HB2 ALA 32 1HB ALA 32 -20.789 9.002 -7.919
272 HB3 ALA 32 2HB ALA 32 -19.127 8.411 -7.929
273 H GLY 33 H GLY 33 -18.542 12.718 -8.599
274 HA2 GLY 33 1HA GLY 33 -18.200 14.207 -6.872
275 HA3 GLY 33 2HA GLY 33 -19.095 13.120 -5.819
276 H THR 34 H THR 34 -18.004 11.973 -4.358
277 HA THR 34 HA THR 34 -15.171 11.437 -4.723
278 HB THR 34 HB THR 34 -15.255 13.646 -3.584
279 HG1 THR 34 HG1 THR 34 -13.453 12.757 -2.857
280 HG21 THR 34 3HG2 THR 34 -17.373 13.374 -2.396
281 HG22 THR 34 1HG2 THR 34 -16.074 13.784 -1.276
282 HG23 THR 34 2HG2 THR 34 -16.655 12.122 -1.382
283 H SER 35 H SER 35 -14.500 10.338 -2.387
284 HA SER 35 HA SER 35 -16.594 8.556 -1.476
285 HB2 SER 35 1HB SER 35 -15.572 7.604 -3.642
286 HB3 SER 35 2HB SER 35 -14.113 7.335 -2.689
287 HG SER 35 HG SER 35 -16.667 6.165 -2.437
288 H MET 36 H MET 36 -15.791 7.161 0.321
289 HA MET 36 HA MET 36 -13.724 8.576 1.831
290 HB2 MET 36 1HB MET 36 -15.684 6.452 2.718
291 HB3 MET 36 2HB MET 36 -14.507 7.230 3.764
292 HG2 MET 36 1HG MET 36 -15.612 9.415 3.196
293 HG3 MET 36 2HG MET 36 -16.887 8.474 2.422
294 HE1 MET 36 3HE MET 36 -18.171 6.459 3.816
295 HE2 MET 36 1HE MET 36 -18.023 6.273 5.564
296 HE3 MET 36 2HE MET 36 -16.652 5.902 4.518
297 H ARG 37 H ARG 37 -13.553 6.342 -0.388
298 HA ARG 37 HA ARG 37 -11.907 4.417 1.031
299 HB2 ARG 37 1HB ARG 37 -12.703 4.669 -1.868
300 HB3 ARG 37 2HB ARG 37 -11.507 3.505 -1.324
301 HG2 ARG 37 1HG ARG 37 -13.536 2.330 -1.486
302 HG3 ARG 37 2HG ARG 37 -13.274 2.600 0.236
303 HD2 ARG 37 1HD ARG 37 -14.849 4.421 0.239
304 HD3 ARG 37 2HD ARG 37 -15.022 4.324 -1.512
305 HE ARG 37 HE ARG 37 -15.914 2.204 0.345
306 HH11 ARG 37 1HH1 ARG 37 -16.346 4.150 -2.535
307 HH12 ARG 37 2HH1 ARG 37 -17.812 3.346 -3.013
308 HH21 ARG 37 1HH2 ARG 37 -17.843 1.157 -0.275
309 HH22 ARG 37 2HH2 ARG 37 -18.665 1.655 -1.723
310 H TYR 38 H TYR 38 -10.225 5.638 1.787
311 HA TYR 38 HA TYR 38 -8.720 7.418 0.139
312 HB2 TYR 38 1HB TYR 38 -8.022 6.190 2.818
313 HB3 TYR 38 2HB TYR 38 -7.170 7.527 2.053
314 HD1 TYR 38 HD1 TYR 38 -8.241 9.738 1.875
315 HD2 TYR 38 HD2 TYR 38 -10.113 6.525 3.939
316 HE1 TYR 38 HE1 TYR 38 -9.767 11.331 2.960
317 HE2 TYR 38 HE2 TYR 38 -11.649 8.107 5.027
318 HH TYR 38 HH TYR 38 -11.994 11.329 4.015
319 H GLU 39 H GLU 39 -6.765 7.090 -0.845
320 HA GLU 39 HA GLU 39 -6.076 4.276 -1.282
321 HB2 GLU 39 1HB GLU 39 -5.430 6.708 -2.959
322 HB3 GLU 39 2HB GLU 39 -5.039 5.045 -3.370
323 HG2 GLU 39 1HG GLU 39 -7.392 4.499 -3.510
324 HG3 GLU 39 2HG GLU 39 -7.817 6.141 -3.028
325 H ALA 40 H ALA 40 -3.948 3.595 -1.235
326 HA ALA 40 HA ALA 40 -2.052 5.456 0.046
327 HB1 ALA 40 3HB ALA 40 -2.245 2.464 0.407
328 HB2 ALA 40 1HB ALA 40 -2.745 3.683 1.579
329 HB3 ALA 40 2HB ALA 40 -1.043 3.519 1.151
330 H SER 41 H SER 41 -0.125 5.718 -0.909
331 HA SER 41 HA SER 41 0.286 4.350 -3.453
332 HB2 SER 41 1HB SER 41 1.874 6.656 -2.308
333 HB3 SER 41 2HB SER 41 1.815 6.121 -3.987
334 HG SER 41 HG SER 41 -0.206 7.398 -2.471
335 H PHE 42 H PHE 42 1.469 2.567 -3.436
336 HA PHE 42 HA PHE 42 3.671 2.327 -1.506
337 HB2 PHE 42 1HB PHE 42 2.352 0.222 -3.244
338 HB3 PHE 42 2HB PHE 42 3.666 -0.078 -2.112
339 HD1 PHE 42 HD1 PHE 42 3.275 0.092 0.310
340 HD2 PHE 42 HD2 PHE 42 0.106 0.475 -2.504
341 HE1 PHE 42 HE1 PHE 42 1.638 -0.287 2.107
342 HE2 PHE 42 HE2 PHE 42 -1.537 0.097 -0.713
343 HZ PHE 42 HZ PHE 42 -0.773 -0.285 1.597
344 H LYS 43 H LYS 43 5.543 3.041 -2.262
345 HA LYS 43 HA LYS 43 6.027 2.993 -5.144
346 HB2 LYS 43 1HB LYS 43 6.423 5.116 -4.011
347 HB3 LYS 43 2HB LYS 43 7.544 4.337 -2.898
348 HG2 LYS 43 1HG LYS 43 8.906 3.709 -4.943
349 HG3 LYS 43 2HG LYS 43 7.889 4.839 -5.836
350 HD2 LYS 43 1HD LYS 43 8.613 6.664 -4.450
351 HD3 LYS 43 2HD LYS 43 9.496 5.561 -3.390
352 HE2 LYS 43 1HE LYS 43 10.891 4.909 -5.349
353 HE3 LYS 43 2HE LYS 43 10.081 6.162 -6.285
354 HZ1 LYS 43 3HZ LYS 43 11.638 6.644 -3.804
355 HZ2 LYS 43 1HZ LYS 43 10.946 7.827 -4.805
356 HZ3 LYS 43 2HZ LYS 43 12.228 6.872 -5.376
357 HA PRO 44 HA PRO 44 8.761 -0.525 -4.694
358 HB2 PRO 44 1HB PRO 44 9.798 -0.384 -7.218
359 HB3 PRO 44 2HB PRO 44 8.236 -1.122 -6.846
360 HG2 PRO 44 1HG PRO 44 8.842 1.597 -7.927
361 HG3 PRO 44 2HG PRO 44 7.548 0.473 -8.380
362 HD2 PRO 44 1HD PRO 44 7.132 2.606 -6.764
363 HD3 PRO 44 2HD PRO 44 6.218 1.094 -6.603
364 H LEU 45 H LEU 45 10.754 -0.581 -3.887
365 HA LEU 45 HA LEU 45 12.269 1.742 -3.482
366 HB2 LEU 45 1HB LEU 45 13.017 -1.165 -3.215
367 HB3 LEU 45 2HB LEU 45 14.031 0.158 -2.671
368 HG LEU 45 HG LEU 45 11.246 -0.385 -1.642
369 HD11 LEU 45 1HD1 LEU 45 12.755 -2.181 -1.010
370 HD12 LEU 45 2HD1 LEU 45 12.361 -1.177 0.385
371 HD13 LEU 45 3HD1 LEU 45 13.926 -1.007 -0.410
372 HD21 LEU 45 3HD2 LEU 45 11.915 1.953 -1.491
373 HD22 LEU 45 1HD2 LEU 45 13.412 1.482 -0.685
374 HD23 LEU 45 2HD2 LEU 45 11.860 1.208 0.106
375 H ASN 46 H ASN 46 12.361 -0.636 -6.015
376 HA ASN 46 HA ASN 46 14.996 0.162 -6.906
377 HB2 ASN 46 1HB ASN 46 14.693 -1.579 -8.633
378 HB3 ASN 46 2HB ASN 46 14.396 -2.204 -7.013
379 HD21 ASN 46 2HD2 ASN 46 12.998 -1.402 -10.076
380 HD22 ASN 46 1HD2 ASN 46 11.452 -2.119 -9.789
381 H GLY 47 H GLY 47 12.524 1.875 -7.003
382 HA2 GLY 47 1HA GLY 47 11.992 3.692 -8.351
383 HA3 GLY 47 2HA GLY 47 13.060 3.047 -9.588
384 H GLY 48 H GLY 48 10.230 4.109 -9.603
385 HA2 GLY 48 1HA GLY 48 9.173 2.992 -11.763
386 HA3 GLY 48 2HA GLY 48 8.754 1.779 -10.561
387 H LEU 49 H LEU 49 6.639 2.723 -11.708
388 HA LEU 49 HA LEU 49 5.625 5.126 -10.536
389 HB2 LEU 49 1HB LEU 49 4.235 2.887 -12.005
390 HB3 LEU 49 2HB LEU 49 3.437 4.355 -11.474
391 HG LEU 49 HG LEU 49 5.691 4.199 -13.478
392 HD11 LEU 49 1HD1 LEU 49 3.578 3.349 -14.347
393 HD12 LEU 49 2HD1 LEU 49 3.999 4.891 -15.093
394 HD13 LEU 49 3HD1 LEU 49 2.765 4.829 -13.835
395 HD21 LEU 49 3HD2 LEU 49 5.273 6.583 -13.826
396 HD22 LEU 49 1HD2 LEU 49 5.790 6.256 -12.173
397 HD23 LEU 49 2HD2 LEU 49 4.089 6.569 -12.519
398 H GLU 50 H GLU 50 4.301 5.398 -8.826
399 HA GLU 50 HA GLU 50 4.439 3.534 -6.715
400 HB2 GLU 50 1HB GLU 50 2.582 5.900 -6.999
401 HB3 GLU 50 2HB GLU 50 3.020 5.092 -5.501
402 HG2 GLU 50 1HG GLU 50 5.308 5.836 -5.728
403 HG3 GLU 50 2HG GLU 50 4.937 6.569 -7.289
404 H LYS 51 H LYS 51 3.097 1.943 -6.100
405 HA LYS 51 HA LYS 51 0.775 1.359 -7.726
406 HB2 LYS 51 1HB LYS 51 2.101 -0.059 -5.424
407 HB3 LYS 51 2HB LYS 51 0.531 -0.564 -6.026
408 HG2 LYS 51 1HG LYS 51 2.067 -1.965 -7.084
409 HG3 LYS 51 2HG LYS 51 1.634 -0.767 -8.302
410 HD2 LYS 51 1HD LYS 51 3.694 0.476 -7.782
411 HD3 LYS 51 2HD LYS 51 4.130 -0.765 -6.604
412 HE2 LYS 51 1HE LYS 51 5.319 -1.236 -8.617
413 HE3 LYS 51 2HE LYS 51 4.039 -2.442 -8.458
414 HZ1 LYS 51 3HZ LYS 51 2.690 -1.037 -9.991
415 HZ2 LYS 51 1HZ LYS 51 4.085 -1.694 -10.701
416 HZ3 LYS 51 2HZ LYS 51 4.055 -0.066 -10.243
417 H THR 52 H THR 52 -0.855 2.734 -7.358
418 HA THR 52 HA THR 52 -1.474 3.556 -4.635
419 HB THR 52 HB THR 52 -2.916 4.373 -7.162
420 HG1 THR 52 HG1 THR 52 -0.410 4.811 -6.671
421 HG21 THR 52 3HG2 THR 52 -2.628 5.699 -4.460
422 HG22 THR 52 1HG2 THR 52 -4.073 4.889 -5.067
423 HG23 THR 52 2HG2 THR 52 -3.495 6.363 -5.845
424 H PHE 53 H PHE 53 -2.501 1.966 -3.554
425 HA PHE 53 HA PHE 53 -4.726 0.583 -4.878
426 HB2 PHE 53 1HB PHE 53 -3.197 -0.094 -2.357
427 HB3 PHE 53 2HB PHE 53 -4.594 -0.995 -2.938
428 HD1 PHE 53 HD1 PHE 53 -4.361 -1.698 -5.520
429 HD2 PHE 53 HD2 PHE 53 -1.137 -0.955 -2.849
430 HE1 PHE 53 HE1 PHE 53 -2.890 -3.095 -6.915
431 HE2 PHE 53 HE2 PHE 53 0.341 -2.347 -4.237
432 HZ PHE 53 HZ PHE 53 -0.534 -3.420 -6.273
433 H ARG 54 H ARG 54 -6.778 0.616 -4.048
434 HA ARG 54 HA ARG 54 -7.370 2.914 -2.388
435 HB2 ARG 54 1HB ARG 54 -9.257 0.973 -3.736
436 HB3 ARG 54 2HB ARG 54 -9.700 2.505 -2.993
437 HG2 ARG 54 1HG ARG 54 -8.189 3.630 -4.648
438 HG3 ARG 54 2HG ARG 54 -8.045 2.070 -5.461
439 HD2 ARG 54 1HD ARG 54 -10.466 2.014 -5.777
440 HD3 ARG 54 2HD ARG 54 -10.611 3.569 -4.958
441 HE ARG 54 HE ARG 54 -9.481 3.093 -7.621
442 HH11 ARG 54 1HH1 ARG 54 -10.327 5.347 -5.081
443 HH12 ARG 54 2HH1 ARG 54 -10.278 6.738 -6.116
444 HH21 ARG 54 1HH2 ARG 54 -9.424 4.911 -8.988
445 HH22 ARG 54 2HH2 ARG 54 -9.770 6.483 -8.344
446 H LEU 55 H LEU 55 -7.988 2.866 -0.341
447 HA LEU 55 HA LEU 55 -8.382 0.239 0.936
448 HB2 LEU 55 1HB LEU 55 -6.821 2.644 1.883
449 HB3 LEU 55 2HB LEU 55 -7.250 1.302 2.933
450 HG LEU 55 HG LEU 55 -5.491 1.131 0.483
451 HD11 LEU 55 1HD1 LEU 55 -4.817 0.933 3.415
452 HD12 LEU 55 2HD1 LEU 55 -4.436 2.292 2.358
453 HD13 LEU 55 3HD1 LEU 55 -3.694 0.718 2.073
454 HD21 LEU 55 3HD2 LEU 55 -5.061 -1.162 1.191
455 HD22 LEU 55 1HD2 LEU 55 -6.775 -0.921 0.849
456 HD23 LEU 55 2HD2 LEU 55 -6.209 -0.978 2.518
457 H GLN 56 H GLN 56 -9.596 0.321 2.950
458 HA GLN 56 HA GLN 56 -11.682 2.342 2.967
459 HB2 GLN 56 1HB GLN 56 -11.183 -0.013 4.805
460 HB3 GLN 56 2HB GLN 56 -12.599 1.026 4.860
461 HG2 GLN 56 1HG GLN 56 -11.797 -0.702 2.531
462 HG3 GLN 56 2HG GLN 56 -13.027 -1.104 3.726
463 HE21 GLN 56 2HE2 GLN 56 -13.265 -0.795 0.851
464 HE22 GLN 56 1HE2 GLN 56 -14.460 0.423 0.593
465 H ALA 57 H ALA 57 -12.234 3.350 5.155
466 HA ALA 57 HA ALA 57 -10.057 4.927 6.000
467 HB1 ALA 57 3HB ALA 57 -12.702 4.479 7.386
468 HB2 ALA 57 1HB ALA 57 -12.380 5.683 6.137
469 HB3 ALA 57 2HB ALA 57 -11.575 5.798 7.702
470 H GLN 58 H GLN 58 -11.610 2.095 7.400
471 HA GLN 58 HA GLN 58 -10.138 2.055 9.821
472 HB2 GLN 58 1HB GLN 58 -11.400 -0.294 8.394
473 HB3 GLN 58 2HB GLN 58 -11.005 -0.188 10.103
474 HG2 GLN 58 1HG GLN 58 -12.674 1.576 10.380
475 HG3 GLN 58 2HG GLN 58 -13.074 1.461 8.667
476 HE21 GLN 58 2HE2 GLN 58 -14.810 1.064 10.939
477 HE22 GLN 58 1HE2 GLN 58 -15.407 -0.556 10.825
478 H GLN 59 H GLN 59 -9.493 0.952 6.600
479 HA GLN 59 HA GLN 59 -7.367 -0.843 7.354
480 HB2 GLN 59 1HB GLN 59 -8.201 0.181 4.634
481 HB3 GLN 59 2HB GLN 59 -7.035 -1.102 4.927
482 HG2 GLN 59 1HG GLN 59 -8.760 -2.480 5.924
483 HG3 GLN 59 2HG GLN 59 -9.938 -1.185 5.716
484 HE21 GLN 59 2HE2 GLN 59 -9.975 -3.896 4.681
485 HE22 GLN 59 1HE2 GLN 59 -10.066 -3.750 2.956
486 H TYR 60 H TYR 60 -7.631 2.345 5.810
487 HA TYR 60 HA TYR 60 -4.880 2.773 5.432
488 HB2 TYR 60 1HB TYR 60 -6.477 4.189 4.316
489 HB3 TYR 60 2HB TYR 60 -7.153 4.726 5.850
490 HD1 TYR 60 HD1 TYR 60 -3.866 4.681 4.053
491 HD2 TYR 60 HD2 TYR 60 -6.502 6.785 6.648
492 HE1 TYR 60 HE1 TYR 60 -2.313 6.589 4.079
493 HE2 TYR 60 HE2 TYR 60 -4.960 8.696 6.679
494 HH TYR 60 HH TYR 60 -2.587 9.137 6.315
495 H HIS 61 H HIS 61 -6.927 3.099 8.219
496 HA HIS 61 HA HIS 61 -5.080 4.548 9.839
497 HB2 HIS 61 1HB HIS 61 -7.466 4.615 10.293
498 HB3 HIS 61 2HB HIS 61 -7.507 2.874 10.531
499 HD1 HIS 61 HD1 HIS 61 -7.082 2.022 12.834
500 HD2 HIS 61 HD2 HIS 61 -6.096 6.044 12.417
501 HE1 HIS 61 HE1 HIS 61 -6.616 2.852 15.163
502 HE2 HIS 61 HE2 HIS 61 -6.220 5.324 14.907
503 H ALA 62 H ALA 62 -4.948 1.422 8.678
504 HA ALA 62 HA ALA 62 -3.931 0.218 11.129
505 HB1 ALA 62 3HB ALA 62 -4.343 -1.020 8.414
506 HB2 ALA 62 1HB ALA 62 -5.493 -1.059 9.751
507 HB3 ALA 62 2HB ALA 62 -3.937 -1.876 9.902
508 H LEU 63 H LEU 63 -2.651 1.814 8.400
509 HA LEU 63 HA LEU 63 0.002 0.736 9.070
510 HB2 LEU 63 1HB LEU 63 0.731 0.900 6.778
511 HB3 LEU 63 2HB LEU 63 -0.673 -0.139 6.881
512 HG LEU 63 HG LEU 63 -0.951 2.747 6.085
513 HD11 LEU 63 1HD1 LEU 63 -0.778 2.063 3.755
514 HD12 LEU 63 2HD1 LEU 63 -0.380 0.419 4.255
515 HD13 LEU 63 3HD1 LEU 63 0.731 1.742 4.611
516 HD21 LEU 63 3HD2 LEU 63 -2.985 1.526 6.654
517 HD22 LEU 63 1HD2 LEU 63 -2.562 0.267 5.495
518 HD23 LEU 63 2HD2 LEU 63 -2.933 1.895 4.930
519 H THR 64 H THR 64 1.783 2.251 8.221
520 HA THR 64 HA THR 64 0.992 5.013 8.862
521 HB THR 64 HB THR 64 3.566 3.665 9.705
522 HG1 THR 64 HG1 THR 64 1.085 3.544 10.767
523 HG21 THR 64 3HG2 THR 64 3.742 6.101 9.444
524 HG22 THR 64 1HG2 THR 64 3.842 5.634 11.142
525 HG23 THR 64 2HG2 THR 64 2.348 6.318 10.502
526 H VAL 65 H VAL 65 1.787 6.594 7.581
527 HA VAL 65 HA VAL 65 3.085 5.948 5.139
528 HB VAL 65 HB VAL 65 2.493 8.594 6.470
529 HG11 VAL 65 1HG1 VAL 65 4.469 8.887 5.078
530 HG12 VAL 65 2HG1 VAL 65 3.071 9.661 4.333
531 HG13 VAL 65 3HG1 VAL 65 3.650 8.110 3.724
532 HG21 VAL 65 3HG2 VAL 65 1.296 7.204 4.079
533 HG22 VAL 65 1HG2 VAL 65 0.806 8.776 4.712
534 HG23 VAL 65 2HG2 VAL 65 0.567 7.321 5.681
535 H GLY 66 H GLY 66 5.178 5.906 4.624
536 HA2 GLY 66 1HA GLY 66 7.454 6.601 4.848
537 HA3 GLY 66 2HA GLY 66 7.135 6.990 6.534
538 H ASP 67 H ASP 67 5.579 4.334 6.611
539 HA ASP 67 HA ASP 67 7.779 2.840 7.664
540 HB2 ASP 67 1HB ASP 67 5.582 2.711 8.735
541 HB3 ASP 67 2HB ASP 67 4.896 2.009 7.273
542 H GLN 68 H GLN 68 9.173 2.345 6.066
543 HA GLN 68 HA GLN 68 8.498 0.997 3.665
544 HB2 GLN 68 1HB GLN 68 11.097 0.799 5.199
545 HB3 GLN 68 2HB GLN 68 10.854 0.477 3.490
546 HG2 GLN 68 1HG GLN 68 10.347 2.835 3.115
547 HG3 GLN 68 2HG GLN 68 10.587 3.157 4.833
548 HE21 GLN 68 2HE2 GLN 68 12.005 4.277 2.563
549 HE22 GLN 68 1HE2 GLN 68 13.674 3.875 2.791
550 H GLY 69 H GLY 69 7.930 -1.080 3.355
551 HA2 GLY 69 1HA GLY 69 8.777 -3.161 5.162
552 HA3 GLY 69 2HA GLY 69 7.075 -2.751 5.312
553 H THR 70 H THR 70 7.175 -5.161 4.681
554 HA THR 70 HA THR 70 7.764 -5.682 1.900
555 HB THR 70 HB THR 70 6.499 -7.582 3.879
556 HG1 THR 70 HG1 THR 70 8.357 -7.645 4.886
557 HG21 THR 70 3HG2 THR 70 7.602 -9.290 2.502
558 HG22 THR 70 1HG2 THR 70 8.231 -8.027 1.443
559 HG23 THR 70 2HG2 THR 70 6.493 -8.310 1.543
560 H LEU 71 H LEU 71 6.288 -6.043 0.293
561 HA LEU 71 HA LEU 71 3.453 -5.659 0.998
562 HB2 LEU 71 1HB LEU 71 4.454 -3.815 -0.324
563 HB3 LEU 71 2HB LEU 71 4.862 -4.964 -1.584
564 HG LEU 71 HG LEU 71 2.439 -5.421 -1.901
565 HD11 LEU 71 1HD1 LEU 71 2.096 -3.124 0.019
566 HD12 LEU 71 2HD1 LEU 71 1.667 -4.808 0.325
567 HD13 LEU 71 3HD1 LEU 71 0.814 -3.892 -0.918
568 HD21 LEU 71 3HD2 LEU 71 3.600 -3.827 -3.329
569 HD22 LEU 71 1HD2 LEU 71 3.270 -2.535 -2.175
570 HD23 LEU 71 2HD2 LEU 71 1.940 -3.312 -3.033
571 H SER 72 H SER 72 2.143 -7.288 0.564
572 HA SER 72 HA SER 72 3.139 -9.507 -1.091
573 HB2 SER 72 1HB SER 72 0.852 -9.465 0.898
574 HB3 SER 72 2HB SER 72 1.522 -10.886 0.095
575 HG SER 72 HG SER 72 3.203 -9.221 1.607
576 H TYR 73 H TYR 73 2.508 -9.232 -3.142
577 HA TYR 73 HA TYR 73 -0.345 -8.848 -3.644
578 HB2 TYR 73 1HB TYR 73 0.121 -7.224 -5.455
579 HB3 TYR 73 2HB TYR 73 0.580 -6.609 -3.873
580 HD1 TYR 73 HD2 TYR 73 3.097 -6.833 -3.239
581 HD2 TYR 73 HD1 TYR 73 1.634 -7.133 -7.223
582 HE1 TYR 73 HE2 TYR 73 5.341 -6.317 -4.097
583 HE2 TYR 73 HE1 TYR 73 3.873 -6.620 -8.089
584 HH TYR 73 HH TYR 73 6.652 -6.647 -6.135
585 H LYS 74 H LYS 74 -0.963 -9.475 -5.837
586 HA LYS 74 HA LYS 74 0.955 -11.352 -7.048
587 HB2 LYS 74 1HB LYS 74 -2.017 -11.739 -6.631
588 HB3 LYS 74 2HB LYS 74 -1.027 -12.775 -7.652
589 HG2 LYS 74 1HG LYS 74 0.271 -13.492 -5.774
590 HG3 LYS 74 2HG LYS 74 -0.529 -12.327 -4.719
591 HD2 LYS 74 1HD LYS 74 -2.633 -13.496 -4.968
592 HD3 LYS 74 2HD LYS 74 -1.906 -14.612 -6.127
593 HE2 LYS 74 1HE LYS 74 -0.447 -15.500 -4.431
594 HE3 LYS 74 2HE LYS 74 -0.998 -14.294 -3.270
595 HZ1 LYS 74 3HZ LYS 74 -3.136 -15.284 -3.206
596 HZ2 LYS 74 1HZ LYS 74 -2.007 -16.529 -2.997
597 HZ3 LYS 74 2HZ LYS 74 -2.782 -16.328 -4.494
598 H GLY 75 H GLY 75 1.604 -9.996 -8.663
599 HA2 GLY 75 1HA GLY 75 1.450 -8.997 -10.746
600 HA3 GLY 75 2HA GLY 75 -0.239 -9.493 -10.816
601 H THR 76 H THR 76 -1.663 -7.914 -10.769
602 HA THR 76 HA THR 76 -0.893 -5.339 -9.576
603 HB THR 76 HB THR 76 -2.957 -4.491 -10.797
604 HG1 THR 76 HG1 THR 76 -3.094 -7.155 -11.400
605 HG21 THR 76 3HG2 THR 76 -0.714 -5.658 -12.448
606 HG22 THR 76 1HG2 THR 76 -0.696 -4.095 -11.632
607 HG23 THR 76 2HG2 THR 76 -1.814 -4.380 -12.966
608 H ARG 77 H ARG 77 -2.326 -8.077 -8.638
609 HA ARG 77 HA ARG 77 -4.652 -6.882 -7.354
610 HB2 ARG 77 1HB ARG 77 -4.839 -9.072 -8.517
611 HB3 ARG 77 2HB ARG 77 -3.723 -9.757 -7.344
612 HG2 ARG 77 1HG ARG 77 -5.280 -9.430 -5.566
613 HG3 ARG 77 2HG ARG 77 -6.360 -8.507 -6.614
614 HD2 ARG 77 1HD ARG 77 -6.669 -10.516 -8.012
615 HD3 ARG 77 2HD ARG 77 -5.654 -11.425 -6.894
616 HE ARG 77 HE ARG 77 -7.363 -11.031 -5.191
617 HH11 ARG 77 1HH1 ARG 77 -8.259 -10.524 -8.535
618 HH12 ARG 77 2HH1 ARG 77 -9.951 -10.835 -8.264
619 HH21 ARG 77 1HH2 ARG 77 -9.587 -11.426 -4.822
620 HH22 ARG 77 2HH2 ARG 77 -10.712 -11.323 -6.140
621 H PHE 78 H PHE 78 -4.343 -5.907 -5.505
622 HA PHE 78 HA PHE 78 -2.135 -6.371 -3.779
623 HB2 PHE 78 1HB PHE 78 -3.144 -4.177 -3.895
624 HB3 PHE 78 2HB PHE 78 -4.707 -4.821 -3.413
625 HD1 PHE 78 HD2 PHE 78 -1.241 -4.249 -2.221
626 HD2 PHE 78 HD1 PHE 78 -5.305 -4.951 -1.161
627 HE1 PHE 78 HE2 PHE 78 -0.709 -3.769 0.133
628 HE2 PHE 78 HE1 PHE 78 -4.778 -4.470 1.193
629 HZ PHE 78 HZ PHE 78 -2.478 -3.879 1.842
630 H VAL 79 H VAL 79 -1.909 -7.830 -2.222
631 HA VAL 79 HA VAL 79 -4.274 -9.335 -1.352
632 HB VAL 79 HB VAL 79 -1.346 -10.034 -1.046
633 HG11 VAL 79 1HG1 VAL 79 -3.818 -11.652 -0.436
634 HG12 VAL 79 2HG1 VAL 79 -2.701 -10.972 0.747
635 HG13 VAL 79 3HG1 VAL 79 -2.157 -12.239 -0.352
636 HG21 VAL 79 3HG2 VAL 79 -2.061 -10.126 -3.369
637 HG22 VAL 79 1HG2 VAL 79 -3.439 -11.132 -2.920
638 HG23 VAL 79 2HG2 VAL 79 -1.798 -11.752 -2.737
639 H GLY 80 H GLY 80 -1.222 -8.085 0.044
640 HA2 GLY 80 1HA GLY 80 -2.594 -6.823 2.214
641 HA3 GLY 80 2HA GLY 80 -1.847 -8.333 2.713
642 H PHE 81 H PHE 81 -1.127 -5.899 3.811
643 HA PHE 81 HA PHE 81 1.555 -5.449 2.686
644 HB2 PHE 81 1HB PHE 81 0.220 -3.419 2.623
645 HB3 PHE 81 2HB PHE 81 -0.204 -3.602 4.321
646 HD1 PHE 81 HD1 PHE 81 2.829 -3.318 2.161
647 HD2 PHE 81 HD2 PHE 81 0.953 -2.352 5.856
648 HE1 PHE 81 HE1 PHE 81 4.774 -1.946 2.786
649 HE2 PHE 81 HE2 PHE 81 2.892 -0.978 6.489
650 HZ PHE 81 HZ PHE 81 4.809 -0.775 4.954
651 H VAL 82 H VAL 82 3.300 -5.788 3.971
652 HA VAL 82 HA VAL 82 2.737 -6.775 6.693
653 HB VAL 82 HB VAL 82 5.019 -7.587 4.882
654 HG11 VAL 82 1HG1 VAL 82 5.608 -7.704 7.237
655 HG12 VAL 82 2HG1 VAL 82 5.437 -9.325 6.563
656 HG13 VAL 82 3HG1 VAL 82 4.157 -8.649 7.570
657 HG21 VAL 82 3HG2 VAL 82 2.885 -8.438 4.054
658 HG22 VAL 82 1HG2 VAL 82 2.536 -9.123 5.641
659 HG23 VAL 82 2HG2 VAL 82 3.885 -9.744 4.690
660 H SER 83 H SER 83 3.100 -4.945 7.855
661 HA SER 83 HA SER 83 5.285 -3.183 7.471
662 HB2 SER 83 1HB SER 83 3.246 -2.510 8.672
663 HB3 SER 83 2HB SER 83 3.591 -3.689 9.936
664 HG SER 83 HG SER 83 5.076 -1.356 9.254
665 H ARG 84 H ARG 84 7.270 -3.083 8.529
666 HA ARG 84 HA ARG 84 8.420 -5.555 9.308
667 HB2 ARG 84 1HB ARG 84 9.453 -2.746 9.706
668 HB3 ARG 84 2HB ARG 84 10.394 -4.209 9.951
669 HG2 ARG 84 1HG ARG 84 9.971 -4.753 7.532
670 HG3 ARG 84 2HG ARG 84 9.311 -3.122 7.370
671 HD2 ARG 84 1HD ARG 84 11.428 -2.192 8.169
672 HD3 ARG 84 2HD ARG 84 12.083 -3.818 8.327
673 HE ARG 84 HE ARG 84 11.859 -2.268 5.936
674 HH11 ARG 84 1HH1 ARG 84 11.787 -5.570 7.111
675 HH12 ARG 84 2HH1 ARG 84 12.529 -6.225 5.682
676 HH21 ARG 84 1HH2 ARG 84 12.878 -3.122 4.076
677 HH22 ARG 84 2HH2 ARG 84 13.182 -4.836 3.983
678 H THR 85 H THR 85 7.507 -2.657 11.098
679 HA THR 85 HA THR 85 7.456 -4.286 13.552
680 HB THR 85 HB THR 85 7.890 -1.309 13.570
681 HG1 THR 85 HG1 THR 85 9.600 -2.062 12.355
682 HG21 THR 85 3HG2 THR 85 8.938 -1.792 15.732
683 HG22 THR 85 1HG2 THR 85 8.642 -3.514 15.494
684 HG23 THR 85 2HG2 THR 85 7.285 -2.404 15.678
685 HA PRO 86 HA PRO 86 3.086 -2.950 12.784
686 HB2 PRO 86 1HB PRO 86 2.726 -5.272 14.598
687 HB3 PRO 86 2HB PRO 86 1.896 -4.887 13.086
688 HG2 PRO 86 1HG PRO 86 3.718 -6.831 13.190
689 HG3 PRO 86 2HG PRO 86 3.595 -5.768 11.776
690 HD2 PRO 86 1HD PRO 86 5.576 -5.726 14.016
691 HD3 PRO 86 2HD PRO 86 5.829 -5.439 12.282
692 H ASP 87 H ASP 87 1.439 -2.361 14.389
693 HA ASP 87 HA ASP 87 2.466 -0.594 16.237
694 HB2 ASP 87 1HB ASP 87 0.199 -0.429 15.313
695 HB3 ASP 87 2HB ASP 87 -0.287 -1.834 16.257
696 H ASN 88 H ASN 88 1.278 -3.874 16.834
697 HA ASN 88 HA ASN 88 1.519 -3.598 19.675
698 HB2 ASN 88 1HB ASN 88 0.584 -5.690 17.836
699 HB3 ASN 88 2HB ASN 88 1.306 -6.284 19.328
700 HD21 ASN 88 2HD2 ASN 88 0.510 -3.944 20.866
701 HD22 ASN 88 1HD2 ASN 88 -1.196 -4.087 21.127
702 H GLU 89 H GLU 89 3.820 -4.219 17.273
703 HA GLU 89 HA GLU 89 5.550 -5.684 19.089
704 HB2 GLU 89 1HB GLU 89 5.951 -4.658 16.285
705 HB3 GLU 89 2HB GLU 89 7.277 -5.312 17.238
706 HG2 GLU 89 1HG GLU 89 5.752 -7.367 17.541
707 HG3 GLU 89 2HG GLU 89 4.857 -6.709 16.172
708 H LEU 90 H LEU 90 4.602 -2.557 18.645
709 HA LEU 90 HA LEU 90 6.990 -1.547 20.036
710 HB2 LEU 90 1HB LEU 90 6.340 -0.365 17.937
711 HB3 LEU 90 2HB LEU 90 4.797 0.024 18.673
712 HG LEU 90 HG LEU 90 5.970 1.341 20.403
713 HD11 LEU 90 1HD1 LEU 90 8.096 0.136 20.379
714 HD12 LEU 90 2HD1 LEU 90 8.335 1.866 20.127
715 HD13 LEU 90 3HD1 LEU 90 8.429 0.754 18.762
716 HD21 LEU 90 3HD2 LEU 90 6.631 3.197 18.941
717 HD22 LEU 90 1HD2 LEU 90 5.122 2.451 18.414
718 HD23 LEU 90 2HD2 LEU 90 6.624 2.101 17.559
719 H GLU 91 H GLU 91 3.468 -1.483 19.974
720 HA GLU 91 HA GLU 91 3.211 -0.539 22.681
721 HB2 GLU 91 1HB GLU 91 1.564 -0.402 20.583
722 HB3 GLU 91 2HB GLU 91 0.987 -1.926 21.236
723 HG2 GLU 91 1HG GLU 91 1.079 0.696 22.713
724 HG3 GLU 91 2HG GLU 91 -0.351 -0.030 21.985
725 H HIS 92 H HIS 92 4.328 -2.004 23.953
726 HA HIS 92 HA HIS 92 3.847 -4.847 23.626
727 HB2 HIS 92 1HB HIS 92 5.860 -3.211 25.101
728 HB3 HIS 92 2HB HIS 92 5.569 -4.868 25.622
729 HD1 HIS 92 HD1 HIS 92 7.620 -2.975 23.360
730 HD2 HIS 92 HD2 HIS 92 5.860 -6.744 23.310
731 HE1 HIS 92 HE1 HIS 92 8.891 -4.296 21.646
732 HE2 HIS 92 HE2 HIS 92 7.959 -6.630 21.801
733 H HIS 93 H HIS 93 3.803 -6.126 25.781
734 HA HIS 93 HA HIS 93 1.252 -5.359 26.914
735 HB2 HIS 93 1HB HIS 93 2.895 -7.880 27.202
736 HB3 HIS 93 2HB HIS 93 1.298 -7.646 27.907
737 HD1 HIS 93 HD1 HIS 93 2.614 -9.431 25.278
738 HD2 HIS 93 HD2 HIS 93 -0.427 -6.594 25.465
739 HE1 HIS 93 HE1 HIS 93 1.211 -9.801 23.224
740 HE2 HIS 93 HE2 HIS 93 -0.586 -8.034 23.319
741 H HIS 94 H HIS 94 4.550 -5.256 27.877
742 HA HIS 94 HA HIS 94 3.793 -4.972 30.689
743 HB2 HIS 94 1HB HIS 94 6.379 -5.457 29.284
744 HB3 HIS 94 2HB HIS 94 6.422 -4.629 30.838
745 HD1 HIS 94 HD1 HIS 94 7.568 -6.605 32.016
746 HD2 HIS 94 HD2 HIS 94 3.892 -7.556 30.314
747 HE1 HIS 94 HE1 HIS 94 6.951 -8.857 32.944
748 HE2 HIS 94 HE2 HIS 94 4.642 -9.322 32.053
749 H HIS 95 H HIS 95 3.381 -3.081 31.512
750 HA HIS 95 HA HIS 95 4.543 -0.673 30.262
751 HB2 HIS 95 1HB HIS 95 1.728 -1.285 31.042
752 HB3 HIS 95 2HB HIS 95 2.307 0.358 31.273
753 HD1 HIS 95 HD1 HIS 95 1.522 1.758 29.427
754 HD2 HIS 95 HD2 HIS 95 2.564 -2.061 28.131
755 HE1 HIS 95 HE1 HIS 95 1.153 1.755 26.936
756 HE2 HIS 95 HE2 HIS 95 1.612 -0.614 26.203
757 H HIS 96 H HIS 96 4.729 1.170 31.682
758 HA HIS 96 HA HIS 96 4.657 0.530 34.555
759 HB2 HIS 96 1HB HIS 96 6.111 2.654 32.982
760 HB3 HIS 96 2HB HIS 96 5.849 2.822 34.714
761 HD1 HIS 96 HD1 HIS 96 8.195 1.494 32.327
762 HD2 HIS 96 HD2 HIS 96 7.020 0.550 36.204
763 HE1 HIS 96 HE1 HIS 96 10.030 0.048 33.263
764 HE2 HIS 96 HE2 HIS 96 9.415 -0.281 35.686
765 H HIS 97 H HIS 97 3.455 2.525 31.994
766 HA HIS 97 HA HIS 97 1.167 3.217 33.683
767 HB2 HIS 97 1HB HIS 97 2.544 5.242 33.508
768 HB3 HIS 97 2HB HIS 97 2.558 5.095 31.754
769 HD1 HIS 97 HD1 HIS 97 -0.106 5.371 34.473
770 HD2 HIS 97 HD2 HIS 97 0.706 6.689 30.611
771 HE1 HIS 97 HE1 HIS 97 -2.022 6.876 33.851
772 HE2 HIS 97 HE2 HIS 97 -1.398 7.829 31.603
Start of MODEL 2
1 H1 MET 1 1H MET 1 9.227 -16.721 -8.127
2 H2 MET 1 2H MET 1 8.619 -18.297 -8.262
3 H3 MET 1 3H MET 1 10.143 -17.919 -8.903
4 HA MET 1 HA MET 1 10.347 -19.147 -6.850
5 HB2 MET 1 1HB MET 1 12.022 -17.409 -7.503
6 HB3 MET 1 2HB MET 1 11.149 -16.250 -6.509
7 HG2 MET 1 1HG MET 1 11.624 -17.545 -4.524
8 HG3 MET 1 2HG MET 1 12.418 -18.784 -5.494
9 HE1 MET 1 3HE MET 1 14.600 -18.716 -4.063
10 HE2 MET 1 1HE MET 1 13.851 -17.532 -2.990
11 HE3 MET 1 2HE MET 1 15.464 -17.239 -3.640
12 H ALA 2 H ALA 2 8.179 -16.432 -6.736
13 HA ALA 2 HA ALA 2 7.290 -17.340 -4.087
14 HB1 ALA 2 3HB ALA 2 6.941 -15.035 -3.377
15 HB2 ALA 2 1HB ALA 2 7.596 -14.456 -4.909
16 HB3 ALA 2 2HB ALA 2 8.636 -15.321 -3.777
17 HA PRO 3 HA PRO 3 3.444 -17.496 -6.451
18 HB2 PRO 3 1HB PRO 3 2.406 -18.247 -3.785
19 HB3 PRO 3 2HB PRO 3 2.267 -19.100 -5.324
20 HG2 PRO 3 1HG PRO 3 3.881 -19.994 -3.390
21 HG3 PRO 3 2HG PRO 3 4.335 -20.118 -5.102
22 HD2 PRO 3 1HD PRO 3 5.258 -18.165 -3.027
23 HD3 PRO 3 2HD PRO 3 6.188 -18.973 -4.307
24 H LEU 4 H LEU 4 3.647 -16.269 -3.130
25 HA LEU 4 HA LEU 4 1.816 -14.093 -3.758
26 HB2 LEU 4 1HB LEU 4 1.668 -15.243 -1.561
27 HB3 LEU 4 2HB LEU 4 3.306 -14.736 -1.206
28 HG LEU 4 HG LEU 4 2.612 -12.403 -1.171
29 HD11 LEU 4 1HD1 LEU 4 -0.156 -13.468 -1.711
30 HD12 LEU 4 2HD1 LEU 4 0.818 -12.494 -2.813
31 HD13 LEU 4 3HD1 LEU 4 0.245 -11.803 -1.295
32 HD21 LEU 4 3HD2 LEU 4 2.526 -13.674 0.893
33 HD22 LEU 4 1HD2 LEU 4 0.888 -14.209 0.518
34 HD23 LEU 4 2HD2 LEU 4 1.207 -12.507 0.841
35 H GLN 5 H GLN 5 2.603 -12.262 -4.593
36 HA GLN 5 HA GLN 5 5.460 -11.945 -4.783
37 HB2 GLN 5 1HB GLN 5 3.211 -10.188 -5.792
38 HB3 GLN 5 2HB GLN 5 4.914 -9.981 -6.181
39 HG2 GLN 5 1HG GLN 5 4.956 -12.117 -7.310
40 HG3 GLN 5 2HG GLN 5 3.284 -12.422 -6.850
41 HE21 GLN 5 2HE2 GLN 5 4.513 -12.293 -9.484
42 HE22 GLN 5 1HE2 GLN 5 3.656 -11.073 -10.361
43 H GLN 6 H GLN 6 6.562 -11.113 -3.195
44 HA GLN 6 HA GLN 6 5.375 -8.954 -1.590
45 HB2 GLN 6 1HB GLN 6 7.024 -11.308 -0.678
46 HB3 GLN 6 2HB GLN 6 6.779 -9.879 0.313
47 HG2 GLN 6 1HG GLN 6 4.369 -10.272 0.285
48 HG3 GLN 6 2HG GLN 6 4.618 -11.705 -0.713
49 HE21 GLN 6 2HE2 GLN 6 3.468 -11.370 1.994
50 HE22 GLN 6 1HE2 GLN 6 4.378 -12.440 3.005
51 H LYS 7 H LYS 7 6.576 -7.201 -1.313
52 HA LYS 7 HA LYS 7 9.465 -7.335 -1.411
53 HB2 LYS 7 1HB LYS 7 8.620 -6.944 -3.802
54 HB3 LYS 7 2HB LYS 7 8.061 -5.376 -3.229
55 HG2 LYS 7 1HG LYS 7 10.507 -5.120 -2.387
56 HG3 LYS 7 2HG LYS 7 10.842 -6.390 -3.564
57 HD2 LYS 7 1HD LYS 7 9.755 -4.985 -5.300
58 HD3 LYS 7 2HD LYS 7 9.599 -3.697 -4.101
59 HE2 LYS 7 1HE LYS 7 12.116 -4.890 -5.233
60 HE3 LYS 7 2HE LYS 7 11.558 -3.220 -5.341
61 HZ1 LYS 7 3HZ LYS 7 11.771 -3.190 -2.831
62 HZ2 LYS 7 1HZ LYS 7 13.224 -3.241 -3.709
63 HZ3 LYS 7 2HZ LYS 7 12.629 -4.646 -2.975
64 H GLN 8 H GLN 8 10.425 -5.547 -0.351
65 HA GLN 8 HA GLN 8 8.633 -4.067 1.360
66 HB2 GLN 8 1HB GLN 8 11.640 -3.997 1.075
67 HB3 GLN 8 2HB GLN 8 10.738 -3.047 2.248
68 HG2 GLN 8 1HG GLN 8 9.824 -5.194 3.150
69 HG3 GLN 8 2HG GLN 8 10.956 -6.040 2.097
70 HE21 GLN 8 2HE2 GLN 8 10.743 -5.981 5.009
71 HE22 GLN 8 1HE2 GLN 8 12.283 -5.445 5.593
72 H VAL 9 H VAL 9 7.829 -2.154 0.999
73 HA VAL 9 HA VAL 9 9.055 -0.418 -1.036
74 HB VAL 9 HB VAL 9 6.729 0.297 -1.673
75 HG11 VAL 9 1HG1 VAL 9 7.431 -2.594 -2.182
76 HG12 VAL 9 2HG1 VAL 9 8.014 -1.204 -3.098
77 HG13 VAL 9 3HG1 VAL 9 6.302 -1.628 -3.131
78 HG21 VAL 9 3HG2 VAL 9 5.945 -2.176 -0.132
79 HG22 VAL 9 1HG2 VAL 9 4.877 -1.232 -1.171
80 HG23 VAL 9 2HG2 VAL 9 5.545 -0.511 0.294
81 H VAL 10 H VAL 10 8.035 1.845 -0.877
82 HA VAL 10 HA VAL 10 7.871 2.570 1.972
83 HB VAL 10 HB VAL 10 8.604 4.367 -0.348
84 HG11 VAL 10 1HG1 VAL 10 8.803 4.783 2.632
85 HG12 VAL 10 2HG1 VAL 10 7.648 5.555 1.545
86 HG13 VAL 10 3HG1 VAL 10 9.371 5.907 1.396
87 HG21 VAL 10 3HG2 VAL 10 10.909 4.229 0.475
88 HG22 VAL 10 1HG2 VAL 10 10.308 2.662 -0.067
89 HG23 VAL 10 2HG2 VAL 10 10.407 3.019 1.656
90 H VAL 11 H VAL 11 5.922 3.186 2.673
91 HA VAL 11 HA VAL 11 3.802 3.894 0.879
92 HB VAL 11 HB VAL 11 3.895 4.309 3.875
93 HG11 VAL 11 1HG1 VAL 11 1.579 4.027 1.961
94 HG12 VAL 11 2HG1 VAL 11 2.091 5.510 2.765
95 HG13 VAL 11 3HG1 VAL 11 1.448 4.169 3.714
96 HG21 VAL 11 3HG2 VAL 11 4.400 1.984 3.356
97 HG22 VAL 11 1HG2 VAL 11 2.974 1.892 2.321
98 HG23 VAL 11 2HG2 VAL 11 2.788 2.126 4.059
99 H SER 12 H SER 12 4.215 5.706 -0.271
100 HA SER 12 HA SER 12 5.763 7.865 0.719
101 HB2 SER 12 1HB SER 12 3.964 7.823 -1.710
102 HB3 SER 12 2HB SER 12 5.321 8.910 -1.417
103 HG SER 12 HG SER 12 5.577 6.862 -2.786
104 H ASN 13 H ASN 13 2.311 7.548 -0.016
105 HA ASN 13 HA ASN 13 1.410 9.235 2.027
106 HB2 ASN 13 1HB ASN 13 2.548 10.990 0.640
107 HB3 ASN 13 2HB ASN 13 1.487 10.574 -0.699
108 HD21 ASN 13 2HD2 ASN 13 0.626 12.632 -0.793
109 HD22 ASN 13 1HD2 ASN 13 -0.482 13.228 0.391
110 H LYS 14 H LYS 14 -0.956 9.814 1.633
111 HA LYS 14 HA LYS 14 -2.286 7.566 0.437
112 HB2 LYS 14 1HB LYS 14 -4.346 8.602 1.191
113 HB3 LYS 14 2HB LYS 14 -3.157 8.663 2.485
114 HG2 LYS 14 1HG LYS 14 -2.794 10.969 2.186
115 HG3 LYS 14 2HG LYS 14 -3.626 10.975 0.629
116 HD2 LYS 14 1HD LYS 14 -5.733 10.440 1.771
117 HD3 LYS 14 2HD LYS 14 -4.892 10.476 3.323
118 HE2 LYS 14 1HE LYS 14 -4.369 12.813 3.029
119 HE3 LYS 14 2HE LYS 14 -5.057 12.797 1.405
120 HZ1 LYS 14 3HZ LYS 14 -7.221 12.394 2.316
121 HZ2 LYS 14 1HZ LYS 14 -6.554 13.752 3.085
122 HZ3 LYS 14 2HZ LYS 14 -6.593 12.255 3.889
123 H ARG 15 H ARG 15 -3.814 7.687 -1.266
124 HA ARG 15 HA ARG 15 -3.556 10.055 -3.002
125 HB2 ARG 15 1HB ARG 15 -3.926 7.169 -3.844
126 HB3 ARG 15 2HB ARG 15 -3.929 8.549 -4.933
127 HG2 ARG 15 1HG ARG 15 -1.575 7.907 -3.186
128 HG3 ARG 15 2HG ARG 15 -1.795 7.174 -4.774
129 HD2 ARG 15 1HD ARG 15 -0.346 9.078 -4.987
130 HD3 ARG 15 2HD ARG 15 -1.883 9.440 -5.764
131 HE ARG 15 HE ARG 15 -1.910 10.384 -3.098
132 HH11 ARG 15 1HH1 ARG 15 -0.462 11.063 -6.210
133 HH12 ARG 15 2HH1 ARG 15 -0.306 12.764 -5.913
134 HH21 ARG 15 1HH2 ARG 15 -1.732 12.654 -2.715
135 HH22 ARG 15 2HH2 ARG 15 -1.052 13.671 -3.954
136 H GLU 16 H GLU 16 -5.477 10.776 -3.976
137 HA GLU 16 HA GLU 16 -7.931 9.421 -3.104
138 HB2 GLU 16 1HB GLU 16 -7.485 12.406 -2.870
139 HB3 GLU 16 2HB GLU 16 -8.938 11.526 -2.418
140 HG2 GLU 16 1HG GLU 16 -7.759 10.404 -0.640
141 HG3 GLU 16 2HG GLU 16 -6.243 11.153 -1.133
142 H LYS 17 H LYS 17 -8.318 8.710 -5.190
143 HA LYS 17 HA LYS 17 -8.932 10.848 -7.121
144 HB2 LYS 17 1HB LYS 17 -8.282 7.944 -7.646
145 HB3 LYS 17 2HB LYS 17 -8.741 9.111 -8.876
146 HG2 LYS 17 1HG LYS 17 -6.739 10.437 -8.328
147 HG3 LYS 17 2HG LYS 17 -6.269 9.198 -7.161
148 HD2 LYS 17 1HD LYS 17 -6.601 8.830 -10.138
149 HD3 LYS 17 2HD LYS 17 -5.078 8.867 -9.248
150 HE2 LYS 17 1HE LYS 17 -7.272 6.823 -8.909
151 HE3 LYS 17 2HE LYS 17 -5.761 6.574 -9.783
152 HZ1 LYS 17 3HZ LYS 17 -5.924 7.266 -6.898
153 HZ2 LYS 17 1HZ LYS 17 -4.534 6.821 -7.769
154 HZ3 LYS 17 2HZ LYS 17 -5.770 5.688 -7.483
155 HA PRO 18 HA PRO 18 -13.126 9.499 -6.073
156 HB2 PRO 18 1HB PRO 18 -13.791 11.874 -7.688
157 HB3 PRO 18 2HB PRO 18 -14.252 11.482 -6.029
158 HG2 PRO 18 1HG PRO 18 -12.466 13.409 -6.574
159 HG3 PRO 18 2HG PRO 18 -12.318 12.376 -5.139
160 HD2 PRO 18 1HD PRO 18 -10.853 12.219 -7.748
161 HD3 PRO 18 2HD PRO 18 -10.240 12.001 -6.095
162 H VAL 19 H VAL 19 -13.799 7.845 -7.263
163 HA VAL 19 HA VAL 19 -13.360 7.371 -9.953
164 HB VAL 19 HB VAL 19 -15.742 6.408 -8.356
165 HG11 VAL 19 1HG1 VAL 19 -14.391 5.250 -10.794
166 HG12 VAL 19 2HG1 VAL 19 -15.981 6.012 -10.743
167 HG13 VAL 19 3HG1 VAL 19 -15.704 4.492 -9.892
168 HG21 VAL 19 3HG2 VAL 19 -13.650 5.945 -7.185
169 HG22 VAL 19 1HG2 VAL 19 -13.000 5.179 -8.634
170 HG23 VAL 19 2HG2 VAL 19 -14.376 4.460 -7.797
171 H ASN 20 H ASN 20 -14.134 8.272 -11.748
172 HA ASN 20 HA ASN 20 -16.005 10.420 -11.573
173 HB2 ASN 20 1HB ASN 20 -14.065 10.247 -13.204
174 HB3 ASN 20 2HB ASN 20 -15.051 9.110 -14.121
175 HD21 ASN 20 2HD2 ASN 20 -15.247 10.407 -15.919
176 HD22 ASN 20 1HD2 ASN 20 -16.167 11.879 -15.920
177 H ASP 21 H ASP 21 -16.139 7.215 -13.112
178 HA ASP 21 HA ASP 21 -19.008 7.554 -13.539
179 HB2 ASP 21 1HB ASP 21 -17.587 6.657 -15.380
180 HB3 ASP 21 2HB ASP 21 -17.210 5.264 -14.370
181 H ARG 22 H ARG 22 -19.932 7.335 -11.542
182 HA ARG 22 HA ARG 22 -19.132 5.069 -9.883
183 HB2 ARG 22 1HB ARG 22 -21.001 7.360 -9.256
184 HB3 ARG 22 2HB ARG 22 -20.474 6.126 -8.119
185 HG2 ARG 22 1HG ARG 22 -18.149 6.896 -8.417
186 HG3 ARG 22 2HG ARG 22 -18.741 8.186 -9.466
187 HD2 ARG 22 1HD ARG 22 -20.156 8.979 -7.580
188 HD3 ARG 22 2HD ARG 22 -19.393 7.767 -6.552
189 HE ARG 22 HE ARG 22 -17.622 9.634 -7.912
190 HH11 ARG 22 1HH1 ARG 22 -19.320 8.807 -4.961
191 HH12 ARG 22 2HH1 ARG 22 -18.288 9.763 -3.945
192 HH21 ARG 22 1HH2 ARG 22 -16.288 10.912 -6.607
193 HH22 ARG 22 2HH2 ARG 22 -16.543 10.968 -4.883
194 H ARG 23 H ARG 23 -20.059 3.379 -11.031
195 HA ARG 23 HA ARG 23 -22.922 3.303 -11.392
196 HB2 ARG 23 1HB ARG 23 -20.886 1.076 -11.630
197 HB3 ARG 23 2HB ARG 23 -22.564 1.003 -12.156
198 HG2 ARG 23 1HG ARG 23 -22.121 2.803 -13.766
199 HG3 ARG 23 2HG ARG 23 -20.429 2.814 -13.264
200 HD2 ARG 23 1HD ARG 23 -20.276 0.429 -13.929
201 HD3 ARG 23 2HD ARG 23 -21.925 0.535 -14.547
202 HE ARG 23 HE ARG 23 -20.125 2.514 -15.627
203 HH11 ARG 23 1HH1 ARG 23 -21.495 -0.692 -15.978
204 HH12 ARG 23 2HH1 ARG 23 -21.064 -0.839 -17.652
205 HH21 ARG 23 1HH2 ARG 23 -19.590 2.351 -17.846
206 HH22 ARG 23 2HH2 ARG 23 -19.978 0.898 -18.720
207 H SER 24 H SER 24 -23.853 3.526 -9.443
208 HA SER 24 HA SER 24 -22.914 2.487 -7.035
209 HB2 SER 24 1HB SER 24 -25.749 3.258 -7.742
210 HB3 SER 24 2HB SER 24 -25.059 3.173 -6.121
211 HG SER 24 HG SER 24 -23.914 4.961 -6.475
212 H ARG 25 H ARG 25 -23.014 0.575 -6.127
213 HA ARG 25 HA ARG 25 -24.906 -1.427 -7.165
214 HB2 ARG 25 1HB ARG 25 -22.471 -1.799 -5.399
215 HB3 ARG 25 2HB ARG 25 -23.486 -3.085 -6.036
216 HG2 ARG 25 1HG ARG 25 -22.814 -2.525 -8.300
217 HG3 ARG 25 2HG ARG 25 -21.837 -1.187 -7.693
218 HD2 ARG 25 1HD ARG 25 -20.498 -2.813 -6.394
219 HD3 ARG 25 2HD ARG 25 -21.431 -4.121 -7.122
220 HE ARG 25 HE ARG 25 -20.468 -2.693 -9.241
221 HH11 ARG 25 1HH1 ARG 25 -19.057 -4.383 -6.518
222 HH12 ARG 25 2HH1 ARG 25 -17.557 -4.702 -7.332
223 HH21 ARG 25 1HH2 ARG 25 -18.483 -3.105 -10.311
224 HH22 ARG 25 2HH2 ARG 25 -17.213 -3.944 -9.478
225 H GLN 26 H GLN 26 -25.430 -3.046 -5.167
226 HA GLN 26 HA GLN 26 -26.765 -1.383 -3.202
227 HB2 GLN 26 1HB GLN 26 -27.889 -3.372 -4.177
228 HB3 GLN 26 2HB GLN 26 -26.677 -4.398 -3.421
229 HG2 GLN 26 1HG GLN 26 -27.394 -3.601 -1.216
230 HG3 GLN 26 2HG GLN 26 -28.634 -2.615 -1.990
231 HE21 GLN 26 2HE2 GLN 26 -28.904 -4.764 -0.057
232 HE22 GLN 26 1HE2 GLN 26 -29.934 -5.944 -0.799
233 H GLN 27 H GLN 27 -24.141 -3.704 -3.377
234 HA GLN 27 HA GLN 27 -23.284 -2.861 -0.690
235 HB2 GLN 27 1HB GLN 27 -22.853 -5.556 -1.996
236 HB3 GLN 27 2HB GLN 27 -22.241 -5.074 -0.422
237 HG2 GLN 27 1HG GLN 27 -24.551 -4.837 0.380
238 HG3 GLN 27 2HG GLN 27 -25.134 -5.388 -1.192
239 HE21 GLN 27 2HE2 GLN 27 -25.486 -6.548 1.457
240 HE22 GLN 27 1HE2 GLN 27 -24.857 -8.159 1.372
241 H GLU 28 H GLU 28 -21.083 -2.464 -0.421
242 HA GLU 28 HA GLU 28 -19.333 -2.774 -2.729
243 HB2 GLU 28 1HB GLU 28 -20.437 -0.434 -2.668
244 HB3 GLU 28 2HB GLU 28 -19.412 -0.138 -1.270
245 HG2 GLU 28 1HG GLU 28 -17.442 -0.705 -2.692
246 HG3 GLU 28 2HG GLU 28 -18.534 -0.772 -4.074
247 H VAL 29 H VAL 29 -17.032 -1.900 -1.950
248 HA VAL 29 HA VAL 29 -16.434 -3.496 0.394
249 HB VAL 29 HB VAL 29 -14.432 -1.958 -1.261
250 HG11 VAL 29 1HG1 VAL 29 -13.610 -2.951 0.817
251 HG12 VAL 29 2HG1 VAL 29 -12.907 -3.744 -0.592
252 HG13 VAL 29 3HG1 VAL 29 -14.208 -4.529 0.304
253 HG21 VAL 29 3HG2 VAL 29 -15.814 -3.228 -2.814
254 HG22 VAL 29 1HG2 VAL 29 -15.561 -4.691 -1.862
255 HG23 VAL 29 2HG2 VAL 29 -14.202 -3.934 -2.694
256 H SER 30 H SER 30 -17.477 -0.452 0.039
257 HA SER 30 HA SER 30 -15.673 0.762 1.991
258 HB2 SER 30 1HB SER 30 -17.979 2.016 0.479
259 HB3 SER 30 2HB SER 30 -16.765 2.863 1.440
260 HG SER 30 HG SER 30 -16.646 2.030 -1.138
261 HA PRO 31 HA PRO 31 -18.852 -0.354 4.993
262 HB2 PRO 31 1HB PRO 31 -16.909 0.100 7.054
263 HB3 PRO 31 2HB PRO 31 -17.512 -1.442 6.450
264 HG2 PRO 31 1HG PRO 31 -14.931 -0.531 6.122
265 HG3 PRO 31 2HG PRO 31 -15.709 -1.747 5.094
266 HD2 PRO 31 1HD PRO 31 -15.298 1.175 4.599
267 HD3 PRO 31 2HD PRO 31 -15.190 -0.188 3.465
268 H ALA 32 H ALA 32 -19.265 0.676 7.315
269 HA ALA 32 HA ALA 32 -20.027 3.387 6.808
270 HB1 ALA 32 3HB ALA 32 -21.071 3.288 9.002
271 HB2 ALA 32 1HB ALA 32 -20.228 1.779 9.349
272 HB3 ALA 32 2HB ALA 32 -21.438 1.839 8.068
273 H GLY 33 H GLY 33 -17.062 2.609 7.196
274 HA2 GLY 33 1HA GLY 33 -16.289 4.240 9.462
275 HA3 GLY 33 2HA GLY 33 -15.205 3.464 8.313
276 H THR 34 H THR 34 -16.634 4.581 6.009
277 HA THR 34 HA THR 34 -16.650 7.399 6.131
278 HB THR 34 HB THR 34 -14.220 7.159 6.351
279 HG1 THR 34 HG1 THR 34 -14.358 8.932 5.214
280 HG21 THR 34 3HG2 THR 34 -13.920 4.995 5.264
281 HG22 THR 34 1HG2 THR 34 -12.874 6.211 4.529
282 HG23 THR 34 2HG2 THR 34 -14.350 5.703 3.707
283 H SER 35 H SER 35 -17.483 8.286 4.269
284 HA SER 35 HA SER 35 -18.390 6.384 2.246
285 HB2 SER 35 1HB SER 35 -19.754 8.375 1.470
286 HB3 SER 35 2HB SER 35 -20.110 7.822 3.107
287 HG SER 35 HG SER 35 -19.859 10.130 2.913
288 H MET 36 H MET 36 -15.724 8.127 2.743
289 HA MET 36 HA MET 36 -15.398 9.023 -0.027
290 HB2 MET 36 1HB MET 36 -13.761 9.560 2.457
291 HB3 MET 36 2HB MET 36 -13.343 10.141 0.850
292 HG2 MET 36 1HG MET 36 -15.271 11.519 0.750
293 HG3 MET 36 2HG MET 36 -15.949 10.781 2.200
294 HE1 MET 36 3HE MET 36 -13.637 12.135 5.016
295 HE2 MET 36 1HE MET 36 -13.524 10.597 4.162
296 HE3 MET 36 2HE MET 36 -15.102 11.227 4.638
297 H ARG 37 H ARG 37 -13.033 8.700 -0.827
298 HA ARG 37 HA ARG 37 -12.356 5.887 -0.315
299 HB2 ARG 37 1HB ARG 37 -12.150 7.466 -2.885
300 HB3 ARG 37 2HB ARG 37 -11.480 5.857 -2.663
301 HG2 ARG 37 1HG ARG 37 -14.402 6.512 -2.339
302 HG3 ARG 37 2HG ARG 37 -13.680 5.921 -3.835
303 HD2 ARG 37 1HD ARG 37 -14.694 4.085 -2.612
304 HD3 ARG 37 2HD ARG 37 -12.944 3.889 -2.663
305 HE ARG 37 HE ARG 37 -14.263 5.042 -0.294
306 HH11 ARG 37 1HH1 ARG 37 -12.350 2.503 -1.757
307 HH12 ARG 37 2HH1 ARG 37 -11.739 1.913 -0.245
308 HH21 ARG 37 1HH2 ARG 37 -13.482 4.262 1.698
309 HH22 ARG 37 2HH2 ARG 37 -12.393 2.909 1.722
310 H TYR 38 H TYR 38 -10.325 5.365 0.163
311 HA TYR 38 HA TYR 38 -8.257 7.443 -0.036
312 HB2 TYR 38 1HB TYR 38 -8.712 5.485 2.227
313 HB3 TYR 38 2HB TYR 38 -7.258 6.461 2.050
314 HD1 TYR 38 HD1 TYR 38 -7.456 8.966 2.167
315 HD2 TYR 38 HD2 TYR 38 -10.668 6.376 3.211
316 HE1 TYR 38 HE1 TYR 38 -8.530 10.801 3.395
317 HE2 TYR 38 HE2 TYR 38 -11.752 8.211 4.438
318 HH TYR 38 HH TYR 38 -10.772 11.448 4.129
319 H GLU 39 H GLU 39 -6.336 6.797 -0.821
320 HA GLU 39 HA GLU 39 -5.982 3.943 -1.442
321 HB2 GLU 39 1HB GLU 39 -5.157 6.264 -3.198
322 HB3 GLU 39 2HB GLU 39 -4.999 4.555 -3.574
323 HG2 GLU 39 1HG GLU 39 -7.382 4.311 -3.719
324 HG3 GLU 39 2HG GLU 39 -7.621 5.972 -3.177
325 H ALA 40 H ALA 40 -3.700 3.344 -1.742
326 HA ALA 40 HA ALA 40 -1.905 5.109 -0.206
327 HB1 ALA 40 3HB ALA 40 -1.870 2.094 -0.306
328 HB2 ALA 40 1HB ALA 40 -2.452 3.078 1.037
329 HB3 ALA 40 2HB ALA 40 -0.747 3.115 0.590
330 H SER 41 H SER 41 -0.059 5.709 -1.136
331 HA SER 41 HA SER 41 0.582 4.608 -3.778
332 HB2 SER 41 1HB SER 41 0.281 7.089 -3.515
333 HB3 SER 41 2HB SER 41 1.682 7.101 -2.444
334 HG SER 41 HG SER 41 2.937 6.337 -4.194
335 H PHE 42 H PHE 42 2.051 3.053 -3.816
336 HA PHE 42 HA PHE 42 4.072 2.942 -1.682
337 HB2 PHE 42 1HB PHE 42 3.184 0.795 -3.626
338 HB3 PHE 42 2HB PHE 42 4.375 0.586 -2.347
339 HD1 PHE 42 HD2 PHE 42 3.623 0.887 0.049
340 HD2 PHE 42 HD1 PHE 42 0.907 0.514 -3.205
341 HE1 PHE 42 HE2 PHE 42 1.834 0.272 1.621
342 HE2 PHE 42 HE1 PHE 42 -0.890 -0.101 -1.638
343 HZ PHE 42 HZ PHE 42 -0.426 -0.223 0.777
344 H LYS 43 H LYS 43 6.094 3.457 -2.117
345 HA LYS 43 HA LYS 43 6.849 3.982 -4.892
346 HB2 LYS 43 1HB LYS 43 7.199 5.784 -3.310
347 HB3 LYS 43 2HB LYS 43 8.139 4.733 -2.262
348 HG2 LYS 43 1HG LYS 43 9.832 4.530 -4.052
349 HG3 LYS 43 2HG LYS 43 8.909 5.681 -5.016
350 HD2 LYS 43 1HD LYS 43 9.746 6.404 -2.240
351 HD3 LYS 43 2HD LYS 43 10.914 6.494 -3.555
352 HE2 LYS 43 1HE LYS 43 9.898 8.655 -3.232
353 HE3 LYS 43 2HE LYS 43 9.390 7.986 -4.779
354 HZ1 LYS 43 3HZ LYS 43 7.258 7.505 -3.935
355 HZ2 LYS 43 1HZ LYS 43 7.613 9.078 -3.418
356 HZ3 LYS 43 2HZ LYS 43 7.728 7.783 -2.334
357 HA PRO 44 HA PRO 44 9.377 0.266 -4.860
358 HB2 PRO 44 1HB PRO 44 10.182 1.066 -7.541
359 HB3 PRO 44 2HB PRO 44 9.209 -0.319 -7.042
360 HG2 PRO 44 1HG PRO 44 8.185 1.783 -8.420
361 HG3 PRO 44 2HG PRO 44 7.233 0.817 -7.279
362 HD2 PRO 44 1HD PRO 44 8.522 3.493 -6.876
363 HD3 PRO 44 2HD PRO 44 6.919 2.922 -6.359
364 H LEU 45 H LEU 45 11.180 0.440 -3.705
365 HA LEU 45 HA LEU 45 12.987 2.589 -3.740
366 HB2 LEU 45 1HB LEU 45 13.249 -0.239 -2.737
367 HB3 LEU 45 2HB LEU 45 14.480 0.984 -2.480
368 HG LEU 45 HG LEU 45 11.637 1.327 -1.547
369 HD11 LEU 45 1HD1 LEU 45 13.994 0.253 -0.004
370 HD12 LEU 45 2HD1 LEU 45 12.576 -0.671 -0.503
371 HD13 LEU 45 3HD1 LEU 45 12.409 0.644 0.663
372 HD21 LEU 45 3HD2 LEU 45 12.963 3.366 -1.780
373 HD22 LEU 45 1HD2 LEU 45 14.232 2.662 -0.776
374 HD23 LEU 45 2HD2 LEU 45 12.646 3.005 -0.083
375 H ASN 46 H ASN 46 12.724 -0.112 -5.826
376 HA ASN 46 HA ASN 46 15.517 0.147 -6.681
377 HB2 ASN 46 1HB ASN 46 13.528 -2.096 -7.098
378 HB3 ASN 46 2HB ASN 46 15.147 -2.070 -7.789
379 HD21 ASN 46 2HD2 ASN 46 16.882 -2.533 -6.516
380 HD22 ASN 46 1HD2 ASN 46 16.746 -3.078 -4.873
381 H GLY 47 H GLY 47 13.212 1.868 -7.385
382 HA2 GLY 47 1HA GLY 47 12.828 3.143 -9.294
383 HA3 GLY 47 2HA GLY 47 13.744 1.968 -10.227
384 H GLY 48 H GLY 48 10.982 3.301 -10.417
385 HA2 GLY 48 1HA GLY 48 9.637 1.706 -12.036
386 HA3 GLY 48 2HA GLY 48 9.262 0.949 -10.494
387 H LEU 49 H LEU 49 7.192 1.846 -11.921
388 HA LEU 49 HA LEU 49 6.442 4.505 -11.099
389 HB2 LEU 49 1HB LEU 49 5.640 3.557 -13.221
390 HB3 LEU 49 2HB LEU 49 4.817 2.280 -12.344
391 HG LEU 49 HG LEU 49 3.367 3.994 -11.282
392 HD11 LEU 49 1HD1 LEU 49 4.869 5.906 -11.455
393 HD12 LEU 49 2HD1 LEU 49 3.313 6.249 -12.210
394 HD13 LEU 49 3HD1 LEU 49 4.716 5.875 -13.213
395 HD21 LEU 49 3HD2 LEU 49 3.369 3.996 -14.298
396 HD22 LEU 49 1HD2 LEU 49 2.007 4.422 -13.262
397 HD23 LEU 49 2HD2 LEU 49 2.630 2.772 -13.263
398 H GLU 50 H GLU 50 5.397 5.050 -9.286
399 HA GLU 50 HA GLU 50 5.144 3.277 -7.139
400 HB2 GLU 50 1HB GLU 50 3.826 5.963 -7.565
401 HB3 GLU 50 2HB GLU 50 3.860 5.095 -6.036
402 HG2 GLU 50 1HG GLU 50 6.333 5.187 -6.096
403 HG3 GLU 50 2HG GLU 50 6.222 6.181 -7.548
404 H LYS 51 H LYS 51 3.465 2.172 -6.271
405 HA LYS 51 HA LYS 51 1.264 1.643 -8.120
406 HB2 LYS 51 1HB LYS 51 2.157 0.129 -5.659
407 HB3 LYS 51 2HB LYS 51 0.898 -0.383 -6.775
408 HG2 LYS 51 1HG LYS 51 2.569 -0.471 -8.579
409 HG3 LYS 51 2HG LYS 51 3.818 -0.044 -7.413
410 HD2 LYS 51 1HD LYS 51 3.371 -2.080 -6.158
411 HD3 LYS 51 2HD LYS 51 2.068 -2.495 -7.275
412 HE2 LYS 51 1HE LYS 51 4.988 -2.221 -7.972
413 HE3 LYS 51 2HE LYS 51 4.097 -3.733 -7.810
414 HZ1 LYS 51 3HZ LYS 51 2.707 -3.089 -9.666
415 HZ2 LYS 51 1HZ LYS 51 4.339 -3.059 -10.128
416 HZ3 LYS 51 2HZ LYS 51 3.524 -1.609 -9.814
417 H THR 52 H THR 52 -0.859 1.913 -7.600
418 HA THR 52 HA THR 52 -1.417 3.176 -4.996
419 HB THR 52 HB THR 52 -2.808 3.857 -7.593
420 HG1 THR 52 HG1 THR 52 -0.384 4.563 -6.855
421 HG21 THR 52 3HG2 THR 52 -2.823 5.177 -4.875
422 HG22 THR 52 1HG2 THR 52 -4.142 4.247 -5.585
423 HG23 THR 52 2HG2 THR 52 -3.652 5.777 -6.312
424 H PHE 53 H PHE 53 -2.706 1.936 -3.825
425 HA PHE 53 HA PHE 53 -4.778 0.355 -5.206
426 HB2 PHE 53 1HB PHE 53 -3.289 -0.343 -2.662
427 HB3 PHE 53 2HB PHE 53 -4.605 -1.281 -3.359
428 HD1 PHE 53 HD1 PHE 53 -4.274 -2.307 -5.641
429 HD2 PHE 53 HD2 PHE 53 -1.080 -0.652 -3.366
430 HE1 PHE 53 HE1 PHE 53 -2.658 -3.572 -6.995
431 HE2 PHE 53 HE2 PHE 53 0.542 -1.910 -4.722
432 HZ PHE 53 HZ PHE 53 -0.247 -3.373 -6.538
433 H ARG 54 H ARG 54 -6.831 0.536 -4.479
434 HA ARG 54 HA ARG 54 -7.426 2.678 -2.650
435 HB2 ARG 54 1HB ARG 54 -9.260 0.752 -4.097
436 HB3 ARG 54 2HB ARG 54 -9.795 2.142 -3.163
437 HG2 ARG 54 1HG ARG 54 -8.496 3.597 -4.709
438 HG3 ARG 54 2HG ARG 54 -8.162 2.169 -5.690
439 HD2 ARG 54 1HD ARG 54 -10.924 3.167 -5.006
440 HD3 ARG 54 2HD ARG 54 -10.075 3.540 -6.504
441 HE ARG 54 HE ARG 54 -10.014 0.930 -6.661
442 HH11 ARG 54 1HH1 ARG 54 -12.645 2.928 -5.500
443 HH12 ARG 54 2HH1 ARG 54 -13.891 1.826 -6.001
444 HH21 ARG 54 1HH2 ARG 54 -11.641 -0.518 -7.353
445 HH22 ARG 54 2HH2 ARG 54 -13.309 -0.136 -7.066
446 H LEU 55 H LEU 55 -8.153 2.528 -0.589
447 HA LEU 55 HA LEU 55 -8.229 -0.179 0.574
448 HB2 LEU 55 1HB LEU 55 -6.894 2.295 1.668
449 HB3 LEU 55 2HB LEU 55 -7.095 0.800 2.566
450 HG LEU 55 HG LEU 55 -5.462 1.137 0.046
451 HD11 LEU 55 1HD1 LEU 55 -4.628 0.723 2.915
452 HD12 LEU 55 2HD1 LEU 55 -4.448 2.210 1.984
453 HD13 LEU 55 3HD1 LEU 55 -3.547 0.765 1.521
454 HD21 LEU 55 3HD2 LEU 55 -6.443 -1.089 0.194
455 HD22 LEU 55 1HD2 LEU 55 -5.835 -1.261 1.840
456 HD23 LEU 55 2HD2 LEU 55 -4.706 -1.149 0.490
457 H GLN 56 H GLN 56 -9.203 -0.241 2.746
458 HA GLN 56 HA GLN 56 -11.526 1.504 3.014
459 HB2 GLN 56 1HB GLN 56 -10.600 -0.834 4.702
460 HB3 GLN 56 2HB GLN 56 -12.108 0.037 4.922
461 HG2 GLN 56 1HG GLN 56 -12.905 -0.729 2.775
462 HG3 GLN 56 2HG GLN 56 -11.363 -1.528 2.464
463 HE21 GLN 56 2HE2 GLN 56 -14.102 -2.614 2.669
464 HE22 GLN 56 1HE2 GLN 56 -14.012 -3.855 3.881
465 H ALA 57 H ALA 57 -11.969 2.203 5.394
466 HA ALA 57 HA ALA 57 -9.908 3.926 6.264
467 HB1 ALA 57 3HB ALA 57 -11.342 4.376 8.187
468 HB2 ALA 57 1HB ALA 57 -12.348 2.988 7.774
469 HB3 ALA 57 2HB ALA 57 -12.275 4.378 6.690
470 H GLN 58 H GLN 58 -11.090 0.823 7.472
471 HA GLN 58 HA GLN 58 -9.321 0.672 9.680
472 HB2 GLN 58 1HB GLN 58 -10.818 -1.523 8.234
473 HB3 GLN 58 2HB GLN 58 -10.058 -1.676 9.814
474 HG2 GLN 58 1HG GLN 58 -11.568 -0.015 10.731
475 HG3 GLN 58 2HG GLN 58 -12.297 0.224 9.146
476 HE21 GLN 58 2HE2 GLN 58 -13.525 -0.588 11.649
477 HE22 GLN 58 1HE2 GLN 58 -14.262 -2.127 11.358
478 H GLN 59 H GLN 59 -8.983 -0.019 6.320
479 HA GLN 59 HA GLN 59 -6.600 -1.628 6.659
480 HB2 GLN 59 1HB GLN 59 -7.756 -0.372 4.163
481 HB3 GLN 59 2HB GLN 59 -6.451 -1.549 4.211
482 HG2 GLN 59 1HG GLN 59 -7.979 -3.213 5.135
483 HG3 GLN 59 2HG GLN 59 -9.288 -2.030 5.102
484 HE21 GLN 59 2HE2 GLN 59 -9.147 -4.586 3.769
485 HE22 GLN 59 1HE2 GLN 59 -9.280 -4.263 2.071
486 H TYR 60 H TYR 60 -7.500 1.668 6.012
487 HA TYR 60 HA TYR 60 -4.945 2.674 5.323
488 HB2 TYR 60 1HB TYR 60 -7.180 3.790 4.932
489 HB3 TYR 60 2HB TYR 60 -7.218 4.169 6.648
490 HD1 TYR 60 HD1 TYR 60 -5.191 4.685 3.571
491 HD2 TYR 60 HD2 TYR 60 -6.239 6.140 7.430
492 HE1 TYR 60 HE1 TYR 60 -3.961 6.764 3.114
493 HE2 TYR 60 HE2 TYR 60 -5.009 8.221 6.983
494 HH TYR 60 HH TYR 60 -3.221 9.035 5.540
495 H HIS 61 H HIS 61 -6.467 1.825 8.299
496 HA HIS 61 HA HIS 61 -4.596 3.215 9.996
497 HB2 HIS 61 1HB HIS 61 -6.873 1.339 10.417
498 HB3 HIS 61 2HB HIS 61 -5.672 1.469 11.695
499 HD1 HIS 61 HD1 HIS 61 -6.161 3.187 13.378
500 HD2 HIS 61 HD2 HIS 61 -7.927 4.076 9.714
501 HE1 HIS 61 HE1 HIS 61 -7.505 5.277 13.761
502 HE2 HIS 61 HE2 HIS 61 -8.672 5.723 11.574
503 H ALA 62 H ALA 62 -4.360 0.475 8.100
504 HA ALA 62 HA ALA 62 -2.825 -1.094 10.017
505 HB1 ALA 62 3HB ALA 62 -4.518 -2.230 8.674
506 HB2 ALA 62 1HB ALA 62 -2.906 -2.871 8.360
507 HB3 ALA 62 2HB ALA 62 -3.659 -1.774 7.202
508 H LEU 63 H LEU 63 -2.162 1.270 7.737
509 HA LEU 63 HA LEU 63 0.641 0.475 7.751
510 HB2 LEU 63 1HB LEU 63 0.711 1.356 5.293
511 HB3 LEU 63 2HB LEU 63 0.284 -0.306 5.641
512 HG LEU 63 HG LEU 63 -2.162 0.519 5.520
513 HD11 LEU 63 1HD1 LEU 63 -2.524 2.421 4.040
514 HD12 LEU 63 2HD1 LEU 63 -0.792 2.748 4.036
515 HD13 LEU 63 3HD1 LEU 63 -1.715 2.906 5.530
516 HD21 LEU 63 3HD2 LEU 63 -0.435 0.399 3.058
517 HD22 LEU 63 1HD2 LEU 63 -2.186 0.201 3.095
518 HD23 LEU 63 2HD2 LEU 63 -1.148 -0.976 3.901
519 H THR 64 H THR 64 2.104 2.118 7.782
520 HA THR 64 HA THR 64 0.935 4.780 8.272
521 HB THR 64 HB THR 64 3.548 3.669 9.323
522 HG1 THR 64 HG1 THR 64 1.277 2.845 10.043
523 HG21 THR 64 3HG2 THR 64 3.457 5.555 10.880
524 HG22 THR 64 1HG2 THR 64 1.966 6.118 10.124
525 HG23 THR 64 2HG2 THR 64 3.475 6.121 9.210
526 H VAL 65 H VAL 65 1.718 6.542 7.231
527 HA VAL 65 HA VAL 65 3.234 6.256 4.861
528 HB VAL 65 HB VAL 65 2.506 8.708 6.472
529 HG11 VAL 65 1HG1 VAL 65 4.516 9.190 5.176
530 HG12 VAL 65 2HG1 VAL 65 3.119 10.023 4.494
531 HG13 VAL 65 3HG1 VAL 65 3.740 8.564 3.720
532 HG21 VAL 65 3HG2 VAL 65 1.413 7.560 3.909
533 HG22 VAL 65 1HG2 VAL 65 0.871 9.049 4.684
534 HG23 VAL 65 2HG2 VAL 65 0.634 7.498 5.491
535 H GLY 66 H GLY 66 5.349 6.298 4.497
536 HA2 GLY 66 1HA GLY 66 7.594 6.911 4.885
537 HA3 GLY 66 2HA GLY 66 7.167 7.353 6.532
538 H ASP 67 H ASP 67 5.656 4.742 6.759
539 HA ASP 67 HA ASP 67 7.885 3.304 7.865
540 HB2 ASP 67 1HB ASP 67 5.718 3.347 9.029
541 HB3 ASP 67 2HB ASP 67 4.976 2.495 7.679
542 H GLN 68 H GLN 68 9.183 2.649 6.247
543 HA GLN 68 HA GLN 68 8.460 1.263 3.924
544 HB2 GLN 68 1HB GLN 68 10.966 0.784 5.542
545 HB3 GLN 68 2HB GLN 68 10.746 0.512 3.822
546 HG2 GLN 68 1HG GLN 68 10.535 2.907 3.458
547 HG3 GLN 68 2HG GLN 68 10.722 3.192 5.188
548 HE21 GLN 68 2HE2 GLN 68 12.360 4.140 2.982
549 HE22 GLN 68 1HE2 GLN 68 13.959 3.555 3.287
550 H GLY 69 H GLY 69 7.740 -0.770 3.578
551 HA2 GLY 69 1HA GLY 69 8.292 -2.898 5.447
552 HA3 GLY 69 2HA GLY 69 6.625 -2.340 5.489
553 H THR 70 H THR 70 6.888 -4.871 4.877
554 HA THR 70 HA THR 70 7.361 -5.301 2.065
555 HB THR 70 HB THR 70 6.325 -7.261 4.124
556 HG1 THR 70 HG1 THR 70 8.847 -7.750 3.693
557 HG21 THR 70 3HG2 THR 70 7.753 -7.687 1.495
558 HG22 THR 70 1HG2 THR 70 6.039 -7.975 1.794
559 HG23 THR 70 2HG2 THR 70 7.255 -8.952 2.618
560 H LEU 71 H LEU 71 5.848 -5.736 0.518
561 HA LEU 71 HA LEU 71 3.026 -5.484 1.324
562 HB2 LEU 71 1HB LEU 71 3.815 -3.584 -0.005
563 HB3 LEU 71 2HB LEU 71 4.357 -4.677 -1.264
564 HG LEU 71 HG LEU 71 2.013 -5.351 -1.667
565 HD11 LEU 71 1HD1 LEU 71 0.203 -4.060 -0.658
566 HD12 LEU 71 2HD1 LEU 71 1.372 -3.206 0.348
567 HD13 LEU 71 3HD1 LEU 71 1.127 -4.939 0.561
568 HD21 LEU 71 3HD2 LEU 71 3.001 -3.575 -3.000
569 HD22 LEU 71 1HD2 LEU 71 2.523 -2.382 -1.792
570 HD23 LEU 71 2HD2 LEU 71 1.292 -3.253 -2.707
571 H SER 72 H SER 72 1.747 -7.144 0.898
572 HA SER 72 HA SER 72 2.756 -9.325 -0.807
573 HB2 SER 72 1HB SER 72 0.524 -9.360 1.240
574 HB3 SER 72 2HB SER 72 1.222 -10.752 0.414
575 HG SER 72 HG SER 72 2.784 -9.011 1.998
576 H TYR 73 H TYR 73 1.963 -9.311 -2.805
577 HA TYR 73 HA TYR 73 -0.901 -8.899 -3.156
578 HB2 TYR 73 1HB TYR 73 -0.580 -7.371 -5.054
579 HB3 TYR 73 2HB TYR 73 0.039 -6.683 -3.559
580 HD1 TYR 73 HD2 TYR 73 2.482 -6.455 -3.219
581 HD2 TYR 73 HD1 TYR 73 0.873 -7.873 -6.893
582 HE1 TYR 73 HE2 TYR 73 4.636 -6.022 -4.325
583 HE2 TYR 73 HE1 TYR 73 3.020 -7.442 -8.006
584 HH TYR 73 HH TYR 73 4.994 -6.123 -7.750
585 H LYS 74 H LYS 74 -1.612 -9.530 -5.353
586 HA LYS 74 HA LYS 74 0.189 -11.473 -6.631
587 HB2 LYS 74 1HB LYS 74 -2.746 -11.909 -6.022
588 HB3 LYS 74 2HB LYS 74 -1.737 -12.991 -6.969
589 HG2 LYS 74 1HG LYS 74 -0.424 -13.558 -5.064
590 HG3 LYS 74 2HG LYS 74 -1.193 -12.300 -4.093
591 HD2 LYS 74 1HD LYS 74 -3.359 -13.490 -4.375
592 HD3 LYS 74 2HD LYS 74 -2.494 -14.786 -5.203
593 HE2 LYS 74 1HE LYS 74 -1.196 -15.242 -3.226
594 HE3 LYS 74 2HE LYS 74 -1.906 -13.856 -2.397
595 HZ1 LYS 74 3HZ LYS 74 -3.297 -16.340 -3.237
596 HZ2 LYS 74 1HZ LYS 74 -4.087 -14.970 -2.622
597 HZ3 LYS 74 2HZ LYS 74 -2.992 -15.822 -1.650
598 H GLY 75 H GLY 75 0.526 -10.724 -8.624
599 HA2 GLY 75 1HA GLY 75 0.094 -9.819 -10.700
600 HA3 GLY 75 2HA GLY 75 -1.624 -9.998 -10.359
601 H THR 76 H THR 76 -2.728 -8.157 -10.218
602 HA THR 76 HA THR 76 -1.280 -5.766 -9.298
603 HB THR 76 HB THR 76 -3.003 -4.451 -10.567
604 HG1 THR 76 HG1 THR 76 -4.661 -5.758 -11.031
605 HG21 THR 76 3HG2 THR 76 -1.979 -4.832 -12.770
606 HG22 THR 76 1HG2 THR 76 -1.287 -6.343 -12.180
607 HG23 THR 76 2HG2 THR 76 -0.771 -4.806 -11.486
608 H ARG 77 H ARG 77 -3.051 -7.958 -7.943
609 HA ARG 77 HA ARG 77 -5.057 -6.147 -6.800
610 HB2 ARG 77 1HB ARG 77 -5.940 -8.249 -7.698
611 HB3 ARG 77 2HB ARG 77 -4.890 -9.159 -6.618
612 HG2 ARG 77 1HG ARG 77 -6.065 -8.385 -4.696
613 HG3 ARG 77 2HG ARG 77 -6.981 -7.221 -5.653
614 HD2 ARG 77 1HD ARG 77 -8.357 -9.139 -5.108
615 HD3 ARG 77 2HD ARG 77 -8.068 -9.064 -6.842
616 HE ARG 77 HE ARG 77 -6.174 -10.755 -6.184
617 HH11 ARG 77 1HH1 ARG 77 -9.436 -10.595 -4.909
618 HH12 ARG 77 2HH1 ARG 77 -9.554 -12.305 -4.645
619 HH21 ARG 77 1HH2 ARG 77 -6.331 -12.999 -5.845
620 HH22 ARG 77 2HH2 ARG 77 -7.790 -13.674 -5.179
621 H PHE 78 H PHE 78 -4.855 -5.370 -4.863
622 HA PHE 78 HA PHE 78 -2.623 -5.843 -3.184
623 HB2 PHE 78 1HB PHE 78 -3.923 -3.707 -3.349
624 HB3 PHE 78 2HB PHE 78 -5.260 -4.499 -2.532
625 HD1 PHE 78 HD2 PHE 78 -5.102 -5.052 -0.145
626 HD2 PHE 78 HD1 PHE 78 -2.001 -2.943 -2.158
627 HE1 PHE 78 HE2 PHE 78 -4.200 -4.313 2.023
628 HE2 PHE 78 HE1 PHE 78 -1.100 -2.198 0.005
629 HZ PHE 78 HZ PHE 78 -2.199 -2.874 2.100
630 H VAL 79 H VAL 79 -2.336 -7.578 -1.909
631 HA VAL 79 HA VAL 79 -4.686 -9.073 -1.011
632 HB VAL 79 HB VAL 79 -1.757 -9.820 -0.845
633 HG11 VAL 79 1HG1 VAL 79 -3.056 -10.860 0.938
634 HG12 VAL 79 2HG1 VAL 79 -2.569 -12.060 -0.261
635 HG13 VAL 79 3HG1 VAL 79 -4.224 -11.451 -0.244
636 HG21 VAL 79 3HG2 VAL 79 -2.569 -9.760 -3.140
637 HG22 VAL 79 1HG2 VAL 79 -3.930 -10.791 -2.697
638 HG23 VAL 79 2HG2 VAL 79 -2.285 -11.421 -2.621
639 H GLY 80 H GLY 80 -1.712 -7.612 0.292
640 HA2 GLY 80 1HA GLY 80 -2.979 -6.464 2.503
641 HA3 GLY 80 2HA GLY 80 -2.351 -8.026 3.007
642 H PHE 81 H PHE 81 -1.594 -5.265 3.778
643 HA PHE 81 HA PHE 81 1.178 -5.165 2.854
644 HB2 PHE 81 1HB PHE 81 -0.155 -3.059 2.936
645 HB3 PHE 81 2HB PHE 81 -0.313 -3.257 4.677
646 HD1 PHE 81 HD1 PHE 81 2.122 -2.709 1.949
647 HD2 PHE 81 HD2 PHE 81 1.389 -2.535 6.138
648 HE1 PHE 81 HE1 PHE 81 4.232 -1.482 2.264
649 HE2 PHE 81 HE2 PHE 81 3.498 -1.310 6.459
650 HZ PHE 81 HZ PHE 81 4.922 -0.782 4.521
651 H VAL 82 H VAL 82 2.845 -5.827 4.105
652 HA VAL 82 HA VAL 82 2.196 -6.639 6.861
653 HB VAL 82 HB VAL 82 4.044 -8.121 4.977
654 HG11 VAL 82 1HG1 VAL 82 4.733 -8.282 7.306
655 HG12 VAL 82 2HG1 VAL 82 4.101 -9.825 6.733
656 HG13 VAL 82 3HG1 VAL 82 3.109 -8.796 7.765
657 HG21 VAL 82 3HG2 VAL 82 2.364 -9.888 4.976
658 HG22 VAL 82 1HG2 VAL 82 1.701 -8.388 4.329
659 HG23 VAL 82 2HG2 VAL 82 1.301 -8.893 5.971
660 H SER 83 H SER 83 3.090 -4.847 7.806
661 HA SER 83 HA SER 83 5.886 -4.231 7.310
662 HB2 SER 83 1HB SER 83 4.360 -2.347 7.684
663 HB3 SER 83 2HB SER 83 3.896 -3.016 9.250
664 HG SER 83 HG SER 83 5.767 -1.306 8.879
665 H ARG 84 H ARG 84 7.455 -4.296 9.044
666 HA ARG 84 HA ARG 84 6.832 -6.413 10.975
667 HB2 ARG 84 1HB ARG 84 8.830 -6.549 9.292
668 HB3 ARG 84 2HB ARG 84 9.626 -5.461 10.424
669 HG2 ARG 84 1HG ARG 84 9.671 -7.037 12.114
670 HG3 ARG 84 2HG ARG 84 8.360 -7.983 11.409
671 HD2 ARG 84 1HD ARG 84 10.325 -9.236 11.061
672 HD3 ARG 84 2HD ARG 84 9.933 -8.510 9.506
673 HE ARG 84 HE ARG 84 11.841 -7.059 11.153
674 HH11 ARG 84 1HH1 ARG 84 11.293 -9.295 8.513
675 HH12 ARG 84 2HH1 ARG 84 12.914 -9.170 7.899
676 HH21 ARG 84 1HH2 ARG 84 13.998 -6.911 10.363
677 HH22 ARG 84 2HH2 ARG 84 14.454 -7.812 8.950
678 H THR 85 H THR 85 6.631 -3.252 10.825
679 HA THR 85 HA THR 85 7.744 -2.571 13.408
680 HB THR 85 HB THR 85 5.823 -1.035 11.636
681 HG1 THR 85 HG1 THR 85 7.577 -0.129 10.741
682 HG21 THR 85 3HG2 THR 85 6.485 0.918 12.972
683 HG22 THR 85 1HG2 THR 85 7.458 -0.123 14.010
684 HG23 THR 85 2HG2 THR 85 5.705 -0.309 13.970
685 HA PRO 86 HA PRO 86 4.073 -4.515 15.101
686 HB2 PRO 86 1HB PRO 86 5.273 -4.479 17.696
687 HB3 PRO 86 2HB PRO 86 5.127 -5.839 16.583
688 HG2 PRO 86 1HG PRO 86 7.507 -4.632 17.300
689 HG3 PRO 86 2HG PRO 86 7.261 -5.604 15.840
690 HD2 PRO 86 1HD PRO 86 7.312 -2.633 16.156
691 HD3 PRO 86 2HD PRO 86 7.931 -3.644 14.832
692 H ASP 87 H ASP 87 2.257 -3.696 15.893
693 HA ASP 87 HA ASP 87 2.287 -1.908 18.144
694 HB2 ASP 87 1HB ASP 87 2.494 -0.334 16.209
695 HB3 ASP 87 2HB ASP 87 0.958 -0.949 15.599
696 H ASN 88 H ASN 88 0.601 -2.318 19.410
697 HA ASN 88 HA ASN 88 -1.473 -4.110 18.342
698 HB2 ASN 88 1HB ASN 88 -0.021 -4.781 20.338
699 HB3 ASN 88 2HB ASN 88 -0.875 -3.547 21.252
700 HD21 ASN 88 2HD2 ASN 88 -0.737 -6.437 21.603
701 HD22 ASN 88 1HD2 ASN 88 -2.375 -7.008 21.582
702 H GLU 89 H GLU 89 -0.907 -1.001 19.757
703 HA GLU 89 HA GLU 89 -2.233 0.729 20.394
704 HB2 GLU 89 1HB GLU 89 -3.010 0.385 18.001
705 HB3 GLU 89 2HB GLU 89 -4.360 -0.533 18.654
706 HG2 GLU 89 1HG GLU 89 -5.151 1.413 19.845
707 HG3 GLU 89 2HG GLU 89 -3.753 2.343 19.307
708 H LEU 90 H LEU 90 -2.111 -1.541 22.018
709 HA LEU 90 HA LEU 90 -4.781 -2.196 22.909
710 HB2 LEU 90 1HB LEU 90 -3.025 -3.923 22.848
711 HB3 LEU 90 2HB LEU 90 -2.086 -3.005 24.009
712 HG LEU 90 HG LEU 90 -3.886 -3.326 25.680
713 HD11 LEU 90 1HD1 LEU 90 -5.098 -5.117 23.580
714 HD12 LEU 90 2HD1 LEU 90 -5.765 -3.586 24.146
715 HD13 LEU 90 3HD1 LEU 90 -5.649 -4.960 25.248
716 HD21 LEU 90 3HD2 LEU 90 -1.977 -4.838 25.617
717 HD22 LEU 90 1HD2 LEU 90 -2.819 -5.866 24.458
718 HD23 LEU 90 2HD2 LEU 90 -3.443 -5.691 26.098
719 H GLU 91 H GLU 91 -5.517 -0.189 23.607
720 HA GLU 91 HA GLU 91 -4.205 1.174 25.775
721 HB2 GLU 91 1HB GLU 91 -5.735 2.256 24.044
722 HB3 GLU 91 2HB GLU 91 -7.078 1.491 24.880
723 HG2 GLU 91 1HG GLU 91 -6.548 2.712 26.906
724 HG3 GLU 91 2HG GLU 91 -5.147 3.439 26.120
725 H HIS 92 H HIS 92 -5.137 1.329 27.946
726 HA HIS 92 HA HIS 92 -6.016 -1.255 28.848
727 HB2 HIS 92 1HB HIS 92 -5.366 1.314 30.272
728 HB3 HIS 92 2HB HIS 92 -6.064 -0.061 31.128
729 HD1 HIS 92 HD1 HIS 92 -4.287 -1.343 32.276
730 HD2 HIS 92 HD2 HIS 92 -2.979 0.173 28.629
731 HE1 HIS 92 HE1 HIS 92 -1.916 -2.146 32.014
732 HE2 HIS 92 HE2 HIS 92 -1.184 -1.322 29.742
733 H HIS 93 H HIS 93 -7.645 1.049 27.364
734 HA HIS 93 HA HIS 93 -10.124 -0.126 28.377
735 HB2 HIS 93 1HB HIS 93 -9.691 2.787 27.692
736 HB3 HIS 93 2HB HIS 93 -11.289 2.050 27.744
737 HD1 HIS 93 HD1 HIS 93 -12.098 1.179 30.119
738 HD2 HIS 93 HD2 HIS 93 -8.646 3.504 30.124
739 HE1 HIS 93 HE1 HIS 93 -11.743 1.863 32.513
740 HE2 HIS 93 HE2 HIS 93 -9.530 3.077 32.517
741 H HIS 94 H HIS 94 -10.884 -1.346 26.800
742 HA HIS 94 HA HIS 94 -9.719 -1.389 24.238
743 HB2 HIS 94 1HB HIS 94 -10.986 -3.233 25.590
744 HB3 HIS 94 2HB HIS 94 -12.406 -2.606 24.762
745 HD1 HIS 94 HD1 HIS 94 -12.885 -3.676 22.563
746 HD2 HIS 94 HD2 HIS 94 -8.880 -4.003 23.637
747 HE1 HIS 94 HE1 HIS 94 -11.821 -5.115 20.796
748 HE2 HIS 94 HE2 HIS 94 -9.468 -5.504 21.618
749 H HIS 95 H HIS 95 -12.432 0.324 25.491
750 HA HIS 95 HA HIS 95 -12.624 1.738 22.951
751 HB2 HIS 95 1HB HIS 95 -14.772 0.142 24.135
752 HB3 HIS 95 2HB HIS 95 -15.242 1.812 23.826
753 HD1 HIS 95 HD1 HIS 95 -14.366 -1.373 22.106
754 HD2 HIS 95 HD2 HIS 95 -15.277 2.559 21.109
755 HE1 HIS 95 HE1 HIS 95 -14.764 -1.378 19.627
756 HE2 HIS 95 HE2 HIS 95 -15.473 0.975 19.070
757 H HIS 96 H HIS 96 -13.044 3.911 23.161
758 HA HIS 96 HA HIS 96 -12.245 4.970 25.696
759 HB2 HIS 96 1HB HIS 96 -12.995 6.319 23.099
760 HB3 HIS 96 2HB HIS 96 -12.436 7.188 24.526
761 HD1 HIS 96 HD1 HIS 96 -11.258 4.956 21.780
762 HD2 HIS 96 HD2 HIS 96 -9.704 6.908 25.099
763 HE1 HIS 96 HE1 HIS 96 -8.759 4.808 21.541
764 HE2 HIS 96 HE2 HIS 96 -7.875 5.691 23.732
765 H HIS 97 H HIS 97 -13.877 4.472 27.114
766 HA HIS 97 HA HIS 97 -16.084 6.396 27.044
767 HB2 HIS 97 1HB HIS 97 -16.314 3.440 27.609
768 HB3 HIS 97 2HB HIS 97 -17.492 4.594 28.224
769 HD1 HIS 97 HD1 HIS 97 -17.748 2.233 25.934
770 HD2 HIS 97 HD2 HIS 97 -17.852 6.366 25.460
771 HE1 HIS 97 HE1 HIS 97 -18.964 2.639 23.772
772 HE2 HIS 97 HE2 HIS 97 -19.188 5.142 23.608
Start of MODEL 3
1 H1 MET 1 1H MET 1 3.321 -23.703 -5.786
2 H2 MET 1 2H MET 1 1.983 -22.718 -6.124
3 H3 MET 1 3H MET 1 2.730 -22.636 -4.603
4 HA MET 1 HA MET 1 4.762 -21.818 -5.642
5 HB2 MET 1 1HB MET 1 3.018 -21.766 -8.116
6 HB3 MET 1 2HB MET 1 4.576 -20.965 -7.980
7 HG2 MET 1 1HG MET 1 5.628 -23.158 -7.574
8 HG3 MET 1 2HG MET 1 4.061 -23.923 -7.827
9 HE1 MET 1 3HE MET 1 2.736 -23.827 -10.151
10 HE2 MET 1 1HE MET 1 3.351 -23.008 -11.586
11 HE3 MET 1 2HE MET 1 2.878 -22.070 -10.169
12 H ALA 2 H ALA 2 5.077 -19.534 -5.842
13 HA ALA 2 HA ALA 2 2.673 -18.011 -5.070
14 HB1 ALA 2 3HB ALA 2 5.559 -17.420 -4.419
15 HB2 ALA 2 1HB ALA 2 4.391 -18.160 -3.324
16 HB3 ALA 2 2HB ALA 2 4.156 -16.500 -3.874
17 HA PRO 3 HA PRO 3 3.738 -15.964 -8.969
18 HB2 PRO 3 1HB PRO 3 1.020 -15.515 -9.533
19 HB3 PRO 3 2HB PRO 3 2.019 -16.829 -10.155
20 HG2 PRO 3 1HG PRO 3 -0.166 -17.068 -8.398
21 HG3 PRO 3 2HG PRO 3 1.003 -18.332 -8.809
22 HD2 PRO 3 1HD PRO 3 0.875 -16.576 -6.410
23 HD3 PRO 3 2HD PRO 3 1.480 -18.239 -6.566
24 H LEU 4 H LEU 4 2.716 -14.842 -6.088
25 HA LEU 4 HA LEU 4 1.896 -12.200 -7.042
26 HB2 LEU 4 1HB LEU 4 0.978 -11.780 -4.968
27 HB3 LEU 4 2HB LEU 4 0.680 -13.491 -5.171
28 HG LEU 4 HG LEU 4 2.872 -12.285 -3.477
29 HD11 LEU 4 1HD1 LEU 4 0.662 -11.886 -2.557
30 HD12 LEU 4 2HD1 LEU 4 1.528 -13.084 -1.597
31 HD13 LEU 4 3HD1 LEU 4 0.269 -13.597 -2.719
32 HD21 LEU 4 3HD2 LEU 4 3.209 -14.531 -2.634
33 HD22 LEU 4 1HD2 LEU 4 3.480 -14.483 -4.376
34 HD23 LEU 4 2HD2 LEU 4 1.978 -15.152 -3.736
35 H GLN 5 H GLN 5 2.901 -10.285 -6.059
36 HA GLN 5 HA GLN 5 5.782 -10.760 -5.799
37 HB2 GLN 5 1HB GLN 5 4.279 -8.237 -6.510
38 HB3 GLN 5 2HB GLN 5 6.025 -8.339 -6.318
39 HG2 GLN 5 1HG GLN 5 5.931 -10.157 -8.109
40 HG3 GLN 5 2HG GLN 5 4.297 -9.577 -8.428
41 HE21 GLN 5 2HE2 GLN 5 6.666 -9.563 -10.114
42 HE22 GLN 5 1HE2 GLN 5 6.925 -7.911 -10.564
43 H GLN 6 H GLN 6 6.702 -10.606 -3.916
44 HA GLN 6 HA GLN 6 5.487 -8.851 -1.887
45 HB2 GLN 6 1HB GLN 6 6.897 -11.492 -1.462
46 HB3 GLN 6 2HB GLN 6 6.393 -10.407 -0.173
47 HG2 GLN 6 1HG GLN 6 4.054 -10.666 -0.925
48 HG3 GLN 6 2HG GLN 6 4.602 -11.836 -2.125
49 HE21 GLN 6 2HE2 GLN 6 2.761 -12.155 0.116
50 HE22 GLN 6 1HE2 GLN 6 3.414 -13.436 1.093
51 H LYS 7 H LYS 7 6.724 -7.123 -1.770
52 HA LYS 7 HA LYS 7 9.547 -7.461 -1.169
53 HB2 LYS 7 1HB LYS 7 10.315 -5.853 -2.807
54 HB3 LYS 7 2HB LYS 7 9.468 -7.150 -3.639
55 HG2 LYS 7 1HG LYS 7 7.531 -5.773 -3.943
56 HG3 LYS 7 2HG LYS 7 8.227 -4.500 -2.939
57 HD2 LYS 7 1HD LYS 7 8.465 -3.914 -5.273
58 HD3 LYS 7 2HD LYS 7 10.055 -4.248 -4.578
59 HE2 LYS 7 1HE LYS 7 10.053 -6.461 -5.564
60 HE3 LYS 7 2HE LYS 7 8.419 -6.217 -6.177
61 HZ1 LYS 7 3HZ LYS 7 10.084 -5.874 -7.900
62 HZ2 LYS 7 1HZ LYS 7 10.811 -4.647 -6.984
63 HZ3 LYS 7 2HZ LYS 7 9.238 -4.441 -7.586
64 H GLN 8 H GLN 8 10.482 -5.350 -0.418
65 HA GLN 8 HA GLN 8 8.506 -4.089 1.279
66 HB2 GLN 8 1HB GLN 8 11.496 -3.670 1.172
67 HB3 GLN 8 2HB GLN 8 10.409 -3.132 2.447
68 HG2 GLN 8 1HG GLN 8 9.874 -5.447 2.986
69 HG3 GLN 8 2HG GLN 8 10.940 -5.997 1.696
70 HE21 GLN 8 2HE2 GLN 8 11.026 -6.579 4.520
71 HE22 GLN 8 1HE2 GLN 8 12.580 -6.060 5.086
72 H VAL 9 H VAL 9 7.791 -2.054 1.133
73 HA VAL 9 HA VAL 9 8.858 -0.350 -1.019
74 HB VAL 9 HB VAL 9 6.535 0.340 -1.572
75 HG11 VAL 9 1HG1 VAL 9 5.931 -1.669 -2.844
76 HG12 VAL 9 2HG1 VAL 9 7.086 -2.608 -1.898
77 HG13 VAL 9 3HG1 VAL 9 7.655 -1.319 -2.958
78 HG21 VAL 9 3HG2 VAL 9 4.657 -1.040 -0.831
79 HG22 VAL 9 1HG2 VAL 9 5.467 -0.268 0.533
80 HG23 VAL 9 2HG2 VAL 9 5.749 -1.976 0.192
81 H VAL 10 H VAL 10 7.998 1.908 -0.846
82 HA VAL 10 HA VAL 10 7.876 2.738 1.971
83 HB VAL 10 HB VAL 10 8.352 4.478 -0.453
84 HG11 VAL 10 1HG1 VAL 10 9.214 6.090 1.184
85 HG12 VAL 10 2HG1 VAL 10 8.798 4.978 2.489
86 HG13 VAL 10 3HG1 VAL 10 7.525 5.681 1.490
87 HG21 VAL 10 3HG2 VAL 10 10.138 2.823 -0.261
88 HG22 VAL 10 1HG2 VAL 10 10.401 3.297 1.418
89 HG23 VAL 10 2HG2 VAL 10 10.719 4.445 0.114
90 H VAL 11 H VAL 11 5.856 3.084 2.709
91 HA VAL 11 HA VAL 11 3.645 3.808 1.071
92 HB VAL 11 HB VAL 11 3.964 4.287 4.038
93 HG11 VAL 11 1HG1 VAL 11 1.510 4.017 2.307
94 HG12 VAL 11 2HG1 VAL 11 2.099 5.499 3.061
95 HG13 VAL 11 3HG1 VAL 11 1.511 4.172 4.064
96 HG21 VAL 11 3HG2 VAL 11 4.395 1.952 3.516
97 HG22 VAL 11 1HG2 VAL 11 2.895 1.867 2.592
98 HG23 VAL 11 2HG2 VAL 11 2.844 2.126 4.336
99 H SER 12 H SER 12 3.820 5.610 -0.120
100 HA SER 12 HA SER 12 5.490 7.775 0.739
101 HB2 SER 12 1HB SER 12 3.728 7.555 -1.707
102 HB3 SER 12 2HB SER 12 5.022 8.727 -1.455
103 HG SER 12 HG SER 12 5.660 6.023 -1.186
104 H ASN 13 H ASN 13 2.023 7.555 -0.096
105 HA ASN 13 HA ASN 13 1.198 9.314 1.948
106 HB2 ASN 13 1HB ASN 13 2.405 10.941 0.445
107 HB3 ASN 13 2HB ASN 13 1.243 10.556 -0.817
108 HD21 ASN 13 2HD2 ASN 13 0.579 12.708 -0.900
109 HD22 ASN 13 1HD2 ASN 13 -0.443 13.396 0.325
110 H LYS 14 H LYS 14 -1.128 9.884 1.701
111 HA LYS 14 HA LYS 14 -2.528 7.803 0.194
112 HB2 LYS 14 1HB LYS 14 -4.450 8.292 1.569
113 HB3 LYS 14 2HB LYS 14 -3.051 8.126 2.621
114 HG2 LYS 14 1HG LYS 14 -2.863 10.557 2.757
115 HG3 LYS 14 2HG LYS 14 -4.267 10.721 1.703
116 HD2 LYS 14 1HD LYS 14 -5.612 9.501 3.387
117 HD3 LYS 14 2HD LYS 14 -4.204 9.486 4.452
118 HE2 LYS 14 1HE LYS 14 -5.730 11.880 3.448
119 HE3 LYS 14 2HE LYS 14 -5.599 11.311 5.111
120 HZ1 LYS 14 3HZ LYS 14 -4.128 13.103 4.946
121 HZ2 LYS 14 1HZ LYS 14 -3.514 12.595 3.446
122 HZ3 LYS 14 2HZ LYS 14 -3.130 11.734 4.855
123 H ARG 15 H ARG 15 -3.991 8.264 -1.399
124 HA ARG 15 HA ARG 15 -4.591 11.046 -2.012
125 HB2 ARG 15 1HB ARG 15 -2.948 9.249 -3.748
126 HB3 ARG 15 2HB ARG 15 -4.064 10.372 -4.513
127 HG2 ARG 15 1HG ARG 15 -2.976 12.236 -3.373
128 HG3 ARG 15 2HG ARG 15 -1.854 11.112 -2.608
129 HD2 ARG 15 1HD ARG 15 -0.856 10.551 -4.679
130 HD3 ARG 15 2HD ARG 15 -2.151 11.324 -5.592
131 HE ARG 15 HE ARG 15 -1.162 13.395 -4.217
132 HH11 ARG 15 1HH1 ARG 15 0.499 10.878 -6.010
133 HH12 ARG 15 2HH1 ARG 15 1.787 11.921 -6.524
134 HH21 ARG 15 1HH2 ARG 15 0.526 14.759 -4.882
135 HH22 ARG 15 2HH2 ARG 15 1.791 14.141 -5.902
136 H GLU 16 H GLU 16 -6.378 11.322 -3.354
137 HA GLU 16 HA GLU 16 -8.045 8.919 -3.710
138 HB2 GLU 16 1HB GLU 16 -8.955 11.801 -3.545
139 HB3 GLU 16 2HB GLU 16 -9.967 10.363 -3.497
140 HG2 GLU 16 1HG GLU 16 -9.448 9.891 -1.326
141 HG3 GLU 16 2HG GLU 16 -7.873 10.679 -1.417
142 H LYS 17 H LYS 17 -7.733 8.260 -5.781
143 HA LYS 17 HA LYS 17 -7.139 10.264 -7.814
144 HB2 LYS 17 1HB LYS 17 -6.956 7.262 -7.776
145 HB3 LYS 17 2HB LYS 17 -6.748 8.193 -9.253
146 HG2 LYS 17 1HG LYS 17 -4.886 9.407 -8.196
147 HG3 LYS 17 2HG LYS 17 -5.070 8.394 -6.761
148 HD2 LYS 17 1HD LYS 17 -4.528 6.419 -8.020
149 HD3 LYS 17 2HD LYS 17 -4.526 7.330 -9.530
150 HE2 LYS 17 1HE LYS 17 -2.631 7.775 -7.227
151 HE3 LYS 17 2HE LYS 17 -2.255 6.862 -8.689
152 HZ1 LYS 17 3HZ LYS 17 -1.405 9.091 -8.865
153 HZ2 LYS 17 1HZ LYS 17 -2.938 9.754 -8.548
154 HZ3 LYS 17 2HZ LYS 17 -2.669 8.888 -9.980
155 HA PRO 18 HA PRO 18 -11.190 9.949 -9.569
156 HB2 PRO 18 1HB PRO 18 -10.766 11.408 -11.793
157 HB3 PRO 18 2HB PRO 18 -10.859 12.146 -10.189
158 HG2 PRO 18 1HG PRO 18 -8.477 11.559 -11.874
159 HG3 PRO 18 2HG PRO 18 -8.768 12.912 -10.770
160 HD2 PRO 18 1HD PRO 18 -7.243 10.648 -10.203
161 HD3 PRO 18 2HD PRO 18 -7.897 11.780 -9.005
162 H VAL 19 H VAL 19 -11.517 7.868 -10.163
163 HA VAL 19 HA VAL 19 -10.606 7.104 -12.859
164 HB VAL 19 HB VAL 19 -11.206 5.193 -10.586
165 HG11 VAL 19 1HG1 VAL 19 -11.679 4.270 -12.790
166 HG12 VAL 19 2HG1 VAL 19 -10.263 3.496 -12.081
167 HG13 VAL 19 3HG1 VAL 19 -10.063 4.717 -13.338
168 HG21 VAL 19 3HG2 VAL 19 -8.801 4.748 -10.530
169 HG22 VAL 19 1HG2 VAL 19 -9.151 6.432 -10.140
170 HG23 VAL 19 2HG2 VAL 19 -8.537 6.005 -11.738
171 H ASN 20 H ASN 20 -12.392 7.797 -13.951
172 HA ASN 20 HA ASN 20 -15.006 6.967 -12.894
173 HB2 ASN 20 1HB ASN 20 -14.268 9.316 -14.642
174 HB3 ASN 20 2HB ASN 20 -15.928 8.834 -14.311
175 HD21 ASN 20 2HD2 ASN 20 -16.779 9.145 -12.254
176 HD22 ASN 20 1HD2 ASN 20 -16.011 10.158 -11.077
177 H ASP 21 H ASP 21 -14.897 4.915 -13.853
178 HA ASP 21 HA ASP 21 -16.047 5.064 -16.522
179 HB2 ASP 21 1HB ASP 21 -14.791 3.273 -17.443
180 HB3 ASP 21 2HB ASP 21 -13.612 4.366 -16.736
181 H ARG 22 H ARG 22 -16.958 2.696 -17.003
182 HA ARG 22 HA ARG 22 -19.049 2.560 -15.108
183 HB2 ARG 22 1HB ARG 22 -18.408 0.736 -17.425
184 HB3 ARG 22 2HB ARG 22 -19.922 0.738 -16.527
185 HG2 ARG 22 1HG ARG 22 -20.368 3.018 -17.233
186 HG3 ARG 22 2HG ARG 22 -18.823 3.069 -18.086
187 HD2 ARG 22 1HD ARG 22 -21.173 1.283 -18.703
188 HD3 ARG 22 2HD ARG 22 -20.607 2.654 -19.658
189 HE ARG 22 HE ARG 22 -18.870 0.317 -19.211
190 HH11 ARG 22 1HH1 ARG 22 -20.517 2.511 -21.384
191 HH12 ARG 22 2HH1 ARG 22 -19.798 1.834 -22.815
192 HH21 ARG 22 1HH2 ARG 22 -17.918 -0.559 -21.055
193 HH22 ARG 22 2HH2 ARG 22 -18.315 0.073 -22.628
194 H ARG 23 H ARG 23 -16.438 0.264 -15.891
195 HA ARG 23 HA ARG 23 -16.834 -0.898 -13.236
196 HB2 ARG 23 1HB ARG 23 -16.737 -2.426 -15.825
197 HB3 ARG 23 2HB ARG 23 -16.305 -3.176 -14.294
198 HG2 ARG 23 1HG ARG 23 -18.581 -2.437 -13.457
199 HG3 ARG 23 2HG ARG 23 -18.964 -2.078 -15.142
200 HD2 ARG 23 1HD ARG 23 -19.702 -4.333 -14.396
201 HD3 ARG 23 2HD ARG 23 -18.604 -4.356 -15.776
202 HE ARG 23 HE ARG 23 -16.842 -5.068 -14.289
203 HH11 ARG 23 1HH1 ARG 23 -20.055 -5.116 -12.886
204 HH12 ARG 23 2HH1 ARG 23 -19.648 -6.310 -11.690
205 HH21 ARG 23 1HH2 ARG 23 -16.314 -6.643 -12.736
206 HH22 ARG 23 2HH2 ARG 23 -17.532 -7.204 -11.631
207 H SER 24 H SER 24 -15.019 -0.089 -12.370
208 HA SER 24 HA SER 24 -12.487 -0.364 -13.760
209 HB2 SER 24 1HB SER 24 -13.061 1.710 -12.474
210 HB3 SER 24 2HB SER 24 -13.034 0.750 -10.995
211 HG SER 24 HG SER 24 -10.889 1.329 -12.762
212 H ARG 25 H ARG 25 -10.607 -1.112 -12.274
213 HA ARG 25 HA ARG 25 -11.272 -3.802 -11.422
214 HB2 ARG 25 1HB ARG 25 -8.705 -2.348 -11.970
215 HB3 ARG 25 2HB ARG 25 -8.698 -3.888 -11.118
216 HG2 ARG 25 1HG ARG 25 -9.785 -4.964 -12.997
217 HG3 ARG 25 2HG ARG 25 -9.886 -3.421 -13.847
218 HD2 ARG 25 1HD ARG 25 -7.260 -4.544 -12.935
219 HD3 ARG 25 2HD ARG 25 -7.985 -5.032 -14.465
220 HE ARG 25 HE ARG 25 -8.014 -2.442 -14.821
221 HH11 ARG 25 1HH1 ARG 25 -5.521 -4.327 -13.275
222 HH12 ARG 25 2HH1 ARG 25 -4.219 -3.301 -13.801
223 HH21 ARG 25 1HH2 ARG 25 -6.327 -1.083 -15.542
224 HH22 ARG 25 2HH2 ARG 25 -4.687 -1.443 -15.090
225 H GLN 26 H GLN 26 -11.598 -1.051 -9.920
226 HA GLN 26 HA GLN 26 -10.716 -2.100 -7.305
227 HB2 GLN 26 1HB GLN 26 -11.426 0.744 -8.054
228 HB3 GLN 26 2HB GLN 26 -10.891 0.202 -6.475
229 HG2 GLN 26 1HG GLN 26 -8.706 -0.354 -7.389
230 HG3 GLN 26 2HG GLN 26 -9.244 0.154 -8.993
231 HE21 GLN 26 2HE2 GLN 26 -7.081 1.235 -7.321
232 HE22 GLN 26 1HE2 GLN 26 -7.450 2.914 -7.078
233 H GLN 27 H GLN 27 -13.167 -2.742 -8.908
234 HA GLN 27 HA GLN 27 -15.230 -1.389 -7.303
235 HB2 GLN 27 1HB GLN 27 -15.257 -0.811 -9.691
236 HB3 GLN 27 2HB GLN 27 -15.437 -2.510 -10.098
237 HG2 GLN 27 1HG GLN 27 -17.589 -2.528 -8.876
238 HG3 GLN 27 2HG GLN 27 -17.412 -0.793 -8.616
239 HE21 GLN 27 2HE2 GLN 27 -17.611 0.607 -10.374
240 HE22 GLN 27 1HE2 GLN 27 -18.331 0.113 -11.869
241 H GLU 28 H GLU 28 -16.320 -2.598 -5.945
242 HA GLU 28 HA GLU 28 -17.061 -5.325 -6.751
243 HB2 GLU 28 1HB GLU 28 -16.235 -4.419 -3.986
244 HB3 GLU 28 2HB GLU 28 -17.064 -5.933 -4.304
245 HG2 GLU 28 1HG GLU 28 -15.113 -6.465 -5.862
246 HG3 GLU 28 2HG GLU 28 -14.287 -5.121 -5.070
247 H VAL 29 H VAL 29 -18.958 -6.046 -5.215
248 HA VAL 29 HA VAL 29 -20.886 -3.826 -5.088
249 HB VAL 29 HB VAL 29 -21.473 -6.784 -4.837
250 HG11 VAL 29 1HG1 VAL 29 -23.204 -5.317 -3.953
251 HG12 VAL 29 2HG1 VAL 29 -23.757 -6.129 -5.419
252 HG13 VAL 29 3HG1 VAL 29 -23.256 -4.439 -5.482
253 HG21 VAL 29 3HG2 VAL 29 -22.166 -6.722 -7.194
254 HG22 VAL 29 1HG2 VAL 29 -20.444 -6.390 -7.003
255 HG23 VAL 29 2HG2 VAL 29 -21.568 -5.068 -7.316
256 H SER 30 H SER 30 -18.759 -5.509 -3.238
257 HA SER 30 HA SER 30 -20.161 -6.075 -0.865
258 HB2 SER 30 1HB SER 30 -17.251 -5.326 -0.914
259 HB3 SER 30 2HB SER 30 -18.061 -6.571 0.039
260 HG SER 30 HG SER 30 -16.770 -6.899 -2.213
261 HA PRO 31 HA PRO 31 -20.470 -1.921 0.879
262 HB2 PRO 31 1HB PRO 31 -20.831 -3.372 3.419
263 HB3 PRO 31 2HB PRO 31 -21.917 -2.233 2.615
264 HG2 PRO 31 1HG PRO 31 -22.456 -4.864 2.724
265 HG3 PRO 31 2HG PRO 31 -22.896 -3.872 1.322
266 HD2 PRO 31 1HD PRO 31 -20.600 -5.762 1.666
267 HD3 PRO 31 2HD PRO 31 -21.644 -5.503 0.251
268 H ALA 32 H ALA 32 -18.461 -1.077 0.897
269 HA ALA 32 HA ALA 32 -16.262 -2.405 2.174
270 HB1 ALA 32 3HB ALA 32 -16.380 0.344 0.944
271 HB2 ALA 32 1HB ALA 32 -15.990 -1.145 0.085
272 HB3 ALA 32 2HB ALA 32 -14.920 -0.556 1.358
273 H GLY 33 H GLY 33 -18.587 -0.104 3.165
274 HA2 GLY 33 1HA GLY 33 -18.902 0.794 5.287
275 HA3 GLY 33 2HA GLY 33 -17.344 0.132 5.767
276 H THR 34 H THR 34 -15.544 1.205 4.204
277 HA THR 34 HA THR 34 -15.437 3.961 4.936
278 HB THR 34 HB THR 34 -13.636 2.636 2.913
279 HG1 THR 34 HG1 THR 34 -14.021 1.960 5.550
280 HG21 THR 34 3HG2 THR 34 -11.951 4.120 3.917
281 HG22 THR 34 1HG2 THR 34 -13.177 4.763 5.008
282 HG23 THR 34 2HG2 THR 34 -13.317 5.028 3.269
283 H SER 35 H SER 35 -17.040 5.128 3.952
284 HA SER 35 HA SER 35 -17.995 4.729 1.361
285 HB2 SER 35 1HB SER 35 -18.106 7.315 2.914
286 HB3 SER 35 2HB SER 35 -19.239 6.755 1.683
287 HG SER 35 HG SER 35 -20.294 5.964 3.327
288 H MET 36 H MET 36 -15.652 7.077 2.591
289 HA MET 36 HA MET 36 -15.101 7.957 -0.128
290 HB2 MET 36 1HB MET 36 -14.110 8.950 2.543
291 HB3 MET 36 2HB MET 36 -13.537 9.579 1.002
292 HG2 MET 36 1HG MET 36 -15.869 10.193 0.442
293 HG3 MET 36 2HG MET 36 -16.357 9.669 2.051
294 HE1 MET 36 3HE MET 36 -13.510 13.212 1.241
295 HE2 MET 36 1HE MET 36 -14.239 12.225 -0.026
296 HE3 MET 36 2HE MET 36 -13.024 11.527 1.047
297 H ARG 37 H ARG 37 -13.671 7.019 -1.308
298 HA ARG 37 HA ARG 37 -12.033 4.910 -0.423
299 HB2 ARG 37 1HB ARG 37 -11.009 5.122 -2.743
300 HB3 ARG 37 2HB ARG 37 -12.745 4.848 -2.675
301 HG2 ARG 37 1HG ARG 37 -13.074 7.300 -2.979
302 HG3 ARG 37 2HG ARG 37 -11.334 7.451 -3.225
303 HD2 ARG 37 1HD ARG 37 -13.016 5.580 -4.864
304 HD3 ARG 37 2HD ARG 37 -12.835 7.280 -5.292
305 HE ARG 37 HE ARG 37 -10.270 6.300 -4.966
306 HH11 ARG 37 1HH1 ARG 37 -13.022 5.616 -7.026
307 HH12 ARG 37 2HH1 ARG 37 -12.054 5.102 -8.364
308 HH21 ARG 37 1HH2 ARG 37 -8.988 5.652 -6.729
309 HH22 ARG 37 2HH2 ARG 37 -9.755 5.097 -8.187
310 H TYR 38 H TYR 38 -10.190 4.961 0.638
311 HA TYR 38 HA TYR 38 -8.352 7.220 0.217
312 HB2 TYR 38 1HB TYR 38 -8.384 5.181 2.456
313 HB3 TYR 38 2HB TYR 38 -7.235 6.501 2.291
314 HD1 TYR 38 HD2 TYR 38 -8.942 8.791 1.637
315 HD2 TYR 38 HD1 TYR 38 -9.600 5.578 4.352
316 HE1 TYR 38 HE2 TYR 38 -10.414 10.233 2.988
317 HE2 TYR 38 HE1 TYR 38 -11.068 7.008 5.703
318 HH TYR 38 HH TYR 38 -12.298 9.944 4.633
319 H GLU 39 H GLU 39 -6.903 6.739 -1.304
320 HA GLU 39 HA GLU 39 -5.977 3.968 -1.549
321 HB2 GLU 39 1HB GLU 39 -5.765 6.264 -3.505
322 HB3 GLU 39 2HB GLU 39 -5.218 4.618 -3.795
323 HG2 GLU 39 1HG GLU 39 -7.456 3.791 -3.719
324 HG3 GLU 39 2HG GLU 39 -8.069 5.363 -3.208
325 H ALA 40 H ALA 40 -3.767 3.518 -1.601
326 HA ALA 40 HA ALA 40 -2.079 5.709 -0.580
327 HB1 ALA 40 3HB ALA 40 -1.840 2.779 0.084
328 HB2 ALA 40 1HB ALA 40 -2.544 4.010 1.133
329 HB3 ALA 40 2HB ALA 40 -0.834 4.083 0.712
330 H SER 41 H SER 41 -0.143 6.036 -1.493
331 HA SER 41 HA SER 41 0.446 4.506 -3.907
332 HB2 SER 41 1HB SER 41 1.727 7.045 -2.868
333 HB3 SER 41 2HB SER 41 1.941 6.340 -4.471
334 HG SER 41 HG SER 41 -0.684 6.696 -3.859
335 H PHE 42 H PHE 42 1.806 2.870 -3.788
336 HA PHE 42 HA PHE 42 3.768 2.804 -1.604
337 HB2 PHE 42 1HB PHE 42 2.752 0.575 -3.384
338 HB3 PHE 42 2HB PHE 42 3.915 0.382 -2.078
339 HD1 PHE 42 HD2 PHE 42 3.188 0.799 0.275
340 HD2 PHE 42 HD1 PHE 42 0.437 0.629 -2.966
341 HE1 PHE 42 HE2 PHE 42 1.343 0.450 1.864
342 HE2 PHE 42 HE1 PHE 42 -1.413 0.277 -1.382
343 HZ PHE 42 HZ PHE 42 -0.961 0.187 1.036
344 H LYS 43 H LYS 43 5.761 3.265 -2.044
345 HA LYS 43 HA LYS 43 6.655 3.322 -4.841
346 HB2 LYS 43 1HB LYS 43 6.661 5.426 -3.508
347 HB3 LYS 43 2HB LYS 43 7.792 4.685 -2.390
348 HG2 LYS 43 1HG LYS 43 9.480 4.573 -4.111
349 HG3 LYS 43 2HG LYS 43 8.336 5.193 -5.308
350 HD2 LYS 43 1HD LYS 43 8.112 7.261 -3.992
351 HD3 LYS 43 2HD LYS 43 9.294 6.642 -2.839
352 HE2 LYS 43 1HE LYS 43 9.831 7.112 -5.764
353 HE3 LYS 43 2HE LYS 43 10.230 8.247 -4.478
354 HZ1 LYS 43 3HZ LYS 43 11.331 5.514 -4.829
355 HZ2 LYS 43 1HZ LYS 43 11.641 6.509 -3.492
356 HZ3 LYS 43 2HZ LYS 43 12.151 6.977 -5.039
357 HA PRO 44 HA PRO 44 8.901 -0.427 -3.613
358 HB2 PRO 44 1HB PRO 44 9.906 -0.072 -6.388
359 HB3 PRO 44 2HB PRO 44 9.213 -1.502 -5.615
360 HG2 PRO 44 1HG PRO 44 7.797 -0.096 -7.379
361 HG3 PRO 44 2HG PRO 44 7.029 -0.778 -5.932
362 HD2 PRO 44 1HD PRO 44 7.870 2.041 -6.484
363 HD3 PRO 44 2HD PRO 44 6.418 1.440 -5.659
364 H LEU 45 H LEU 45 10.826 -0.550 -2.677
365 HA LEU 45 HA LEU 45 12.476 1.661 -2.351
366 HB2 LEU 45 1HB LEU 45 13.002 -1.267 -1.893
367 HB3 LEU 45 2HB LEU 45 14.101 0.002 -1.385
368 HG LEU 45 HG LEU 45 11.237 -0.111 -0.462
369 HD11 LEU 45 1HD1 LEU 45 12.079 -1.135 1.589
370 HD12 LEU 45 2HD1 LEU 45 13.681 -1.273 0.861
371 HD13 LEU 45 3HD1 LEU 45 12.323 -2.179 0.187
372 HD21 LEU 45 3HD2 LEU 45 12.079 1.314 1.335
373 HD22 LEU 45 1HD2 LEU 45 12.370 2.041 -0.244
374 HD23 LEU 45 2HD2 LEU 45 13.693 1.263 0.625
375 H ASN 46 H ASN 46 13.167 -1.282 -4.257
376 HA ASN 46 HA ASN 46 15.463 0.128 -5.405
377 HB2 ASN 46 1HB ASN 46 15.912 -2.046 -4.325
378 HB3 ASN 46 2HB ASN 46 14.813 -2.827 -5.457
379 HD21 ASN 46 2HD2 ASN 46 17.876 -1.212 -5.080
380 HD22 ASN 46 1HD2 ASN 46 18.574 -1.767 -6.569
381 H GLY 47 H GLY 47 14.429 1.372 -6.950
382 HA2 GLY 47 1HA GLY 47 13.829 1.819 -9.113
383 HA3 GLY 47 2HA GLY 47 14.289 0.169 -9.494
384 H GLY 48 H GLY 48 11.641 2.194 -8.326
385 HA2 GLY 48 1HA GLY 48 9.782 0.587 -9.826
386 HA3 GLY 48 2HA GLY 48 9.583 0.453 -8.086
387 H LEU 49 H LEU 49 7.908 1.615 -10.289
388 HA LEU 49 HA LEU 49 7.728 4.413 -9.482
389 HB2 LEU 49 1HB LEU 49 7.438 3.571 -11.876
390 HB3 LEU 49 2HB LEU 49 5.896 2.918 -11.355
391 HG LEU 49 HG LEU 49 5.181 5.219 -10.730
392 HD11 LEU 49 1HD1 LEU 49 7.756 6.016 -12.080
393 HD12 LEU 49 2HD1 LEU 49 7.379 6.197 -10.367
394 HD13 LEU 49 3HD1 LEU 49 6.474 7.116 -11.570
395 HD21 LEU 49 3HD2 LEU 49 4.543 4.271 -12.873
396 HD22 LEU 49 1HD2 LEU 49 6.054 4.833 -13.590
397 HD23 LEU 49 2HD2 LEU 49 4.856 6.000 -13.031
398 H GLU 50 H GLU 50 5.660 5.288 -8.715
399 HA GLU 50 HA GLU 50 4.726 3.901 -6.463
400 HB2 GLU 50 1HB GLU 50 3.529 6.255 -7.926
401 HB3 GLU 50 2HB GLU 50 2.983 5.684 -6.357
402 HG2 GLU 50 1HG GLU 50 5.109 6.214 -5.371
403 HG3 GLU 50 2HG GLU 50 5.767 6.655 -6.947
404 H LYS 51 H LYS 51 3.419 2.204 -6.375
405 HA LYS 51 HA LYS 51 1.253 1.985 -8.345
406 HB2 LYS 51 1HB LYS 51 2.506 -0.006 -6.466
407 HB3 LYS 51 2HB LYS 51 0.917 -0.297 -7.161
408 HG2 LYS 51 1HG LYS 51 1.938 -0.028 -9.423
409 HG3 LYS 51 2HG LYS 51 3.515 0.050 -8.639
410 HD2 LYS 51 1HD LYS 51 3.283 -2.175 -7.792
411 HD3 LYS 51 2HD LYS 51 1.597 -2.252 -8.305
412 HE2 LYS 51 1HE LYS 51 2.921 -3.506 -9.863
413 HE3 LYS 51 2HE LYS 51 2.363 -2.037 -10.662
414 HZ1 LYS 51 3HZ LYS 51 4.574 -1.054 -10.135
415 HZ2 LYS 51 1HZ LYS 51 4.639 -2.364 -11.211
416 HZ3 LYS 51 2HZ LYS 51 5.074 -2.581 -9.591
417 H THR 52 H THR 52 -0.819 2.332 -7.779
418 HA THR 52 HA THR 52 -1.274 3.169 -4.996
419 HB THR 52 HB THR 52 -2.920 3.924 -7.414
420 HG1 THR 52 HG1 THR 52 -0.449 4.672 -6.861
421 HG21 THR 52 3HG2 THR 52 -2.681 5.146 -4.660
422 HG22 THR 52 1HG2 THR 52 -4.044 4.198 -5.256
423 HG23 THR 52 2HG2 THR 52 -3.677 5.766 -5.978
424 H PHE 53 H PHE 53 -2.664 2.062 -3.776
425 HA PHE 53 HA PHE 53 -4.583 0.269 -5.116
426 HB2 PHE 53 1HB PHE 53 -3.001 -0.222 -2.584
427 HB3 PHE 53 2HB PHE 53 -4.364 -1.214 -3.088
428 HD1 PHE 53 HD2 PHE 53 -4.187 -2.676 -5.030
429 HD2 PHE 53 HD1 PHE 53 -0.874 -0.368 -3.687
430 HE1 PHE 53 HE2 PHE 53 -2.674 -4.064 -6.384
431 HE2 PHE 53 HE1 PHE 53 0.644 -1.752 -5.038
432 HZ PHE 53 HZ PHE 53 -0.256 -3.603 -6.389
433 H ARG 54 H ARG 54 -6.652 0.362 -4.450
434 HA ARG 54 HA ARG 54 -7.487 2.507 -2.754
435 HB2 ARG 54 1HB ARG 54 -8.806 1.766 -4.711
436 HB3 ARG 54 2HB ARG 54 -9.086 0.219 -3.929
437 HG2 ARG 54 1HG ARG 54 -10.309 1.360 -2.134
438 HG3 ARG 54 2HG ARG 54 -10.052 2.902 -2.954
439 HD2 ARG 54 1HD ARG 54 -11.259 2.042 -4.912
440 HD3 ARG 54 2HD ARG 54 -11.539 0.524 -4.063
441 HE ARG 54 HE ARG 54 -12.552 2.535 -2.446
442 HH11 ARG 54 1HH1 ARG 54 -13.171 1.216 -5.627
443 HH12 ARG 54 2HH1 ARG 54 -14.853 1.660 -5.628
444 HH21 ARG 54 1HH2 ARG 54 -14.786 3.112 -2.432
445 HH22 ARG 54 2HH2 ARG 54 -15.764 2.717 -3.818
446 H LEU 55 H LEU 55 -7.586 2.450 -0.614
447 HA LEU 55 HA LEU 55 -7.589 -0.182 0.705
448 HB2 LEU 55 1HB LEU 55 -6.482 2.470 1.628
449 HB3 LEU 55 2HB LEU 55 -6.487 1.003 2.593
450 HG LEU 55 HG LEU 55 -4.950 1.478 0.037
451 HD11 LEU 55 1HD1 LEU 55 -2.999 1.211 1.487
452 HD12 LEU 55 2HD1 LEU 55 -4.062 1.056 2.885
453 HD13 LEU 55 3HD1 LEU 55 -4.003 2.571 1.987
454 HD21 LEU 55 3HD2 LEU 55 -5.093 -0.995 1.757
455 HD22 LEU 55 1HD2 LEU 55 -3.993 -0.743 0.402
456 HD23 LEU 55 2HD2 LEU 55 -5.732 -0.827 0.122
457 H GLN 56 H GLN 56 -8.848 -0.491 2.561
458 HA GLN 56 HA GLN 56 -11.044 1.384 2.954
459 HB2 GLN 56 1HB GLN 56 -10.540 -1.266 4.329
460 HB3 GLN 56 2HB GLN 56 -12.014 -0.314 4.405
461 HG2 GLN 56 1HG GLN 56 -12.256 -0.647 1.941
462 HG3 GLN 56 2HG GLN 56 -10.901 -1.772 2.024
463 HE21 GLN 56 2HE2 GLN 56 -11.792 -2.660 4.730
464 HE22 GLN 56 1HE2 GLN 56 -13.120 -3.723 4.434
465 H ALA 57 H ALA 57 -11.641 1.753 5.342
466 HA ALA 57 HA ALA 57 -9.675 3.344 6.487
467 HB1 ALA 57 3HB ALA 57 -12.073 3.585 6.926
468 HB2 ALA 57 1HB ALA 57 -11.132 3.522 8.415
469 HB3 ALA 57 2HB ALA 57 -12.039 2.106 7.885
470 H GLN 58 H GLN 58 -10.582 0.007 7.315
471 HA GLN 58 HA GLN 58 -9.014 -0.216 9.635
472 HB2 GLN 58 1HB GLN 58 -9.669 -2.451 7.707
473 HB3 GLN 58 2HB GLN 58 -9.224 -2.619 9.398
474 HG2 GLN 58 1HG GLN 58 -11.458 -2.843 9.612
475 HG3 GLN 58 2HG GLN 58 -11.364 -1.086 9.714
476 HE21 GLN 58 2HE2 GLN 58 -13.559 -2.789 8.864
477 HE22 GLN 58 1HE2 GLN 58 -13.956 -2.303 7.245
478 H GLN 59 H GLN 59 -8.238 -0.725 6.244
479 HA GLN 59 HA GLN 59 -5.682 -1.896 6.776
480 HB2 GLN 59 1HB GLN 59 -6.804 -0.752 4.211
481 HB3 GLN 59 2HB GLN 59 -5.338 -1.713 4.341
482 HG2 GLN 59 1HG GLN 59 -6.676 -3.597 5.189
483 HG3 GLN 59 2HG GLN 59 -8.133 -2.630 4.976
484 HE21 GLN 59 2HE2 GLN 59 -7.050 -1.420 2.505
485 HE22 GLN 59 1HE2 GLN 59 -7.234 -2.635 1.289
486 H TYR 60 H TYR 60 -6.900 1.323 6.233
487 HA TYR 60 HA TYR 60 -4.284 2.476 5.878
488 HB2 TYR 60 1HB TYR 60 -6.156 3.570 4.802
489 HB3 TYR 60 2HB TYR 60 -6.990 3.749 6.343
490 HD1 TYR 60 HD2 TYR 60 -3.832 4.745 4.614
491 HD2 TYR 60 HD1 TYR 60 -6.766 5.735 7.534
492 HE1 TYR 60 HE2 TYR 60 -2.765 6.937 4.937
493 HE2 TYR 60 HE1 TYR 60 -5.705 7.929 7.864
494 HH TYR 60 HH TYR 60 -3.583 9.020 7.544
495 H HIS 61 H HIS 61 -6.541 1.979 8.513
496 HA HIS 61 HA HIS 61 -5.305 3.686 10.391
497 HB2 HIS 61 1HB HIS 61 -7.136 1.324 10.631
498 HB3 HIS 61 2HB HIS 61 -6.404 2.020 12.072
499 HD1 HIS 61 HD1 HIS 61 -8.623 2.882 13.006
500 HD2 HIS 61 HD2 HIS 61 -7.707 4.371 9.230
501 HE1 HIS 61 HE1 HIS 61 -10.274 4.737 12.585
502 HE2 HIS 61 HE2 HIS 61 -9.575 5.744 10.380
503 H ALA 62 H ALA 62 -4.668 0.389 9.411
504 HA ALA 62 HA ALA 62 -2.651 0.024 11.465
505 HB1 ALA 62 3HB ALA 62 -4.032 -1.875 10.782
506 HB2 ALA 62 1HB ALA 62 -2.326 -2.179 10.453
507 HB3 ALA 62 2HB ALA 62 -3.414 -1.739 9.136
508 H LEU 63 H LEU 63 -2.763 1.697 8.652
509 HA LEU 63 HA LEU 63 -0.042 0.994 7.808
510 HB2 LEU 63 1HB LEU 63 -1.893 0.956 6.124
511 HB3 LEU 63 2HB LEU 63 -2.095 2.680 6.371
512 HG LEU 63 HG LEU 63 0.236 3.026 5.579
513 HD11 LEU 63 1HD1 LEU 63 1.380 1.203 4.440
514 HD12 LEU 63 2HD1 LEU 63 0.092 0.093 4.906
515 HD13 LEU 63 3HD1 LEU 63 1.118 0.821 6.142
516 HD21 LEU 63 3HD2 LEU 63 -0.248 2.595 3.213
517 HD22 LEU 63 1HD2 LEU 63 -1.635 3.291 4.049
518 HD23 LEU 63 2HD2 LEU 63 -1.600 1.566 3.683
519 H THR 64 H THR 64 1.570 2.504 7.755
520 HA THR 64 HA THR 64 0.925 5.183 8.790
521 HB THR 64 HB THR 64 3.415 3.552 9.353
522 HG1 THR 64 HG1 THR 64 1.009 3.656 10.541
523 HG21 THR 64 3HG2 THR 64 2.604 6.280 10.373
524 HG22 THR 64 1HG2 THR 64 3.894 5.959 9.215
525 HG23 THR 64 2HG2 THR 64 4.031 5.371 10.873
526 H VAL 65 H VAL 65 1.701 6.883 7.618
527 HA VAL 65 HA VAL 65 2.927 6.353 5.080
528 HB VAL 65 HB VAL 65 2.204 8.910 6.505
529 HG11 VAL 65 1HG1 VAL 65 2.837 10.128 4.473
530 HG12 VAL 65 2HG1 VAL 65 3.499 8.642 3.790
531 HG13 VAL 65 3HG1 VAL 65 4.235 9.357 5.224
532 HG21 VAL 65 3HG2 VAL 65 0.367 7.633 5.565
533 HG22 VAL 65 1HG2 VAL 65 1.188 7.560 4.005
534 HG23 VAL 65 2HG2 VAL 65 0.618 9.109 4.633
535 H GLY 66 H GLY 66 5.000 6.208 4.626
536 HA2 GLY 66 1HA GLY 66 7.302 6.779 4.850
537 HA3 GLY 66 2HA GLY 66 6.981 7.310 6.497
538 H ASP 67 H ASP 67 5.270 4.602 6.310
539 HA ASP 67 HA ASP 67 7.214 3.070 7.756
540 HB2 ASP 67 1HB ASP 67 4.780 3.053 8.299
541 HB3 ASP 67 2HB ASP 67 4.479 2.217 6.780
542 H GLN 68 H GLN 68 8.863 2.642 6.347
543 HA GLN 68 HA GLN 68 8.511 1.267 3.884
544 HB2 GLN 68 1HB GLN 68 10.915 1.393 5.719
545 HB3 GLN 68 2HB GLN 68 10.932 0.772 4.074
546 HG2 GLN 68 1HG GLN 68 10.352 2.955 3.208
547 HG3 GLN 68 2HG GLN 68 10.225 3.593 4.847
548 HE21 GLN 68 2HE2 GLN 68 11.949 4.430 2.645
549 HE22 GLN 68 1HE2 GLN 68 13.566 4.317 3.243
550 H GLY 69 H GLY 69 7.751 -0.725 3.663
551 HA2 GLY 69 1HA GLY 69 8.639 -2.871 5.376
552 HA3 GLY 69 2HA GLY 69 6.959 -2.418 5.627
553 H THR 70 H THR 70 7.135 -4.878 4.913
554 HA THR 70 HA THR 70 7.551 -5.304 2.104
555 HB THR 70 HB THR 70 6.413 -7.248 4.115
556 HG1 THR 70 HG1 THR 70 8.418 -7.608 4.823
557 HG21 THR 70 3HG2 THR 70 7.408 -8.933 2.631
558 HG22 THR 70 1HG2 THR 70 7.955 -7.654 1.547
559 HG23 THR 70 2HG2 THR 70 6.230 -7.940 1.774
560 H LEU 71 H LEU 71 6.072 -5.521 0.545
561 HA LEU 71 HA LEU 71 3.226 -5.319 1.281
562 HB2 LEU 71 1HB LEU 71 4.039 -3.311 0.148
563 HB3 LEU 71 2HB LEU 71 4.666 -4.285 -1.168
564 HG LEU 71 HG LEU 71 2.319 -4.986 -1.682
565 HD11 LEU 71 1HD1 LEU 71 0.488 -3.670 -0.758
566 HD12 LEU 71 2HD1 LEU 71 1.621 -2.826 0.298
567 HD13 LEU 71 3HD1 LEU 71 1.340 -4.554 0.508
568 HD21 LEU 71 3HD2 LEU 71 1.704 -2.875 -2.754
569 HD22 LEU 71 1HD2 LEU 71 3.421 -3.226 -2.950
570 HD23 LEU 71 2HD2 LEU 71 2.895 -2.028 -1.768
571 H SER 72 H SER 72 1.879 -6.821 0.485
572 HA SER 72 HA SER 72 2.965 -8.770 -1.437
573 HB2 SER 72 1HB SER 72 2.847 -9.778 0.783
574 HB3 SER 72 2HB SER 72 1.175 -9.254 0.964
575 HG SER 72 HG SER 72 0.566 -10.948 -0.102
576 H TYR 73 H TYR 73 1.831 -8.846 -3.291
577 HA TYR 73 HA TYR 73 -1.050 -8.559 -3.196
578 HB2 TYR 73 1HB TYR 73 -1.205 -6.794 -4.839
579 HB3 TYR 73 2HB TYR 73 -0.258 -6.229 -3.473
580 HD1 TYR 73 HD1 TYR 73 2.308 -6.251 -3.733
581 HD2 TYR 73 HD2 TYR 73 -0.386 -6.619 -7.003
582 HE1 TYR 73 HE1 TYR 73 4.084 -5.526 -5.273
583 HE2 TYR 73 HE2 TYR 73 1.383 -5.903 -8.551
584 HH TYR 73 HH TYR 73 4.580 -5.859 -7.809
585 H LYS 74 H LYS 74 -2.108 -9.469 -4.934
586 HA LYS 74 HA LYS 74 -0.386 -11.096 -6.686
587 HB2 LYS 74 1HB LYS 74 -1.467 -12.329 -4.754
588 HB3 LYS 74 2HB LYS 74 -3.020 -11.968 -5.492
589 HG2 LYS 74 1HG LYS 74 -2.418 -13.245 -7.457
590 HG3 LYS 74 2HG LYS 74 -0.811 -13.548 -6.790
591 HD2 LYS 74 1HD LYS 74 -1.870 -14.703 -4.877
592 HD3 LYS 74 2HD LYS 74 -3.443 -14.477 -5.645
593 HE2 LYS 74 1HE LYS 74 -1.111 -16.028 -6.763
594 HE3 LYS 74 2HE LYS 74 -2.580 -16.712 -6.069
595 HZ1 LYS 74 3HZ LYS 74 -2.357 -15.106 -8.559
596 HZ2 LYS 74 1HZ LYS 74 -3.834 -15.559 -7.852
597 HZ3 LYS 74 2HZ LYS 74 -2.772 -16.748 -8.430
598 H GLY 75 H GLY 75 -0.833 -10.912 -8.803
599 HA2 GLY 75 1HA GLY 75 -1.865 -10.204 -10.727
600 HA3 GLY 75 2HA GLY 75 -3.397 -10.400 -9.882
601 H THR 76 H THR 76 -4.537 -8.619 -9.642
602 HA THR 76 HA THR 76 -3.101 -6.066 -9.379
603 HB THR 76 HB THR 76 -5.224 -5.032 -10.305
604 HG1 THR 76 HG1 THR 76 -6.817 -6.379 -10.595
605 HG21 THR 76 3HG2 THR 76 -3.640 -6.877 -12.095
606 HG22 THR 76 1HG2 THR 76 -3.216 -5.221 -11.661
607 HG23 THR 76 2HG2 THR 76 -4.645 -5.537 -12.646
608 H ARG 77 H ARG 77 -4.310 -8.193 -7.456
609 HA ARG 77 HA ARG 77 -6.148 -6.401 -6.018
610 HB2 ARG 77 1HB ARG 77 -7.005 -8.661 -6.745
611 HB3 ARG 77 2HB ARG 77 -5.850 -9.380 -5.631
612 HG2 ARG 77 1HG ARG 77 -6.926 -8.206 -3.768
613 HG3 ARG 77 2HG ARG 77 -8.097 -7.515 -4.893
614 HD2 ARG 77 1HD ARG 77 -8.789 -9.820 -5.501
615 HD3 ARG 77 2HD ARG 77 -7.699 -10.435 -4.259
616 HE ARG 77 HE ARG 77 -10.040 -8.715 -3.708
617 HH11 ARG 77 1HH1 ARG 77 -7.804 -11.257 -2.797
618 HH12 ARG 77 2HH1 ARG 77 -8.664 -11.659 -1.339
619 HH21 ARG 77 1HH2 ARG 77 -11.190 -9.273 -1.810
620 HH22 ARG 77 2HH2 ARG 77 -10.601 -10.558 -0.795
621 H PHE 78 H PHE 78 -5.757 -5.824 -3.965
622 HA PHE 78 HA PHE 78 -3.110 -6.070 -2.929
623 HB2 PHE 78 1HB PHE 78 -4.424 -4.031 -2.611
624 HB3 PHE 78 2HB PHE 78 -5.643 -4.931 -1.720
625 HD1 PHE 78 HD1 PHE 78 -2.151 -3.735 -1.625
626 HD2 PHE 78 HD2 PHE 78 -5.412 -5.336 0.591
627 HE1 PHE 78 HE1 PHE 78 -0.967 -3.234 0.471
628 HE2 PHE 78 HE2 PHE 78 -4.232 -4.841 2.693
629 HZ PHE 78 HZ PHE 78 -2.008 -3.787 2.634
630 H VAL 79 H VAL 79 -2.340 -7.692 -1.737
631 HA VAL 79 HA VAL 79 -4.200 -9.616 -0.585
632 HB VAL 79 HB VAL 79 -1.190 -9.704 -0.863
633 HG11 VAL 79 1HG1 VAL 79 -3.074 -11.824 0.166
634 HG12 VAL 79 2HG1 VAL 79 -1.890 -10.933 1.123
635 HG13 VAL 79 3HG1 VAL 79 -1.350 -12.037 -0.142
636 HG21 VAL 79 3HG2 VAL 79 -2.355 -9.929 -2.977
637 HG22 VAL 79 1HG2 VAL 79 -3.386 -11.190 -2.299
638 HG23 VAL 79 2HG2 VAL 79 -1.658 -11.479 -2.500
639 H GLY 80 H GLY 80 -1.279 -7.856 0.517
640 HA2 GLY 80 1HA GLY 80 -2.475 -6.971 2.914
641 HA3 GLY 80 2HA GLY 80 -1.590 -8.455 3.232
642 H PHE 81 H PHE 81 -0.811 -6.289 4.562
643 HA PHE 81 HA PHE 81 1.747 -5.604 3.286
644 HB2 PHE 81 1HB PHE 81 0.162 -3.665 3.190
645 HB3 PHE 81 2HB PHE 81 0.075 -3.699 4.947
646 HD1 PHE 81 HD1 PHE 81 2.242 -3.013 2.062
647 HD2 PHE 81 HD2 PHE 81 1.829 -2.796 6.292
648 HE1 PHE 81 HE1 PHE 81 4.202 -1.531 2.174
649 HE2 PHE 81 HE2 PHE 81 3.791 -1.316 6.411
650 HZ PHE 81 HZ PHE 81 4.980 -0.681 4.350
651 H VAL 82 H VAL 82 3.485 -5.880 4.578
652 HA VAL 82 HA VAL 82 3.006 -6.379 7.442
653 HB VAL 82 HB VAL 82 4.905 -7.972 5.708
654 HG11 VAL 82 1HG1 VAL 82 5.682 -7.708 8.004
655 HG12 VAL 82 2HG1 VAL 82 5.198 -9.374 7.686
656 HG13 VAL 82 3HG1 VAL 82 4.135 -8.308 8.605
657 HG21 VAL 82 3HG2 VAL 82 3.396 -9.865 6.073
658 HG22 VAL 82 1HG2 VAL 82 2.591 -8.556 5.208
659 HG23 VAL 82 2HG2 VAL 82 2.272 -8.806 6.925
660 H SER 83 H SER 83 3.874 -4.564 8.276
661 HA SER 83 HA SER 83 6.094 -3.158 7.328
662 HB2 SER 83 1HB SER 83 5.058 -3.389 10.164
663 HB3 SER 83 2HB SER 83 6.161 -2.144 9.579
664 HG SER 83 HG SER 83 4.574 -1.295 8.311
665 H ARG 84 H ARG 84 8.222 -3.554 7.379
666 HA ARG 84 HA ARG 84 9.151 -6.052 8.370
667 HB2 ARG 84 1HB ARG 84 11.351 -5.382 7.568
668 HB3 ARG 84 2HB ARG 84 10.125 -5.046 6.357
669 HG2 ARG 84 1HG ARG 84 10.166 -2.687 6.943
670 HG3 ARG 84 2HG ARG 84 11.355 -3.010 8.205
671 HD2 ARG 84 1HD ARG 84 12.886 -3.889 6.452
672 HD3 ARG 84 2HD ARG 84 11.714 -3.386 5.236
673 HE ARG 84 HE ARG 84 12.415 -1.220 6.942
674 HH11 ARG 84 1HH1 ARG 84 13.556 -3.111 4.204
675 HH12 ARG 84 2HH1 ARG 84 14.616 -1.862 3.630
676 HH21 ARG 84 1HH2 ARG 84 13.828 0.420 6.168
677 HH22 ARG 84 2HH2 ARG 84 14.764 0.133 4.728
678 H THR 85 H THR 85 9.692 -6.528 10.355
679 HA THR 85 HA THR 85 10.293 -4.360 12.230
680 HB THR 85 HB THR 85 9.668 -7.245 12.880
681 HG1 THR 85 HG1 THR 85 8.048 -5.491 11.799
682 HG21 THR 85 3HG2 THR 85 9.090 -6.334 15.086
683 HG22 THR 85 1HG2 THR 85 9.541 -4.720 14.540
684 HG23 THR 85 2HG2 THR 85 10.768 -5.979 14.672
685 HA PRO 86 HA PRO 86 14.475 -6.054 11.891
686 HB2 PRO 86 1HB PRO 86 15.786 -3.754 12.247
687 HB3 PRO 86 2HB PRO 86 14.963 -4.111 10.723
688 HG2 PRO 86 1HG PRO 86 14.133 -2.312 12.947
689 HG3 PRO 86 2HG PRO 86 13.894 -2.128 11.201
690 HD2 PRO 86 1HD PRO 86 12.001 -3.076 13.046
691 HD3 PRO 86 2HD PRO 86 11.902 -3.210 11.280
692 H ASP 87 H ASP 87 16.368 -5.982 13.378
693 HA ASP 87 HA ASP 87 15.463 -5.811 16.160
694 HB2 ASP 87 1HB ASP 87 17.756 -7.299 14.878
695 HB3 ASP 87 2HB ASP 87 17.566 -7.150 16.622
696 H ASN 88 H ASN 88 16.750 -4.823 17.738
697 HA ASN 88 HA ASN 88 17.750 -2.305 16.935
698 HB2 ASN 88 1HB ASN 88 16.626 -2.763 19.104
699 HB3 ASN 88 2HB ASN 88 18.025 -3.697 19.610
700 HD21 ASN 88 2HD2 ASN 88 16.727 -1.249 20.669
701 HD22 ASN 88 1HD2 ASN 88 18.003 -0.078 20.792
702 H GLU 89 H GLU 89 19.345 -5.206 18.170
703 HA GLU 89 HA GLU 89 21.961 -3.985 17.672
704 HB2 GLU 89 1HB GLU 89 22.852 -5.809 19.040
705 HB3 GLU 89 2HB GLU 89 21.572 -4.953 19.890
706 HG2 GLU 89 1HG GLU 89 19.997 -6.745 19.163
707 HG3 GLU 89 2HG GLU 89 21.386 -7.625 18.526
708 H LEU 90 H LEU 90 19.993 -5.293 15.687
709 HA LEU 90 HA LEU 90 21.082 -7.721 14.779
710 HB2 LEU 90 1HB LEU 90 18.845 -6.878 14.164
711 HB3 LEU 90 2HB LEU 90 19.595 -5.623 13.198
712 HG LEU 90 HG LEU 90 20.576 -7.373 11.735
713 HD11 LEU 90 1HD1 LEU 90 19.746 -9.667 11.907
714 HD12 LEU 90 2HD1 LEU 90 18.892 -9.246 13.393
715 HD13 LEU 90 3HD1 LEU 90 20.654 -9.198 13.344
716 HD21 LEU 90 3HD2 LEU 90 17.580 -7.493 12.058
717 HD22 LEU 90 1HD2 LEU 90 18.483 -7.983 10.624
718 HD23 LEU 90 2HD2 LEU 90 18.479 -6.293 11.129
719 H GLU 91 H GLU 91 21.830 -4.379 14.002
720 HA GLU 91 HA GLU 91 23.955 -5.311 12.208
721 HB2 GLU 91 1HB GLU 91 22.323 -3.712 11.246
722 HB3 GLU 91 2HB GLU 91 22.785 -2.534 12.467
723 HG2 GLU 91 1HG GLU 91 25.022 -2.428 11.581
724 HG3 GLU 91 2HG GLU 91 24.656 -3.706 10.422
725 H HIS 92 H HIS 92 25.778 -5.600 13.272
726 HA HIS 92 HA HIS 92 26.523 -3.748 15.423
727 HB2 HIS 92 1HB HIS 92 26.641 -6.249 15.778
728 HB3 HIS 92 2HB HIS 92 27.921 -6.298 14.571
729 HD1 HIS 92 HD1 HIS 92 27.259 -5.566 18.125
730 HD2 HIS 92 HD2 HIS 92 30.364 -5.037 15.405
731 HE1 HIS 92 HE1 HIS 92 29.292 -5.015 19.507
732 HE2 HIS 92 HE2 HIS 92 31.149 -4.640 17.839
733 H HIS 93 H HIS 93 28.315 -2.421 15.266
734 HA HIS 93 HA HIS 93 29.415 -2.236 12.539
735 HB2 HIS 93 1HB HIS 93 28.726 -0.147 14.569
736 HB3 HIS 93 2HB HIS 93 29.928 0.192 13.327
737 HD1 HIS 93 HD1 HIS 93 29.111 0.658 11.001
738 HD2 HIS 93 HD2 HIS 93 26.080 -0.600 13.552
739 HE1 HIS 93 HE1 HIS 93 26.970 1.003 9.727
740 HE2 HIS 93 HE2 HIS 93 25.180 0.011 11.196
741 H HIS 94 H HIS 94 31.461 -2.588 12.214
742 HA HIS 94 HA HIS 94 33.343 -2.529 14.466
743 HB2 HIS 94 1HB HIS 94 33.512 -3.770 11.714
744 HB3 HIS 94 2HB HIS 94 34.898 -3.647 12.789
745 HD1 HIS 94 HD1 HIS 94 31.687 -5.490 12.295
746 HD2 HIS 94 HD2 HIS 94 34.903 -5.443 14.934
747 HE1 HIS 94 HE1 HIS 94 31.496 -7.609 13.641
748 HE2 HIS 94 HE2 HIS 94 33.504 -7.606 15.170
749 H HIS 95 H HIS 95 34.754 -0.914 14.640
750 HA HIS 95 HA HIS 95 35.363 0.664 12.223
751 HB2 HIS 95 1HB HIS 95 35.236 1.657 15.084
752 HB3 HIS 95 2HB HIS 95 35.726 2.618 13.695
753 HD1 HIS 95 HD1 HIS 95 33.060 2.598 15.786
754 HD2 HIS 95 HD2 HIS 95 33.293 2.121 11.663
755 HE1 HIS 95 HE1 HIS 95 30.788 3.204 14.905
756 HE2 HIS 95 HE2 HIS 95 31.005 3.084 12.397
757 H HIS 96 H HIS 96 37.263 -0.247 11.634
758 HA HIS 96 HA HIS 96 39.168 -1.190 13.537
759 HB2 HIS 96 1HB HIS 96 38.978 -2.190 11.289
760 HB3 HIS 96 2HB HIS 96 39.520 -0.674 10.574
761 HD1 HIS 96 HD1 HIS 96 42.029 -0.125 10.694
762 HD2 HIS 96 HD2 HIS 96 40.998 -3.712 12.540
763 HE1 HIS 96 HE1 HIS 96 44.203 -1.297 11.169
764 HE2 HIS 96 HE2 HIS 96 43.552 -3.515 12.179
765 H HIS 97 H HIS 97 40.130 0.241 14.821
766 HA HIS 97 HA HIS 97 41.099 2.759 13.725
767 HB2 HIS 97 1HB HIS 97 39.969 2.786 15.920
768 HB3 HIS 97 2HB HIS 97 41.193 1.697 16.561
769 HD1 HIS 97 HD1 HIS 97 40.625 5.261 15.573
770 HD2 HIS 97 HD2 HIS 97 43.654 2.893 17.174
771 HE1 HIS 97 HE1 HIS 97 42.389 6.861 16.385
772 HE2 HIS 97 HE2 HIS 97 44.171 5.417 17.433
Start of MODEL 4
1 H1 MET 1 1H MET 1 -6.812 -18.764 -7.547
2 H2 MET 1 2H MET 1 -6.572 -17.536 -6.402
3 H3 MET 1 3H MET 1 -7.374 -18.962 -5.958
4 HA MET 1 HA MET 1 -5.133 -18.973 -5.117
5 HB2 MET 1 1HB MET 1 -5.623 -20.878 -7.411
6 HB3 MET 1 2HB MET 1 -4.310 -21.060 -6.257
7 HG2 MET 1 1HG MET 1 -6.005 -21.182 -4.445
8 HG3 MET 1 2HG MET 1 -7.259 -21.168 -5.684
9 HE1 MET 1 3HE MET 1 -3.741 -22.886 -5.904
10 HE2 MET 1 1HE MET 1 -4.095 -24.509 -5.309
11 HE3 MET 1 2HE MET 1 -4.182 -23.129 -4.214
12 H ALA 2 H ALA 2 -3.442 -17.691 -5.327
13 HA ALA 2 HA ALA 2 -1.844 -17.848 -7.751
14 HB1 ALA 2 3HB ALA 2 -3.329 -15.953 -8.204
15 HB2 ALA 2 1HB ALA 2 -1.663 -15.416 -7.990
16 HB3 ALA 2 2HB ALA 2 -2.835 -15.198 -6.689
17 HA PRO 3 HA PRO 3 1.386 -17.724 -4.684
18 HB2 PRO 3 1HB PRO 3 3.089 -16.550 -6.778
19 HB3 PRO 3 2HB PRO 3 3.291 -18.055 -5.879
20 HG2 PRO 3 1HG PRO 3 2.585 -18.052 -8.469
21 HG3 PRO 3 2HG PRO 3 1.955 -19.260 -7.333
22 HD2 PRO 3 1HD PRO 3 0.626 -16.804 -8.421
23 HD3 PRO 3 2HD PRO 3 -0.053 -18.420 -8.132
24 H LEU 4 H LEU 4 2.730 -16.204 -3.589
25 HA LEU 4 HA LEU 4 1.596 -13.510 -3.753
26 HB2 LEU 4 1HB LEU 4 1.427 -14.922 -1.660
27 HB3 LEU 4 2HB LEU 4 3.161 -14.742 -1.497
28 HG LEU 4 HG LEU 4 2.867 -12.295 -1.327
29 HD11 LEU 4 1HD1 LEU 4 0.624 -11.396 -0.966
30 HD12 LEU 4 2HD1 LEU 4 -0.073 -12.981 -1.297
31 HD13 LEU 4 3HD1 LEU 4 0.774 -12.103 -2.572
32 HD21 LEU 4 3HD2 LEU 4 1.265 -13.936 0.627
33 HD22 LEU 4 1HD2 LEU 4 1.958 -12.344 0.934
34 HD23 LEU 4 2HD2 LEU 4 3.015 -13.728 0.648
35 H GLN 5 H GLN 5 2.810 -11.899 -4.501
36 HA GLN 5 HA GLN 5 5.717 -12.252 -4.551
37 HB2 GLN 5 1HB GLN 5 3.882 -10.347 -5.999
38 HB3 GLN 5 2HB GLN 5 5.630 -10.150 -5.989
39 HG2 GLN 5 1HG GLN 5 5.881 -12.361 -7.002
40 HG3 GLN 5 2HG GLN 5 4.128 -12.546 -7.025
41 HE21 GLN 5 2HE2 GLN 5 6.097 -12.522 -9.208
42 HE22 GLN 5 1HE2 GLN 5 5.567 -11.278 -10.290
43 H GLN 6 H GLN 6 6.881 -11.376 -3.012
44 HA GLN 6 HA GLN 6 5.735 -9.122 -1.508
45 HB2 GLN 6 1HB GLN 6 7.482 -11.388 -0.557
46 HB3 GLN 6 2HB GLN 6 7.192 -9.937 0.391
47 HG2 GLN 6 1HG GLN 6 4.781 -10.431 0.355
48 HG3 GLN 6 2HG GLN 6 5.123 -11.922 -0.523
49 HE21 GLN 6 2HE2 GLN 6 3.916 -11.455 2.122
50 HE22 GLN 6 1HE2 GLN 6 4.874 -12.376 3.231
51 H LYS 7 H LYS 7 6.787 -7.307 -1.565
52 HA LYS 7 HA LYS 7 9.704 -7.299 -1.693
53 HB2 LYS 7 1HB LYS 7 8.855 -6.967 -4.028
54 HB3 LYS 7 2HB LYS 7 7.984 -5.547 -3.470
55 HG2 LYS 7 1HG LYS 7 9.997 -4.834 -4.534
56 HG3 LYS 7 2HG LYS 7 10.157 -4.544 -2.801
57 HD2 LYS 7 1HD LYS 7 11.476 -6.580 -2.571
58 HD3 LYS 7 2HD LYS 7 11.283 -6.913 -4.293
59 HE2 LYS 7 1HE LYS 7 13.452 -5.940 -3.918
60 HE3 LYS 7 2HE LYS 7 12.446 -4.786 -4.791
61 HZ1 LYS 7 3HZ LYS 7 12.054 -3.603 -2.737
62 HZ2 LYS 7 1HZ LYS 7 13.724 -3.747 -3.001
63 HZ3 LYS 7 2HZ LYS 7 12.951 -4.742 -1.864
64 H GLN 8 H GLN 8 10.577 -5.646 -0.441
65 HA GLN 8 HA GLN 8 8.740 -4.260 1.274
66 HB2 GLN 8 1HB GLN 8 11.742 -3.986 1.038
67 HB3 GLN 8 2HB GLN 8 10.748 -3.299 2.318
68 HG2 GLN 8 1HG GLN 8 10.023 -5.641 2.868
69 HG3 GLN 8 2HG GLN 8 11.263 -6.204 1.749
70 HE21 GLN 8 2HE2 GLN 8 11.008 -6.657 4.596
71 HE22 GLN 8 1HE2 GLN 8 12.451 -6.040 5.333
72 H VAL 9 H VAL 9 8.016 -2.265 1.119
73 HA VAL 9 HA VAL 9 9.053 -0.522 -1.008
74 HB VAL 9 HB VAL 9 6.680 0.112 -1.534
75 HG11 VAL 9 1HG1 VAL 9 7.922 -1.367 -3.019
76 HG12 VAL 9 2HG1 VAL 9 6.227 -1.850 -2.949
77 HG13 VAL 9 3HG1 VAL 9 7.443 -2.764 -2.056
78 HG21 VAL 9 3HG2 VAL 9 5.623 -0.688 0.500
79 HG22 VAL 9 1HG2 VAL 9 6.043 -2.352 0.088
80 HG23 VAL 9 2HG2 VAL 9 4.896 -1.458 -0.911
81 H VAL 10 H VAL 10 7.832 1.669 -0.819
82 HA VAL 10 HA VAL 10 7.625 2.403 2.033
83 HB VAL 10 HB VAL 10 8.354 4.237 -0.256
84 HG11 VAL 10 1HG1 VAL 10 9.076 5.770 1.516
85 HG12 VAL 10 2HG1 VAL 10 8.528 4.619 2.733
86 HG13 VAL 10 3HG1 VAL 10 7.361 5.377 1.648
87 HG21 VAL 10 3HG2 VAL 10 10.106 2.573 0.003
88 HG22 VAL 10 1HG2 VAL 10 10.188 2.903 1.733
89 HG23 VAL 10 2HG2 VAL 10 10.664 4.145 0.576
90 H VAL 11 H VAL 11 5.691 3.243 2.661
91 HA VAL 11 HA VAL 11 3.600 3.642 0.722
92 HB VAL 11 HB VAL 11 3.549 4.367 3.657
93 HG11 VAL 11 1HG1 VAL 11 1.340 3.771 1.694
94 HG12 VAL 11 2HG1 VAL 11 1.750 5.357 2.350
95 HG13 VAL 11 3HG1 VAL 11 1.125 4.097 3.414
96 HG21 VAL 11 3HG2 VAL 11 4.177 2.030 3.405
97 HG22 VAL 11 1HG2 VAL 11 2.811 1.765 2.324
98 HG23 VAL 11 2HG2 VAL 11 2.527 2.163 4.020
99 H SER 12 H SER 12 3.823 5.365 -0.573
100 HA SER 12 HA SER 12 5.472 7.565 0.156
101 HB2 SER 12 1HB SER 12 3.668 7.378 -2.257
102 HB3 SER 12 2HB SER 12 5.136 8.337 -2.084
103 HG SER 12 HG SER 12 5.404 6.364 -3.279
104 H ASN 13 H ASN 13 2.057 7.547 -0.908
105 HA ASN 13 HA ASN 13 1.561 9.854 0.802
106 HB2 ASN 13 1HB ASN 13 2.467 10.504 -1.565
107 HB3 ASN 13 2HB ASN 13 0.854 10.067 -2.110
108 HD21 ASN 13 2HD2 ASN 13 2.088 12.619 -2.264
109 HD22 ASN 13 1HD2 ASN 13 1.127 13.724 -1.323
110 H LYS 14 H LYS 14 -0.639 10.331 1.068
111 HA LYS 14 HA LYS 14 -2.475 8.159 0.306
112 HB2 LYS 14 1HB LYS 14 -2.324 8.138 2.658
113 HB3 LYS 14 2HB LYS 14 -2.278 9.893 2.760
114 HG2 LYS 14 1HG LYS 14 -4.639 9.970 2.060
115 HG3 LYS 14 2HG LYS 14 -4.669 8.206 2.037
116 HD2 LYS 14 1HD LYS 14 -5.620 9.116 4.108
117 HD3 LYS 14 2HD LYS 14 -4.187 8.137 4.412
118 HE2 LYS 14 1HE LYS 14 -4.164 10.155 5.781
119 HE3 LYS 14 2HE LYS 14 -2.838 10.172 4.620
120 HZ1 LYS 14 3HZ LYS 14 -3.790 11.854 3.417
121 HZ2 LYS 14 1HZ LYS 14 -4.303 12.277 4.975
122 HZ3 LYS 14 2HZ LYS 14 -5.369 11.495 3.914
123 H ARG 15 H ARG 15 -4.017 8.722 -1.112
124 HA ARG 15 HA ARG 15 -5.103 11.446 -0.982
125 HB2 ARG 15 1HB ARG 15 -4.248 10.077 -3.545
126 HB3 ARG 15 2HB ARG 15 -5.206 11.547 -3.471
127 HG2 ARG 15 1HG ARG 15 -3.182 12.487 -3.787
128 HG3 ARG 15 2HG ARG 15 -3.113 12.351 -2.029
129 HD2 ARG 15 1HD ARG 15 -1.053 11.542 -3.006
130 HD3 ARG 15 2HD ARG 15 -1.933 10.208 -2.262
131 HE ARG 15 HE ARG 15 -2.760 9.929 -4.735
132 HH11 ARG 15 1HH1 ARG 15 0.447 10.718 -3.627
133 HH12 ARG 15 2HH1 ARG 15 1.250 9.927 -4.947
134 HH21 ARG 15 1HH2 ARG 15 -1.731 8.913 -6.511
135 HH22 ARG 15 2HH2 ARG 15 0.008 8.907 -6.596
136 H GLU 16 H GLU 16 -7.052 11.535 -2.551
137 HA GLU 16 HA GLU 16 -8.402 8.936 -2.752
138 HB2 GLU 16 1HB GLU 16 -9.360 10.314 -0.874
139 HB3 GLU 16 2HB GLU 16 -9.775 11.546 -2.057
140 HG2 GLU 16 1HG GLU 16 -11.234 9.950 -3.202
141 HG3 GLU 16 2HG GLU 16 -10.818 8.725 -2.004
142 H LYS 17 H LYS 17 -8.327 8.574 -4.894
143 HA LYS 17 HA LYS 17 -8.372 10.858 -6.699
144 HB2 LYS 17 1HB LYS 17 -7.632 7.971 -6.996
145 HB3 LYS 17 2HB LYS 17 -7.998 8.931 -8.424
146 HG2 LYS 17 1HG LYS 17 -5.889 9.614 -6.375
147 HG3 LYS 17 2HG LYS 17 -5.589 8.847 -7.939
148 HD2 LYS 17 1HD LYS 17 -6.518 10.790 -9.082
149 HD3 LYS 17 2HD LYS 17 -6.858 11.555 -7.531
150 HE2 LYS 17 1HE LYS 17 -4.461 11.585 -7.030
151 HE3 LYS 17 2HE LYS 17 -4.130 10.821 -8.585
152 HZ1 LYS 17 3HZ LYS 17 -3.799 13.211 -8.699
153 HZ2 LYS 17 1HZ LYS 17 -5.396 13.484 -8.196
154 HZ3 LYS 17 2HZ LYS 17 -5.094 12.747 -9.692
155 HA PRO 18 HA PRO 18 -12.729 10.670 -7.170
156 HB2 PRO 18 1HB PRO 18 -12.071 11.996 -9.751
157 HB3 PRO 18 2HB PRO 18 -13.190 12.500 -8.481
158 HG2 PRO 18 1HG PRO 18 -10.832 13.706 -8.784
159 HG3 PRO 18 2HG PRO 18 -11.506 13.402 -7.172
160 HD2 PRO 18 1HD PRO 18 -9.314 11.981 -8.611
161 HD3 PRO 18 2HD PRO 18 -9.489 12.334 -6.880
162 H VAL 19 H VAL 19 -13.620 8.791 -7.685
163 HA VAL 19 HA VAL 19 -12.840 7.303 -10.025
164 HB VAL 19 HB VAL 19 -15.214 6.833 -8.206
165 HG11 VAL 19 1HG1 VAL 19 -15.161 4.555 -9.089
166 HG12 VAL 19 2HG1 VAL 19 -13.825 4.994 -10.154
167 HG13 VAL 19 3HG1 VAL 19 -15.412 5.731 -10.380
168 HG21 VAL 19 3HG2 VAL 19 -12.450 5.633 -8.112
169 HG22 VAL 19 1HG2 VAL 19 -13.813 5.159 -7.099
170 HG23 VAL 19 2HG2 VAL 19 -13.124 6.777 -6.952
171 H ASN 20 H ASN 20 -13.253 8.600 -11.770
172 HA ASN 20 HA ASN 20 -15.825 9.844 -12.110
173 HB2 ASN 20 1HB ASN 20 -13.739 10.891 -12.960
174 HB3 ASN 20 2HB ASN 20 -13.563 9.564 -14.103
175 HD21 ASN 20 2HD2 ASN 20 -15.380 12.391 -13.250
176 HD22 ASN 20 1HD2 ASN 20 -16.200 12.577 -14.765
177 H ASP 21 H ASP 21 -17.402 8.341 -12.269
178 HA ASP 21 HA ASP 21 -17.122 6.073 -14.024
179 HB2 ASP 21 1HB ASP 21 -18.450 5.949 -11.919
180 HB3 ASP 21 2HB ASP 21 -19.605 7.083 -12.617
181 H ARG 22 H ARG 22 -18.577 5.674 -15.830
182 HA ARG 22 HA ARG 22 -18.847 8.172 -17.346
183 HB2 ARG 22 1HB ARG 22 -18.520 5.331 -18.320
184 HB3 ARG 22 2HB ARG 22 -18.624 6.756 -19.347
185 HG2 ARG 22 1HG ARG 22 -16.458 7.155 -19.122
186 HG3 ARG 22 2HG ARG 22 -16.572 7.092 -17.363
187 HD2 ARG 22 1HD ARG 22 -16.247 4.742 -19.227
188 HD3 ARG 22 2HD ARG 22 -15.007 5.419 -18.172
189 HE ARG 22 HE ARG 22 -17.471 4.122 -17.175
190 HH11 ARG 22 1HH1 ARG 22 -14.040 4.789 -16.939
191 HH12 ARG 22 2HH1 ARG 22 -13.823 3.822 -15.518
192 HH21 ARG 22 1HH2 ARG 22 -17.194 2.865 -15.312
193 HH22 ARG 22 2HH2 ARG 22 -15.616 2.717 -14.588
194 H ARG 23 H ARG 23 -20.809 6.224 -15.638
195 HA ARG 23 HA ARG 23 -23.057 6.787 -17.442
196 HB2 ARG 23 1HB ARG 23 -22.459 4.410 -17.675
197 HB3 ARG 23 2HB ARG 23 -22.649 4.196 -15.941
198 HG2 ARG 23 1HG ARG 23 -24.574 3.360 -17.170
199 HG3 ARG 23 2HG ARG 23 -25.016 4.704 -16.118
200 HD2 ARG 23 1HD ARG 23 -25.043 6.221 -17.994
201 HD3 ARG 23 2HD ARG 23 -24.444 4.956 -19.068
202 HE ARG 23 HE ARG 23 -26.556 3.849 -18.868
203 HH11 ARG 23 1HH1 ARG 23 -26.456 7.102 -17.564
204 HH12 ARG 23 2HH1 ARG 23 -28.184 7.269 -17.521
205 HH21 ARG 23 1HH2 ARG 23 -28.825 4.073 -18.815
206 HH22 ARG 23 2HH2 ARG 23 -29.531 5.547 -18.229
207 H SER 24 H SER 24 -23.139 5.024 -14.405
208 HA SER 24 HA SER 24 -23.707 7.063 -12.626
209 HB2 SER 24 1HB SER 24 -26.189 6.899 -12.453
210 HB3 SER 24 2HB SER 24 -25.662 7.605 -13.980
211 HG SER 24 HG SER 24 -27.229 6.087 -14.429
212 H ARG 25 H ARG 25 -24.829 6.211 -10.629
213 HA ARG 25 HA ARG 25 -23.831 3.541 -10.101
214 HB2 ARG 25 1HB ARG 25 -25.357 5.357 -8.232
215 HB3 ARG 25 2HB ARG 25 -24.326 4.002 -7.795
216 HG2 ARG 25 1HG ARG 25 -22.370 5.196 -8.536
217 HG3 ARG 25 2HG ARG 25 -23.369 6.526 -9.123
218 HD2 ARG 25 1HD ARG 25 -24.210 6.749 -6.740
219 HD3 ARG 25 2HD ARG 25 -22.896 5.665 -6.281
220 HE ARG 25 HE ARG 25 -21.870 7.779 -7.837
221 HH11 ARG 25 1HH1 ARG 25 -23.185 7.163 -4.635
222 HH12 ARG 25 2HH1 ARG 25 -22.359 8.517 -3.919
223 HH21 ARG 25 1HH2 ARG 25 -20.793 9.541 -6.874
224 HH22 ARG 25 2HH2 ARG 25 -21.004 9.858 -5.178
225 H GLN 26 H GLN 26 -26.513 4.611 -11.527
226 HA GLN 26 HA GLN 26 -28.588 3.245 -10.109
227 HB2 GLN 26 1HB GLN 26 -28.559 4.305 -12.940
228 HB3 GLN 26 2HB GLN 26 -29.986 3.853 -12.019
229 HG2 GLN 26 1HG GLN 26 -29.647 5.663 -10.489
230 HG3 GLN 26 2HG GLN 26 -28.094 6.053 -11.230
231 HE21 GLN 26 2HE2 GLN 26 -30.469 7.710 -10.874
232 HE22 GLN 26 1HE2 GLN 26 -30.934 8.231 -12.461
233 H GLN 27 H GLN 27 -26.207 2.314 -12.356
234 HA GLN 27 HA GLN 27 -27.681 0.193 -13.604
235 HB2 GLN 27 1HB GLN 27 -25.832 1.364 -14.739
236 HB3 GLN 27 2HB GLN 27 -24.705 0.723 -13.551
237 HG2 GLN 27 1HG GLN 27 -25.121 -1.525 -14.301
238 HG3 GLN 27 2HG GLN 27 -26.369 -0.957 -15.410
239 HE21 GLN 27 2HE2 GLN 27 -23.911 -2.445 -15.933
240 HE22 GLN 27 1HE2 GLN 27 -23.016 -1.492 -17.083
241 H GLU 28 H GLU 28 -25.074 0.327 -11.189
242 HA GLU 28 HA GLU 28 -25.384 -2.527 -10.677
243 HB2 GLU 28 1HB GLU 28 -23.358 -0.486 -9.767
244 HB3 GLU 28 2HB GLU 28 -23.401 -2.125 -9.135
245 HG2 GLU 28 1HG GLU 28 -23.112 -1.466 -12.056
246 HG3 GLU 28 2HG GLU 28 -21.752 -1.734 -10.967
247 H VAL 29 H VAL 29 -24.855 -2.886 -8.099
248 HA VAL 29 HA VAL 29 -27.261 -2.172 -6.777
249 HB VAL 29 HB VAL 29 -24.727 -3.219 -5.504
250 HG11 VAL 29 1HG1 VAL 29 -26.375 -2.373 -3.915
251 HG12 VAL 29 2HG1 VAL 29 -26.223 -4.127 -3.801
252 HG13 VAL 29 3HG1 VAL 29 -27.607 -3.413 -4.630
253 HG21 VAL 29 3HG2 VAL 29 -27.010 -4.759 -6.732
254 HG22 VAL 29 1HG2 VAL 29 -25.685 -5.461 -5.805
255 HG23 VAL 29 2HG2 VAL 29 -25.360 -4.667 -7.344
256 H SER 30 H SER 30 -23.916 -1.125 -6.477
257 HA SER 30 HA SER 30 -22.931 0.728 -5.652
258 HB2 SER 30 1HB SER 30 -24.607 1.944 -7.028
259 HB3 SER 30 2HB SER 30 -25.702 1.956 -5.645
260 HG SER 30 HG SER 30 -24.697 3.685 -5.034
261 HA PRO 31 HA PRO 31 -24.058 -0.042 -1.310
262 HB2 PRO 31 1HB PRO 31 -21.972 -1.564 -0.624
263 HB3 PRO 31 2HB PRO 31 -23.338 -2.244 -1.514
264 HG2 PRO 31 1HG PRO 31 -20.609 -1.595 -2.455
265 HG3 PRO 31 2HG PRO 31 -21.752 -2.803 -3.063
266 HD2 PRO 31 1HD PRO 31 -21.239 -0.185 -4.107
267 HD3 PRO 31 2HD PRO 31 -22.418 -1.375 -4.687
268 H ALA 32 H ALA 32 -22.281 1.980 -2.867
269 HA ALA 32 HA ALA 32 -21.070 3.822 -2.369
270 HB1 ALA 32 3HB ALA 32 -22.425 3.971 -0.327
271 HB2 ALA 32 1HB ALA 32 -20.778 4.559 -0.090
272 HB3 ALA 32 2HB ALA 32 -21.243 2.968 0.514
273 H GLY 33 H GLY 33 -19.973 0.972 -0.548
274 HA2 GLY 33 1HA GLY 33 -17.900 -0.091 -0.726
275 HA3 GLY 33 2HA GLY 33 -17.336 1.232 -1.743
276 H THR 34 H THR 34 -17.168 3.370 -0.552
277 HA THR 34 HA THR 34 -16.719 3.250 2.294
278 HB THR 34 HB THR 34 -14.376 3.974 0.508
279 HG1 THR 34 HG1 THR 34 -15.214 1.555 1.364
280 HG21 THR 34 3HG2 THR 34 -13.113 4.011 2.615
281 HG22 THR 34 1HG2 THR 34 -14.596 3.662 3.505
282 HG23 THR 34 2HG2 THR 34 -14.430 5.184 2.630
283 H SER 35 H SER 35 -17.311 5.175 3.137
284 HA SER 35 HA SER 35 -18.407 7.213 1.598
285 HB2 SER 35 1HB SER 35 -17.269 7.505 4.384
286 HB3 SER 35 2HB SER 35 -18.535 8.490 3.651
287 HG SER 35 HG SER 35 -19.932 6.783 3.738
288 H MET 36 H MET 36 -15.368 7.362 3.420
289 HA MET 36 HA MET 36 -14.256 9.046 1.277
290 HB2 MET 36 1HB MET 36 -13.735 9.226 4.252
291 HB3 MET 36 2HB MET 36 -12.780 10.063 3.035
292 HG2 MET 36 1HG MET 36 -14.802 11.263 2.312
293 HG3 MET 36 2HG MET 36 -15.711 10.461 3.591
294 HE1 MET 36 3HE MET 36 -12.781 12.931 2.764
295 HE2 MET 36 1HE MET 36 -12.000 11.716 3.776
296 HE3 MET 36 2HE MET 36 -12.212 13.362 4.377
297 H ARG 37 H ARG 37 -12.676 8.046 0.236
298 HA ARG 37 HA ARG 37 -11.621 5.580 1.404
299 HB2 ARG 37 1HB ARG 37 -11.290 6.688 -1.388
300 HB3 ARG 37 2HB ARG 37 -10.790 5.093 -0.844
301 HG2 ARG 37 1HG ARG 37 -13.136 4.519 -0.422
302 HG3 ARG 37 2HG ARG 37 -13.617 6.112 -1.018
303 HD2 ARG 37 1HD ARG 37 -12.288 3.888 -2.553
304 HD3 ARG 37 2HD ARG 37 -13.891 4.573 -2.816
305 HE ARG 37 HE ARG 37 -11.346 5.661 -3.691
306 HH11 ARG 37 1HH1 ARG 37 -14.750 6.261 -3.134
307 HH12 ARG 37 2HH1 ARG 37 -14.812 7.660 -4.159
308 HH21 ARG 37 1HH2 ARG 37 -11.417 7.486 -5.055
309 HH22 ARG 37 2HH2 ARG 37 -12.908 8.361 -5.253
310 H TYR 38 H TYR 38 -9.466 5.157 1.654
311 HA TYR 38 HA TYR 38 -7.645 7.431 1.282
312 HB2 TYR 38 1HB TYR 38 -7.594 5.227 3.346
313 HB3 TYR 38 2HB TYR 38 -6.225 6.291 3.040
314 HD1 TYR 38 HD2 TYR 38 -8.052 8.762 2.485
315 HD2 TYR 38 HD1 TYR 38 -7.847 5.924 5.651
316 HE1 TYR 38 HE2 TYR 38 -8.966 10.433 4.034
317 HE2 TYR 38 HE1 TYR 38 -8.765 7.592 7.207
318 HH TYR 38 HH TYR 38 -8.814 10.135 7.338
319 H GLU 39 H GLU 39 -6.741 7.089 -0.607
320 HA GLU 39 HA GLU 39 -5.971 4.357 -1.340
321 HB2 GLU 39 1HB GLU 39 -6.205 6.790 -3.123
322 HB3 GLU 39 2HB GLU 39 -6.047 5.109 -3.631
323 HG2 GLU 39 1HG GLU 39 -8.225 4.587 -2.741
324 HG3 GLU 39 2HG GLU 39 -8.381 6.209 -2.075
325 H ALA 40 H ALA 40 -3.878 3.835 -1.411
326 HA ALA 40 HA ALA 40 -1.979 6.033 -0.912
327 HB1 ALA 40 3HB ALA 40 -1.903 3.258 0.268
328 HB2 ALA 40 1HB ALA 40 -2.462 4.708 1.105
329 HB3 ALA 40 2HB ALA 40 -0.776 4.573 0.602
330 H SER 41 H SER 41 -0.137 6.071 -2.008
331 HA SER 41 HA SER 41 0.274 4.058 -4.081
332 HB2 SER 41 1HB SER 41 1.715 6.689 -3.663
333 HB3 SER 41 2HB SER 41 1.763 5.675 -5.105
334 HG SER 41 HG SER 41 -0.391 6.154 -5.491
335 H PHE 42 H PHE 42 1.893 2.631 -4.015
336 HA PHE 42 HA PHE 42 3.776 2.795 -1.768
337 HB2 PHE 42 1HB PHE 42 2.979 0.461 -3.522
338 HB3 PHE 42 2HB PHE 42 4.194 0.382 -2.251
339 HD1 PHE 42 HD2 PHE 42 3.563 0.444 0.083
340 HD2 PHE 42 HD1 PHE 42 0.623 0.611 -2.990
341 HE1 PHE 42 HE2 PHE 42 1.811 -0.065 1.734
342 HE2 PHE 42 HE1 PHE 42 -1.133 0.104 -1.344
343 HZ PHE 42 HZ PHE 42 -0.539 -0.238 1.023
344 H LYS 43 H LYS 43 5.870 3.017 -2.060
345 HA LYS 43 HA LYS 43 6.813 3.603 -4.761
346 HB2 LYS 43 1HB LYS 43 7.080 5.215 -2.850
347 HB3 LYS 43 2HB LYS 43 8.159 4.055 -2.091
348 HG2 LYS 43 1HG LYS 43 9.703 4.257 -3.973
349 HG3 LYS 43 2HG LYS 43 8.616 5.421 -4.736
350 HD2 LYS 43 1HD LYS 43 8.842 6.858 -2.712
351 HD3 LYS 43 2HD LYS 43 10.056 5.731 -2.103
352 HE2 LYS 43 1HE LYS 43 11.113 7.643 -3.171
353 HE3 LYS 43 2HE LYS 43 11.441 6.163 -4.073
354 HZ1 LYS 43 3HZ LYS 43 10.848 8.077 -5.492
355 HZ2 LYS 43 1HZ LYS 43 9.312 8.113 -4.771
356 HZ3 LYS 43 2HZ LYS 43 9.797 6.760 -5.680
357 HA PRO 44 HA PRO 44 8.680 -0.489 -4.649
358 HB2 PRO 44 1HB PRO 44 9.578 0.230 -7.350
359 HB3 PRO 44 2HB PRO 44 8.527 -1.093 -6.838
360 HG2 PRO 44 1HG PRO 44 7.577 1.023 -8.197
361 HG3 PRO 44 2HG PRO 44 6.618 0.202 -6.950
362 HD2 PRO 44 1HD PRO 44 8.177 2.759 -6.766
363 HD3 PRO 44 2HD PRO 44 6.559 2.379 -6.133
364 H LEU 45 H LEU 45 10.581 -0.846 -3.720
365 HA LEU 45 HA LEU 45 12.725 1.058 -3.900
366 HB2 LEU 45 1HB LEU 45 12.558 -1.645 -2.571
367 HB3 LEU 45 2HB LEU 45 13.942 -0.576 -2.451
368 HG LEU 45 HG LEU 45 11.158 -0.005 -1.426
369 HD11 LEU 45 1HD1 LEU 45 12.350 -1.630 -0.078
370 HD12 LEU 45 2HD1 LEU 45 12.240 -0.089 0.773
371 HD13 LEU 45 3HD1 LEU 45 13.753 -0.564 0.001
372 HD21 LEU 45 3HD2 LEU 45 13.670 1.663 -1.284
373 HD22 LEU 45 1HD2 LEU 45 12.151 2.019 -0.460
374 HD23 LEU 45 2HD2 LEU 45 12.223 2.035 -2.221
375 H ASN 46 H ASN 46 11.738 -1.590 -5.722
376 HA ASN 46 HA ASN 46 14.351 -1.612 -7.083
377 HB2 ASN 46 1HB ASN 46 13.900 -3.775 -5.931
378 HB3 ASN 46 2HB ASN 46 12.422 -3.941 -6.872
379 HD21 ASN 46 2HD2 ASN 46 12.564 -4.389 -9.083
380 HD22 ASN 46 1HD2 ASN 46 14.021 -4.993 -9.800
381 H GLY 47 H GLY 47 13.857 -0.141 -8.634
382 HA2 GLY 47 1HA GLY 47 13.126 -0.058 -10.950
383 HA3 GLY 47 2HA GLY 47 11.653 -0.880 -10.453
384 H GLY 48 H GLY 48 10.142 0.603 -11.027
385 HA2 GLY 48 1HA GLY 48 9.995 2.996 -9.399
386 HA3 GLY 48 2HA GLY 48 10.156 3.281 -11.126
387 H LEU 49 H LEU 49 8.096 4.335 -10.951
388 HA LEU 49 HA LEU 49 5.871 4.496 -11.250
389 HB2 LEU 49 1HB LEU 49 6.212 2.821 -13.006
390 HB3 LEU 49 2HB LEU 49 5.997 1.539 -11.830
391 HG LEU 49 HG LEU 49 3.673 2.287 -11.459
392 HD11 LEU 49 1HD1 LEU 49 4.265 4.218 -13.697
393 HD12 LEU 49 2HD1 LEU 49 3.907 4.631 -12.020
394 HD13 LEU 49 3HD1 LEU 49 2.667 3.884 -13.028
395 HD21 LEU 49 3HD2 LEU 49 4.151 0.521 -13.067
396 HD22 LEU 49 1HD2 LEU 49 4.361 1.724 -14.339
397 HD23 LEU 49 2HD2 LEU 49 2.781 1.500 -13.590
398 H GLU 50 H GLU 50 5.159 5.077 -9.314
399 HA GLU 50 HA GLU 50 4.940 3.342 -7.075
400 HB2 GLU 50 1HB GLU 50 3.650 6.012 -7.655
401 HB3 GLU 50 2HB GLU 50 3.577 5.191 -6.100
402 HG2 GLU 50 1HG GLU 50 5.943 5.386 -5.815
403 HG3 GLU 50 2HG GLU 50 6.135 6.011 -7.453
404 H LYS 51 H LYS 51 3.390 1.976 -6.525
405 HA LYS 51 HA LYS 51 1.105 1.676 -8.304
406 HB2 LYS 51 1HB LYS 51 2.184 -0.044 -6.068
407 HB3 LYS 51 2HB LYS 51 0.737 -0.430 -6.986
408 HG2 LYS 51 1HG LYS 51 1.990 -0.693 -8.996
409 HG3 LYS 51 2HG LYS 51 3.450 -0.065 -8.228
410 HD2 LYS 51 1HD LYS 51 3.565 -1.973 -6.769
411 HD3 LYS 51 2HD LYS 51 2.014 -2.566 -7.358
412 HE2 LYS 51 1HE LYS 51 3.963 -3.753 -8.323
413 HE3 LYS 51 2HE LYS 51 2.931 -2.990 -9.530
414 HZ1 LYS 51 3HZ LYS 51 5.301 -1.582 -8.498
415 HZ2 LYS 51 1HZ LYS 51 4.498 -1.374 -9.974
416 HZ3 LYS 51 2HZ LYS 51 5.468 -2.743 -9.716
417 H THR 52 H THR 52 -0.719 2.713 -7.837
418 HA THR 52 HA THR 52 -1.247 3.466 -5.058
419 HB THR 52 HB THR 52 -2.746 4.282 -7.558
420 HG1 THR 52 HG1 THR 52 -0.646 5.141 -7.593
421 HG21 THR 52 3HG2 THR 52 -2.809 5.380 -4.744
422 HG22 THR 52 1HG2 THR 52 -4.086 4.441 -5.517
423 HG23 THR 52 2HG2 THR 52 -3.678 6.045 -6.126
424 H PHE 53 H PHE 53 -2.409 2.113 -3.880
425 HA PHE 53 HA PHE 53 -4.515 0.551 -5.222
426 HB2 PHE 53 1HB PHE 53 -2.949 -0.096 -2.714
427 HB3 PHE 53 2HB PHE 53 -4.310 -1.039 -3.308
428 HD1 PHE 53 HD1 PHE 53 -4.092 -1.873 -5.779
429 HD2 PHE 53 HD2 PHE 53 -0.816 -0.703 -3.330
430 HE1 PHE 53 HE1 PHE 53 -2.571 -3.197 -7.188
431 HE2 PHE 53 HE2 PHE 53 0.712 -2.023 -4.736
432 HZ PHE 53 HZ PHE 53 -0.166 -3.273 -6.669
433 H ARG 54 H ARG 54 -6.564 0.665 -4.459
434 HA ARG 54 HA ARG 54 -7.174 2.876 -2.720
435 HB2 ARG 54 1HB ARG 54 -9.106 0.834 -3.815
436 HB3 ARG 54 2HB ARG 54 -9.474 2.450 -3.230
437 HG2 ARG 54 1HG ARG 54 -8.029 3.305 -5.133
438 HG3 ARG 54 2HG ARG 54 -8.089 1.659 -5.771
439 HD2 ARG 54 1HD ARG 54 -10.611 1.841 -5.576
440 HD3 ARG 54 2HD ARG 54 -10.363 3.566 -5.307
441 HE ARG 54 HE ARG 54 -9.818 2.094 -7.790
442 HH11 ARG 54 1HH1 ARG 54 -9.933 5.152 -6.070
443 HH12 ARG 54 2HH1 ARG 54 -10.021 6.096 -7.527
444 HH21 ARG 54 1HH2 ARG 54 -9.969 3.325 -9.693
445 HH22 ARG 54 2HH2 ARG 54 -10.047 5.063 -9.590
446 H LEU 55 H LEU 55 -7.622 2.793 -0.610
447 HA LEU 55 HA LEU 55 -7.947 0.130 0.603
448 HB2 LEU 55 1HB LEU 55 -6.467 2.509 1.730
449 HB3 LEU 55 2HB LEU 55 -6.773 1.019 2.598
450 HG LEU 55 HG LEU 55 -5.114 1.237 0.085
451 HD11 LEU 55 1HD1 LEU 55 -4.279 0.931 2.968
452 HD12 LEU 55 2HD1 LEU 55 -4.034 2.355 1.957
453 HD13 LEU 55 3HD1 LEU 55 -3.204 0.848 1.573
454 HD21 LEU 55 3HD2 LEU 55 -4.447 -1.050 0.603
455 HD22 LEU 55 1HD2 LEU 55 -6.189 -0.943 0.359
456 HD23 LEU 55 2HD2 LEU 55 -5.535 -1.064 1.992
457 H GLN 56 H GLN 56 -9.475 -0.116 2.134
458 HA GLN 56 HA GLN 56 -11.437 1.981 2.431
459 HB2 GLN 56 1HB GLN 56 -11.291 -0.764 3.704
460 HB3 GLN 56 2HB GLN 56 -12.672 0.322 3.775
461 HG2 GLN 56 1HG GLN 56 -12.888 0.192 1.334
462 HG3 GLN 56 2HG GLN 56 -11.530 -0.931 1.286
463 HE21 GLN 56 2HE2 GLN 56 -14.285 -1.299 0.416
464 HE22 GLN 56 1HE2 GLN 56 -14.887 -2.660 1.298
465 H ALA 57 H ALA 57 -12.278 2.256 4.815
466 HA ALA 57 HA ALA 57 -10.403 3.869 6.062
467 HB1 ALA 57 3HB ALA 57 -12.829 2.624 7.343
468 HB2 ALA 57 1HB ALA 57 -12.837 4.076 6.342
469 HB3 ALA 57 2HB ALA 57 -11.978 4.072 7.882
470 H GLN 58 H GLN 58 -11.634 0.761 7.343
471 HA GLN 58 HA GLN 58 -9.852 0.654 9.501
472 HB2 GLN 58 1HB GLN 58 -11.368 -1.529 8.084
473 HB3 GLN 58 2HB GLN 58 -10.410 -1.814 9.531
474 HG2 GLN 58 1HG GLN 58 -12.740 0.077 9.313
475 HG3 GLN 58 2HG GLN 58 -12.777 -1.529 10.037
476 HE21 GLN 58 2HE2 GLN 58 -13.328 1.119 11.175
477 HE22 GLN 58 1HE2 GLN 58 -12.295 1.245 12.561
478 H GLN 59 H GLN 59 -9.344 -0.121 6.176
479 HA GLN 59 HA GLN 59 -7.094 -1.835 6.573
480 HB2 GLN 59 1HB GLN 59 -8.156 -0.338 4.191
481 HB3 GLN 59 2HB GLN 59 -6.634 -1.217 4.122
482 HG2 GLN 59 1HG GLN 59 -7.774 -3.282 4.685
483 HG3 GLN 59 2HG GLN 59 -9.302 -2.414 4.831
484 HE21 GLN 59 2HE2 GLN 59 -8.434 -4.620 3.058
485 HE22 GLN 59 1HE2 GLN 59 -8.773 -4.061 1.454
486 H TYR 60 H TYR 60 -7.459 1.612 5.734
487 HA TYR 60 HA TYR 60 -4.691 2.145 5.587
488 HB2 TYR 60 1HB TYR 60 -6.312 3.684 4.613
489 HB3 TYR 60 2HB TYR 60 -6.953 4.057 6.213
490 HD1 TYR 60 HD2 TYR 60 -3.845 4.228 4.175
491 HD2 TYR 60 HD1 TYR 60 -6.011 5.792 7.489
492 HE1 TYR 60 HE2 TYR 60 -2.151 5.990 4.446
493 HE2 TYR 60 HE1 TYR 60 -4.321 7.552 7.772
494 HH TYR 60 HH TYR 60 -1.981 7.963 7.218
495 H HIS 61 H HIS 61 -6.868 1.881 8.288
496 HA HIS 61 HA HIS 61 -5.506 3.284 10.255
497 HB2 HIS 61 1HB HIS 61 -7.200 0.817 10.331
498 HB3 HIS 61 2HB HIS 61 -6.354 1.327 11.786
499 HD1 HIS 61 HD1 HIS 61 -7.895 2.545 13.260
500 HD2 HIS 61 HD2 HIS 61 -8.639 3.362 9.252
501 HE1 HIS 61 HE1 HIS 61 -9.810 4.173 13.243
502 HE2 HIS 61 HE2 HIS 61 -10.387 4.461 10.810
503 H ALA 62 H ALA 62 -4.647 0.248 8.751
504 HA ALA 62 HA ALA 62 -2.534 -0.214 10.724
505 HB1 ALA 62 3HB ALA 62 -3.980 -2.096 10.098
506 HB2 ALA 62 1HB ALA 62 -2.289 -2.398 9.697
507 HB3 ALA 62 2HB ALA 62 -3.431 -1.950 8.429
508 H LEU 63 H LEU 63 -2.814 1.645 8.115
509 HA LEU 63 HA LEU 63 -0.172 0.988 7.002
510 HB2 LEU 63 1HB LEU 63 -2.638 2.177 5.869
511 HB3 LEU 63 2HB LEU 63 -1.119 2.833 5.293
512 HG LEU 63 HG LEU 63 -1.948 1.102 3.799
513 HD11 LEU 63 1HD1 LEU 63 0.451 1.403 3.985
514 HD12 LEU 63 2HD1 LEU 63 0.060 -0.294 3.709
515 HD13 LEU 63 3HD1 LEU 63 0.509 0.255 5.323
516 HD21 LEU 63 3HD2 LEU 63 -2.049 -1.239 4.512
517 HD22 LEU 63 1HD2 LEU 63 -3.213 -0.238 5.382
518 HD23 LEU 63 2HD2 LEU 63 -1.718 -0.744 6.172
519 H THR 64 H THR 64 1.468 2.384 7.139
520 HA THR 64 HA THR 64 0.923 5.048 8.265
521 HB THR 64 HB THR 64 3.413 3.403 8.766
522 HG1 THR 64 HG1 THR 64 1.120 3.824 10.424
523 HG21 THR 64 3HG2 THR 64 3.720 5.832 8.935
524 HG22 THR 64 1HG2 THR 64 3.851 5.059 10.516
525 HG23 THR 64 2HG2 THR 64 2.377 5.923 10.076
526 H VAL 65 H VAL 65 1.474 6.631 6.893
527 HA VAL 65 HA VAL 65 2.919 6.163 4.501
528 HB VAL 65 HB VAL 65 2.060 8.722 5.857
529 HG11 VAL 65 1HG1 VAL 65 3.377 8.395 3.161
530 HG12 VAL 65 2HG1 VAL 65 4.073 9.199 4.568
531 HG13 VAL 65 3HG1 VAL 65 2.654 9.882 3.775
532 HG21 VAL 65 3HG2 VAL 65 0.442 8.811 4.043
533 HG22 VAL 65 1HG2 VAL 65 0.297 7.291 4.928
534 HG23 VAL 65 2HG2 VAL 65 1.108 7.326 3.360
535 H GLY 66 H GLY 66 5.021 6.173 4.110
536 HA2 GLY 66 1HA GLY 66 7.261 6.905 4.373
537 HA3 GLY 66 2HA GLY 66 6.859 7.488 5.982
538 H ASP 67 H ASP 67 5.398 4.789 6.301
539 HA ASP 67 HA ASP 67 7.606 3.574 7.674
540 HB2 ASP 67 1HB ASP 67 5.252 3.599 8.553
541 HB3 ASP 67 2HB ASP 67 4.828 2.445 7.293
542 H GLN 68 H GLN 68 9.077 2.860 6.206
543 HA GLN 68 HA GLN 68 8.676 1.249 3.986
544 HB2 GLN 68 1HB GLN 68 10.903 1.055 6.026
545 HB3 GLN 68 2HB GLN 68 10.925 0.293 4.445
546 HG2 GLN 68 1HG GLN 68 10.802 2.532 3.406
547 HG3 GLN 68 2HG GLN 68 10.895 3.247 5.016
548 HE21 GLN 68 2HE2 GLN 68 12.740 3.506 2.757
549 HE22 GLN 68 1HE2 GLN 68 14.278 2.953 3.341
550 H GLY 69 H GLY 69 7.922 -0.748 3.680
551 HA2 GLY 69 1HA GLY 69 8.188 -2.805 5.683
552 HA3 GLY 69 2HA GLY 69 6.539 -2.225 5.487
553 H THR 70 H THR 70 6.694 -4.759 4.947
554 HA THR 70 HA THR 70 7.550 -5.204 2.202
555 HB THR 70 HB THR 70 6.334 -7.211 4.106
556 HG1 THR 70 HG1 THR 70 8.593 -5.925 4.414
557 HG21 THR 70 3HG2 THR 70 8.106 -7.528 1.677
558 HG22 THR 70 1HG2 THR 70 6.387 -7.917 1.764
559 HG23 THR 70 2HG2 THR 70 7.550 -8.840 2.716
560 H LEU 71 H LEU 71 6.178 -5.807 0.540
561 HA LEU 71 HA LEU 71 3.317 -5.342 1.056
562 HB2 LEU 71 1HB LEU 71 4.450 -3.596 -0.304
563 HB3 LEU 71 2HB LEU 71 4.876 -4.825 -1.478
564 HG LEU 71 HG LEU 71 2.461 -5.221 -1.892
565 HD11 LEU 71 1HD1 LEU 71 0.843 -3.587 -1.054
566 HD12 LEU 71 2HD1 LEU 71 2.111 -2.834 -0.085
567 HD13 LEU 71 3HD1 LEU 71 1.600 -4.487 0.260
568 HD21 LEU 71 3HD2 LEU 71 2.085 -3.177 -3.162
569 HD22 LEU 71 1HD2 LEU 71 3.759 -3.709 -3.317
570 HD23 LEU 71 2HD2 LEU 71 3.358 -2.362 -2.251
571 H SER 72 H SER 72 2.137 -7.083 0.845
572 HA SER 72 HA SER 72 3.087 -9.306 -0.823
573 HB2 SER 72 1HB SER 72 0.940 -9.223 1.316
574 HB3 SER 72 2HB SER 72 1.480 -10.663 0.455
575 HG SER 72 HG SER 72 3.328 -9.061 1.845
576 H TYR 73 H TYR 73 2.346 -9.153 -2.840
577 HA TYR 73 HA TYR 73 -0.512 -8.610 -3.200
578 HB2 TYR 73 1HB TYR 73 0.016 -7.292 -5.235
579 HB3 TYR 73 2HB TYR 73 0.608 -6.544 -3.759
580 HD1 TYR 73 HD2 TYR 73 3.024 -6.475 -3.285
581 HD2 TYR 73 HD1 TYR 73 1.530 -8.067 -6.936
582 HE1 TYR 73 HE2 TYR 73 5.269 -6.299 -4.270
583 HE2 TYR 73 HE1 TYR 73 3.770 -7.895 -7.932
584 HH TYR 73 HH TYR 73 6.568 -7.329 -6.094
585 H LYS 74 H LYS 74 -1.390 -9.437 -5.184
586 HA LYS 74 HA LYS 74 0.198 -11.615 -6.362
587 HB2 LYS 74 1HB LYS 74 -2.728 -11.642 -5.595
588 HB3 LYS 74 2HB LYS 74 -1.968 -12.872 -6.598
589 HG2 LYS 74 1HG LYS 74 -0.500 -13.499 -4.797
590 HG3 LYS 74 2HG LYS 74 -1.118 -12.188 -3.794
591 HD2 LYS 74 1HD LYS 74 -3.312 -13.225 -3.748
592 HD3 LYS 74 2HD LYS 74 -2.744 -14.510 -4.819
593 HE2 LYS 74 1HE LYS 74 -1.153 -15.243 -3.143
594 HE3 LYS 74 2HE LYS 74 -1.623 -13.918 -2.081
595 HZ1 LYS 74 3HZ LYS 74 -3.448 -16.082 -2.978
596 HZ2 LYS 74 1HZ LYS 74 -3.792 -14.867 -1.843
597 HZ3 LYS 74 2HZ LYS 74 -2.639 -16.061 -1.489
598 H GLY 75 H GLY 75 0.638 -11.061 -8.371
599 HA2 GLY 75 1HA GLY 75 0.411 -10.216 -10.493
600 HA3 GLY 75 2HA GLY 75 -1.331 -10.332 -10.267
601 H THR 76 H THR 76 -2.405 -8.494 -10.298
602 HA THR 76 HA THR 76 -0.927 -6.001 -9.759
603 HB THR 76 HB THR 76 -2.817 -4.913 -11.044
604 HG1 THR 76 HG1 THR 76 -3.390 -7.654 -11.638
605 HG21 THR 76 3HG2 THR 76 -1.928 -5.534 -13.235
606 HG22 THR 76 1HG2 THR 76 -1.158 -6.954 -12.527
607 HG23 THR 76 2HG2 THR 76 -0.627 -5.339 -12.060
608 H ARG 77 H ARG 77 -2.666 -8.006 -8.037
609 HA ARG 77 HA ARG 77 -4.554 -6.016 -6.974
610 HB2 ARG 77 1HB ARG 77 -5.497 -8.150 -7.862
611 HB3 ARG 77 2HB ARG 77 -4.617 -9.013 -6.607
612 HG2 ARG 77 1HG ARG 77 -5.890 -7.927 -4.887
613 HG3 ARG 77 2HG ARG 77 -6.675 -6.881 -6.071
614 HD2 ARG 77 1HD ARG 77 -6.964 -9.869 -5.797
615 HD3 ARG 77 2HD ARG 77 -8.195 -8.644 -5.489
616 HE ARG 77 HE ARG 77 -7.055 -8.953 -8.184
617 HH11 ARG 77 1HH1 ARG 77 -9.842 -9.022 -6.041
618 HH12 ARG 77 2HH1 ARG 77 -10.982 -9.151 -7.347
619 HH21 ARG 77 1HH2 ARG 77 -8.530 -9.112 -9.869
620 HH22 ARG 77 2HH2 ARG 77 -10.233 -9.212 -9.536
621 H PHE 78 H PHE 78 -4.132 -5.139 -5.115
622 HA PHE 78 HA PHE 78 -2.022 -5.871 -3.395
623 HB2 PHE 78 1HB PHE 78 -2.792 -3.594 -3.425
624 HB3 PHE 78 2HB PHE 78 -4.432 -4.082 -3.024
625 HD1 PHE 78 HD1 PHE 78 -1.004 -3.748 -1.699
626 HD2 PHE 78 HD2 PHE 78 -5.110 -4.382 -0.782
627 HE1 PHE 78 HE1 PHE 78 -0.525 -3.396 0.688
628 HE2 PHE 78 HE2 PHE 78 -4.636 -4.032 1.605
629 HZ PHE 78 HZ PHE 78 -2.339 -3.537 2.342
630 H VAL 79 H VAL 79 -1.937 -7.457 -1.934
631 HA VAL 79 HA VAL 79 -4.446 -8.701 -1.070
632 HB VAL 79 HB VAL 79 -1.605 -9.696 -0.748
633 HG11 VAL 79 1HG1 VAL 79 -3.057 -10.523 1.022
634 HG12 VAL 79 2HG1 VAL 79 -2.650 -11.824 -0.099
635 HG13 VAL 79 3HG1 VAL 79 -4.236 -11.056 -0.173
636 HG21 VAL 79 3HG2 VAL 79 -2.195 -11.325 -2.473
637 HG22 VAL 79 1HG2 VAL 79 -2.326 -9.675 -3.080
638 HG23 VAL 79 2HG2 VAL 79 -3.781 -10.574 -2.644
639 H GLY 80 H GLY 80 -1.287 -7.892 0.409
640 HA2 GLY 80 1HA GLY 80 -2.606 -6.548 2.598
641 HA3 GLY 80 2HA GLY 80 -1.899 -8.094 3.039
642 H PHE 81 H PHE 81 -1.207 -5.483 4.010
643 HA PHE 81 HA PHE 81 1.521 -5.153 2.968
644 HB2 PHE 81 1HB PHE 81 0.112 -3.112 3.119
645 HB3 PHE 81 2HB PHE 81 -0.051 -3.374 4.852
646 HD1 PHE 81 HD2 PHE 81 2.351 -2.566 2.163
647 HD2 PHE 81 HD1 PHE 81 1.634 -2.678 6.358
648 HE1 PHE 81 HE2 PHE 81 4.397 -1.255 2.544
649 HE2 PHE 81 HE1 PHE 81 3.679 -1.364 6.745
650 HZ PHE 81 HZ PHE 81 5.063 -0.652 4.839
651 H VAL 82 H VAL 82 3.010 -6.295 4.006
652 HA VAL 82 HA VAL 82 2.471 -7.084 6.782
653 HB VAL 82 HB VAL 82 4.392 -8.343 4.812
654 HG11 VAL 82 1HG1 VAL 82 5.082 -8.616 7.142
655 HG12 VAL 82 2HG1 VAL 82 4.554 -10.150 6.449
656 HG13 VAL 82 3HG1 VAL 82 3.491 -9.263 7.541
657 HG21 VAL 82 3HG2 VAL 82 1.686 -9.288 5.754
658 HG22 VAL 82 1HG2 VAL 82 2.786 -10.185 4.709
659 HG23 VAL 82 2HG2 VAL 82 2.067 -8.677 4.144
660 H SER 83 H SER 83 3.351 -5.568 8.062
661 HA SER 83 HA SER 83 5.903 -4.382 7.518
662 HB2 SER 83 1HB SER 83 5.497 -3.647 10.033
663 HB3 SER 83 2HB SER 83 4.568 -2.922 8.719
664 HG SER 83 HG SER 83 2.992 -3.539 10.036
665 H ARG 84 H ARG 84 7.760 -5.438 7.787
666 HA ARG 84 HA ARG 84 7.833 -7.849 9.390
667 HB2 ARG 84 1HB ARG 84 9.129 -7.033 7.075
668 HB3 ARG 84 2HB ARG 84 10.391 -6.984 8.300
669 HG2 ARG 84 1HG ARG 84 9.661 -9.335 8.928
670 HG3 ARG 84 2HG ARG 84 8.729 -9.326 7.430
671 HD2 ARG 84 1HD ARG 84 10.843 -8.776 6.214
672 HD3 ARG 84 2HD ARG 84 11.713 -9.014 7.728
673 HE ARG 84 HE ARG 84 10.748 -11.032 5.963
674 HH11 ARG 84 1HH1 ARG 84 11.417 -10.354 9.342
675 HH12 ARG 84 2HH1 ARG 84 11.579 -12.033 9.765
676 HH21 ARG 84 1HH2 ARG 84 11.014 -13.214 6.505
677 HH22 ARG 84 2HH2 ARG 84 11.382 -13.662 8.149
678 H THR 85 H THR 85 8.130 -4.703 10.088
679 HA THR 85 HA THR 85 10.452 -4.597 11.701
680 HB THR 85 HB THR 85 7.961 -2.884 11.837
681 HG1 THR 85 HG1 THR 85 9.083 -1.559 10.351
682 HG21 THR 85 3HG2 THR 85 9.465 -2.650 13.782
683 HG22 THR 85 1HG2 THR 85 9.430 -1.190 12.792
684 HG23 THR 85 2HG2 THR 85 10.801 -2.294 12.688
685 HA PRO 86 HA PRO 86 8.648 -7.024 14.989
686 HB2 PRO 86 1HB PRO 86 10.889 -7.272 16.462
687 HB3 PRO 86 2HB PRO 86 10.645 -8.172 14.960
688 HG2 PRO 86 1HG PRO 86 12.270 -5.715 15.456
689 HG3 PRO 86 2HG PRO 86 12.634 -7.113 14.430
690 HD2 PRO 86 1HD PRO 86 11.664 -4.710 13.499
691 HD3 PRO 86 2HD PRO 86 11.473 -6.261 12.660
692 H ASP 87 H ASP 87 7.987 -6.710 17.107
693 HA ASP 87 HA ASP 87 7.711 -4.087 18.072
694 HB2 ASP 87 1HB ASP 87 6.249 -6.010 18.711
695 HB3 ASP 87 2HB ASP 87 7.570 -6.643 19.688
696 H ASN 88 H ASN 88 10.023 -6.625 18.790
697 HA ASN 88 HA ASN 88 11.660 -4.634 20.218
698 HB2 ASN 88 1HB ASN 88 11.717 -7.651 20.487
699 HB3 ASN 88 2HB ASN 88 12.800 -6.537 21.311
700 HD21 ASN 88 2HD2 ASN 88 9.655 -7.919 21.207
701 HD22 ASN 88 1HD2 ASN 88 9.078 -7.254 22.695
702 H GLU 89 H GLU 89 12.857 -3.811 18.551
703 HA GLU 89 HA GLU 89 14.022 -5.446 16.526
704 HB2 GLU 89 1HB GLU 89 14.702 -2.643 17.424
705 HB3 GLU 89 2HB GLU 89 15.406 -3.429 16.018
706 HG2 GLU 89 1HG GLU 89 13.101 -3.668 15.096
707 HG3 GLU 89 2HG GLU 89 12.524 -2.685 16.443
708 H LEU 90 H LEU 90 14.780 -4.816 19.763
709 HA LEU 90 HA LEU 90 17.566 -5.296 19.727
710 HB2 LEU 90 1HB LEU 90 15.533 -5.793 21.904
711 HB3 LEU 90 2HB LEU 90 17.271 -5.884 22.123
712 HG LEU 90 HG LEU 90 15.737 -3.400 21.351
713 HD11 LEU 90 1HD1 LEU 90 15.335 -4.090 23.661
714 HD12 LEU 90 2HD1 LEU 90 16.293 -2.610 23.580
715 HD13 LEU 90 3HD1 LEU 90 17.075 -4.148 23.945
716 HD21 LEU 90 3HD2 LEU 90 17.864 -2.246 21.699
717 HD22 LEU 90 1HD2 LEU 90 17.979 -3.434 20.401
718 HD23 LEU 90 2HD2 LEU 90 18.657 -3.795 21.989
719 H GLU 91 H GLU 91 14.781 -7.344 19.460
720 HA GLU 91 HA GLU 91 16.207 -9.806 19.854
721 HB2 GLU 91 1HB GLU 91 13.559 -9.245 18.498
722 HB3 GLU 91 2HB GLU 91 14.207 -10.853 18.780
723 HG2 GLU 91 1HG GLU 91 14.152 -10.407 21.207
724 HG3 GLU 91 2HG GLU 91 13.402 -8.846 20.872
725 H HIS 92 H HIS 92 18.006 -9.751 18.542
726 HA HIS 92 HA HIS 92 17.812 -9.056 15.767
727 HB2 HIS 92 1HB HIS 92 19.882 -8.634 16.974
728 HB3 HIS 92 2HB HIS 92 20.046 -10.346 17.345
729 HD1 HIS 92 HD1 HIS 92 20.200 -7.962 14.400
730 HD2 HIS 92 HD2 HIS 92 21.338 -11.826 15.447
731 HE1 HIS 92 HE1 HIS 92 21.645 -8.781 12.515
732 HE2 HIS 92 HE2 HIS 92 22.520 -11.011 13.299
733 H HIS 93 H HIS 93 16.676 -10.327 14.495
734 HA HIS 93 HA HIS 93 16.328 -13.115 14.936
735 HB2 HIS 93 1HB HIS 93 15.675 -11.384 12.539
736 HB3 HIS 93 2HB HIS 93 15.191 -13.069 12.706
737 HD1 HIS 93 HD1 HIS 93 14.508 -9.650 14.102
738 HD2 HIS 93 HD2 HIS 93 13.001 -13.518 14.350
739 HE1 HIS 93 HE1 HIS 93 12.325 -9.448 15.326
740 HE2 HIS 93 HE2 HIS 93 11.329 -11.759 15.252
741 H HIS 94 H HIS 94 17.450 -14.789 14.214
742 HA HIS 94 HA HIS 94 20.005 -14.416 13.034
743 HB2 HIS 94 1HB HIS 94 19.362 -16.267 14.610
744 HB3 HIS 94 2HB HIS 94 18.452 -17.002 13.295
745 HD1 HIS 94 HD1 HIS 94 21.968 -16.263 14.398
746 HD2 HIS 94 HD2 HIS 94 19.967 -18.401 11.447
747 HE1 HIS 94 HE1 HIS 94 23.720 -17.677 13.278
748 HE2 HIS 94 HE2 HIS 94 22.445 -19.119 11.645
749 H HIS 95 H HIS 95 16.904 -15.599 11.821
750 HA HIS 95 HA HIS 95 17.964 -15.864 9.126
751 HB2 HIS 95 1HB HIS 95 16.335 -17.520 9.849
752 HB3 HIS 95 2HB HIS 95 15.177 -16.257 10.248
753 HD1 HIS 95 HD1 HIS 95 16.441 -18.304 7.427
754 HD2 HIS 95 HD2 HIS 95 13.936 -15.035 8.004
755 HE1 HIS 95 HE1 HIS 95 15.187 -18.012 5.264
756 HE2 HIS 95 HE2 HIS 95 13.834 -15.900 5.571
757 H HIS 96 H HIS 96 18.399 -13.955 8.204
758 HA HIS 96 HA HIS 96 16.347 -11.851 8.369
759 HB2 HIS 96 1HB HIS 96 18.616 -11.202 9.132
760 HB3 HIS 96 2HB HIS 96 19.246 -11.589 7.535
761 HD1 HIS 96 HD1 HIS 96 16.863 -9.164 9.218
762 HD2 HIS 96 HD2 HIS 96 19.081 -9.553 5.713
763 HE1 HIS 96 HE1 HIS 96 16.647 -6.960 8.024
764 HE2 HIS 96 HE2 HIS 96 18.075 -7.177 5.960
765 H HIS 97 H HIS 97 15.029 -12.868 6.829
766 HA HIS 97 HA HIS 97 15.313 -11.951 4.204
767 HB2 HIS 97 1HB HIS 97 17.022 -13.807 4.120
768 HB3 HIS 97 2HB HIS 97 15.720 -14.945 4.445
769 HD1 HIS 97 HD1 HIS 97 14.789 -15.992 2.403
770 HD2 HIS 97 HD2 HIS 97 16.380 -12.221 1.638
771 HE1 HIS 97 HE1 HIS 97 14.553 -15.642 -0.079
772 HE2 HIS 97 HE2 HIS 97 15.646 -13.417 -0.538
Start of MODEL 5
1 H1 MET 1 1H MET 1 0.599 -20.769 -13.364
2 H2 MET 1 2H MET 1 2.039 -20.120 -12.750
3 H3 MET 1 3H MET 1 1.317 -19.427 -14.118
4 HA MET 1 HA MET 1 -0.593 -18.765 -12.808
5 HB2 MET 1 1HB MET 1 1.053 -19.777 -10.477
6 HB3 MET 1 2HB MET 1 -0.473 -18.915 -10.357
7 HG2 MET 1 1HG MET 1 -1.600 -20.764 -11.494
8 HG3 MET 1 2HG MET 1 -0.067 -21.629 -11.588
9 HE1 MET 1 3HE MET 1 1.156 -20.728 -8.697
10 HE2 MET 1 1HE MET 1 1.325 -22.352 -9.362
11 HE3 MET 1 2HE MET 1 0.703 -22.129 -7.727
12 H ALA 2 H ALA 2 -0.605 -16.651 -12.005
13 HA ALA 2 HA ALA 2 1.940 -15.258 -12.147
14 HB1 ALA 2 3HB ALA 2 0.606 -13.222 -11.957
15 HB2 ALA 2 1HB ALA 2 -0.840 -14.186 -11.656
16 HB3 ALA 2 2HB ALA 2 -0.030 -14.273 -13.221
17 HA PRO 3 HA PRO 3 2.233 -15.884 -7.713
18 HB2 PRO 3 1HB PRO 3 4.773 -15.013 -7.442
19 HB3 PRO 3 2HB PRO 3 4.386 -16.599 -8.120
20 HG2 PRO 3 1HG PRO 3 5.109 -14.061 -9.527
21 HG3 PRO 3 2HG PRO 3 5.640 -15.719 -9.864
22 HD2 PRO 3 1HD PRO 3 3.671 -14.455 -11.270
23 HD3 PRO 3 2HD PRO 3 3.743 -16.215 -11.054
24 H LEU 4 H LEU 4 2.549 -14.523 -5.832
25 HA LEU 4 HA LEU 4 1.829 -11.767 -6.388
26 HB2 LEU 4 1HB LEU 4 1.065 -11.582 -4.224
27 HB3 LEU 4 2HB LEU 4 0.772 -13.273 -4.555
28 HG LEU 4 HG LEU 4 3.133 -12.220 -2.989
29 HD11 LEU 4 1HD1 LEU 4 1.959 -13.087 -1.027
30 HD12 LEU 4 2HD1 LEU 4 0.568 -13.485 -2.037
31 HD13 LEU 4 3HD1 LEU 4 1.045 -11.802 -1.816
32 HD21 LEU 4 3HD2 LEU 4 3.579 -14.360 -4.060
33 HD22 LEU 4 1HD2 LEU 4 2.095 -15.025 -3.375
34 HD23 LEU 4 2HD2 LEU 4 3.421 -14.550 -2.315
35 H GLN 5 H GLN 5 3.152 -10.063 -6.203
36 HA GLN 5 HA GLN 5 5.943 -10.625 -5.711
37 HB2 GLN 5 1HB GLN 5 4.513 -8.081 -6.484
38 HB3 GLN 5 2HB GLN 5 6.247 -8.178 -6.215
39 HG2 GLN 5 1HG GLN 5 6.313 -9.947 -8.002
40 HG3 GLN 5 2HG GLN 5 4.636 -9.535 -8.355
41 HE21 GLN 5 2HE2 GLN 5 7.026 -9.298 -10.023
42 HE22 GLN 5 1HE2 GLN 5 7.102 -7.627 -10.487
43 H GLN 6 H GLN 6 6.686 -10.701 -3.737
44 HA GLN 6 HA GLN 6 5.546 -8.917 -1.712
45 HB2 GLN 6 1HB GLN 6 7.461 -11.233 -1.345
46 HB3 GLN 6 2HB GLN 6 6.681 -10.315 -0.064
47 HG2 GLN 6 1HG GLN 6 4.481 -11.101 -0.965
48 HG3 GLN 6 2HG GLN 6 5.381 -12.167 -2.044
49 HE21 GLN 6 2HE2 GLN 6 4.394 -11.548 1.208
50 HE22 GLN 6 1HE2 GLN 6 4.930 -13.053 1.886
51 H LYS 7 H LYS 7 6.507 -7.038 -1.621
52 HA LYS 7 HA LYS 7 9.431 -6.887 -1.898
53 HB2 LYS 7 1HB LYS 7 8.546 -6.278 -4.060
54 HB3 LYS 7 2HB LYS 7 7.357 -5.211 -3.330
55 HG2 LYS 7 1HG LYS 7 9.017 -3.816 -4.224
56 HG3 LYS 7 2HG LYS 7 9.297 -3.835 -2.484
57 HD2 LYS 7 1HD LYS 7 11.412 -4.018 -3.597
58 HD3 LYS 7 2HD LYS 7 11.043 -5.569 -2.844
59 HE2 LYS 7 1HE LYS 7 10.391 -6.510 -4.942
60 HE3 LYS 7 2HE LYS 7 10.485 -4.939 -5.737
61 HZ1 LYS 7 3HZ LYS 7 12.416 -6.377 -6.184
62 HZ2 LYS 7 1HZ LYS 7 12.799 -6.359 -4.531
63 HZ3 LYS 7 2HZ LYS 7 12.848 -4.919 -5.429
64 H GLN 8 H GLN 8 10.386 -5.533 -0.451
65 HA GLN 8 HA GLN 8 8.773 -4.207 1.514
66 HB2 GLN 8 1HB GLN 8 11.755 -3.997 1.029
67 HB3 GLN 8 2HB GLN 8 10.899 -3.454 2.466
68 HG2 GLN 8 1HG GLN 8 10.196 -5.818 2.848
69 HG3 GLN 8 2HG GLN 8 11.255 -6.287 1.519
70 HE21 GLN 8 2HE2 GLN 8 11.383 -7.081 4.291
71 HE22 GLN 8 1HE2 GLN 8 12.933 -6.577 4.881
72 H VAL 9 H VAL 9 7.700 -2.437 0.994
73 HA VAL 9 HA VAL 9 8.920 -0.567 -0.932
74 HB VAL 9 HB VAL 9 6.600 0.133 -1.497
75 HG11 VAL 9 1HG1 VAL 9 7.779 -1.444 -2.922
76 HG12 VAL 9 2HG1 VAL 9 6.059 -1.833 -2.863
77 HG13 VAL 9 3HG1 VAL 9 7.214 -2.789 -1.930
78 HG21 VAL 9 3HG2 VAL 9 5.821 -2.256 0.171
79 HG22 VAL 9 1HG2 VAL 9 4.733 -1.321 -0.856
80 HG23 VAL 9 2HG2 VAL 9 5.488 -0.565 0.548
81 H VAL 10 H VAL 10 8.175 1.672 -0.737
82 HA VAL 10 HA VAL 10 7.924 2.471 2.076
83 HB VAL 10 HB VAL 10 8.517 4.232 -0.308
84 HG11 VAL 10 1HG1 VAL 10 9.366 5.795 1.382
85 HG12 VAL 10 2HG1 VAL 10 8.878 4.674 2.653
86 HG13 VAL 10 3HG1 VAL 10 7.659 5.424 1.622
87 HG21 VAL 10 3HG2 VAL 10 10.269 2.562 -0.125
88 HG22 VAL 10 1HG2 VAL 10 10.470 2.937 1.588
89 HG23 VAL 10 2HG2 VAL 10 10.869 4.146 0.366
90 H VAL 11 H VAL 11 5.882 2.875 2.733
91 HA VAL 11 HA VAL 11 3.750 3.564 0.999
92 HB VAL 11 HB VAL 11 3.959 4.198 3.953
93 HG11 VAL 11 1HG1 VAL 11 1.511 4.115 3.891
94 HG12 VAL 11 2HG1 VAL 11 1.568 3.827 2.151
95 HG13 VAL 11 3HG1 VAL 11 2.144 5.358 2.811
96 HG21 VAL 11 3HG2 VAL 11 2.940 1.704 2.594
97 HG22 VAL 11 1HG2 VAL 11 2.807 2.058 4.317
98 HG23 VAL 11 2HG2 VAL 11 4.395 1.835 3.582
99 H SER 12 H SER 12 3.917 5.301 -0.246
100 HA SER 12 HA SER 12 5.652 7.465 0.577
101 HB2 SER 12 1HB SER 12 5.936 6.447 -1.629
102 HB3 SER 12 2HB SER 12 4.286 6.887 -2.059
103 HG SER 12 HG SER 12 5.496 8.470 -2.911
104 H ASN 13 H ASN 13 2.416 7.342 -0.941
105 HA ASN 13 HA ASN 13 1.606 9.651 0.623
106 HB2 ASN 13 1HB ASN 13 2.813 10.578 -1.347
107 HB3 ASN 13 2HB ASN 13 1.686 9.739 -2.404
108 HD21 ASN 13 2HD2 ASN 13 0.967 11.615 -3.344
109 HD22 ASN 13 1HD2 ASN 13 -0.037 12.762 -2.514
110 H LYS 14 H LYS 14 -0.697 10.161 0.295
111 HA LYS 14 HA LYS 14 -2.210 7.738 -0.332
112 HB2 LYS 14 1HB LYS 14 -2.651 8.721 1.845
113 HB3 LYS 14 2HB LYS 14 -2.994 10.280 1.108
114 HG2 LYS 14 1HG LYS 14 -4.940 9.298 -0.021
115 HG3 LYS 14 2HG LYS 14 -4.601 7.761 0.771
116 HD2 LYS 14 1HD LYS 14 -6.360 8.949 1.946
117 HD3 LYS 14 2HD LYS 14 -4.923 8.822 2.957
118 HE2 LYS 14 1HE LYS 14 -5.427 11.263 1.290
119 HE3 LYS 14 2HE LYS 14 -6.201 11.066 2.860
120 HZ1 LYS 14 3HZ LYS 14 -4.260 12.267 3.283
121 HZ2 LYS 14 1HZ LYS 14 -3.308 11.303 2.259
122 HZ3 LYS 14 2HZ LYS 14 -3.863 10.681 3.734
123 H ARG 15 H ARG 15 -3.705 7.642 -1.927
124 HA ARG 15 HA ARG 15 -4.049 10.053 -3.592
125 HB2 ARG 15 1HB ARG 15 -3.827 7.175 -4.499
126 HB3 ARG 15 2HB ARG 15 -4.225 8.527 -5.546
127 HG2 ARG 15 1HG ARG 15 -1.668 8.428 -3.980
128 HG3 ARG 15 2HG ARG 15 -1.827 7.684 -5.569
129 HD2 ARG 15 1HD ARG 15 -0.873 9.879 -5.812
130 HD3 ARG 15 2HD ARG 15 -2.498 9.877 -6.488
131 HE ARG 15 HE ARG 15 -2.292 10.793 -3.744
132 HH11 ARG 15 1HH1 ARG 15 -2.258 11.679 -7.132
133 HH12 ARG 15 2HH1 ARG 15 -2.758 13.322 -6.846
134 HH21 ARG 15 1HH2 ARG 15 -2.923 12.961 -3.356
135 HH22 ARG 15 2HH2 ARG 15 -3.145 14.049 -4.693
136 H GLU 16 H GLU 16 -6.048 10.714 -3.019
137 HA GLU 16 HA GLU 16 -8.166 8.766 -2.621
138 HB2 GLU 16 1HB GLU 16 -8.267 11.785 -2.485
139 HB3 GLU 16 2HB GLU 16 -9.546 10.688 -1.990
140 HG2 GLU 16 1HG GLU 16 -8.102 9.798 -0.232
141 HG3 GLU 16 2HG GLU 16 -6.823 10.906 -0.727
142 H LYS 17 H LYS 17 -8.682 7.916 -4.613
143 HA LYS 17 HA LYS 17 -9.413 9.756 -6.754
144 HB2 LYS 17 1HB LYS 17 -9.401 6.745 -6.592
145 HB3 LYS 17 2HB LYS 17 -10.012 7.628 -7.980
146 HG2 LYS 17 1HG LYS 17 -7.771 8.652 -8.245
147 HG3 LYS 17 2HG LYS 17 -7.191 7.612 -6.939
148 HD2 LYS 17 1HD LYS 17 -7.967 5.643 -8.262
149 HD3 LYS 17 2HD LYS 17 -8.339 6.743 -9.590
150 HE2 LYS 17 1HE LYS 17 -6.155 5.649 -9.861
151 HE3 LYS 17 2HE LYS 17 -6.015 7.402 -9.735
152 HZ1 LYS 17 3HZ LYS 17 -4.392 6.019 -8.404
153 HZ2 LYS 17 1HZ LYS 17 -5.698 5.630 -7.384
154 HZ3 LYS 17 2HZ LYS 17 -5.205 7.247 -7.566
155 HA PRO 18 HA PRO 18 -13.753 9.337 -5.524
156 HB2 PRO 18 1HB PRO 18 -14.222 11.847 -6.823
157 HB3 PRO 18 2HB PRO 18 -14.246 11.513 -5.091
158 HG2 PRO 18 1HG PRO 18 -12.378 13.105 -6.367
159 HG3 PRO 18 2HG PRO 18 -12.148 12.334 -4.789
160 HD2 PRO 18 1HD PRO 18 -11.159 11.482 -7.479
161 HD3 PRO 18 2HD PRO 18 -10.357 11.380 -5.895
162 H VAL 19 H VAL 19 -14.488 7.830 -6.957
163 HA VAL 19 HA VAL 19 -14.148 8.417 -9.816
164 HB VAL 19 HB VAL 19 -14.577 5.726 -8.512
165 HG11 VAL 19 1HG1 VAL 19 -13.894 6.460 -11.359
166 HG12 VAL 19 2HG1 VAL 19 -15.426 5.798 -10.790
167 HG13 VAL 19 3HG1 VAL 19 -13.960 4.821 -10.712
168 HG21 VAL 19 3HG2 VAL 19 -12.058 6.953 -9.634
169 HG22 VAL 19 1HG2 VAL 19 -12.224 5.303 -9.032
170 HG23 VAL 19 2HG2 VAL 19 -12.401 6.668 -7.928
171 H ASN 20 H ASN 20 -15.979 9.516 -10.319
172 HA ASN 20 HA ASN 20 -18.573 8.320 -9.810
173 HB2 ASN 20 1HB ASN 20 -18.178 10.837 -9.973
174 HB3 ASN 20 2HB ASN 20 -17.936 10.602 -11.700
175 HD21 ASN 20 2HD2 ASN 20 -19.931 12.217 -10.488
176 HD22 ASN 20 1HD2 ASN 20 -21.469 11.574 -10.944
177 H ASP 21 H ASP 21 -19.343 6.725 -11.043
178 HA ASP 21 HA ASP 21 -17.886 5.718 -13.254
179 HB2 ASP 21 1HB ASP 21 -19.268 4.304 -11.763
180 HB3 ASP 21 2HB ASP 21 -20.718 5.068 -12.408
181 H ARG 22 H ARG 22 -20.368 8.046 -12.939
182 HA ARG 22 HA ARG 22 -20.544 8.279 -15.873
183 HB2 ARG 22 1HB ARG 22 -22.610 9.238 -13.877
184 HB3 ARG 22 2HB ARG 22 -22.760 9.205 -15.627
185 HG2 ARG 22 1HG ARG 22 -22.672 6.727 -15.536
186 HG3 ARG 22 2HG ARG 22 -22.679 6.836 -13.773
187 HD2 ARG 22 1HD ARG 22 -24.811 8.160 -13.978
188 HD3 ARG 22 2HD ARG 22 -24.827 7.727 -15.687
189 HE ARG 22 HE ARG 22 -24.977 5.774 -13.476
190 HH11 ARG 22 1HH1 ARG 22 -25.769 6.781 -16.733
191 HH12 ARG 22 2HH1 ARG 22 -26.828 5.438 -17.028
192 HH21 ARG 22 1HH2 ARG 22 -26.356 4.015 -13.849
193 HH22 ARG 22 2HH2 ARG 22 -27.156 3.849 -15.390
194 H ARG 23 H ARG 23 -21.676 10.839 -15.924
195 HA ARG 23 HA ARG 23 -19.535 12.505 -14.869
196 HB2 ARG 23 1HB ARG 23 -22.026 13.313 -16.385
197 HB3 ARG 23 2HB ARG 23 -20.635 14.334 -16.051
198 HG2 ARG 23 1HG ARG 23 -19.246 12.835 -17.429
199 HG3 ARG 23 2HG ARG 23 -20.694 11.902 -17.821
200 HD2 ARG 23 1HD ARG 23 -21.712 13.976 -18.733
201 HD3 ARG 23 2HD ARG 23 -20.178 14.802 -18.457
202 HE ARG 23 HE ARG 23 -20.608 12.589 -20.364
203 HH11 ARG 23 1HH1 ARG 23 -18.755 15.337 -19.223
204 HH12 ARG 23 2HH1 ARG 23 -17.755 15.415 -20.645
205 HH21 ARG 23 1HH2 ARG 23 -19.310 12.700 -22.242
206 HH22 ARG 23 2HH2 ARG 23 -18.110 13.951 -22.384
207 H SER 24 H SER 24 -20.199 14.567 -13.694
208 HA SER 24 HA SER 24 -21.952 13.972 -11.516
209 HB2 SER 24 1HB SER 24 -20.730 16.612 -12.374
210 HB3 SER 24 2HB SER 24 -21.524 16.306 -10.828
211 HG SER 24 HG SER 24 -19.629 15.688 -10.186
212 H ARG 25 H ARG 25 -23.991 13.594 -12.168
213 HA ARG 25 HA ARG 25 -25.237 14.947 -14.326
214 HB2 ARG 25 1HB ARG 25 -26.478 13.229 -12.171
215 HB3 ARG 25 2HB ARG 25 -27.241 13.686 -13.691
216 HG2 ARG 25 1HG ARG 25 -25.579 12.451 -14.939
217 HG3 ARG 25 2HG ARG 25 -24.713 12.065 -13.452
218 HD2 ARG 25 1HD ARG 25 -26.004 10.156 -14.075
219 HD3 ARG 25 2HD ARG 25 -26.754 10.883 -12.655
220 HE ARG 25 HE ARG 25 -27.797 11.537 -15.323
221 HH11 ARG 25 1HH1 ARG 25 -28.220 10.093 -12.160
222 HH12 ARG 25 2HH1 ARG 25 -29.905 9.749 -12.402
223 HH21 ARG 25 1HH2 ARG 25 -30.013 11.069 -15.651
224 HH22 ARG 25 2HH2 ARG 25 -30.931 10.307 -14.382
225 H GLN 26 H GLN 26 -26.661 16.579 -14.388
226 HA GLN 26 HA GLN 26 -26.462 18.441 -12.210
227 HB2 GLN 26 1HB GLN 26 -27.911 18.636 -14.853
228 HB3 GLN 26 2HB GLN 26 -27.655 19.970 -13.734
229 HG2 GLN 26 1HG GLN 26 -25.273 19.834 -14.040
230 HG3 GLN 26 2HG GLN 26 -25.450 18.394 -15.041
231 HE21 GLN 26 2HE2 GLN 26 -24.238 20.987 -15.628
232 HE22 GLN 26 1HE2 GLN 26 -25.049 21.566 -17.048
233 H GLN 27 H GLN 27 -28.664 16.011 -12.976
234 HA GLN 27 HA GLN 27 -31.074 17.232 -12.089
235 HB2 GLN 27 1HB GLN 27 -30.377 14.294 -12.023
236 HB3 GLN 27 2HB GLN 27 -31.988 14.995 -11.996
237 HG2 GLN 27 1HG GLN 27 -31.569 15.899 -14.268
238 HG3 GLN 27 2HG GLN 27 -30.035 15.027 -14.282
239 HE21 GLN 27 2HE2 GLN 27 -32.284 14.705 -16.051
240 HE22 GLN 27 1HE2 GLN 27 -32.817 13.061 -15.885
241 H GLU 28 H GLU 28 -28.864 14.938 -10.524
242 HA GLU 28 HA GLU 28 -30.029 15.646 -7.930
243 HB2 GLU 28 1HB GLU 28 -28.282 13.297 -8.691
244 HB3 GLU 28 2HB GLU 28 -29.013 13.568 -7.114
245 HG2 GLU 28 1HG GLU 28 -31.212 13.293 -8.016
246 HG3 GLU 28 2HG GLU 28 -30.578 13.224 -9.660
247 H VAL 29 H VAL 29 -28.960 17.162 -6.879
248 HA VAL 29 HA VAL 29 -26.085 17.472 -7.397
249 HB VAL 29 HB VAL 29 -27.933 19.547 -6.208
250 HG11 VAL 29 1HG1 VAL 29 -26.142 21.111 -6.828
251 HG12 VAL 29 2HG1 VAL 29 -25.167 19.756 -7.395
252 HG13 VAL 29 3HG1 VAL 29 -25.587 19.887 -5.687
253 HG21 VAL 29 3HG2 VAL 29 -27.950 20.616 -8.412
254 HG22 VAL 29 1HG2 VAL 29 -28.693 19.018 -8.456
255 HG23 VAL 29 2HG2 VAL 29 -27.060 19.247 -9.079
256 H SER 30 H SER 30 -25.881 15.666 -5.876
257 HA SER 30 HA SER 30 -26.043 16.513 -3.075
258 HB2 SER 30 1HB SER 30 -25.409 13.771 -4.191
259 HB3 SER 30 2HB SER 30 -25.732 14.171 -2.504
260 HG SER 30 HG SER 30 -27.834 14.439 -2.943
261 HA PRO 31 HA PRO 31 -21.614 17.342 -3.843
262 HB2 PRO 31 1HB PRO 31 -21.871 18.983 -1.428
263 HB3 PRO 31 2HB PRO 31 -21.393 19.462 -3.058
264 HG2 PRO 31 1HG PRO 31 -23.753 20.198 -1.987
265 HG3 PRO 31 2HG PRO 31 -23.563 19.867 -3.720
266 HD2 PRO 31 1HD PRO 31 -24.698 18.111 -1.569
267 HD3 PRO 31 2HD PRO 31 -25.297 18.401 -3.218
268 H ALA 32 H ALA 32 -23.339 16.075 -1.150
269 HA ALA 32 HA ALA 32 -20.882 15.322 0.244
270 HB1 ALA 32 3HB ALA 32 -22.333 14.550 2.034
271 HB2 ALA 32 1HB ALA 32 -23.755 14.871 1.042
272 HB3 ALA 32 2HB ALA 32 -22.736 16.206 1.580
273 H GLY 33 H GLY 33 -22.440 14.191 -2.325
274 HA2 GLY 33 1HA GLY 33 -22.551 11.381 -1.738
275 HA3 GLY 33 2HA GLY 33 -22.600 12.118 -3.338
276 H THR 34 H THR 34 -20.469 11.210 -0.698
277 HA THR 34 HA THR 34 -18.098 11.851 -2.172
278 HB THR 34 HB THR 34 -16.984 10.739 -0.142
279 HG1 THR 34 HG1 THR 34 -18.257 10.159 1.518
280 HG21 THR 34 3HG2 THR 34 -17.415 12.704 1.270
281 HG22 THR 34 1HG2 THR 34 -18.793 13.126 0.252
282 HG23 THR 34 2HG2 THR 34 -17.159 13.159 -0.415
283 H SER 35 H SER 35 -16.631 10.536 -3.058
284 HA SER 35 HA SER 35 -17.188 7.641 -3.115
285 HB2 SER 35 1HB SER 35 -17.713 8.849 -5.287
286 HB3 SER 35 2HB SER 35 -16.003 9.261 -5.390
287 HG SER 35 HG SER 35 -16.996 6.608 -5.199
288 H MET 36 H MET 36 -15.542 9.414 -1.434
289 HA MET 36 HA MET 36 -12.828 9.331 -2.201
290 HB2 MET 36 1HB MET 36 -13.980 9.574 0.583
291 HB3 MET 36 2HB MET 36 -12.339 9.981 0.103
292 HG2 MET 36 1HG MET 36 -13.181 11.764 -1.317
293 HG3 MET 36 2HG MET 36 -14.835 11.342 -0.882
294 HE1 MET 36 3HE MET 36 -15.728 11.461 1.689
295 HE2 MET 36 1HE MET 36 -14.749 12.095 3.013
296 HE3 MET 36 2HE MET 36 -14.304 10.575 2.238
297 H ARG 37 H ARG 37 -12.134 7.317 -2.734
298 HA ARG 37 HA ARG 37 -12.045 5.361 -0.551
299 HB2 ARG 37 1HB ARG 37 -11.716 5.076 -3.532
300 HB3 ARG 37 2HB ARG 37 -11.174 3.824 -2.419
301 HG2 ARG 37 1HG ARG 37 -13.436 3.610 -1.539
302 HG3 ARG 37 2HG ARG 37 -13.987 4.880 -2.630
303 HD2 ARG 37 1HD ARG 37 -12.705 2.333 -3.586
304 HD3 ARG 37 2HD ARG 37 -14.444 2.504 -3.356
305 HE ARG 37 HE ARG 37 -12.811 3.884 -5.366
306 HH11 ARG 37 1HH1 ARG 37 -15.954 3.142 -4.003
307 HH12 ARG 37 2HH1 ARG 37 -16.821 3.648 -5.424
308 HH21 ARG 37 1HH2 ARG 37 -13.973 4.538 -7.238
309 HH22 ARG 37 2HH2 ARG 37 -15.709 4.449 -7.242
310 H TYR 38 H TYR 38 -10.252 5.180 0.553
311 HA TYR 38 HA TYR 38 -8.068 6.928 -0.073
312 HB2 TYR 38 1HB TYR 38 -8.394 4.958 2.203
313 HB3 TYR 38 2HB TYR 38 -7.174 6.225 2.101
314 HD1 TYR 38 HD1 TYR 38 -7.771 8.553 2.449
315 HD2 TYR 38 HD2 TYR 38 -10.712 5.493 2.713
316 HE1 TYR 38 HE1 TYR 38 -9.311 10.134 3.527
317 HE2 TYR 38 HE2 TYR 38 -12.263 7.068 3.794
318 HH TYR 38 HH TYR 38 -11.729 10.425 3.820
319 H GLU 39 H GLU 39 -6.736 6.274 -1.660
320 HA GLU 39 HA GLU 39 -5.731 3.522 -1.572
321 HB2 GLU 39 1HB GLU 39 -5.457 5.634 -3.717
322 HB3 GLU 39 2HB GLU 39 -4.755 4.028 -3.794
323 HG2 GLU 39 1HG GLU 39 -7.089 3.117 -3.637
324 HG3 GLU 39 2HG GLU 39 -7.659 4.774 -3.858
325 H ALA 40 H ALA 40 -3.462 3.158 -1.691
326 HA ALA 40 HA ALA 40 -1.867 5.426 -0.694
327 HB1 ALA 40 3HB ALA 40 -0.516 3.833 0.558
328 HB2 ALA 40 1HB ALA 40 -1.511 2.503 -0.040
329 HB3 ALA 40 2HB ALA 40 -2.213 3.719 1.026
330 H SER 41 H SER 41 0.096 5.801 -1.604
331 HA SER 41 HA SER 41 0.738 4.302 -4.027
332 HB2 SER 41 1HB SER 41 2.007 6.819 -2.914
333 HB3 SER 41 2HB SER 41 2.293 6.125 -4.510
334 HG SER 41 HG SER 41 -0.339 6.469 -4.114
335 H PHE 42 H PHE 42 2.141 2.709 -3.948
336 HA PHE 42 HA PHE 42 3.992 2.579 -1.678
337 HB2 PHE 42 1HB PHE 42 3.082 0.414 -3.588
338 HB3 PHE 42 2HB PHE 42 4.205 0.178 -2.251
339 HD1 PHE 42 HD2 PHE 42 3.400 0.495 0.092
340 HD2 PHE 42 HD1 PHE 42 0.754 0.431 -3.240
341 HE1 PHE 42 HE2 PHE 42 1.509 0.069 1.606
342 HE2 PHE 42 HE1 PHE 42 -1.142 0.007 -1.731
343 HZ PHE 42 HZ PHE 42 -0.766 -0.174 0.696
344 H LYS 43 H LYS 43 5.924 3.287 -2.038
345 HA LYS 43 HA LYS 43 6.940 3.473 -4.770
346 HB2 LYS 43 1HB LYS 43 6.868 5.467 -3.269
347 HB3 LYS 43 2HB LYS 43 8.004 4.663 -2.201
348 HG2 LYS 43 1HG LYS 43 9.704 4.706 -3.919
349 HG3 LYS 43 2HG LYS 43 8.558 5.415 -5.062
350 HD2 LYS 43 1HD LYS 43 8.319 7.370 -3.615
351 HD3 LYS 43 2HD LYS 43 9.456 6.663 -2.466
352 HE2 LYS 43 1HE LYS 43 11.212 6.730 -4.163
353 HE3 LYS 43 2HE LYS 43 10.073 7.423 -5.319
354 HZ1 LYS 43 3HZ LYS 43 11.491 9.103 -4.265
355 HZ2 LYS 43 1HZ LYS 43 10.860 8.687 -2.748
356 HZ3 LYS 43 2HZ LYS 43 9.849 9.362 -3.927
357 HA PRO 44 HA PRO 44 9.341 -0.198 -3.849
358 HB2 PRO 44 1HB PRO 44 10.496 0.298 -6.510
359 HB3 PRO 44 2HB PRO 44 9.592 -1.100 -5.921
360 HG2 PRO 44 1HG PRO 44 8.529 0.635 -7.679
361 HG3 PRO 44 2HG PRO 44 7.547 -0.165 -6.438
362 HD2 PRO 44 1HD PRO 44 8.651 2.619 -6.481
363 HD3 PRO 44 2HD PRO 44 7.053 2.049 -5.952
364 H LEU 45 H LEU 45 11.276 -0.413 -2.910
365 HA LEU 45 HA LEU 45 13.047 1.766 -2.613
366 HB2 LEU 45 1HB LEU 45 13.311 -1.162 -1.964
367 HB3 LEU 45 2HB LEU 45 14.572 0.001 -1.600
368 HG LEU 45 HG LEU 45 11.754 0.128 -0.515
369 HD11 LEU 45 1HD1 LEU 45 14.317 -0.765 0.800
370 HD12 LEU 45 2HD1 LEU 45 12.953 -1.797 0.370
371 HD13 LEU 45 3HD1 LEU 45 12.762 -0.555 1.607
372 HD21 LEU 45 3HD2 LEU 45 14.236 1.702 0.171
373 HD22 LEU 45 1HD2 LEU 45 12.673 1.828 0.980
374 HD23 LEU 45 2HD2 LEU 45 12.833 2.311 -0.709
375 H ASN 46 H ASN 46 12.700 -0.461 -5.127
376 HA ASN 46 HA ASN 46 15.487 -0.293 -5.944
377 HB2 ASN 46 1HB ASN 46 13.161 -1.767 -7.199
378 HB3 ASN 46 2HB ASN 46 14.821 -1.833 -7.778
379 HD21 ASN 46 2HD2 ASN 46 16.389 -2.888 -6.507
380 HD22 ASN 46 1HD2 ASN 46 15.936 -4.048 -5.299
381 H GLY 47 H GLY 47 13.513 1.946 -5.921
382 HA2 GLY 47 1HA GLY 47 13.066 3.818 -7.180
383 HA3 GLY 47 2HA GLY 47 14.379 3.300 -8.227
384 H GLY 48 H GLY 48 10.929 3.195 -7.679
385 HA2 GLY 48 1HA GLY 48 10.528 2.567 -10.492
386 HA3 GLY 48 2HA GLY 48 9.884 1.405 -9.342
387 H LEU 49 H LEU 49 8.042 2.341 -10.864
388 HA LEU 49 HA LEU 49 6.945 4.862 -10.132
389 HB2 LEU 49 1HB LEU 49 5.727 2.511 -11.578
390 HB3 LEU 49 2HB LEU 49 4.921 4.049 -11.364
391 HG LEU 49 HG LEU 49 6.870 5.096 -12.624
392 HD11 LEU 49 1HD1 LEU 49 8.456 3.255 -12.415
393 HD12 LEU 49 2HD1 LEU 49 8.128 3.623 -14.109
394 HD13 LEU 49 3HD1 LEU 49 7.383 2.216 -13.351
395 HD21 LEU 49 3HD2 LEU 49 5.100 3.121 -14.051
396 HD22 LEU 49 1HD2 LEU 49 5.938 4.482 -14.796
397 HD23 LEU 49 2HD2 LEU 49 4.670 4.773 -13.605
398 H GLU 50 H GLU 50 5.298 5.355 -8.757
399 HA GLU 50 HA GLU 50 4.894 3.630 -6.526
400 HB2 GLU 50 1HB GLU 50 3.393 6.154 -7.252
401 HB3 GLU 50 2HB GLU 50 3.457 5.393 -5.668
402 HG2 GLU 50 1HG GLU 50 5.795 5.916 -5.459
403 HG3 GLU 50 2HG GLU 50 5.833 6.554 -7.104
404 H LYS 51 H LYS 51 3.580 1.924 -6.564
405 HA LYS 51 HA LYS 51 1.320 1.827 -8.367
406 HB2 LYS 51 1HB LYS 51 2.374 -0.120 -6.316
407 HB3 LYS 51 2HB LYS 51 0.886 -0.397 -7.211
408 HG2 LYS 51 1HG LYS 51 2.242 -0.172 -9.319
409 HG3 LYS 51 2HG LYS 51 3.681 -0.197 -8.298
410 HD2 LYS 51 1HD LYS 51 3.083 -2.385 -7.449
411 HD3 LYS 51 2HD LYS 51 1.571 -2.353 -8.356
412 HE2 LYS 51 1HE LYS 51 3.130 -3.716 -9.555
413 HE3 LYS 51 2HE LYS 51 2.908 -2.216 -10.454
414 HZ1 LYS 51 3HZ LYS 51 4.981 -1.391 -9.503
415 HZ2 LYS 51 1HZ LYS 51 5.232 -2.828 -10.364
416 HZ3 LYS 51 2HZ LYS 51 5.197 -2.854 -8.673
417 H THR 52 H THR 52 -0.822 1.919 -7.811
418 HA THR 52 HA THR 52 -1.328 3.065 -5.140
419 HB THR 52 HB THR 52 -2.949 3.570 -7.640
420 HG1 THR 52 HG1 THR 52 -0.492 4.361 -7.206
421 HG21 THR 52 3HG2 THR 52 -2.746 5.025 -4.999
422 HG22 THR 52 1HG2 THR 52 -4.112 4.065 -5.561
423 HG23 THR 52 2HG2 THR 52 -3.694 5.566 -6.384
424 H PHE 53 H PHE 53 -2.378 1.686 -3.868
425 HA PHE 53 HA PHE 53 -4.360 -0.112 -5.093
426 HB2 PHE 53 1HB PHE 53 -2.565 -0.568 -2.708
427 HB3 PHE 53 2HB PHE 53 -3.933 -1.605 -3.101
428 HD1 PHE 53 HD2 PHE 53 -3.938 -2.848 -5.267
429 HD2 PHE 53 HD1 PHE 53 -0.503 -0.795 -3.822
430 HE1 PHE 53 HE2 PHE 53 -2.521 -4.152 -6.798
431 HE2 PHE 53 HE1 PHE 53 0.919 -2.093 -5.352
432 HZ PHE 53 HZ PHE 53 -0.088 -3.775 -6.841
433 H ARG 54 H ARG 54 -6.333 -0.302 -4.192
434 HA ARG 54 HA ARG 54 -7.279 1.920 -2.678
435 HB2 ARG 54 1HB ARG 54 -8.612 -0.606 -3.657
436 HB3 ARG 54 2HB ARG 54 -9.468 0.661 -2.790
437 HG2 ARG 54 1HG ARG 54 -9.162 2.207 -4.532
438 HG3 ARG 54 2HG ARG 54 -7.941 1.201 -5.314
439 HD2 ARG 54 1HD ARG 54 -9.600 -0.455 -5.867
440 HD3 ARG 54 2HD ARG 54 -10.830 0.432 -4.969
441 HE ARG 54 HE ARG 54 -11.119 1.795 -6.776
442 HH11 ARG 54 1HH1 ARG 54 -8.029 0.169 -7.161
443 HH12 ARG 54 2HH1 ARG 54 -7.819 0.708 -8.794
444 HH21 ARG 54 1HH2 ARG 54 -10.829 2.497 -8.910
445 HH22 ARG 54 2HH2 ARG 54 -9.397 2.055 -9.786
446 H LEU 55 H LEU 55 -7.996 2.024 -0.632
447 HA LEU 55 HA LEU 55 -7.848 -0.335 1.086
448 HB2 LEU 55 1HB LEU 55 -6.404 2.272 1.581
449 HB3 LEU 55 2HB LEU 55 -6.644 1.040 2.805
450 HG LEU 55 HG LEU 55 -5.088 0.632 0.249
451 HD11 LEU 55 1HD1 LEU 55 -3.105 0.710 1.668
452 HD12 LEU 55 2HD1 LEU 55 -4.111 1.094 3.064
453 HD13 LEU 55 3HD1 LEU 55 -3.987 2.237 1.726
454 HD21 LEU 55 3HD2 LEU 55 -6.060 -1.424 1.125
455 HD22 LEU 55 1HD2 LEU 55 -5.378 -1.083 2.714
456 HD23 LEU 55 2HD2 LEU 55 -4.311 -1.415 1.350
457 H GLN 56 H GLN 56 -8.821 0.101 3.224
458 HA GLN 56 HA GLN 56 -10.995 2.067 3.038
459 HB2 GLN 56 1HB GLN 56 -10.641 -0.263 4.940
460 HB3 GLN 56 2HB GLN 56 -12.041 0.799 4.869
461 HG2 GLN 56 1HG GLN 56 -12.488 0.032 2.582
462 HG3 GLN 56 2HG GLN 56 -11.107 -1.060 2.693
463 HE21 GLN 56 2HE2 GLN 56 -13.919 -1.666 2.252
464 HE22 GLN 56 1HE2 GLN 56 -14.390 -2.731 3.527
465 H ALA 57 H ALA 57 -11.581 3.118 5.171
466 HA ALA 57 HA ALA 57 -9.486 4.705 6.093
467 HB1 ALA 57 3HB ALA 57 -11.850 5.319 6.292
468 HB2 ALA 57 1HB ALA 57 -11.009 5.458 7.835
469 HB3 ALA 57 2HB ALA 57 -12.065 4.080 7.527
470 H GLN 58 H GLN 58 -10.852 1.762 7.484
471 HA GLN 58 HA GLN 58 -9.365 1.697 9.860
472 HB2 GLN 58 1HB GLN 58 -10.461 -0.569 8.185
473 HB3 GLN 58 2HB GLN 58 -9.818 -0.759 9.810
474 HG2 GLN 58 1HG GLN 58 -11.558 0.614 10.721
475 HG3 GLN 58 2HG GLN 58 -12.151 1.003 9.108
476 HE21 GLN 58 2HE2 GLN 58 -13.483 -0.260 11.393
477 HE22 GLN 58 1HE2 GLN 58 -14.072 -1.780 10.812
478 H GLN 59 H GLN 59 -8.718 0.232 6.698
479 HA GLN 59 HA GLN 59 -6.258 -0.961 7.400
480 HB2 GLN 59 1HB GLN 59 -7.392 -0.135 4.726
481 HB3 GLN 59 2HB GLN 59 -5.906 -1.054 4.912
482 HG2 GLN 59 1HG GLN 59 -7.055 -2.917 5.800
483 HG3 GLN 59 2HG GLN 59 -8.538 -1.987 6.015
484 HE21 GLN 59 2HE2 GLN 59 -8.015 -4.477 4.513
485 HE22 GLN 59 1HE2 GLN 59 -8.540 -4.151 2.900
486 H TYR 60 H TYR 60 -7.103 2.185 6.072
487 HA TYR 60 HA TYR 60 -4.484 3.010 5.410
488 HB2 TYR 60 1HB TYR 60 -6.425 4.100 4.449
489 HB3 TYR 60 2HB TYR 60 -6.975 4.611 6.038
490 HD1 TYR 60 HD2 TYR 60 -3.989 4.963 3.808
491 HD2 TYR 60 HD1 TYR 60 -6.540 6.777 6.690
492 HE1 TYR 60 HE2 TYR 60 -2.779 7.087 3.537
493 HE2 TYR 60 HE1 TYR 60 -5.339 8.906 6.424
494 HH TYR 60 HH TYR 60 -3.159 9.721 5.674
495 H HIS 61 H HIS 61 -6.306 3.162 8.428
496 HA HIS 61 HA HIS 61 -4.140 4.716 9.624
497 HB2 HIS 61 1HB HIS 61 -6.901 4.022 10.560
498 HB3 HIS 61 2HB HIS 61 -5.680 4.584 11.700
499 HD1 HIS 61 HD1 HIS 61 -4.586 6.993 11.074
500 HD2 HIS 61 HD2 HIS 61 -8.170 6.018 9.197
501 HE1 HIS 61 HE1 HIS 61 -5.504 9.160 10.191
502 HE2 HIS 61 HE2 HIS 61 -7.554 8.511 8.879
503 H ALA 62 H ALA 62 -4.995 1.505 9.199
504 HA ALA 62 HA ALA 62 -3.382 0.564 11.428
505 HB1 ALA 62 3HB ALA 62 -5.244 -0.825 10.657
506 HB2 ALA 62 1HB ALA 62 -3.708 -1.663 10.438
507 HB3 ALA 62 2HB ALA 62 -4.517 -0.926 9.054
508 H LEU 63 H LEU 63 -2.968 1.955 8.489
509 HA LEU 63 HA LEU 63 -0.287 0.841 8.052
510 HB2 LEU 63 1HB LEU 63 -1.857 0.673 6.153
511 HB3 LEU 63 2HB LEU 63 -2.105 2.407 6.205
512 HG LEU 63 HG LEU 63 0.308 2.713 5.642
513 HD11 LEU 63 1HD1 LEU 63 1.542 0.804 4.768
514 HD12 LEU 63 2HD1 LEU 63 0.209 -0.265 5.208
515 HD13 LEU 63 3HD1 LEU 63 1.122 0.570 6.464
516 HD21 LEU 63 3HD2 LEU 63 0.057 2.105 3.286
517 HD22 LEU 63 1HD2 LEU 63 -1.415 2.836 3.924
518 HD23 LEU 63 2HD2 LEU 63 -1.326 1.090 3.695
519 H THR 64 H THR 64 1.451 2.327 7.829
520 HA THR 64 HA THR 64 0.813 5.084 8.638
521 HB THR 64 HB THR 64 3.340 3.593 9.362
522 HG1 THR 64 HG1 THR 64 1.857 2.625 10.622
523 HG21 THR 64 3HG2 THR 64 3.674 5.440 10.935
524 HG22 THR 64 1HG2 THR 64 2.183 6.196 10.373
525 HG23 THR 64 2HG2 THR 64 3.558 6.038 9.280
526 H VAL 65 H VAL 65 1.429 6.590 7.200
527 HA VAL 65 HA VAL 65 2.899 5.946 4.867
528 HB VAL 65 HB VAL 65 2.155 8.611 6.078
529 HG11 VAL 65 1HG1 VAL 65 2.861 9.647 3.973
530 HG12 VAL 65 2HG1 VAL 65 3.490 8.095 3.419
531 HG13 VAL 65 3HG1 VAL 65 4.224 8.900 4.807
532 HG21 VAL 65 3HG2 VAL 65 0.589 8.700 4.196
533 HG22 VAL 65 1HG2 VAL 65 0.316 7.266 5.189
534 HG23 VAL 65 2HG2 VAL 65 1.162 7.124 3.647
535 H GLY 66 H GLY 66 4.978 5.600 4.686
536 HA2 GLY 66 1HA GLY 66 7.271 6.304 5.022
537 HA3 GLY 66 2HA GLY 66 6.811 6.841 6.634
538 H ASP 67 H ASP 67 5.117 4.228 6.654
539 HA ASP 67 HA ASP 67 7.116 2.665 7.996
540 HB2 ASP 67 1HB ASP 67 4.801 2.690 8.811
541 HB3 ASP 67 2HB ASP 67 4.254 1.958 7.307
542 H GLN 68 H GLN 68 8.626 2.115 6.547
543 HA GLN 68 HA GLN 68 8.026 0.823 4.061
544 HB2 GLN 68 1HB GLN 68 10.636 1.018 5.576
545 HB3 GLN 68 2HB GLN 68 10.452 0.539 3.894
546 HG2 GLN 68 1HG GLN 68 9.773 2.713 3.253
547 HG3 GLN 68 2HG GLN 68 9.580 3.221 4.930
548 HE21 GLN 68 2HE2 GLN 68 11.197 4.376 2.793
549 HE22 GLN 68 1HE2 GLN 68 12.821 4.404 3.392
550 H GLY 69 H GLY 69 7.478 -1.235 3.835
551 HA2 GLY 69 1HA GLY 69 8.682 -3.308 5.434
552 HA3 GLY 69 2HA GLY 69 6.990 -3.021 5.817
553 H THR 70 H THR 70 6.955 -5.343 5.103
554 HA THR 70 HA THR 70 7.392 -5.915 2.331
555 HB THR 70 HB THR 70 5.942 -7.607 4.373
556 HG1 THR 70 HG1 THR 70 8.062 -7.075 5.082
557 HG21 THR 70 3HG2 THR 70 7.379 -8.340 1.817
558 HG22 THR 70 1HG2 THR 70 5.630 -8.328 2.051
559 HG23 THR 70 2HG2 THR 70 6.632 -9.474 2.943
560 H LEU 71 H LEU 71 6.015 -5.712 0.712
561 HA LEU 71 HA LEU 71 3.134 -5.548 1.310
562 HB2 LEU 71 1HB LEU 71 3.941 -3.471 0.350
563 HB3 LEU 71 2HB LEU 71 4.732 -4.338 -0.953
564 HG LEU 71 HG LEU 71 2.472 -5.088 -1.735
565 HD11 LEU 71 1HD1 LEU 71 0.511 -3.899 -0.926
566 HD12 LEU 71 2HD1 LEU 71 1.497 -3.066 0.274
567 HD13 LEU 71 3HD1 LEU 71 1.276 -4.813 0.374
568 HD21 LEU 71 3HD2 LEU 71 1.884 -2.938 -2.746
569 HD22 LEU 71 1HD2 LEU 71 3.624 -3.228 -2.795
570 HD23 LEU 71 2HD2 LEU 71 2.948 -2.114 -1.605
571 H SER 72 H SER 72 1.924 -7.135 0.523
572 HA SER 72 HA SER 72 3.109 -8.872 -1.536
573 HB2 SER 72 1HB SER 72 1.187 -9.657 0.670
574 HB3 SER 72 2HB SER 72 1.920 -10.742 -0.512
575 HG SER 72 HG SER 72 3.626 -9.152 1.016
576 H TYR 73 H TYR 73 2.102 -8.721 -3.415
577 HA TYR 73 HA TYR 73 -0.807 -8.604 -3.444
578 HB2 TYR 73 1HB TYR 73 -0.904 -6.760 -5.032
579 HB3 TYR 73 2HB TYR 73 -0.120 -6.247 -3.546
580 HD1 TYR 73 HD2 TYR 73 2.461 -6.151 -3.554
581 HD2 TYR 73 HD1 TYR 73 0.112 -6.426 -7.091
582 HE1 TYR 73 HE2 TYR 73 4.346 -5.275 -4.870
583 HE2 TYR 73 HE1 TYR 73 1.987 -5.550 -8.412
584 HH TYR 73 HH TYR 73 5.064 -5.487 -7.435
585 H LYS 74 H LYS 74 -1.713 -9.669 -5.106
586 HA LYS 74 HA LYS 74 0.173 -11.221 -6.730
587 HB2 LYS 74 1HB LYS 74 -1.453 -12.318 -5.078
588 HB3 LYS 74 2HB LYS 74 -2.718 -11.886 -6.218
589 HG2 LYS 74 1HG LYS 74 -1.781 -13.285 -7.903
590 HG3 LYS 74 2HG LYS 74 -0.329 -13.566 -6.936
591 HD2 LYS 74 1HD LYS 74 -1.773 -14.624 -5.201
592 HD3 LYS 74 2HD LYS 74 -3.138 -14.469 -6.306
593 HE2 LYS 74 1HE LYS 74 -0.598 -15.979 -6.898
594 HE3 LYS 74 2HE LYS 74 -2.098 -16.715 -6.333
595 HZ1 LYS 74 3HZ LYS 74 -1.977 -16.930 -8.691
596 HZ2 LYS 74 1HZ LYS 74 -1.674 -15.278 -8.897
597 HZ3 LYS 74 2HZ LYS 74 -3.186 -15.801 -8.339
598 H GLY 75 H GLY 75 0.425 -10.387 -8.688
599 HA2 GLY 75 1HA GLY 75 -0.127 -9.582 -10.783
600 HA3 GLY 75 2HA GLY 75 -1.822 -9.865 -10.396
601 H THR 76 H THR 76 -3.032 -8.109 -10.267
602 HA THR 76 HA THR 76 -1.757 -5.608 -9.360
603 HB THR 76 HB THR 76 -4.289 -5.690 -10.993
604 HG1 THR 76 HG1 THR 76 -2.450 -5.099 -12.682
605 HG21 THR 76 3HG2 THR 76 -3.684 -3.577 -9.904
606 HG22 THR 76 1HG2 THR 76 -3.555 -3.444 -11.657
607 HG23 THR 76 2HG2 THR 76 -2.100 -3.627 -10.677
608 H ARG 77 H ARG 77 -3.230 -7.953 -8.000
609 HA ARG 77 HA ARG 77 -5.397 -6.418 -6.740
610 HB2 ARG 77 1HB ARG 77 -6.007 -8.601 -7.758
611 HB3 ARG 77 2HB ARG 77 -4.901 -9.399 -6.648
612 HG2 ARG 77 1HG ARG 77 -6.236 -8.560 -4.755
613 HG3 ARG 77 2HG ARG 77 -7.370 -7.842 -5.901
614 HD2 ARG 77 1HD ARG 77 -7.776 -10.088 -6.846
615 HD3 ARG 77 2HD ARG 77 -6.713 -10.771 -5.617
616 HE ARG 77 HE ARG 77 -9.017 -9.212 -4.719
617 HH11 ARG 77 1HH1 ARG 77 -7.451 -12.318 -5.100
618 HH12 ARG 77 2HH1 ARG 77 -8.586 -13.163 -4.091
619 HH21 ARG 77 1HH2 ARG 77 -10.501 -10.314 -3.367
620 HH22 ARG 77 2HH2 ARG 77 -10.309 -12.020 -3.087
621 H PHE 78 H PHE 78 -5.146 -5.696 -4.751
622 HA PHE 78 HA PHE 78 -2.744 -6.075 -3.287
623 HB2 PHE 78 1HB PHE 78 -4.032 -3.994 -3.171
624 HB3 PHE 78 2HB PHE 78 -5.393 -4.857 -2.465
625 HD1 PHE 78 HD1 PHE 78 -1.939 -3.714 -1.866
626 HD2 PHE 78 HD2 PHE 78 -5.488 -5.314 -0.148
627 HE1 PHE 78 HE1 PHE 78 -1.059 -3.247 0.384
628 HE2 PHE 78 HE2 PHE 78 -4.613 -4.851 2.103
629 HZ PHE 78 HZ PHE 78 -2.395 -3.816 2.371
630 H VAL 79 H VAL 79 -2.221 -7.702 -1.962
631 HA VAL 79 HA VAL 79 -4.336 -9.491 -1.020
632 HB VAL 79 HB VAL 79 -1.330 -9.826 -0.918
633 HG11 VAL 79 1HG1 VAL 79 -2.411 -11.012 0.909
634 HG12 VAL 79 2HG1 VAL 79 -1.804 -12.150 -0.294
635 HG13 VAL 79 3HG1 VAL 79 -3.526 -11.774 -0.225
636 HG21 VAL 79 3HG2 VAL 79 -3.391 -11.107 -2.710
637 HG22 VAL 79 1HG2 VAL 79 -1.677 -11.522 -2.659
638 HG23 VAL 79 2HG2 VAL 79 -2.182 -9.918 -3.193
639 H GLY 80 H GLY 80 -1.384 -7.984 0.336
640 HA2 GLY 80 1HA GLY 80 -2.739 -6.842 2.533
641 HA3 GLY 80 2HA GLY 80 -2.043 -8.381 3.018
642 H PHE 81 H PHE 81 -1.338 -5.882 4.102
643 HA PHE 81 HA PHE 81 1.426 -5.581 3.122
644 HB2 PHE 81 1HB PHE 81 -0.035 -3.519 3.135
645 HB3 PHE 81 2HB PHE 81 -0.106 -3.657 4.888
646 HD1 PHE 81 HD1 PHE 81 1.840 -3.156 6.256
647 HD2 PHE 81 HD2 PHE 81 1.985 -2.810 2.018
648 HE1 PHE 81 HE1 PHE 81 3.925 -1.861 6.435
649 HE2 PHE 81 HE2 PHE 81 4.068 -1.516 2.190
650 HZ PHE 81 HZ PHE 81 5.042 -1.041 4.401
651 H VAL 82 H VAL 82 3.070 -6.100 4.452
652 HA VAL 82 HA VAL 82 2.350 -6.977 7.173
653 HB VAL 82 HB VAL 82 4.503 -8.168 5.412
654 HG11 VAL 82 1HG1 VAL 82 5.011 -8.330 7.785
655 HG12 VAL 82 2HG1 VAL 82 4.609 -9.917 7.127
656 HG13 VAL 82 3HG1 VAL 82 3.424 -9.036 8.092
657 HG21 VAL 82 3HG2 VAL 82 3.037 -10.133 5.257
658 HG22 VAL 82 1HG2 VAL 82 2.305 -8.705 4.527
659 HG23 VAL 82 2HG2 VAL 82 1.777 -9.249 6.118
660 H SER 83 H SER 83 2.974 -5.193 8.288
661 HA SER 83 HA SER 83 5.422 -3.815 7.842
662 HB2 SER 83 1HB SER 83 3.624 -3.818 10.280
663 HB3 SER 83 2HB SER 83 4.876 -2.631 9.920
664 HG SER 83 HG SER 83 3.600 -1.675 8.543
665 H ARG 84 H ARG 84 6.979 -3.522 9.755
666 HA ARG 84 HA ARG 84 8.331 -5.876 10.355
667 HB2 ARG 84 1HB ARG 84 9.352 -3.658 10.522
668 HB3 ARG 84 2HB ARG 84 8.306 -3.265 11.879
669 HG2 ARG 84 1HG ARG 84 9.368 -4.990 13.220
670 HG3 ARG 84 2HG ARG 84 10.398 -5.428 11.854
671 HD2 ARG 84 1HD ARG 84 11.360 -3.181 11.863
672 HD3 ARG 84 2HD ARG 84 10.332 -2.747 13.228
673 HE ARG 84 HE ARG 84 11.688 -4.935 14.108
674 HH11 ARG 84 1HH1 ARG 84 12.661 -1.883 12.685
675 HH12 ARG 84 2HH1 ARG 84 14.148 -1.794 13.579
676 HH21 ARG 84 1HH2 ARG 84 13.667 -4.822 15.278
677 HH22 ARG 84 2HH2 ARG 84 14.727 -3.468 15.026
678 H THR 85 H THR 85 6.121 -4.007 12.384
679 HA THR 85 HA THR 85 5.194 -6.499 13.581
680 HB THR 85 HB THR 85 6.016 -4.128 15.280
681 HG1 THR 85 HG1 THR 85 7.406 -6.254 14.371
682 HG21 THR 85 3HG2 THR 85 5.464 -5.587 17.174
683 HG22 THR 85 1HG2 THR 85 4.916 -6.836 16.056
684 HG23 THR 85 2HG2 THR 85 4.051 -5.303 16.158
685 HA PRO 86 HA PRO 86 1.682 -3.947 12.368
686 HB2 PRO 86 1HB PRO 86 -0.029 -5.969 11.939
687 HB3 PRO 86 2HB PRO 86 1.272 -5.593 10.802
688 HG2 PRO 86 1HG PRO 86 1.146 -7.722 12.900
689 HG3 PRO 86 2HG PRO 86 1.752 -7.823 11.237
690 HD2 PRO 86 1HD PRO 86 3.362 -7.516 13.433
691 HD3 PRO 86 2HD PRO 86 3.797 -6.966 11.802
692 H ASP 87 H ASP 87 -0.801 -4.309 12.983
693 HA ASP 87 HA ASP 87 -0.916 -4.045 15.850
694 HB2 ASP 87 1HB ASP 87 -2.239 -2.522 14.543
695 HB3 ASP 87 2HB ASP 87 -3.021 -3.847 13.688
696 H ASN 88 H ASN 88 -2.510 -5.192 17.161
697 HA ASN 88 HA ASN 88 -2.282 -8.047 16.656
698 HB2 ASN 88 1HB ASN 88 -3.154 -6.443 19.059
699 HB3 ASN 88 2HB ASN 88 -3.274 -8.198 19.002
700 HD21 ASN 88 2HD2 ASN 88 -1.121 -5.472 19.148
701 HD22 ASN 88 1HD2 ASN 88 0.304 -6.364 19.557
702 H GLU 89 H GLU 89 -4.494 -5.669 16.004
703 HA GLU 89 HA GLU 89 -6.515 -5.722 15.004
704 HB2 GLU 89 1HB GLU 89 -6.344 -8.713 15.348
705 HB3 GLU 89 2HB GLU 89 -7.613 -7.879 14.460
706 HG2 GLU 89 1HG GLU 89 -5.985 -7.023 12.883
707 HG3 GLU 89 2HG GLU 89 -4.678 -7.773 13.796
708 H LEU 90 H LEU 90 -6.422 -8.003 17.707
709 HA LEU 90 HA LEU 90 -9.047 -7.187 18.605
710 HB2 LEU 90 1HB LEU 90 -6.973 -9.030 19.798
711 HB3 LEU 90 2HB LEU 90 -8.496 -8.670 20.582
712 HG LEU 90 HG LEU 90 -8.749 -10.776 19.539
713 HD11 LEU 90 1HD1 LEU 90 -10.670 -9.318 19.306
714 HD12 LEU 90 2HD1 LEU 90 -10.526 -10.389 17.912
715 HD13 LEU 90 3HD1 LEU 90 -10.037 -8.700 17.780
716 HD21 LEU 90 3HD2 LEU 90 -7.722 -9.535 16.991
717 HD22 LEU 90 1HD2 LEU 90 -8.324 -11.184 17.168
718 HD23 LEU 90 2HD2 LEU 90 -6.858 -10.684 18.013
719 H GLU 91 H GLU 91 -9.301 -5.308 19.601
720 HA GLU 91 HA GLU 91 -7.214 -3.740 20.626
721 HB2 GLU 91 1HB GLU 91 -10.186 -3.614 21.126
722 HB3 GLU 91 2HB GLU 91 -9.051 -2.390 21.673
723 HG2 GLU 91 1HG GLU 91 -8.479 -1.830 19.414
724 HG3 GLU 91 2HG GLU 91 -9.457 -3.165 18.796
725 H HIS 92 H HIS 92 -5.975 -4.516 22.233
726 HA HIS 92 HA HIS 92 -7.152 -5.647 24.620
727 HB2 HIS 92 1HB HIS 92 -4.300 -4.823 23.999
728 HB3 HIS 92 2HB HIS 92 -4.810 -5.610 25.490
729 HD1 HIS 92 HD1 HIS 92 -2.839 -6.684 23.095
730 HD2 HIS 92 HD2 HIS 92 -6.693 -7.940 24.053
731 HE1 HIS 92 HE1 HIS 92 -3.056 -9.011 22.154
732 HE2 HIS 92 HE2 HIS 92 -5.451 -9.679 22.596
733 H HIS 93 H HIS 93 -8.269 -4.301 25.863
734 HA HIS 93 HA HIS 93 -8.135 -1.505 25.525
735 HB2 HIS 93 1HB HIS 93 -10.124 -2.969 26.254
736 HB3 HIS 93 2HB HIS 93 -9.461 -2.821 27.878
737 HD1 HIS 93 HD1 HIS 93 -9.919 -0.679 29.126
738 HD2 HIS 93 HD2 HIS 93 -10.979 -0.475 25.108
739 HE1 HIS 93 HE1 HIS 93 -11.178 1.485 28.861
740 HE2 HIS 93 HE2 HIS 93 -11.636 1.676 26.387
741 H HIS 94 H HIS 94 -6.250 -3.540 27.483
742 HA HIS 94 HA HIS 94 -5.650 -1.716 29.578
743 HB2 HIS 94 1HB HIS 94 -4.214 -4.103 28.445
744 HB3 HIS 94 2HB HIS 94 -3.455 -3.094 29.671
745 HD1 HIS 94 HD1 HIS 94 -3.901 -3.763 32.009
746 HD2 HIS 94 HD2 HIS 94 -6.850 -5.137 29.415
747 HE1 HIS 94 HE1 HIS 94 -5.425 -5.197 33.406
748 HE2 HIS 94 HE2 HIS 94 -7.307 -5.848 31.858
749 H HIS 95 H HIS 95 -4.769 -1.892 26.268
750 HA HIS 95 HA HIS 95 -2.978 0.418 26.653
751 HB2 HIS 95 1HB HIS 95 -2.797 -1.809 24.621
752 HB3 HIS 95 2HB HIS 95 -1.963 -0.273 24.416
753 HD1 HIS 95 HD1 HIS 95 0.151 0.116 25.771
754 HD2 HIS 95 HD2 HIS 95 -1.788 -3.442 26.712
755 HE1 HIS 95 HE1 HIS 95 1.750 -1.167 27.224
756 HE2 HIS 95 HE2 HIS 95 0.641 -3.398 27.603
757 H HIS 96 H HIS 96 -3.616 2.247 25.658
758 HA HIS 96 HA HIS 96 -6.087 2.018 24.091
759 HB2 HIS 96 1HB HIS 96 -6.103 3.397 26.181
760 HB3 HIS 96 2HB HIS 96 -4.955 4.489 25.411
761 HD1 HIS 96 HD1 HIS 96 -8.542 3.408 25.288
762 HD2 HIS 96 HD2 HIS 96 -6.051 6.224 23.511
763 HE1 HIS 96 HE1 HIS 96 -10.068 4.972 24.049
764 HE2 HIS 96 HE2 HIS 96 -8.557 6.766 23.133
765 H HIS 97 H HIS 97 -6.069 2.372 22.006
766 HA HIS 97 HA HIS 97 -4.079 4.232 20.897
767 HB2 HIS 97 1HB HIS 97 -4.830 1.500 19.951
768 HB3 HIS 97 2HB HIS 97 -4.458 2.728 18.746
769 HD1 HIS 97 HD1 HIS 97 -2.053 3.124 18.245
770 HD2 HIS 97 HD2 HIS 97 -2.607 1.001 21.787
771 HE1 HIS 97 HE1 HIS 97 0.250 2.435 18.999
772 HE2 HIS 97 HE2 HIS 97 -0.095 1.210 21.175
Start of MODEL 6
1 H1 MET 1 1H MET 1 10.192 -19.592 -1.318
2 H2 MET 1 2H MET 1 10.302 -17.922 -1.058
3 H3 MET 1 3H MET 1 11.543 -18.734 -1.880
4 HA MET 1 HA MET 1 10.068 -17.444 -3.349
5 HB2 MET 1 1HB MET 1 11.335 -19.436 -4.150
6 HB3 MET 1 2HB MET 1 9.945 -20.442 -3.762
7 HG2 MET 1 1HG MET 1 8.601 -19.105 -5.362
8 HG3 MET 1 2HG MET 1 10.071 -18.242 -5.811
9 HE1 MET 1 3HE MET 1 9.524 -22.069 -4.965
10 HE2 MET 1 1HE MET 1 9.309 -22.728 -6.588
11 HE3 MET 1 2HE MET 1 8.111 -21.620 -5.920
12 H ALA 2 H ALA 2 8.066 -16.709 -3.609
13 HA ALA 2 HA ALA 2 5.820 -18.451 -2.857
14 HB1 ALA 2 3HB ALA 2 4.718 -16.604 -1.700
15 HB2 ALA 2 1HB ALA 2 6.119 -15.574 -1.995
16 HB3 ALA 2 2HB ALA 2 6.268 -16.986 -0.949
17 HA PRO 3 HA PRO 3 4.152 -17.066 -6.783
18 HB2 PRO 3 1HB PRO 3 1.590 -17.741 -5.437
19 HB3 PRO 3 2HB PRO 3 2.226 -18.298 -6.989
20 HG2 PRO 3 1HG PRO 3 2.200 -19.918 -4.879
21 HG3 PRO 3 2HG PRO 3 3.568 -19.918 -6.008
22 HD2 PRO 3 1HD PRO 3 3.350 -18.684 -3.290
23 HD3 PRO 3 2HD PRO 3 4.721 -19.531 -4.038
24 H LEU 4 H LEU 4 2.754 -16.173 -3.668
25 HA LEU 4 HA LEU 4 1.545 -13.755 -4.527
26 HB2 LEU 4 1HB LEU 4 1.071 -14.994 -2.378
27 HB3 LEU 4 2HB LEU 4 2.614 -14.417 -1.782
28 HG LEU 4 HG LEU 4 1.823 -12.096 -1.980
29 HD11 LEU 4 1HD1 LEU 4 0.246 -12.408 -3.811
30 HD12 LEU 4 2HD1 LEU 4 -0.539 -11.659 -2.421
31 HD13 LEU 4 3HD1 LEU 4 -0.795 -13.370 -2.762
32 HD21 LEU 4 3HD2 LEU 4 1.565 -13.281 0.131
33 HD22 LEU 4 1HD2 LEU 4 0.006 -13.913 -0.398
34 HD23 LEU 4 2HD2 LEU 4 0.213 -12.181 -0.135
35 H GLN 5 H GLN 5 2.514 -11.891 -5.064
36 HA GLN 5 HA GLN 5 5.392 -11.812 -5.015
37 HB2 GLN 5 1HB GLN 5 3.362 -9.841 -6.081
38 HB3 GLN 5 2HB GLN 5 5.103 -9.720 -6.314
39 HG2 GLN 5 1HG GLN 5 5.123 -11.775 -7.570
40 HG3 GLN 5 2HG GLN 5 3.410 -12.026 -7.251
41 HE21 GLN 5 2HE2 GLN 5 4.854 -11.817 -9.772
42 HE22 GLN 5 1HE2 GLN 5 4.102 -10.518 -10.645
43 H GLN 6 H GLN 6 6.419 -11.193 -3.286
44 HA GLN 6 HA GLN 6 5.267 -9.073 -1.609
45 HB2 GLN 6 1HB GLN 6 7.159 -11.315 -0.880
46 HB3 GLN 6 2HB GLN 6 6.698 -10.016 0.210
47 HG2 GLN 6 1HG GLN 6 4.359 -10.723 0.054
48 HG3 GLN 6 2HG GLN 6 4.838 -12.038 -1.017
49 HE21 GLN 6 2HE2 GLN 6 3.543 -12.050 1.619
50 HE22 GLN 6 1HE2 GLN 6 4.534 -13.057 2.615
51 H LYS 7 H LYS 7 6.169 -7.207 -2.046
52 HA LYS 7 HA LYS 7 9.091 -7.096 -2.416
53 HB2 LYS 7 1HB LYS 7 7.540 -6.736 -4.499
54 HB3 LYS 7 2HB LYS 7 7.223 -5.168 -3.776
55 HG2 LYS 7 1HG LYS 7 9.997 -6.143 -4.396
56 HG3 LYS 7 2HG LYS 7 9.011 -5.247 -5.549
57 HD2 LYS 7 1HD LYS 7 8.882 -3.372 -4.005
58 HD3 LYS 7 2HD LYS 7 9.812 -4.276 -2.808
59 HE2 LYS 7 1HE LYS 7 10.767 -3.376 -5.523
60 HE3 LYS 7 2HE LYS 7 11.239 -2.693 -3.968
61 HZ1 LYS 7 3HZ LYS 7 11.954 -5.311 -5.130
62 HZ2 LYS 7 1HZ LYS 7 12.031 -5.059 -3.450
63 HZ3 LYS 7 2HZ LYS 7 12.967 -4.112 -4.497
64 H GLN 8 H GLN 8 10.115 -5.597 -1.154
65 HA GLN 8 HA GLN 8 8.527 -4.266 0.847
66 HB2 GLN 8 1HB GLN 8 11.506 -4.315 0.360
67 HB3 GLN 8 2HB GLN 8 10.745 -3.474 1.703
68 HG2 GLN 8 1HG GLN 8 9.778 -5.642 2.433
69 HG3 GLN 8 2HG GLN 8 10.712 -6.433 1.164
70 HE21 GLN 8 2HE2 GLN 8 10.818 -6.745 4.066
71 HE22 GLN 8 1HE2 GLN 8 12.453 -6.415 4.516
72 H VAL 9 H VAL 9 7.789 -2.283 0.780
73 HA VAL 9 HA VAL 9 8.979 -0.361 -1.097
74 HB VAL 9 HB VAL 9 6.654 0.418 -1.666
75 HG11 VAL 9 1HG1 VAL 9 6.247 -1.338 -3.333
76 HG12 VAL 9 2HG1 VAL 9 7.382 -2.393 -2.490
77 HG13 VAL 9 3HG1 VAL 9 7.954 -0.904 -3.244
78 HG21 VAL 9 3HG2 VAL 9 4.808 -1.165 -1.353
79 HG22 VAL 9 1HG2 VAL 9 5.464 -0.611 0.188
80 HG23 VAL 9 2HG2 VAL 9 5.874 -2.216 -0.419
81 H VAL 10 H VAL 10 8.043 1.861 -0.743
82 HA VAL 10 HA VAL 10 7.794 2.390 2.141
83 HB VAL 10 HB VAL 10 8.198 4.506 0.045
84 HG11 VAL 10 1HG1 VAL 10 8.993 4.319 2.945
85 HG12 VAL 10 2HG1 VAL 10 7.641 5.240 2.285
86 HG13 VAL 10 3HG1 VAL 10 9.298 5.693 1.882
87 HG21 VAL 10 3HG2 VAL 10 10.350 2.781 1.248
88 HG22 VAL 10 1HG2 VAL 10 10.653 4.319 0.444
89 HG23 VAL 10 2HG2 VAL 10 9.954 2.974 -0.456
90 H VAL 11 H VAL 11 5.930 3.294 2.942
91 HA VAL 11 HA VAL 11 3.744 3.791 1.090
92 HB VAL 11 HB VAL 11 3.768 4.092 4.101
93 HG11 VAL 11 1HG1 VAL 11 1.485 3.887 2.138
94 HG12 VAL 11 2HG1 VAL 11 1.972 5.333 3.021
95 HG13 VAL 11 3HG1 VAL 11 1.327 3.942 3.894
96 HG21 VAL 11 3HG2 VAL 11 2.906 1.755 2.402
97 HG22 VAL 11 1HG2 VAL 11 2.672 1.895 4.145
98 HG23 VAL 11 2HG2 VAL 11 4.302 1.807 3.478
99 H SER 12 H SER 12 4.013 5.664 0.019
100 HA SER 12 HA SER 12 5.395 7.882 1.162
101 HB2 SER 12 1HB SER 12 3.789 7.733 -1.398
102 HB3 SER 12 2HB SER 12 4.951 8.989 -0.973
103 HG SER 12 HG SER 12 5.774 7.290 -2.373
104 H ASN 13 H ASN 13 2.049 7.599 -0.055
105 HA ASN 13 HA ASN 13 0.972 9.123 2.100
106 HB2 ASN 13 1HB ASN 13 0.244 11.074 0.747
107 HB3 ASN 13 2HB ASN 13 1.992 10.990 0.918
108 HD21 ASN 13 2HD2 ASN 13 -0.696 10.720 -1.266
109 HD22 ASN 13 1HD2 ASN 13 0.237 10.709 -2.723
110 H LYS 14 H LYS 14 -1.371 9.778 1.531
111 HA LYS 14 HA LYS 14 -2.592 7.522 0.141
112 HB2 LYS 14 1HB LYS 14 -4.649 8.135 1.199
113 HB3 LYS 14 2HB LYS 14 -3.390 8.210 2.422
114 HG2 LYS 14 1HG LYS 14 -3.363 10.583 2.375
115 HG3 LYS 14 2HG LYS 14 -4.376 10.629 0.931
116 HD2 LYS 14 1HD LYS 14 -6.203 9.578 2.234
117 HD3 LYS 14 2HD LYS 14 -5.188 9.670 3.673
118 HE2 LYS 14 1HE LYS 14 -6.794 11.514 3.578
119 HE3 LYS 14 2HE LYS 14 -5.132 12.093 3.508
120 HZ1 LYS 14 3HZ LYS 14 -5.328 12.626 1.273
121 HZ2 LYS 14 1HZ LYS 14 -6.828 13.094 1.906
122 HZ3 LYS 14 2HZ LYS 14 -6.693 11.645 1.030
123 H ARG 15 H ARG 15 -4.361 7.888 -1.340
124 HA ARG 15 HA ARG 15 -4.722 10.550 -2.427
125 HB2 ARG 15 1HB ARG 15 -3.306 8.390 -3.883
126 HB3 ARG 15 2HB ARG 15 -4.528 9.265 -4.792
127 HG2 ARG 15 1HG ARG 15 -3.368 11.385 -4.151
128 HG3 ARG 15 2HG ARG 15 -2.076 10.394 -3.468
129 HD2 ARG 15 1HD ARG 15 -1.606 9.420 -5.602
130 HD3 ARG 15 2HD ARG 15 -3.023 10.183 -6.319
131 HE ARG 15 HE ARG 15 -0.941 11.924 -5.223
132 HH11 ARG 15 1HH1 ARG 15 -2.571 10.568 -8.009
133 HH12 ARG 15 2HH1 ARG 15 -1.887 11.701 -9.128
134 HH21 ARG 15 1HH2 ARG 15 -0.007 13.400 -6.706
135 HH22 ARG 15 2HH2 ARG 15 -0.422 13.300 -8.394
136 H GLU 16 H GLU 16 -6.728 10.827 -3.304
137 HA GLU 16 HA GLU 16 -8.440 8.439 -3.450
138 HB2 GLU 16 1HB GLU 16 -9.266 11.338 -3.150
139 HB3 GLU 16 2HB GLU 16 -10.360 9.968 -3.233
140 HG2 GLU 16 1HG GLU 16 -10.327 10.130 -1.004
141 HG3 GLU 16 2HG GLU 16 -8.821 9.228 -1.150
142 H LYS 17 H LYS 17 -8.897 7.768 -5.472
143 HA LYS 17 HA LYS 17 -8.630 9.641 -7.684
144 HB2 LYS 17 1HB LYS 17 -9.407 6.716 -7.690
145 HB3 LYS 17 2HB LYS 17 -9.183 7.700 -9.125
146 HG2 LYS 17 1HG LYS 17 -6.796 8.066 -8.268
147 HG3 LYS 17 2HG LYS 17 -7.127 6.705 -7.190
148 HD2 LYS 17 1HD LYS 17 -7.826 5.400 -9.228
149 HD3 LYS 17 2HD LYS 17 -7.200 6.727 -10.204
150 HE2 LYS 17 1HE LYS 17 -5.442 5.202 -10.147
151 HE3 LYS 17 2HE LYS 17 -5.012 6.381 -8.908
152 HZ1 LYS 17 3HZ LYS 17 -5.862 4.879 -7.218
153 HZ2 LYS 17 1HZ LYS 17 -4.677 4.102 -8.155
154 HZ3 LYS 17 2HZ LYS 17 -6.314 3.758 -8.406
155 HA PRO 18 HA PRO 18 -12.957 10.764 -7.527
156 HB2 PRO 18 1HB PRO 18 -12.425 11.536 -10.342
157 HB3 PRO 18 2HB PRO 18 -13.079 12.503 -9.017
158 HG2 PRO 18 1HG PRO 18 -10.585 12.880 -9.891
159 HG3 PRO 18 2HG PRO 18 -10.983 12.998 -8.167
160 HD2 PRO 18 1HD PRO 18 -9.654 10.772 -9.659
161 HD3 PRO 18 2HD PRO 18 -9.304 11.411 -8.039
162 H VAL 19 H VAL 19 -14.391 9.155 -7.672
163 HA VAL 19 HA VAL 19 -14.120 7.128 -9.712
164 HB VAL 19 HB VAL 19 -16.320 7.318 -7.656
165 HG11 VAL 19 1HG1 VAL 19 -15.145 4.979 -9.155
166 HG12 VAL 19 2HG1 VAL 19 -16.709 5.735 -9.462
167 HG13 VAL 19 3HG1 VAL 19 -16.422 4.888 -7.942
168 HG21 VAL 19 3HG2 VAL 19 -14.957 5.875 -6.222
169 HG22 VAL 19 1HG2 VAL 19 -14.179 7.434 -6.498
170 HG23 VAL 19 2HG2 VAL 19 -13.620 6.002 -7.365
171 H ASN 20 H ASN 20 -14.637 8.096 -11.628
172 HA ASN 20 HA ASN 20 -16.960 9.674 -12.078
173 HB2 ASN 20 1HB ASN 20 -15.347 8.075 -14.087
174 HB3 ASN 20 2HB ASN 20 -16.473 9.374 -14.463
175 HD21 ASN 20 2HD2 ASN 20 -13.338 8.557 -13.233
176 HD22 ASN 20 1HD2 ASN 20 -12.678 10.157 -13.259
177 H ASP 21 H ASP 21 -16.309 6.314 -11.905
178 HA ASP 21 HA ASP 21 -18.589 5.361 -13.303
179 HB2 ASP 21 1HB ASP 21 -16.879 4.050 -11.180
180 HB3 ASP 21 2HB ASP 21 -18.124 3.218 -12.106
181 H ARG 22 H ARG 22 -18.104 6.671 -10.159
182 HA ARG 22 HA ARG 22 -20.639 5.637 -9.159
183 HB2 ARG 22 1HB ARG 22 -18.674 5.797 -7.644
184 HB3 ARG 22 2HB ARG 22 -18.678 7.541 -7.856
185 HG2 ARG 22 1HG ARG 22 -20.842 7.703 -6.792
186 HG3 ARG 22 2HG ARG 22 -20.936 5.946 -6.662
187 HD2 ARG 22 1HD ARG 22 -18.963 5.951 -5.211
188 HD3 ARG 22 2HD ARG 22 -18.867 7.706 -5.347
189 HE ARG 22 HE ARG 22 -21.411 7.129 -4.413
190 HH11 ARG 22 1HH1 ARG 22 -18.118 6.606 -3.313
191 HH12 ARG 22 2HH1 ARG 22 -18.531 6.731 -1.630
192 HH21 ARG 22 1HH2 ARG 22 -21.952 7.257 -2.213
193 HH22 ARG 22 2HH2 ARG 22 -20.723 7.064 -0.998
194 H ARG 23 H ARG 23 -19.111 8.792 -9.787
195 HA ARG 23 HA ARG 23 -21.800 9.846 -10.375
196 HB2 ARG 23 1HB ARG 23 -20.643 10.725 -8.249
197 HB3 ARG 23 2HB ARG 23 -19.538 11.544 -9.343
198 HG2 ARG 23 1HG ARG 23 -21.325 12.824 -10.292
199 HG3 ARG 23 2HG ARG 23 -22.524 11.905 -9.378
200 HD2 ARG 23 1HD ARG 23 -21.321 12.709 -7.291
201 HD3 ARG 23 2HD ARG 23 -20.474 13.842 -8.343
202 HE ARG 23 HE ARG 23 -22.972 14.428 -8.976
203 HH11 ARG 23 1HH1 ARG 23 -21.611 13.750 -5.812
204 HH12 ARG 23 2HH1 ARG 23 -22.703 14.817 -4.978
205 HH21 ARG 23 1HH2 ARG 23 -24.426 15.810 -7.865
206 HH22 ARG 23 2HH2 ARG 23 -24.292 15.978 -6.136
207 H SER 24 H SER 24 -21.981 10.235 -12.477
208 HA SER 24 HA SER 24 -19.515 10.323 -14.047
209 HB2 SER 24 1HB SER 24 -22.354 9.834 -14.966
210 HB3 SER 24 2HB SER 24 -20.881 9.580 -15.904
211 HG SER 24 HG SER 24 -20.324 8.117 -14.012
212 H ARG 25 H ARG 25 -22.230 12.311 -13.198
213 HA ARG 25 HA ARG 25 -21.834 14.119 -15.419
214 HB2 ARG 25 1HB ARG 25 -24.095 13.800 -14.503
215 HB3 ARG 25 2HB ARG 25 -23.558 14.441 -12.953
216 HG2 ARG 25 1HG ARG 25 -23.085 16.592 -13.987
217 HG3 ARG 25 2HG ARG 25 -23.578 15.955 -15.557
218 HD2 ARG 25 1HD ARG 25 -25.356 16.161 -13.132
219 HD3 ARG 25 2HD ARG 25 -25.322 17.319 -14.460
220 HE ARG 25 HE ARG 25 -26.258 14.529 -14.634
221 HH11 ARG 25 1HH1 ARG 25 -26.044 17.757 -15.975
222 HH12 ARG 25 2HH1 ARG 25 -27.318 17.506 -17.128
223 HH21 ARG 25 1HH2 ARG 25 -27.906 14.181 -16.156
224 HH22 ARG 25 2HH2 ARG 25 -28.378 15.462 -17.237
225 H GLN 26 H GLN 26 -20.171 15.441 -15.466
226 HA GLN 26 HA GLN 26 -18.836 16.187 -12.979
227 HB2 GLN 26 1HB GLN 26 -18.033 16.789 -15.832
228 HB3 GLN 26 2HB GLN 26 -17.026 16.947 -14.398
229 HG2 GLN 26 1HG GLN 26 -17.091 14.536 -14.070
230 HG3 GLN 26 2HG GLN 26 -18.132 14.365 -15.482
231 HE21 GLN 26 2HE2 GLN 26 -15.537 13.194 -14.994
232 HE22 GLN 26 1HE2 GLN 26 -14.502 13.743 -16.266
233 H GLN 27 H GLN 27 -21.341 17.327 -14.659
234 HA GLN 27 HA GLN 27 -20.665 20.151 -14.615
235 HB2 GLN 27 1HB GLN 27 -23.211 18.716 -15.387
236 HB3 GLN 27 2HB GLN 27 -22.950 20.449 -15.537
237 HG2 GLN 27 1HG GLN 27 -21.179 20.082 -17.136
238 HG3 GLN 27 2HG GLN 27 -21.327 18.336 -16.934
239 HE21 GLN 27 2HE2 GLN 27 -21.620 20.011 -19.316
240 HE22 GLN 27 1HE2 GLN 27 -23.193 19.660 -19.939
241 H GLU 28 H GLU 28 -21.247 18.184 -12.224
242 HA GLU 28 HA GLU 28 -23.237 19.838 -10.854
243 HB2 GLU 28 1HB GLU 28 -21.949 17.238 -10.001
244 HB3 GLU 28 2HB GLU 28 -23.208 18.093 -9.119
245 HG2 GLU 28 1HG GLU 28 -24.670 17.821 -11.132
246 HG3 GLU 28 2HG GLU 28 -23.427 16.768 -11.805
247 H VAL 29 H VAL 29 -22.779 20.645 -8.720
248 HA VAL 29 HA VAL 29 -20.209 21.873 -8.578
249 HB VAL 29 HB VAL 29 -22.357 21.803 -6.454
250 HG11 VAL 29 1HG1 VAL 29 -21.313 23.871 -5.657
251 HG12 VAL 29 2HG1 VAL 29 -20.064 23.712 -6.892
252 HG13 VAL 29 3HG1 VAL 29 -20.190 22.512 -5.605
253 HG21 VAL 29 3HG2 VAL 29 -21.921 23.796 -8.676
254 HG22 VAL 29 1HG2 VAL 29 -23.085 23.965 -7.363
255 HG23 VAL 29 2HG2 VAL 29 -23.265 22.663 -8.539
256 H SER 30 H SER 30 -21.932 19.586 -6.510
257 HA SER 30 HA SER 30 -21.266 17.995 -5.047
258 HB2 SER 30 1HB SER 30 -18.730 17.958 -6.698
259 HB3 SER 30 2HB SER 30 -19.286 16.683 -5.613
260 HG SER 30 HG SER 30 -20.285 17.468 -8.110
261 HA PRO 31 HA PRO 31 -18.885 20.870 -2.399
262 HB2 PRO 31 1HB PRO 31 -20.440 20.604 -0.220
263 HB3 PRO 31 2HB PRO 31 -20.896 21.648 -1.572
264 HG2 PRO 31 1HG PRO 31 -21.833 18.884 -0.911
265 HG3 PRO 31 2HG PRO 31 -22.773 20.282 -1.466
266 HD2 PRO 31 1HD PRO 31 -21.958 18.258 -3.112
267 HD3 PRO 31 2HD PRO 31 -22.245 19.919 -3.666
268 H ALA 32 H ALA 32 -18.344 18.007 -2.929
269 HA ALA 32 HA ALA 32 -16.873 17.405 -0.531
270 HB1 ALA 32 3HB ALA 32 -17.823 15.173 -0.203
271 HB2 ALA 32 1HB ALA 32 -19.012 15.486 -1.468
272 HB3 ALA 32 2HB ALA 32 -19.046 16.422 0.027
273 H GLY 33 H GLY 33 -15.049 17.488 -1.767
274 HA2 GLY 33 1HA GLY 33 -14.919 15.981 -4.255
275 HA3 GLY 33 2HA GLY 33 -13.699 17.086 -3.643
276 H THR 34 H THR 34 -14.961 14.682 -1.508
277 HA THR 34 HA THR 34 -12.662 12.942 -2.006
278 HB THR 34 HB THR 34 -12.111 14.557 -0.129
279 HG1 THR 34 HG1 THR 34 -10.935 12.693 -0.072
280 HG21 THR 34 3HG2 THR 34 -14.248 12.979 1.315
281 HG22 THR 34 1HG2 THR 34 -14.340 14.687 0.879
282 HG23 THR 34 2HG2 THR 34 -13.144 14.142 2.056
283 H SER 35 H SER 35 -12.895 10.881 -0.718
284 HA SER 35 HA SER 35 -15.630 10.169 -0.040
285 HB2 SER 35 1HB SER 35 -14.042 8.640 -2.125
286 HB3 SER 35 2HB SER 35 -15.640 8.211 -1.514
287 HG SER 35 HG SER 35 -15.730 10.730 -2.356
288 H MET 36 H MET 36 -15.624 7.834 0.826
289 HA MET 36 HA MET 36 -13.513 7.664 2.770
290 HB2 MET 36 1HB MET 36 -15.893 5.890 2.231
291 HB3 MET 36 2HB MET 36 -14.749 5.613 3.536
292 HG2 MET 36 1HG MET 36 -15.304 7.839 4.445
293 HG3 MET 36 2HG MET 36 -16.521 8.017 3.182
294 HE1 MET 36 3HE MET 36 -16.704 4.792 6.483
295 HE2 MET 36 1HE MET 36 -15.420 5.997 6.365
296 HE3 MET 36 2HE MET 36 -15.563 4.736 5.139
297 H ARG 37 H ARG 37 -13.505 6.824 -0.348
298 HA ARG 37 HA ARG 37 -12.041 4.327 -0.018
299 HB2 ARG 37 1HB ARG 37 -13.707 4.677 -1.897
300 HB3 ARG 37 2HB ARG 37 -12.582 5.837 -2.584
301 HG2 ARG 37 1HG ARG 37 -11.632 3.077 -1.980
302 HG3 ARG 37 2HG ARG 37 -12.628 3.356 -3.405
303 HD2 ARG 37 1HD ARG 37 -10.080 4.849 -2.792
304 HD3 ARG 37 2HD ARG 37 -10.173 3.430 -3.834
305 HE ARG 37 HE ARG 37 -11.467 6.021 -4.398
306 HH11 ARG 37 1HH1 ARG 37 -10.000 3.029 -5.461
307 HH12 ARG 37 2HH1 ARG 37 -10.156 3.399 -7.153
308 HH21 ARG 37 1HH2 ARG 37 -11.644 6.519 -6.657
309 HH22 ARG 37 2HH2 ARG 37 -11.080 5.356 -7.819
310 H TYR 38 H TYR 38 -10.154 4.884 0.964
311 HA TYR 38 HA TYR 38 -8.514 6.972 -0.293
312 HB2 TYR 38 1HB TYR 38 -8.249 5.698 2.442
313 HB3 TYR 38 2HB TYR 38 -7.224 6.980 1.808
314 HD1 TYR 38 HD2 TYR 38 -8.259 9.229 1.324
315 HD2 TYR 38 HD1 TYR 38 -10.307 6.192 3.487
316 HE1 TYR 38 HE2 TYR 38 -9.818 10.915 2.204
317 HE2 TYR 38 HE1 TYR 38 -11.873 7.868 4.371
318 HH TYR 38 HH TYR 38 -12.107 10.999 3.102
319 H GLU 39 H GLU 39 -6.834 6.369 -1.480
320 HA GLU 39 HA GLU 39 -5.887 3.598 -1.236
321 HB2 GLU 39 1HB GLU 39 -5.437 5.540 -3.506
322 HB3 GLU 39 2HB GLU 39 -5.059 3.822 -3.497
323 HG2 GLU 39 1HG GLU 39 -7.475 3.342 -3.269
324 HG3 GLU 39 2HG GLU 39 -7.795 5.069 -3.425
325 H ALA 40 H ALA 40 -3.505 3.311 -1.625
326 HA ALA 40 HA ALA 40 -2.004 5.574 -0.477
327 HB1 ALA 40 3HB ALA 40 -0.632 4.004 0.770
328 HB2 ALA 40 1HB ALA 40 -1.554 2.652 0.113
329 HB3 ALA 40 2HB ALA 40 -2.333 3.808 1.194
330 H SER 41 H SER 41 0.001 5.997 -1.294
331 HA SER 41 HA SER 41 0.679 4.650 -3.794
332 HB2 SER 41 1HB SER 41 1.904 7.118 -2.531
333 HB3 SER 41 2HB SER 41 2.184 6.534 -4.172
334 HG SER 41 HG SER 41 -0.318 6.726 -4.182
335 H PHE 42 H PHE 42 2.095 3.053 -3.800
336 HA PHE 42 HA PHE 42 3.962 2.795 -1.550
337 HB2 PHE 42 1HB PHE 42 3.028 0.753 -3.579
338 HB3 PHE 42 2HB PHE 42 4.182 0.432 -2.289
339 HD1 PHE 42 HD2 PHE 42 3.443 0.495 0.068
340 HD2 PHE 42 HD1 PHE 42 0.695 0.825 -3.161
341 HE1 PHE 42 HE2 PHE 42 1.590 -0.042 1.596
342 HE2 PHE 42 HE1 PHE 42 -1.164 0.290 -1.640
343 HZ PHE 42 HZ PHE 42 -0.717 -0.144 0.741
344 H LYS 43 H LYS 43 5.952 3.378 -1.844
345 HA LYS 43 HA LYS 43 6.978 3.824 -4.545
346 HB2 LYS 43 1HB LYS 43 7.048 5.650 -2.881
347 HB3 LYS 43 2HB LYS 43 8.052 4.654 -1.840
348 HG2 LYS 43 1HG LYS 43 9.795 4.647 -3.590
349 HG3 LYS 43 2HG LYS 43 8.789 5.739 -4.549
350 HD2 LYS 43 1HD LYS 43 8.835 7.368 -2.703
351 HD3 LYS 43 2HD LYS 43 9.887 6.285 -1.790
352 HE2 LYS 43 1HE LYS 43 11.548 6.432 -3.619
353 HE3 LYS 43 2HE LYS 43 10.508 7.602 -4.431
354 HZ1 LYS 43 3HZ LYS 43 11.760 7.935 -1.754
355 HZ2 LYS 43 1HZ LYS 43 10.724 9.060 -2.493
356 HZ3 LYS 43 2HZ LYS 43 12.235 8.714 -3.183
357 HA PRO 44 HA PRO 44 9.282 -0.011 -4.135
358 HB2 PRO 44 1HB PRO 44 10.532 0.880 -6.650
359 HB3 PRO 44 2HB PRO 44 9.605 -0.585 -6.315
360 HG2 PRO 44 1HG PRO 44 8.597 1.401 -7.808
361 HG3 PRO 44 2HG PRO 44 7.576 0.450 -6.713
362 HD2 PRO 44 1HD PRO 44 8.735 3.188 -6.328
363 HD3 PRO 44 2HD PRO 44 7.108 2.588 -5.931
364 H LEU 45 H LEU 45 11.100 -0.332 -3.035
365 HA LEU 45 HA LEU 45 12.850 1.743 -2.328
366 HB2 LEU 45 1HB LEU 45 13.068 -1.244 -2.059
367 HB3 LEU 45 2HB LEU 45 14.282 -0.148 -1.427
368 HG LEU 45 HG LEU 45 11.375 -0.172 -0.607
369 HD11 LEU 45 1HD1 LEU 45 12.547 -2.166 0.158
370 HD12 LEU 45 2HD1 LEU 45 12.203 -1.081 1.507
371 HD13 LEU 45 3HD1 LEU 45 13.832 -1.164 0.833
372 HD21 LEU 45 3HD2 LEU 45 12.398 2.036 -0.446
373 HD22 LEU 45 1HD2 LEU 45 13.740 1.356 0.473
374 HD23 LEU 45 2HD2 LEU 45 12.114 1.353 1.156
375 H ASN 46 H ASN 46 13.026 -0.612 -4.917
376 HA ASN 46 HA ASN 46 15.799 0.124 -5.449
377 HB2 ASN 46 1HB ASN 46 14.105 -1.953 -6.852
378 HB3 ASN 46 2HB ASN 46 15.845 -1.737 -7.015
379 HD21 ASN 46 2HD2 ASN 46 17.193 -2.317 -5.270
380 HD22 ASN 46 1HD2 ASN 46 16.643 -3.406 -4.037
381 H GLY 47 H GLY 47 13.353 1.773 -5.901
382 HA2 GLY 47 1HA GLY 47 12.972 3.502 -7.423
383 HA3 GLY 47 2HA GLY 47 14.067 2.717 -8.553
384 H GLY 48 H GLY 48 11.384 3.846 -8.970
385 HA2 GLY 48 1HA GLY 48 10.343 2.418 -10.938
386 HA3 GLY 48 2HA GLY 48 9.757 1.501 -9.556
387 H LEU 49 H LEU 49 7.790 2.373 -10.977
388 HA LEU 49 HA LEU 49 6.959 5.025 -10.181
389 HB2 LEU 49 1HB LEU 49 5.507 2.831 -11.660
390 HB3 LEU 49 2HB LEU 49 4.851 4.431 -11.368
391 HG LEU 49 HG LEU 49 7.340 3.851 -12.973
392 HD11 LEU 49 1HD1 LEU 49 5.981 4.472 -14.911
393 HD12 LEU 49 2HD1 LEU 49 4.562 4.604 -13.872
394 HD13 LEU 49 3HD1 LEU 49 5.343 3.040 -14.103
395 HD21 LEU 49 3HD2 LEU 49 7.397 6.030 -11.888
396 HD22 LEU 49 1HD2 LEU 49 5.804 6.409 -12.541
397 HD23 LEU 49 2HD2 LEU 49 7.176 6.202 -13.630
398 H GLU 50 H GLU 50 5.602 5.544 -8.580
399 HA GLU 50 HA GLU 50 5.197 3.702 -6.469
400 HB2 GLU 50 1HB GLU 50 3.988 6.438 -6.904
401 HB3 GLU 50 2HB GLU 50 3.951 5.539 -5.394
402 HG2 GLU 50 1HG GLU 50 6.354 5.655 -5.219
403 HG3 GLU 50 2HG GLU 50 6.457 6.446 -6.790
404 H LYS 51 H LYS 51 3.738 2.149 -6.429
405 HA LYS 51 HA LYS 51 1.440 2.223 -8.181
406 HB2 LYS 51 1HB LYS 51 2.437 0.149 -6.228
407 HB3 LYS 51 2HB LYS 51 0.974 -0.045 -7.180
408 HG2 LYS 51 1HG LYS 51 2.341 0.171 -9.237
409 HG3 LYS 51 2HG LYS 51 3.787 0.218 -8.223
410 HD2 LYS 51 1HD LYS 51 3.356 -1.991 -7.397
411 HD3 LYS 51 2HD LYS 51 1.780 -2.033 -8.190
412 HE2 LYS 51 1HE LYS 51 3.297 -3.338 -9.495
413 HE3 LYS 51 2HE LYS 51 2.956 -1.854 -10.380
414 HZ1 LYS 51 3HZ LYS 51 5.071 -0.954 -9.604
415 HZ2 LYS 51 1HZ LYS 51 5.298 -2.397 -10.462
416 HZ3 LYS 51 2HZ LYS 51 5.391 -2.393 -8.772
417 H THR 52 H THR 52 -0.567 2.777 -7.627
418 HA THR 52 HA THR 52 -1.067 3.420 -4.807
419 HB THR 52 HB THR 52 -2.599 4.353 -7.242
420 HG1 THR 52 HG1 THR 52 -0.226 5.037 -6.714
421 HG21 THR 52 3HG2 THR 52 -3.895 4.414 -5.153
422 HG22 THR 52 1HG2 THR 52 -3.526 6.039 -5.729
423 HG23 THR 52 2HG2 THR 52 -2.611 5.349 -4.387
424 H PHE 53 H PHE 53 -1.943 1.700 -3.822
425 HA PHE 53 HA PHE 53 -3.974 0.133 -5.247
426 HB2 PHE 53 1HB PHE 53 -2.305 -0.469 -2.809
427 HB3 PHE 53 2HB PHE 53 -3.684 -1.457 -3.269
428 HD1 PHE 53 HD2 PHE 53 -3.665 -2.598 -5.507
429 HD2 PHE 53 HD1 PHE 53 -0.213 -0.748 -3.839
430 HE1 PHE 53 HE2 PHE 53 -2.237 -3.898 -7.030
431 HE2 PHE 53 HE1 PHE 53 1.220 -2.046 -5.360
432 HZ PHE 53 HZ PHE 53 0.209 -3.623 -6.958
433 H ARG 54 H ARG 54 -5.988 -0.242 -4.395
434 HA ARG 54 HA ARG 54 -7.051 1.937 -2.895
435 HB2 ARG 54 1HB ARG 54 -9.226 0.536 -3.115
436 HB3 ARG 54 2HB ARG 54 -8.527 1.283 -4.538
437 HG2 ARG 54 1HG ARG 54 -9.220 -0.876 -5.175
438 HG3 ARG 54 2HG ARG 54 -7.466 -0.943 -5.059
439 HD2 ARG 54 1HD ARG 54 -7.660 -1.989 -2.849
440 HD3 ARG 54 2HD ARG 54 -9.418 -1.915 -2.973
441 HE ARG 54 HE ARG 54 -8.042 -3.351 -5.095
442 HH11 ARG 54 1HH1 ARG 54 -9.703 -3.550 -2.025
443 HH12 ARG 54 2HH1 ARG 54 -10.158 -5.212 -2.224
444 HH21 ARG 54 1HH2 ARG 54 -8.638 -5.544 -5.372
445 HH22 ARG 54 2HH2 ARG 54 -9.535 -6.356 -4.121
446 H LEU 55 H LEU 55 -7.678 2.071 -0.838
447 HA LEU 55 HA LEU 55 -7.662 -0.369 0.804
448 HB2 LEU 55 1HB LEU 55 -6.510 2.301 1.625
449 HB3 LEU 55 2HB LEU 55 -6.593 0.866 2.625
450 HG LEU 55 HG LEU 55 -4.947 1.124 0.109
451 HD11 LEU 55 1HD1 LEU 55 -4.119 1.178 3.005
452 HD12 LEU 55 2HD1 LEU 55 -4.114 2.553 1.899
453 HD13 LEU 55 3HD1 LEU 55 -3.031 1.188 1.617
454 HD21 LEU 55 3HD2 LEU 55 -3.929 -0.973 0.842
455 HD22 LEU 55 1HD2 LEU 55 -5.657 -1.166 0.549
456 HD23 LEU 55 2HD2 LEU 55 -5.051 -1.045 2.200
457 H GLN 56 H GLN 56 -8.588 0.302 3.076
458 HA GLN 56 HA GLN 56 -10.841 2.153 2.702
459 HB2 GLN 56 1HB GLN 56 -10.704 -0.370 4.352
460 HB3 GLN 56 2HB GLN 56 -11.998 0.810 4.489
461 HG2 GLN 56 1HG GLN 56 -12.447 0.447 2.046
462 HG3 GLN 56 2HG GLN 56 -11.316 -0.906 2.121
463 HE21 GLN 56 2HE2 GLN 56 -14.193 -0.866 1.562
464 HE22 GLN 56 1HE2 GLN 56 -14.931 -1.891 2.742
465 H ALA 57 H ALA 57 -11.682 2.716 5.095
466 HA ALA 57 HA ALA 57 -9.746 4.458 6.137
467 HB1 ALA 57 3HB ALA 57 -12.152 4.861 6.319
468 HB2 ALA 57 1HB ALA 57 -11.363 4.932 7.895
469 HB3 ALA 57 2HB ALA 57 -12.293 3.505 7.438
470 H GLN 58 H GLN 58 -11.061 1.430 7.496
471 HA GLN 58 HA GLN 58 -9.357 1.480 9.769
472 HB2 GLN 58 1HB GLN 58 -11.083 -0.635 8.519
473 HB3 GLN 58 2HB GLN 58 -10.029 -1.012 9.878
474 HG2 GLN 58 1HG GLN 58 -11.143 0.662 11.235
475 HG3 GLN 58 2HG GLN 58 -12.169 1.103 9.871
476 HE21 GLN 58 2HE2 GLN 58 -12.767 0.028 12.571
477 HE22 GLN 58 1HE2 GLN 58 -13.738 -1.377 12.289
478 H GLN 59 H GLN 59 -8.970 0.311 6.530
479 HA GLN 59 HA GLN 59 -6.738 -1.383 7.083
480 HB2 GLN 59 1HB GLN 59 -8.132 -1.640 5.049
481 HB3 GLN 59 2HB GLN 59 -7.540 -0.088 4.472
482 HG2 GLN 59 1HG GLN 59 -6.377 -1.918 3.392
483 HG3 GLN 59 2HG GLN 59 -5.275 -0.965 4.380
484 HE21 GLN 59 2HE2 GLN 59 -4.422 -1.860 6.263
485 HE22 GLN 59 1HE2 GLN 59 -4.477 -3.561 6.572
486 H TYR 60 H TYR 60 -7.125 1.935 5.878
487 HA TYR 60 HA TYR 60 -4.356 2.469 5.604
488 HB2 TYR 60 1HB TYR 60 -6.232 3.775 4.540
489 HB3 TYR 60 2HB TYR 60 -6.556 4.482 6.118
490 HD1 TYR 60 HD2 TYR 60 -3.928 4.144 3.515
491 HD2 TYR 60 HD1 TYR 60 -5.364 6.373 6.842
492 HE1 TYR 60 HE2 TYR 60 -2.255 5.888 3.062
493 HE2 TYR 60 HE1 TYR 60 -3.696 8.123 6.396
494 HH TYR 60 HH TYR 60 -1.479 8.308 5.264
495 H HIS 61 H HIS 61 -6.510 2.412 8.286
496 HA HIS 61 HA HIS 61 -5.046 3.983 10.118
497 HB2 HIS 61 1HB HIS 61 -7.391 3.314 10.470
498 HB3 HIS 61 2HB HIS 61 -6.893 1.635 10.626
499 HD1 HIS 61 HD1 HIS 61 -7.443 1.146 13.005
500 HD2 HIS 61 HD2 HIS 61 -5.328 4.706 12.574
501 HE1 HIS 61 HE1 HIS 61 -6.920 1.918 15.343
502 HE2 HIS 61 HE2 HIS 61 -5.825 4.170 15.058
503 H ALA 62 H ALA 62 -4.499 0.864 8.797
504 HA ALA 62 HA ALA 62 -2.519 0.226 10.871
505 HB1 ALA 62 3HB ALA 62 -3.614 -1.515 8.664
506 HB2 ALA 62 1HB ALA 62 -4.138 -1.533 10.347
507 HB3 ALA 62 2HB ALA 62 -2.497 -2.024 9.930
508 H LEU 63 H LEU 63 -2.660 1.869 8.066
509 HA LEU 63 HA LEU 63 -0.214 0.850 6.870
510 HB2 LEU 63 1HB LEU 63 -2.400 2.640 6.048
511 HB3 LEU 63 2HB LEU 63 -0.813 3.133 5.493
512 HG LEU 63 HG LEU 63 -2.068 1.762 3.847
513 HD11 LEU 63 1HD1 LEU 63 0.358 1.872 3.772
514 HD12 LEU 63 2HD1 LEU 63 -0.215 0.274 3.291
515 HD13 LEU 63 3HD1 LEU 63 0.466 0.519 4.899
516 HD21 LEU 63 3HD2 LEU 63 -2.280 -0.645 4.224
517 HD22 LEU 63 1HD2 LEU 63 -3.231 0.279 5.388
518 HD23 LEU 63 2HD2 LEU 63 -1.694 -0.439 5.875
519 H THR 64 H THR 64 1.602 1.407 7.896
520 HA THR 64 HA THR 64 1.811 3.970 9.230
521 HB THR 64 HB THR 64 3.976 1.881 8.932
522 HG1 THR 64 HG1 THR 64 1.653 1.627 10.173
523 HG21 THR 64 3HG2 THR 64 4.837 2.893 10.997
524 HG22 THR 64 1HG2 THR 64 3.514 4.062 10.976
525 HG23 THR 64 2HG2 THR 64 4.730 4.083 9.699
526 H VAL 65 H VAL 65 1.978 5.593 7.801
527 HA VAL 65 HA VAL 65 3.274 5.525 5.322
528 HB VAL 65 HB VAL 65 2.539 7.841 7.112
529 HG11 VAL 65 1HG1 VAL 65 4.384 8.544 5.671
530 HG12 VAL 65 2HG1 VAL 65 2.871 9.302 5.175
531 HG13 VAL 65 3HG1 VAL 65 3.517 7.942 4.258
532 HG21 VAL 65 3HG2 VAL 65 1.323 6.747 4.587
533 HG22 VAL 65 1HG2 VAL 65 0.723 8.121 5.515
534 HG23 VAL 65 2HG2 VAL 65 0.704 6.503 6.220
535 H GLY 66 H GLY 66 5.283 5.949 4.652
536 HA2 GLY 66 1HA GLY 66 7.497 6.670 4.767
537 HA3 GLY 66 2HA GLY 66 7.271 7.031 6.472
538 H ASP 67 H ASP 67 6.131 4.336 6.994
539 HA ASP 67 HA ASP 67 8.714 3.202 7.597
540 HB2 ASP 67 1HB ASP 67 6.782 3.191 9.225
541 HB3 ASP 67 2HB ASP 67 6.041 1.948 8.217
542 H GLN 68 H GLN 68 9.620 2.517 5.789
543 HA GLN 68 HA GLN 68 8.717 0.983 3.717
544 HB2 GLN 68 1HB GLN 68 11.312 0.510 5.198
545 HB3 GLN 68 2HB GLN 68 10.976 0.125 3.516
546 HG2 GLN 68 1HG GLN 68 10.868 2.437 2.939
547 HG3 GLN 68 2HG GLN 68 10.953 2.917 4.630
548 HE21 GLN 68 2HE2 GLN 68 12.766 4.188 4.239
549 HE22 GLN 68 1HE2 GLN 68 14.335 3.491 3.977
550 H GLY 69 H GLY 69 7.996 -1.071 3.445
551 HA2 GLY 69 1HA GLY 69 8.567 -3.128 5.381
552 HA3 GLY 69 2HA GLY 69 6.910 -2.550 5.444
553 H THR 70 H THR 70 6.619 -4.914 4.941
554 HA THR 70 HA THR 70 7.312 -5.647 2.199
555 HB THR 70 HB THR 70 5.992 -7.351 4.321
556 HG1 THR 70 HG1 THR 70 7.914 -7.370 5.200
557 HG21 THR 70 3HG2 THR 70 5.709 -8.195 2.038
558 HG22 THR 70 1HG2 THR 70 6.805 -9.225 2.959
559 HG23 THR 70 2HG2 THR 70 7.449 -8.086 1.775
560 H LEU 71 H LEU 71 5.903 -5.833 0.570
561 HA LEU 71 HA LEU 71 3.042 -5.433 1.157
562 HB2 LEU 71 1HB LEU 71 3.945 -3.528 -0.020
563 HB3 LEU 71 2HB LEU 71 4.700 -4.565 -1.213
564 HG LEU 71 HG LEU 71 2.454 -5.240 -2.013
565 HD11 LEU 71 1HD1 LEU 71 0.497 -3.971 -1.298
566 HD12 LEU 71 2HD1 LEU 71 1.476 -3.132 -0.095
567 HD13 LEU 71 3HD1 LEU 71 1.204 -4.869 0.045
568 HD21 LEU 71 3HD2 LEU 71 2.966 -2.268 -1.985
569 HD22 LEU 71 1HD2 LEU 71 1.922 -3.124 -3.120
570 HD23 LEU 71 2HD2 LEU 71 3.659 -3.433 -3.114
571 H SER 72 H SER 72 1.794 -7.103 0.701
572 HA SER 72 HA SER 72 2.806 -9.162 -1.139
573 HB2 SER 72 1HB SER 72 0.703 -9.412 1.026
574 HB3 SER 72 2HB SER 72 1.368 -10.727 0.055
575 HG SER 72 HG SER 72 3.200 -9.154 1.419
576 H TYR 73 H TYR 73 1.964 -8.982 -3.093
577 HA TYR 73 HA TYR 73 -0.934 -8.759 -3.336
578 HB2 TYR 73 1HB TYR 73 -0.770 -7.111 -5.148
579 HB3 TYR 73 2HB TYR 73 -0.129 -6.466 -3.645
580 HD1 TYR 73 HD1 TYR 73 2.424 -6.470 -3.352
581 HD2 TYR 73 HD2 TYR 73 0.508 -7.073 -7.103
582 HE1 TYR 73 HE1 TYR 73 4.501 -5.841 -4.508
583 HE2 TYR 73 HE2 TYR 73 2.582 -6.451 -8.268
584 HH TYR 73 HH TYR 73 5.557 -6.273 -6.758
585 H LYS 74 H LYS 74 -1.635 -9.332 -5.588
586 HA LYS 74 HA LYS 74 0.294 -11.101 -6.912
587 HB2 LYS 74 1HB LYS 74 -1.259 -12.372 -5.341
588 HB3 LYS 74 2HB LYS 74 -2.571 -11.915 -6.418
589 HG2 LYS 74 1HG LYS 74 -1.363 -13.058 -8.273
590 HG3 LYS 74 2HG LYS 74 -0.180 -13.620 -7.084
591 HD2 LYS 74 1HD LYS 74 -3.137 -14.158 -6.863
592 HD3 LYS 74 2HD LYS 74 -2.009 -15.258 -7.655
593 HE2 LYS 74 1HE LYS 74 -1.646 -14.309 -4.824
594 HE3 LYS 74 2HE LYS 74 -2.569 -15.754 -5.232
595 HZ1 LYS 74 3HZ LYS 74 -0.631 -16.726 -6.218
596 HZ2 LYS 74 1HZ LYS 74 -0.245 -16.228 -4.641
597 HZ3 LYS 74 2HZ LYS 74 0.272 -15.314 -5.974
598 H GLY 75 H GLY 75 0.550 -9.896 -8.699
599 HA2 GLY 75 1HA GLY 75 0.014 -9.103 -10.800
600 HA3 GLY 75 2HA GLY 75 -1.630 -9.684 -10.560
601 H THR 76 H THR 76 -3.132 -8.164 -10.427
602 HA THR 76 HA THR 76 -2.325 -5.458 -9.636
603 HB THR 76 HB THR 76 -4.677 -4.914 -10.585
604 HG1 THR 76 HG1 THR 76 -4.449 -7.008 -12.342
605 HG21 THR 76 3HG2 THR 76 -2.454 -5.837 -12.413
606 HG22 THR 76 1HG2 THR 76 -2.581 -4.247 -11.660
607 HG23 THR 76 2HG2 THR 76 -3.770 -4.751 -12.859
608 H ARG 77 H ARG 77 -3.528 -8.127 -8.211
609 HA ARG 77 HA ARG 77 -5.648 -6.802 -6.710
610 HB2 ARG 77 1HB ARG 77 -6.064 -9.096 -7.496
611 HB3 ARG 77 2HB ARG 77 -4.682 -9.665 -6.566
612 HG2 ARG 77 1HG ARG 77 -5.856 -8.733 -4.521
613 HG3 ARG 77 2HG ARG 77 -7.281 -8.565 -5.544
614 HD2 ARG 77 1HD ARG 77 -7.234 -10.962 -6.011
615 HD3 ARG 77 2HD ARG 77 -5.794 -11.132 -5.004
616 HE ARG 77 HE ARG 77 -8.413 -10.254 -3.963
617 HH11 ARG 77 1HH1 ARG 77 -5.485 -12.153 -3.662
618 HH12 ARG 77 2HH1 ARG 77 -5.860 -12.705 -2.063
619 HH21 ARG 77 1HH2 ARG 77 -8.905 -10.981 -1.864
620 HH22 ARG 77 2HH2 ARG 77 -7.797 -12.038 -1.031
621 H PHE 78 H PHE 78 -5.150 -5.703 -4.964
622 HA PHE 78 HA PHE 78 -2.762 -6.088 -3.444
623 HB2 PHE 78 1HB PHE 78 -3.839 -3.903 -3.518
624 HB3 PHE 78 2HB PHE 78 -5.317 -4.572 -2.838
625 HD1 PHE 78 HD1 PHE 78 -1.822 -3.670 -2.114
626 HD2 PHE 78 HD2 PHE 78 -5.564 -4.892 -0.498
627 HE1 PHE 78 HE1 PHE 78 -1.020 -3.128 0.147
628 HE2 PHE 78 HE2 PHE 78 -4.767 -4.353 1.766
629 HZ PHE 78 HZ PHE 78 -2.492 -3.469 2.090
630 H VAL 79 H VAL 79 -2.404 -7.607 -1.930
631 HA VAL 79 HA VAL 79 -4.717 -9.111 -0.930
632 HB VAL 79 HB VAL 79 -1.785 -9.848 -0.833
633 HG11 VAL 79 1HG1 VAL 79 -3.051 -10.849 0.995
634 HG12 VAL 79 2HG1 VAL 79 -2.584 -12.073 -0.185
635 HG13 VAL 79 3HG1 VAL 79 -4.240 -11.467 -0.153
636 HG21 VAL 79 3HG2 VAL 79 -2.358 -11.486 -2.570
637 HG22 VAL 79 1HG2 VAL 79 -2.635 -9.831 -3.112
638 HG23 VAL 79 2HG2 VAL 79 -3.999 -10.841 -2.629
639 H GLY 80 H GLY 80 -1.647 -7.705 0.232
640 HA2 GLY 80 1HA GLY 80 -2.855 -6.472 2.464
641 HA3 GLY 80 2HA GLY 80 -2.150 -8.002 2.967
642 H PHE 81 H PHE 81 -1.442 -5.206 3.634
643 HA PHE 81 HA PHE 81 1.379 -5.344 2.818
644 HB2 PHE 81 1HB PHE 81 0.358 -3.359 1.837
645 HB3 PHE 81 2HB PHE 81 -0.267 -2.872 3.409
646 HD1 PHE 81 HD1 PHE 81 2.793 -3.275 1.396
647 HD2 PHE 81 HD2 PHE 81 1.100 -1.738 4.983
648 HE1 PHE 81 HE1 PHE 81 4.864 -2.017 1.831
649 HE2 PHE 81 HE2 PHE 81 3.164 -0.481 5.422
650 HZ PHE 81 HZ PHE 81 5.050 -0.618 3.848
651 H VAL 82 H VAL 82 2.781 -5.606 4.405
652 HA VAL 82 HA VAL 82 2.050 -4.771 7.122
653 HB VAL 82 HB VAL 82 3.306 -7.445 6.448
654 HG11 VAL 82 1HG1 VAL 82 4.206 -6.506 8.504
655 HG12 VAL 82 2HG1 VAL 82 3.166 -7.887 8.855
656 HG13 VAL 82 3HG1 VAL 82 2.574 -6.247 9.118
657 HG21 VAL 82 3HG2 VAL 82 1.271 -8.429 7.393
658 HG22 VAL 82 1HG2 VAL 82 0.915 -7.439 5.979
659 HG23 VAL 82 2HG2 VAL 82 0.586 -6.817 7.596
660 H SER 83 H SER 83 3.468 -3.096 7.256
661 HA SER 83 HA SER 83 6.021 -2.927 6.203
662 HB2 SER 83 1HB SER 83 5.091 -1.755 8.837
663 HB3 SER 83 2HB SER 83 6.433 -1.179 7.850
664 HG SER 83 HG SER 83 5.069 -0.091 6.706
665 H ARG 84 H ARG 84 5.456 -3.393 9.645
666 HA ARG 84 HA ARG 84 6.959 -5.830 9.761
667 HB2 ARG 84 1HB ARG 84 8.521 -3.736 9.736
668 HB3 ARG 84 2HB ARG 84 7.977 -3.538 11.394
669 HG2 ARG 84 1HG ARG 84 8.841 -5.717 11.969
670 HG3 ARG 84 2HG ARG 84 9.332 -5.981 10.288
671 HD2 ARG 84 1HD ARG 84 10.297 -3.809 12.117
672 HD3 ARG 84 2HD ARG 84 11.220 -5.227 11.615
673 HE ARG 84 HE ARG 84 10.490 -2.915 9.950
674 HH11 ARG 84 1HH1 ARG 84 12.144 -5.992 10.241
675 HH12 ARG 84 2HH1 ARG 84 13.197 -5.699 8.885
676 HH21 ARG 84 1HH2 ARG 84 11.862 -2.524 8.178
677 HH22 ARG 84 2HH2 ARG 84 13.060 -3.701 7.727
678 H THR 85 H THR 85 4.315 -4.472 10.490
679 HA THR 85 HA THR 85 4.372 -4.496 13.395
680 HB THR 85 HB THR 85 1.920 -3.676 12.940
681 HG1 THR 85 HG1 THR 85 1.495 -3.190 10.915
682 HG21 THR 85 3HG2 THR 85 2.747 -1.368 12.767
683 HG22 THR 85 1HG2 THR 85 4.342 -1.977 12.324
684 HG23 THR 85 2HG2 THR 85 3.687 -2.304 13.929
685 HA PRO 86 HA PRO 86 2.416 -8.519 13.506
686 HB2 PRO 86 1HB PRO 86 1.856 -7.895 16.312
687 HB3 PRO 86 2HB PRO 86 2.888 -9.157 15.634
688 HG2 PRO 86 1HG PRO 86 3.892 -7.015 16.935
689 HG3 PRO 86 2HG PRO 86 4.746 -7.801 15.593
690 HD2 PRO 86 1HD PRO 86 3.126 -5.282 15.596
691 HD3 PRO 86 2HD PRO 86 4.663 -5.635 14.777
692 H ASP 87 H ASP 87 0.411 -8.944 12.880
693 HA ASP 87 HA ASP 87 -1.715 -7.017 13.355
694 HB2 ASP 87 1HB ASP 87 -2.989 -8.291 11.739
695 HB3 ASP 87 2HB ASP 87 -1.360 -8.053 11.112
696 H ASN 88 H ASN 88 -0.501 -9.391 15.153
697 HA ASN 88 HA ASN 88 -2.823 -10.934 15.798
698 HB2 ASN 88 1HB ASN 88 -0.219 -10.656 17.313
699 HB3 ASN 88 2HB ASN 88 -1.438 -11.896 17.578
700 HD21 ASN 88 2HD2 ASN 88 -1.987 -12.249 14.734
701 HD22 ASN 88 1HD2 ASN 88 -0.624 -13.103 14.095
702 H GLU 89 H GLU 89 -1.815 -7.841 16.630
703 HA GLU 89 HA GLU 89 -3.038 -7.858 19.273
704 HB2 GLU 89 1HB GLU 89 -1.618 -5.679 17.735
705 HB3 GLU 89 2HB GLU 89 -2.278 -5.485 19.354
706 HG2 GLU 89 1HG GLU 89 -0.785 -7.266 20.151
707 HG3 GLU 89 2HG GLU 89 -0.094 -7.383 18.533
708 H LEU 90 H LEU 90 -4.333 -7.899 16.392
709 HA LEU 90 HA LEU 90 -6.182 -5.668 16.735
710 HB2 LEU 90 1HB LEU 90 -5.985 -7.738 14.543
711 HB3 LEU 90 2HB LEU 90 -7.099 -6.384 14.556
712 HG LEU 90 HG LEU 90 -4.088 -6.179 14.450
713 HD11 LEU 90 1HD1 LEU 90 -6.187 -5.681 12.345
714 HD12 LEU 90 2HD1 LEU 90 -5.029 -7.012 12.372
715 HD13 LEU 90 3HD1 LEU 90 -4.463 -5.353 12.176
716 HD21 LEU 90 3HD2 LEU 90 -5.088 -4.307 15.651
717 HD22 LEU 90 1HD2 LEU 90 -6.208 -4.035 14.315
718 HD23 LEU 90 2HD2 LEU 90 -4.476 -3.794 14.079
719 H GLU 91 H GLU 91 -8.206 -5.882 17.486
720 HA GLU 91 HA GLU 91 -8.928 -8.419 18.659
721 HB2 GLU 91 1HB GLU 91 -10.194 -5.688 18.736
722 HB3 GLU 91 2HB GLU 91 -10.920 -7.095 19.497
723 HG2 GLU 91 1HG GLU 91 -8.944 -7.354 20.904
724 HG3 GLU 91 2HG GLU 91 -8.220 -5.938 20.142
725 H HIS 92 H HIS 92 -9.830 -9.907 17.402
726 HA HIS 92 HA HIS 92 -11.941 -9.093 15.530
727 HB2 HIS 92 1HB HIS 92 -10.635 -11.796 15.963
728 HB3 HIS 92 2HB HIS 92 -11.886 -11.460 14.773
729 HD1 HIS 92 HD1 HIS 92 -11.131 -10.622 12.530
730 HD2 HIS 92 HD2 HIS 92 -8.126 -10.443 15.410
731 HE1 HIS 92 HE1 HIS 92 -9.031 -9.994 11.293
732 HE2 HIS 92 HE2 HIS 92 -7.196 -10.068 13.021
733 H HIS 93 H HIS 93 -13.650 -8.625 16.853
734 HA HIS 93 HA HIS 93 -14.274 -10.176 19.164
735 HB2 HIS 93 1HB HIS 93 -15.723 -7.966 17.718
736 HB3 HIS 93 2HB HIS 93 -16.453 -8.810 19.080
737 HD1 HIS 93 HD1 HIS 93 -16.426 -6.590 20.457
738 HD2 HIS 93 HD2 HIS 93 -12.664 -7.983 19.340
739 HE1 HIS 93 HE1 HIS 93 -14.774 -5.292 21.847
740 HE2 HIS 93 HE2 HIS 93 -12.510 -6.232 21.243
741 H HIS 94 H HIS 94 -14.962 -12.157 19.037
742 HA HIS 94 HA HIS 94 -16.285 -13.173 16.692
743 HB2 HIS 94 1HB HIS 94 -14.549 -14.382 18.142
744 HB3 HIS 94 2HB HIS 94 -15.856 -14.644 19.290
745 HD1 HIS 94 HD1 HIS 94 -16.501 -17.025 19.080
746 HD2 HIS 94 HD2 HIS 94 -15.827 -15.257 15.375
747 HE1 HIS 94 HE1 HIS 94 -17.029 -18.797 17.374
748 HE2 HIS 94 HE2 HIS 94 -16.408 -17.766 15.156
749 H HIS 95 H HIS 95 -17.204 -12.006 19.807
750 HA HIS 95 HA HIS 95 -19.976 -12.893 19.320
751 HB2 HIS 95 1HB HIS 95 -18.666 -13.636 21.464
752 HB3 HIS 95 2HB HIS 95 -18.982 -11.993 22.010
753 HD1 HIS 95 HD1 HIS 95 -21.020 -11.844 23.414
754 HD2 HIS 95 HD2 HIS 95 -21.302 -14.872 20.574
755 HE1 HIS 95 HE1 HIS 95 -23.234 -12.961 23.826
756 HE2 HIS 95 HE2 HIS 95 -23.356 -14.841 22.152
757 H HIS 96 H HIS 96 -21.009 -11.262 18.379
758 HA HIS 96 HA HIS 96 -20.101 -8.580 18.465
759 HB2 HIS 96 1HB HIS 96 -21.430 -9.786 16.617
760 HB3 HIS 96 2HB HIS 96 -22.855 -9.431 17.586
761 HD1 HIS 96 HD1 HIS 96 -20.415 -7.908 15.264
762 HD2 HIS 96 HD2 HIS 96 -23.526 -6.663 17.729
763 HE1 HIS 96 HE1 HIS 96 -20.955 -5.559 14.542
764 HE2 HIS 96 HE2 HIS 96 -22.980 -4.913 15.897
765 H HIS 97 H HIS 97 -22.947 -10.185 19.838
766 HA HIS 97 HA HIS 97 -22.915 -8.359 22.092
767 HB2 HIS 97 1HB HIS 97 -25.092 -8.383 20.052
768 HB3 HIS 97 2HB HIS 97 -25.561 -8.266 21.744
769 HD1 HIS 97 HD1 HIS 97 -24.796 -6.114 23.040
770 HD2 HIS 97 HD2 HIS 97 -24.012 -6.088 18.955
771 HE1 HIS 97 HE1 HIS 97 -24.283 -3.718 22.459
772 HE2 HIS 97 HE2 HIS 97 -23.927 -3.710 19.958
Start of MODEL 7
1 H1 MET 1 1H MET 1 4.013 -17.689 -0.701
2 H2 MET 1 2H MET 1 4.426 -19.070 0.184
3 H3 MET 1 3H MET 1 4.200 -19.180 -1.492
4 HA MET 1 HA MET 1 6.353 -17.699 -0.096
5 HB2 MET 1 1HB MET 1 6.517 -20.115 -1.907
6 HB3 MET 1 2HB MET 1 7.856 -19.335 -1.081
7 HG2 MET 1 1HG MET 1 7.026 -20.043 1.053
8 HG3 MET 1 2HG MET 1 5.557 -20.682 0.313
9 HE1 MET 1 3HE MET 1 5.863 -23.034 1.467
10 HE2 MET 1 1HE MET 1 7.296 -22.417 2.290
11 HE3 MET 1 2HE MET 1 7.365 -23.956 1.431
12 H ALA 2 H ALA 2 6.109 -19.145 -3.329
13 HA ALA 2 HA ALA 2 7.324 -16.773 -4.429
14 HB1 ALA 2 3HB ALA 2 8.078 -19.000 -5.091
15 HB2 ALA 2 1HB ALA 2 7.550 -18.040 -6.473
16 HB3 ALA 2 2HB ALA 2 6.506 -19.307 -5.829
17 HA PRO 3 HA PRO 3 3.113 -16.877 -7.102
18 HB2 PRO 3 1HB PRO 3 1.414 -17.693 -4.782
19 HB3 PRO 3 2HB PRO 3 1.180 -17.993 -6.509
20 HG2 PRO 3 1HG PRO 3 2.063 -19.931 -4.935
21 HG3 PRO 3 2HG PRO 3 2.748 -19.710 -6.556
22 HD2 PRO 3 1HD PRO 3 3.903 -19.003 -3.897
23 HD3 PRO 3 2HD PRO 3 4.713 -19.602 -5.358
24 H LEU 4 H LEU 4 3.050 -16.236 -3.613
25 HA LEU 4 HA LEU 4 1.806 -13.656 -3.964
26 HB2 LEU 4 1HB LEU 4 1.489 -15.078 -1.925
27 HB3 LEU 4 2HB LEU 4 3.173 -14.808 -1.529
28 HG LEU 4 HG LEU 4 2.727 -12.396 -1.310
29 HD11 LEU 4 1HD1 LEU 4 0.840 -12.227 -2.843
30 HD12 LEU 4 2HD1 LEU 4 0.418 -11.601 -1.249
31 HD13 LEU 4 3HD1 LEU 4 -0.147 -13.195 -1.748
32 HD21 LEU 4 3HD2 LEU 4 1.459 -12.549 0.779
33 HD22 LEU 4 1HD2 LEU 4 2.650 -13.842 0.647
34 HD23 LEU 4 2HD2 LEU 4 0.945 -14.179 0.346
35 H GLN 5 H GLN 5 3.017 -12.156 -4.970
36 HA GLN 5 HA GLN 5 5.890 -12.238 -4.787
37 HB2 GLN 5 1HB GLN 5 4.700 -11.664 -6.902
38 HB3 GLN 5 2HB GLN 5 4.143 -10.179 -6.144
39 HG2 GLN 5 1HG GLN 5 6.062 -9.773 -7.575
40 HG3 GLN 5 2HG GLN 5 6.440 -9.424 -5.888
41 HE21 GLN 5 2HE2 GLN 5 8.641 -9.674 -6.186
42 HE22 GLN 5 1HE2 GLN 5 9.384 -11.212 -6.457
43 H GLN 6 H GLN 6 6.921 -11.421 -3.142
44 HA GLN 6 HA GLN 6 5.691 -9.267 -1.587
45 HB2 GLN 6 1HB GLN 6 8.003 -11.092 -0.897
46 HB3 GLN 6 2HB GLN 6 7.277 -9.903 0.177
47 HG2 GLN 6 1HG GLN 6 5.181 -11.125 0.153
48 HG3 GLN 6 2HG GLN 6 5.862 -12.295 -0.977
49 HE21 GLN 6 2HE2 GLN 6 4.767 -12.690 1.699
50 HE22 GLN 6 1HE2 GLN 6 6.023 -13.432 2.623
51 H LYS 7 H LYS 7 6.421 -7.277 -1.776
52 HA LYS 7 HA LYS 7 9.213 -6.842 -2.621
53 HB2 LYS 7 1HB LYS 7 7.682 -6.415 -4.514
54 HB3 LYS 7 2HB LYS 7 6.776 -5.282 -3.522
55 HG2 LYS 7 1HG LYS 7 8.145 -3.970 -4.897
56 HG3 LYS 7 2HG LYS 7 8.919 -3.956 -3.312
57 HD2 LYS 7 1HD LYS 7 10.681 -4.284 -4.815
58 HD3 LYS 7 2HD LYS 7 10.338 -5.897 -4.189
59 HE2 LYS 7 1HE LYS 7 9.218 -4.828 -6.777
60 HE3 LYS 7 2HE LYS 7 10.706 -5.763 -6.672
61 HZ1 LYS 7 3HZ LYS 7 9.447 -7.602 -5.748
62 HZ2 LYS 7 1HZ LYS 7 8.831 -7.153 -7.263
63 HZ3 LYS 7 2HZ LYS 7 8.008 -6.705 -5.850
64 H GLN 8 H GLN 8 10.310 -5.413 -1.337
65 HA GLN 8 HA GLN 8 8.886 -4.147 0.827
66 HB2 GLN 8 1HB GLN 8 11.161 -5.070 1.156
67 HB3 GLN 8 2HB GLN 8 11.791 -3.872 0.033
68 HG2 GLN 8 1HG GLN 8 11.289 -2.091 1.500
69 HG3 GLN 8 2HG GLN 8 10.309 -3.128 2.535
70 HE21 GLN 8 2HE2 GLN 8 11.315 -4.535 3.956
71 HE22 GLN 8 1HE2 GLN 8 12.985 -4.378 4.381
72 H VAL 9 H VAL 9 7.833 -2.331 0.591
73 HA VAL 9 HA VAL 9 8.703 -0.455 -1.509
74 HB VAL 9 HB VAL 9 6.340 0.122 -1.892
75 HG11 VAL 9 1HG1 VAL 9 5.690 -1.925 -3.080
76 HG12 VAL 9 2HG1 VAL 9 6.949 -2.813 -2.223
77 HG13 VAL 9 3HG1 VAL 9 7.387 -1.520 -3.340
78 HG21 VAL 9 3HG2 VAL 9 5.437 -0.471 0.288
79 HG22 VAL 9 1HG2 VAL 9 5.755 -2.177 -0.027
80 HG23 VAL 9 2HG2 VAL 9 4.561 -1.309 -0.993
81 H VAL 10 H VAL 10 7.909 1.747 -1.210
82 HA VAL 10 HA VAL 10 7.785 2.509 1.632
83 HB VAL 10 HB VAL 10 8.383 4.265 -0.752
84 HG11 VAL 10 1HG1 VAL 10 7.513 5.477 1.166
85 HG12 VAL 10 2HG1 VAL 10 9.220 5.848 0.926
86 HG13 VAL 10 3HG1 VAL 10 8.730 4.738 2.208
87 HG21 VAL 10 3HG2 VAL 10 10.311 2.979 1.176
88 HG22 VAL 10 1HG2 VAL 10 10.734 4.178 -0.044
89 HG23 VAL 10 2HG2 VAL 10 10.132 2.594 -0.535
90 H VAL 11 H VAL 11 5.760 2.967 2.325
91 HA VAL 11 HA VAL 11 3.690 3.782 0.509
92 HB VAL 11 HB VAL 11 3.667 4.014 3.525
93 HG11 VAL 11 1HG1 VAL 11 1.933 5.308 2.413
94 HG12 VAL 11 2HG1 VAL 11 1.230 3.925 3.252
95 HG13 VAL 11 3HG1 VAL 11 1.433 3.882 1.500
96 HG21 VAL 11 3HG2 VAL 11 4.156 1.719 2.887
97 HG22 VAL 11 1HG2 VAL 11 2.777 1.716 1.787
98 HG23 VAL 11 2HG2 VAL 11 2.517 1.848 3.526
99 H SER 12 H SER 12 4.204 5.643 -0.510
100 HA SER 12 HA SER 12 5.610 7.775 0.683
101 HB2 SER 12 1HB SER 12 3.876 7.810 -1.799
102 HB3 SER 12 2HB SER 12 5.080 9.021 -1.363
103 HG SER 12 HG SER 12 5.788 7.397 -2.904
104 H ASN 13 H ASN 13 2.171 7.434 -0.162
105 HA ASN 13 HA ASN 13 1.333 9.086 1.989
106 HB2 ASN 13 1HB ASN 13 0.392 10.926 0.574
107 HB3 ASN 13 2HB ASN 13 2.147 10.915 0.671
108 HD21 ASN 13 2HD2 ASN 13 2.459 12.038 -1.192
109 HD22 ASN 13 1HD2 ASN 13 2.115 11.396 -2.763
110 H LYS 14 H LYS 14 -1.025 9.788 1.606
111 HA LYS 14 HA LYS 14 -2.478 7.514 0.467
112 HB2 LYS 14 1HB LYS 14 -3.014 7.951 2.770
113 HB3 LYS 14 2HB LYS 14 -3.233 9.664 2.450
114 HG2 LYS 14 1HG LYS 14 -5.155 9.006 0.954
115 HG3 LYS 14 2HG LYS 14 -5.001 7.387 1.636
116 HD2 LYS 14 1HD LYS 14 -6.714 8.611 2.824
117 HD3 LYS 14 2HD LYS 14 -5.338 8.328 3.889
118 HE2 LYS 14 1HE LYS 14 -5.643 10.894 2.356
119 HE3 LYS 14 2HE LYS 14 -6.435 10.652 3.910
120 HZ1 LYS 14 3HZ LYS 14 -4.377 11.747 4.294
121 HZ2 LYS 14 1HZ LYS 14 -3.513 10.625 3.361
122 HZ3 LYS 14 2HZ LYS 14 -4.193 10.153 4.839
123 H ARG 15 H ARG 15 -3.104 7.838 -1.579
124 HA ARG 15 HA ARG 15 -3.835 10.560 -2.401
125 HB2 ARG 15 1HB ARG 15 -2.940 8.168 -4.000
126 HB3 ARG 15 2HB ARG 15 -3.687 9.572 -4.750
127 HG2 ARG 15 1HG ARG 15 -1.896 10.989 -3.864
128 HG3 ARG 15 2HG ARG 15 -1.142 9.566 -3.140
129 HD2 ARG 15 1HD ARG 15 -0.878 8.576 -5.359
130 HD3 ARG 15 2HD ARG 15 -1.647 9.986 -6.085
131 HE ARG 15 HE ARG 15 0.297 11.263 -5.081
132 HH11 ARG 15 1HH1 ARG 15 0.542 7.907 -6.055
133 HH12 ARG 15 2HH1 ARG 15 2.244 7.996 -6.376
134 HH21 ARG 15 1HH2 ARG 15 2.539 11.384 -5.516
135 HH22 ARG 15 2HH2 ARG 15 3.391 9.952 -6.051
136 H GLU 16 H GLU 16 -5.783 10.992 -3.292
137 HA GLU 16 HA GLU 16 -7.770 8.816 -3.222
138 HB2 GLU 16 1HB GLU 16 -8.131 11.741 -2.532
139 HB3 GLU 16 2HB GLU 16 -9.431 10.558 -2.605
140 HG2 GLU 16 1HG GLU 16 -8.586 9.378 -0.737
141 HG3 GLU 16 2HG GLU 16 -7.066 10.270 -0.775
142 H LYS 17 H LYS 17 -8.252 8.311 -5.281
143 HA LYS 17 HA LYS 17 -8.126 10.378 -7.329
144 HB2 LYS 17 1HB LYS 17 -8.836 7.460 -7.673
145 HB3 LYS 17 2HB LYS 17 -8.435 8.602 -8.944
146 HG2 LYS 17 1HG LYS 17 -6.155 8.794 -7.818
147 HG3 LYS 17 2HG LYS 17 -6.621 7.348 -6.915
148 HD2 LYS 17 1HD LYS 17 -7.203 6.385 -9.255
149 HD3 LYS 17 2HD LYS 17 -6.164 7.677 -9.856
150 HE2 LYS 17 1HE LYS 17 -4.758 5.808 -9.646
151 HE3 LYS 17 2HE LYS 17 -4.409 6.804 -8.232
152 HZ1 LYS 17 3HZ LYS 17 -5.862 5.391 -6.913
153 HZ2 LYS 17 1HZ LYS 17 -4.640 4.466 -7.643
154 HZ3 LYS 17 2HZ LYS 17 -6.211 4.440 -8.273
155 HA PRO 18 HA PRO 18 -12.575 10.981 -7.081
156 HB2 PRO 18 1HB PRO 18 -12.686 12.676 -9.225
157 HB3 PRO 18 2HB PRO 18 -12.250 13.199 -7.596
158 HG2 PRO 18 1HG PRO 18 -10.483 12.574 -9.923
159 HG3 PRO 18 2HG PRO 18 -10.349 13.880 -8.732
160 HD2 PRO 18 1HD PRO 18 -8.836 11.639 -8.613
161 HD3 PRO 18 2HD PRO 18 -9.360 12.516 -7.160
162 H VAL 19 H VAL 19 -14.043 9.650 -7.975
163 HA VAL 19 HA VAL 19 -13.219 7.919 -10.104
164 HB VAL 19 HB VAL 19 -15.974 8.109 -8.877
165 HG11 VAL 19 1HG1 VAL 19 -16.154 5.763 -9.570
166 HG12 VAL 19 2HG1 VAL 19 -14.552 5.860 -10.300
167 HG13 VAL 19 3HG1 VAL 19 -15.875 6.830 -10.947
168 HG21 VAL 19 3HG2 VAL 19 -13.610 6.456 -7.986
169 HG22 VAL 19 1HG2 VAL 19 -15.249 6.326 -7.350
170 HG23 VAL 19 2HG2 VAL 19 -14.325 7.809 -7.110
171 H ASN 20 H ASN 20 -15.822 10.310 -9.709
172 HA ASN 20 HA ASN 20 -17.091 11.466 -11.199
173 HB2 ASN 20 1HB ASN 20 -14.495 11.284 -12.722
174 HB3 ASN 20 2HB ASN 20 -15.873 12.204 -13.314
175 HD21 ASN 20 2HD2 ASN 20 -16.576 14.013 -12.134
176 HD22 ASN 20 1HD2 ASN 20 -15.503 14.847 -11.054
177 H ASP 21 H ASP 21 -17.415 8.617 -11.269
178 HA ASP 21 HA ASP 21 -17.601 7.875 -14.050
179 HB2 ASP 21 1HB ASP 21 -18.370 5.734 -13.290
180 HB3 ASP 21 2HB ASP 21 -17.032 6.222 -12.260
181 H ARG 22 H ARG 22 -19.789 6.843 -14.740
182 HA ARG 22 HA ARG 22 -21.495 9.103 -14.955
183 HB2 ARG 22 1HB ARG 22 -21.954 6.266 -15.881
184 HB3 ARG 22 2HB ARG 22 -22.889 7.670 -16.381
185 HG2 ARG 22 1HG ARG 22 -20.784 8.654 -17.288
186 HG3 ARG 22 2HG ARG 22 -19.987 7.120 -16.940
187 HD2 ARG 22 1HD ARG 22 -21.617 5.979 -18.396
188 HD3 ARG 22 2HD ARG 22 -22.333 7.544 -18.784
189 HE ARG 22 HE ARG 22 -19.799 6.486 -19.734
190 HH11 ARG 22 1HH1 ARG 22 -21.884 9.272 -19.420
191 HH12 ARG 22 2HH1 ARG 22 -21.129 10.150 -20.707
192 HH21 ARG 22 1HH2 ARG 22 -18.793 7.640 -21.439
193 HH22 ARG 22 2HH2 ARG 22 -19.381 9.223 -21.864
194 H ARG 23 H ARG 23 -21.978 5.899 -13.450
195 HA ARG 23 HA ARG 23 -24.148 7.157 -11.905
196 HB2 ARG 23 1HB ARG 23 -23.999 4.257 -12.738
197 HB3 ARG 23 2HB ARG 23 -25.278 4.998 -11.786
198 HG2 ARG 23 1HG ARG 23 -25.566 6.557 -13.831
199 HG3 ARG 23 2HG ARG 23 -24.672 5.301 -14.693
200 HD2 ARG 23 1HD ARG 23 -27.010 4.857 -14.941
201 HD3 ARG 23 2HD ARG 23 -26.330 3.642 -13.857
202 HE ARG 23 HE ARG 23 -27.399 5.907 -12.455
203 HH11 ARG 23 1HH1 ARG 23 -28.225 2.857 -13.965
204 HH12 ARG 23 2HH1 ARG 23 -29.672 2.631 -13.030
205 HH21 ARG 23 1HH2 ARG 23 -29.291 5.619 -11.219
206 HH22 ARG 23 2HH2 ARG 23 -30.271 4.207 -11.452
207 H SER 24 H SER 24 -22.610 7.733 -10.326
208 HA SER 24 HA SER 24 -21.042 5.844 -8.926
209 HB2 SER 24 1HB SER 24 -22.119 8.478 -7.890
210 HB3 SER 24 2HB SER 24 -20.693 7.612 -7.315
211 HG SER 24 HG SER 24 -19.872 7.886 -9.539
212 H ARG 25 H ARG 25 -21.812 4.211 -7.770
213 HA ARG 25 HA ARG 25 -24.553 4.235 -6.853
214 HB2 ARG 25 1HB ARG 25 -22.448 2.100 -6.465
215 HB3 ARG 25 2HB ARG 25 -24.186 1.914 -6.256
216 HG2 ARG 25 1HG ARG 25 -24.470 2.442 -8.668
217 HG3 ARG 25 2HG ARG 25 -22.714 2.436 -8.828
218 HD2 ARG 25 1HD ARG 25 -23.406 0.300 -9.508
219 HD3 ARG 25 2HD ARG 25 -22.784 0.088 -7.872
220 HE ARG 25 HE ARG 25 -25.088 -0.016 -7.096
221 HH11 ARG 25 1HH1 ARG 25 -24.565 -0.284 -10.554
222 HH12 ARG 25 2HH1 ARG 25 -26.035 -1.172 -10.838
223 HH21 ARG 25 1HH2 ARG 25 -27.041 -1.174 -7.474
224 HH22 ARG 25 2HH2 ARG 25 -27.453 -1.653 -9.097
225 H GLN 26 H GLN 26 -25.246 4.143 -4.737
226 HA GLN 26 HA GLN 26 -23.495 5.592 -2.947
227 HB2 GLN 26 1HB GLN 26 -26.375 4.750 -2.606
228 HB3 GLN 26 2HB GLN 26 -25.494 5.842 -1.548
229 HG2 GLN 26 1HG GLN 26 -25.240 7.412 -3.424
230 HG3 GLN 26 2HG GLN 26 -26.189 6.325 -4.435
231 HE21 GLN 26 2HE2 GLN 26 -27.915 5.599 -2.153
232 HE22 GLN 26 1HE2 GLN 26 -28.982 6.938 -1.934
233 H GLN 27 H GLN 27 -22.541 4.830 -1.170
234 HA GLN 27 HA GLN 27 -22.615 2.046 -0.508
235 HB2 GLN 27 1HB GLN 27 -20.593 3.413 -0.176
236 HB3 GLN 27 2HB GLN 27 -21.448 4.400 1.000
237 HG2 GLN 27 1HG GLN 27 -21.669 2.474 2.473
238 HG3 GLN 27 2HG GLN 27 -20.842 1.465 1.287
239 HE21 GLN 27 2HE2 GLN 27 -19.202 0.956 2.735
240 HE22 GLN 27 1HE2 GLN 27 -17.973 2.101 3.169
241 H GLU 28 H GLU 28 -23.949 5.005 0.806
242 HA GLU 28 HA GLU 28 -25.585 3.492 2.707
243 HB2 GLU 28 1HB GLU 28 -25.061 6.461 2.418
244 HB3 GLU 28 2HB GLU 28 -26.157 5.762 3.602
245 HG2 GLU 28 1HG GLU 28 -23.275 4.957 3.468
246 HG3 GLU 28 2HG GLU 28 -23.798 6.386 4.357
247 H VAL 29 H VAL 29 -27.890 3.794 2.695
248 HA VAL 29 HA VAL 29 -28.918 3.846 0.024
249 HB VAL 29 HB VAL 29 -30.472 3.753 2.616
250 HG11 VAL 29 1HG1 VAL 29 -32.222 2.698 1.264
251 HG12 VAL 29 2HG1 VAL 29 -31.238 2.924 -0.182
252 HG13 VAL 29 3HG1 VAL 29 -31.854 4.325 0.694
253 HG21 VAL 29 3HG2 VAL 29 -29.407 1.496 0.921
254 HG22 VAL 29 1HG2 VAL 29 -30.479 1.318 2.310
255 HG23 VAL 29 2HG2 VAL 29 -28.847 1.948 2.531
256 H SER 30 H SER 30 -28.717 6.117 2.627
257 HA SER 30 HA SER 30 -30.689 7.951 1.857
258 HB2 SER 30 1HB SER 30 -28.047 8.557 3.206
259 HB3 SER 30 2HB SER 30 -29.529 9.512 3.297
260 HG SER 30 HG SER 30 -30.495 7.517 4.208
261 HA PRO 31 HA PRO 31 -29.082 9.523 -1.924
262 HB2 PRO 31 1HB PRO 31 -30.614 11.973 -1.462
263 HB3 PRO 31 2HB PRO 31 -30.865 10.707 -2.665
264 HG2 PRO 31 1HG PRO 31 -32.546 11.066 -0.591
265 HG3 PRO 31 2HG PRO 31 -32.209 9.463 -1.270
266 HD2 PRO 31 1HD PRO 31 -31.085 10.752 1.193
267 HD3 PRO 31 2HD PRO 31 -31.660 9.087 0.957
268 H ALA 32 H ALA 32 -27.145 9.881 -0.093
269 HA ALA 32 HA ALA 32 -25.892 12.264 -1.127
270 HB1 ALA 32 3HB ALA 32 -25.307 13.224 1.042
271 HB2 ALA 32 1HB ALA 32 -26.270 11.992 1.857
272 HB3 ALA 32 2HB ALA 32 -27.057 13.186 0.825
273 H GLY 33 H GLY 33 -25.686 9.214 -0.855
274 HA2 GLY 33 1HA GLY 33 -23.383 8.821 0.848
275 HA3 GLY 33 2HA GLY 33 -24.247 7.582 -0.046
276 H THR 34 H THR 34 -21.653 9.875 -0.094
277 HA THR 34 HA THR 34 -20.735 8.751 -2.648
278 HB THR 34 HB THR 34 -20.648 11.156 -2.678
279 HG1 THR 34 HG1 THR 34 -18.769 10.995 -3.633
280 HG21 THR 34 3HG2 THR 34 -19.003 10.985 -0.149
281 HG22 THR 34 1HG2 THR 34 -20.657 11.586 -0.272
282 HG23 THR 34 2HG2 THR 34 -19.341 12.457 -1.060
283 H SER 35 H SER 35 -18.916 7.502 -2.737
284 HA SER 35 HA SER 35 -17.977 6.538 -0.150
285 HB2 SER 35 1HB SER 35 -18.842 4.967 -1.954
286 HB3 SER 35 2HB SER 35 -17.381 5.345 -2.863
287 HG SER 35 HG SER 35 -17.694 3.554 -0.936
288 H MET 36 H MET 36 -16.577 8.212 0.410
289 HA MET 36 HA MET 36 -14.376 8.925 -1.295
290 HB2 MET 36 1HB MET 36 -14.863 9.503 1.635
291 HB3 MET 36 2HB MET 36 -13.543 10.175 0.686
292 HG2 MET 36 1HG MET 36 -15.209 11.235 -0.801
293 HG3 MET 36 2HG MET 36 -16.484 10.643 0.262
294 HE1 MET 36 3HE MET 36 -15.651 12.546 3.605
295 HE2 MET 36 1HE MET 36 -15.037 10.965 3.122
296 HE3 MET 36 2HE MET 36 -16.724 11.384 2.824
297 H ARG 37 H ARG 37 -13.362 7.024 -1.764
298 HA ARG 37 HA ARG 37 -12.444 5.304 0.392
299 HB2 ARG 37 1HB ARG 37 -12.194 5.029 -2.609
300 HB3 ARG 37 2HB ARG 37 -11.750 3.801 -1.431
301 HG2 ARG 37 1HG ARG 37 -14.013 3.501 -0.767
302 HG3 ARG 37 2HG ARG 37 -14.531 4.912 -1.692
303 HD2 ARG 37 1HD ARG 37 -13.971 3.793 -3.764
304 HD3 ARG 37 2HD ARG 37 -13.344 2.407 -2.875
305 HE ARG 37 HE ARG 37 -16.041 2.902 -2.164
306 HH11 ARG 37 1HH1 ARG 37 -14.134 1.746 -4.864
307 HH12 ARG 37 2HH1 ARG 37 -15.312 0.569 -5.365
308 HH21 ARG 37 1HH2 ARG 37 -17.630 1.402 -2.855
309 HH22 ARG 37 2HH2 ARG 37 -17.320 0.397 -4.244
310 H TYR 38 H TYR 38 -10.441 5.295 1.164
311 HA TYR 38 HA TYR 38 -8.543 7.206 0.062
312 HB2 TYR 38 1HB TYR 38 -8.354 5.583 2.609
313 HB3 TYR 38 2HB TYR 38 -7.348 6.957 2.158
314 HD1 TYR 38 HD2 TYR 38 -8.747 9.169 1.622
315 HD2 TYR 38 HD1 TYR 38 -10.092 5.966 4.077
316 HE1 TYR 38 HE2 TYR 38 -10.327 10.691 2.731
317 HE2 TYR 38 HE1 TYR 38 -11.678 7.480 5.192
318 HH TYR 38 HH TYR 38 -11.904 9.922 5.609
319 H GLU 39 H GLU 39 -6.814 6.620 -1.084
320 HA GLU 39 HA GLU 39 -6.118 3.765 -1.157
321 HB2 GLU 39 1HB GLU 39 -5.601 5.865 -3.270
322 HB3 GLU 39 2HB GLU 39 -5.253 4.147 -3.402
323 HG2 GLU 39 1HG GLU 39 -7.688 3.700 -3.197
324 HG3 GLU 39 2HG GLU 39 -7.963 5.442 -3.241
325 H ALA 40 H ALA 40 -3.809 3.294 -1.487
326 HA ALA 40 HA ALA 40 -2.115 5.347 -0.209
327 HB1 ALA 40 3HB ALA 40 -0.872 3.557 0.874
328 HB2 ALA 40 1HB ALA 40 -1.922 2.357 0.122
329 HB3 ALA 40 2HB ALA 40 -2.580 3.484 1.308
330 H SER 41 H SER 41 -0.147 5.755 -1.089
331 HA SER 41 HA SER 41 0.380 4.517 -3.683
332 HB2 SER 41 1HB SER 41 1.772 6.860 -2.365
333 HB3 SER 41 2HB SER 41 1.894 6.372 -4.056
334 HG SER 41 HG SER 41 0.112 7.990 -2.924
335 H PHE 42 H PHE 42 1.615 2.774 -3.698
336 HA PHE 42 HA PHE 42 3.750 2.505 -1.694
337 HB2 PHE 42 1HB PHE 42 2.597 0.421 -3.571
338 HB3 PHE 42 2HB PHE 42 3.775 0.129 -2.297
339 HD1 PHE 42 HD2 PHE 42 3.091 0.311 0.075
340 HD2 PHE 42 HD1 PHE 42 0.279 0.560 -3.110
341 HE1 PHE 42 HE2 PHE 42 1.262 -0.134 1.658
342 HE2 PHE 42 HE1 PHE 42 -1.554 0.114 -1.532
343 HZ PHE 42 HZ PHE 42 -1.064 -0.234 0.856
344 H LYS 43 H LYS 43 5.572 3.350 -2.369
345 HA LYS 43 HA LYS 43 6.333 3.182 -5.187
346 HB2 LYS 43 1HB LYS 43 6.514 5.349 -4.011
347 HB3 LYS 43 2HB LYS 43 7.640 4.626 -2.872
348 HG2 LYS 43 1HG LYS 43 9.257 4.277 -4.636
349 HG3 LYS 43 2HG LYS 43 8.114 4.898 -5.833
350 HD2 LYS 43 1HD LYS 43 8.099 7.062 -4.683
351 HD3 LYS 43 2HD LYS 43 9.252 6.440 -3.503
352 HE2 LYS 43 1HE LYS 43 10.904 6.123 -5.258
353 HE3 LYS 43 2HE LYS 43 9.746 6.680 -6.468
354 HZ1 LYS 43 3HZ LYS 43 11.301 8.425 -5.812
355 HZ2 LYS 43 1HZ LYS 43 10.773 8.306 -4.202
356 HZ3 LYS 43 2HZ LYS 43 9.704 8.837 -5.407
357 HA PRO 44 HA PRO 44 8.685 -0.412 -3.871
358 HB2 PRO 44 1HB PRO 44 9.313 -1.274 -6.356
359 HB3 PRO 44 2HB PRO 44 7.719 -1.525 -5.637
360 HG2 PRO 44 1HG PRO 44 8.601 0.520 -7.626
361 HG3 PRO 44 2HG PRO 44 7.089 -0.403 -7.561
362 HD2 PRO 44 1HD PRO 44 7.327 2.189 -6.719
363 HD3 PRO 44 2HD PRO 44 6.124 1.051 -6.080
364 H LEU 45 H LEU 45 10.807 -0.659 -3.454
365 HA LEU 45 HA LEU 45 12.634 1.395 -4.185
366 HB2 LEU 45 1HB LEU 45 13.113 -1.277 -2.862
367 HB3 LEU 45 2HB LEU 45 14.300 0.010 -2.982
368 HG LEU 45 HG LEU 45 11.660 0.280 -1.542
369 HD11 LEU 45 1HD1 LEU 45 13.067 -1.377 -0.441
370 HD12 LEU 45 2HD1 LEU 45 12.946 0.099 0.517
371 HD13 LEU 45 3HD1 LEU 45 14.407 -0.230 -0.415
372 HD21 LEU 45 3HD2 LEU 45 12.589 2.386 -2.353
373 HD22 LEU 45 1HD2 LEU 45 14.124 2.019 -1.566
374 HD23 LEU 45 2HD2 LEU 45 12.677 2.288 -0.594
375 H ASN 46 H ASN 46 11.947 -1.813 -5.358
376 HA ASN 46 HA ASN 46 13.464 -1.144 -7.758
377 HB2 ASN 46 1HB ASN 46 14.943 -2.605 -6.395
378 HB3 ASN 46 2HB ASN 46 13.688 -3.840 -6.395
379 HD21 ASN 46 2HD2 ASN 46 14.942 -5.346 -7.456
380 HD22 ASN 46 1HD2 ASN 46 15.372 -5.199 -9.122
381 H GLY 47 H GLY 47 11.345 -0.715 -8.577
382 HA2 GLY 47 1HA GLY 47 10.182 -3.078 -9.768
383 HA3 GLY 47 2HA GLY 47 9.138 -2.312 -8.583
384 H GLY 48 H GLY 48 9.734 0.382 -9.100
385 HA2 GLY 48 1HA GLY 48 9.747 1.487 -11.492
386 HA3 GLY 48 2HA GLY 48 8.204 0.650 -11.574
387 H LEU 49 H LEU 49 6.793 2.291 -11.560
388 HA LEU 49 HA LEU 49 7.235 4.657 -9.986
389 HB2 LEU 49 1HB LEU 49 6.213 4.657 -12.255
390 HB3 LEU 49 2HB LEU 49 4.813 3.840 -11.593
391 HG LEU 49 HG LEU 49 4.383 5.801 -10.142
392 HD11 LEU 49 1HD1 LEU 49 5.568 7.889 -10.567
393 HD12 LEU 49 2HD1 LEU 49 6.635 7.060 -11.701
394 HD13 LEU 49 3HD1 LEU 49 6.670 6.638 -9.989
395 HD21 LEU 49 3HD2 LEU 49 3.590 7.277 -11.921
396 HD22 LEU 49 1HD2 LEU 49 3.255 5.585 -12.292
397 HD23 LEU 49 2HD2 LEU 49 4.593 6.414 -13.087
398 H GLU 50 H GLU 50 5.536 5.559 -8.587
399 HA GLU 50 HA GLU 50 4.858 3.866 -6.445
400 HB2 GLU 50 1HB GLU 50 3.573 6.519 -7.112
401 HB3 GLU 50 2HB GLU 50 3.692 5.764 -5.529
402 HG2 GLU 50 1HG GLU 50 6.092 6.085 -5.526
403 HG3 GLU 50 2HG GLU 50 6.019 6.773 -7.149
404 H LYS 51 H LYS 51 3.270 2.417 -6.336
405 HA LYS 51 HA LYS 51 1.006 2.680 -8.180
406 HB2 LYS 51 1HB LYS 51 2.123 0.333 -6.657
407 HB3 LYS 51 2HB LYS 51 0.555 0.278 -7.453
408 HG2 LYS 51 1HG LYS 51 1.589 0.702 -9.597
409 HG3 LYS 51 2HG LYS 51 3.168 0.870 -8.827
410 HD2 LYS 51 1HD LYS 51 1.500 -1.636 -8.684
411 HD3 LYS 51 2HD LYS 51 2.734 -1.356 -9.912
412 HE2 LYS 51 1HE LYS 51 3.167 -1.425 -6.929
413 HE3 LYS 51 2HE LYS 51 3.620 -2.685 -8.075
414 HZ1 LYS 51 3HZ LYS 51 5.549 -1.421 -7.623
415 HZ2 LYS 51 1HZ LYS 51 4.746 0.051 -7.877
416 HZ3 LYS 51 2HZ LYS 51 5.052 -0.982 -9.180
417 H THR 52 H THR 52 -0.666 3.701 -7.373
418 HA THR 52 HA THR 52 -1.186 3.660 -4.509
419 HB THR 52 HB THR 52 -2.613 5.221 -6.676
420 HG1 THR 52 HG1 THR 52 -0.676 6.288 -4.893
421 HG21 THR 52 3HG2 THR 52 -2.508 5.589 -3.680
422 HG22 THR 52 1HG2 THR 52 -3.893 5.008 -4.604
423 HG23 THR 52 2HG2 THR 52 -3.319 6.663 -4.820
424 H PHE 53 H PHE 53 -2.304 1.929 -3.833
425 HA PHE 53 HA PHE 53 -4.481 0.890 -5.520
426 HB2 PHE 53 1HB PHE 53 -2.987 -0.424 -3.241
427 HB3 PHE 53 2HB PHE 53 -4.323 -1.158 -4.121
428 HD1 PHE 53 HD1 PHE 53 -3.944 -1.025 -6.801
429 HD2 PHE 53 HD2 PHE 53 -0.895 -1.122 -3.833
430 HE1 PHE 53 HE1 PHE 53 -2.366 -1.930 -8.458
431 HE2 PHE 53 HE2 PHE 53 0.688 -2.024 -5.485
432 HZ PHE 53 HZ PHE 53 -0.046 -2.430 -7.800
433 H ARG 54 H ARG 54 -6.484 0.299 -4.532
434 HA ARG 54 HA ARG 54 -7.386 2.339 -2.739
435 HB2 ARG 54 1HB ARG 54 -8.753 1.525 -4.633
436 HB3 ARG 54 2HB ARG 54 -8.888 -0.041 -3.843
437 HG2 ARG 54 1HG ARG 54 -10.009 1.053 -1.938
438 HG3 ARG 54 2HG ARG 54 -9.943 2.583 -2.812
439 HD2 ARG 54 1HD ARG 54 -12.115 1.655 -3.124
440 HD3 ARG 54 2HD ARG 54 -11.240 1.509 -4.646
441 HE ARG 54 HE ARG 54 -11.244 -0.796 -4.425
442 HH11 ARG 54 1HH1 ARG 54 -12.391 0.691 -1.473
443 HH12 ARG 54 2HH1 ARG 54 -13.126 -0.757 -0.856
444 HH21 ARG 54 1HH2 ARG 54 -12.235 -2.721 -3.632
445 HH22 ARG 54 2HH2 ARG 54 -13.051 -2.692 -2.098
446 H LEU 55 H LEU 55 -7.824 2.237 -0.629
447 HA LEU 55 HA LEU 55 -7.745 -0.393 0.693
448 HB2 LEU 55 1HB LEU 55 -6.616 2.239 1.649
449 HB3 LEU 55 2HB LEU 55 -6.798 0.829 2.675
450 HG LEU 55 HG LEU 55 -5.025 1.038 0.240
451 HD11 LEU 55 1HD1 LEU 55 -4.191 2.276 2.168
452 HD12 LEU 55 2HD1 LEU 55 -3.205 0.848 1.857
453 HD13 LEU 55 3HD1 LEU 55 -4.374 0.841 3.177
454 HD21 LEU 55 3HD2 LEU 55 -5.938 -1.210 0.479
455 HD22 LEU 55 1HD2 LEU 55 -5.429 -1.245 2.168
456 HD23 LEU 55 2HD2 LEU 55 -4.221 -1.181 0.884
457 H GLN 56 H GLN 56 -8.838 -0.354 2.848
458 HA GLN 56 HA GLN 56 -11.314 1.168 2.786
459 HB2 GLN 56 1HB GLN 56 -10.270 -0.728 4.905
460 HB3 GLN 56 2HB GLN 56 -11.906 -0.101 4.788
461 HG2 GLN 56 1HG GLN 56 -12.281 -1.342 2.759
462 HG3 GLN 56 2HG GLN 56 -10.604 -1.891 2.749
463 HE21 GLN 56 2HE2 GLN 56 -13.036 -3.474 2.807
464 HE22 GLN 56 1HE2 GLN 56 -12.959 -4.431 4.249
465 H ALA 57 H ALA 57 -11.968 2.248 4.934
466 HA ALA 57 HA ALA 57 -9.975 4.154 5.685
467 HB1 ALA 57 3HB ALA 57 -12.353 4.736 5.669
468 HB2 ALA 57 1HB ALA 57 -11.650 4.983 7.267
469 HB3 ALA 57 2HB ALA 57 -12.652 3.566 6.954
470 H GLN 58 H GLN 58 -11.331 1.232 7.062
471 HA GLN 58 HA GLN 58 -9.916 1.373 9.531
472 HB2 GLN 58 1HB GLN 58 -11.094 -1.045 8.145
473 HB3 GLN 58 2HB GLN 58 -10.629 -0.944 9.839
474 HG2 GLN 58 1HG GLN 58 -12.329 0.784 10.195
475 HG3 GLN 58 2HG GLN 58 -12.805 0.653 8.504
476 HE21 GLN 58 2HE2 GLN 58 -14.386 0.226 10.890
477 HE22 GLN 58 1HE2 GLN 58 -14.985 -1.397 10.800
478 H GLN 59 H GLN 59 -9.266 -0.076 6.381
479 HA GLN 59 HA GLN 59 -6.883 -1.420 7.148
480 HB2 GLN 59 1HB GLN 59 -7.915 -0.496 4.470
481 HB3 GLN 59 2HB GLN 59 -6.381 -1.335 4.652
482 HG2 GLN 59 1HG GLN 59 -7.548 -3.251 5.620
483 HG3 GLN 59 2HG GLN 59 -9.085 -2.408 5.422
484 HE21 GLN 59 2HE2 GLN 59 -8.163 -4.939 4.293
485 HE22 GLN 59 1HE2 GLN 59 -8.297 -4.772 2.579
486 H TYR 60 H TYR 60 -7.618 1.813 6.020
487 HA TYR 60 HA TYR 60 -4.987 2.739 5.663
488 HB2 TYR 60 1HB TYR 60 -6.917 3.981 4.846
489 HB3 TYR 60 2HB TYR 60 -7.494 4.220 6.491
490 HD1 TYR 60 HD1 TYR 60 -4.265 4.775 4.666
491 HD2 TYR 60 HD2 TYR 60 -7.250 6.363 7.250
492 HE1 TYR 60 HE1 TYR 60 -3.032 6.900 4.777
493 HE2 TYR 60 HE2 TYR 60 -6.024 8.488 7.371
494 HH TYR 60 HH TYR 60 -3.837 9.378 7.038
495 H HIS 61 H HIS 61 -7.042 2.461 8.507
496 HA HIS 61 HA HIS 61 -5.326 3.773 10.330
497 HB2 HIS 61 1HB HIS 61 -7.675 3.301 10.856
498 HB3 HIS 61 2HB HIS 61 -7.352 1.572 10.820
499 HD1 HIS 61 HD1 HIS 61 -7.731 0.910 13.204
500 HD2 HIS 61 HD2 HIS 61 -5.300 4.273 12.868
501 HE1 HIS 61 HE1 HIS 61 -6.909 1.391 15.528
502 HE2 HIS 61 HE2 HIS 61 -5.583 3.521 15.331
503 H ALA 62 H ALA 62 -5.212 0.668 8.835
504 HA ALA 62 HA ALA 62 -3.192 -0.295 10.730
505 HB1 ALA 62 3HB ALA 62 -4.583 -1.751 8.482
506 HB2 ALA 62 1HB ALA 62 -5.024 -1.825 10.187
507 HB3 ALA 62 2HB ALA 62 -3.471 -2.466 9.650
508 H LEU 63 H LEU 63 -3.053 1.728 8.341
509 HA LEU 63 HA LEU 63 -0.806 0.490 6.911
510 HB2 LEU 63 1HB LEU 63 -2.626 1.445 5.549
511 HB3 LEU 63 2HB LEU 63 -2.357 3.008 6.297
512 HG LEU 63 HG LEU 63 0.002 2.901 5.357
513 HD11 LEU 63 1HD1 LEU 63 0.068 0.516 4.890
514 HD12 LEU 63 2HD1 LEU 63 0.333 1.454 3.421
515 HD13 LEU 63 3HD1 LEU 63 -1.234 0.698 3.715
516 HD21 LEU 63 3HD2 LEU 63 -1.730 4.334 4.434
517 HD22 LEU 63 1HD2 LEU 63 -2.319 2.999 3.443
518 HD23 LEU 63 2HD2 LEU 63 -0.712 3.666 3.157
519 H THR 64 H THR 64 1.216 1.514 6.831
520 HA THR 64 HA THR 64 1.564 3.722 8.749
521 HB THR 64 HB THR 64 3.806 1.817 8.244
522 HG1 THR 64 HG1 THR 64 1.407 1.251 9.614
523 HG21 THR 64 3HG2 THR 64 2.824 3.303 10.688
524 HG22 THR 64 1HG2 THR 64 4.143 3.811 9.634
525 HG23 THR 64 2HG2 THR 64 4.298 2.339 10.594
526 H VAL 65 H VAL 65 1.694 5.417 7.328
527 HA VAL 65 HA VAL 65 3.109 5.320 4.865
528 HB VAL 65 HB VAL 65 1.993 7.601 6.487
529 HG11 VAL 65 1HG1 VAL 65 3.445 7.809 3.848
530 HG12 VAL 65 2HG1 VAL 65 4.006 8.452 5.392
531 HG13 VAL 65 3HG1 VAL 65 2.553 9.109 4.638
532 HG21 VAL 65 3HG2 VAL 65 0.440 6.145 5.254
533 HG22 VAL 65 1HG2 VAL 65 1.310 6.506 3.762
534 HG23 VAL 65 2HG2 VAL 65 0.451 7.790 4.616
535 H GLY 66 H GLY 66 5.180 5.634 4.415
536 HA2 GLY 66 1HA GLY 66 7.339 6.521 4.682
537 HA3 GLY 66 2HA GLY 66 6.926 6.979 6.330
538 H ASP 67 H ASP 67 5.782 4.137 6.615
539 HA ASP 67 HA ASP 67 8.259 3.055 7.650
540 HB2 ASP 67 1HB ASP 67 6.039 2.922 8.876
541 HB3 ASP 67 2HB ASP 67 5.553 1.714 7.690
542 H GLN 68 H GLN 68 9.438 2.600 5.835
543 HA GLN 68 HA GLN 68 8.650 1.132 3.611
544 HB2 GLN 68 1HB GLN 68 11.361 0.979 4.945
545 HB3 GLN 68 2HB GLN 68 10.996 0.647 3.257
546 HG2 GLN 68 1HG GLN 68 10.326 3.018 2.990
547 HG3 GLN 68 2HG GLN 68 10.853 3.311 4.646
548 HE21 GLN 68 2HE2 GLN 68 11.826 4.462 2.163
549 HE22 GLN 68 1HE2 GLN 68 13.517 4.097 2.085
550 H GLY 69 H GLY 69 8.052 -0.931 3.337
551 HA2 GLY 69 1HA GLY 69 8.982 -3.020 5.090
552 HA3 GLY 69 2HA GLY 69 7.309 -2.563 5.368
553 H THR 70 H THR 70 7.020 -4.866 4.781
554 HA THR 70 HA THR 70 7.596 -5.540 2.006
555 HB THR 70 HB THR 70 6.470 -7.314 4.179
556 HG1 THR 70 HG1 THR 70 8.625 -7.906 4.564
557 HG21 THR 70 3HG2 THR 70 7.898 -7.955 1.592
558 HG22 THR 70 1HG2 THR 70 6.174 -8.170 1.899
559 HG23 THR 70 2HG2 THR 70 7.355 -9.132 2.789
560 H LEU 71 H LEU 71 6.105 -5.790 0.457
561 HA LEU 71 HA LEU 71 3.270 -5.574 1.225
562 HB2 LEU 71 1HB LEU 71 4.090 -3.623 -0.028
563 HB3 LEU 71 2HB LEU 71 4.634 -4.675 -1.319
564 HG LEU 71 HG LEU 71 2.262 -5.341 -1.707
565 HD11 LEU 71 1HD1 LEU 71 0.492 -3.957 -0.744
566 HD12 LEU 71 2HD1 LEU 71 1.687 -3.132 0.259
567 HD13 LEU 71 3HD1 LEU 71 1.370 -4.851 0.497
568 HD21 LEU 71 3HD2 LEU 71 1.618 -3.255 -2.813
569 HD22 LEU 71 1HD2 LEU 71 3.321 -3.628 -3.078
570 HD23 LEU 71 2HD2 LEU 71 2.861 -2.392 -1.907
571 H SER 72 H SER 72 2.229 -7.407 0.981
572 HA SER 72 HA SER 72 3.153 -9.393 -0.952
573 HB2 SER 72 1HB SER 72 1.326 -10.784 0.206
574 HB3 SER 72 2HB SER 72 2.753 -10.371 1.155
575 HG SER 72 HG SER 72 0.633 -8.576 1.250
576 H TYR 73 H TYR 73 2.368 -9.229 -2.935
577 HA TYR 73 HA TYR 73 -0.479 -8.617 -3.262
578 HB2 TYR 73 1HB TYR 73 0.103 -7.184 -5.239
579 HB3 TYR 73 2HB TYR 73 0.581 -6.510 -3.687
580 HD1 TYR 73 HD2 TYR 73 1.789 -7.977 -6.834
581 HD2 TYR 73 HD1 TYR 73 2.916 -6.254 -3.111
582 HE1 TYR 73 HE2 TYR 73 4.089 -7.707 -7.658
583 HE2 TYR 73 HE1 TYR 73 5.217 -5.976 -3.927
584 HH TYR 73 HH TYR 73 6.061 -6.366 -7.224
585 H LYS 74 H LYS 74 -1.439 -9.443 -5.116
586 HA LYS 74 HA LYS 74 0.195 -11.350 -6.655
587 HB2 LYS 74 1HB LYS 74 -2.723 -11.551 -5.879
588 HB3 LYS 74 2HB LYS 74 -1.931 -12.625 -7.024
589 HG2 LYS 74 1HG LYS 74 -0.425 -13.405 -5.288
590 HG3 LYS 74 2HG LYS 74 -1.156 -12.289 -4.134
591 HD2 LYS 74 1HD LYS 74 -3.295 -13.444 -4.359
592 HD3 LYS 74 2HD LYS 74 -2.583 -14.547 -5.539
593 HE2 LYS 74 1HE LYS 74 -1.043 -15.386 -3.858
594 HE3 LYS 74 2HE LYS 74 -1.675 -14.240 -2.678
595 HZ1 LYS 74 3HZ LYS 74 -3.234 -16.424 -3.958
596 HZ2 LYS 74 1HZ LYS 74 -3.816 -15.336 -2.792
597 HZ3 LYS 74 2HZ LYS 74 -2.606 -16.455 -2.383
598 H GLY 75 H GLY 75 0.707 -10.058 -8.337
599 HA2 GLY 75 1HA GLY 75 0.348 -8.996 -10.369
600 HA3 GLY 75 2HA GLY 75 -1.384 -9.215 -10.139
601 H THR 76 H THR 76 -2.485 -7.399 -9.853
602 HA THR 76 HA THR 76 -1.134 -5.138 -8.540
603 HB THR 76 HB THR 76 -2.983 -3.753 -9.557
604 HG1 THR 76 HG1 THR 76 -4.561 -4.948 -10.320
605 HG21 THR 76 3HG2 THR 76 -1.979 -3.693 -11.791
606 HG22 THR 76 1HG2 THR 76 -1.196 -5.244 -11.483
607 HG23 THR 76 2HG2 THR 76 -0.741 -3.825 -10.540
608 H ARG 77 H ARG 77 -2.900 -7.624 -7.680
609 HA ARG 77 HA ARG 77 -4.995 -6.241 -6.226
610 HB2 ARG 77 1HB ARG 77 -5.684 -8.300 -7.196
611 HB3 ARG 77 2HB ARG 77 -4.297 -9.157 -6.536
612 HG2 ARG 77 1HG ARG 77 -5.178 -9.094 -4.345
613 HG3 ARG 77 2HG ARG 77 -6.408 -7.911 -4.796
614 HD2 ARG 77 1HD ARG 77 -6.283 -10.656 -6.014
615 HD3 ARG 77 2HD ARG 77 -7.170 -10.323 -4.526
616 HE ARG 77 HE ARG 77 -8.444 -8.647 -5.888
617 HH11 ARG 77 1HH1 ARG 77 -6.868 -11.364 -7.436
618 HH12 ARG 77 2HH1 ARG 77 -8.023 -11.464 -8.731
619 HH21 ARG 77 1HH2 ARG 77 -9.973 -8.773 -7.584
620 HH22 ARG 77 2HH2 ARG 77 -9.783 -9.979 -8.827
621 H PHE 78 H PHE 78 -4.645 -5.386 -4.365
622 HA PHE 78 HA PHE 78 -2.374 -5.860 -2.734
623 HB2 PHE 78 1HB PHE 78 -3.504 -3.700 -2.767
624 HB3 PHE 78 2HB PHE 78 -4.993 -4.435 -2.195
625 HD1 PHE 78 HD1 PHE 78 -1.609 -3.376 -1.260
626 HD2 PHE 78 HD2 PHE 78 -5.317 -4.942 0.123
627 HE1 PHE 78 HE1 PHE 78 -0.955 -2.875 1.057
628 HE2 PHE 78 HE2 PHE 78 -4.667 -4.446 2.443
629 HZ PHE 78 HZ PHE 78 -2.484 -3.409 2.911
630 H VAL 79 H VAL 79 -2.090 -7.724 -1.653
631 HA VAL 79 HA VAL 79 -4.405 -9.149 -0.590
632 HB VAL 79 HB VAL 79 -1.475 -9.911 -0.497
633 HG11 VAL 79 1HG1 VAL 79 -2.774 -10.977 1.266
634 HG12 VAL 79 2HG1 VAL 79 -2.294 -12.156 0.044
635 HG13 VAL 79 3HG1 VAL 79 -3.947 -11.542 0.078
636 HG21 VAL 79 3HG2 VAL 79 -3.659 -10.816 -2.371
637 HG22 VAL 79 1HG2 VAL 79 -2.026 -11.478 -2.304
638 HG23 VAL 79 2HG2 VAL 79 -2.279 -9.801 -2.789
639 H GLY 80 H GLY 80 -1.498 -7.480 0.480
640 HA2 GLY 80 1HA GLY 80 -2.639 -6.434 2.791
641 HA3 GLY 80 2HA GLY 80 -1.832 -7.928 3.249
642 H PHE 81 H PHE 81 -1.231 -5.123 3.944
643 HA PHE 81 HA PHE 81 1.495 -4.983 2.858
644 HB2 PHE 81 1HB PHE 81 0.226 -2.931 2.488
645 HB3 PHE 81 2HB PHE 81 -0.166 -2.835 4.202
646 HD1 PHE 81 HD1 PHE 81 2.926 -3.245 2.137
647 HD2 PHE 81 HD2 PHE 81 0.991 -1.246 5.356
648 HE1 PHE 81 HE1 PHE 81 4.958 -1.915 2.526
649 HE2 PHE 81 HE2 PHE 81 3.016 0.091 5.750
650 HZ PHE 81 HZ PHE 81 5.008 -0.247 4.337
651 H VAL 82 H VAL 82 3.023 -5.725 4.121
652 HA VAL 82 HA VAL 82 2.494 -5.963 6.996
653 HB VAL 82 HB VAL 82 4.656 -7.322 5.374
654 HG11 VAL 82 1HG1 VAL 82 3.682 -7.799 8.189
655 HG12 VAL 82 2HG1 VAL 82 5.228 -7.089 7.724
656 HG13 VAL 82 3HG1 VAL 82 4.880 -8.776 7.339
657 HG21 VAL 82 3HG2 VAL 82 2.460 -8.083 4.651
658 HG22 VAL 82 1HG2 VAL 82 2.007 -8.411 6.324
659 HG23 VAL 82 2HG2 VAL 82 3.289 -9.351 5.558
660 H SER 83 H SER 83 3.039 -3.953 7.721
661 HA SER 83 HA SER 83 5.344 -2.509 7.009
662 HB2 SER 83 1HB SER 83 3.899 -2.415 9.668
663 HB3 SER 83 2HB SER 83 4.840 -1.128 8.917
664 HG SER 83 HG SER 83 2.787 -0.614 8.440
665 H ARG 84 H ARG 84 6.995 -1.929 8.871
666 HA ARG 84 HA ARG 84 8.433 -4.298 9.509
667 HB2 ARG 84 1HB ARG 84 8.765 -1.423 10.348
668 HB3 ARG 84 2HB ARG 84 9.840 -2.698 10.911
669 HG2 ARG 84 1HG ARG 84 10.515 -3.196 8.654
670 HG3 ARG 84 2HG ARG 84 9.345 -2.042 8.015
671 HD2 ARG 84 1HD ARG 84 11.655 -1.332 9.817
672 HD3 ARG 84 2HD ARG 84 11.668 -1.179 8.060
673 HE ARG 84 HE ARG 84 9.516 0.206 9.434
674 HH11 ARG 84 1HH1 ARG 84 12.699 0.424 7.980
675 HH12 ARG 84 2HH1 ARG 84 12.657 2.151 7.861
676 HH21 ARG 84 1HH2 ARG 84 9.449 2.450 9.249
677 HH22 ARG 84 2HH2 ARG 84 10.795 3.313 8.551
678 H THR 85 H THR 85 5.845 -2.725 11.016
679 HA THR 85 HA THR 85 6.227 -3.926 13.611
680 HB THR 85 HB THR 85 3.704 -3.237 13.760
681 HG1 THR 85 HG1 THR 85 3.277 -2.776 11.630
682 HG21 THR 85 3HG2 THR 85 5.520 -2.111 14.957
683 HG22 THR 85 1HG2 THR 85 4.349 -0.945 14.341
684 HG23 THR 85 2HG2 THR 85 5.890 -1.168 13.513
685 HA PRO 86 HA PRO 86 4.695 -7.947 12.698
686 HB2 PRO 86 1HB PRO 86 3.206 -7.842 15.259
687 HB3 PRO 86 2HB PRO 86 4.451 -8.976 14.724
688 HG2 PRO 86 1HG PRO 86 4.999 -7.117 16.551
689 HG3 PRO 86 2HG PRO 86 6.186 -7.551 15.307
690 HD2 PRO 86 1HD PRO 86 4.372 -5.171 15.447
691 HD3 PRO 86 2HD PRO 86 6.077 -5.261 14.953
692 H ASP 87 H ASP 87 2.922 -9.045 11.944
693 HA ASP 87 HA ASP 87 0.687 -7.507 11.114
694 HB2 ASP 87 1HB ASP 87 1.405 -9.280 9.683
695 HB3 ASP 87 2HB ASP 87 1.287 -10.463 10.980
696 H ASN 88 H ASN 88 -1.219 -7.215 11.990
697 HA ASN 88 HA ASN 88 -2.903 -7.144 13.493
698 HB2 ASN 88 1HB ASN 88 -3.168 -9.514 12.588
699 HB3 ASN 88 2HB ASN 88 -2.370 -10.059 14.061
700 HD21 ASN 88 2HD2 ASN 88 -4.615 -7.363 13.736
701 HD22 ASN 88 1HD2 ASN 88 -5.844 -8.038 14.747
702 H GLU 89 H GLU 89 -0.815 -6.030 14.540
703 HA GLU 89 HA GLU 89 0.127 -7.083 16.981
704 HB2 GLU 89 1HB GLU 89 1.283 -5.270 15.835
705 HB3 GLU 89 2HB GLU 89 -0.116 -4.225 16.024
706 HG2 GLU 89 1HG GLU 89 1.584 -3.616 17.608
707 HG3 GLU 89 2HG GLU 89 0.190 -4.281 18.457
708 H LEU 90 H LEU 90 -2.347 -4.642 16.313
709 HA LEU 90 HA LEU 90 -3.202 -4.555 19.047
710 HB2 LEU 90 1HB LEU 90 -4.433 -3.363 16.563
711 HB3 LEU 90 2HB LEU 90 -4.946 -3.021 18.205
712 HG LEU 90 HG LEU 90 -2.240 -2.361 17.038
713 HD11 LEU 90 1HD1 LEU 90 -4.573 -0.594 17.758
714 HD12 LEU 90 2HD1 LEU 90 -4.018 -0.971 16.128
715 HD13 LEU 90 3HD1 LEU 90 -2.988 -0.041 17.217
716 HD21 LEU 90 3HD2 LEU 90 -1.884 -1.135 19.129
717 HD22 LEU 90 1HD2 LEU 90 -2.105 -2.861 19.418
718 HD23 LEU 90 2HD2 LEU 90 -3.425 -1.736 19.741
719 H GLU 91 H GLU 91 -4.709 -5.724 19.996
720 HA GLU 91 HA GLU 91 -6.200 -7.676 18.438
721 HB2 GLU 91 1HB GLU 91 -5.033 -8.378 20.508
722 HB3 GLU 91 2HB GLU 91 -6.035 -7.270 21.435
723 HG2 GLU 91 1HG GLU 91 -8.032 -8.548 20.631
724 HG3 GLU 91 2HG GLU 91 -6.915 -9.728 19.948
725 H HIS 92 H HIS 92 -8.398 -7.680 18.214
726 HA HIS 92 HA HIS 92 -9.783 -5.237 19.024
727 HB2 HIS 92 1HB HIS 92 -10.565 -7.467 17.137
728 HB3 HIS 92 2HB HIS 92 -11.636 -6.138 17.566
729 HD1 HIS 92 HD1 HIS 92 -11.606 -4.289 15.916
730 HD2 HIS 92 HD2 HIS 92 -7.979 -6.329 16.029
731 HE1 HIS 92 HE1 HIS 92 -10.156 -3.202 14.171
732 HE2 HIS 92 HE2 HIS 92 -7.987 -4.489 14.212
733 H HIS 93 H HIS 93 -12.195 -5.656 19.682
734 HA HIS 93 HA HIS 93 -11.863 -7.168 22.141
735 HB2 HIS 93 1HB HIS 93 -12.761 -4.785 22.003
736 HB3 HIS 93 2HB HIS 93 -14.248 -5.489 21.377
737 HD1 HIS 93 HD1 HIS 93 -12.007 -5.988 24.425
738 HD2 HIS 93 HD2 HIS 93 -16.030 -6.004 23.348
739 HE1 HIS 93 HE1 HIS 93 -13.283 -6.381 26.557
740 HE2 HIS 93 HE2 HIS 93 -15.712 -6.310 25.903
741 H HIS 94 H HIS 94 -12.747 -8.133 19.220
742 HA HIS 94 HA HIS 94 -14.904 -9.872 20.222
743 HB2 HIS 94 1HB HIS 94 -14.138 -9.240 17.360
744 HB3 HIS 94 2HB HIS 94 -15.420 -10.344 17.845
745 HD1 HIS 94 HD1 HIS 94 -15.205 -7.207 16.463
746 HD2 HIS 94 HD2 HIS 94 -17.171 -8.628 19.842
747 HE1 HIS 94 HE1 HIS 94 -17.035 -5.545 16.934
748 HE2 HIS 94 HE2 HIS 94 -18.320 -6.522 18.871
749 H HIS 95 H HIS 95 -12.252 -10.085 17.843
750 HA HIS 95 HA HIS 95 -11.889 -12.904 18.503
751 HB2 HIS 95 1HB HIS 95 -10.436 -11.174 16.482
752 HB3 HIS 95 2HB HIS 95 -10.279 -12.918 16.640
753 HD1 HIS 95 HD1 HIS 95 -11.002 -12.361 13.958
754 HD2 HIS 95 HD2 HIS 95 -13.937 -12.317 16.906
755 HE1 HIS 95 HE1 HIS 95 -13.193 -12.607 12.742
756 HE2 HIS 95 HE2 HIS 95 -14.961 -12.407 14.533
757 H HIS 96 H HIS 96 -10.726 -13.291 20.301
758 HA HIS 96 HA HIS 96 -8.560 -11.436 20.984
759 HB2 HIS 96 1HB HIS 96 -9.926 -13.541 22.673
760 HB3 HIS 96 2HB HIS 96 -8.631 -12.486 23.228
761 HD1 HIS 96 HD1 HIS 96 -9.247 -9.841 23.197
762 HD2 HIS 96 HD2 HIS 96 -12.426 -12.521 22.969
763 HE1 HIS 96 HE1 HIS 96 -11.299 -8.522 23.823
764 HE2 HIS 96 HE2 HIS 96 -13.209 -10.168 23.714
765 H HIS 97 H HIS 97 -6.509 -12.155 21.542
766 HA HIS 97 HA HIS 97 -5.794 -14.805 20.487
767 HB2 HIS 97 1HB HIS 97 -4.550 -13.011 19.445
768 HB3 HIS 97 2HB HIS 97 -4.134 -12.325 21.009
769 HD1 HIS 97 HD1 HIS 97 -3.155 -15.004 18.597
770 HD2 HIS 97 HD2 HIS 97 -2.023 -13.610 22.353
771 HE1 HIS 97 HE1 HIS 97 -0.947 -16.108 19.103
772 HE2 HIS 97 HE2 HIS 97 -0.354 -15.356 21.439
Start of MODEL 8
1 H1 MET 1 1H MET 1 -0.303 -21.896 -10.058
2 H2 MET 1 2H MET 1 -1.522 -21.070 -10.897
3 H3 MET 1 3H MET 1 -1.933 -22.287 -9.793
4 HA MET 1 HA MET 1 -2.350 -20.157 -8.811
5 HB2 MET 1 1HB MET 1 0.130 -21.489 -7.696
6 HB3 MET 1 2HB MET 1 -0.845 -20.313 -6.830
7 HG2 MET 1 1HG MET 1 -2.754 -21.832 -6.914
8 HG3 MET 1 2HG MET 1 -1.771 -23.011 -7.781
9 HE1 MET 1 3HE MET 1 0.927 -23.940 -5.086
10 HE2 MET 1 1HE MET 1 1.046 -22.687 -6.321
11 HE3 MET 1 2HE MET 1 0.336 -24.252 -6.718
12 H ALA 2 H ALA 2 -1.906 -18.032 -8.773
13 HA ALA 2 HA ALA 2 0.401 -17.022 -10.161
14 HB1 ALA 2 3HB ALA 2 -1.694 -15.572 -8.534
15 HB2 ALA 2 1HB ALA 2 -1.742 -15.846 -10.276
16 HB3 ALA 2 2HB ALA 2 -0.495 -14.811 -9.580
17 HA PRO 3 HA PRO 3 3.017 -17.016 -6.609
18 HB2 PRO 3 1HB PRO 3 4.958 -15.354 -7.460
19 HB3 PRO 3 2HB PRO 3 4.788 -17.013 -8.045
20 HG2 PRO 3 1HG PRO 3 3.985 -14.451 -9.351
21 HG3 PRO 3 2HG PRO 3 4.668 -15.915 -10.081
22 HD2 PRO 3 1HD PRO 3 2.002 -15.259 -10.153
23 HD3 PRO 3 2HD PRO 3 2.618 -16.919 -10.264
24 H LEU 4 H LEU 4 3.116 -15.952 -4.781
25 HA LEU 4 HA LEU 4 2.057 -13.263 -4.594
26 HB2 LEU 4 1HB LEU 4 1.586 -15.076 -2.927
27 HB3 LEU 4 2HB LEU 4 3.269 -14.997 -2.450
28 HG LEU 4 HG LEU 4 2.839 -12.543 -1.920
29 HD11 LEU 4 1HD1 LEU 4 0.505 -12.001 -1.380
30 HD12 LEU 4 2HD1 LEU 4 -0.002 -13.539 -2.077
31 HD13 LEU 4 3HD1 LEU 4 0.734 -12.306 -3.100
32 HD21 LEU 4 3HD2 LEU 4 1.999 -13.128 0.284
33 HD22 LEU 4 1HD2 LEU 4 3.188 -14.304 -0.277
34 HD23 LEU 4 2HD2 LEU 4 1.470 -14.696 -0.328
35 H GLN 5 H GLN 5 3.487 -11.808 -5.415
36 HA GLN 5 HA GLN 5 6.309 -12.080 -4.870
37 HB2 GLN 5 1HB GLN 5 5.401 -11.190 -7.042
38 HB3 GLN 5 2HB GLN 5 4.887 -9.752 -6.167
39 HG2 GLN 5 1HG GLN 5 7.235 -9.364 -5.507
40 HG3 GLN 5 2HG GLN 5 7.709 -10.743 -6.497
41 HE21 GLN 5 2HE2 GLN 5 8.523 -7.992 -6.743
42 HE22 GLN 5 1HE2 GLN 5 8.056 -7.482 -8.327
43 H GLN 6 H GLN 6 7.053 -11.553 -2.949
44 HA GLN 6 HA GLN 6 5.768 -9.381 -1.467
45 HB2 GLN 6 1HB GLN 6 7.660 -11.570 -0.646
46 HB3 GLN 6 2HB GLN 6 7.333 -10.188 0.391
47 HG2 GLN 6 1HG GLN 6 4.872 -10.805 0.136
48 HG3 GLN 6 2HG GLN 6 5.457 -12.341 -0.505
49 HE21 GLN 6 2HE2 GLN 6 3.980 -11.665 1.957
50 HE22 GLN 6 1HE2 GLN 6 4.934 -12.289 3.265
51 H LYS 7 H LYS 7 6.540 -7.469 -1.898
52 HA LYS 7 HA LYS 7 9.464 -7.131 -1.938
53 HB2 LYS 7 1HB LYS 7 8.309 -6.918 -4.224
54 HB3 LYS 7 2HB LYS 7 7.569 -5.458 -3.585
55 HG2 LYS 7 1HG LYS 7 9.891 -4.613 -3.117
56 HG3 LYS 7 2HG LYS 7 10.489 -5.991 -4.045
57 HD2 LYS 7 1HD LYS 7 8.943 -5.181 -5.910
58 HD3 LYS 7 2HD LYS 7 8.811 -3.684 -4.982
59 HE2 LYS 7 1HE LYS 7 10.526 -3.420 -6.642
60 HE3 LYS 7 2HE LYS 7 11.274 -3.477 -5.046
61 HZ1 LYS 7 3HZ LYS 7 11.726 -5.869 -5.470
62 HZ2 LYS 7 1HZ LYS 7 12.547 -4.825 -6.521
63 HZ3 LYS 7 2HZ LYS 7 11.174 -5.663 -7.057
64 H GLN 8 H GLN 8 10.180 -5.554 -0.576
65 HA GLN 8 HA GLN 8 8.260 -4.215 1.074
66 HB2 GLN 8 1HB GLN 8 11.250 -4.238 0.931
67 HB3 GLN 8 2HB GLN 8 10.433 -2.987 1.862
68 HG2 GLN 8 1HG GLN 8 9.292 -4.723 3.165
69 HG3 GLN 8 2HG GLN 8 10.158 -5.958 2.254
70 HE21 GLN 8 2HE2 GLN 8 10.127 -5.220 5.133
71 HE22 GLN 8 1HE2 GLN 8 11.792 -4.983 5.554
72 H VAL 9 H VAL 9 7.447 -2.268 0.894
73 HA VAL 9 HA VAL 9 8.516 -0.492 -1.194
74 HB VAL 9 HB VAL 9 6.161 0.237 -1.636
75 HG11 VAL 9 1HG1 VAL 9 7.291 -1.294 -3.154
76 HG12 VAL 9 2HG1 VAL 9 5.576 -1.690 -3.036
77 HG13 VAL 9 3HG1 VAL 9 6.769 -2.668 -2.179
78 HG21 VAL 9 3HG2 VAL 9 4.334 -1.258 -0.965
79 HG22 VAL 9 1HG2 VAL 9 5.134 -0.531 0.429
80 HG23 VAL 9 2HG2 VAL 9 5.471 -2.206 -0.006
81 H VAL 10 H VAL 10 7.809 1.755 -0.929
82 HA VAL 10 HA VAL 10 7.762 2.517 1.906
83 HB VAL 10 HB VAL 10 8.236 4.266 -0.512
84 HG11 VAL 10 1HG1 VAL 10 8.720 4.748 2.426
85 HG12 VAL 10 2HG1 VAL 10 7.476 5.504 1.432
86 HG13 VAL 10 3HG1 VAL 10 9.179 5.844 1.124
87 HG21 VAL 10 3HG2 VAL 10 10.612 4.162 0.048
88 HG22 VAL 10 1HG2 VAL 10 9.975 2.566 -0.349
89 HG23 VAL 10 2HG2 VAL 10 10.260 3.008 1.335
90 H VAL 11 H VAL 11 5.838 3.057 2.747
91 HA VAL 11 HA VAL 11 3.588 3.786 1.151
92 HB VAL 11 HB VAL 11 3.957 4.288 4.112
93 HG11 VAL 11 1HG1 VAL 11 2.069 5.466 3.132
94 HG12 VAL 11 2HG1 VAL 11 1.507 4.160 4.176
95 HG13 VAL 11 3HG1 VAL 11 1.479 3.962 2.424
96 HG21 VAL 11 3HG2 VAL 11 2.861 2.123 4.467
97 HG22 VAL 11 1HG2 VAL 11 4.398 1.942 3.620
98 HG23 VAL 11 2HG2 VAL 11 2.880 1.833 2.726
99 H SER 12 H SER 12 3.917 5.535 -0.078
100 HA SER 12 HA SER 12 5.570 7.709 0.726
101 HB2 SER 12 1HB SER 12 5.507 7.078 -1.595
102 HB3 SER 12 2HB SER 12 3.761 7.305 -1.663
103 HG SER 12 HG SER 12 5.796 9.264 -1.450
104 H ASN 13 H ASN 13 2.083 7.533 -0.004
105 HA ASN 13 HA ASN 13 1.340 9.280 2.092
106 HB2 ASN 13 1HB ASN 13 0.684 11.247 0.819
107 HB3 ASN 13 2HB ASN 13 2.407 10.966 0.617
108 HD21 ASN 13 2HD2 ASN 13 0.510 12.452 -1.044
109 HD22 ASN 13 1HD2 ASN 13 0.629 11.754 -2.630
110 H LYS 14 H LYS 14 -1.002 10.226 1.432
111 HA LYS 14 HA LYS 14 -2.469 7.943 0.336
112 HB2 LYS 14 1HB LYS 14 -4.422 8.797 1.434
113 HB3 LYS 14 2HB LYS 14 -3.108 8.829 2.600
114 HG2 LYS 14 1HG LYS 14 -2.849 11.204 2.321
115 HG3 LYS 14 2HG LYS 14 -4.040 11.216 1.019
116 HD2 LYS 14 1HD LYS 14 -5.725 10.367 2.661
117 HD3 LYS 14 2HD LYS 14 -4.519 10.589 3.930
118 HE2 LYS 14 1HE LYS 14 -5.590 12.753 2.122
119 HE3 LYS 14 2HE LYS 14 -6.077 12.483 3.793
120 HZ1 LYS 14 3HZ LYS 14 -4.465 14.239 3.684
121 HZ2 LYS 14 1HZ LYS 14 -3.364 13.254 2.852
122 HZ3 LYS 14 2HZ LYS 14 -3.767 12.904 4.462
123 H ARG 15 H ARG 15 -3.786 8.152 -1.428
124 HA ARG 15 HA ARG 15 -3.862 10.795 -2.718
125 HB2 ARG 15 1HB ARG 15 -3.492 8.118 -4.086
126 HB3 ARG 15 2HB ARG 15 -3.765 9.640 -4.923
127 HG2 ARG 15 1HG ARG 15 -1.683 10.524 -3.930
128 HG3 ARG 15 2HG ARG 15 -1.399 8.951 -3.187
129 HD2 ARG 15 1HD ARG 15 -1.402 7.944 -5.460
130 HD3 ARG 15 2HD ARG 15 -1.532 9.567 -6.136
131 HE ARG 15 HE ARG 15 0.685 9.350 -4.360
132 HH11 ARG 15 1HH1 ARG 15 -0.359 8.601 -7.616
133 HH12 ARG 15 2HH1 ARG 15 1.255 8.570 -8.265
134 HH21 ARG 15 1HH2 ARG 15 2.824 9.265 -5.204
135 HH22 ARG 15 2HH2 ARG 15 3.058 8.898 -6.885
136 H GLU 16 H GLU 16 -5.701 10.808 -4.442
137 HA GLU 16 HA GLU 16 -7.976 9.205 -3.574
138 HB2 GLU 16 1HB GLU 16 -7.883 11.206 -2.086
139 HB3 GLU 16 2HB GLU 16 -8.048 12.226 -3.508
140 HG2 GLU 16 1HG GLU 16 -10.229 11.187 -3.968
141 HG3 GLU 16 2HG GLU 16 -10.062 10.233 -2.493
142 H LYS 17 H LYS 17 -8.377 8.340 -5.551
143 HA LYS 17 HA LYS 17 -8.986 10.246 -7.714
144 HB2 LYS 17 1HB LYS 17 -8.499 7.272 -7.913
145 HB3 LYS 17 2HB LYS 17 -8.813 8.359 -9.257
146 HG2 LYS 17 1HG LYS 17 -6.736 9.535 -8.806
147 HG3 LYS 17 2HG LYS 17 -6.420 8.456 -7.442
148 HD2 LYS 17 1HD LYS 17 -6.676 6.562 -9.175
149 HD3 LYS 17 2HD LYS 17 -6.441 7.837 -10.374
150 HE2 LYS 17 1HE LYS 17 -4.335 6.744 -9.829
151 HE3 LYS 17 2HE LYS 17 -4.324 8.435 -9.325
152 HZ1 LYS 17 3HZ LYS 17 -4.864 7.701 -7.065
153 HZ2 LYS 17 1HZ LYS 17 -3.395 7.051 -7.609
154 HZ3 LYS 17 2HZ LYS 17 -4.790 6.089 -7.564
155 HA PRO 18 HA PRO 18 -13.245 8.833 -6.954
156 HB2 PRO 18 1HB PRO 18 -13.948 11.339 -8.270
157 HB3 PRO 18 2HB PRO 18 -14.354 10.794 -6.641
158 HG2 PRO 18 1HG PRO 18 -12.632 12.838 -7.125
159 HG3 PRO 18 2HG PRO 18 -12.504 11.781 -5.707
160 HD2 PRO 18 1HD PRO 18 -10.949 11.713 -8.268
161 HD3 PRO 18 2HD PRO 18 -10.383 11.478 -6.600
162 H VAL 19 H VAL 19 -13.447 7.276 -8.479
163 HA VAL 19 HA VAL 19 -12.904 7.928 -11.275
164 HB VAL 19 HB VAL 19 -13.453 5.221 -10.044
165 HG11 VAL 19 1HG1 VAL 19 -12.462 4.343 -12.107
166 HG12 VAL 19 2HG1 VAL 19 -12.305 5.988 -12.726
167 HG13 VAL 19 3HG1 VAL 19 -13.904 5.304 -12.434
168 HG21 VAL 19 3HG2 VAL 19 -10.816 6.534 -10.700
169 HG22 VAL 19 1HG2 VAL 19 -11.027 4.862 -10.178
170 HG23 VAL 19 2HG2 VAL 19 -11.437 6.185 -9.086
171 H ASN 20 H ASN 20 -14.498 8.429 -12.584
172 HA ASN 20 HA ASN 20 -17.232 8.205 -11.810
173 HB2 ASN 20 1HB ASN 20 -16.009 8.943 -14.479
174 HB3 ASN 20 2HB ASN 20 -17.709 9.127 -14.061
175 HD21 ASN 20 2HD2 ASN 20 -15.769 11.138 -14.860
176 HD22 ASN 20 1HD2 ASN 20 -15.714 12.291 -13.567
177 H ASP 21 H ASP 21 -18.897 7.085 -12.988
178 HA ASP 21 HA ASP 21 -17.963 4.637 -14.323
179 HB2 ASP 21 1HB ASP 21 -18.573 4.092 -12.015
180 HB3 ASP 21 2HB ASP 21 -20.143 4.856 -12.232
181 H ARG 22 H ARG 22 -19.415 3.769 -15.898
182 HA ARG 22 HA ARG 22 -20.769 5.916 -17.275
183 HB2 ARG 22 1HB ARG 22 -20.564 3.036 -18.151
184 HB3 ARG 22 2HB ARG 22 -20.909 4.436 -19.158
185 HG2 ARG 22 1HG ARG 22 -18.560 5.232 -18.292
186 HG3 ARG 22 2HG ARG 22 -18.325 3.507 -18.015
187 HD2 ARG 22 1HD ARG 22 -18.909 4.913 -20.609
188 HD3 ARG 22 2HD ARG 22 -17.479 3.978 -20.179
189 HE ARG 22 HE ARG 22 -20.151 2.799 -20.607
190 HH11 ARG 22 1HH1 ARG 22 -16.652 2.604 -20.742
191 HH12 ARG 22 2HH1 ARG 22 -16.648 1.123 -21.656
192 HH21 ARG 22 1HH2 ARG 22 -20.153 0.862 -21.806
193 HH22 ARG 22 2HH2 ARG 22 -18.640 0.126 -22.257
194 H ARG 23 H ARG 23 -21.703 3.678 -15.000
195 HA ARG 23 HA ARG 23 -24.442 3.393 -15.894
196 HB2 ARG 23 1HB ARG 23 -23.187 2.814 -13.201
197 HB3 ARG 23 2HB ARG 23 -24.813 2.355 -13.691
198 HG2 ARG 23 1HG ARG 23 -23.969 0.838 -15.326
199 HG3 ARG 23 2HG ARG 23 -22.318 1.416 -15.084
200 HD2 ARG 23 1HD ARG 23 -22.427 0.609 -12.748
201 HD3 ARG 23 2HD ARG 23 -24.025 -0.056 -13.082
202 HE ARG 23 HE ARG 23 -23.054 -1.750 -14.330
203 HH11 ARG 23 1HH1 ARG 23 -20.628 0.598 -13.371
204 HH12 ARG 23 2HH1 ARG 23 -19.298 -0.453 -13.749
205 HH21 ARG 23 1HH2 ARG 23 -21.290 -3.110 -14.840
206 HH22 ARG 23 2HH2 ARG 23 -19.665 -2.543 -14.578
207 H SER 24 H SER 24 -22.536 5.669 -14.266
208 HA SER 24 HA SER 24 -24.786 7.011 -13.003
209 HB2 SER 24 1HB SER 24 -21.834 7.697 -13.089
210 HB3 SER 24 2HB SER 24 -23.053 8.566 -12.154
211 HG SER 24 HG SER 24 -23.444 6.650 -10.991
212 H ARG 25 H ARG 25 -25.039 9.377 -13.426
213 HA ARG 25 HA ARG 25 -25.182 9.706 -16.311
214 HB2 ARG 25 1HB ARG 25 -26.504 11.031 -13.977
215 HB3 ARG 25 2HB ARG 25 -26.502 11.818 -15.549
216 HG2 ARG 25 1HG ARG 25 -27.600 9.869 -16.525
217 HG3 ARG 25 2HG ARG 25 -27.611 9.089 -14.940
218 HD2 ARG 25 1HD ARG 25 -29.110 10.657 -14.058
219 HD3 ARG 25 2HD ARG 25 -28.835 11.790 -15.379
220 HE ARG 25 HE ARG 25 -29.895 9.453 -16.473
221 HH11 ARG 25 1HH1 ARG 25 -30.871 11.931 -14.208
222 HH12 ARG 25 2HH1 ARG 25 -32.532 11.922 -14.708
223 HH21 ARG 25 1HH2 ARG 25 -32.084 9.440 -17.155
224 HH22 ARG 25 2HH2 ARG 25 -33.228 10.494 -16.372
225 H GLN 26 H GLN 26 -24.771 11.786 -17.281
226 HA GLN 26 HA GLN 26 -22.407 13.125 -16.213
227 HB2 GLN 26 1HB GLN 26 -22.447 12.509 -18.602
228 HB3 GLN 26 2HB GLN 26 -23.902 13.465 -18.829
229 HG2 GLN 26 1HG GLN 26 -22.648 15.490 -18.253
230 HG3 GLN 26 2HG GLN 26 -21.188 14.518 -18.067
231 HE21 GLN 26 2HE2 GLN 26 -21.815 16.723 -19.903
232 HE22 GLN 26 1HE2 GLN 26 -21.548 16.095 -21.498
233 H GLN 27 H GLN 27 -25.766 13.660 -17.080
234 HA GLN 27 HA GLN 27 -25.818 16.308 -15.883
235 HB2 GLN 27 1HB GLN 27 -28.116 14.583 -16.843
236 HB3 GLN 27 2HB GLN 27 -28.183 16.298 -16.468
237 HG2 GLN 27 1HG GLN 27 -26.579 15.066 -18.696
238 HG3 GLN 27 2HG GLN 27 -28.143 15.860 -18.876
239 HE21 GLN 27 2HE2 GLN 27 -25.537 16.496 -20.043
240 HE22 GLN 27 1HE2 GLN 27 -25.209 18.141 -19.583
241 H GLU 28 H GLU 28 -25.460 16.163 -13.732
242 HA GLU 28 HA GLU 28 -25.665 15.622 -11.548
243 HB2 GLU 28 1HB GLU 28 -28.013 16.181 -11.754
244 HB3 GLU 28 2HB GLU 28 -28.373 14.600 -12.429
245 HG2 GLU 28 1HG GLU 28 -29.033 14.887 -10.054
246 HG3 GLU 28 2HG GLU 28 -27.951 13.529 -10.351
247 H VAL 29 H VAL 29 -24.025 14.218 -11.373
248 HA VAL 29 HA VAL 29 -23.857 11.686 -12.540
249 HB VAL 29 HB VAL 29 -22.421 12.632 -10.052
250 HG11 VAL 29 1HG1 VAL 29 -20.673 11.057 -10.732
251 HG12 VAL 29 2HG1 VAL 29 -21.680 10.526 -12.080
252 HG13 VAL 29 3HG1 VAL 29 -22.203 10.237 -10.421
253 HG21 VAL 29 3HG2 VAL 29 -20.642 13.362 -11.578
254 HG22 VAL 29 1HG2 VAL 29 -22.148 14.239 -11.853
255 HG23 VAL 29 2HG2 VAL 29 -21.665 12.949 -12.955
256 H SER 30 H SER 30 -25.184 12.741 -9.491
257 HA SER 30 HA SER 30 -26.347 11.714 -7.849
258 HB2 SER 30 1HB SER 30 -26.692 9.421 -9.795
259 HB3 SER 30 2HB SER 30 -27.717 9.807 -8.411
260 HG SER 30 HG SER 30 -27.306 11.541 -10.630
261 HA PRO 31 HA PRO 31 -22.515 9.729 -6.485
262 HB2 PRO 31 1HB PRO 31 -23.673 10.363 -3.837
263 HB3 PRO 31 2HB PRO 31 -22.091 10.778 -4.504
264 HG2 PRO 31 1HG PRO 31 -23.998 12.626 -4.229
265 HG3 PRO 31 2HG PRO 31 -22.902 12.635 -5.625
266 HD2 PRO 31 1HD PRO 31 -25.741 11.701 -5.445
267 HD3 PRO 31 2HD PRO 31 -24.932 12.605 -6.742
268 H ALA 32 H ALA 32 -22.951 7.610 -6.997
269 HA ALA 32 HA ALA 32 -24.577 6.050 -5.128
270 HB1 ALA 32 3HB ALA 32 -24.966 5.678 -7.513
271 HB2 ALA 32 1HB ALA 32 -24.334 4.224 -6.740
272 HB3 ALA 32 2HB ALA 32 -23.273 5.231 -7.725
273 H GLY 33 H GLY 33 -21.516 7.134 -5.371
274 HA2 GLY 33 1HA GLY 33 -20.492 4.960 -3.691
275 HA3 GLY 33 2HA GLY 33 -19.543 5.486 -5.076
276 H THR 34 H THR 34 -21.343 7.033 -2.437
277 HA THR 34 HA THR 34 -19.644 9.311 -2.375
278 HB THR 34 HB THR 34 -21.565 8.417 -0.218
279 HG1 THR 34 HG1 THR 34 -23.188 9.119 -1.468
280 HG21 THR 34 3HG2 THR 34 -21.822 10.834 0.162
281 HG22 THR 34 1HG2 THR 34 -20.630 11.158 -1.098
282 HG23 THR 34 2HG2 THR 34 -20.148 10.326 0.380
283 H SER 35 H SER 35 -19.461 6.193 -0.975
284 HA SER 35 HA SER 35 -17.823 6.811 1.258
285 HB2 SER 35 1HB SER 35 -17.199 4.358 1.093
286 HB3 SER 35 2HB SER 35 -18.927 4.685 1.224
287 HG SER 35 HG SER 35 -17.513 4.183 -1.193
288 H MET 36 H MET 36 -16.193 8.190 0.657
289 HA MET 36 HA MET 36 -14.485 7.670 -1.574
290 HB2 MET 36 1HB MET 36 -14.322 9.632 0.711
291 HB3 MET 36 2HB MET 36 -13.101 9.535 -0.550
292 HG2 MET 36 1HG MET 36 -14.730 10.098 -2.233
293 HG3 MET 36 2HG MET 36 -16.021 10.076 -1.034
294 HE1 MET 36 3HE MET 36 -16.430 11.923 0.757
295 HE2 MET 36 1HE MET 36 -15.269 13.194 1.143
296 HE3 MET 36 2HE MET 36 -14.867 11.506 1.458
297 H ARG 37 H ARG 37 -13.497 5.746 -1.397
298 HA ARG 37 HA ARG 37 -12.087 4.970 0.996
299 HB2 ARG 37 1HB ARG 37 -12.166 3.716 -1.758
300 HB3 ARG 37 2HB ARG 37 -11.445 2.986 -0.330
301 HG2 ARG 37 1HG ARG 37 -13.533 2.705 0.715
302 HG3 ARG 37 2HG ARG 37 -14.337 3.786 -0.423
303 HD2 ARG 37 1HD ARG 37 -13.908 2.168 -2.227
304 HD3 ARG 37 2HD ARG 37 -13.162 1.082 -1.056
305 HE ARG 37 HE ARG 37 -15.322 0.823 -0.010
306 HH11 ARG 37 1HH1 ARG 37 -15.381 2.521 -3.079
307 HH12 ARG 37 2HH1 ARG 37 -17.019 2.050 -3.449
308 HH21 ARG 37 1HH2 ARG 37 -17.483 0.213 -0.502
309 HH22 ARG 37 2HH2 ARG 37 -18.196 0.740 -1.996
310 H TYR 38 H TYR 38 -10.273 5.979 1.468
311 HA TYR 38 HA TYR 38 -8.773 7.512 -0.366
312 HB2 TYR 38 1HB TYR 38 -7.770 6.525 2.304
313 HB3 TYR 38 2HB TYR 38 -7.332 8.008 1.462
314 HD1 TYR 38 HD2 TYR 38 -9.148 9.800 1.196
315 HD2 TYR 38 HD1 TYR 38 -9.499 6.509 3.869
316 HE1 TYR 38 HE2 TYR 38 -10.884 11.011 2.453
317 HE2 TYR 38 HE1 TYR 38 -11.234 7.706 5.129
318 HH TYR 38 HH TYR 38 -11.930 10.053 5.515
319 H GLU 39 H GLU 39 -6.678 7.176 -1.168
320 HA GLU 39 HA GLU 39 -5.982 4.345 -1.490
321 HB2 GLU 39 1HB GLU 39 -5.098 6.734 -3.118
322 HB3 GLU 39 2HB GLU 39 -4.714 5.057 -3.457
323 HG2 GLU 39 1HG GLU 39 -7.080 4.604 -3.870
324 HG3 GLU 39 2HG GLU 39 -7.452 6.298 -3.541
325 H ALA 40 H ALA 40 -3.777 3.719 -1.360
326 HA ALA 40 HA ALA 40 -2.029 5.643 0.033
327 HB1 ALA 40 3HB ALA 40 -2.064 2.640 0.327
328 HB2 ALA 40 1HB ALA 40 -2.668 3.802 1.508
329 HB3 ALA 40 2HB ALA 40 -0.946 3.745 1.129
330 H SER 41 H SER 41 0.016 5.911 -0.758
331 HA SER 41 HA SER 41 0.512 4.718 -3.374
332 HB2 SER 41 1HB SER 41 2.192 6.804 -1.986
333 HB3 SER 41 2HB SER 41 2.074 6.472 -3.716
334 HG SER 41 HG SER 41 0.731 8.254 -2.396
335 H PHE 42 H PHE 42 1.635 2.898 -3.467
336 HA PHE 42 HA PHE 42 3.660 2.362 -1.405
337 HB2 PHE 42 1HB PHE 42 2.390 0.483 -3.419
338 HB3 PHE 42 2HB PHE 42 3.552 0.022 -2.179
339 HD1 PHE 42 HD2 PHE 42 2.901 0.200 0.227
340 HD2 PHE 42 HD1 PHE 42 0.095 0.672 -2.936
341 HE1 PHE 42 HE2 PHE 42 1.058 -0.191 1.809
342 HE2 PHE 42 HE1 PHE 42 -1.754 0.284 -1.361
343 HZ PHE 42 HZ PHE 42 -1.274 -0.151 1.016
344 H LYS 43 H LYS 43 5.545 3.104 -1.954
345 HA LYS 43 HA LYS 43 6.291 3.323 -4.767
346 HB2 LYS 43 1HB LYS 43 6.431 5.269 -3.194
347 HB3 LYS 43 2HB LYS 43 7.676 4.404 -2.309
348 HG2 LYS 43 1HG LYS 43 9.131 4.456 -4.234
349 HG3 LYS 43 2HG LYS 43 7.868 5.229 -5.195
350 HD2 LYS 43 1HD LYS 43 7.878 7.078 -3.461
351 HD3 LYS 43 2HD LYS 43 9.359 6.352 -2.836
352 HE2 LYS 43 1HE LYS 43 9.811 8.195 -4.394
353 HE3 LYS 43 2HE LYS 43 10.446 6.657 -4.977
354 HZ1 LYS 43 3HZ LYS 43 7.784 7.632 -5.811
355 HZ2 LYS 43 1HZ LYS 43 8.776 6.485 -6.569
356 HZ3 LYS 43 2HZ LYS 43 9.191 8.129 -6.621
357 HA PRO 44 HA PRO 44 8.743 -0.410 -4.203
358 HB2 PRO 44 1HB PRO 44 9.663 0.256 -6.924
359 HB3 PRO 44 2HB PRO 44 8.875 -1.210 -6.335
360 HG2 PRO 44 1HG PRO 44 7.591 0.550 -7.905
361 HG3 PRO 44 2HG PRO 44 6.754 -0.347 -6.623
362 HD2 PRO 44 1HD PRO 44 7.711 2.489 -6.644
363 HD3 PRO 44 2HD PRO 44 6.213 1.809 -5.976
364 H LEU 45 H LEU 45 10.717 -0.548 -3.344
365 HA LEU 45 HA LEU 45 12.418 1.656 -3.048
366 HB2 LEU 45 1HB LEU 45 13.034 -1.289 -2.771
367 HB3 LEU 45 2HB LEU 45 14.042 0.015 -2.167
368 HG LEU 45 HG LEU 45 11.193 -0.363 -1.268
369 HD11 LEU 45 1HD1 LEU 45 12.398 -2.395 -0.747
370 HD12 LEU 45 2HD1 LEU 45 12.094 -1.461 0.718
371 HD13 LEU 45 3HD1 LEU 45 13.701 -1.457 -0.012
372 HD21 LEU 45 3HD2 LEU 45 12.152 1.837 -0.884
373 HD22 LEU 45 1HD2 LEU 45 13.546 1.107 -0.088
374 HD23 LEU 45 2HD2 LEU 45 11.945 0.973 0.640
375 H ASN 46 H ASN 46 13.071 -1.331 -4.881
376 HA ASN 46 HA ASN 46 14.484 0.330 -6.865
377 HB2 ASN 46 1HB ASN 46 15.072 -2.534 -6.062
378 HB3 ASN 46 2HB ASN 46 15.845 -1.690 -7.398
379 HD21 ASN 46 2HD2 ASN 46 16.950 -2.874 -4.951
380 HD22 ASN 46 1HD2 ASN 46 17.836 -1.599 -4.184
381 H GLY 47 H GLY 47 12.464 0.612 -7.950
382 HA2 GLY 47 1HA GLY 47 11.808 -1.638 -9.676
383 HA3 GLY 47 2HA GLY 47 10.521 -1.095 -8.611
384 H GLY 48 H GLY 48 9.155 0.282 -9.486
385 HA2 GLY 48 1HA GLY 48 10.071 2.263 -11.411
386 HA3 GLY 48 2HA GLY 48 8.962 1.044 -12.017
387 H LEU 49 H LEU 49 7.155 2.113 -12.362
388 HA LEU 49 HA LEU 49 6.156 4.359 -11.139
389 HB2 LEU 49 1HB LEU 49 5.298 3.297 -13.213
390 HB3 LEU 49 2HB LEU 49 4.534 2.061 -12.234
391 HG LEU 49 HG LEU 49 3.183 3.887 -11.142
392 HD11 LEU 49 1HD1 LEU 49 4.631 5.766 -11.692
393 HD12 LEU 49 2HD1 LEU 49 3.005 6.015 -12.327
394 HD13 LEU 49 3HD1 LEU 49 4.309 5.526 -13.409
395 HD21 LEU 49 3HD2 LEU 49 2.263 2.443 -12.883
396 HD22 LEU 49 1HD2 LEU 49 2.877 3.536 -14.122
397 HD23 LEU 49 2HD2 LEU 49 1.622 4.082 -13.010
398 H GLU 50 H GLU 50 4.984 4.844 -9.376
399 HA GLU 50 HA GLU 50 5.016 3.025 -7.173
400 HB2 GLU 50 1HB GLU 50 3.631 5.703 -7.421
401 HB3 GLU 50 2HB GLU 50 4.019 4.864 -5.925
402 HG2 GLU 50 1HG GLU 50 6.321 5.239 -6.186
403 HG3 GLU 50 2HG GLU 50 6.136 5.700 -7.877
404 H LYS 51 H LYS 51 3.435 1.716 -6.448
405 HA LYS 51 HA LYS 51 1.011 1.537 -8.042
406 HB2 LYS 51 1HB LYS 51 2.067 -0.222 -5.820
407 HB3 LYS 51 2HB LYS 51 0.556 -0.506 -6.667
408 HG2 LYS 51 1HG LYS 51 1.974 -1.922 -7.773
409 HG3 LYS 51 2HG LYS 51 2.061 -0.484 -8.792
410 HD2 LYS 51 1HD LYS 51 4.125 0.187 -7.641
411 HD3 LYS 51 2HD LYS 51 4.038 -1.271 -6.650
412 HE2 LYS 51 1HE LYS 51 5.577 -1.697 -8.420
413 HE3 LYS 51 2HE LYS 51 4.106 -2.611 -8.758
414 HZ1 LYS 51 3HZ LYS 51 4.917 -1.530 -10.749
415 HZ2 LYS 51 1HZ LYS 51 4.869 -0.014 -9.992
416 HZ3 LYS 51 2HZ LYS 51 3.430 -0.853 -10.299
417 H THR 52 H THR 52 -0.732 2.619 -7.502
418 HA THR 52 HA THR 52 -1.099 3.387 -4.687
419 HB THR 52 HB THR 52 -2.514 4.519 -7.104
420 HG1 THR 52 HG1 THR 52 0.008 4.766 -6.569
421 HG21 THR 52 3HG2 THR 52 -3.667 4.892 -4.985
422 HG22 THR 52 1HG2 THR 52 -2.990 6.402 -5.592
423 HG23 THR 52 2HG2 THR 52 -2.188 5.539 -4.278
424 H PHE 53 H PHE 53 -2.330 1.962 -3.636
425 HA PHE 53 HA PHE 53 -4.632 0.786 -5.048
426 HB2 PHE 53 1HB PHE 53 -3.108 -0.218 -2.634
427 HB3 PHE 53 2HB PHE 53 -4.582 -0.956 -3.249
428 HD1 PHE 53 HD1 PHE 53 -4.558 -1.816 -5.651
429 HD2 PHE 53 HD2 PHE 53 -1.033 -0.838 -3.478
430 HE1 PHE 53 HE1 PHE 53 -3.228 -3.206 -7.187
431 HE2 PHE 53 HE2 PHE 53 0.302 -2.222 -5.009
432 HZ PHE 53 HZ PHE 53 -0.794 -3.409 -6.867
433 H ARG 54 H ARG 54 -6.658 0.868 -4.119
434 HA ARG 54 HA ARG 54 -7.095 3.043 -2.294
435 HB2 ARG 54 1HB ARG 54 -9.101 1.056 -3.371
436 HB3 ARG 54 2HB ARG 54 -9.465 2.587 -2.588
437 HG2 ARG 54 1HG ARG 54 -8.243 3.721 -4.460
438 HG3 ARG 54 2HG ARG 54 -8.183 2.153 -5.269
439 HD2 ARG 54 1HD ARG 54 -10.624 3.734 -4.496
440 HD3 ARG 54 2HD ARG 54 -10.065 3.346 -6.122
441 HE ARG 54 HE ARG 54 -10.749 1.116 -4.371
442 HH11 ARG 54 1HH1 ARG 54 -11.611 3.168 -7.057
443 HH12 ARG 54 2HH1 ARG 54 -12.896 2.138 -7.614
444 HH21 ARG 54 1HH2 ARG 54 -12.422 -0.259 -5.076
445 HH22 ARG 54 2HH2 ARG 54 -13.365 0.179 -6.480
446 H LEU 55 H LEU 55 -7.791 2.953 -0.221
447 HA LEU 55 HA LEU 55 -7.685 0.317 1.083
448 HB2 LEU 55 1HB LEU 55 -6.500 2.958 1.908
449 HB3 LEU 55 2HB LEU 55 -6.762 1.656 3.060
450 HG LEU 55 HG LEU 55 -4.924 1.618 0.667
451 HD11 LEU 55 1HD1 LEU 55 -4.402 1.451 3.630
452 HD12 LEU 55 2HD1 LEU 55 -4.079 2.842 2.595
453 HD13 LEU 55 3HD1 LEU 55 -3.185 1.340 2.360
454 HD21 LEU 55 3HD2 LEU 55 -4.291 -0.634 1.387
455 HD22 LEU 55 1HD2 LEU 55 -5.989 -0.563 0.913
456 HD23 LEU 55 2HD2 LEU 55 -5.551 -0.593 2.621
457 H GLN 56 H GLN 56 -8.535 0.592 3.428
458 HA GLN 56 HA GLN 56 -11.076 2.071 3.341
459 HB2 GLN 56 1HB GLN 56 -10.267 -0.207 5.160
460 HB3 GLN 56 2HB GLN 56 -11.856 0.530 5.060
461 HG2 GLN 56 1HG GLN 56 -12.230 -0.369 2.898
462 HG3 GLN 56 2HG GLN 56 -10.552 -0.893 2.759
463 HE21 GLN 56 2HE2 GLN 56 -13.037 -2.429 2.578
464 HE22 GLN 56 1HE2 GLN 56 -12.913 -3.673 3.771
465 H ALA 57 H ALA 57 -11.772 2.702 5.686
466 HA ALA 57 HA ALA 57 -9.960 4.593 6.693
467 HB1 ALA 57 3HB ALA 57 -12.382 4.742 7.030
468 HB2 ALA 57 1HB ALA 57 -11.512 4.841 8.560
469 HB3 ALA 57 2HB ALA 57 -12.319 3.343 8.101
470 H GLN 58 H GLN 58 -10.859 1.383 7.919
471 HA GLN 58 HA GLN 58 -9.134 1.413 10.156
472 HB2 GLN 58 1HB GLN 58 -10.233 -0.940 8.611
473 HB3 GLN 58 2HB GLN 58 -9.503 -1.024 10.208
474 HG2 GLN 58 1HG GLN 58 -11.278 0.271 11.154
475 HG3 GLN 58 2HG GLN 58 -11.962 0.581 9.559
476 HE21 GLN 58 2HE2 GLN 58 -13.193 -0.636 11.877
477 HE22 GLN 58 1HE2 GLN 58 -13.700 -2.220 11.385
478 H GLN 59 H GLN 59 -8.643 0.600 6.800
479 HA GLN 59 HA GLN 59 -6.200 -0.817 7.162
480 HB2 GLN 59 1HB GLN 59 -7.251 0.592 4.703
481 HB3 GLN 59 2HB GLN 59 -5.897 -0.526 4.735
482 HG2 GLN 59 1HG GLN 59 -8.765 -1.175 5.364
483 HG3 GLN 59 2HG GLN 59 -7.885 -1.617 3.904
484 HE21 GLN 59 2HE2 GLN 59 -9.240 -3.322 5.800
485 HE22 GLN 59 1HE2 GLN 59 -8.048 -4.420 6.414
486 H TYR 60 H TYR 60 -6.996 2.545 6.323
487 HA TYR 60 HA TYR 60 -4.268 3.356 6.101
488 HB2 TYR 60 1HB TYR 60 -6.227 4.531 5.035
489 HB3 TYR 60 2HB TYR 60 -6.664 5.124 6.634
490 HD1 TYR 60 HD2 TYR 60 -3.891 5.132 4.153
491 HD2 TYR 60 HD1 TYR 60 -5.715 7.105 7.450
492 HE1 TYR 60 HE2 TYR 60 -2.360 7.032 3.853
493 HE2 TYR 60 HE1 TYR 60 -4.188 9.010 7.163
494 HH TYR 60 HH TYR 60 -1.928 9.429 6.186
495 H HIS 61 H HIS 61 -6.427 2.865 8.715
496 HA HIS 61 HA HIS 61 -5.117 4.461 10.667
497 HB2 HIS 61 1HB HIS 61 -7.388 3.693 11.036
498 HB3 HIS 61 2HB HIS 61 -6.882 2.013 10.926
499 HD1 HIS 61 HD1 HIS 61 -7.190 1.067 13.187
500 HD2 HIS 61 HD2 HIS 61 -5.458 4.852 13.312
501 HE1 HIS 61 HE1 HIS 61 -6.630 1.483 15.603
502 HE2 HIS 61 HE2 HIS 61 -5.400 3.682 15.622
503 H ALA 62 H ALA 62 -4.413 1.441 9.188
504 HA ALA 62 HA ALA 62 -2.375 0.817 11.203
505 HB1 ALA 62 3HB ALA 62 -2.198 -1.358 10.102
506 HB2 ALA 62 1HB ALA 62 -3.367 -0.845 8.886
507 HB3 ALA 62 2HB ALA 62 -3.864 -1.016 10.569
508 H LEU 63 H LEU 63 -2.806 1.474 7.762
509 HA LEU 63 HA LEU 63 -0.084 1.219 7.033
510 HB2 LEU 63 1HB LEU 63 -2.549 2.265 5.782
511 HB3 LEU 63 2HB LEU 63 -1.047 2.929 5.170
512 HG LEU 63 HG LEU 63 -1.816 1.046 3.817
513 HD11 LEU 63 1HD1 LEU 63 0.258 -0.239 3.819
514 HD12 LEU 63 2HD1 LEU 63 0.678 0.437 5.393
515 HD13 LEU 63 3HD1 LEU 63 0.568 1.489 3.981
516 HD21 LEU 63 3HD2 LEU 63 -1.808 -1.227 4.720
517 HD22 LEU 63 1HD2 LEU 63 -3.004 -0.214 5.529
518 HD23 LEU 63 2HD2 LEU 63 -1.477 -0.588 6.330
519 H THR 64 H THR 64 1.300 2.354 8.281
520 HA THR 64 HA THR 64 0.856 5.181 8.759
521 HB THR 64 HB THR 64 3.195 3.444 9.576
522 HG1 THR 64 HG1 THR 64 1.116 2.833 10.486
523 HG21 THR 64 3HG2 THR 64 3.729 5.833 9.564
524 HG22 THR 64 1HG2 THR 64 3.635 5.219 11.214
525 HG23 THR 64 2HG2 THR 64 2.302 6.163 10.548
526 H VAL 65 H VAL 65 1.581 6.704 7.444
527 HA VAL 65 HA VAL 65 3.021 6.204 5.101
528 HB VAL 65 HB VAL 65 2.501 8.775 6.593
529 HG11 VAL 65 1HG1 VAL 65 3.191 9.957 4.558
530 HG12 VAL 65 2HG1 VAL 65 3.711 8.428 3.849
531 HG13 VAL 65 3HG1 VAL 65 4.533 9.064 5.275
532 HG21 VAL 65 3HG2 VAL 65 0.548 7.658 5.681
533 HG22 VAL 65 1HG2 VAL 65 1.323 7.561 4.100
534 HG23 VAL 65 2HG2 VAL 65 0.890 9.134 4.775
535 H GLY 66 H GLY 66 5.096 6.039 4.649
536 HA2 GLY 66 1HA GLY 66 7.391 6.595 4.877
537 HA3 GLY 66 2HA GLY 66 7.087 7.056 6.547
538 H ASP 67 H ASP 67 5.431 4.423 6.677
539 HA ASP 67 HA ASP 67 7.651 2.910 7.723
540 HB2 ASP 67 1HB ASP 67 5.453 2.929 8.882
541 HB3 ASP 67 2HB ASP 67 4.754 2.060 7.516
542 H GLN 68 H GLN 68 8.924 2.344 6.036
543 HA GLN 68 HA GLN 68 8.053 0.996 3.711
544 HB2 GLN 68 1HB GLN 68 10.735 0.667 5.070
545 HB3 GLN 68 2HB GLN 68 10.366 0.405 3.371
546 HG2 GLN 68 1HG GLN 68 9.886 2.807 3.133
547 HG3 GLN 68 2HG GLN 68 10.343 3.044 4.818
548 HE21 GLN 68 2HE2 GLN 68 11.508 4.218 2.460
549 HE22 GLN 68 1HE2 GLN 68 13.175 3.764 2.447
550 H GLY 69 H GLY 69 7.460 -1.091 3.398
551 HA2 GLY 69 1HA GLY 69 8.193 -3.156 5.275
552 HA3 GLY 69 2HA GLY 69 6.516 -2.649 5.407
553 H THR 70 H THR 70 6.641 -5.129 4.873
554 HA THR 70 HA THR 70 7.265 -5.815 2.164
555 HB THR 70 HB THR 70 5.780 -7.552 4.124
556 HG1 THR 70 HG1 THR 70 7.600 -7.858 5.230
557 HG21 THR 70 3HG2 THR 70 7.788 -8.150 1.945
558 HG22 THR 70 1HG2 THR 70 6.047 -8.417 1.850
559 HG23 THR 70 2HG2 THR 70 7.021 -9.345 2.991
560 H LEU 71 H LEU 71 5.931 -5.985 0.470
561 HA LEU 71 HA LEU 71 3.037 -5.790 0.966
562 HB2 LEU 71 1HB LEU 71 3.971 -3.823 -0.185
563 HB3 LEU 71 2HB LEU 71 4.609 -4.864 -1.443
564 HG LEU 71 HG LEU 71 2.313 -5.491 -2.081
565 HD11 LEU 71 1HD1 LEU 71 0.419 -4.256 -1.157
566 HD12 LEU 71 2HD1 LEU 71 1.496 -3.463 -0.007
567 HD13 LEU 71 3HD1 LEU 71 1.238 -5.205 0.084
568 HD21 LEU 71 3HD2 LEU 71 3.424 -3.629 -3.201
569 HD22 LEU 71 1HD2 LEU 71 2.795 -2.516 -1.987
570 HD23 LEU 71 2HD2 LEU 71 1.686 -3.351 -3.074
571 H SER 72 H SER 72 1.989 -7.581 0.562
572 HA SER 72 HA SER 72 3.122 -9.595 -1.254
573 HB2 SER 72 1HB SER 72 0.814 -9.802 0.702
574 HB3 SER 72 2HB SER 72 1.552 -11.132 -0.190
575 HG SER 72 HG SER 72 2.870 -9.488 1.715
576 H TYR 73 H TYR 73 2.488 -9.306 -3.304
577 HA TYR 73 HA TYR 73 -0.372 -8.995 -3.819
578 HB2 TYR 73 1HB TYR 73 0.069 -7.301 -5.574
579 HB3 TYR 73 2HB TYR 73 0.481 -6.727 -3.965
580 HD1 TYR 73 HD1 TYR 73 2.938 -6.732 -3.287
581 HD2 TYR 73 HD2 TYR 73 1.661 -7.270 -7.310
582 HE1 TYR 73 HE1 TYR 73 5.182 -6.115 -4.077
583 HE2 TYR 73 HE2 TYR 73 3.903 -6.663 -8.107
584 HH TYR 73 HH TYR 73 6.595 -6.443 -6.035
585 H LYS 74 H LYS 74 -1.028 -9.673 -5.918
586 HA LYS 74 HA LYS 74 0.958 -11.323 -7.335
587 HB2 LYS 74 1HB LYS 74 -1.951 -11.999 -6.856
588 HB3 LYS 74 2HB LYS 74 -0.847 -12.930 -7.857
589 HG2 LYS 74 1HG LYS 74 0.560 -13.294 -5.829
590 HG3 LYS 74 2HG LYS 74 -0.719 -12.532 -4.879
591 HD2 LYS 74 1HD LYS 74 -2.296 -14.229 -5.590
592 HD3 LYS 74 2HD LYS 74 -1.075 -14.961 -6.632
593 HE2 LYS 74 1HE LYS 74 0.314 -15.326 -4.572
594 HE3 LYS 74 2HE LYS 74 -1.084 -14.821 -3.624
595 HZ1 LYS 74 3HZ LYS 74 -0.966 -17.135 -5.479
596 HZ2 LYS 74 1HZ LYS 74 -2.351 -16.632 -4.642
597 HZ3 LYS 74 2HZ LYS 74 -1.007 -17.209 -3.786
598 H GLY 75 H GLY 75 1.353 -9.943 -9.003
599 HA2 GLY 75 1HA GLY 75 0.971 -8.791 -10.956
600 HA3 GLY 75 2HA GLY 75 -0.604 -9.574 -11.026
601 H THR 76 H THR 76 -2.290 -8.257 -10.904
602 HA THR 76 HA THR 76 -1.944 -5.589 -9.772
603 HB THR 76 HB THR 76 -4.310 -5.288 -10.717
604 HG1 THR 76 HG1 THR 76 -5.179 -7.033 -11.525
605 HG21 THR 76 3HG2 THR 76 -3.474 -4.959 -13.001
606 HG22 THR 76 1HG2 THR 76 -2.040 -5.910 -12.613
607 HG23 THR 76 2HG2 THR 76 -2.323 -4.367 -11.804
608 H ARG 77 H ARG 77 -2.882 -8.595 -8.745
609 HA ARG 77 HA ARG 77 -5.141 -7.828 -7.132
610 HB2 ARG 77 1HB ARG 77 -5.178 -10.074 -7.894
611 HB3 ARG 77 2HB ARG 77 -3.527 -10.362 -7.363
612 HG2 ARG 77 1HG ARG 77 -4.286 -10.128 -5.018
613 HG3 ARG 77 2HG ARG 77 -5.942 -9.974 -5.607
614 HD2 ARG 77 1HD ARG 77 -4.264 -12.325 -6.385
615 HD3 ARG 77 2HD ARG 77 -5.070 -12.287 -4.819
616 HE ARG 77 HE ARG 77 -7.142 -11.792 -6.336
617 HH11 ARG 77 1HH1 ARG 77 -4.492 -13.961 -7.097
618 HH12 ARG 77 2HH1 ARG 77 -5.500 -15.107 -7.916
619 HH21 ARG 77 1HH2 ARG 77 -8.469 -13.323 -7.407
620 HH22 ARG 77 2HH2 ARG 77 -7.748 -14.752 -8.100
621 H PHE 78 H PHE 78 -4.743 -6.457 -5.530
622 HA PHE 78 HA PHE 78 -2.424 -6.537 -3.867
623 HB2 PHE 78 1HB PHE 78 -3.697 -4.465 -4.162
624 HB3 PHE 78 2HB PHE 78 -5.128 -5.220 -3.473
625 HD1 PHE 78 HD1 PHE 78 -1.749 -3.960 -2.720
626 HD2 PHE 78 HD2 PHE 78 -5.437 -5.363 -1.127
627 HE1 PHE 78 HE1 PHE 78 -1.082 -3.169 -0.488
628 HE2 PHE 78 HE2 PHE 78 -4.776 -4.578 1.108
629 HZ PHE 78 HZ PHE 78 -2.597 -3.477 1.430
630 H VAL 79 H VAL 79 -2.034 -8.149 -2.466
631 HA VAL 79 HA VAL 79 -4.288 -9.706 -1.454
632 HB VAL 79 HB VAL 79 -1.322 -10.246 -1.204
633 HG11 VAL 79 1HG1 VAL 79 -3.688 -12.013 -0.583
634 HG12 VAL 79 2HG1 VAL 79 -2.613 -11.269 0.600
635 HG13 VAL 79 3HG1 VAL 79 -1.993 -12.492 -0.509
636 HG21 VAL 79 3HG2 VAL 79 -1.709 -11.969 -2.909
637 HG22 VAL 79 1HG2 VAL 79 -2.070 -10.352 -3.518
638 HG23 VAL 79 2HG2 VAL 79 -3.384 -11.435 -3.059
639 H GLY 80 H GLY 80 -1.402 -8.017 -0.184
640 HA2 GLY 80 1HA GLY 80 -2.764 -6.747 1.883
641 HA3 GLY 80 2HA GLY 80 -2.183 -8.273 2.530
642 H PHE 81 H PHE 81 -1.490 -5.470 3.150
643 HA PHE 81 HA PHE 81 1.384 -5.493 2.559
644 HB2 PHE 81 1HB PHE 81 0.172 -3.374 2.150
645 HB3 PHE 81 2HB PHE 81 -0.339 -3.346 3.832
646 HD1 PHE 81 HD1 PHE 81 2.495 -2.936 1.543
647 HD2 PHE 81 HD2 PHE 81 1.166 -2.674 5.577
648 HE1 PHE 81 HE1 PHE 81 4.527 -1.680 2.129
649 HE2 PHE 81 HE2 PHE 81 3.195 -1.417 6.168
650 HZ PHE 81 HZ PHE 81 4.879 -0.920 4.444
651 H VAL 82 H VAL 82 2.826 -6.025 4.121
652 HA VAL 82 HA VAL 82 1.769 -6.395 6.847
653 HB VAL 82 HB VAL 82 3.695 -8.283 5.479
654 HG11 VAL 82 1HG1 VAL 82 2.276 -8.450 8.136
655 HG12 VAL 82 2HG1 VAL 82 3.999 -8.167 7.884
656 HG13 VAL 82 3HG1 VAL 82 3.284 -9.715 7.431
657 HG21 VAL 82 3HG2 VAL 82 1.845 -9.896 5.456
658 HG22 VAL 82 1HG2 VAL 82 1.491 -8.479 4.467
659 HG23 VAL 82 2HG2 VAL 82 0.756 -8.649 6.063
660 H SER 83 H SER 83 2.806 -5.021 8.121
661 HA SER 83 HA SER 83 5.524 -4.196 7.598
662 HB2 SER 83 1HB SER 83 3.741 -2.676 8.563
663 HB3 SER 83 2HB SER 83 3.827 -3.625 10.046
664 HG SER 83 HG SER 83 5.377 -1.595 9.276
665 H ARG 84 H ARG 84 7.313 -4.661 9.016
666 HA ARG 84 HA ARG 84 7.061 -7.354 10.107
667 HB2 ARG 84 1HB ARG 84 9.536 -5.683 9.630
668 HB3 ARG 84 2HB ARG 84 9.525 -7.357 10.167
669 HG2 ARG 84 1HG ARG 84 8.273 -7.878 8.016
670 HG3 ARG 84 2HG ARG 84 8.721 -6.254 7.494
671 HD2 ARG 84 1HD ARG 84 11.106 -6.857 7.945
672 HD3 ARG 84 2HD ARG 84 10.574 -8.510 8.243
673 HE ARG 84 HE ARG 84 10.761 -7.156 5.682
674 HH11 ARG 84 1HH1 ARG 84 9.513 -9.921 7.438
675 HH12 ARG 84 2HH1 ARG 84 9.362 -10.915 6.015
676 HH21 ARG 84 1HH2 ARG 84 10.584 -8.470 3.808
677 HH22 ARG 84 2HH2 ARG 84 9.962 -10.089 3.955
678 H THR 85 H THR 85 6.539 -4.430 11.334
679 HA THR 85 HA THR 85 7.378 -5.307 14.003
680 HB THR 85 HB THR 85 8.948 -3.580 13.424
681 HG1 THR 85 HG1 THR 85 7.508 -3.486 15.537
682 HG21 THR 85 3HG2 THR 85 6.577 -1.818 12.797
683 HG22 THR 85 1HG2 THR 85 7.713 -2.488 11.625
684 HG23 THR 85 2HG2 THR 85 8.265 -1.308 12.813
685 HA PRO 86 HA PRO 86 3.018 -4.460 14.597
686 HB2 PRO 86 1HB PRO 86 2.693 -5.949 16.785
687 HB3 PRO 86 2HB PRO 86 2.989 -6.707 15.216
688 HG2 PRO 86 1HG PRO 86 4.876 -6.251 17.486
689 HG3 PRO 86 2HG PRO 86 4.735 -7.651 16.408
690 HD2 PRO 86 1HD PRO 86 6.591 -5.588 16.149
691 HD3 PRO 86 2HD PRO 86 6.133 -6.728 14.869
692 H ASP 87 H ASP 87 5.112 -2.616 15.498
693 HA ASP 87 HA ASP 87 4.173 -1.877 18.178
694 HB2 ASP 87 1HB ASP 87 6.662 -1.066 16.661
695 HB3 ASP 87 2HB ASP 87 6.206 -0.417 18.232
696 H ASN 88 H ASN 88 2.345 -0.738 17.795
697 HA ASN 88 HA ASN 88 2.226 1.213 15.672
698 HB2 ASN 88 1HB ASN 88 0.217 0.453 17.802
699 HB3 ASN 88 2HB ASN 88 -0.087 1.640 16.538
700 HD21 ASN 88 2HD2 ASN 88 -1.709 0.554 15.509
701 HD22 ASN 88 1HD2 ASN 88 -1.467 -0.948 14.683
702 H GLU 89 H GLU 89 4.185 1.677 17.741
703 HA GLU 89 HA GLU 89 3.338 3.750 19.482
704 HB2 GLU 89 1HB GLU 89 5.438 2.407 19.741
705 HB3 GLU 89 2HB GLU 89 6.112 3.276 18.370
706 HG2 GLU 89 1HG GLU 89 5.874 5.381 19.617
707 HG3 GLU 89 2HG GLU 89 5.264 4.472 20.999
708 H LEU 90 H LEU 90 4.205 3.591 16.149
709 HA LEU 90 HA LEU 90 4.728 6.290 15.594
710 HB2 LEU 90 1HB LEU 90 3.352 4.255 13.836
711 HB3 LEU 90 2HB LEU 90 4.103 5.742 13.292
712 HG LEU 90 HG LEU 90 5.567 3.423 14.557
713 HD11 LEU 90 1HD1 LEU 90 4.711 2.865 12.343
714 HD12 LEU 90 2HD1 LEU 90 6.466 3.036 12.322
715 HD13 LEU 90 3HD1 LEU 90 5.446 4.326 11.684
716 HD21 LEU 90 3HD2 LEU 90 6.592 5.954 13.279
717 HD22 LEU 90 1HD2 LEU 90 7.583 4.614 13.853
718 HD23 LEU 90 2HD2 LEU 90 6.638 5.566 14.998
719 H GLU 91 H GLU 91 1.747 4.542 16.111
720 HA GLU 91 HA GLU 91 0.107 6.820 15.355
721 HB2 GLU 91 1HB GLU 91 -0.621 4.486 14.852
722 HB3 GLU 91 2HB GLU 91 -0.718 4.175 16.580
723 HG2 GLU 91 1HG GLU 91 -2.230 6.508 16.025
724 HG3 GLU 91 2HG GLU 91 -2.682 5.270 14.856
725 H HIS 92 H HIS 92 1.270 5.151 18.201
726 HA HIS 92 HA HIS 92 -0.401 6.451 20.084
727 HB2 HIS 92 1HB HIS 92 1.081 4.308 20.330
728 HB3 HIS 92 2HB HIS 92 2.331 5.452 20.808
729 HD1 HIS 92 HD1 HIS 92 -1.291 4.752 21.762
730 HD2 HIS 92 HD2 HIS 92 2.328 5.874 23.480
731 HE1 HIS 92 HE1 HIS 92 -1.726 4.892 24.238
732 HE2 HIS 92 HE2 HIS 92 0.538 5.313 25.262
733 H HIS 93 H HIS 93 2.666 7.278 18.604
734 HA HIS 93 HA HIS 93 2.716 9.822 20.031
735 HB2 HIS 93 1HB HIS 93 4.493 8.626 17.899
736 HB3 HIS 93 2HB HIS 93 4.625 10.311 18.387
737 HD1 HIS 93 HD1 HIS 93 6.816 7.996 18.774
738 HD2 HIS 93 HD2 HIS 93 4.306 9.596 21.681
739 HE1 HIS 93 HE1 HIS 93 7.969 7.587 20.970
740 HE2 HIS 93 HE2 HIS 93 6.549 8.773 22.681
741 H HIS 94 H HIS 94 0.686 10.592 19.381
742 HA HIS 94 HA HIS 94 -0.053 10.606 16.604
743 HB2 HIS 94 1HB HIS 94 -1.599 10.372 18.660
744 HB3 HIS 94 2HB HIS 94 -1.464 12.120 18.794
745 HD1 HIS 94 HD1 HIS 94 -3.454 9.546 17.259
746 HD2 HIS 94 HD2 HIS 94 -2.376 13.449 16.286
747 HE1 HIS 94 HE1 HIS 94 -5.112 10.299 15.521
748 HE2 HIS 94 HE2 HIS 94 -4.386 12.629 14.876
749 H HIS 95 H HIS 95 0.963 11.955 15.284
750 HA HIS 95 HA HIS 95 1.687 14.643 16.228
751 HB2 HIS 95 1HB HIS 95 2.398 13.308 13.606
752 HB3 HIS 95 2HB HIS 95 3.071 14.803 14.238
753 HD1 HIS 95 HD1 HIS 95 4.403 11.855 13.514
754 HD2 HIS 95 HD2 HIS 95 3.976 13.726 17.208
755 HE1 HIS 95 HE1 HIS 95 6.159 10.835 15.000
756 HE2 HIS 95 HE2 HIS 95 5.985 12.085 17.179
757 H HIS 96 H HIS 96 1.071 16.524 15.038
758 HA HIS 96 HA HIS 96 -1.403 16.341 13.564
759 HB2 HIS 96 1HB HIS 96 0.487 18.685 13.922
760 HB3 HIS 96 2HB HIS 96 -1.108 18.778 13.190
761 HD1 HIS 96 HD1 HIS 96 0.397 19.736 16.130
762 HD2 HIS 96 HD2 HIS 96 -3.040 17.534 15.345
763 HE1 HIS 96 HE1 HIS 96 -1.011 19.916 18.207
764 HE2 HIS 96 HE2 HIS 96 -3.179 18.787 17.607
765 H HIS 97 H HIS 97 1.955 16.352 12.936
766 HA HIS 97 HA HIS 97 1.472 15.951 10.084
767 HB2 HIS 97 1HB HIS 97 2.154 18.276 10.237
768 HB3 HIS 97 2HB HIS 97 3.503 17.854 11.283
769 HD1 HIS 97 HD1 HIS 97 5.641 17.038 10.183
770 HD2 HIS 97 HD2 HIS 97 2.542 17.686 7.492
771 HE1 HIS 97 HE1 HIS 97 6.699 16.956 7.904
772 HE2 HIS 97 HE2 HIS 97 4.858 17.655 6.335
Start of MODEL 9
1 H1 MET 1 1H MET 1 9.279 -14.569 -6.180
2 H2 MET 1 2H MET 1 10.157 -15.829 -6.890
3 H3 MET 1 3H MET 1 10.908 -14.800 -5.768
4 HA MET 1 HA MET 1 10.387 -16.937 -4.792
5 HB2 MET 1 1HB MET 1 8.736 -14.624 -3.755
6 HB3 MET 1 2HB MET 1 9.057 -16.095 -2.849
7 HG2 MET 1 1HG MET 1 11.444 -15.615 -2.899
8 HG3 MET 1 2HG MET 1 11.135 -14.151 -3.829
9 HE1 MET 1 3HE MET 1 9.127 -11.983 -1.240
10 HE2 MET 1 1HE MET 1 8.451 -13.093 -2.431
11 HE3 MET 1 2HE MET 1 9.802 -12.047 -2.869
12 H ALA 2 H ALA 2 7.275 -15.220 -4.995
13 HA ALA 2 HA ALA 2 6.010 -17.641 -6.043
14 HB1 ALA 2 3HB ALA 2 5.072 -16.189 -3.564
15 HB2 ALA 2 1HB ALA 2 5.823 -17.784 -3.601
16 HB3 ALA 2 2HB ALA 2 4.245 -17.535 -4.348
17 HA PRO 3 HA PRO 3 3.462 -14.931 -8.501
18 HB2 PRO 3 1HB PRO 3 1.064 -16.174 -7.243
19 HB3 PRO 3 2HB PRO 3 1.463 -15.973 -8.954
20 HG2 PRO 3 1HG PRO 3 1.696 -18.351 -7.803
21 HG3 PRO 3 2HG PRO 3 2.916 -17.790 -8.963
22 HD2 PRO 3 1HD PRO 3 3.050 -17.908 -5.977
23 HD3 PRO 3 2HD PRO 3 4.311 -18.257 -7.177
24 H LEU 4 H LEU 4 2.480 -15.304 -5.113
25 HA LEU 4 HA LEU 4 1.388 -12.646 -4.959
26 HB2 LEU 4 1HB LEU 4 0.755 -14.492 -3.373
27 HB3 LEU 4 2HB LEU 4 2.372 -14.405 -2.706
28 HG LEU 4 HG LEU 4 1.939 -12.064 -2.030
29 HD11 LEU 4 1HD1 LEU 4 0.240 -11.521 -3.685
30 HD12 LEU 4 2HD1 LEU 4 -0.354 -11.232 -2.050
31 HD13 LEU 4 3HD1 LEU 4 -0.871 -12.668 -2.935
32 HD21 LEU 4 3HD2 LEU 4 1.635 -13.886 -0.445
33 HD22 LEU 4 1HD2 LEU 4 -0.027 -14.102 -0.994
34 HD23 LEU 4 2HD2 LEU 4 0.445 -12.614 -0.172
35 H GLN 5 H GLN 5 2.761 -11.013 -5.374
36 HA GLN 5 HA GLN 5 5.575 -11.366 -4.881
37 HB2 GLN 5 1HB GLN 5 4.671 -10.193 -6.900
38 HB3 GLN 5 2HB GLN 5 4.130 -8.893 -5.848
39 HG2 GLN 5 1HG GLN 5 6.248 -8.391 -6.985
40 HG3 GLN 5 2HG GLN 5 6.398 -8.384 -5.228
41 HE21 GLN 5 2HE2 GLN 5 7.668 -9.904 -4.227
42 HE22 GLN 5 1HE2 GLN 5 8.707 -10.989 -5.089
43 H GLN 6 H GLN 6 6.300 -11.178 -2.908
44 HA GLN 6 HA GLN 6 5.297 -9.007 -1.211
45 HB2 GLN 6 1HB GLN 6 6.895 -11.478 -0.516
46 HB3 GLN 6 2HB GLN 6 6.514 -10.198 0.627
47 HG2 GLN 6 1HG GLN 6 4.101 -10.636 0.207
48 HG3 GLN 6 2HG GLN 6 4.578 -12.024 -0.770
49 HE21 GLN 6 2HE2 GLN 6 3.030 -11.854 1.719
50 HE22 GLN 6 1HE2 GLN 6 3.849 -12.878 2.849
51 H LYS 7 H LYS 7 6.481 -7.234 -1.136
52 HA LYS 7 HA LYS 7 9.396 -7.482 -1.288
53 HB2 LYS 7 1HB LYS 7 8.289 -6.848 -3.548
54 HB3 LYS 7 2HB LYS 7 7.983 -5.290 -2.788
55 HG2 LYS 7 1HG LYS 7 10.511 -5.335 -2.245
56 HG3 LYS 7 2HG LYS 7 10.584 -6.561 -3.511
57 HD2 LYS 7 1HD LYS 7 9.457 -4.942 -5.039
58 HD3 LYS 7 2HD LYS 7 9.608 -3.721 -3.772
59 HE2 LYS 7 1HE LYS 7 11.811 -5.144 -5.246
60 HE3 LYS 7 2HE LYS 7 11.443 -3.420 -5.251
61 HZ1 LYS 7 3HZ LYS 7 12.448 -4.992 -2.933
62 HZ2 LYS 7 1HZ LYS 7 12.054 -3.344 -2.896
63 HZ3 LYS 7 2HZ LYS 7 13.340 -3.884 -3.856
64 H GLN 8 H GLN 8 10.516 -5.644 -0.397
65 HA GLN 8 HA GLN 8 8.989 -4.239 1.636
66 HB2 GLN 8 1HB GLN 8 11.948 -4.117 1.002
67 HB3 GLN 8 2HB GLN 8 11.164 -3.444 2.426
68 HG2 GLN 8 1HG GLN 8 10.530 -5.689 3.145
69 HG3 GLN 8 2HG GLN 8 11.306 -6.366 1.715
70 HE21 GLN 8 2HE2 GLN 8 11.868 -6.884 4.505
71 HE22 GLN 8 1HE2 GLN 8 13.529 -6.474 4.750
72 H VAL 9 H VAL 9 7.992 -2.427 1.107
73 HA VAL 9 HA VAL 9 9.159 -0.745 -1.017
74 HB VAL 9 HB VAL 9 6.831 -0.075 -1.610
75 HG11 VAL 9 1HG1 VAL 9 7.444 -3.019 -1.856
76 HG12 VAL 9 2HG1 VAL 9 8.013 -1.743 -2.933
77 HG13 VAL 9 3HG1 VAL 9 6.293 -2.123 -2.848
78 HG21 VAL 9 3HG2 VAL 9 6.063 -2.363 0.202
79 HG22 VAL 9 1HG2 VAL 9 4.969 -1.489 -0.871
80 HG23 VAL 9 2HG2 VAL 9 5.730 -0.655 0.485
81 H VAL 10 H VAL 10 8.027 1.496 -0.979
82 HA VAL 10 HA VAL 10 8.034 2.473 1.803
83 HB VAL 10 HB VAL 10 8.694 4.046 -0.697
84 HG11 VAL 10 1HG1 VAL 10 8.989 4.750 2.220
85 HG12 VAL 10 2HG1 VAL 10 7.804 5.419 1.099
86 HG13 VAL 10 3HG1 VAL 10 9.521 5.742 0.863
87 HG21 VAL 10 3HG2 VAL 10 10.393 2.343 -0.279
88 HG22 VAL 10 1HG2 VAL 10 10.579 2.930 1.374
89 HG23 VAL 10 2HG2 VAL 10 11.020 3.965 0.014
90 H VAL 11 H VAL 11 6.182 3.362 2.518
91 HA VAL 11 HA VAL 11 4.003 3.890 0.685
92 HB VAL 11 HB VAL 11 4.128 4.434 3.658
93 HG11 VAL 11 1HG1 VAL 11 2.364 5.661 2.519
94 HG12 VAL 11 2HG1 VAL 11 1.681 4.384 3.526
95 HG13 VAL 11 3HG1 VAL 11 1.783 4.169 1.779
96 HG21 VAL 11 3HG2 VAL 11 2.933 2.305 3.928
97 HG22 VAL 11 1HG2 VAL 11 4.537 2.076 3.230
98 HG23 VAL 11 2HG2 VAL 11 3.108 1.997 2.200
99 H SER 12 H SER 12 4.422 5.631 -0.554
100 HA SER 12 HA SER 12 5.951 7.855 0.347
101 HB2 SER 12 1HB SER 12 4.211 7.778 -2.116
102 HB3 SER 12 2HB SER 12 5.670 8.730 -1.850
103 HG SER 12 HG SER 12 5.897 6.778 -3.168
104 H ASN 13 H ASN 13 2.525 7.603 -0.626
105 HA ASN 13 HA ASN 13 1.704 9.617 1.240
106 HB2 ASN 13 1HB ASN 13 2.766 11.008 -0.528
107 HB3 ASN 13 2HB ASN 13 1.680 10.300 -1.716
108 HD21 ASN 13 2HD2 ASN 13 0.765 12.239 -2.279
109 HD22 ASN 13 1HD2 ASN 13 -0.301 13.115 -1.238
110 H LYS 14 H LYS 14 -0.647 10.076 1.009
111 HA LYS 14 HA LYS 14 -2.048 7.685 0.066
112 HB2 LYS 14 1HB LYS 14 -3.946 8.539 1.399
113 HB3 LYS 14 2HB LYS 14 -2.492 8.339 2.369
114 HG2 LYS 14 1HG LYS 14 -2.119 10.649 2.489
115 HG3 LYS 14 2HG LYS 14 -3.239 10.984 1.168
116 HD2 LYS 14 1HD LYS 14 -5.115 10.321 2.557
117 HD3 LYS 14 2HD LYS 14 -4.017 9.888 3.869
118 HE2 LYS 14 1HE LYS 14 -3.339 12.166 4.135
119 HE3 LYS 14 2HE LYS 14 -4.224 12.651 2.689
120 HZ1 LYS 14 3HZ LYS 14 -5.546 11.488 5.076
121 HZ2 LYS 14 1HZ LYS 14 -6.276 12.276 3.760
122 HZ3 LYS 14 2HZ LYS 14 -5.328 13.156 4.861
123 H ARG 15 H ARG 15 -4.043 7.895 -1.114
124 HA ARG 15 HA ARG 15 -4.567 10.485 -2.380
125 HB2 ARG 15 1HB ARG 15 -4.506 7.955 -4.025
126 HB3 ARG 15 2HB ARG 15 -4.667 9.608 -4.595
127 HG2 ARG 15 1HG ARG 15 -2.331 10.016 -3.810
128 HG3 ARG 15 2HG ARG 15 -2.209 8.284 -3.484
129 HD2 ARG 15 1HD ARG 15 -3.028 8.041 -5.942
130 HD3 ARG 15 2HD ARG 15 -2.475 9.708 -6.098
131 HE ARG 15 HE ARG 15 -0.819 7.346 -5.600
132 HH11 ARG 15 1HH1 ARG 15 -1.027 10.811 -6.064
133 HH12 ARG 15 2HH1 ARG 15 0.657 10.998 -6.440
134 HH21 ARG 15 1HH2 ARG 15 1.376 7.568 -6.106
135 HH22 ARG 15 2HH2 ARG 15 2.034 9.131 -6.493
136 H GLU 16 H GLU 16 -6.708 10.417 -3.550
137 HA GLU 16 HA GLU 16 -8.381 8.113 -2.967
138 HB2 GLU 16 1HB GLU 16 -8.858 9.685 -1.096
139 HB3 GLU 16 2HB GLU 16 -9.307 10.915 -2.273
140 HG2 GLU 16 1HG GLU 16 -11.075 9.382 -3.112
141 HG3 GLU 16 2HG GLU 16 -10.670 8.273 -1.805
142 H LYS 17 H LYS 17 -8.485 7.605 -5.116
143 HA LYS 17 HA LYS 17 -9.407 9.638 -6.983
144 HB2 LYS 17 1HB LYS 17 -8.771 6.711 -7.383
145 HB3 LYS 17 2HB LYS 17 -9.265 7.808 -8.667
146 HG2 LYS 17 1HG LYS 17 -6.788 8.090 -6.977
147 HG3 LYS 17 2HG LYS 17 -6.848 7.475 -8.630
148 HD2 LYS 17 1HD LYS 17 -7.631 9.608 -9.440
149 HD3 LYS 17 2HD LYS 17 -7.742 10.231 -7.791
150 HE2 LYS 17 1HE LYS 17 -5.337 10.028 -7.529
151 HE3 LYS 17 2HE LYS 17 -5.202 9.329 -9.142
152 HZ1 LYS 17 3HZ LYS 17 -6.320 12.033 -8.665
153 HZ2 LYS 17 1HZ LYS 17 -5.799 11.359 -10.133
154 HZ3 LYS 17 2HZ LYS 17 -4.668 11.762 -8.937
155 HA PRO 18 HA PRO 18 -13.645 8.547 -5.991
156 HB2 PRO 18 1HB PRO 18 -14.721 10.317 -7.797
157 HB3 PRO 18 2HB PRO 18 -14.241 10.748 -6.153
158 HG2 PRO 18 1HG PRO 18 -12.778 11.153 -8.725
159 HG3 PRO 18 2HG PRO 18 -12.905 12.233 -7.323
160 HD2 PRO 18 1HD PRO 18 -10.710 10.733 -7.799
161 HD3 PRO 18 2HD PRO 18 -11.260 11.112 -6.154
162 H VAL 19 H VAL 19 -14.062 6.589 -6.796
163 HA VAL 19 HA VAL 19 -13.583 5.715 -9.411
164 HB VAL 19 HB VAL 19 -15.628 4.609 -7.473
165 HG11 VAL 19 1HG1 VAL 19 -15.888 3.736 -9.727
166 HG12 VAL 19 2HG1 VAL 19 -15.259 2.490 -8.649
167 HG13 VAL 19 3HG1 VAL 19 -14.178 3.309 -9.777
168 HG21 VAL 19 3HG2 VAL 19 -12.696 3.957 -7.760
169 HG22 VAL 19 1HG2 VAL 19 -13.841 3.085 -6.741
170 HG23 VAL 19 2HG2 VAL 19 -13.459 4.772 -6.395
171 H ASN 20 H ASN 20 -16.210 7.464 -8.005
172 HA ASN 20 HA ASN 20 -18.155 8.301 -8.786
173 HB2 ASN 20 1HB ASN 20 -16.679 7.896 -11.371
174 HB3 ASN 20 2HB ASN 20 -18.365 8.401 -11.387
175 HD21 ASN 20 2HD2 ASN 20 -15.106 9.300 -10.540
176 HD22 ASN 20 1HD2 ASN 20 -15.427 10.985 -10.337
177 H ASP 21 H ASP 21 -19.134 6.506 -7.797
178 HA ASP 21 HA ASP 21 -19.624 4.030 -8.969
179 HB2 ASP 21 1HB ASP 21 -21.401 5.522 -7.023
180 HB3 ASP 21 2HB ASP 21 -21.401 3.785 -7.311
181 H ARG 22 H ARG 22 -21.405 7.053 -9.120
182 HA ARG 22 HA ARG 22 -22.973 5.915 -11.340
183 HB2 ARG 22 1HB ARG 22 -23.821 8.235 -9.604
184 HB3 ARG 22 2HB ARG 22 -24.790 7.381 -10.798
185 HG2 ARG 22 1HG ARG 22 -24.469 5.320 -9.326
186 HG3 ARG 22 2HG ARG 22 -23.905 6.448 -8.090
187 HD2 ARG 22 1HD ARG 22 -26.219 6.102 -7.703
188 HD3 ARG 22 2HD ARG 22 -26.055 7.708 -8.414
189 HE ARG 22 HE ARG 22 -26.537 5.666 -10.372
190 HH11 ARG 22 1HH1 ARG 22 -28.043 7.893 -8.122
191 HH12 ARG 22 2HH1 ARG 22 -29.607 7.802 -8.889
192 HH21 ARG 22 1HH2 ARG 22 -28.592 5.556 -11.379
193 HH22 ARG 22 2HH2 ARG 22 -29.907 6.498 -10.746
194 H ARG 23 H ARG 23 -22.880 6.944 -13.254
195 HA ARG 23 HA ARG 23 -21.124 9.272 -13.443
196 HB2 ARG 23 1HB ARG 23 -22.251 7.390 -15.514
197 HB3 ARG 23 2HB ARG 23 -21.333 8.832 -15.928
198 HG2 ARG 23 1HG ARG 23 -20.184 6.805 -14.061
199 HG3 ARG 23 2HG ARG 23 -20.137 6.543 -15.804
200 HD2 ARG 23 1HD ARG 23 -18.079 7.574 -15.056
201 HD3 ARG 23 2HD ARG 23 -18.976 8.682 -16.086
202 HE ARG 23 HE ARG 23 -19.174 8.937 -13.167
203 HH11 ARG 23 1HH1 ARG 23 -18.261 10.245 -16.289
204 HH12 ARG 23 2HH1 ARG 23 -17.829 11.802 -15.645
205 HH21 ARG 23 1HH2 ARG 23 -18.600 11.020 -12.328
206 HH22 ARG 23 2HH2 ARG 23 -18.012 12.237 -13.426
207 H SER 24 H SER 24 -22.406 10.947 -12.740
208 HA SER 24 HA SER 24 -24.895 11.433 -14.204
209 HB2 SER 24 1HB SER 24 -25.288 13.142 -12.386
210 HB3 SER 24 2HB SER 24 -25.209 11.471 -11.825
211 HG SER 24 HG SER 24 -23.569 13.595 -11.269
212 H ARG 25 H ARG 25 -25.230 13.302 -15.354
213 HA ARG 25 HA ARG 25 -22.979 14.664 -16.417
214 HB2 ARG 25 1HB ARG 25 -25.903 15.433 -16.488
215 HB3 ARG 25 2HB ARG 25 -24.642 16.142 -17.485
216 HG2 ARG 25 1HG ARG 25 -24.288 14.057 -18.618
217 HG3 ARG 25 2HG ARG 25 -25.413 13.235 -17.533
218 HD2 ARG 25 1HD ARG 25 -27.214 14.725 -18.352
219 HD3 ARG 25 2HD ARG 25 -26.074 15.419 -19.503
220 HE ARG 25 HE ARG 25 -26.022 13.344 -20.661
221 HH11 ARG 25 1HH1 ARG 25 -28.355 13.468 -18.050
222 HH12 ARG 25 2HH1 ARG 25 -29.339 12.182 -18.690
223 HH21 ARG 25 1HH2 ARG 25 -27.291 11.620 -21.493
224 HH22 ARG 25 2HH2 ARG 25 -28.716 11.113 -20.630
225 H GLN 26 H GLN 26 -25.433 15.531 -14.024
226 HA GLN 26 HA GLN 26 -24.005 18.006 -13.421
227 HB2 GLN 26 1HB GLN 26 -26.613 16.944 -12.316
228 HB3 GLN 26 2HB GLN 26 -25.934 18.535 -11.997
229 HG2 GLN 26 1HG GLN 26 -26.121 19.087 -14.372
230 HG3 GLN 26 2HG GLN 26 -26.814 17.497 -14.682
231 HE21 GLN 26 2HE2 GLN 26 -27.947 20.125 -15.154
232 HE22 GLN 26 1HE2 GLN 26 -29.431 20.176 -14.256
233 H GLN 27 H GLN 27 -23.291 18.488 -11.290
234 HA GLN 27 HA GLN 27 -22.814 16.146 -9.596
235 HB2 GLN 27 1HB GLN 27 -20.723 18.157 -10.464
236 HB3 GLN 27 2HB GLN 27 -20.468 16.850 -9.315
237 HG2 GLN 27 1HG GLN 27 -20.757 15.203 -11.013
238 HG3 GLN 27 2HG GLN 27 -21.281 16.418 -12.177
239 HE21 GLN 27 2HE2 GLN 27 -19.091 14.511 -12.330
240 HE22 GLN 27 1HE2 GLN 27 -17.654 15.445 -12.582
241 H GLU 28 H GLU 28 -21.394 17.199 -7.621
242 HA GLU 28 HA GLU 28 -23.151 19.228 -6.479
243 HB2 GLU 28 1HB GLU 28 -20.860 17.745 -5.187
244 HB3 GLU 28 2HB GLU 28 -22.111 18.672 -4.372
245 HG2 GLU 28 1HG GLU 28 -23.783 17.059 -5.044
246 HG3 GLU 28 2HG GLU 28 -22.569 16.152 -5.947
247 H VAL 29 H VAL 29 -22.564 21.330 -6.466
248 HA VAL 29 HA VAL 29 -19.973 22.137 -7.386
249 HB VAL 29 HB VAL 29 -22.088 23.841 -6.053
250 HG11 VAL 29 1HG1 VAL 29 -19.742 24.581 -7.797
251 HG12 VAL 29 2HG1 VAL 29 -19.871 24.852 -6.059
252 HG13 VAL 29 3HG1 VAL 29 -20.951 25.702 -7.168
253 HG21 VAL 29 3HG2 VAL 29 -21.616 23.297 -8.984
254 HG22 VAL 29 1HG2 VAL 29 -22.758 24.471 -8.330
255 HG23 VAL 29 2HG2 VAL 29 -22.996 22.750 -8.031
256 H SER 30 H SER 30 -21.670 22.079 -4.306
257 HA SER 30 HA SER 30 -19.085 22.384 -2.934
258 HB2 SER 30 1HB SER 30 -21.856 22.561 -1.723
259 HB3 SER 30 2HB SER 30 -20.329 23.011 -0.963
260 HG SER 30 HG SER 30 -20.128 24.606 -2.689
261 HA PRO 31 HA PRO 31 -20.076 17.924 -2.699
262 HB2 PRO 31 1HB PRO 31 -17.251 17.409 -2.957
263 HB3 PRO 31 2HB PRO 31 -18.530 17.102 -4.132
264 HG2 PRO 31 1HG PRO 31 -16.562 18.975 -4.485
265 HG3 PRO 31 2HG PRO 31 -18.163 19.073 -5.239
266 HD2 PRO 31 1HD PRO 31 -17.141 20.452 -2.782
267 HD3 PRO 31 2HD PRO 31 -18.137 21.097 -4.107
268 H ALA 32 H ALA 32 -18.884 16.117 -1.400
269 HA ALA 32 HA ALA 32 -18.834 16.925 1.317
270 HB1 ALA 32 3HB ALA 32 -17.976 14.304 0.100
271 HB2 ALA 32 1HB ALA 32 -19.611 14.716 0.615
272 HB3 ALA 32 2HB ALA 32 -18.315 14.595 1.805
273 H GLY 33 H GLY 33 -16.415 16.777 -1.096
274 HA2 GLY 33 1HA GLY 33 -14.292 17.768 -0.882
275 HA3 GLY 33 2HA GLY 33 -14.423 17.614 0.865
276 H THR 34 H THR 34 -14.860 15.039 1.316
277 HA THR 34 HA THR 34 -13.025 13.405 -0.236
278 HB THR 34 HB THR 34 -12.621 13.859 2.737
279 HG1 THR 34 HG1 THR 34 -11.518 14.985 0.477
280 HG21 THR 34 3HG2 THR 34 -11.102 12.105 0.799
281 HG22 THR 34 1HG2 THR 34 -12.156 11.543 2.098
282 HG23 THR 34 2HG2 THR 34 -10.661 12.398 2.482
283 H SER 35 H SER 35 -13.485 11.214 -0.068
284 HA SER 35 HA SER 35 -16.050 10.608 1.199
285 HB2 SER 35 1HB SER 35 -14.364 8.972 -0.722
286 HB3 SER 35 2HB SER 35 -15.993 8.568 -0.180
287 HG SER 35 HG SER 35 -15.229 10.868 -1.684
288 H MET 36 H MET 36 -15.448 7.741 1.355
289 HA MET 36 HA MET 36 -13.690 7.769 3.712
290 HB2 MET 36 1HB MET 36 -15.895 5.834 2.970
291 HB3 MET 36 2HB MET 36 -14.865 5.690 4.387
292 HG2 MET 36 1HG MET 36 -15.718 7.853 5.195
293 HG3 MET 36 2HG MET 36 -16.797 7.921 3.802
294 HE1 MET 36 3HE MET 36 -17.091 4.867 7.247
295 HE2 MET 36 1HE MET 36 -15.972 6.230 7.211
296 HE3 MET 36 2HE MET 36 -15.751 4.877 6.101
297 H ARG 37 H ARG 37 -12.765 7.670 0.994
298 HA ARG 37 HA ARG 37 -11.700 4.925 0.847
299 HB2 ARG 37 1HB ARG 37 -12.027 6.987 -1.347
300 HB3 ARG 37 2HB ARG 37 -11.283 5.408 -1.553
301 HG2 ARG 37 1HG ARG 37 -13.369 4.307 -1.097
302 HG3 ARG 37 2HG ARG 37 -14.137 5.846 -0.699
303 HD2 ARG 37 1HD ARG 37 -13.806 6.618 -2.984
304 HD3 ARG 37 2HD ARG 37 -12.989 5.109 -3.390
305 HE ARG 37 HE ARG 37 -15.253 4.069 -2.716
306 HH11 ARG 37 1HH1 ARG 37 -14.879 7.212 -4.214
307 HH12 ARG 37 2HH1 ARG 37 -16.390 7.136 -5.070
308 HH21 ARG 37 1HH2 ARG 37 -17.242 3.952 -3.847
309 HH22 ARG 37 2HH2 ARG 37 -17.742 5.274 -4.864
310 H TYR 38 H TYR 38 -9.535 4.669 1.029
311 HA TYR 38 HA TYR 38 -7.836 7.031 0.702
312 HB2 TYR 38 1HB TYR 38 -7.786 5.172 3.089
313 HB3 TYR 38 2HB TYR 38 -6.531 6.352 2.726
314 HD1 TYR 38 HD2 TYR 38 -7.343 8.828 2.481
315 HD2 TYR 38 HD1 TYR 38 -9.556 5.778 4.454
316 HE1 TYR 38 HE2 TYR 38 -8.597 10.547 3.714
317 HE2 TYR 38 HE1 TYR 38 -10.820 7.486 5.689
318 HH TYR 38 HH TYR 38 -10.583 10.871 4.924
319 H GLU 39 H GLU 39 -6.334 6.585 -0.722
320 HA GLU 39 HA GLU 39 -5.538 3.785 -1.121
321 HB2 GLU 39 1HB GLU 39 -5.052 6.175 -2.906
322 HB3 GLU 39 2HB GLU 39 -4.736 4.492 -3.301
323 HG2 GLU 39 1HG GLU 39 -7.135 4.022 -3.178
324 HG3 GLU 39 2HG GLU 39 -7.438 5.723 -2.823
325 H ALA 40 H ALA 40 -3.330 3.241 -1.264
326 HA ALA 40 HA ALA 40 -1.517 5.245 -0.083
327 HB1 ALA 40 3HB ALA 40 -1.430 2.251 0.276
328 HB2 ALA 40 1HB ALA 40 -1.990 3.418 1.475
329 HB3 ALA 40 2HB ALA 40 -0.300 3.413 0.970
330 H SER 41 H SER 41 0.392 5.602 -1.072
331 HA SER 41 HA SER 41 0.803 4.308 -3.656
332 HB2 SER 41 1HB SER 41 2.360 6.616 -2.475
333 HB3 SER 41 2HB SER 41 2.271 6.133 -4.168
334 HG SER 41 HG SER 41 0.170 7.204 -2.581
335 H PHE 42 H PHE 42 2.049 2.557 -3.691
336 HA PHE 42 HA PHE 42 4.173 2.297 -1.682
337 HB2 PHE 42 1HB PHE 42 2.952 0.188 -3.477
338 HB3 PHE 42 2HB PHE 42 4.157 -0.095 -2.223
339 HD1 PHE 42 HD2 PHE 42 3.508 0.542 0.180
340 HD2 PHE 42 HD1 PHE 42 0.694 0.071 -2.976
341 HE1 PHE 42 HE2 PHE 42 1.713 0.231 1.832
342 HE2 PHE 42 HE1 PHE 42 -1.106 -0.240 -1.330
343 HZ PHE 42 HZ PHE 42 -0.598 -0.161 1.079
344 H LYS 43 H LYS 43 6.086 2.910 -2.314
345 HA LYS 43 HA LYS 43 6.713 2.956 -5.169
346 HB2 LYS 43 1HB LYS 43 6.914 5.040 -3.861
347 HB3 LYS 43 2HB LYS 43 8.124 4.272 -2.845
348 HG2 LYS 43 1HG LYS 43 9.650 4.106 -4.677
349 HG3 LYS 43 2HG LYS 43 8.416 4.661 -5.811
350 HD2 LYS 43 1HD LYS 43 8.320 6.810 -4.611
351 HD3 LYS 43 2HD LYS 43 9.613 6.253 -3.548
352 HE2 LYS 43 1HE LYS 43 11.138 6.104 -5.392
353 HE3 LYS 43 2HE LYS 43 9.851 6.467 -6.542
354 HZ1 LYS 43 3HZ LYS 43 11.113 8.438 -6.175
355 HZ2 LYS 43 1HZ LYS 43 10.980 8.287 -4.488
356 HZ3 LYS 43 2HZ LYS 43 9.609 8.646 -5.423
357 HA PRO 44 HA PRO 44 9.524 -0.491 -4.604
358 HB2 PRO 44 1HB PRO 44 10.406 0.101 -7.323
359 HB3 PRO 44 2HB PRO 44 9.556 -1.320 -6.714
360 HG2 PRO 44 1HG PRO 44 8.388 0.490 -8.352
361 HG3 PRO 44 2HG PRO 44 7.485 -0.424 -7.129
362 HD2 PRO 44 1HD PRO 44 8.488 2.396 -7.033
363 HD3 PRO 44 2HD PRO 44 6.935 1.731 -6.481
364 H LEU 45 H LEU 45 11.691 -0.692 -4.177
365 HA LEU 45 HA LEU 45 13.211 1.794 -4.101
366 HB2 LEU 45 1HB LEU 45 13.614 -0.885 -2.782
367 HB3 LEU 45 2HB LEU 45 14.772 0.427 -2.665
368 HG LEU 45 HG LEU 45 11.908 0.606 -1.728
369 HD11 LEU 45 1HD1 LEU 45 12.843 0.445 0.530
370 HD12 LEU 45 2HD1 LEU 45 14.440 0.144 -0.155
371 HD13 LEU 45 3HD1 LEU 45 13.141 -1.022 -0.402
372 HD21 LEU 45 3HD2 LEU 45 14.288 2.417 -1.327
373 HD22 LEU 45 1HD2 LEU 45 12.698 2.632 -0.594
374 HD23 LEU 45 2HD2 LEU 45 12.886 2.750 -2.345
375 H ASN 46 H ASN 46 12.967 -0.871 -6.117
376 HA ASN 46 HA ASN 46 15.804 -0.700 -6.895
377 HB2 ASN 46 1HB ASN 46 13.845 -2.979 -7.260
378 HB3 ASN 46 2HB ASN 46 15.495 -2.967 -7.871
379 HD21 ASN 46 2HD2 ASN 46 17.209 -3.181 -6.434
380 HD22 ASN 46 1HD2 ASN 46 16.973 -3.757 -4.809
381 H GLY 47 H GLY 47 13.657 1.077 -7.736
382 HA2 GLY 47 1HA GLY 47 13.353 2.182 -9.778
383 HA3 GLY 47 2HA GLY 47 13.993 0.772 -10.611
384 H GLY 48 H GLY 48 11.392 2.516 -10.629
385 HA2 GLY 48 1HA GLY 48 9.658 1.004 -11.929
386 HA3 GLY 48 2HA GLY 48 9.410 0.400 -10.297
387 H LEU 49 H LEU 49 7.323 1.495 -11.634
388 HA LEU 49 HA LEU 49 7.023 4.259 -10.796
389 HB2 LEU 49 1HB LEU 49 5.051 2.349 -12.059
390 HB3 LEU 49 2HB LEU 49 4.763 4.054 -11.773
391 HG LEU 49 HG LEU 49 6.855 2.923 -13.634
392 HD11 LEU 49 1HD1 LEU 49 5.432 3.800 -15.411
393 HD12 LEU 49 2HD1 LEU 49 4.239 4.303 -14.214
394 HD13 LEU 49 3HD1 LEU 49 4.579 2.589 -14.453
395 HD21 LEU 49 3HD2 LEU 49 7.547 5.043 -12.655
396 HD22 LEU 49 1HD2 LEU 49 6.004 5.768 -13.107
397 HD23 LEU 49 2HD2 LEU 49 7.133 5.247 -14.357
398 H GLU 50 H GLU 50 5.474 4.966 -9.281
399 HA GLU 50 HA GLU 50 5.214 3.313 -6.987
400 HB2 GLU 50 1HB GLU 50 3.878 5.943 -7.659
401 HB3 GLU 50 2HB GLU 50 3.876 5.184 -6.073
402 HG2 GLU 50 1HG GLU 50 6.304 5.388 -5.964
403 HG3 GLU 50 2HG GLU 50 6.312 6.140 -7.559
404 H LYS 51 H LYS 51 3.689 1.860 -6.529
405 HA LYS 51 HA LYS 51 1.309 1.746 -8.221
406 HB2 LYS 51 1HB LYS 51 2.457 -0.209 -6.227
407 HB3 LYS 51 2HB LYS 51 0.905 -0.438 -7.013
408 HG2 LYS 51 1HG LYS 51 2.161 -0.291 -9.216
409 HG3 LYS 51 2HG LYS 51 3.637 -0.443 -8.256
410 HD2 LYS 51 1HD LYS 51 2.868 -2.560 -7.355
411 HD3 LYS 51 2HD LYS 51 1.334 -2.394 -8.208
412 HE2 LYS 51 1HE LYS 51 2.597 -3.881 -9.510
413 HE3 LYS 51 2HE LYS 51 2.710 -2.335 -10.347
414 HZ1 LYS 51 3HZ LYS 51 4.889 -1.993 -9.411
415 HZ2 LYS 51 1HZ LYS 51 4.846 -3.492 -10.204
416 HZ3 LYS 51 2HZ LYS 51 4.774 -3.430 -8.514
417 H THR 52 H THR 52 -0.418 2.827 -7.563
418 HA THR 52 HA THR 52 -0.788 3.279 -4.687
419 HB THR 52 HB THR 52 -2.299 4.571 -6.966
420 HG1 THR 52 HG1 THR 52 -0.336 5.443 -7.226
421 HG21 THR 52 3HG2 THR 52 -3.457 4.615 -4.808
422 HG22 THR 52 1HG2 THR 52 -2.919 6.229 -5.272
423 HG23 THR 52 2HG2 THR 52 -2.026 5.320 -4.051
424 H PHE 53 H PHE 53 -1.947 1.751 -3.730
425 HA PHE 53 HA PHE 53 -4.166 0.516 -5.209
426 HB2 PHE 53 1HB PHE 53 -2.667 -0.429 -2.759
427 HB3 PHE 53 2HB PHE 53 -4.075 -1.242 -3.429
428 HD1 PHE 53 HD2 PHE 53 -3.883 -1.857 -5.977
429 HD2 PHE 53 HD1 PHE 53 -0.575 -1.129 -3.403
430 HE1 PHE 53 HE2 PHE 53 -2.429 -3.143 -7.489
431 HE2 PHE 53 HE1 PHE 53 0.885 -2.413 -4.909
432 HZ PHE 53 HZ PHE 53 -0.041 -3.424 -6.955
433 H ARG 54 H ARG 54 -6.214 0.719 -4.539
434 HA ARG 54 HA ARG 54 -6.837 2.692 -2.572
435 HB2 ARG 54 1HB ARG 54 -9.204 2.097 -3.088
436 HB3 ARG 54 2HB ARG 54 -8.256 2.537 -4.500
437 HG2 ARG 54 1HG ARG 54 -8.665 0.588 -5.470
438 HG3 ARG 54 2HG ARG 54 -8.143 -0.304 -4.039
439 HD2 ARG 54 1HD ARG 54 -10.853 0.967 -4.355
440 HD3 ARG 54 2HD ARG 54 -10.508 -0.726 -4.707
441 HE ARG 54 HE ARG 54 -9.647 -0.501 -2.178
442 HH11 ARG 54 1HH1 ARG 54 -12.648 0.435 -3.731
443 HH12 ARG 54 2HH1 ARG 54 -13.587 0.286 -2.275
444 HH21 ARG 54 1HH2 ARG 54 -10.884 -0.745 -0.282
445 HH22 ARG 54 2HH2 ARG 54 -12.590 -0.379 -0.306
446 H LEU 55 H LEU 55 -7.426 2.450 -0.513
447 HA LEU 55 HA LEU 55 -7.640 -0.297 0.522
448 HB2 LEU 55 1HB LEU 55 -6.355 2.111 1.812
449 HB3 LEU 55 2HB LEU 55 -6.598 0.566 2.605
450 HG LEU 55 HG LEU 55 -4.880 0.991 0.160
451 HD11 LEU 55 1HD1 LEU 55 -4.110 0.601 3.049
452 HD12 LEU 55 2HD1 LEU 55 -3.933 2.088 2.118
453 HD13 LEU 55 3HD1 LEU 55 -2.996 0.659 1.682
454 HD21 LEU 55 3HD2 LEU 55 -5.247 -1.400 1.961
455 HD22 LEU 55 1HD2 LEU 55 -4.097 -1.277 0.628
456 HD23 LEU 55 2HD2 LEU 55 -5.830 -1.249 0.303
457 H GLN 56 H GLN 56 -8.911 -0.576 2.401
458 HA GLN 56 HA GLN 56 -11.198 1.184 2.597
459 HB2 GLN 56 1HB GLN 56 -11.388 -1.303 2.693
460 HB3 GLN 56 2HB GLN 56 -10.469 -1.290 4.188
461 HG2 GLN 56 1HG GLN 56 -12.256 0.042 5.238
462 HG3 GLN 56 2HG GLN 56 -13.186 -0.077 3.745
463 HE21 GLN 56 2HE2 GLN 56 -14.870 -1.184 4.727
464 HE22 GLN 56 1HE2 GLN 56 -14.725 -2.829 5.252
465 H ALA 57 H ALA 57 -11.840 2.172 4.639
466 HA ALA 57 HA ALA 57 -9.842 3.662 5.872
467 HB1 ALA 57 3HB ALA 57 -11.524 4.314 7.500
468 HB2 ALA 57 1HB ALA 57 -12.548 2.966 7.005
469 HB3 ALA 57 2HB ALA 57 -12.212 4.281 5.877
470 H GLN 58 H GLN 58 -11.218 0.570 6.792
471 HA GLN 58 HA GLN 58 -10.040 0.440 9.376
472 HB2 GLN 58 1HB GLN 58 -11.067 -1.770 7.587
473 HB3 GLN 58 2HB GLN 58 -10.664 -1.950 9.290
474 HG2 GLN 58 1HG GLN 58 -12.420 -0.420 9.910
475 HG3 GLN 58 2HG GLN 58 -12.781 -0.102 8.215
476 HE21 GLN 58 2HE2 GLN 58 -14.491 -1.138 10.333
477 HE22 GLN 58 1HE2 GLN 58 -15.088 -2.660 9.765
478 H GLN 59 H GLN 59 -8.838 -0.065 6.215
479 HA GLN 59 HA GLN 59 -6.596 -1.702 7.096
480 HB2 GLN 59 1HB GLN 59 -7.207 -0.521 4.378
481 HB3 GLN 59 2HB GLN 59 -5.909 -1.652 4.735
482 HG2 GLN 59 1HG GLN 59 -7.559 -3.343 5.358
483 HG3 GLN 59 2HG GLN 59 -8.855 -2.208 4.984
484 HE21 GLN 59 2HE2 GLN 59 -6.377 -4.256 3.688
485 HE22 GLN 59 1HE2 GLN 59 -6.912 -4.207 2.048
486 H TYR 60 H TYR 60 -7.225 1.518 5.766
487 HA TYR 60 HA TYR 60 -4.537 2.393 5.803
488 HB2 TYR 60 1HB TYR 60 -6.351 3.439 4.448
489 HB3 TYR 60 2HB TYR 60 -7.045 4.085 5.931
490 HD1 TYR 60 HD1 TYR 60 -4.019 4.181 3.786
491 HD2 TYR 60 HD2 TYR 60 -6.262 6.112 6.842
492 HE1 TYR 60 HE1 TYR 60 -2.570 6.158 3.591
493 HE2 TYR 60 HE2 TYR 60 -4.821 8.094 6.656
494 HH TYR 60 HH TYR 60 -2.506 8.617 5.890
495 H HIS 61 H HIS 61 -6.867 2.004 8.269
496 HA HIS 61 HA HIS 61 -6.033 3.913 10.148
497 HB2 HIS 61 1HB HIS 61 -8.119 2.594 10.329
498 HB3 HIS 61 2HB HIS 61 -7.166 1.149 10.645
499 HD1 HIS 61 HD1 HIS 61 -6.374 0.762 13.015
500 HD2 HIS 61 HD2 HIS 61 -8.125 4.498 12.470
501 HE1 HIS 61 HE1 HIS 61 -6.661 1.720 15.321
502 HE2 HIS 61 HE2 HIS 61 -7.913 3.880 14.978
503 H ALA 62 H ALA 62 -4.547 0.987 9.074
504 HA ALA 62 HA ALA 62 -2.655 1.068 11.327
505 HB1 ALA 62 3HB ALA 62 -2.058 -1.214 10.735
506 HB2 ALA 62 1HB ALA 62 -3.155 -1.159 9.356
507 HB3 ALA 62 2HB ALA 62 -3.796 -1.075 10.996
508 H LEU 63 H LEU 63 -2.948 2.237 8.289
509 HA LEU 63 HA LEU 63 -0.391 1.480 7.204
510 HB2 LEU 63 1HB LEU 63 -2.749 2.941 6.293
511 HB3 LEU 63 2HB LEU 63 -1.247 3.661 5.746
512 HG LEU 63 HG LEU 63 -2.210 2.080 4.110
513 HD11 LEU 63 1HD1 LEU 63 -0.157 0.831 3.675
514 HD12 LEU 63 2HD1 LEU 63 0.416 1.204 5.302
515 HD13 LEU 63 3HD1 LEU 63 0.188 2.501 4.128
516 HD21 LEU 63 3HD2 LEU 63 -3.238 0.507 5.662
517 HD22 LEU 63 1HD2 LEU 63 -1.644 0.007 6.225
518 HD23 LEU 63 2HD2 LEU 63 -2.134 -0.322 4.564
519 H THR 64 H THR 64 1.480 2.554 7.303
520 HA THR 64 HA THR 64 1.477 5.187 8.621
521 HB THR 64 HB THR 64 3.664 3.116 8.880
522 HG1 THR 64 HG1 THR 64 1.250 3.149 10.030
523 HG21 THR 64 3HG2 THR 64 4.391 4.520 10.757
524 HG22 THR 64 1HG2 THR 64 3.070 5.642 10.432
525 HG23 THR 64 2HG2 THR 64 4.363 5.437 9.250
526 H VAL 65 H VAL 65 2.097 6.707 7.216
527 HA VAL 65 HA VAL 65 3.478 6.184 4.807
528 HB VAL 65 HB VAL 65 2.993 8.769 6.292
529 HG11 VAL 65 1HG1 VAL 65 5.019 9.009 4.945
530 HG12 VAL 65 2HG1 VAL 65 3.687 9.934 4.251
531 HG13 VAL 65 3HG1 VAL 65 4.161 8.394 3.532
532 HG21 VAL 65 3HG2 VAL 65 1.771 7.585 3.803
533 HG22 VAL 65 1HG2 VAL 65 1.363 9.151 4.507
534 HG23 VAL 65 2HG2 VAL 65 1.013 7.666 5.395
535 H GLY 66 H GLY 66 5.564 5.991 4.375
536 HA2 GLY 66 1HA GLY 66 7.868 6.428 4.642
537 HA3 GLY 66 2HA GLY 66 7.549 6.995 6.275
538 H ASP 67 H ASP 67 5.789 4.393 6.436
539 HA ASP 67 HA ASP 67 7.872 2.906 7.743
540 HB2 ASP 67 1HB ASP 67 5.549 2.985 8.644
541 HB3 ASP 67 2HB ASP 67 5.015 2.038 7.258
542 H GLN 68 H GLN 68 9.309 2.231 6.249
543 HA GLN 68 HA GLN 68 8.702 0.749 3.928
544 HB2 GLN 68 1HB GLN 68 11.164 0.558 5.682
545 HB3 GLN 68 2HB GLN 68 11.035 0.012 4.015
546 HG2 GLN 68 1HG GLN 68 10.719 2.290 3.262
547 HG3 GLN 68 2HG GLN 68 10.751 2.864 4.928
548 HE21 GLN 68 2HE2 GLN 68 12.460 3.600 2.718
549 HE22 GLN 68 1HE2 GLN 68 14.081 3.226 3.196
550 H GLY 69 H GLY 69 7.899 -1.246 3.734
551 HA2 GLY 69 1HA GLY 69 8.365 -3.288 5.717
552 HA3 GLY 69 2HA GLY 69 6.734 -2.634 5.746
553 H THR 70 H THR 70 6.233 -4.940 5.252
554 HA THR 70 HA THR 70 7.058 -5.843 2.603
555 HB THR 70 HB THR 70 5.534 -7.377 4.714
556 HG1 THR 70 HG1 THR 70 7.949 -6.493 4.923
557 HG21 THR 70 3HG2 THR 70 5.373 -8.327 2.463
558 HG22 THR 70 1HG2 THR 70 6.370 -9.346 3.502
559 HG23 THR 70 2HG2 THR 70 7.131 -8.288 2.313
560 H LEU 71 H LEU 71 5.755 -5.947 0.911
561 HA LEU 71 HA LEU 71 2.871 -5.488 1.309
562 HB2 LEU 71 1HB LEU 71 3.922 -3.618 0.179
563 HB3 LEU 71 2HB LEU 71 4.683 -4.697 -0.974
564 HG LEU 71 HG LEU 71 2.440 -5.291 -1.853
565 HD11 LEU 71 1HD1 LEU 71 1.495 -3.112 0.001
566 HD12 LEU 71 2HD1 LEU 71 1.121 -4.830 0.132
567 HD13 LEU 71 3HD1 LEU 71 0.524 -3.901 -1.243
568 HD21 LEU 71 3HD2 LEU 71 3.092 -2.346 -1.855
569 HD22 LEU 71 1HD2 LEU 71 2.059 -3.174 -3.020
570 HD23 LEU 71 2HD2 LEU 71 3.778 -3.563 -2.931
571 H SER 72 H SER 72 1.592 -7.111 0.730
572 HA SER 72 HA SER 72 2.624 -9.180 -1.111
573 HB2 SER 72 1HB SER 72 0.313 -9.370 0.841
574 HB3 SER 72 2HB SER 72 1.030 -10.690 -0.082
575 HG SER 72 HG SER 72 2.745 -9.217 1.535
576 H TYR 73 H TYR 73 2.004 -8.549 -3.126
577 HA TYR 73 HA TYR 73 -0.888 -8.299 -3.507
578 HB2 TYR 73 1HB TYR 73 -0.674 -6.517 -5.103
579 HB3 TYR 73 2HB TYR 73 0.119 -6.027 -3.615
580 HD1 TYR 73 HD1 TYR 73 2.698 -6.216 -3.540
581 HD2 TYR 73 HD2 TYR 73 0.431 -6.402 -7.133
582 HE1 TYR 73 HE1 TYR 73 4.700 -5.594 -4.832
583 HE2 TYR 73 HE2 TYR 73 2.423 -5.790 -8.433
584 HH TYR 73 HH TYR 73 5.538 -5.862 -7.202
585 H LYS 74 H LYS 74 -1.689 -9.141 -5.412
586 HA LYS 74 HA LYS 74 0.180 -11.002 -6.724
587 HB2 LYS 74 1HB LYS 74 -1.652 -11.981 -5.302
588 HB3 LYS 74 2HB LYS 74 -2.815 -11.281 -6.416
589 HG2 LYS 74 1HG LYS 74 -1.896 -12.644 -8.228
590 HG3 LYS 74 2HG LYS 74 -0.738 -13.353 -7.098
591 HD2 LYS 74 1HD LYS 74 -3.746 -13.527 -6.896
592 HD3 LYS 74 2HD LYS 74 -2.668 -14.821 -7.426
593 HE2 LYS 74 1HE LYS 74 -1.645 -14.937 -5.260
594 HE3 LYS 74 2HE LYS 74 -2.513 -13.502 -4.720
595 HZ1 LYS 74 3HZ LYS 74 -3.505 -15.545 -3.878
596 HZ2 LYS 74 1HZ LYS 74 -3.779 -16.088 -5.460
597 HZ3 LYS 74 2HZ LYS 74 -4.583 -14.709 -4.883
598 H GLY 75 H GLY 75 0.775 -10.016 -8.570
599 HA2 GLY 75 1HA GLY 75 0.567 -9.184 -10.709
600 HA3 GLY 75 2HA GLY 75 -1.152 -9.557 -10.629
601 H THR 76 H THR 76 -2.457 -7.873 -10.709
602 HA THR 76 HA THR 76 -1.452 -5.266 -9.792
603 HB THR 76 HB THR 76 -3.431 -4.391 -11.166
604 HG1 THR 76 HG1 THR 76 -4.210 -5.819 -12.750
605 HG21 THR 76 3HG2 THR 76 -1.160 -5.795 -12.582
606 HG22 THR 76 1HG2 THR 76 -1.118 -4.165 -11.911
607 HG23 THR 76 2HG2 THR 76 -2.172 -4.528 -13.277
608 H ARG 77 H ARG 77 -2.914 -7.671 -8.441
609 HA ARG 77 HA ARG 77 -5.207 -6.186 -7.348
610 HB2 ARG 77 1HB ARG 77 -5.433 -8.484 -8.544
611 HB3 ARG 77 2HB ARG 77 -4.772 -9.147 -7.060
612 HG2 ARG 77 1HG ARG 77 -7.200 -7.392 -7.040
613 HG3 ARG 77 2HG ARG 77 -7.309 -9.121 -7.360
614 HD2 ARG 77 1HD ARG 77 -5.978 -9.381 -5.165
615 HD3 ARG 77 2HD ARG 77 -6.458 -7.711 -4.856
616 HE ARG 77 HE ARG 77 -8.670 -9.377 -5.586
617 HH11 ARG 77 1HH1 ARG 77 -6.680 -8.323 -2.899
618 HH12 ARG 77 2HH1 ARG 77 -7.832 -8.835 -1.696
619 HH21 ARG 77 1HH2 ARG 77 -10.175 -10.014 -4.029
620 HH22 ARG 77 2HH2 ARG 77 -9.837 -9.760 -2.337
621 H PHE 78 H PHE 78 -4.708 -5.220 -5.517
622 HA PHE 78 HA PHE 78 -2.585 -5.890 -3.791
623 HB2 PHE 78 1HB PHE 78 -3.547 -3.655 -3.834
624 HB3 PHE 78 2HB PHE 78 -5.102 -4.278 -3.301
625 HD1 PHE 78 HD2 PHE 78 -1.678 -3.466 -2.285
626 HD2 PHE 78 HD1 PHE 78 -5.499 -4.823 -0.994
627 HE1 PHE 78 HE2 PHE 78 -1.026 -3.072 0.054
628 HE2 PHE 78 HE1 PHE 78 -4.853 -4.431 1.346
629 HZ PHE 78 HZ PHE 78 -2.612 -3.555 1.872
630 H VAL 79 H VAL 79 -2.427 -7.351 -2.178
631 HA VAL 79 HA VAL 79 -4.881 -8.774 -1.403
632 HB VAL 79 HB VAL 79 -2.002 -9.665 -1.136
633 HG11 VAL 79 1HG1 VAL 79 -2.943 -11.828 -0.460
634 HG12 VAL 79 2HG1 VAL 79 -4.562 -11.131 -0.496
635 HG13 VAL 79 3HG1 VAL 79 -3.376 -10.547 0.672
636 HG21 VAL 79 3HG2 VAL 79 -2.769 -9.676 -3.445
637 HG22 VAL 79 1HG2 VAL 79 -4.202 -10.595 -2.981
638 HG23 VAL 79 2HG2 VAL 79 -2.603 -11.326 -2.844
639 H GLY 80 H GLY 80 -1.775 -7.730 0.052
640 HA2 GLY 80 1HA GLY 80 -3.128 -6.395 2.187
641 HA3 GLY 80 2HA GLY 80 -2.473 -7.939 2.706
642 H PHE 81 H PHE 81 -1.821 -5.048 3.307
643 HA PHE 81 HA PHE 81 1.063 -5.215 2.743
644 HB2 PHE 81 1HB PHE 81 0.085 -3.163 1.843
645 HB3 PHE 81 2HB PHE 81 -0.617 -2.784 3.413
646 HD1 PHE 81 HD2 PHE 81 2.624 -3.268 1.667
647 HD2 PHE 81 HD1 PHE 81 0.589 -1.553 4.987
648 HE1 PHE 81 HE2 PHE 81 4.668 -2.049 2.286
649 HE2 PHE 81 HE1 PHE 81 2.632 -0.333 5.613
650 HZ PHE 81 HZ PHE 81 4.675 -0.581 4.262
651 H VAL 82 H VAL 82 2.466 -5.250 4.427
652 HA VAL 82 HA VAL 82 1.274 -5.178 7.120
653 HB VAL 82 HB VAL 82 3.528 -6.977 6.206
654 HG11 VAL 82 1HG1 VAL 82 3.267 -8.038 8.405
655 HG12 VAL 82 2HG1 VAL 82 2.065 -6.822 8.839
656 HG13 VAL 82 3HG1 VAL 82 3.736 -6.343 8.540
657 HG21 VAL 82 3HG2 VAL 82 1.405 -7.692 5.250
658 HG22 VAL 82 1HG2 VAL 82 0.661 -7.664 6.849
659 HG23 VAL 82 2HG2 VAL 82 1.942 -8.822 6.493
660 H SER 83 H SER 83 1.928 -3.183 7.798
661 HA SER 83 HA SER 83 4.455 -2.041 7.507
662 HB2 SER 83 1HB SER 83 2.545 -1.867 9.859
663 HB3 SER 83 2HB SER 83 3.913 -0.788 9.584
664 HG SER 83 HG SER 83 2.906 -0.231 7.568
665 H ARG 84 H ARG 84 6.402 -2.486 8.407
666 HA ARG 84 HA ARG 84 6.798 -5.163 9.013
667 HB2 ARG 84 1HB ARG 84 8.465 -3.460 8.083
668 HB3 ARG 84 2HB ARG 84 8.784 -3.041 9.762
669 HG2 ARG 84 1HG ARG 84 9.518 -5.270 10.243
670 HG3 ARG 84 2HG ARG 84 9.041 -5.818 8.635
671 HD2 ARG 84 1HD ARG 84 10.679 -4.084 7.743
672 HD3 ARG 84 2HD ARG 84 11.288 -3.977 9.395
673 HE ARG 84 HE ARG 84 11.289 -6.656 8.811
674 HH11 ARG 84 1HH1 ARG 84 12.731 -3.791 7.395
675 HH12 ARG 84 2HH1 ARG 84 14.118 -4.641 6.786
676 HH21 ARG 84 1HH2 ARG 84 13.082 -7.781 7.974
677 HH22 ARG 84 2HH2 ARG 84 14.312 -6.925 7.101
678 H THR 85 H THR 85 7.356 -2.465 11.238
679 HA THR 85 HA THR 85 7.483 -2.351 13.503
680 HB THR 85 HB THR 85 5.160 -4.268 13.350
681 HG1 THR 85 HG1 THR 85 4.613 -2.575 12.063
682 HG21 THR 85 3HG2 THR 85 4.424 -3.141 15.413
683 HG22 THR 85 1HG2 THR 85 5.901 -2.178 15.405
684 HG23 THR 85 2HG2 THR 85 5.989 -3.925 15.626
685 HA PRO 86 HA PRO 86 9.894 -6.246 14.123
686 HB2 PRO 86 1HB PRO 86 11.707 -4.364 15.480
687 HB3 PRO 86 2HB PRO 86 12.055 -5.524 14.195
688 HG2 PRO 86 1HG PRO 86 12.027 -2.873 13.745
689 HG3 PRO 86 2HG PRO 86 11.494 -4.040 12.521
690 HD2 PRO 86 1HD PRO 86 9.853 -2.329 14.352
691 HD3 PRO 86 2HD PRO 86 9.590 -2.721 12.639
692 H ASP 87 H ASP 87 10.345 -7.325 16.110
693 HA ASP 87 HA ASP 87 8.557 -6.869 18.204
694 HB2 ASP 87 1HB ASP 87 9.847 -9.006 17.690
695 HB3 ASP 87 2HB ASP 87 11.215 -8.271 18.516
696 H ASN 88 H ASN 88 12.020 -6.158 18.011
697 HA ASN 88 HA ASN 88 13.245 -4.387 18.753
698 HB2 ASN 88 1HB ASN 88 11.113 -3.247 17.761
699 HB3 ASN 88 2HB ASN 88 10.712 -2.925 19.442
700 HD21 ASN 88 2HD2 ASN 88 12.002 -1.498 20.624
701 HD22 ASN 88 1HD2 ASN 88 13.060 -0.371 19.842
702 H GLU 89 H GLU 89 12.469 -6.471 20.592
703 HA GLU 89 HA GLU 89 11.769 -5.399 23.121
704 HB2 GLU 89 1HB GLU 89 11.513 -7.786 22.414
705 HB3 GLU 89 2HB GLU 89 13.257 -7.961 22.529
706 HG2 GLU 89 1HG GLU 89 12.185 -8.852 24.495
707 HG3 GLU 89 2HG GLU 89 13.149 -7.435 24.913
708 H LEU 90 H LEU 90 14.774 -5.757 21.419
709 HA LEU 90 HA LEU 90 16.526 -5.611 23.643
710 HB2 LEU 90 1HB LEU 90 17.157 -6.475 21.408
711 HB3 LEU 90 2HB LEU 90 17.043 -4.848 20.768
712 HG LEU 90 HG LEU 90 18.889 -4.145 22.244
713 HD11 LEU 90 1HD1 LEU 90 18.554 -5.740 24.054
714 HD12 LEU 90 2HD1 LEU 90 20.201 -5.835 23.431
715 HD13 LEU 90 3HD1 LEU 90 19.018 -7.064 22.987
716 HD21 LEU 90 3HD2 LEU 90 20.671 -5.345 21.068
717 HD22 LEU 90 1HD2 LEU 90 19.372 -4.871 19.974
718 HD23 LEU 90 2HD2 LEU 90 19.499 -6.543 20.520
719 H GLU 91 H GLU 91 14.974 -3.218 21.628
720 HA GLU 91 HA GLU 91 16.307 -1.050 23.071
721 HB2 GLU 91 1HB GLU 91 16.228 -0.898 20.618
722 HB3 GLU 91 2HB GLU 91 14.477 -1.008 20.655
723 HG2 GLU 91 1HG GLU 91 15.508 1.173 22.279
724 HG3 GLU 91 2HG GLU 91 15.955 1.298 20.577
725 H HIS 92 H HIS 92 15.346 -0.369 24.875
726 HA HIS 92 HA HIS 92 12.840 -1.636 25.543
727 HB2 HIS 92 1HB HIS 92 14.763 -0.019 27.216
728 HB3 HIS 92 2HB HIS 92 13.340 -0.847 27.844
729 HD1 HIS 92 HD1 HIS 92 13.359 -3.561 27.319
730 HD2 HIS 92 HD2 HIS 92 17.002 -1.550 27.229
731 HE1 HIS 92 HE1 HIS 92 15.124 -5.339 27.536
732 HE2 HIS 92 HE2 HIS 92 17.314 -4.119 27.249
733 H HIS 93 H HIS 93 12.643 0.626 23.693
734 HA HIS 93 HA HIS 93 10.588 2.029 25.291
735 HB2 HIS 93 1HB HIS 93 11.955 3.029 22.778
736 HB3 HIS 93 2HB HIS 93 10.670 3.859 23.642
737 HD1 HIS 93 HD1 HIS 93 11.323 5.300 25.598
738 HD2 HIS 93 HD2 HIS 93 14.477 3.021 24.128
739 HE1 HIS 93 HE1 HIS 93 13.394 6.221 26.690
740 HE2 HIS 93 HE2 HIS 93 15.269 4.736 25.901
741 H HIS 94 H HIS 94 11.322 -0.165 22.904
742 HA HIS 94 HA HIS 94 10.115 -1.437 21.476
743 HB2 HIS 94 1HB HIS 94 8.206 -1.096 23.145
744 HB3 HIS 94 2HB HIS 94 7.633 0.170 22.064
745 HD1 HIS 94 HD1 HIS 94 6.141 -0.565 20.199
746 HD2 HIS 94 HD2 HIS 94 8.328 -3.717 21.820
747 HE1 HIS 94 HE1 HIS 94 5.271 -2.644 19.086
748 HE2 HIS 94 HE2 HIS 94 6.470 -4.547 20.220
749 H HIS 95 H HIS 95 10.012 1.988 21.392
750 HA HIS 95 HA HIS 95 10.754 1.952 18.628
751 HB2 HIS 95 1HB HIS 95 8.057 2.844 19.419
752 HB3 HIS 95 2HB HIS 95 8.948 3.989 18.419
753 HD1 HIS 95 HD1 HIS 95 10.411 1.482 16.877
754 HD2 HIS 95 HD2 HIS 95 6.339 2.274 17.243
755 HE1 HIS 95 HE1 HIS 95 9.314 0.330 14.925
756 HE2 HIS 95 HE2 HIS 95 6.845 0.756 15.201
757 H HIS 96 H HIS 96 11.737 3.958 17.986
758 HA HIS 96 HA HIS 96 13.257 4.996 20.152
759 HB2 HIS 96 1HB HIS 96 13.165 5.850 17.252
760 HB3 HIS 96 2HB HIS 96 14.346 6.418 18.427
761 HD1 HIS 96 HD1 HIS 96 16.366 4.959 18.838
762 HD2 HIS 96 HD2 HIS 96 13.428 3.072 16.579
763 HE1 HIS 96 HE1 HIS 96 17.398 2.809 18.040
764 HE2 HIS 96 HE2 HIS 96 15.527 1.592 16.863
765 H HIS 97 H HIS 97 12.806 6.604 21.440
766 HA HIS 97 HA HIS 97 10.718 8.525 20.750
767 HB2 HIS 97 1HB HIS 97 10.609 7.490 22.973
768 HB3 HIS 97 2HB HIS 97 12.236 8.051 23.334
769 HD1 HIS 97 HD1 HIS 97 12.527 10.606 23.812
770 HD2 HIS 97 HD2 HIS 97 8.587 9.355 23.362
771 HE1 HIS 97 HE1 HIS 97 11.115 12.479 24.720
772 HE2 HIS 97 HE2 HIS 97 8.750 11.622 24.608
Start of MODEL 10
1 H1 MET 1 1H MET 1 13.295 -17.362 -6.156
2 H2 MET 1 2H MET 1 13.497 -16.888 -4.543
3 H3 MET 1 3H MET 1 14.067 -15.896 -5.792
4 HA MET 1 HA MET 1 12.013 -15.063 -4.812
5 HB2 MET 1 1HB MET 1 11.980 -15.989 -7.682
6 HB3 MET 1 2HB MET 1 10.699 -14.990 -7.011
7 HG2 MET 1 1HG MET 1 13.614 -14.253 -7.119
8 HG3 MET 1 2HG MET 1 12.366 -13.679 -8.223
9 HE1 MET 1 3HE MET 1 9.915 -13.344 -6.158
10 HE2 MET 1 1HE MET 1 10.287 -12.180 -7.428
11 HE3 MET 1 2HE MET 1 10.063 -11.632 -5.767
12 H ALA 2 H ALA 2 9.514 -15.444 -5.685
13 HA ALA 2 HA ALA 2 8.710 -18.201 -5.265
14 HB1 ALA 2 3HB ALA 2 7.846 -15.985 -3.398
15 HB2 ALA 2 1HB ALA 2 8.904 -17.332 -2.982
16 HB3 ALA 2 2HB ALA 2 7.218 -17.633 -3.399
17 HA PRO 3 HA PRO 3 5.277 -17.086 -7.927
18 HB2 PRO 3 1HB PRO 3 3.450 -18.135 -5.823
19 HB3 PRO 3 2HB PRO 3 3.545 -18.549 -7.538
20 HG2 PRO 3 1HG PRO 3 4.479 -20.217 -5.686
21 HG3 PRO 3 2HG PRO 3 5.329 -19.998 -7.226
22 HD2 PRO 3 1HD PRO 3 5.996 -18.924 -4.521
23 HD3 PRO 3 2HD PRO 3 7.078 -19.496 -5.807
24 H LEU 4 H LEU 4 4.886 -16.433 -4.473
25 HA LEU 4 HA LEU 4 3.245 -14.102 -4.918
26 HB2 LEU 4 1HB LEU 4 3.046 -15.501 -2.873
27 HB3 LEU 4 2HB LEU 4 4.669 -15.025 -2.420
28 HG LEU 4 HG LEU 4 3.859 -12.648 -2.369
29 HD11 LEU 4 1HD1 LEU 4 1.170 -13.998 -2.551
30 HD12 LEU 4 2HD1 LEU 4 1.876 -12.912 -3.747
31 HD13 LEU 4 3HD1 LEU 4 1.445 -12.303 -2.148
32 HD21 LEU 4 3HD2 LEU 4 2.583 -14.627 -0.488
33 HD22 LEU 4 1HD2 LEU 4 2.812 -12.907 -0.175
34 HD23 LEU 4 2HD2 LEU 4 4.211 -13.965 -0.354
35 H GLN 5 H GLN 5 4.015 -12.166 -5.426
36 HA GLN 5 HA GLN 5 6.872 -11.703 -5.363
37 HB2 GLN 5 1HB GLN 5 4.572 -10.033 -6.390
38 HB3 GLN 5 2HB GLN 5 6.263 -9.565 -6.508
39 HG2 GLN 5 1HG GLN 5 5.140 -12.091 -7.687
40 HG3 GLN 5 2HG GLN 5 5.305 -10.576 -8.573
41 HE21 GLN 5 2HE2 GLN 5 6.561 -13.237 -8.933
42 HE22 GLN 5 1HE2 GLN 5 8.266 -12.931 -8.942
43 H GLN 6 H GLN 6 7.758 -11.027 -3.547
44 HA GLN 6 HA GLN 6 6.213 -9.265 -1.778
45 HB2 GLN 6 1HB GLN 6 8.601 -11.024 -1.205
46 HB3 GLN 6 2HB GLN 6 7.881 -9.926 -0.038
47 HG2 GLN 6 1HG GLN 6 5.774 -11.169 -0.181
48 HG3 GLN 6 2HG GLN 6 6.521 -12.280 -1.329
49 HE21 GLN 6 2HE2 GLN 6 5.375 -12.763 1.328
50 HE22 GLN 6 1HE2 GLN 6 6.634 -13.498 2.264
51 H LYS 7 H LYS 7 6.654 -7.198 -2.064
52 HA LYS 7 HA LYS 7 9.463 -6.402 -2.495
53 HB2 LYS 7 1HB LYS 7 6.904 -5.042 -3.349
54 HB3 LYS 7 2HB LYS 7 8.475 -4.259 -3.400
55 HG2 LYS 7 1HG LYS 7 7.739 -6.757 -4.904
56 HG3 LYS 7 2HG LYS 7 7.761 -5.128 -5.579
57 HD2 LYS 7 1HD LYS 7 10.174 -4.981 -4.982
58 HD3 LYS 7 2HD LYS 7 10.104 -6.674 -4.482
59 HE2 LYS 7 1HE LYS 7 9.579 -5.580 -7.244
60 HE3 LYS 7 2HE LYS 7 10.969 -6.537 -6.734
61 HZ1 LYS 7 3HZ LYS 7 9.423 -7.943 -7.875
62 HZ2 LYS 7 1HZ LYS 7 8.142 -7.452 -6.873
63 HZ3 LYS 7 2HZ LYS 7 9.418 -8.372 -6.234
64 H GLN 8 H GLN 8 10.369 -5.045 -1.021
65 HA GLN 8 HA GLN 8 8.688 -4.078 1.150
66 HB2 GLN 8 1HB GLN 8 11.678 -3.879 0.719
67 HB3 GLN 8 2HB GLN 8 10.830 -3.252 2.127
68 HG2 GLN 8 1HG GLN 8 10.016 -5.576 2.564
69 HG3 GLN 8 2HG GLN 8 11.091 -6.124 1.279
70 HE21 GLN 8 2HE2 GLN 8 11.076 -6.754 4.126
71 HE22 GLN 8 1HE2 GLN 8 12.640 -6.319 4.719
72 H VAL 9 H VAL 9 7.545 -2.347 0.668
73 HA VAL 9 HA VAL 9 8.680 -0.408 -1.233
74 HB VAL 9 HB VAL 9 6.312 0.240 -1.694
75 HG11 VAL 9 1HG1 VAL 9 7.014 -2.651 -2.197
76 HG12 VAL 9 2HG1 VAL 9 7.514 -1.274 -3.178
77 HG13 VAL 9 3HG1 VAL 9 5.808 -1.715 -3.081
78 HG21 VAL 9 3HG2 VAL 9 5.690 -2.211 -0.046
79 HG22 VAL 9 1HG2 VAL 9 4.528 -1.305 -1.016
80 HG23 VAL 9 2HG2 VAL 9 5.299 -0.545 0.376
81 H VAL 10 H VAL 10 7.802 1.807 -1.034
82 HA VAL 10 HA VAL 10 7.832 2.664 1.773
83 HB VAL 10 HB VAL 10 8.159 4.338 -0.726
84 HG11 VAL 10 1HG1 VAL 10 9.040 6.039 0.807
85 HG12 VAL 10 2HG1 VAL 10 8.667 4.987 2.173
86 HG13 VAL 10 3HG1 VAL 10 7.364 5.622 1.167
87 HG21 VAL 10 3HG2 VAL 10 10.302 3.326 1.133
88 HG22 VAL 10 1HG2 VAL 10 10.534 4.386 -0.260
89 HG23 VAL 10 2HG2 VAL 10 9.990 2.724 -0.497
90 H VAL 11 H VAL 11 5.851 3.061 2.639
91 HA VAL 11 HA VAL 11 3.595 3.825 1.050
92 HB VAL 11 HB VAL 11 3.957 4.221 4.029
93 HG11 VAL 11 1HG1 VAL 11 1.507 4.160 4.090
94 HG12 VAL 11 2HG1 VAL 11 1.472 4.019 2.331
95 HG13 VAL 11 3HG1 VAL 11 2.102 5.483 3.087
96 HG21 VAL 11 3HG2 VAL 11 2.827 1.844 2.552
97 HG22 VAL 11 1HG2 VAL 11 2.803 2.072 4.301
98 HG23 VAL 11 2HG2 VAL 11 4.340 1.886 3.458
99 H SER 12 H SER 12 3.995 5.633 -0.140
100 HA SER 12 HA SER 12 5.726 7.681 0.809
101 HB2 SER 12 1HB SER 12 5.010 8.827 -1.355
102 HB3 SER 12 2HB SER 12 5.786 7.252 -1.516
103 HG SER 12 HG SER 12 3.853 7.524 -2.802
104 H ASN 13 H ASN 13 2.228 7.534 0.248
105 HA ASN 13 HA ASN 13 1.590 9.296 2.341
106 HB2 ASN 13 1HB ASN 13 2.666 10.966 0.837
107 HB3 ASN 13 2HB ASN 13 1.495 10.565 -0.412
108 HD21 ASN 13 2HD2 ASN 13 0.623 12.572 -0.551
109 HD22 ASN 13 1HD2 ASN 13 -0.326 13.293 0.709
110 H LYS 14 H LYS 14 -0.699 9.738 2.446
111 HA LYS 14 HA LYS 14 -2.421 7.870 1.131
112 HB2 LYS 14 1HB LYS 14 -4.233 9.102 2.218
113 HB3 LYS 14 2HB LYS 14 -2.930 8.835 3.368
114 HG2 LYS 14 1HG LYS 14 -2.158 11.118 3.062
115 HG3 LYS 14 2HG LYS 14 -3.409 11.394 1.849
116 HD2 LYS 14 1HD LYS 14 -5.134 11.023 3.540
117 HD3 LYS 14 2HD LYS 14 -3.887 10.726 4.754
118 HE2 LYS 14 1HE LYS 14 -4.382 13.297 3.256
119 HE3 LYS 14 2HE LYS 14 -4.702 12.992 4.963
120 HZ1 LYS 14 3HZ LYS 14 -2.060 13.134 3.627
121 HZ2 LYS 14 1HZ LYS 14 -2.269 12.576 5.210
122 HZ3 LYS 14 2HZ LYS 14 -2.670 14.176 4.813
123 H ARG 15 H ARG 15 -3.910 8.321 -0.550
124 HA ARG 15 HA ARG 15 -3.913 10.934 -1.767
125 HB2 ARG 15 1HB ARG 15 -1.794 9.654 -2.543
126 HB3 ARG 15 2HB ARG 15 -2.911 8.676 -3.485
127 HG2 ARG 15 1HG ARG 15 -3.628 10.587 -4.735
128 HG3 ARG 15 2HG ARG 15 -2.701 11.671 -3.696
129 HD2 ARG 15 1HD ARG 15 -1.591 9.557 -5.539
130 HD3 ARG 15 2HD ARG 15 -1.520 11.302 -5.775
131 HE ARG 15 HE ARG 15 -0.214 11.192 -3.531
132 HH11 ARG 15 1HH1 ARG 15 -0.068 8.871 -6.153
133 HH12 ARG 15 2HH1 ARG 15 1.573 8.415 -5.825
134 HH21 ARG 15 1HH2 ARG 15 1.974 10.597 -3.115
135 HH22 ARG 15 2HH2 ARG 15 2.728 9.369 -4.101
136 H GLU 16 H GLU 16 -5.521 11.135 -3.377
137 HA GLU 16 HA GLU 16 -7.085 8.761 -4.009
138 HB2 GLU 16 1HB GLU 16 -8.223 9.875 -2.080
139 HB3 GLU 16 2HB GLU 16 -8.357 11.339 -3.049
140 HG2 GLU 16 1HG GLU 16 -9.590 9.873 -4.748
141 HG3 GLU 16 2HG GLU 16 -9.720 8.702 -3.439
142 H LYS 17 H LYS 17 -6.873 8.707 -6.157
143 HA LYS 17 HA LYS 17 -7.113 11.208 -7.657
144 HB2 LYS 17 1HB LYS 17 -6.377 8.413 -8.540
145 HB3 LYS 17 2HB LYS 17 -6.627 9.747 -9.658
146 HG2 LYS 17 1HG LYS 17 -4.825 10.988 -8.441
147 HG3 LYS 17 2HG LYS 17 -4.504 9.505 -7.541
148 HD2 LYS 17 1HD LYS 17 -2.967 9.686 -9.403
149 HD3 LYS 17 2HD LYS 17 -4.072 8.336 -9.668
150 HE2 LYS 17 1HE LYS 17 -3.789 9.579 -11.726
151 HE3 LYS 17 2HE LYS 17 -5.437 9.772 -11.133
152 HZ1 LYS 17 3HZ LYS 17 -4.821 11.935 -10.238
153 HZ2 LYS 17 1HZ LYS 17 -4.530 11.869 -11.906
154 HZ3 LYS 17 2HZ LYS 17 -3.237 11.748 -10.817
155 HA PRO 18 HA PRO 18 -11.376 9.909 -7.354
156 HB2 PRO 18 1HB PRO 18 -12.016 12.615 -8.240
157 HB3 PRO 18 2HB PRO 18 -12.352 11.837 -6.691
158 HG2 PRO 18 1HG PRO 18 -10.542 13.826 -6.949
159 HG3 PRO 18 2HG PRO 18 -10.358 12.516 -5.767
160 HD2 PRO 18 1HD PRO 18 -9.062 12.843 -8.450
161 HD3 PRO 18 2HD PRO 18 -8.348 12.309 -6.911
162 H VAL 19 H VAL 19 -11.655 8.551 -9.054
163 HA VAL 19 HA VAL 19 -11.923 9.408 -11.748
164 HB VAL 19 HB VAL 19 -13.188 6.997 -10.416
165 HG11 VAL 19 1HG1 VAL 19 -13.221 6.044 -12.674
166 HG12 VAL 19 2HG1 VAL 19 -12.586 7.558 -13.317
167 HG13 VAL 19 3HG1 VAL 19 -14.183 7.519 -12.573
168 HG21 VAL 19 3HG2 VAL 19 -11.249 5.738 -11.237
169 HG22 VAL 19 1HG2 VAL 19 -10.777 6.987 -10.084
170 HG23 VAL 19 2HG2 VAL 19 -10.524 7.240 -11.811
171 H ASN 20 H ASN 20 -13.558 10.508 -12.636
172 HA ASN 20 HA ASN 20 -15.608 11.610 -11.081
173 HB2 ASN 20 1HB ASN 20 -14.793 12.666 -13.135
174 HB3 ASN 20 2HB ASN 20 -15.445 11.342 -14.092
175 HD21 ASN 20 2HD2 ASN 20 -17.595 11.286 -14.566
176 HD22 ASN 20 1HD2 ASN 20 -18.686 12.577 -14.189
177 H ASP 21 H ASP 21 -15.476 8.684 -12.970
178 HA ASP 21 HA ASP 21 -18.308 8.187 -12.744
179 HB2 ASP 21 1HB ASP 21 -17.087 7.359 -14.701
180 HB3 ASP 21 2HB ASP 21 -16.067 6.370 -13.661
181 H ARG 22 H ARG 22 -18.443 8.401 -10.447
182 HA ARG 22 HA ARG 22 -17.961 5.807 -9.143
183 HB2 ARG 22 1HB ARG 22 -17.583 8.560 -7.965
184 HB3 ARG 22 2HB ARG 22 -17.843 7.146 -6.958
185 HG2 ARG 22 1HG ARG 22 -15.806 6.129 -7.890
186 HG3 ARG 22 2HG ARG 22 -15.541 7.587 -8.853
187 HD2 ARG 22 1HD ARG 22 -15.365 8.924 -6.842
188 HD3 ARG 22 2HD ARG 22 -15.741 7.524 -5.843
189 HE ARG 22 HE ARG 22 -13.472 6.896 -7.328
190 HH11 ARG 22 1HH1 ARG 22 -14.425 9.237 -4.921
191 HH12 ARG 22 2HH1 ARG 22 -12.856 9.328 -4.168
192 HH21 ARG 22 1HH2 ARG 22 -11.358 7.020 -6.357
193 HH22 ARG 22 2HH2 ARG 22 -11.128 8.073 -4.995
194 H ARG 23 H ARG 23 -20.091 5.226 -9.745
195 HA ARG 23 HA ARG 23 -22.246 6.924 -8.741
196 HB2 ARG 23 1HB ARG 23 -22.265 4.583 -10.646
197 HB3 ARG 23 2HB ARG 23 -23.719 5.395 -10.084
198 HG2 ARG 23 1HG ARG 23 -22.931 7.491 -11.063
199 HG3 ARG 23 2HG ARG 23 -21.476 6.673 -11.636
200 HD2 ARG 23 1HD ARG 23 -22.812 5.219 -13.039
201 HD3 ARG 23 2HD ARG 23 -24.294 5.937 -12.412
202 HE ARG 23 HE ARG 23 -22.947 8.060 -13.422
203 HH11 ARG 23 1HH1 ARG 23 -23.837 4.951 -14.740
204 HH12 ARG 23 2HH1 ARG 23 -24.039 5.544 -16.363
205 HH21 ARG 23 1HH2 ARG 23 -23.170 8.855 -15.554
206 HH22 ARG 23 2HH2 ARG 23 -23.648 7.768 -16.823
207 H SER 24 H SER 24 -23.207 6.508 -6.914
208 HA SER 24 HA SER 24 -22.699 4.007 -5.531
209 HB2 SER 24 1HB SER 24 -22.450 6.132 -4.320
210 HB3 SER 24 2HB SER 24 -24.134 6.527 -4.651
211 HG SER 24 HG SER 24 -24.424 5.598 -2.790
212 H ARG 25 H ARG 25 -23.966 2.398 -6.290
213 HA ARG 25 HA ARG 25 -26.759 2.865 -6.907
214 HB2 ARG 25 1HB ARG 25 -24.933 0.491 -7.117
215 HB3 ARG 25 2HB ARG 25 -26.673 0.299 -7.268
216 HG2 ARG 25 1HG ARG 25 -26.688 1.849 -9.151
217 HG3 ARG 25 2HG ARG 25 -24.943 2.060 -8.992
218 HD2 ARG 25 1HD ARG 25 -24.518 -0.179 -9.605
219 HD3 ARG 25 2HD ARG 25 -26.209 -0.633 -9.405
220 HE ARG 25 HE ARG 25 -26.375 1.189 -11.360
221 HH11 ARG 25 1HH1 ARG 25 -24.157 -1.489 -10.930
222 HH12 ARG 25 2HH1 ARG 25 -24.046 -1.843 -12.629
223 HH21 ARG 25 1HH2 ARG 25 -26.254 0.725 -13.599
224 HH22 ARG 25 2HH2 ARG 25 -25.273 -0.605 -14.148
225 H GLN 26 H GLN 26 -28.427 2.476 -5.612
226 HA GLN 26 HA GLN 26 -29.669 1.916 -3.803
227 HB2 GLN 26 1HB GLN 26 -27.693 -0.362 -3.582
228 HB3 GLN 26 2HB GLN 26 -29.236 -0.270 -2.742
229 HG2 GLN 26 1HG GLN 26 -30.404 -0.259 -4.887
230 HG3 GLN 26 2HG GLN 26 -28.860 -0.353 -5.728
231 HE21 GLN 26 2HE2 GLN 26 -31.117 -2.168 -5.801
232 HE22 GLN 26 1HE2 GLN 26 -30.525 -3.713 -5.295
233 H GLN 27 H GLN 27 -27.129 3.529 -3.560
234 HA GLN 27 HA GLN 27 -26.028 4.725 -2.011
235 HB2 GLN 27 1HB GLN 27 -28.248 3.692 -0.262
236 HB3 GLN 27 2HB GLN 27 -27.003 4.780 0.338
237 HG2 GLN 27 1HG GLN 27 -27.639 6.408 -1.404
238 HG3 GLN 27 2HG GLN 27 -28.943 5.329 -1.895
239 HE21 GLN 27 2HE2 GLN 27 -28.969 8.072 -0.807
240 HE22 GLN 27 1HE2 GLN 27 -30.004 8.002 0.582
241 H GLU 28 H GLU 28 -24.093 3.725 -2.056
242 HA GLU 28 HA GLU 28 -23.488 1.432 -0.458
243 HB2 GLU 28 1HB GLU 28 -21.866 3.398 -2.038
244 HB3 GLU 28 2HB GLU 28 -21.070 2.266 -0.954
245 HG2 GLU 28 1HG GLU 28 -22.917 1.490 -3.198
246 HG3 GLU 28 2HG GLU 28 -21.154 1.481 -3.283
247 H VAL 29 H VAL 29 -23.074 1.359 1.623
248 HA VAL 29 HA VAL 29 -23.252 3.515 3.372
249 HB VAL 29 HB VAL 29 -21.747 0.937 3.862
250 HG11 VAL 29 1HG1 VAL 29 -23.032 2.869 5.790
251 HG12 VAL 29 2HG1 VAL 29 -21.302 2.623 5.558
252 HG13 VAL 29 3HG1 VAL 29 -22.296 1.326 6.221
253 HG21 VAL 29 3HG2 VAL 29 -24.002 0.484 3.063
254 HG22 VAL 29 1HG2 VAL 29 -24.666 1.567 4.286
255 HG23 VAL 29 2HG2 VAL 29 -23.853 0.080 4.774
256 H SER 30 H SER 30 -20.472 2.037 1.831
257 HA SER 30 HA SER 30 -18.391 2.787 1.379
258 HB2 SER 30 1HB SER 30 -19.315 5.494 2.364
259 HB3 SER 30 2HB SER 30 -17.962 5.158 1.283
260 HG SER 30 HG SER 30 -20.718 4.679 0.746
261 HA PRO 31 HA PRO 31 -17.123 2.246 5.752
262 HB2 PRO 31 1HB PRO 31 -15.277 0.282 4.627
263 HB3 PRO 31 2HB PRO 31 -16.563 0.051 5.813
264 HG2 PRO 31 1HG PRO 31 -16.719 -0.935 3.303
265 HG3 PRO 31 2HG PRO 31 -18.149 -0.396 4.202
266 HD2 PRO 31 1HD PRO 31 -16.588 1.044 2.084
267 HD3 PRO 31 2HD PRO 31 -18.350 0.907 2.283
268 H ALA 32 H ALA 32 -16.035 4.075 3.549
269 HA ALA 32 HA ALA 32 -13.225 4.170 4.410
270 HB1 ALA 32 3HB ALA 32 -13.582 4.125 1.985
271 HB2 ALA 32 1HB ALA 32 -12.856 5.648 2.499
272 HB3 ALA 32 2HB ALA 32 -14.573 5.580 2.104
273 H GLY 33 H GLY 33 -16.055 5.246 5.426
274 HA2 GLY 33 1HA GLY 33 -16.071 6.815 7.275
275 HA3 GLY 33 2HA GLY 33 -14.933 7.804 6.368
276 H THR 34 H THR 34 -16.073 7.876 3.897
277 HA THR 34 HA THR 34 -18.835 8.479 3.922
278 HB THR 34 HB THR 34 -17.998 10.414 5.248
279 HG1 THR 34 HG1 THR 34 -19.858 10.795 4.106
280 HG21 THR 34 3HG2 THR 34 -15.788 10.640 4.183
281 HG22 THR 34 1HG2 THR 34 -16.681 12.162 4.200
282 HG23 THR 34 2HG2 THR 34 -16.572 11.220 2.715
283 H SER 35 H SER 35 -18.615 10.544 1.841
284 HA SER 35 HA SER 35 -18.543 8.910 -0.409
285 HB2 SER 35 1HB SER 35 -18.060 11.891 -0.424
286 HB3 SER 35 2HB SER 35 -18.797 10.912 -1.693
287 HG SER 35 HG SER 35 -20.638 11.207 -0.740
288 H MET 36 H MET 36 -15.935 10.644 1.140
289 HA MET 36 HA MET 36 -14.154 10.500 -1.107
290 HB2 MET 36 1HB MET 36 -13.600 11.107 1.804
291 HB3 MET 36 2HB MET 36 -12.436 11.278 0.498
292 HG2 MET 36 1HG MET 36 -13.852 12.974 -0.542
293 HG3 MET 36 2HG MET 36 -15.016 12.804 0.771
294 HE1 MET 36 3HE MET 36 -14.420 13.365 3.330
295 HE2 MET 36 1HE MET 36 -12.874 14.039 3.843
296 HE3 MET 36 2HE MET 36 -12.959 12.382 3.244
297 H ARG 37 H ARG 37 -12.506 9.084 -1.477
298 HA ARG 37 HA ARG 37 -12.471 6.659 0.199
299 HB2 ARG 37 1HB ARG 37 -12.026 7.163 -2.701
300 HB3 ARG 37 2HB ARG 37 -11.061 5.903 -1.950
301 HG2 ARG 37 1HG ARG 37 -12.989 4.912 -2.943
302 HG3 ARG 37 2HG ARG 37 -13.148 4.816 -1.191
303 HD2 ARG 37 1HD ARG 37 -14.690 6.678 -1.190
304 HD3 ARG 37 2HD ARG 37 -14.456 6.910 -2.925
305 HE ARG 37 HE ARG 37 -15.294 4.325 -2.720
306 HH11 ARG 37 1HH1 ARG 37 -16.613 7.406 -1.670
307 HH12 ARG 37 2HH1 ARG 37 -18.263 6.851 -1.744
308 HH21 ARG 37 1HH2 ARG 37 -17.447 3.621 -2.808
309 HH22 ARG 37 2HH2 ARG 37 -18.731 4.707 -2.381
310 H TYR 38 H TYR 38 -10.551 5.941 1.080
311 HA TYR 38 HA TYR 38 -8.302 7.818 0.850
312 HB2 TYR 38 1HB TYR 38 -8.994 5.873 3.060
313 HB3 TYR 38 2HB TYR 38 -7.520 6.835 3.008
314 HD1 TYR 38 HD2 TYR 38 -9.057 9.302 1.773
315 HD2 TYR 38 HD1 TYR 38 -9.666 6.830 5.186
316 HE1 TYR 38 HE2 TYR 38 -10.224 11.151 2.901
317 HE2 TYR 38 HE1 TYR 38 -10.837 8.670 6.317
318 HH TYR 38 HH TYR 38 -10.910 11.156 6.211
319 H GLU 39 H GLU 39 -7.002 7.098 -0.708
320 HA GLU 39 HA GLU 39 -6.364 4.241 -0.776
321 HB2 GLU 39 1HB GLU 39 -5.781 6.354 -2.865
322 HB3 GLU 39 2HB GLU 39 -5.567 4.617 -3.043
323 HG2 GLU 39 1HG GLU 39 -8.009 4.332 -2.777
324 HG3 GLU 39 2HG GLU 39 -8.176 6.085 -2.726
325 H ALA 40 H ALA 40 -4.146 3.618 -0.961
326 HA ALA 40 HA ALA 40 -2.296 5.605 0.173
327 HB1 ALA 40 3HB ALA 40 -2.308 2.628 0.663
328 HB2 ALA 40 1HB ALA 40 -2.867 3.858 1.795
329 HB3 ALA 40 2HB ALA 40 -1.165 3.789 1.339
330 H SER 41 H SER 41 -0.371 5.865 -0.793
331 HA SER 41 HA SER 41 -0.021 4.463 -3.330
332 HB2 SER 41 1HB SER 41 -0.076 6.992 -3.191
333 HB3 SER 41 2HB SER 41 1.465 6.900 -2.339
334 HG SER 41 HG SER 41 2.364 6.773 -4.214
335 H PHE 42 H PHE 42 1.409 2.883 -3.496
336 HA PHE 42 HA PHE 42 3.523 2.657 -1.473
337 HB2 PHE 42 1HB PHE 42 2.437 0.593 -3.400
338 HB3 PHE 42 2HB PHE 42 3.706 0.306 -2.213
339 HD1 PHE 42 HD1 PHE 42 3.173 0.343 0.199
340 HD2 PHE 42 HD2 PHE 42 0.146 0.630 -2.777
341 HE1 PHE 42 HE1 PHE 42 1.472 -0.235 1.879
342 HE2 PHE 42 HE2 PHE 42 -1.563 0.051 -1.103
343 HZ PHE 42 HZ PHE 42 -0.900 -0.381 1.230
344 H LYS 43 H LYS 43 5.536 3.078 -1.992
345 HA LYS 43 HA LYS 43 6.170 3.702 -4.773
346 HB2 LYS 43 1HB LYS 43 6.653 5.375 -3.034
347 HB3 LYS 43 2HB LYS 43 7.704 4.227 -2.219
348 HG2 LYS 43 1HG LYS 43 9.082 5.737 -3.421
349 HG3 LYS 43 2HG LYS 43 9.125 4.193 -4.276
350 HD2 LYS 43 1HD LYS 43 7.487 5.023 -5.876
351 HD3 LYS 43 2HD LYS 43 7.398 6.554 -5.006
352 HE2 LYS 43 1HE LYS 43 8.822 6.895 -6.874
353 HE3 LYS 43 2HE LYS 43 9.846 6.835 -5.439
354 HZ1 LYS 43 3HZ LYS 43 10.548 5.547 -7.522
355 HZ2 LYS 43 1HZ LYS 43 9.389 4.409 -7.051
356 HZ3 LYS 43 2HZ LYS 43 10.683 4.774 -6.018
357 HA PRO 44 HA PRO 44 8.529 -0.146 -4.921
358 HB2 PRO 44 1HB PRO 44 8.962 -0.083 -7.588
359 HB3 PRO 44 2HB PRO 44 7.427 -0.614 -6.894
360 HG2 PRO 44 1HG PRO 44 8.149 2.020 -8.104
361 HG3 PRO 44 2HG PRO 44 6.654 1.083 -8.268
362 HD2 PRO 44 1HD PRO 44 6.926 3.228 -6.589
363 HD3 PRO 44 2HD PRO 44 5.786 1.898 -6.312
364 H LEU 45 H LEU 45 10.700 -0.439 -4.821
365 HA LEU 45 HA LEU 45 12.362 1.945 -5.062
366 HB2 LEU 45 1HB LEU 45 13.024 -0.789 -3.963
367 HB3 LEU 45 2HB LEU 45 14.020 0.646 -3.826
368 HG LEU 45 HG LEU 45 11.275 0.380 -2.602
369 HD11 LEU 45 1HD1 LEU 45 13.999 0.033 -1.357
370 HD12 LEU 45 2HD1 LEU 45 12.784 -1.225 -1.596
371 HD13 LEU 45 3HD1 LEU 45 12.471 0.103 -0.476
372 HD21 LEU 45 3HD2 LEU 45 13.476 2.406 -2.207
373 HD22 LEU 45 1HD2 LEU 45 11.952 2.353 -1.321
374 HD23 LEU 45 2HD2 LEU 45 11.954 2.678 -3.055
375 H ASN 46 H ASN 46 11.554 -0.710 -6.924
376 HA ASN 46 HA ASN 46 14.225 -1.134 -8.007
377 HB2 ASN 46 1HB ASN 46 11.701 -2.610 -8.756
378 HB3 ASN 46 2HB ASN 46 13.366 -3.136 -8.984
379 HD21 ASN 46 2HD2 ASN 46 14.591 -3.735 -7.133
380 HD22 ASN 46 1HD2 ASN 46 13.790 -4.291 -5.695
381 H GLY 47 H GLY 47 12.635 1.289 -8.546
382 HA2 GLY 47 1HA GLY 47 12.524 2.700 -10.387
383 HA3 GLY 47 2HA GLY 47 13.003 1.350 -11.407
384 H GLY 48 H GLY 48 10.544 3.435 -10.763
385 HA2 GLY 48 1HA GLY 48 8.726 2.710 -12.541
386 HA3 GLY 48 2HA GLY 48 8.392 1.529 -11.283
387 H LEU 49 H LEU 49 6.373 3.115 -11.965
388 HA LEU 49 HA LEU 49 6.301 5.470 -10.283
389 HB2 LEU 49 1HB LEU 49 4.155 4.193 -11.981
390 HB3 LEU 49 2HB LEU 49 4.004 5.728 -11.151
391 HG LEU 49 HG LEU 49 5.924 5.117 -13.401
392 HD11 LEU 49 1HD1 LEU 49 3.447 6.831 -13.305
393 HD12 LEU 49 2HD1 LEU 49 3.614 5.287 -14.141
394 HD13 LEU 49 3HD1 LEU 49 4.548 6.685 -14.675
395 HD21 LEU 49 3HD2 LEU 49 6.874 6.713 -11.816
396 HD22 LEU 49 1HD2 LEU 49 5.413 7.695 -11.918
397 HD23 LEU 49 2HD2 LEU 49 6.448 7.504 -13.334
398 H GLU 50 H GLU 50 4.541 5.790 -8.746
399 HA GLU 50 HA GLU 50 4.511 3.748 -6.794
400 HB2 GLU 50 1HB GLU 50 2.793 6.216 -7.061
401 HB3 GLU 50 2HB GLU 50 2.921 5.228 -5.616
402 HG2 GLU 50 1HG GLU 50 5.109 5.905 -5.200
403 HG3 GLU 50 2HG GLU 50 5.329 6.504 -6.847
404 H LYS 51 H LYS 51 2.972 2.305 -6.184
405 HA LYS 51 HA LYS 51 0.637 2.019 -7.937
406 HB2 LYS 51 1HB LYS 51 2.041 0.114 -6.080
407 HB3 LYS 51 2HB LYS 51 0.402 -0.200 -6.631
408 HG2 LYS 51 1HG LYS 51 1.213 -0.089 -8.966
409 HG3 LYS 51 2HG LYS 51 2.857 0.092 -8.350
410 HD2 LYS 51 1HD LYS 51 2.790 -2.069 -7.332
411 HD3 LYS 51 2HD LYS 51 1.064 -2.231 -7.661
412 HE2 LYS 51 1HE LYS 51 2.332 -3.556 -9.236
413 HE3 LYS 51 2HE LYS 51 1.545 -2.220 -10.073
414 HZ1 LYS 51 3HZ LYS 51 3.658 -1.011 -10.013
415 HZ2 LYS 51 1HZ LYS 51 3.802 -2.485 -10.839
416 HZ3 LYS 51 2HZ LYS 51 4.402 -2.337 -9.260
417 H THR 52 H THR 52 -1.005 3.199 -7.228
418 HA THR 52 HA THR 52 -1.419 3.563 -4.364
419 HB THR 52 HB THR 52 -3.002 4.769 -6.642
420 HG1 THR 52 HG1 THR 52 -0.533 5.501 -5.470
421 HG21 THR 52 3HG2 THR 52 -4.073 4.891 -4.441
422 HG22 THR 52 1HG2 THR 52 -3.562 6.489 -4.986
423 HG23 THR 52 2HG2 THR 52 -2.619 5.628 -3.769
424 H PHE 53 H PHE 53 -2.764 2.270 -3.275
425 HA PHE 53 HA PHE 53 -4.837 0.827 -4.794
426 HB2 PHE 53 1HB PHE 53 -3.277 0.000 -2.347
427 HB3 PHE 53 2HB PHE 53 -4.733 -0.835 -2.873
428 HD1 PHE 53 HD2 PHE 53 -4.762 -1.958 -5.098
429 HD2 PHE 53 HD1 PHE 53 -1.196 -0.393 -3.388
430 HE1 PHE 53 HE2 PHE 53 -3.425 -3.337 -6.636
431 HE2 PHE 53 HE1 PHE 53 0.149 -1.769 -4.923
432 HZ PHE 53 HZ PHE 53 -0.966 -3.245 -6.548
433 H ARG 54 H ARG 54 -6.890 0.867 -4.131
434 HA ARG 54 HA ARG 54 -7.720 2.976 -2.401
435 HB2 ARG 54 1HB ARG 54 -8.989 2.357 -4.404
436 HB3 ARG 54 2HB ARG 54 -9.298 0.764 -3.731
437 HG2 ARG 54 1HG ARG 54 -10.522 1.889 -1.859
438 HG3 ARG 54 2HG ARG 54 -10.356 3.403 -2.754
439 HD2 ARG 54 1HD ARG 54 -12.523 2.363 -3.185
440 HD3 ARG 54 2HD ARG 54 -11.542 2.418 -4.649
441 HE ARG 54 HE ARG 54 -11.449 -0.044 -3.084
442 HH11 ARG 54 1HH1 ARG 54 -12.744 1.650 -5.862
443 HH12 ARG 54 2HH1 ARG 54 -13.219 0.202 -6.696
444 HH21 ARG 54 1HH2 ARG 54 -12.057 -1.949 -4.173
445 HH22 ARG 54 2HH2 ARG 54 -12.810 -1.858 -5.736
446 H LEU 55 H LEU 55 -8.151 2.903 -0.282
447 HA LEU 55 HA LEU 55 -8.457 0.259 0.979
448 HB2 LEU 55 1HB LEU 55 -6.991 2.691 2.001
449 HB3 LEU 55 2HB LEU 55 -7.326 1.265 2.968
450 HG LEU 55 HG LEU 55 -5.616 1.323 0.478
451 HD11 LEU 55 1HD1 LEU 55 -4.569 2.484 2.340
452 HD12 LEU 55 2HD1 LEU 55 -3.757 0.951 2.020
453 HD13 LEU 55 3HD1 LEU 55 -4.862 1.094 3.387
454 HD21 LEU 55 3HD2 LEU 55 -6.160 -0.895 2.449
455 HD22 LEU 55 1HD2 LEU 55 -5.012 -0.961 1.111
456 HD23 LEU 55 2HD2 LEU 55 -6.740 -0.821 0.786
457 H GLN 56 H GLN 56 -9.665 0.254 2.980
458 HA GLN 56 HA GLN 56 -11.747 2.295 3.064
459 HB2 GLN 56 1HB GLN 56 -11.462 -0.318 4.566
460 HB3 GLN 56 2HB GLN 56 -12.840 0.769 4.691
461 HG2 GLN 56 1HG GLN 56 -13.324 0.438 2.324
462 HG3 GLN 56 2HG GLN 56 -11.936 -0.639 2.188
463 HE21 GLN 56 2HE2 GLN 56 -14.758 -1.158 1.671
464 HE22 GLN 56 1HE2 GLN 56 -15.199 -2.480 2.705
465 H ALA 57 H ALA 57 -12.465 2.692 5.527
466 HA ALA 57 HA ALA 57 -10.554 4.508 6.456
467 HB1 ALA 57 3HB ALA 57 -12.963 4.725 6.857
468 HB2 ALA 57 1HB ALA 57 -12.029 4.865 8.346
469 HB3 ALA 57 2HB ALA 57 -12.889 3.368 7.982
470 H GLN 58 H GLN 58 -11.529 1.393 7.903
471 HA GLN 58 HA GLN 58 -9.707 1.587 10.056
472 HB2 GLN 58 1HB GLN 58 -11.720 0.165 10.112
473 HB3 GLN 58 2HB GLN 58 -11.003 -0.888 8.900
474 HG2 GLN 58 1HG GLN 58 -10.845 -1.756 11.213
475 HG3 GLN 58 2HG GLN 58 -9.287 -1.578 10.409
476 HE21 GLN 58 2HE2 GLN 58 -8.188 -1.496 12.367
477 HE22 GLN 58 1HE2 GLN 58 -8.244 -0.112 13.409
478 H GLN 59 H GLN 59 -9.426 0.290 6.814
479 HA GLN 59 HA GLN 59 -7.014 -1.144 7.225
480 HB2 GLN 59 1HB GLN 59 -8.044 0.115 4.676
481 HB3 GLN 59 2HB GLN 59 -6.790 -1.111 4.787
482 HG2 GLN 59 1HG GLN 59 -8.459 -2.661 5.753
483 HG3 GLN 59 2HG GLN 59 -9.697 -1.432 5.492
484 HE21 GLN 59 2HE2 GLN 59 -7.608 -3.763 4.013
485 HE22 GLN 59 1HE2 GLN 59 -8.323 -3.699 2.436
486 H TYR 60 H TYR 60 -7.744 2.138 6.122
487 HA TYR 60 HA TYR 60 -5.098 2.951 5.648
488 HB2 TYR 60 1HB TYR 60 -6.920 4.247 4.764
489 HB3 TYR 60 2HB TYR 60 -7.562 4.542 6.377
490 HD1 TYR 60 HD1 TYR 60 -4.581 5.202 4.241
491 HD2 TYR 60 HD2 TYR 60 -6.940 6.454 7.553
492 HE1 TYR 60 HE1 TYR 60 -3.246 7.260 4.407
493 HE2 TYR 60 HE2 TYR 60 -5.613 8.515 7.725
494 HH TYR 60 HH TYR 60 -3.311 9.261 7.107
495 H HIS 61 H HIS 61 -6.945 2.690 8.600
496 HA HIS 61 HA HIS 61 -5.418 4.373 10.248
497 HB2 HIS 61 1HB HIS 61 -7.014 1.894 10.901
498 HB3 HIS 61 2HB HIS 61 -6.231 2.875 12.134
499 HD1 HIS 61 HD1 HIS 61 -9.324 2.492 12.019
500 HD2 HIS 61 HD2 HIS 61 -7.252 5.721 10.405
501 HE1 HIS 61 HE1 HIS 61 -10.989 4.372 11.885
502 HE2 HIS 61 HE2 HIS 61 -9.698 6.343 10.980
503 H ALA 62 H ALA 62 -4.795 1.157 9.064
504 HA ALA 62 HA ALA 62 -2.596 0.722 10.906
505 HB1 ALA 62 3HB ALA 62 -2.330 -1.417 9.767
506 HB2 ALA 62 1HB ALA 62 -3.521 -0.934 8.561
507 HB3 ALA 62 2HB ALA 62 -4.010 -1.161 10.240
508 H LEU 63 H LEU 63 -3.117 1.841 7.660
509 HA LEU 63 HA LEU 63 -0.443 1.444 6.749
510 HB2 LEU 63 1HB LEU 63 -2.888 2.730 5.693
511 HB3 LEU 63 2HB LEU 63 -1.366 3.342 5.075
512 HG LEU 63 HG LEU 63 -2.289 1.624 3.608
513 HD11 LEU 63 1HD1 LEU 63 -0.318 0.185 3.467
514 HD12 LEU 63 2HD1 LEU 63 0.184 0.717 5.071
515 HD13 LEU 63 3HD1 LEU 63 0.127 1.870 3.738
516 HD21 LEU 63 3HD2 LEU 63 -2.443 -0.702 4.338
517 HD22 LEU 63 1HD2 LEU 63 -3.531 0.332 5.264
518 HD23 LEU 63 2HD2 LEU 63 -2.017 -0.220 5.980
519 H THR 64 H THR 64 1.150 2.417 7.755
520 HA THR 64 HA THR 64 0.846 5.186 8.640
521 HB THR 64 HB THR 64 3.109 3.263 9.224
522 HG1 THR 64 HG1 THR 64 1.281 2.390 10.153
523 HG21 THR 64 3HG2 THR 64 3.562 4.784 11.099
524 HG22 THR 64 1HG2 THR 64 2.249 5.832 10.564
525 HG23 THR 64 2HG2 THR 64 3.677 5.620 9.550
526 H VAL 65 H VAL 65 1.567 6.741 7.346
527 HA VAL 65 HA VAL 65 3.035 6.285 4.993
528 HB VAL 65 HB VAL 65 2.469 8.827 6.520
529 HG11 VAL 65 1HG1 VAL 65 3.184 10.052 4.518
530 HG12 VAL 65 2HG1 VAL 65 3.727 8.540 3.791
531 HG13 VAL 65 3HG1 VAL 65 4.520 9.156 5.240
532 HG21 VAL 65 3HG2 VAL 65 1.338 7.666 3.978
533 HG22 VAL 65 1HG2 VAL 65 0.881 9.213 4.692
534 HG23 VAL 65 2HG2 VAL 65 0.537 7.710 5.549
535 H GLY 66 H GLY 66 5.132 6.243 4.536
536 HA2 GLY 66 1HA GLY 66 7.418 6.698 4.795
537 HA3 GLY 66 2HA GLY 66 7.103 7.260 6.433
538 H ASP 67 H ASP 67 5.438 4.670 6.712
539 HA ASP 67 HA ASP 67 7.626 3.195 7.882
540 HB2 ASP 67 1HB ASP 67 5.288 3.506 8.907
541 HB3 ASP 67 2HB ASP 67 4.761 2.268 7.771
542 H GLN 68 H GLN 68 8.821 2.482 6.177
543 HA GLN 68 HA GLN 68 7.840 1.093 3.929
544 HB2 GLN 68 1HB GLN 68 10.562 0.870 5.227
545 HB3 GLN 68 2HB GLN 68 10.154 0.376 3.589
546 HG2 GLN 68 1HG GLN 68 9.648 2.699 3.019
547 HG3 GLN 68 2HG GLN 68 10.069 3.188 4.658
548 HE21 GLN 68 2HE2 GLN 68 12.276 1.244 4.783
549 HE22 GLN 68 1HE2 GLN 68 13.552 1.922 3.829
550 H GLY 69 H GLY 69 7.476 -1.034 3.521
551 HA2 GLY 69 1HA GLY 69 8.206 -3.087 5.406
552 HA3 GLY 69 2HA GLY 69 6.489 -2.713 5.404
553 H THR 70 H THR 70 6.675 -5.129 4.797
554 HA THR 70 HA THR 70 7.451 -5.585 2.026
555 HB THR 70 HB THR 70 6.416 -7.623 4.002
556 HG1 THR 70 HG1 THR 70 8.228 -6.771 4.958
557 HG21 THR 70 3HG2 THR 70 6.459 -8.336 1.654
558 HG22 THR 70 1HG2 THR 70 7.667 -9.202 2.604
559 HG23 THR 70 2HG2 THR 70 8.159 -7.880 1.546
560 H LEU 71 H LEU 71 6.061 -6.146 0.418
561 HA LEU 71 HA LEU 71 3.188 -5.993 1.043
562 HB2 LEU 71 1HB LEU 71 3.984 -4.066 -0.232
563 HB3 LEU 71 2HB LEU 71 4.671 -5.129 -1.444
564 HG LEU 71 HG LEU 71 2.390 -5.904 -2.022
565 HD11 LEU 71 1HD1 LEU 71 0.461 -4.662 -1.187
566 HD12 LEU 71 2HD1 LEU 71 1.512 -3.759 -0.097
567 HD13 LEU 71 3HD1 LEU 71 1.305 -5.497 0.116
568 HD21 LEU 71 3HD2 LEU 71 2.792 -2.917 -2.146
569 HD22 LEU 71 1HD2 LEU 71 1.696 -3.855 -3.161
570 HD23 LEU 71 2HD2 LEU 71 3.439 -4.100 -3.283
571 H SER 72 H SER 72 1.992 -7.660 0.527
572 HA SER 72 HA SER 72 3.177 -9.891 -0.977
573 HB2 SER 72 1HB SER 72 2.355 -10.384 1.285
574 HB3 SER 72 2HB SER 72 0.772 -9.735 0.872
575 HG SER 72 HG SER 72 1.733 -11.744 -0.776
576 H TYR 73 H TYR 73 2.789 -9.457 -3.116
577 HA TYR 73 HA TYR 73 -0.043 -9.270 -3.852
578 HB2 TYR 73 1HB TYR 73 0.426 -7.685 -5.628
579 HB3 TYR 73 2HB TYR 73 0.969 -7.025 -4.093
580 HD1 TYR 73 HD1 TYR 73 3.421 -6.920 -3.600
581 HD2 TYR 73 HD2 TYR 73 1.942 -8.062 -7.423
582 HE1 TYR 73 HE1 TYR 73 5.632 -6.476 -4.583
583 HE2 TYR 73 HE2 TYR 73 4.151 -7.627 -8.415
584 HH TYR 73 HH TYR 73 6.167 -6.258 -7.919
585 H LYS 74 H LYS 74 -0.666 -10.411 -5.612
586 HA LYS 74 HA LYS 74 1.389 -11.768 -7.199
587 HB2 LYS 74 1HB LYS 74 0.558 -13.350 -5.449
588 HB3 LYS 74 2HB LYS 74 -1.068 -13.149 -6.088
589 HG2 LYS 74 1HG LYS 74 -0.292 -14.049 -8.254
590 HG3 LYS 74 2HG LYS 74 1.297 -14.326 -7.536
591 HD2 LYS 74 1HD LYS 74 -1.274 -15.525 -6.512
592 HD3 LYS 74 2HD LYS 74 -0.144 -16.350 -7.587
593 HE2 LYS 74 1HE LYS 74 1.605 -16.189 -5.912
594 HE3 LYS 74 2HE LYS 74 0.530 -15.281 -4.848
595 HZ1 LYS 74 3HZ LYS 74 -0.856 -17.174 -4.587
596 HZ2 LYS 74 1HZ LYS 74 0.738 -17.675 -4.303
597 HZ3 LYS 74 2HZ LYS 74 -0.019 -18.049 -5.775
598 H GLY 75 H GLY 75 1.060 -11.073 -9.200
599 HA2 GLY 75 1HA GLY 75 -0.076 -10.537 -11.149
600 HA3 GLY 75 2HA GLY 75 -1.584 -10.984 -10.354
601 H THR 76 H THR 76 -2.935 -9.362 -9.927
602 HA THR 76 HA THR 76 -1.756 -6.706 -9.438
603 HB THR 76 HB THR 76 -2.776 -6.758 -11.683
604 HG1 THR 76 HG1 THR 76 -3.763 -5.153 -9.607
605 HG21 THR 76 3HG2 THR 76 -5.341 -7.365 -10.203
606 HG22 THR 76 1HG2 THR 76 -4.492 -8.458 -11.296
607 HG23 THR 76 2HG2 THR 76 -5.213 -6.974 -11.919
608 H ARG 77 H ARG 77 -3.539 -9.198 -8.167
609 HA ARG 77 HA ARG 77 -5.391 -7.541 -6.678
610 HB2 ARG 77 1HB ARG 77 -6.181 -9.720 -7.418
611 HB3 ARG 77 2HB ARG 77 -4.875 -10.517 -6.546
612 HG2 ARG 77 1HG ARG 77 -5.780 -9.772 -4.434
613 HG3 ARG 77 2HG ARG 77 -7.041 -8.866 -5.265
614 HD2 ARG 77 1HD ARG 77 -7.989 -10.927 -6.126
615 HD3 ARG 77 2HD ARG 77 -6.685 -11.858 -5.383
616 HE ARG 77 HE ARG 77 -7.565 -10.963 -3.202
617 HH11 ARG 77 1HH1 ARG 77 -9.649 -11.395 -5.993
618 HH12 ARG 77 2HH1 ARG 77 -11.096 -11.507 -5.041
619 HH21 ARG 77 1HH2 ARG 77 -9.471 -11.108 -1.962
620 HH22 ARG 77 2HH2 ARG 77 -11.003 -11.347 -2.751
621 H PHE 78 H PHE 78 -5.111 -6.776 -4.731
622 HA PHE 78 HA PHE 78 -2.670 -7.001 -3.311
623 HB2 PHE 78 1HB PHE 78 -4.134 -5.015 -3.206
624 HB3 PHE 78 2HB PHE 78 -5.378 -5.973 -2.418
625 HD1 PHE 78 HD2 PHE 78 -2.075 -4.424 -2.016
626 HD2 PHE 78 HD1 PHE 78 -5.264 -6.479 -0.087
627 HE1 PHE 78 HE2 PHE 78 -1.134 -3.821 0.176
628 HE2 PHE 78 HE1 PHE 78 -4.330 -5.876 2.108
629 HZ PHE 78 HZ PHE 78 -2.262 -4.548 2.240
630 H VAL 79 H VAL 79 -2.057 -8.809 -2.293
631 HA VAL 79 HA VAL 79 -4.038 -10.675 -1.281
632 HB VAL 79 HB VAL 79 -1.020 -10.862 -1.186
633 HG11 VAL 79 1HG1 VAL 79 -3.140 -12.963 -0.747
634 HG12 VAL 79 2HG1 VAL 79 -2.100 -12.257 0.490
635 HG13 VAL 79 3HG1 VAL 79 -1.399 -13.249 -0.788
636 HG21 VAL 79 3HG2 VAL 79 -1.815 -10.772 -3.482
637 HG22 VAL 79 1HG2 VAL 79 -2.975 -12.057 -3.148
638 HG23 VAL 79 2HG2 VAL 79 -1.245 -12.394 -3.089
639 H GLY 80 H GLY 80 -1.252 -8.875 0.026
640 HA2 GLY 80 1HA GLY 80 -2.651 -8.148 2.393
641 HA3 GLY 80 2HA GLY 80 -1.562 -9.494 2.708
642 H PHE 81 H PHE 81 -1.101 -7.230 4.070
643 HA PHE 81 HA PHE 81 1.390 -6.282 2.846
644 HB2 PHE 81 1HB PHE 81 -0.314 -4.535 2.464
645 HB3 PHE 81 2HB PHE 81 -0.642 -4.482 4.191
646 HD1 PHE 81 HD1 PHE 81 2.147 -4.065 1.761
647 HD2 PHE 81 HD2 PHE 81 0.464 -2.942 5.503
648 HE1 PHE 81 HE1 PHE 81 3.897 -2.357 2.032
649 HE2 PHE 81 HE2 PHE 81 2.211 -1.233 5.781
650 HZ PHE 81 HZ PHE 81 3.931 -0.940 4.044
651 H VAL 82 H VAL 82 3.012 -6.664 4.169
652 HA VAL 82 HA VAL 82 2.504 -6.645 7.071
653 HB VAL 82 HB VAL 82 4.416 -8.510 5.643
654 HG11 VAL 82 1HG1 VAL 82 5.158 -7.904 7.881
655 HG12 VAL 82 2HG1 VAL 82 4.639 -9.589 7.831
656 HG13 VAL 82 3HG1 VAL 82 3.588 -8.364 8.540
657 HG21 VAL 82 3HG2 VAL 82 2.875 -10.307 6.273
658 HG22 VAL 82 1HG2 VAL 82 2.108 -9.145 5.190
659 HG23 VAL 82 2HG2 VAL 82 1.748 -9.113 6.916
660 H SER 83 H SER 83 3.300 -4.605 7.401
661 HA SER 83 HA SER 83 5.809 -3.791 6.244
662 HB2 SER 83 1HB SER 83 3.842 -2.236 6.674
663 HB3 SER 83 2HB SER 83 4.238 -2.347 8.389
664 HG SER 83 HG SER 83 5.469 -0.687 7.868
665 H ARG 84 H ARG 84 7.172 -2.471 8.120
666 HA ARG 84 HA ARG 84 8.335 -4.592 9.661
667 HB2 ARG 84 1HB ARG 84 9.624 -2.688 8.627
668 HB3 ARG 84 2HB ARG 84 8.934 -1.636 9.856
669 HG2 ARG 84 1HG ARG 84 10.023 -2.846 11.603
670 HG3 ARG 84 2HG ARG 84 10.561 -4.089 10.472
671 HD2 ARG 84 1HD ARG 84 11.884 -2.347 9.288
672 HD3 ARG 84 2HD ARG 84 11.435 -1.206 10.555
673 HE ARG 84 HE ARG 84 12.543 -2.855 12.118
674 HH11 ARG 84 1HH1 ARG 84 13.514 -2.478 8.768
675 HH12 ARG 84 2HH1 ARG 84 15.130 -3.052 9.036
676 HH21 ARG 84 1HH2 ARG 84 14.658 -3.638 12.474
677 HH22 ARG 84 2HH2 ARG 84 15.787 -3.706 11.149
678 H THR 85 H THR 85 5.994 -2.126 10.174
679 HA THR 85 HA THR 85 6.001 -2.128 13.011
680 HB THR 85 HB THR 85 3.480 -1.416 12.472
681 HG1 THR 85 HG1 THR 85 4.674 -0.442 10.123
682 HG21 THR 85 3HG2 THR 85 5.897 0.307 11.922
683 HG22 THR 85 1HG2 THR 85 5.161 0.023 13.499
684 HG23 THR 85 2HG2 THR 85 4.269 0.897 12.255
685 HA PRO 86 HA PRO 86 3.822 -5.977 13.682
686 HB2 PRO 86 1HB PRO 86 3.114 -5.008 16.330
687 HB3 PRO 86 2HB PRO 86 4.251 -6.281 15.886
688 HG2 PRO 86 1HG PRO 86 5.024 -3.900 16.950
689 HG3 PRO 86 2HG PRO 86 6.041 -4.853 15.855
690 HD2 PRO 86 1HD PRO 86 4.358 -2.446 15.268
691 HD3 PRO 86 2HD PRO 86 5.981 -2.861 14.672
692 H ASP 87 H ASP 87 1.635 -6.548 14.887
693 HA ASP 87 HA ASP 87 -0.466 -5.461 13.434
694 HB2 ASP 87 1HB ASP 87 -0.522 -6.934 16.072
695 HB3 ASP 87 2HB ASP 87 -1.955 -6.576 15.114
696 H ASN 88 H ASN 88 0.463 -4.848 16.790
697 HA ASN 88 HA ASN 88 0.084 -3.113 18.209
698 HB2 ASN 88 1HB ASN 88 -0.240 -1.658 15.581
699 HB3 ASN 88 2HB ASN 88 -0.287 -0.840 17.139
700 HD21 ASN 88 2HD2 ASN 88 1.584 -0.610 14.890
701 HD22 ASN 88 1HD2 ASN 88 3.147 -0.907 15.556
702 H GLU 89 H GLU 89 -2.069 -4.847 17.392
703 HA GLU 89 HA GLU 89 -4.492 -3.485 16.993
704 HB2 GLU 89 1HB GLU 89 -4.148 -5.888 16.570
705 HB3 GLU 89 2HB GLU 89 -3.970 -6.160 18.296
706 HG2 GLU 89 1HG GLU 89 -6.297 -5.303 18.584
707 HG3 GLU 89 2HG GLU 89 -6.441 -5.300 16.825
708 H LEU 90 H LEU 90 -2.814 -4.547 19.907
709 HA LEU 90 HA LEU 90 -4.843 -3.641 21.716
710 HB2 LEU 90 1HB LEU 90 -1.932 -4.296 22.173
711 HB3 LEU 90 2HB LEU 90 -3.086 -3.964 23.449
712 HG LEU 90 HG LEU 90 -3.279 -6.274 21.515
713 HD11 LEU 90 1HD1 LEU 90 -2.401 -6.197 24.399
714 HD12 LEU 90 2HD1 LEU 90 -1.369 -6.517 23.005
715 HD13 LEU 90 3HD1 LEU 90 -2.648 -7.653 23.436
716 HD21 LEU 90 3HD2 LEU 90 -5.014 -7.083 23.036
717 HD22 LEU 90 1HD2 LEU 90 -5.448 -5.520 22.345
718 HD23 LEU 90 2HD2 LEU 90 -4.855 -5.616 24.002
719 H GLU 91 H GLU 91 -2.287 -2.166 20.022
720 HA GLU 91 HA GLU 91 -1.296 -0.143 20.002
721 HB2 GLU 91 1HB GLU 91 -3.639 0.616 19.694
722 HB3 GLU 91 2HB GLU 91 -3.783 0.807 21.438
723 HG2 GLU 91 1HG GLU 91 -1.849 2.415 21.309
724 HG3 GLU 91 2HG GLU 91 -2.011 2.344 19.556
725 H HIS 92 H HIS 92 0.430 -0.683 21.366
726 HA HIS 92 HA HIS 92 0.288 0.013 24.158
727 HB2 HIS 92 1HB HIS 92 2.553 -0.737 22.322
728 HB3 HIS 92 2HB HIS 92 2.871 -0.090 23.927
729 HD1 HIS 92 HD1 HIS 92 2.082 -1.555 25.969
730 HD2 HIS 92 HD2 HIS 92 1.795 -3.393 22.245
731 HE1 HIS 92 HE1 HIS 92 1.784 -4.004 26.440
732 HE2 HIS 92 HE2 HIS 92 1.871 -5.112 24.182
733 H HIS 93 H HIS 93 -0.336 2.090 24.389
734 HA HIS 93 HA HIS 93 0.427 4.189 22.669
735 HB2 HIS 93 1HB HIS 93 -1.593 4.096 24.244
736 HB3 HIS 93 2HB HIS 93 -0.477 4.566 25.522
737 HD1 HIS 93 HD1 HIS 93 -2.489 5.916 22.764
738 HD2 HIS 93 HD2 HIS 93 0.669 7.194 25.146
739 HE1 HIS 93 HE1 HIS 93 -2.347 8.402 22.423
740 HE2 HIS 93 HE2 HIS 93 -0.305 9.120 23.718
741 H HIS 94 H HIS 94 1.722 2.976 25.704
742 HA HIS 94 HA HIS 94 4.023 4.771 25.324
743 HB2 HIS 94 1HB HIS 94 3.062 4.872 27.582
744 HB3 HIS 94 2HB HIS 94 3.259 3.130 27.756
745 HD1 HIS 94 HD1 HIS 94 5.346 6.273 27.388
746 HD2 HIS 94 HD2 HIS 94 5.722 2.333 28.678
747 HE1 HIS 94 HE1 HIS 94 7.650 6.098 28.382
748 HE2 HIS 94 HE2 HIS 94 7.933 3.657 28.945
749 H HIS 95 H HIS 95 5.275 3.784 23.850
750 HA HIS 95 HA HIS 95 5.733 0.975 23.769
751 HB2 HIS 95 1HB HIS 95 6.847 3.368 22.416
752 HB3 HIS 95 2HB HIS 95 7.885 1.951 22.474
753 HD1 HIS 95 HD1 HIS 95 7.694 0.594 20.450
754 HD2 HIS 95 HD2 HIS 95 4.095 2.467 21.390
755 HE1 HIS 95 HE1 HIS 95 6.078 -0.083 18.641
756 HE2 HIS 95 HE2 HIS 95 3.977 1.226 19.119
757 H HIS 96 H HIS 96 7.122 -0.247 24.893
758 HA HIS 96 HA HIS 96 9.011 0.875 26.738
759 HB2 HIS 96 1HB HIS 96 8.025 -1.414 27.002
760 HB3 HIS 96 2HB HIS 96 8.910 -1.928 25.571
761 HD1 HIS 96 HD1 HIS 96 9.366 -1.076 29.185
762 HD2 HIS 96 HD2 HIS 96 11.639 -2.406 25.965
763 HE1 HIS 96 HE1 HIS 96 11.551 -1.847 30.165
764 HE2 HIS 96 HE2 HIS 96 12.822 -2.832 28.224
765 H HIS 97 H HIS 97 9.045 -0.531 23.537
766 HA HIS 97 HA HIS 97 10.690 1.400 22.434
767 HB2 HIS 97 1HB HIS 97 12.514 0.276 23.727
768 HB3 HIS 97 2HB HIS 97 12.186 -1.206 22.829
769 HD1 HIS 97 HD1 HIS 97 13.619 -1.516 20.843
770 HD2 HIS 97 HD2 HIS 97 13.172 2.500 21.816
771 HE1 HIS 97 HE1 HIS 97 15.006 -0.254 19.165
772 HE2 HIS 97 HE2 HIS 97 14.555 2.181 19.654
Start of MODEL 11
1 H1 MET 1 1H MET 1 6.811 -23.747 -4.428
2 H2 MET 1 2H MET 1 8.341 -23.016 -4.414
3 H3 MET 1 3H MET 1 7.930 -24.096 -5.657
4 HA MET 1 HA MET 1 7.822 -21.853 -6.468
5 HB2 MET 1 1HB MET 1 5.084 -23.071 -6.036
6 HB3 MET 1 2HB MET 1 5.447 -21.806 -7.199
7 HG2 MET 1 1HG MET 1 6.957 -23.328 -8.377
8 HG3 MET 1 2HG MET 1 6.576 -24.596 -7.213
9 HE1 MET 1 3HE MET 1 5.919 -26.251 -9.131
10 HE2 MET 1 1HE MET 1 6.288 -25.032 -10.352
11 HE3 MET 1 2HE MET 1 4.749 -25.889 -10.401
12 H ALA 2 H ALA 2 7.305 -19.717 -6.170
13 HA ALA 2 HA ALA 2 6.119 -19.030 -3.567
14 HB1 ALA 2 3HB ALA 2 8.384 -18.181 -3.950
15 HB2 ALA 2 1HB ALA 2 7.221 -16.862 -3.821
16 HB3 ALA 2 2HB ALA 2 7.829 -17.350 -5.402
17 HA PRO 3 HA PRO 3 2.761 -17.826 -6.334
18 HB2 PRO 3 1HB PRO 3 0.758 -18.147 -4.582
19 HB3 PRO 3 2HB PRO 3 1.565 -19.528 -5.336
20 HG2 PRO 3 1HG PRO 3 1.890 -18.404 -2.590
21 HG3 PRO 3 2HG PRO 3 1.902 -20.094 -3.122
22 HD2 PRO 3 1HD PRO 3 4.160 -18.557 -2.590
23 HD3 PRO 3 2HD PRO 3 4.135 -20.047 -3.553
24 H LEU 4 H LEU 4 3.786 -16.398 -3.362
25 HA LEU 4 HA LEU 4 2.037 -14.073 -3.819
26 HB2 LEU 4 1HB LEU 4 1.947 -15.312 -1.602
27 HB3 LEU 4 2HB LEU 4 3.571 -14.723 -1.311
28 HG LEU 4 HG LEU 4 2.786 -12.427 -1.332
29 HD11 LEU 4 1HD1 LEU 4 0.387 -11.928 -1.452
30 HD12 LEU 4 2HD1 LEU 4 0.059 -13.618 -1.829
31 HD13 LEU 4 3HD1 LEU 4 0.987 -12.627 -2.953
32 HD21 LEU 4 3HD2 LEU 4 1.181 -14.262 0.442
33 HD22 LEU 4 1HD2 LEU 4 1.375 -12.528 0.695
34 HD23 LEU 4 2HD2 LEU 4 2.777 -13.593 0.779
35 H GLN 5 H GLN 5 2.972 -12.331 -4.667
36 HA GLN 5 HA GLN 5 5.866 -12.170 -4.759
37 HB2 GLN 5 1HB GLN 5 3.785 -10.308 -5.922
38 HB3 GLN 5 2HB GLN 5 5.513 -10.247 -6.240
39 HG2 GLN 5 1HG GLN 5 5.340 -12.551 -7.180
40 HG3 GLN 5 2HG GLN 5 3.590 -12.417 -7.022
41 HE21 GLN 5 2HE2 GLN 5 5.210 -12.784 -9.391
42 HE22 GLN 5 1HE2 GLN 5 4.857 -11.446 -10.440
43 H GLN 6 H GLN 6 7.032 -11.077 -3.360
44 HA GLN 6 HA GLN 6 5.720 -8.984 -1.766
45 HB2 GLN 6 1HB GLN 6 7.533 -11.182 -0.778
46 HB3 GLN 6 2HB GLN 6 7.139 -9.756 0.168
47 HG2 GLN 6 1HG GLN 6 4.755 -10.371 0.044
48 HG3 GLN 6 2HG GLN 6 5.208 -11.841 -0.818
49 HE21 GLN 6 2HE2 GLN 6 3.880 -11.460 1.784
50 HE22 GLN 6 1HE2 GLN 6 4.850 -12.329 2.924
51 H LYS 7 H LYS 7 6.705 -7.131 -1.872
52 HA LYS 7 HA LYS 7 9.636 -7.063 -1.862
53 HB2 LYS 7 1HB LYS 7 7.827 -5.507 -3.704
54 HB3 LYS 7 2HB LYS 7 9.422 -4.914 -3.270
55 HG2 LYS 7 1HG LYS 7 10.298 -7.151 -4.118
56 HG3 LYS 7 2HG LYS 7 8.700 -7.362 -4.837
57 HD2 LYS 7 1HD LYS 7 8.970 -5.297 -6.091
58 HD3 LYS 7 2HD LYS 7 10.535 -5.016 -5.325
59 HE2 LYS 7 1HE LYS 7 9.837 -7.353 -7.100
60 HE3 LYS 7 2HE LYS 7 10.767 -5.938 -7.588
61 HZ1 LYS 7 3HZ LYS 7 11.559 -7.868 -5.468
62 HZ2 LYS 7 1HZ LYS 7 12.463 -6.527 -5.982
63 HZ3 LYS 7 2HZ LYS 7 12.187 -7.823 -7.043
64 H GLN 8 H GLN 8 10.498 -5.388 -0.637
65 HA GLN 8 HA GLN 8 8.675 -4.123 1.205
66 HB2 GLN 8 1HB GLN 8 11.661 -3.762 0.875
67 HB3 GLN 8 2HB GLN 8 10.695 -3.151 2.212
68 HG2 GLN 8 1HG GLN 8 10.121 -5.453 2.834
69 HG3 GLN 8 2HG GLN 8 11.128 -6.046 1.516
70 HE21 GLN 8 2HE2 GLN 8 11.360 -6.560 4.350
71 HE22 GLN 8 1HE2 GLN 8 12.939 -6.025 4.813
72 H VAL 9 H VAL 9 7.720 -2.249 0.897
73 HA VAL 9 HA VAL 9 8.854 -0.396 -1.095
74 HB VAL 9 HB VAL 9 6.499 0.251 -1.665
75 HG11 VAL 9 1HG1 VAL 9 7.773 -1.192 -3.143
76 HG12 VAL 9 2HG1 VAL 9 6.080 -1.690 -3.117
77 HG13 VAL 9 3HG1 VAL 9 7.285 -2.611 -2.216
78 HG21 VAL 9 3HG2 VAL 9 5.834 -2.236 -0.088
79 HG22 VAL 9 1HG2 VAL 9 4.708 -1.359 -1.125
80 HG23 VAL 9 2HG2 VAL 9 5.372 -0.581 0.312
81 H VAL 10 H VAL 10 8.049 1.841 -0.843
82 HA VAL 10 HA VAL 10 7.815 2.514 2.006
83 HB VAL 10 HB VAL 10 8.421 4.383 -0.291
84 HG11 VAL 10 1HG1 VAL 10 8.711 4.697 2.694
85 HG12 VAL 10 2HG1 VAL 10 7.543 5.515 1.657
86 HG13 VAL 10 3HG1 VAL 10 9.263 5.862 1.490
87 HG21 VAL 10 3HG2 VAL 10 10.321 2.952 1.557
88 HG22 VAL 10 1HG2 VAL 10 10.769 4.282 0.491
89 HG23 VAL 10 2HG2 VAL 10 10.192 2.761 -0.189
90 H VAL 11 H VAL 11 5.849 3.032 2.755
91 HA VAL 11 HA VAL 11 3.700 3.867 1.041
92 HB VAL 11 HB VAL 11 3.821 4.187 4.044
93 HG11 VAL 11 1HG1 VAL 11 1.986 5.353 2.952
94 HG12 VAL 11 2HG1 VAL 11 1.384 3.990 3.895
95 HG13 VAL 11 3HG1 VAL 11 1.505 3.862 2.141
96 HG21 VAL 11 3HG2 VAL 11 4.374 1.880 3.523
97 HG22 VAL 11 1HG2 VAL 11 2.963 1.759 2.471
98 HG23 VAL 11 2HG2 VAL 11 2.753 1.981 4.209
99 H SER 12 H SER 12 4.506 5.679 -0.044
100 HA SER 12 HA SER 12 5.925 7.715 1.380
101 HB2 SER 12 1HB SER 12 4.956 7.732 -1.483
102 HB3 SER 12 2HB SER 12 6.201 8.769 -0.787
103 HG SER 12 HG SER 12 7.559 7.069 -0.643
104 H ASN 13 H ASN 13 2.770 7.648 -0.303
105 HA ASN 13 HA ASN 13 1.958 9.974 1.243
106 HB2 ASN 13 1HB ASN 13 3.154 10.859 -0.761
107 HB3 ASN 13 2HB ASN 13 1.979 10.043 -1.784
108 HD21 ASN 13 2HD2 ASN 13 1.232 11.919 -2.706
109 HD22 ASN 13 1HD2 ASN 13 0.275 13.071 -1.833
110 H LYS 14 H LYS 14 -0.285 10.453 1.081
111 HA LYS 14 HA LYS 14 -1.949 8.148 0.394
112 HB2 LYS 14 1HB LYS 14 -3.731 9.449 1.581
113 HB3 LYS 14 2HB LYS 14 -2.340 9.068 2.588
114 HG2 LYS 14 1HG LYS 14 -1.479 11.332 2.267
115 HG3 LYS 14 2HG LYS 14 -2.867 11.717 1.248
116 HD2 LYS 14 1HD LYS 14 -4.372 11.409 3.104
117 HD3 LYS 14 2HD LYS 14 -3.052 10.840 4.128
118 HE2 LYS 14 1HE LYS 14 -1.974 13.036 3.938
119 HE3 LYS 14 2HE LYS 14 -3.318 13.603 2.946
120 HZ1 LYS 14 3HZ LYS 14 -3.522 14.277 5.271
121 HZ2 LYS 14 1HZ LYS 14 -3.551 12.651 5.752
122 HZ3 LYS 14 2HZ LYS 14 -4.809 13.276 4.801
123 H ARG 15 H ARG 15 -3.778 8.368 -0.973
124 HA ARG 15 HA ARG 15 -3.730 10.719 -2.739
125 HB2 ARG 15 1HB ARG 15 -3.705 7.826 -3.611
126 HB3 ARG 15 2HB ARG 15 -3.938 9.193 -4.689
127 HG2 ARG 15 1HG ARG 15 -1.524 9.289 -3.008
128 HG3 ARG 15 2HG ARG 15 -1.564 8.025 -4.236
129 HD2 ARG 15 1HD ARG 15 -2.107 10.932 -4.799
130 HD3 ARG 15 2HD ARG 15 -0.522 10.176 -4.975
131 HE ARG 15 HE ARG 15 -2.837 9.108 -6.439
132 HH11 ARG 15 1HH1 ARG 15 0.324 10.618 -6.436
133 HH12 ARG 15 2HH1 ARG 15 0.598 10.346 -8.136
134 HH21 ARG 15 1HH2 ARG 15 -2.489 8.746 -8.648
135 HH22 ARG 15 2HH2 ARG 15 -1.007 9.258 -9.396
136 H GLU 16 H GLU 16 -5.663 10.761 -4.204
137 HA GLU 16 HA GLU 16 -7.968 9.266 -3.241
138 HB2 GLU 16 1HB GLU 16 -7.988 11.306 -1.881
139 HB3 GLU 16 2HB GLU 16 -7.911 12.288 -3.339
140 HG2 GLU 16 1HG GLU 16 -10.085 11.205 -4.033
141 HG3 GLU 16 2HG GLU 16 -10.174 10.553 -2.396
142 H LYS 17 H LYS 17 -8.349 8.268 -5.166
143 HA LYS 17 HA LYS 17 -9.083 10.043 -7.399
144 HB2 LYS 17 1HB LYS 17 -8.300 7.125 -7.391
145 HB3 LYS 17 2HB LYS 17 -9.019 7.921 -8.781
146 HG2 LYS 17 1HG LYS 17 -6.455 8.805 -7.482
147 HG3 LYS 17 2HG LYS 17 -6.541 7.708 -8.859
148 HD2 LYS 17 1HD LYS 17 -7.692 9.451 -10.157
149 HD3 LYS 17 2HD LYS 17 -7.567 10.544 -8.775
150 HE2 LYS 17 1HE LYS 17 -5.154 10.471 -8.889
151 HE3 LYS 17 2HE LYS 17 -5.219 9.282 -10.187
152 HZ1 LYS 17 3HZ LYS 17 -6.281 10.926 -11.600
153 HZ2 LYS 17 1HZ LYS 17 -4.785 11.498 -11.032
154 HZ3 LYS 17 2HZ LYS 17 -6.224 12.077 -10.348
155 HA PRO 18 HA PRO 18 -13.168 8.746 -5.833
156 HB2 PRO 18 1HB PRO 18 -14.052 11.034 -7.451
157 HB3 PRO 18 2HB PRO 18 -14.290 10.723 -5.729
158 HG2 PRO 18 1HG PRO 18 -12.624 12.644 -6.613
159 HG3 PRO 18 2HG PRO 18 -12.301 11.719 -5.137
160 HD2 PRO 18 1HD PRO 18 -11.121 11.396 -7.870
161 HD3 PRO 18 2HD PRO 18 -10.329 11.303 -6.282
162 H VAL 19 H VAL 19 -14.792 7.634 -6.896
163 HA VAL 19 HA VAL 19 -14.129 6.887 -9.617
164 HB VAL 19 HB VAL 19 -16.431 5.848 -7.960
165 HG11 VAL 19 1HG1 VAL 19 -14.967 4.662 -10.320
166 HG12 VAL 19 2HG1 VAL 19 -16.577 5.378 -10.355
167 HG13 VAL 19 3HG1 VAL 19 -16.289 3.903 -9.433
168 HG21 VAL 19 3HG2 VAL 19 -14.967 3.986 -7.333
169 HG22 VAL 19 1HG2 VAL 19 -14.352 5.526 -6.732
170 HG23 VAL 19 2HG2 VAL 19 -13.615 4.775 -8.148
171 H ASN 20 H ASN 20 -14.632 8.970 -10.557
172 HA ASN 20 HA ASN 20 -17.428 9.682 -10.777
173 HB2 ASN 20 1HB ASN 20 -15.650 11.421 -10.865
174 HB3 ASN 20 2HB ASN 20 -15.053 10.705 -12.358
175 HD21 ASN 20 2HD2 ASN 20 -15.397 12.650 -13.446
176 HD22 ASN 20 1HD2 ASN 20 -16.987 13.170 -13.906
177 H ASP 21 H ASP 21 -18.516 8.042 -11.681
178 HA ASP 21 HA ASP 21 -17.319 6.673 -13.986
179 HB2 ASP 21 1HB ASP 21 -17.700 5.256 -12.060
180 HB3 ASP 21 2HB ASP 21 -19.376 5.780 -11.964
181 H ARG 22 H ARG 22 -20.537 7.480 -12.757
182 HA ARG 22 HA ARG 22 -21.347 8.201 -15.482
183 HB2 ARG 22 1HB ARG 22 -22.809 6.319 -13.621
184 HB3 ARG 22 2HB ARG 22 -23.571 7.080 -15.010
185 HG2 ARG 22 1HG ARG 22 -22.238 5.892 -16.531
186 HG3 ARG 22 2HG ARG 22 -21.091 5.411 -15.279
187 HD2 ARG 22 1HD ARG 22 -23.974 4.528 -15.391
188 HD3 ARG 22 2HD ARG 22 -22.614 3.582 -15.998
189 HE ARG 22 HE ARG 22 -21.787 3.907 -13.547
190 HH11 ARG 22 1HH1 ARG 22 -25.058 3.216 -14.625
191 HH12 ARG 22 2HH1 ARG 22 -25.523 2.464 -13.134
192 HH21 ARG 22 1HH2 ARG 22 -22.397 2.922 -11.595
193 HH22 ARG 22 2HH2 ARG 22 -23.996 2.261 -11.415
194 H ARG 23 H ARG 23 -23.102 7.870 -12.425
195 HA ARG 23 HA ARG 23 -23.090 10.600 -11.740
196 HB2 ARG 23 1HB ARG 23 -24.571 10.566 -13.849
197 HB3 ARG 23 2HB ARG 23 -25.748 9.719 -12.853
198 HG2 ARG 23 1HG ARG 23 -25.546 11.675 -11.237
199 HG3 ARG 23 2HG ARG 23 -24.712 12.516 -12.545
200 HD2 ARG 23 1HD ARG 23 -27.538 11.504 -12.472
201 HD3 ARG 23 2HD ARG 23 -26.971 13.155 -12.713
202 HE ARG 23 HE ARG 23 -25.973 12.113 -14.875
203 HH11 ARG 23 1HH1 ARG 23 -29.047 11.341 -13.389
204 HH12 ARG 23 2HH1 ARG 23 -29.799 10.875 -14.884
205 HH21 ARG 23 1HH2 ARG 23 -26.947 11.489 -16.843
206 HH22 ARG 23 2HH2 ARG 23 -28.599 10.930 -16.847
207 H SER 24 H SER 24 -22.775 9.823 -9.689
208 HA SER 24 HA SER 24 -24.604 7.923 -8.519
209 HB2 SER 24 1HB SER 24 -22.454 9.602 -7.199
210 HB3 SER 24 2HB SER 24 -23.255 8.194 -6.501
211 HG SER 24 HG SER 24 -21.321 7.509 -7.352
212 H ARG 25 H ARG 25 -26.411 8.395 -7.353
213 HA ARG 25 HA ARG 25 -27.354 11.102 -7.516
214 HB2 ARG 25 1HB ARG 25 -28.622 8.670 -6.254
215 HB3 ARG 25 2HB ARG 25 -29.414 10.226 -6.454
216 HG2 ARG 25 1HG ARG 25 -28.907 9.931 -8.955
217 HG3 ARG 25 2HG ARG 25 -28.620 8.238 -8.543
218 HD2 ARG 25 1HD ARG 25 -30.899 8.458 -9.237
219 HD3 ARG 25 2HD ARG 25 -30.879 8.181 -7.496
220 HE ARG 25 HE ARG 25 -31.007 10.950 -8.423
221 HH11 ARG 25 1HH1 ARG 25 -32.629 8.208 -6.947
222 HH12 ARG 25 2HH1 ARG 25 -34.030 9.133 -6.481
223 HH21 ARG 25 1HH2 ARG 25 -32.841 12.144 -7.839
224 HH22 ARG 25 2HH2 ARG 25 -34.153 11.376 -6.998
225 H GLN 26 H GLN 26 -27.069 12.622 -6.103
226 HA GLN 26 HA GLN 26 -26.123 11.926 -3.427
227 HB2 GLN 26 1HB GLN 26 -26.081 14.540 -4.947
228 HB3 GLN 26 2HB GLN 26 -25.454 14.321 -3.317
229 HG2 GLN 26 1HG GLN 26 -23.780 12.806 -4.088
230 HG3 GLN 26 2HG GLN 26 -24.484 12.764 -5.701
231 HE21 GLN 26 2HE2 GLN 26 -21.800 13.447 -4.816
232 HE22 GLN 26 1HE2 GLN 26 -21.489 15.035 -5.431
233 H GLN 27 H GLN 27 -27.699 11.652 -2.043
234 HA GLN 27 HA GLN 27 -30.317 12.634 -2.374
235 HB2 GLN 27 1HB GLN 27 -28.940 11.406 0.013
236 HB3 GLN 27 2HB GLN 27 -30.660 11.768 -0.045
237 HG2 GLN 27 1HG GLN 27 -30.953 10.226 -1.885
238 HG3 GLN 27 2HG GLN 27 -29.218 9.915 -1.925
239 HE21 GLN 27 2HE2 GLN 27 -31.463 8.092 -1.504
240 HE22 GLN 27 1HE2 GLN 27 -31.166 7.317 0.015
241 H GLU 28 H GLU 28 -31.483 14.092 -1.154
242 HA GLU 28 HA GLU 28 -30.017 16.472 -0.491
243 HB2 GLU 28 1HB GLU 28 -32.112 16.573 -1.721
244 HB3 GLU 28 2HB GLU 28 -32.958 15.793 -0.396
245 HG2 GLU 28 1HG GLU 28 -32.638 17.708 1.008
246 HG3 GLU 28 2HG GLU 28 -31.612 18.472 -0.207
247 H VAL 29 H VAL 29 -29.177 16.852 1.415
248 HA VAL 29 HA VAL 29 -28.945 17.122 3.657
249 HB VAL 29 HB VAL 29 -31.659 15.819 3.925
250 HG11 VAL 29 1HG1 VAL 29 -31.655 16.712 6.207
251 HG12 VAL 29 2HG1 VAL 29 -30.002 17.283 5.980
252 HG13 VAL 29 3HG1 VAL 29 -30.348 15.554 5.964
253 HG21 VAL 29 3HG2 VAL 29 -30.853 18.724 4.055
254 HG22 VAL 29 1HG2 VAL 29 -32.474 18.088 4.326
255 HG23 VAL 29 2HG2 VAL 29 -31.729 17.953 2.732
256 H SER 30 H SER 30 -30.215 13.965 2.697
257 HA SER 30 HA SER 30 -28.983 12.545 4.842
258 HB2 SER 30 1HB SER 30 -30.962 11.637 3.807
259 HB3 SER 30 2HB SER 30 -30.185 11.613 2.227
260 HG SER 30 HG SER 30 -29.601 9.673 2.724
261 HA PRO 31 HA PRO 31 -25.034 12.150 2.668
262 HB2 PRO 31 1HB PRO 31 -23.509 12.673 4.815
263 HB3 PRO 31 2HB PRO 31 -24.388 13.952 3.972
264 HG2 PRO 31 1HG PRO 31 -24.870 12.820 6.629
265 HG3 PRO 31 2HG PRO 31 -25.492 14.319 5.923
266 HD2 PRO 31 1HD PRO 31 -26.768 11.685 6.099
267 HD3 PRO 31 2HD PRO 31 -27.494 13.261 5.713
268 H ALA 32 H ALA 32 -26.616 9.874 3.814
269 HA ALA 32 HA ALA 32 -24.822 8.397 5.515
270 HB1 ALA 32 3HB ALA 32 -26.538 6.687 5.523
271 HB2 ALA 32 1HB ALA 32 -27.395 7.513 4.221
272 HB3 ALA 32 2HB ALA 32 -27.250 8.276 5.804
273 H GLY 33 H GLY 33 -24.907 8.870 2.220
274 HA2 GLY 33 1HA GLY 33 -23.877 6.175 1.640
275 HA3 GLY 33 2HA GLY 33 -24.433 7.333 0.442
276 H THR 34 H THR 34 -22.461 8.641 2.909
277 HA THR 34 HA THR 34 -20.365 9.087 0.942
278 HB THR 34 HB THR 34 -20.513 10.222 3.737
279 HG1 THR 34 HG1 THR 34 -21.472 12.059 2.660
280 HG21 THR 34 3HG2 THR 34 -18.335 10.412 2.639
281 HG22 THR 34 1HG2 THR 34 -19.106 11.993 2.772
282 HG23 THR 34 2HG2 THR 34 -19.102 11.141 1.228
283 H SER 35 H SER 35 -19.194 7.219 0.828
284 HA SER 35 HA SER 35 -17.750 6.472 3.279
285 HB2 SER 35 1HB SER 35 -19.258 4.672 2.416
286 HB3 SER 35 2HB SER 35 -18.350 4.684 0.904
287 HG SER 35 HG SER 35 -17.742 3.071 2.574
288 H MET 36 H MET 36 -15.934 7.680 3.083
289 HA MET 36 HA MET 36 -14.661 8.077 0.533
290 HB2 MET 36 1HB MET 36 -13.886 8.874 3.333
291 HB3 MET 36 2HB MET 36 -12.889 9.222 1.929
292 HG2 MET 36 1HG MET 36 -14.799 10.464 0.951
293 HG3 MET 36 2HG MET 36 -15.678 10.211 2.458
294 HE1 MET 36 3HE MET 36 -11.810 10.872 2.098
295 HE2 MET 36 1HE MET 36 -11.761 12.633 2.163
296 HE3 MET 36 2HE MET 36 -12.518 11.822 0.792
297 H ARG 37 H ARG 37 -13.639 6.455 -0.367
298 HA ARG 37 HA ARG 37 -11.960 4.707 1.259
299 HB2 ARG 37 1HB ARG 37 -12.828 4.590 -1.630
300 HB3 ARG 37 2HB ARG 37 -11.683 3.462 -0.918
301 HG2 ARG 37 1HG ARG 37 -13.319 2.594 0.558
302 HG3 ARG 37 2HG ARG 37 -14.453 3.886 0.161
303 HD2 ARG 37 1HD ARG 37 -14.719 3.040 -2.069
304 HD3 ARG 37 2HD ARG 37 -13.449 1.843 -1.813
305 HE ARG 37 HE ARG 37 -14.906 0.601 -0.459
306 HH11 ARG 37 1HH1 ARG 37 -16.427 3.493 -1.715
307 HH12 ARG 37 2HH1 ARG 37 -18.043 2.948 -1.388
308 HH21 ARG 37 1HH2 ARG 37 -17.016 -0.141 -0.049
309 HH22 ARG 37 2HH2 ARG 37 -18.381 0.874 -0.420
310 H TYR 38 H TYR 38 -10.033 5.508 1.674
311 HA TYR 38 HA TYR 38 -8.774 7.515 0.078
312 HB2 TYR 38 1HB TYR 38 -7.572 5.856 2.307
313 HB3 TYR 38 2HB TYR 38 -6.944 7.372 1.676
314 HD1 TYR 38 HD2 TYR 38 -8.012 9.496 2.254
315 HD2 TYR 38 HD1 TYR 38 -9.443 5.813 3.835
316 HE1 TYR 38 HE2 TYR 38 -9.266 10.728 3.975
317 HE2 TYR 38 HE1 TYR 38 -10.697 7.034 5.561
318 HH TYR 38 HH TYR 38 -11.106 10.467 5.474
319 H GLU 39 H GLU 39 -6.349 7.153 -0.440
320 HA GLU 39 HA GLU 39 -5.855 4.444 -1.446
321 HB2 GLU 39 1HB GLU 39 -5.268 7.020 -2.917
322 HB3 GLU 39 2HB GLU 39 -4.696 5.434 -3.408
323 HG2 GLU 39 1HG GLU 39 -7.045 4.716 -3.676
324 HG3 GLU 39 2HG GLU 39 -7.555 6.361 -3.289
325 H ALA 40 H ALA 40 -3.712 3.791 -1.372
326 HA ALA 40 HA ALA 40 -1.835 5.656 -0.082
327 HB1 ALA 40 3HB ALA 40 -2.070 2.688 0.434
328 HB2 ALA 40 1HB ALA 40 -2.569 3.974 1.537
329 HB3 ALA 40 2HB ALA 40 -0.864 3.767 1.135
330 H SER 41 H SER 41 0.007 5.943 -1.167
331 HA SER 41 HA SER 41 0.476 4.274 -3.512
332 HB2 SER 41 1HB SER 41 1.800 6.858 -2.643
333 HB3 SER 41 2HB SER 41 2.110 6.012 -4.158
334 HG SER 41 HG SER 41 -0.048 6.373 -4.752
335 H PHE 42 H PHE 42 1.820 2.659 -3.433
336 HA PHE 42 HA PHE 42 3.903 2.598 -1.369
337 HB2 PHE 42 1HB PHE 42 2.837 0.380 -3.136
338 HB3 PHE 42 2HB PHE 42 4.035 0.186 -1.861
339 HD1 PHE 42 HD2 PHE 42 3.341 0.678 0.520
340 HD2 PHE 42 HD1 PHE 42 0.548 0.284 -2.663
341 HE1 PHE 42 HE2 PHE 42 1.542 0.291 2.152
342 HE2 PHE 42 HE1 PHE 42 -1.256 -0.104 -1.037
343 HZ PHE 42 HZ PHE 42 -0.760 -0.100 1.375
344 H LYS 43 H LYS 43 5.886 3.123 -1.963
345 HA LYS 43 HA LYS 43 6.390 3.463 -4.818
346 HB2 LYS 43 1HB LYS 43 6.688 5.377 -3.275
347 HB3 LYS 43 2HB LYS 43 7.943 4.480 -2.432
348 HG2 LYS 43 1HG LYS 43 9.362 4.530 -4.360
349 HG3 LYS 43 2HG LYS 43 8.076 5.235 -5.343
350 HD2 LYS 43 1HD LYS 43 8.093 7.224 -3.880
351 HD3 LYS 43 2HD LYS 43 9.432 6.520 -2.972
352 HE2 LYS 43 1HE LYS 43 10.816 6.535 -4.974
353 HE3 LYS 43 2HE LYS 43 9.473 7.183 -5.914
354 HZ1 LYS 43 3HZ LYS 43 10.816 8.541 -3.638
355 HZ2 LYS 43 1HZ LYS 43 9.509 9.165 -4.525
356 HZ3 LYS 43 2HZ LYS 43 11.010 8.925 -5.279
357 HA PRO 44 HA PRO 44 8.946 -0.211 -4.827
358 HB2 PRO 44 1HB PRO 44 9.694 0.859 -7.478
359 HB3 PRO 44 2HB PRO 44 9.006 -0.711 -7.056
360 HG2 PRO 44 1HG PRO 44 7.548 1.157 -8.294
361 HG3 PRO 44 2HG PRO 44 6.836 0.085 -7.072
362 HD2 PRO 44 1HD PRO 44 7.706 2.938 -6.817
363 HD3 PRO 44 2HD PRO 44 6.273 2.132 -6.145
364 H LEU 45 H LEU 45 11.027 -0.490 -4.264
365 HA LEU 45 HA LEU 45 12.594 1.814 -3.687
366 HB2 LEU 45 1HB LEU 45 13.206 -1.127 -3.461
367 HB3 LEU 45 2HB LEU 45 14.284 0.140 -2.907
368 HG LEU 45 HG LEU 45 11.488 -0.328 -1.872
369 HD11 LEU 45 1HD1 LEU 45 14.167 -0.955 -0.644
370 HD12 LEU 45 2HD1 LEU 45 12.972 -2.124 -1.215
371 HD13 LEU 45 3HD1 LEU 45 12.605 -1.087 0.167
372 HD21 LEU 45 3HD2 LEU 45 12.181 2.012 -1.762
373 HD22 LEU 45 1HD2 LEU 45 13.658 1.537 -0.923
374 HD23 LEU 45 2HD2 LEU 45 12.089 1.290 -0.155
375 H ASN 46 H ASN 46 12.514 -0.442 -6.335
376 HA ASN 46 HA ASN 46 15.117 0.479 -7.276
377 HB2 ASN 46 1HB ASN 46 13.229 -1.601 -8.391
378 HB3 ASN 46 2HB ASN 46 14.750 -1.154 -9.152
379 HD21 ASN 46 2HD2 ASN 46 15.660 -3.139 -8.975
380 HD22 ASN 46 1HD2 ASN 46 16.129 -3.846 -7.463
381 H GLY 47 H GLY 47 12.544 2.018 -7.146
382 HA2 GLY 47 1HA GLY 47 11.677 3.785 -8.355
383 HA3 GLY 47 2HA GLY 47 12.853 3.437 -9.614
384 H GLY 48 H GLY 48 10.149 4.189 -10.041
385 HA2 GLY 48 1HA GLY 48 9.386 2.863 -12.200
386 HA3 GLY 48 2HA GLY 48 8.829 1.755 -10.952
387 H LEU 49 H LEU 49 6.665 2.036 -11.484
388 HA LEU 49 HA LEU 49 5.543 4.691 -10.964
389 HB2 LEU 49 1HB LEU 49 4.773 3.479 -12.970
390 HB3 LEU 49 2HB LEU 49 4.218 2.161 -11.956
391 HG LEU 49 HG LEU 49 2.585 3.695 -10.896
392 HD11 LEU 49 1HD1 LEU 49 3.499 5.645 -13.006
393 HD12 LEU 49 2HD1 LEU 49 3.790 5.793 -11.272
394 HD13 LEU 49 3HD1 LEU 49 2.143 5.866 -11.900
395 HD21 LEU 49 3HD2 LEU 49 1.069 3.822 -12.806
396 HD22 LEU 49 1HD2 LEU 49 1.925 2.281 -12.771
397 HD23 LEU 49 2HD2 LEU 49 2.421 3.539 -13.902
398 H GLU 50 H GLU 50 4.834 5.145 -8.992
399 HA GLU 50 HA GLU 50 4.891 3.336 -6.859
400 HB2 GLU 50 1HB GLU 50 3.574 6.023 -7.193
401 HB3 GLU 50 2HB GLU 50 3.427 5.108 -5.702
402 HG2 GLU 50 1HG GLU 50 5.178 6.725 -5.476
403 HG3 GLU 50 2HG GLU 50 5.878 5.110 -5.489
404 H LYS 51 H LYS 51 3.494 1.886 -6.112
405 HA LYS 51 HA LYS 51 1.096 1.395 -7.653
406 HB2 LYS 51 1HB LYS 51 2.469 -0.080 -5.416
407 HB3 LYS 51 2HB LYS 51 0.874 -0.550 -5.981
408 HG2 LYS 51 1HG LYS 51 1.830 -0.837 -8.257
409 HG3 LYS 51 2HG LYS 51 3.426 -0.519 -7.572
410 HD2 LYS 51 1HD LYS 51 3.327 -2.458 -6.208
411 HD3 LYS 51 2HD LYS 51 1.610 -2.684 -6.540
412 HE2 LYS 51 1HE LYS 51 2.820 -4.296 -7.816
413 HE3 LYS 51 2HE LYS 51 2.200 -3.081 -8.930
414 HZ1 LYS 51 3HZ LYS 51 4.467 -3.661 -9.462
415 HZ2 LYS 51 1HZ LYS 51 4.983 -3.247 -7.906
416 HZ3 LYS 51 2HZ LYS 51 4.400 -2.045 -8.947
417 H THR 52 H THR 52 -0.523 2.729 -7.223
418 HA THR 52 HA THR 52 -1.083 3.456 -4.440
419 HB THR 52 HB THR 52 -2.335 4.582 -6.951
420 HG1 THR 52 HG1 THR 52 -0.010 4.881 -6.817
421 HG21 THR 52 3HG2 THR 52 -2.922 6.462 -5.502
422 HG22 THR 52 1HG2 THR 52 -2.151 5.658 -4.133
423 HG23 THR 52 2HG2 THR 52 -3.591 4.957 -4.869
424 H PHE 53 H PHE 53 -2.356 2.029 -3.460
425 HA PHE 53 HA PHE 53 -4.565 0.828 -4.987
426 HB2 PHE 53 1HB PHE 53 -3.203 -0.083 -2.445
427 HB3 PHE 53 2HB PHE 53 -4.635 -0.850 -3.124
428 HD1 PHE 53 HD2 PHE 53 -4.475 -1.867 -5.427
429 HD2 PHE 53 HD1 PHE 53 -1.065 -0.635 -3.200
430 HE1 PHE 53 HE2 PHE 53 -3.048 -3.291 -6.835
431 HE2 PHE 53 HE1 PHE 53 0.369 -2.059 -4.603
432 HZ PHE 53 HZ PHE 53 -0.622 -3.390 -6.423
433 H ARG 54 H ARG 54 -6.618 1.213 -4.447
434 HA ARG 54 HA ARG 54 -7.181 3.230 -2.483
435 HB2 ARG 54 1HB ARG 54 -8.406 3.059 -4.646
436 HB3 ARG 54 2HB ARG 54 -9.115 1.550 -4.090
437 HG2 ARG 54 1HG ARG 54 -10.398 2.618 -2.455
438 HG3 ARG 54 2HG ARG 54 -9.435 4.095 -2.541
439 HD2 ARG 54 1HD ARG 54 -11.585 4.413 -3.629
440 HD3 ARG 54 2HD ARG 54 -10.276 4.506 -4.803
441 HE ARG 54 HE ARG 54 -11.769 1.992 -4.467
442 HH11 ARG 54 1HH1 ARG 54 -10.803 4.719 -6.459
443 HH12 ARG 54 2HH1 ARG 54 -11.436 4.031 -7.927
444 HH21 ARG 54 1HH2 ARG 54 -12.614 1.105 -6.386
445 HH22 ARG 54 2HH2 ARG 54 -12.470 1.976 -7.881
446 H LEU 55 H LEU 55 -7.814 2.967 -0.457
447 HA LEU 55 HA LEU 55 -8.251 0.217 0.515
448 HB2 LEU 55 1HB LEU 55 -6.576 2.428 1.708
449 HB3 LEU 55 2HB LEU 55 -6.999 0.957 2.568
450 HG LEU 55 HG LEU 55 -5.379 1.064 0.021
451 HD11 LEU 55 1HD1 LEU 55 -4.523 0.614 2.877
452 HD12 LEU 55 2HD1 LEU 55 -4.165 2.034 1.893
453 HD13 LEU 55 3HD1 LEU 55 -3.487 0.465 1.456
454 HD21 LEU 55 3HD2 LEU 55 -5.987 -1.223 1.892
455 HD22 LEU 55 1HD2 LEU 55 -4.932 -1.290 0.480
456 HD23 LEU 55 2HD2 LEU 55 -6.660 -1.004 0.276
457 H GLN 56 H GLN 56 -9.340 0.101 2.605
458 HA GLN 56 HA GLN 56 -11.454 2.069 2.857
459 HB2 GLN 56 1HB GLN 56 -11.866 -0.389 3.079
460 HB3 GLN 56 2HB GLN 56 -10.895 -0.383 4.543
461 HG2 GLN 56 1HG GLN 56 -12.484 1.157 5.587
462 HG3 GLN 56 2HG GLN 56 -13.463 1.127 4.121
463 HE21 GLN 56 2HE2 GLN 56 -12.960 -1.714 3.662
464 HE22 GLN 56 1HE2 GLN 56 -13.929 -2.561 4.825
465 H ALA 57 H ALA 57 -11.942 3.033 4.997
466 HA ALA 57 HA ALA 57 -9.889 4.613 5.931
467 HB1 ALA 57 3HB ALA 57 -12.243 5.133 6.268
468 HB2 ALA 57 1HB ALA 57 -11.359 5.199 7.792
469 HB3 ALA 57 2HB ALA 57 -12.382 3.810 7.425
470 H GLN 58 H GLN 58 -11.130 1.626 7.419
471 HA GLN 58 HA GLN 58 -9.469 1.706 9.690
472 HB2 GLN 58 1HB GLN 58 -10.760 -0.656 8.323
473 HB3 GLN 58 2HB GLN 58 -9.994 -0.718 9.902
474 HG2 GLN 58 1HG GLN 58 -11.620 0.965 10.707
475 HG3 GLN 58 2HG GLN 58 -12.429 0.873 9.142
476 HE21 GLN 58 2HE2 GLN 58 -13.413 0.228 11.812
477 HE22 GLN 58 1HE2 GLN 58 -13.911 -1.427 11.764
478 H GLN 59 H GLN 59 -8.960 0.481 6.463
479 HA GLN 59 HA GLN 59 -6.594 -1.009 7.104
480 HB2 GLN 59 1HB GLN 59 -7.746 -0.116 4.454
481 HB3 GLN 59 2HB GLN 59 -6.372 -1.201 4.630
482 HG2 GLN 59 1HG GLN 59 -7.746 -2.845 5.718
483 HG3 GLN 59 2HG GLN 59 -9.124 -1.746 5.721
484 HE21 GLN 59 2HE2 GLN 59 -8.794 -4.413 4.572
485 HE22 GLN 59 1HE2 GLN 59 -9.192 -4.245 2.895
486 H TYR 60 H TYR 60 -7.338 2.153 5.761
487 HA TYR 60 HA TYR 60 -4.670 2.930 5.222
488 HB2 TYR 60 1HB TYR 60 -6.457 4.128 4.166
489 HB3 TYR 60 2HB TYR 60 -7.199 4.511 5.714
490 HD1 TYR 60 HD1 TYR 60 -3.931 5.012 3.960
491 HD2 TYR 60 HD2 TYR 60 -6.919 6.649 6.510
492 HE1 TYR 60 HE1 TYR 60 -2.702 7.140 4.026
493 HE2 TYR 60 HE2 TYR 60 -5.697 8.782 6.581
494 HH TYR 60 HH TYR 60 -3.612 9.726 6.187
495 H HIS 61 H HIS 61 -6.535 2.717 8.104
496 HA HIS 61 HA HIS 61 -4.788 4.443 9.637
497 HB2 HIS 61 1HB HIS 61 -7.214 4.306 10.133
498 HB3 HIS 61 2HB HIS 61 -7.015 2.612 10.563
499 HD1 HIS 61 HD1 HIS 61 -6.434 2.114 12.933
500 HD2 HIS 61 HD2 HIS 61 -5.789 6.105 11.942
501 HE1 HIS 61 HE1 HIS 61 -5.858 3.272 15.096
502 HE2 HIS 61 HE2 HIS 61 -5.500 5.693 14.481
503 H ALA 62 H ALA 62 -4.913 1.157 8.707
504 HA ALA 62 HA ALA 62 -3.533 0.083 10.988
505 HB1 ALA 62 3HB ALA 62 -5.056 -1.311 9.694
506 HB2 ALA 62 1HB ALA 62 -3.428 -1.986 9.684
507 HB3 ALA 62 2HB ALA 62 -4.035 -1.125 8.270
508 H LEU 63 H LEU 63 -2.645 0.673 7.589
509 HA LEU 63 HA LEU 63 0.161 0.358 8.282
510 HB2 LEU 63 1HB LEU 63 0.500 0.718 5.791
511 HB3 LEU 63 2HB LEU 63 -0.328 -0.745 6.278
512 HG LEU 63 HG LEU 63 -2.483 0.721 5.808
513 HD11 LEU 63 1HD1 LEU 63 -1.315 2.783 5.308
514 HD12 LEU 63 2HD1 LEU 63 -2.146 2.186 3.871
515 HD13 LEU 63 3HD1 LEU 63 -0.403 1.978 4.031
516 HD21 LEU 63 3HD2 LEU 63 -2.524 -0.206 3.547
517 HD22 LEU 63 1HD2 LEU 63 -1.925 -1.380 4.718
518 HD23 LEU 63 2HD2 LEU 63 -0.795 -0.542 3.653
519 H THR 64 H THR 64 1.705 1.997 8.056
520 HA THR 64 HA THR 64 0.483 4.658 8.361
521 HB THR 64 HB THR 64 3.099 3.759 9.567
522 HG1 THR 64 HG1 THR 64 0.624 2.969 10.204
523 HG21 THR 64 3HG2 THR 64 2.765 6.185 9.429
524 HG22 THR 64 1HG2 THR 64 2.707 5.634 11.104
525 HG23 THR 64 2HG2 THR 64 1.213 6.022 10.251
526 H VAL 65 H VAL 65 1.363 6.409 7.338
527 HA VAL 65 HA VAL 65 2.926 6.080 5.029
528 HB VAL 65 HB VAL 65 2.300 8.551 6.651
529 HG11 VAL 65 1HG1 VAL 65 3.043 9.858 4.713
530 HG12 VAL 65 2HG1 VAL 65 3.603 8.379 3.934
531 HG13 VAL 65 3HG1 VAL 65 4.368 8.936 5.421
532 HG21 VAL 65 3HG2 VAL 65 0.747 9.016 4.802
533 HG22 VAL 65 1HG2 VAL 65 0.375 7.495 5.616
534 HG23 VAL 65 2HG2 VAL 65 1.198 7.481 4.054
535 H GLY 66 H GLY 66 5.053 6.116 4.660
536 HA2 GLY 66 1HA GLY 66 7.317 6.580 5.070
537 HA3 GLY 66 2HA GLY 66 6.911 7.018 6.727
538 H ASP 67 H ASP 67 5.269 4.291 6.423
539 HA ASP 67 HA ASP 67 7.320 2.781 7.765
540 HB2 ASP 67 1HB ASP 67 4.962 2.674 8.524
541 HB3 ASP 67 2HB ASP 67 4.530 1.894 7.004
542 H GLN 68 H GLN 68 8.877 2.399 6.253
543 HA GLN 68 HA GLN 68 8.442 1.082 3.782
544 HB2 GLN 68 1HB GLN 68 10.902 0.944 5.537
545 HB3 GLN 68 2HB GLN 68 10.824 0.622 3.811
546 HG2 GLN 68 1HG GLN 68 10.336 2.938 3.360
547 HG3 GLN 68 2HG GLN 68 10.268 3.291 5.085
548 HE21 GLN 68 2HE2 GLN 68 12.004 4.416 3.011
549 HE22 GLN 68 1HE2 GLN 68 13.624 4.127 3.552
550 H GLY 69 H GLY 69 7.699 -0.943 3.497
551 HA2 GLY 69 1HA GLY 69 8.573 -3.096 5.208
552 HA3 GLY 69 2HA GLY 69 6.895 -2.643 5.453
553 H THR 70 H THR 70 6.944 -5.054 4.789
554 HA THR 70 HA THR 70 7.477 -5.599 2.017
555 HB THR 70 HB THR 70 6.192 -7.431 4.047
556 HG1 THR 70 HG1 THR 70 8.422 -8.157 4.348
557 HG21 THR 70 3HG2 THR 70 7.840 -8.013 1.586
558 HG22 THR 70 1HG2 THR 70 6.087 -8.168 1.703
559 HG23 THR 70 2HG2 THR 70 7.131 -9.205 2.674
560 H LEU 71 H LEU 71 6.039 -5.806 0.390
561 HA LEU 71 HA LEU 71 3.177 -5.558 1.051
562 HB2 LEU 71 1HB LEU 71 4.072 -3.606 -0.145
563 HB3 LEU 71 2HB LEU 71 4.656 -4.651 -1.425
564 HG LEU 71 HG LEU 71 2.325 -5.262 -1.970
565 HD11 LEU 71 1HD1 LEU 71 0.490 -3.992 -0.991
566 HD12 LEU 71 2HD1 LEU 71 1.621 -3.192 0.102
567 HD13 LEU 71 3HD1 LEU 71 1.345 -4.930 0.231
568 HD21 LEU 71 3HD2 LEU 71 3.419 -3.439 -3.162
569 HD22 LEU 71 1HD2 LEU 71 2.873 -2.296 -1.937
570 HD23 LEU 71 2HD2 LEU 71 1.696 -3.119 -2.963
571 H SER 72 H SER 72 1.988 -7.260 0.586
572 HA SER 72 HA SER 72 3.082 -9.341 -1.182
573 HB2 SER 72 1HB SER 72 0.823 -9.552 0.819
574 HB3 SER 72 2HB SER 72 1.653 -10.876 -0.001
575 HG SER 72 HG SER 72 3.201 -9.098 1.487
576 H TYR 73 H TYR 73 2.255 -9.454 -3.156
577 HA TYR 73 HA TYR 73 -0.594 -9.058 -3.560
578 HB2 TYR 73 1HB TYR 73 -0.215 -7.485 -5.459
579 HB3 TYR 73 2HB TYR 73 0.213 -6.805 -3.894
580 HD1 TYR 73 HD1 TYR 73 2.600 -6.518 -3.285
581 HD2 TYR 73 HD2 TYR 73 1.428 -7.793 -7.171
582 HE1 TYR 73 HE1 TYR 73 4.831 -5.944 -4.138
583 HE2 TYR 73 HE2 TYR 73 3.659 -7.224 -8.036
584 HH TYR 73 HH TYR 73 6.301 -6.570 -6.019
585 H LYS 74 H LYS 74 -1.284 -9.706 -5.718
586 HA LYS 74 HA LYS 74 0.634 -11.463 -7.098
587 HB2 LYS 74 1HB LYS 74 -2.283 -12.045 -6.540
588 HB3 LYS 74 2HB LYS 74 -1.254 -13.009 -7.588
589 HG2 LYS 74 1HG LYS 74 0.171 -13.566 -5.681
590 HG3 LYS 74 2HG LYS 74 -0.863 -12.593 -4.631
591 HD2 LYS 74 1HD LYS 74 -2.762 -14.042 -5.153
592 HD3 LYS 74 2HD LYS 74 -1.736 -15.011 -6.211
593 HE2 LYS 74 1HE LYS 74 -0.360 -15.662 -4.319
594 HE3 LYS 74 2HE LYS 74 -1.309 -14.630 -3.249
595 HZ1 LYS 74 3HZ LYS 74 -1.966 -16.968 -3.105
596 HZ2 LYS 74 1HZ LYS 74 -2.369 -16.966 -4.749
597 HZ3 LYS 74 2HZ LYS 74 -3.241 -15.997 -3.668
598 H GLY 75 H GLY 75 1.033 -10.259 -8.872
599 HA2 GLY 75 1HA GLY 75 0.642 -9.213 -10.883
600 HA3 GLY 75 2HA GLY 75 -0.998 -9.848 -10.815
601 H THR 76 H THR 76 -2.554 -8.379 -10.692
602 HA THR 76 HA THR 76 -1.885 -5.667 -9.836
603 HB THR 76 HB THR 76 -4.239 -5.186 -10.678
604 HG1 THR 76 HG1 THR 76 -5.311 -7.019 -10.915
605 HG21 THR 76 3HG2 THR 76 -2.227 -4.693 -11.998
606 HG22 THR 76 1HG2 THR 76 -3.565 -5.210 -13.025
607 HG23 THR 76 2HG2 THR 76 -2.259 -6.333 -12.648
608 H ARG 77 H ARG 77 -3.050 -8.442 -8.430
609 HA ARG 77 HA ARG 77 -5.184 -7.202 -6.911
610 HB2 ARG 77 1HB ARG 77 -5.474 -9.490 -7.740
611 HB3 ARG 77 2HB ARG 77 -4.097 -10.016 -6.778
612 HG2 ARG 77 1HG ARG 77 -5.258 -9.535 -4.737
613 HG3 ARG 77 2HG ARG 77 -6.599 -8.804 -5.623
614 HD2 ARG 77 1HD ARG 77 -7.021 -11.000 -6.694
615 HD3 ARG 77 2HD ARG 77 -5.758 -11.698 -5.680
616 HE ARG 77 HE ARG 77 -7.130 -11.274 -3.759
617 HH11 ARG 77 1HH1 ARG 77 -8.701 -10.796 -6.863
618 HH12 ARG 77 2HH1 ARG 77 -10.309 -10.924 -6.203
619 HH21 ARG 77 1HH2 ARG 77 -9.259 -11.440 -2.907
620 HH22 ARG 77 2HH2 ARG 77 -10.619 -11.296 -3.978
621 H PHE 78 H PHE 78 -4.753 -6.043 -5.226
622 HA PHE 78 HA PHE 78 -2.428 -6.244 -3.603
623 HB2 PHE 78 1HB PHE 78 -3.746 -4.164 -3.850
624 HB3 PHE 78 2HB PHE 78 -5.112 -4.936 -3.064
625 HD1 PHE 78 HD2 PHE 78 -1.762 -3.522 -2.571
626 HD2 PHE 78 HD1 PHE 78 -5.199 -5.170 -0.676
627 HE1 PHE 78 HE2 PHE 78 -0.966 -2.682 -0.401
628 HE2 PHE 78 HE1 PHE 78 -4.409 -4.327 1.497
629 HZ PHE 78 HZ PHE 78 -2.289 -3.077 1.639
630 H VAL 79 H VAL 79 -2.055 -8.026 -2.402
631 HA VAL 79 HA VAL 79 -4.291 -9.562 -1.363
632 HB VAL 79 HB VAL 79 -1.319 -10.086 -1.124
633 HG11 VAL 79 1HG1 VAL 79 -2.547 -11.174 0.662
634 HG12 VAL 79 2HG1 VAL 79 -2.009 -12.376 -0.513
635 HG13 VAL 79 3HG1 VAL 79 -3.692 -11.845 -0.500
636 HG21 VAL 79 3HG2 VAL 79 -2.083 -10.148 -3.439
637 HG22 VAL 79 1HG2 VAL 79 -3.376 -11.261 -2.995
638 HG23 VAL 79 2HG2 VAL 79 -1.692 -11.770 -2.867
639 H GLY 80 H GLY 80 -1.472 -7.800 -0.093
640 HA2 GLY 80 1HA GLY 80 -2.789 -6.586 2.002
641 HA3 GLY 80 2HA GLY 80 -2.247 -8.132 2.636
642 H PHE 81 H PHE 81 -1.469 -5.366 3.305
643 HA PHE 81 HA PHE 81 1.359 -5.348 2.568
644 HB2 PHE 81 1HB PHE 81 0.117 -3.218 2.436
645 HB3 PHE 81 2HB PHE 81 -0.281 -3.343 4.144
646 HD1 PHE 81 HD1 PHE 81 2.512 -2.926 1.759
647 HD2 PHE 81 HD2 PHE 81 1.215 -2.592 5.799
648 HE1 PHE 81 HE1 PHE 81 4.576 -1.708 2.319
649 HE2 PHE 81 HE2 PHE 81 3.276 -1.374 6.363
650 HZ PHE 81 HZ PHE 81 4.959 -0.929 4.622
651 H VAL 82 H VAL 82 2.935 -5.913 3.965
652 HA VAL 82 HA VAL 82 2.090 -6.684 6.684
653 HB VAL 82 HB VAL 82 4.302 -7.942 5.044
654 HG11 VAL 82 1HG1 VAL 82 4.744 -8.006 7.436
655 HG12 VAL 82 2HG1 VAL 82 4.372 -9.620 6.825
656 HG13 VAL 82 3HG1 VAL 82 3.153 -8.714 7.724
657 HG21 VAL 82 3HG2 VAL 82 1.560 -9.006 5.718
658 HG22 VAL 82 1HG2 VAL 82 2.846 -9.917 4.926
659 HG23 VAL 82 2HG2 VAL 82 2.131 -8.520 4.122
660 H SER 83 H SER 83 2.768 -5.105 7.982
661 HA SER 83 HA SER 83 4.996 -3.449 7.464
662 HB2 SER 83 1HB SER 83 3.022 -2.837 8.900
663 HB3 SER 83 2HB SER 83 3.650 -3.922 10.137
664 HG SER 83 HG SER 83 4.763 -1.513 9.142
665 H ARG 84 H ARG 84 7.024 -3.403 8.413
666 HA ARG 84 HA ARG 84 8.235 -5.925 8.881
667 HB2 ARG 84 1HB ARG 84 9.299 -3.793 7.951
668 HB3 ARG 84 2HB ARG 84 9.396 -3.242 9.617
669 HG2 ARG 84 1HG ARG 84 10.803 -5.146 10.179
670 HG3 ARG 84 2HG ARG 84 10.687 -5.729 8.516
671 HD2 ARG 84 1HD ARG 84 12.765 -4.568 8.759
672 HD3 ARG 84 2HD ARG 84 11.696 -3.582 7.762
673 HE ARG 84 HE ARG 84 12.139 -3.072 10.637
674 HH11 ARG 84 1HH1 ARG 84 11.689 -1.929 7.357
675 HH12 ARG 84 2HH1 ARG 84 11.953 -0.260 7.761
676 HH21 ARG 84 1HH2 ARG 84 12.508 -0.881 11.169
677 HH22 ARG 84 2HH2 ARG 84 12.418 0.330 9.927
678 H THR 85 H THR 85 6.996 -3.387 10.925
679 HA THR 85 HA THR 85 7.655 -4.928 13.327
680 HB THR 85 HB THR 85 6.197 -2.285 13.256
681 HG1 THR 85 HG1 THR 85 8.086 -1.816 12.214
682 HG21 THR 85 3HG2 THR 85 7.144 -2.040 15.502
683 HG22 THR 85 1HG2 THR 85 7.953 -3.597 15.335
684 HG23 THR 85 2HG2 THR 85 6.192 -3.520 15.375
685 HA PRO 86 HA PRO 86 3.651 -6.884 12.971
686 HB2 PRO 86 1HB PRO 86 3.548 -7.705 15.621
687 HB3 PRO 86 2HB PRO 86 4.308 -8.604 14.304
688 HG2 PRO 86 1HG PRO 86 5.547 -6.816 16.347
689 HG3 PRO 86 2HG PRO 86 6.155 -8.337 15.669
690 HD2 PRO 86 1HD PRO 86 7.122 -5.964 14.876
691 HD3 PRO 86 2HD PRO 86 6.923 -7.309 13.735
692 H ASP 87 H ASP 87 1.529 -6.485 13.600
693 HA ASP 87 HA ASP 87 0.888 -3.874 14.380
694 HB2 ASP 87 1HB ASP 87 -0.769 -6.385 14.226
695 HB3 ASP 87 2HB ASP 87 -1.461 -4.847 14.725
696 H ASN 88 H ASN 88 1.568 -6.651 16.262
697 HA ASN 88 HA ASN 88 1.027 -5.082 18.684
698 HB2 ASN 88 1HB ASN 88 0.539 -8.029 18.228
699 HB3 ASN 88 2HB ASN 88 0.668 -7.330 19.840
700 HD21 ASN 88 2HD2 ASN 88 -1.592 -8.602 18.361
701 HD22 ASN 88 1HD2 ASN 88 -2.887 -7.442 18.442
702 H GLU 89 H GLU 89 2.534 -5.361 20.376
703 HA GLU 89 HA GLU 89 4.626 -5.530 21.247
704 HB2 GLU 89 1HB GLU 89 4.924 -7.547 19.070
705 HB3 GLU 89 2HB GLU 89 6.375 -6.892 19.809
706 HG2 GLU 89 1HG GLU 89 5.565 -7.625 22.007
707 HG3 GLU 89 2HG GLU 89 4.147 -8.330 21.228
708 H LEU 90 H LEU 90 3.966 -3.329 20.053
709 HA LEU 90 HA LEU 90 5.717 -2.530 17.956
710 HB2 LEU 90 1HB LEU 90 4.011 -0.989 19.899
711 HB3 LEU 90 2HB LEU 90 5.072 -0.179 18.765
712 HG LEU 90 HG LEU 90 2.862 -0.168 17.863
713 HD11 LEU 90 1HD1 LEU 90 4.515 -2.251 16.447
714 HD12 LEU 90 2HD1 LEU 90 4.652 -0.503 16.257
715 HD13 LEU 90 3HD1 LEU 90 3.183 -1.332 15.746
716 HD21 LEU 90 3HD2 LEU 90 1.923 -2.017 19.141
717 HD22 LEU 90 1HD2 LEU 90 2.855 -3.165 18.181
718 HD23 LEU 90 2HD2 LEU 90 1.592 -2.199 17.418
719 H GLU 91 H GLU 91 7.790 -3.083 18.544
720 HA GLU 91 HA GLU 91 9.075 -2.461 20.943
721 HB2 GLU 91 1HB GLU 91 10.339 -2.550 18.199
722 HB3 GLU 91 2HB GLU 91 11.153 -2.796 19.740
723 HG2 GLU 91 1HG GLU 91 9.806 -4.819 20.102
724 HG3 GLU 91 2HG GLU 91 9.052 -4.573 18.527
725 H HIS 92 H HIS 92 8.490 -0.574 18.068
726 HA HIS 92 HA HIS 92 9.567 1.783 19.461
727 HB2 HIS 92 1HB HIS 92 9.188 1.373 16.482
728 HB3 HIS 92 2HB HIS 92 9.794 2.842 17.241
729 HD1 HIS 92 HD1 HIS 92 12.234 2.819 18.100
730 HD2 HIS 92 HD2 HIS 92 11.019 -0.753 16.345
731 HE1 HIS 92 HE1 HIS 92 14.326 1.461 17.800
732 HE2 HIS 92 HE2 HIS 92 13.539 -0.769 16.936
733 H HIS 93 H HIS 93 7.882 2.629 20.506
734 HA HIS 93 HA HIS 93 5.188 2.231 19.687
735 HB2 HIS 93 1HB HIS 93 6.387 4.064 21.772
736 HB3 HIS 93 2HB HIS 93 4.655 3.841 21.541
737 HD1 HIS 93 HD1 HIS 93 3.655 2.124 23.031
738 HD2 HIS 93 HD2 HIS 93 7.691 1.399 22.315
739 HE1 HIS 93 HE1 HIS 93 4.229 0.074 24.368
740 HE2 HIS 93 HE2 HIS 93 6.607 -0.468 23.737
741 H HIS 94 H HIS 94 7.429 4.935 19.471
742 HA HIS 94 HA HIS 94 5.599 6.200 17.562
743 HB2 HIS 94 1HB HIS 94 7.909 7.195 19.162
744 HB3 HIS 94 2HB HIS 94 7.647 7.920 17.579
745 HD1 HIS 94 HD1 HIS 94 4.892 8.596 17.296
746 HD2 HIS 94 HD2 HIS 94 6.638 8.603 21.073
747 HE1 HIS 94 HE1 HIS 94 3.438 10.082 18.716
748 HE2 HIS 94 HE2 HIS 94 4.637 10.242 20.927
749 H HIS 95 H HIS 95 5.807 5.543 15.546
750 HA HIS 95 HA HIS 95 7.985 4.028 14.587
751 HB2 HIS 95 1HB HIS 95 5.619 4.089 13.642
752 HB3 HIS 95 2HB HIS 95 6.062 5.608 12.870
753 HD1 HIS 95 HD1 HIS 95 7.935 5.461 10.977
754 HD2 HIS 95 HD2 HIS 95 6.482 1.825 12.385
755 HE1 HIS 95 HE1 HIS 95 8.653 3.740 9.292
756 HE2 HIS 95 HE2 HIS 95 7.512 1.614 10.026
757 H HIS 96 H HIS 96 7.051 7.403 14.205
758 HA HIS 96 HA HIS 96 9.782 8.011 13.305
759 HB2 HIS 96 1HB HIS 96 8.036 8.696 11.718
760 HB3 HIS 96 2HB HIS 96 7.233 9.617 12.983
761 HD1 HIS 96 HD1 HIS 96 10.665 9.564 11.332
762 HD2 HIS 96 HD2 HIS 96 7.906 12.229 12.933
763 HE1 HIS 96 HE1 HIS 96 11.629 11.852 10.940
764 HE2 HIS 96 HE2 HIS 96 10.051 13.424 12.122
765 H HIS 97 H HIS 97 11.027 8.668 14.934
766 HA HIS 97 HA HIS 97 9.760 10.094 17.158
767 HB2 HIS 97 1HB HIS 97 11.751 9.564 18.481
768 HB3 HIS 97 2HB HIS 97 11.021 8.107 17.827
769 HD1 HIS 97 HD1 HIS 97 12.367 6.836 15.975
770 HD2 HIS 97 HD2 HIS 97 14.351 10.067 17.685
771 HE1 HIS 97 HE1 HIS 97 14.772 6.595 15.291
772 HE2 HIS 97 HE2 HIS 97 15.984 8.435 16.522
Start of MODEL 12
1 H1 MET 1 1H MET 1 2.211 -22.237 -9.710
2 H2 MET 1 2H MET 1 1.658 -21.976 -11.287
3 H3 MET 1 3H MET 1 1.103 -23.314 -10.413
4 HA MET 1 HA MET 1 -0.568 -21.588 -10.505
5 HB2 MET 1 1HB MET 1 0.705 -22.020 -7.795
6 HB3 MET 1 2HB MET 1 -0.879 -21.291 -8.026
7 HG2 MET 1 1HG MET 1 -1.682 -23.335 -9.065
8 HG3 MET 1 2HG MET 1 -0.091 -24.068 -8.873
9 HE1 MET 1 3HE MET 1 -1.162 -26.160 -7.653
10 HE2 MET 1 1HE MET 1 -2.757 -25.441 -7.881
11 HE3 MET 1 2HE MET 1 -2.274 -26.027 -6.291
12 H ALA 2 H ALA 2 -1.239 -19.469 -9.592
13 HA ALA 2 HA ALA 2 0.741 -17.502 -10.306
14 HB1 ALA 2 3HB ALA 2 -1.600 -17.230 -10.965
15 HB2 ALA 2 1HB ALA 2 -1.051 -15.880 -9.972
16 HB3 ALA 2 2HB ALA 2 -2.069 -17.136 -9.268
17 HA PRO 3 HA PRO 3 1.902 -17.128 -5.986
18 HB2 PRO 3 1HB PRO 3 4.382 -16.239 -6.395
19 HB3 PRO 3 2HB PRO 3 3.952 -17.920 -6.734
20 HG2 PRO 3 1HG PRO 3 4.380 -15.655 -8.617
21 HG3 PRO 3 2HG PRO 3 4.750 -17.374 -8.823
22 HD2 PRO 3 1HD PRO 3 2.490 -16.019 -9.815
23 HD3 PRO 3 2HD PRO 3 2.717 -17.777 -9.744
24 H LEU 4 H LEU 4 2.475 -15.353 -4.589
25 HA LEU 4 HA LEU 4 1.849 -12.738 -5.751
26 HB2 LEU 4 1HB LEU 4 1.141 -11.990 -3.656
27 HB3 LEU 4 2HB LEU 4 0.519 -13.621 -3.762
28 HG LEU 4 HG LEU 4 2.945 -12.763 -2.174
29 HD11 LEU 4 1HD1 LEU 4 1.552 -13.204 -0.232
30 HD12 LEU 4 2HD1 LEU 4 0.195 -13.613 -1.281
31 HD13 LEU 4 3HD1 LEU 4 0.822 -11.966 -1.254
32 HD21 LEU 4 3HD2 LEU 4 1.585 -15.445 -2.405
33 HD22 LEU 4 1HD2 LEU 4 2.814 -15.032 -1.209
34 HD23 LEU 4 2HD2 LEU 4 3.222 -15.039 -2.923
35 H GLN 5 H GLN 5 3.220 -10.973 -5.369
36 HA GLN 5 HA GLN 5 5.988 -11.821 -4.931
37 HB2 GLN 5 1HB GLN 5 4.895 -9.286 -6.169
38 HB3 GLN 5 2HB GLN 5 6.599 -9.710 -6.050
39 HG2 GLN 5 1HG GLN 5 6.175 -11.694 -7.445
40 HG3 GLN 5 2HG GLN 5 4.493 -11.194 -7.610
41 HE21 GLN 5 2HE2 GLN 5 6.508 -11.590 -9.662
42 HE22 GLN 5 1HE2 GLN 5 6.652 -10.079 -10.495
43 H GLN 6 H GLN 6 7.105 -11.223 -3.215
44 HA GLN 6 HA GLN 6 5.935 -9.179 -1.441
45 HB2 GLN 6 1HB GLN 6 7.536 -11.640 -0.721
46 HB3 GLN 6 2HB GLN 6 7.064 -10.391 0.422
47 HG2 GLN 6 1HG GLN 6 4.699 -10.881 -0.069
48 HG3 GLN 6 2HG GLN 6 5.219 -12.189 -1.131
49 HE21 GLN 6 2HE2 GLN 6 3.614 -12.210 1.332
50 HE22 GLN 6 1HE2 GLN 6 4.411 -13.322 2.395
51 H LYS 7 H LYS 7 7.063 -7.385 -1.664
52 HA LYS 7 HA LYS 7 9.992 -7.555 -1.500
53 HB2 LYS 7 1HB LYS 7 8.896 -7.068 -3.875
54 HB3 LYS 7 2HB LYS 7 8.764 -5.442 -3.222
55 HG2 LYS 7 1HG LYS 7 11.224 -5.537 -2.743
56 HG3 LYS 7 2HG LYS 7 11.269 -7.050 -3.649
57 HD2 LYS 7 1HD LYS 7 10.207 -5.769 -5.563
58 HD3 LYS 7 2HD LYS 7 10.559 -4.302 -4.648
59 HE2 LYS 7 1HE LYS 7 12.521 -6.318 -5.728
60 HE3 LYS 7 2HE LYS 7 12.334 -4.634 -6.211
61 HZ1 LYS 7 3HZ LYS 7 14.187 -4.658 -4.818
62 HZ2 LYS 7 1HZ LYS 7 13.463 -5.709 -3.696
63 HZ3 LYS 7 2HZ LYS 7 12.939 -4.101 -3.817
64 H GLN 8 H GLN 8 10.936 -5.408 -0.866
65 HA GLN 8 HA GLN 8 9.312 -4.240 1.241
66 HB2 GLN 8 1HB GLN 8 12.178 -3.636 0.476
67 HB3 GLN 8 2HB GLN 8 11.366 -3.148 1.957
68 HG2 GLN 8 1HG GLN 8 11.155 -5.490 2.614
69 HG3 GLN 8 2HG GLN 8 11.972 -5.976 1.130
70 HE21 GLN 8 2HE2 GLN 8 12.742 -6.454 3.889
71 HE22 GLN 8 1HE2 GLN 8 14.317 -5.754 4.074
72 H VAL 9 H VAL 9 8.073 -2.526 0.843
73 HA VAL 9 HA VAL 9 9.005 -0.581 -1.169
74 HB VAL 9 HB VAL 9 6.674 -0.120 -1.780
75 HG11 VAL 9 1HG1 VAL 9 7.927 -1.709 -3.124
76 HG12 VAL 9 2HG1 VAL 9 6.228 -2.177 -3.039
77 HG13 VAL 9 3HG1 VAL 9 7.428 -3.026 -2.063
78 HG21 VAL 9 3HG2 VAL 9 6.002 -2.450 0.009
79 HG22 VAL 9 1HG2 VAL 9 4.877 -1.618 -1.064
80 HG23 VAL 9 2HG2 VAL 9 5.594 -0.759 0.299
81 H VAL 10 H VAL 10 8.045 1.576 -0.894
82 HA VAL 10 HA VAL 10 7.751 2.234 1.961
83 HB VAL 10 HB VAL 10 8.344 4.133 -0.309
84 HG11 VAL 10 1HG1 VAL 10 9.114 5.625 1.483
85 HG12 VAL 10 2HG1 VAL 10 8.638 4.421 2.679
86 HG13 VAL 10 3HG1 VAL 10 7.415 5.190 1.669
87 HG21 VAL 10 3HG2 VAL 10 10.289 2.753 1.536
88 HG22 VAL 10 1HG2 VAL 10 10.693 4.086 0.454
89 HG23 VAL 10 2HG2 VAL 10 10.158 2.543 -0.210
90 H VAL 11 H VAL 11 5.699 2.655 2.607
91 HA VAL 11 HA VAL 11 3.650 3.472 0.769
92 HB VAL 11 HB VAL 11 3.615 3.737 3.785
93 HG11 VAL 11 1HG1 VAL 11 1.869 4.999 2.651
94 HG12 VAL 11 2HG1 VAL 11 1.181 3.623 3.515
95 HG13 VAL 11 3HG1 VAL 11 1.382 3.553 1.764
96 HG21 VAL 11 3HG2 VAL 11 4.128 1.439 3.194
97 HG22 VAL 11 1HG2 VAL 11 2.762 1.402 2.076
98 HG23 VAL 11 2HG2 VAL 11 2.479 1.560 3.810
99 H SER 12 H SER 12 4.044 5.372 -0.244
100 HA SER 12 HA SER 12 5.664 7.363 1.031
101 HB2 SER 12 1HB SER 12 5.288 8.550 -1.224
102 HB3 SER 12 2HB SER 12 6.163 7.018 -1.239
103 HG SER 12 HG SER 12 4.554 7.074 -2.862
104 H ASN 13 H ASN 13 2.373 7.426 -0.360
105 HA ASN 13 HA ASN 13 1.554 9.346 1.631
106 HB2 ASN 13 1HB ASN 13 0.937 11.112 0.046
107 HB3 ASN 13 2HB ASN 13 2.671 10.821 0.023
108 HD21 ASN 13 2HD2 ASN 13 -0.307 10.584 -1.750
109 HD22 ASN 13 1HD2 ASN 13 0.408 10.205 -3.280
110 H LYS 14 H LYS 14 -0.711 10.052 1.301
111 HA LYS 14 HA LYS 14 -2.345 7.867 0.309
112 HB2 LYS 14 1HB LYS 14 -2.857 8.999 2.471
113 HB3 LYS 14 2HB LYS 14 -3.166 10.487 1.588
114 HG2 LYS 14 1HG LYS 14 -5.010 9.392 0.402
115 HG3 LYS 14 2HG LYS 14 -4.707 7.914 1.313
116 HD2 LYS 14 1HD LYS 14 -6.527 9.053 2.356
117 HD3 LYS 14 2HD LYS 14 -5.119 9.217 3.407
118 HE2 LYS 14 1HE LYS 14 -6.315 11.324 3.251
119 HE3 LYS 14 2HE LYS 14 -4.723 11.464 2.506
120 HZ1 LYS 14 3HZ LYS 14 -7.185 10.907 0.945
121 HZ2 LYS 14 1HZ LYS 14 -5.666 11.386 0.362
122 HZ3 LYS 14 2HZ LYS 14 -6.618 12.478 1.236
123 H ARG 15 H ARG 15 -3.853 8.064 -1.346
124 HA ARG 15 HA ARG 15 -3.675 10.497 -2.999
125 HB2 ARG 15 1HB ARG 15 -2.367 8.602 -3.965
126 HB3 ARG 15 2HB ARG 15 -3.845 7.653 -4.020
127 HG2 ARG 15 1HG ARG 15 -4.810 9.141 -5.631
128 HG3 ARG 15 2HG ARG 15 -3.444 10.251 -5.484
129 HD2 ARG 15 1HD ARG 15 -1.950 8.648 -6.431
130 HD3 ARG 15 2HD ARG 15 -3.184 7.390 -6.383
131 HE ARG 15 HE ARG 15 -3.915 9.675 -7.972
132 HH11 ARG 15 1HH1 ARG 15 -2.189 6.622 -7.966
133 HH12 ARG 15 2HH1 ARG 15 -2.412 6.354 -9.667
134 HH21 ARG 15 1HH2 ARG 15 -4.203 9.332 -10.201
135 HH22 ARG 15 2HH2 ARG 15 -3.577 7.885 -10.942
136 H GLU 16 H GLU 16 -5.649 10.718 -4.457
137 HA GLU 16 HA GLU 16 -8.015 9.400 -3.389
138 HB2 GLU 16 1HB GLU 16 -7.533 11.388 -1.949
139 HB3 GLU 16 2HB GLU 16 -7.722 12.406 -3.367
140 HG2 GLU 16 1HG GLU 16 -10.035 11.813 -3.557
141 HG3 GLU 16 2HG GLU 16 -9.875 10.617 -2.268
142 H LYS 17 H LYS 17 -8.649 8.568 -5.322
143 HA LYS 17 HA LYS 17 -8.791 10.275 -7.676
144 HB2 LYS 17 1HB LYS 17 -9.541 7.380 -7.252
145 HB3 LYS 17 2HB LYS 17 -9.719 8.224 -8.780
146 HG2 LYS 17 1HG LYS 17 -7.282 8.599 -8.815
147 HG3 LYS 17 2HG LYS 17 -7.147 7.647 -7.332
148 HD2 LYS 17 1HD LYS 17 -8.260 5.763 -8.533
149 HD3 LYS 17 2HD LYS 17 -8.163 6.717 -10.013
150 HE2 LYS 17 1HE LYS 17 -6.331 5.138 -9.910
151 HE3 LYS 17 2HE LYS 17 -5.722 6.788 -9.789
152 HZ1 LYS 17 3HZ LYS 17 -5.430 6.534 -7.456
153 HZ2 LYS 17 1HZ LYS 17 -4.708 5.192 -8.200
154 HZ3 LYS 17 2HZ LYS 17 -6.220 5.042 -7.436
155 HA PRO 18 HA PRO 18 -13.151 11.131 -6.968
156 HB2 PRO 18 1HB PRO 18 -13.084 12.533 -9.504
157 HB3 PRO 18 2HB PRO 18 -13.261 13.201 -7.880
158 HG2 PRO 18 1HG PRO 18 -11.051 13.588 -9.431
159 HG3 PRO 18 2HG PRO 18 -11.019 13.597 -7.658
160 HD2 PRO 18 1HD PRO 18 -10.251 11.412 -9.560
161 HD3 PRO 18 2HD PRO 18 -9.453 11.932 -8.058
162 H VAL 19 H VAL 19 -14.325 9.334 -7.357
163 HA VAL 19 HA VAL 19 -14.084 7.823 -9.772
164 HB VAL 19 HB VAL 19 -16.160 7.556 -7.589
165 HG11 VAL 19 1HG1 VAL 19 -15.263 5.612 -9.716
166 HG12 VAL 19 2HG1 VAL 19 -16.817 6.443 -9.652
167 HG13 VAL 19 3HG1 VAL 19 -16.400 5.257 -8.415
168 HG21 VAL 19 3HG2 VAL 19 -14.715 5.792 -6.691
169 HG22 VAL 19 1HG2 VAL 19 -13.904 7.358 -6.691
170 HG23 VAL 19 2HG2 VAL 19 -13.507 6.158 -7.921
171 H ASN 20 H ASN 20 -14.997 8.323 -11.625
172 HA ASN 20 HA ASN 20 -17.684 9.530 -11.616
173 HB2 ASN 20 1HB ASN 20 -15.391 10.153 -13.497
174 HB3 ASN 20 2HB ASN 20 -17.044 10.697 -13.740
175 HD21 ASN 20 2HD2 ASN 20 -17.448 11.144 -10.859
176 HD22 ASN 20 1HD2 ASN 20 -16.593 12.606 -10.491
177 H ASP 21 H ASP 21 -19.127 8.709 -13.126
178 HA ASP 21 HA ASP 21 -18.293 6.189 -14.351
179 HB2 ASP 21 1HB ASP 21 -20.394 6.449 -12.866
180 HB3 ASP 21 2HB ASP 21 -21.120 7.241 -14.260
181 H ARG 22 H ARG 22 -20.214 6.058 -16.388
182 HA ARG 22 HA ARG 22 -19.095 8.037 -18.272
183 HB2 ARG 22 1HB ARG 22 -19.894 5.151 -18.678
184 HB3 ARG 22 2HB ARG 22 -19.454 6.238 -19.987
185 HG2 ARG 22 1HG ARG 22 -17.235 6.259 -19.409
186 HG3 ARG 22 2HG ARG 22 -17.562 5.870 -17.718
187 HD2 ARG 22 1HD ARG 22 -18.021 3.937 -19.982
188 HD3 ARG 22 2HD ARG 22 -16.510 4.026 -19.078
189 HE ARG 22 HE ARG 22 -17.757 3.385 -17.095
190 HH11 ARG 22 1HH1 ARG 22 -19.376 2.913 -20.167
191 HH12 ARG 22 2HH1 ARG 22 -20.439 1.684 -19.548
192 HH21 ARG 22 1HH2 ARG 22 -19.169 1.760 -16.293
193 HH22 ARG 22 2HH2 ARG 22 -20.314 1.032 -17.385
194 H ARG 23 H ARG 23 -21.687 7.757 -16.586
195 HA ARG 23 HA ARG 23 -23.690 7.716 -18.693
196 HB2 ARG 23 1HB ARG 23 -23.945 7.867 -15.688
197 HB3 ARG 23 2HB ARG 23 -25.306 7.811 -16.805
198 HG2 ARG 23 1HG ARG 23 -24.556 5.640 -17.620
199 HG3 ARG 23 2HG ARG 23 -23.188 5.694 -16.509
200 HD2 ARG 23 1HD ARG 23 -24.733 5.738 -14.616
201 HD3 ARG 23 2HD ARG 23 -26.101 5.681 -15.732
202 HE ARG 23 HE ARG 23 -24.113 3.526 -15.808
203 HH11 ARG 23 1HH1 ARG 23 -27.339 4.616 -15.009
204 HH12 ARG 23 2HH1 ARG 23 -28.002 3.010 -14.916
205 HH21 ARG 23 1HH2 ARG 23 -24.963 1.408 -15.675
206 HH22 ARG 23 2HH2 ARG 23 -26.645 1.183 -15.282
207 H SER 24 H SER 24 -25.276 9.371 -18.889
208 HA SER 24 HA SER 24 -24.116 11.976 -18.906
209 HB2 SER 24 1HB SER 24 -26.981 11.175 -19.471
210 HB3 SER 24 2HB SER 24 -26.185 12.666 -19.974
211 HG SER 24 HG SER 24 -26.357 10.793 -21.527
212 H ARG 25 H ARG 25 -25.273 13.891 -18.000
213 HA ARG 25 HA ARG 25 -25.517 13.659 -15.204
214 HB2 ARG 25 1HB ARG 25 -26.255 15.892 -17.092
215 HB3 ARG 25 2HB ARG 25 -26.351 16.037 -15.342
216 HG2 ARG 25 1HG ARG 25 -23.974 15.675 -15.143
217 HG3 ARG 25 2HG ARG 25 -23.843 15.397 -16.880
218 HD2 ARG 25 1HD ARG 25 -24.495 17.668 -17.342
219 HD3 ARG 25 2HD ARG 25 -24.815 17.963 -15.633
220 HE ARG 25 HE ARG 25 -22.397 17.669 -15.264
221 HH11 ARG 25 1HH1 ARG 25 -23.530 18.439 -18.484
222 HH12 ARG 25 2HH1 ARG 25 -22.016 19.127 -18.990
223 HH21 ARG 25 1HH2 ARG 25 -20.432 18.612 -15.899
224 HH22 ARG 25 2HH2 ARG 25 -20.267 19.276 -17.501
225 H GLN 26 H GLN 26 -27.810 13.258 -17.720
226 HA GLN 26 HA GLN 26 -30.181 13.776 -16.257
227 HB2 GLN 26 1HB GLN 26 -30.035 13.604 -18.749
228 HB3 GLN 26 2HB GLN 26 -29.802 11.869 -18.575
229 HG2 GLN 26 1HG GLN 26 -32.096 12.327 -19.129
230 HG3 GLN 26 2HG GLN 26 -31.999 11.703 -17.482
231 HE21 GLN 26 2HE2 GLN 26 -33.882 12.603 -16.777
232 HE22 GLN 26 1HE2 GLN 26 -34.115 14.310 -16.585
233 H GLN 27 H GLN 27 -27.963 11.137 -16.349
234 HA GLN 27 HA GLN 27 -29.826 9.381 -14.919
235 HB2 GLN 27 1HB GLN 27 -27.155 8.795 -16.216
236 HB3 GLN 27 2HB GLN 27 -28.147 7.610 -15.376
237 HG2 GLN 27 1HG GLN 27 -29.890 7.825 -17.005
238 HG3 GLN 27 2HG GLN 27 -29.043 9.156 -17.792
239 HE21 GLN 27 2HE2 GLN 27 -29.931 6.591 -18.869
240 HE22 GLN 27 1HE2 GLN 27 -28.506 5.833 -19.506
241 H GLU 28 H GLU 28 -29.761 9.651 -12.798
242 HA GLU 28 HA GLU 28 -27.351 10.594 -11.480
243 HB2 GLU 28 1HB GLU 28 -29.927 11.167 -11.045
244 HB3 GLU 28 2HB GLU 28 -29.801 9.783 -9.973
245 HG2 GLU 28 1HG GLU 28 -27.918 12.114 -9.821
246 HG3 GLU 28 2HG GLU 28 -29.451 12.074 -8.955
247 H VAL 29 H VAL 29 -26.164 9.396 -9.975
248 HA VAL 29 HA VAL 29 -26.220 6.551 -10.494
249 HB VAL 29 HB VAL 29 -24.067 7.691 -10.506
250 HG11 VAL 29 1HG1 VAL 29 -23.057 8.553 -8.449
251 HG12 VAL 29 2HG1 VAL 29 -24.568 8.259 -7.589
252 HG13 VAL 29 3HG1 VAL 29 -24.512 9.448 -8.891
253 HG21 VAL 29 3HG2 VAL 29 -22.824 6.182 -9.020
254 HG22 VAL 29 1HG2 VAL 29 -24.091 5.341 -9.913
255 HG23 VAL 29 2HG2 VAL 29 -24.331 5.750 -8.214
256 H SER 30 H SER 30 -26.862 8.734 -7.833
257 HA SER 30 HA SER 30 -27.792 8.473 -5.793
258 HB2 SER 30 1HB SER 30 -28.996 5.981 -7.013
259 HB3 SER 30 2HB SER 30 -29.575 6.820 -5.571
260 HG SER 30 HG SER 30 -29.460 8.693 -7.338
261 HA PRO 31 HA PRO 31 -24.532 5.568 -4.323
262 HB2 PRO 31 1HB PRO 31 -23.976 7.741 -2.443
263 HB3 PRO 31 2HB PRO 31 -22.892 6.962 -3.599
264 HG2 PRO 31 1HG PRO 31 -23.758 9.500 -3.914
265 HG3 PRO 31 2HG PRO 31 -23.424 8.430 -5.288
266 HD2 PRO 31 1HD PRO 31 -26.052 9.162 -4.052
267 HD3 PRO 31 2HD PRO 31 -25.621 9.000 -5.768
268 H ALA 32 H ALA 32 -25.021 4.111 -2.816
269 HA ALA 32 HA ALA 32 -26.539 4.946 -0.453
270 HB1 ALA 32 3HB ALA 32 -28.035 3.033 -0.652
271 HB2 ALA 32 1HB ALA 32 -27.261 2.572 -2.168
272 HB3 ALA 32 2HB ALA 32 -28.168 4.081 -2.065
273 H GLY 33 H GLY 33 -24.563 4.763 0.627
274 HA2 GLY 33 1HA GLY 33 -23.464 3.382 2.236
275 HA3 GLY 33 2HA GLY 33 -23.769 1.992 1.199
276 H THR 34 H THR 34 -22.082 5.112 1.162
277 HA THR 34 HA THR 34 -20.020 3.865 -0.532
278 HB THR 34 HB THR 34 -20.598 6.817 -0.205
279 HG1 THR 34 HG1 THR 34 -22.069 5.101 -1.440
280 HG21 THR 34 3HG2 THR 34 -18.293 6.319 -0.878
281 HG22 THR 34 1HG2 THR 34 -19.193 7.052 -2.206
282 HG23 THR 34 2HG2 THR 34 -18.890 5.315 -2.198
283 H SER 35 H SER 35 -18.545 3.087 0.847
284 HA SER 35 HA SER 35 -17.704 4.437 3.215
285 HB2 SER 35 1HB SER 35 -16.185 2.285 1.730
286 HB3 SER 35 2HB SER 35 -16.145 2.646 3.458
287 HG SER 35 HG SER 35 -18.309 1.926 3.600
288 H MET 36 H MET 36 -16.031 5.844 3.482
289 HA MET 36 HA MET 36 -15.081 7.285 1.258
290 HB2 MET 36 1HB MET 36 -14.167 7.224 4.132
291 HB3 MET 36 2HB MET 36 -13.494 8.321 2.935
292 HG2 MET 36 1HG MET 36 -16.400 8.192 3.702
293 HG3 MET 36 2HG MET 36 -15.235 9.349 4.346
294 HE1 MET 36 3HE MET 36 -14.281 11.398 1.144
295 HE2 MET 36 1HE MET 36 -13.457 9.977 1.787
296 HE3 MET 36 2HE MET 36 -14.050 11.225 2.885
297 H ARG 37 H ARG 37 -13.517 6.861 -0.107
298 HA ARG 37 HA ARG 37 -11.797 4.573 0.436
299 HB2 ARG 37 1HB ARG 37 -12.191 6.087 -2.153
300 HB3 ARG 37 2HB ARG 37 -11.355 4.552 -1.954
301 HG2 ARG 37 1HG ARG 37 -14.286 5.029 -1.457
302 HG3 ARG 37 2HG ARG 37 -13.590 4.255 -2.882
303 HD2 ARG 37 1HD ARG 37 -12.885 2.382 -1.654
304 HD3 ARG 37 2HD ARG 37 -13.081 3.217 -0.112
305 HE ARG 37 HE ARG 37 -15.576 3.218 -0.916
306 HH11 ARG 37 1HH1 ARG 37 -13.238 0.619 -1.198
307 HH12 ARG 37 2HH1 ARG 37 -14.434 -0.636 -1.028
308 HH21 ARG 37 1HH2 ARG 37 -17.144 1.563 -0.704
309 HH22 ARG 37 2HH2 ARG 37 -16.638 -0.101 -0.740
310 H TYR 38 H TYR 38 -9.860 4.898 1.200
311 HA TYR 38 HA TYR 38 -8.409 7.350 0.448
312 HB2 TYR 38 1HB TYR 38 -7.750 5.500 2.750
313 HB3 TYR 38 2HB TYR 38 -7.111 7.112 2.453
314 HD1 TYR 38 HD1 TYR 38 -8.953 9.025 2.406
315 HD2 TYR 38 HD2 TYR 38 -9.421 5.250 4.311
316 HE1 TYR 38 HE1 TYR 38 -10.702 9.976 3.850
317 HE2 TYR 38 HE2 TYR 38 -11.170 6.189 5.757
318 HH TYR 38 HH TYR 38 -11.783 8.514 6.633
319 H GLU 39 H GLU 39 -6.594 7.072 -0.781
320 HA GLU 39 HA GLU 39 -5.905 4.291 -1.411
321 HB2 GLU 39 1HB GLU 39 -5.279 6.822 -2.936
322 HB3 GLU 39 2HB GLU 39 -4.832 5.199 -3.432
323 HG2 GLU 39 1HG GLU 39 -7.293 4.665 -3.479
324 HG3 GLU 39 2HG GLU 39 -7.578 6.396 -3.282
325 H ALA 40 H ALA 40 -3.782 3.601 -1.395
326 HA ALA 40 HA ALA 40 -1.880 5.425 -0.076
327 HB1 ALA 40 3HB ALA 40 -2.540 3.589 1.400
328 HB2 ALA 40 1HB ALA 40 -0.840 3.460 0.946
329 HB3 ALA 40 2HB ALA 40 -2.040 2.421 0.177
330 H SER 41 H SER 41 -0.014 5.791 -1.103
331 HA SER 41 HA SER 41 0.415 4.406 -3.638
332 HB2 SER 41 1HB SER 41 0.459 6.942 -3.444
333 HB3 SER 41 2HB SER 41 1.959 6.766 -2.535
334 HG SER 41 HG SER 41 2.941 6.609 -4.378
335 H PHE 42 H PHE 42 1.779 2.771 -3.749
336 HA PHE 42 HA PHE 42 3.782 2.452 -1.626
337 HB2 PHE 42 1HB PHE 42 2.668 0.444 -3.603
338 HB3 PHE 42 2HB PHE 42 3.918 0.092 -2.413
339 HD1 PHE 42 HD2 PHE 42 0.361 0.787 -2.928
340 HD2 PHE 42 HD1 PHE 42 3.386 -0.115 -0.071
341 HE1 PHE 42 HE2 PHE 42 -1.372 0.247 -1.268
342 HE2 PHE 42 HE1 PHE 42 1.656 -0.655 1.592
343 HZ PHE 42 HZ PHE 42 -0.725 -0.475 0.995
344 H LYS 43 H LYS 43 5.675 3.190 -2.089
345 HA LYS 43 HA LYS 43 6.511 3.472 -4.873
346 HB2 LYS 43 1HB LYS 43 6.600 5.376 -3.183
347 HB3 LYS 43 2HB LYS 43 7.905 4.498 -2.398
348 HG2 LYS 43 1HG LYS 43 9.198 4.608 -4.494
349 HG3 LYS 43 2HG LYS 43 7.903 5.573 -5.209
350 HD2 LYS 43 1HD LYS 43 8.222 7.174 -3.269
351 HD3 LYS 43 2HD LYS 43 9.705 6.286 -2.908
352 HE2 LYS 43 1HE LYS 43 10.328 8.148 -4.236
353 HE3 LYS 43 2HE LYS 43 10.418 6.727 -5.277
354 HZ1 LYS 43 3HZ LYS 43 8.079 7.358 -5.992
355 HZ2 LYS 43 1HZ LYS 43 9.334 8.352 -6.540
356 HZ3 LYS 43 2HZ LYS 43 8.354 8.852 -5.249
357 HA PRO 44 HA PRO 44 9.027 -0.192 -4.193
358 HB2 PRO 44 1HB PRO 44 9.963 -0.333 -6.744
359 HB3 PRO 44 2HB PRO 44 8.367 -0.926 -6.268
360 HG2 PRO 44 1HG PRO 44 9.118 1.639 -7.607
361 HG3 PRO 44 2HG PRO 44 7.732 0.576 -7.914
362 HD2 PRO 44 1HD PRO 44 7.559 2.876 -6.467
363 HD3 PRO 44 2HD PRO 44 6.506 1.474 -6.195
364 H LEU 45 H LEU 45 11.133 -0.387 -3.632
365 HA LEU 45 HA LEU 45 12.867 1.874 -3.740
366 HB2 LEU 45 1HB LEU 45 13.428 -1.002 -3.005
367 HB3 LEU 45 2HB LEU 45 14.550 0.327 -2.773
368 HG LEU 45 HG LEU 45 11.833 0.150 -1.467
369 HD11 LEU 45 1HD1 LEU 45 13.290 -1.615 -0.647
370 HD12 LEU 45 2HD1 LEU 45 13.048 -0.374 0.582
371 HD13 LEU 45 3HD1 LEU 45 14.560 -0.434 -0.325
372 HD21 LEU 45 3HD2 LEU 45 14.167 2.004 -0.999
373 HD22 LEU 45 1HD2 LEU 45 12.672 1.968 -0.062
374 HD23 LEU 45 2HD2 LEU 45 12.637 2.432 -1.764
375 H ASN 46 H ASN 46 12.135 -0.672 -5.847
376 HA ASN 46 HA ASN 46 14.452 -0.126 -7.532
377 HB2 ASN 46 1HB ASN 46 13.651 -2.469 -7.374
378 HB3 ASN 46 2HB ASN 46 12.088 -1.967 -8.012
379 HD21 ASN 46 2HD2 ASN 46 11.898 -1.448 -10.186
380 HD22 ASN 46 1HD2 ASN 46 13.124 -1.838 -11.345
381 H GLY 47 H GLY 47 14.330 1.729 -8.546
382 HA2 GLY 47 1HA GLY 47 12.353 3.510 -8.825
383 HA3 GLY 47 2HA GLY 47 13.599 3.331 -10.044
384 H GLY 48 H GLY 48 10.442 3.654 -9.679
385 HA2 GLY 48 1HA GLY 48 9.727 2.927 -12.286
386 HA3 GLY 48 2HA GLY 48 9.232 1.633 -11.200
387 H LEU 49 H LEU 49 7.017 2.158 -11.777
388 HA LEU 49 HA LEU 49 6.044 4.743 -10.877
389 HB2 LEU 49 1HB LEU 49 4.684 2.410 -12.203
390 HB3 LEU 49 2HB LEU 49 3.807 3.811 -11.618
391 HG LEU 49 HG LEU 49 5.891 3.768 -13.798
392 HD11 LEU 49 1HD1 LEU 49 2.938 4.379 -13.826
393 HD12 LEU 49 2HD1 LEU 49 3.708 2.927 -14.467
394 HD13 LEU 49 3HD1 LEU 49 4.030 4.495 -15.207
395 HD21 LEU 49 3HD2 LEU 49 5.428 6.158 -14.047
396 HD22 LEU 49 1HD2 LEU 49 6.122 5.795 -12.467
397 HD23 LEU 49 2HD2 LEU 49 4.393 6.106 -12.620
398 H GLU 50 H GLU 50 5.024 5.144 -9.060
399 HA GLU 50 HA GLU 50 4.857 3.238 -6.966
400 HB2 GLU 50 1HB GLU 50 3.623 5.982 -7.271
401 HB3 GLU 50 2HB GLU 50 3.597 5.041 -5.785
402 HG2 GLU 50 1HG GLU 50 5.987 5.126 -5.625
403 HG3 GLU 50 2HG GLU 50 6.100 5.917 -7.196
404 H LYS 51 H LYS 51 3.222 1.929 -6.389
405 HA LYS 51 HA LYS 51 0.946 1.869 -8.225
406 HB2 LYS 51 1HB LYS 51 2.025 -0.230 -6.337
407 HB3 LYS 51 2HB LYS 51 0.611 -0.444 -7.367
408 HG2 LYS 51 1HG LYS 51 1.979 -0.128 -9.350
409 HG3 LYS 51 2HG LYS 51 3.398 0.154 -8.344
410 HD2 LYS 51 1HD LYS 51 3.252 -2.121 -7.481
411 HD3 LYS 51 2HD LYS 51 1.802 -2.404 -8.449
412 HE2 LYS 51 1HE LYS 51 3.771 -3.345 -9.539
413 HE3 LYS 51 2HE LYS 51 3.088 -2.031 -10.494
414 HZ1 LYS 51 3HZ LYS 51 5.503 -1.921 -8.769
415 HZ2 LYS 51 1HZ LYS 51 4.798 -0.559 -9.494
416 HZ3 LYS 51 2HZ LYS 51 5.446 -1.791 -10.457
417 H THR 52 H THR 52 -0.786 2.870 -7.600
418 HA THR 52 HA THR 52 -1.305 3.366 -4.785
419 HB THR 52 HB THR 52 -2.898 4.305 -7.177
420 HG1 THR 52 HG1 THR 52 -0.427 5.079 -6.261
421 HG21 THR 52 3HG2 THR 52 -2.678 5.371 -4.362
422 HG22 THR 52 1HG2 THR 52 -4.049 4.482 -5.028
423 HG23 THR 52 2HG2 THR 52 -3.641 6.077 -5.662
424 H PHE 53 H PHE 53 -2.576 2.046 -3.639
425 HA PHE 53 HA PHE 53 -4.695 0.568 -5.058
426 HB2 PHE 53 1HB PHE 53 -3.228 -0.156 -2.512
427 HB3 PHE 53 2HB PHE 53 -4.609 -1.042 -3.147
428 HD1 PHE 53 HD2 PHE 53 -4.363 -1.904 -5.597
429 HD2 PHE 53 HD1 PHE 53 -1.098 -0.813 -3.099
430 HE1 PHE 53 HE2 PHE 53 -2.852 -3.268 -6.981
431 HE2 PHE 53 HE1 PHE 53 0.419 -2.170 -4.477
432 HZ PHE 53 HZ PHE 53 -0.457 -3.402 -6.421
433 H ARG 54 H ARG 54 -6.763 0.520 -4.169
434 HA ARG 54 HA ARG 54 -7.380 2.829 -2.528
435 HB2 ARG 54 1HB ARG 54 -9.091 0.893 -4.075
436 HB3 ARG 54 2HB ARG 54 -9.778 2.104 -3.002
437 HG2 ARG 54 1HG ARG 54 -8.582 3.844 -4.330
438 HG3 ARG 54 2HG ARG 54 -8.125 2.575 -5.467
439 HD2 ARG 54 1HD ARG 54 -10.979 3.116 -4.701
440 HD3 ARG 54 2HD ARG 54 -10.185 3.946 -6.037
441 HE ARG 54 HE ARG 54 -9.921 1.782 -7.113
442 HH11 ARG 54 1HH1 ARG 54 -12.117 1.877 -4.390
443 HH12 ARG 54 2HH1 ARG 54 -13.082 0.545 -4.950
444 HH21 ARG 54 1HH2 ARG 54 -11.183 0.064 -7.876
445 HH22 ARG 54 2HH2 ARG 54 -12.579 -0.458 -6.970
446 H LEU 55 H LEU 55 -7.787 2.784 -0.463
447 HA LEU 55 HA LEU 55 -8.324 0.197 0.850
448 HB2 LEU 55 1HB LEU 55 -6.771 2.592 1.846
449 HB3 LEU 55 2HB LEU 55 -7.167 1.188 2.825
450 HG LEU 55 HG LEU 55 -5.440 1.119 0.346
451 HD11 LEU 55 1HD1 LEU 55 -3.576 0.819 1.895
452 HD12 LEU 55 2HD1 LEU 55 -4.671 1.046 3.259
453 HD13 LEU 55 3HD1 LEU 55 -4.372 2.374 2.138
454 HD21 LEU 55 3HD2 LEU 55 -4.851 -1.131 1.133
455 HD22 LEU 55 1HD2 LEU 55 -6.572 -0.992 0.769
456 HD23 LEU 55 2HD2 LEU 55 -6.021 -0.970 2.445
457 H GLN 56 H GLN 56 -9.582 0.347 2.841
458 HA GLN 56 HA GLN 56 -11.447 2.613 2.836
459 HB2 GLN 56 1HB GLN 56 -11.650 -0.048 4.265
460 HB3 GLN 56 2HB GLN 56 -12.879 1.209 4.259
461 HG2 GLN 56 1HG GLN 56 -13.034 0.956 1.791
462 HG3 GLN 56 2HG GLN 56 -11.931 -0.413 1.911
463 HE21 GLN 56 2HE2 GLN 56 -13.102 -1.257 4.481
464 HE22 GLN 56 1HE2 GLN 56 -14.619 -1.994 4.087
465 H ALA 57 H ALA 57 -12.288 2.937 5.295
466 HA ALA 57 HA ALA 57 -10.349 4.449 6.543
467 HB1 ALA 57 3HB ALA 57 -12.750 4.672 6.960
468 HB2 ALA 57 1HB ALA 57 -11.830 4.560 8.461
469 HB3 ALA 57 2HB ALA 57 -12.728 3.162 7.870
470 H GLN 58 H GLN 58 -11.503 1.270 7.711
471 HA GLN 58 HA GLN 58 -9.653 1.088 9.816
472 HB2 GLN 58 1HB GLN 58 -11.061 -1.146 8.351
473 HB3 GLN 58 2HB GLN 58 -10.239 -1.305 9.895
474 HG2 GLN 58 1HG GLN 58 -11.824 0.335 10.854
475 HG3 GLN 58 2HG GLN 58 -12.687 0.341 9.317
476 HE21 GLN 58 2HE2 GLN 58 -12.140 -2.543 8.927
477 HE22 GLN 58 1HE2 GLN 58 -13.262 -3.362 9.964
478 H GLN 59 H GLN 59 -9.378 0.306 6.445
479 HA GLN 59 HA GLN 59 -7.099 -1.414 6.746
480 HB2 GLN 59 1HB GLN 59 -8.316 -0.112 4.307
481 HB3 GLN 59 2HB GLN 59 -7.000 -1.278 4.261
482 HG2 GLN 59 1HG GLN 59 -8.427 -2.971 5.239
483 HG3 GLN 59 2HG GLN 59 -9.743 -1.807 5.377
484 HE21 GLN 59 2HE2 GLN 59 -9.581 -4.352 3.940
485 HE22 GLN 59 1HE2 GLN 59 -9.954 -3.983 2.289
486 H TYR 60 H TYR 60 -7.639 1.924 5.660
487 HA TYR 60 HA TYR 60 -4.914 2.486 5.142
488 HB2 TYR 60 1HB TYR 60 -6.768 3.853 4.243
489 HB3 TYR 60 2HB TYR 60 -7.143 4.402 5.873
490 HD1 TYR 60 HD2 TYR 60 -4.456 4.411 3.304
491 HD2 TYR 60 HD1 TYR 60 -6.074 6.286 6.763
492 HE1 TYR 60 HE2 TYR 60 -2.857 6.260 3.042
493 HE2 TYR 60 HE1 TYR 60 -4.478 8.140 6.513
494 HH TYR 60 HH TYR 60 -2.255 8.525 5.461
495 H HIS 61 H HIS 61 -6.882 2.518 8.005
496 HA HIS 61 HA HIS 61 -5.127 3.943 9.704
497 HB2 HIS 61 1HB HIS 61 -7.489 3.541 10.261
498 HB3 HIS 61 2HB HIS 61 -7.174 1.814 10.381
499 HD1 HIS 61 HD1 HIS 61 -6.705 0.983 12.666
500 HD2 HIS 61 HD2 HIS 61 -5.919 5.053 12.294
501 HE1 HIS 61 HE1 HIS 61 -6.090 1.774 14.978
502 HE2 HIS 61 HE2 HIS 61 -5.587 4.238 14.728
503 H ALA 62 H ALA 62 -4.990 0.805 8.355
504 HA ALA 62 HA ALA 62 -3.045 -0.114 10.352
505 HB1 ALA 62 3HB ALA 62 -4.882 -1.646 9.828
506 HB2 ALA 62 1HB ALA 62 -3.324 -2.325 9.353
507 HB3 ALA 62 2HB ALA 62 -4.401 -1.646 8.132
508 H LEU 63 H LEU 63 -2.969 1.691 7.695
509 HA LEU 63 HA LEU 63 -0.511 0.476 6.632
510 HB2 LEU 63 1HB LEU 63 -2.744 1.908 5.389
511 HB3 LEU 63 2HB LEU 63 -1.172 2.495 4.887
512 HG LEU 63 HG LEU 63 -2.057 0.796 3.351
513 HD11 LEU 63 1HD1 LEU 63 0.362 -0.102 4.909
514 HD12 LEU 63 2HD1 LEU 63 0.349 1.059 3.582
515 HD13 LEU 63 3HD1 LEU 63 -0.071 -0.628 3.282
516 HD21 LEU 63 3HD2 LEU 63 -3.351 -0.518 4.952
517 HD22 LEU 63 1HD2 LEU 63 -1.858 -1.067 5.715
518 HD23 LEU 63 2HD2 LEU 63 -2.224 -1.535 4.054
519 H THR 64 H THR 64 1.152 1.288 7.729
520 HA THR 64 HA THR 64 1.123 3.985 8.739
521 HB THR 64 HB THR 64 3.413 2.008 8.747
522 HG1 THR 64 HG1 THR 64 1.058 1.853 9.983
523 HG21 THR 64 3HG2 THR 64 4.174 3.297 10.695
524 HG22 THR 64 1HG2 THR 64 2.812 4.401 10.496
525 HG23 THR 64 2HG2 THR 64 4.066 4.313 9.258
526 H VAL 65 H VAL 65 1.354 5.555 7.249
527 HA VAL 65 HA VAL 65 2.896 5.385 4.898
528 HB VAL 65 HB VAL 65 1.854 7.764 6.437
529 HG11 VAL 65 1HG1 VAL 65 3.255 7.772 3.763
530 HG12 VAL 65 2HG1 VAL 65 3.877 8.467 5.260
531 HG13 VAL 65 3HG1 VAL 65 2.437 9.148 4.502
532 HG21 VAL 65 3HG2 VAL 65 1.063 6.536 3.800
533 HG22 VAL 65 1HG2 VAL 65 0.296 7.924 4.570
534 HG23 VAL 65 2HG2 VAL 65 0.204 6.334 5.329
535 H GLY 66 H GLY 66 4.987 5.581 4.535
536 HA2 GLY 66 1HA GLY 66 7.164 6.451 4.901
537 HA3 GLY 66 2HA GLY 66 6.719 6.798 6.568
538 H ASP 67 H ASP 67 5.442 3.966 6.484
539 HA ASP 67 HA ASP 67 7.748 2.705 7.653
540 HB2 ASP 67 1HB ASP 67 5.389 2.442 8.530
541 HB3 ASP 67 2HB ASP 67 5.061 1.427 7.129
542 H GLN 68 H GLN 68 9.198 2.391 6.047
543 HA GLN 68 HA GLN 68 8.710 1.003 3.632
544 HB2 GLN 68 1HB GLN 68 11.297 0.960 5.188
545 HB3 GLN 68 2HB GLN 68 11.083 0.825 3.448
546 HG2 GLN 68 1HG GLN 68 10.412 3.136 3.308
547 HG3 GLN 68 2HG GLN 68 10.474 3.290 5.063
548 HE21 GLN 68 2HE2 GLN 68 11.919 4.780 3.021
549 HE22 GLN 68 1HE2 GLN 68 13.602 4.565 3.373
550 H GLY 69 H GLY 69 8.038 -1.079 3.462
551 HA2 GLY 69 1HA GLY 69 9.102 -3.121 5.207
552 HA3 GLY 69 2HA GLY 69 7.438 -2.688 5.562
553 H THR 70 H THR 70 7.150 -5.012 5.061
554 HA THR 70 HA THR 70 7.719 -5.862 2.357
555 HB THR 70 HB THR 70 6.343 -7.394 4.573
556 HG1 THR 70 HG1 THR 70 8.570 -8.362 4.657
557 HG21 THR 70 3HG2 THR 70 5.979 -8.348 2.352
558 HG22 THR 70 1HG2 THR 70 7.053 -9.373 3.302
559 HG23 THR 70 2HG2 THR 70 7.716 -8.325 2.047
560 H LEU 71 H LEU 71 6.335 -5.899 0.715
561 HA LEU 71 HA LEU 71 3.459 -5.622 1.303
562 HB2 LEU 71 1HB LEU 71 4.329 -3.654 0.163
563 HB3 LEU 71 2HB LEU 71 5.032 -4.658 -1.090
564 HG LEU 71 HG LEU 71 2.748 -5.353 -1.771
565 HD11 LEU 71 1HD1 LEU 71 1.869 -3.272 0.222
566 HD12 LEU 71 2HD1 LEU 71 1.606 -5.012 0.347
567 HD13 LEU 71 3HD1 LEU 71 0.829 -4.091 -0.942
568 HD21 LEU 71 3HD2 LEU 71 3.241 -2.378 -1.750
569 HD22 LEU 71 1HD2 LEU 71 2.150 -3.237 -2.838
570 HD23 LEU 71 2HD2 LEU 71 3.888 -3.530 -2.918
571 H SER 72 H SER 72 2.231 -7.265 0.726
572 HA SER 72 HA SER 72 3.293 -9.218 -1.201
573 HB2 SER 72 1HB SER 72 1.108 -9.598 0.866
574 HB3 SER 72 2HB SER 72 1.839 -10.851 -0.138
575 HG SER 72 HG SER 72 3.566 -9.323 1.407
576 H TYR 73 H TYR 73 2.361 -9.249 -3.144
577 HA TYR 73 HA TYR 73 -0.467 -8.654 -3.397
578 HB2 TYR 73 1HB TYR 73 -0.105 -6.997 -5.210
579 HB3 TYR 73 2HB TYR 73 0.458 -6.436 -3.643
580 HD1 TYR 73 HD1 TYR 73 2.947 -6.467 -3.170
581 HD2 TYR 73 HD2 TYR 73 1.349 -7.094 -7.064
582 HE1 TYR 73 HE1 TYR 73 5.131 -5.910 -4.148
583 HE2 TYR 73 HE2 TYR 73 3.534 -6.544 -8.053
584 HH TYR 73 HH TYR 73 6.372 -6.406 -6.293
585 H LYS 74 H LYS 74 -1.423 -9.579 -5.146
586 HA LYS 74 HA LYS 74 0.317 -11.314 -6.771
587 HB2 LYS 74 1HB LYS 74 -1.182 -12.483 -5.108
588 HB3 LYS 74 2HB LYS 74 -2.559 -11.856 -6.004
589 HG2 LYS 74 1HG LYS 74 -1.961 -13.120 -7.942
590 HG3 LYS 74 2HG LYS 74 -0.430 -13.606 -7.210
591 HD2 LYS 74 1HD LYS 74 -3.175 -14.348 -6.196
592 HD3 LYS 74 2HD LYS 74 -2.095 -15.408 -7.104
593 HE2 LYS 74 1HE LYS 74 -0.433 -15.242 -5.318
594 HE3 LYS 74 2HE LYS 74 -1.503 -14.175 -4.413
595 HZ1 LYS 74 3HZ LYS 74 -1.913 -17.048 -5.033
596 HZ2 LYS 74 1HZ LYS 74 -3.140 -16.047 -4.421
597 HZ3 LYS 74 2HZ LYS 74 -1.741 -16.321 -3.513
598 H GLY 75 H GLY 75 0.499 -10.354 -8.691
599 HA2 GLY 75 1HA GLY 75 -0.129 -9.449 -10.719
600 HA3 GLY 75 2HA GLY 75 -1.804 -9.782 -10.294
601 H THR 76 H THR 76 -3.042 -8.059 -10.018
602 HA THR 76 HA THR 76 -1.767 -5.553 -9.158
603 HB THR 76 HB THR 76 -3.815 -4.454 -10.190
604 HG1 THR 76 HG1 THR 76 -5.253 -5.689 -11.130
605 HG21 THR 76 3HG2 THR 76 -1.626 -4.397 -11.271
606 HG22 THR 76 1HG2 THR 76 -2.907 -4.564 -12.470
607 HG23 THR 76 2HG2 THR 76 -1.940 -5.966 -12.013
608 H ARG 77 H ARG 77 -3.141 -7.958 -7.729
609 HA ARG 77 HA ARG 77 -5.204 -6.442 -6.303
610 HB2 ARG 77 1HB ARG 77 -5.988 -8.553 -7.182
611 HB3 ARG 77 2HB ARG 77 -4.664 -9.411 -6.405
612 HG2 ARG 77 1HG ARG 77 -5.562 -9.000 -4.241
613 HG3 ARG 77 2HG ARG 77 -6.765 -7.884 -4.888
614 HD2 ARG 77 1HD ARG 77 -6.620 -10.808 -5.600
615 HD3 ARG 77 2HD ARG 77 -7.645 -10.153 -4.323
616 HE ARG 77 HE ARG 77 -8.626 -8.735 -6.206
617 HH11 ARG 77 1HH1 ARG 77 -7.296 -11.941 -6.711
618 HH12 ARG 77 2HH1 ARG 77 -8.374 -12.315 -8.029
619 HH21 ARG 77 1HH2 ARG 77 -10.037 -9.218 -7.916
620 HH22 ARG 77 2HH2 ARG 77 -9.945 -10.761 -8.715
621 H PHE 78 H PHE 78 -4.861 -5.702 -4.372
622 HA PHE 78 HA PHE 78 -2.412 -6.047 -2.981
623 HB2 PHE 78 1HB PHE 78 -3.707 -3.970 -2.869
624 HB3 PHE 78 2HB PHE 78 -5.046 -4.825 -2.117
625 HD1 PHE 78 HD2 PHE 78 -1.581 -3.663 -1.618
626 HD2 PHE 78 HD1 PHE 78 -5.093 -5.221 0.211
627 HE1 PHE 78 HE2 PHE 78 -0.657 -3.141 0.602
628 HE2 PHE 78 HE1 PHE 78 -4.175 -4.700 2.432
629 HZ PHE 78 HZ PHE 78 -1.953 -3.660 2.630
630 H VAL 79 H VAL 79 -1.865 -7.770 -1.822
631 HA VAL 79 HA VAL 79 -3.937 -9.515 -0.741
632 HB VAL 79 HB VAL 79 -0.931 -9.866 -0.791
633 HG11 VAL 79 1HG1 VAL 79 -1.945 -11.060 1.081
634 HG12 VAL 79 2HG1 VAL 79 -1.374 -12.184 -0.152
635 HG13 VAL 79 3HG1 VAL 79 -3.095 -11.821 -0.017
636 HG21 VAL 79 3HG2 VAL 79 -3.098 -11.110 -2.480
637 HG22 VAL 79 1HG2 VAL 79 -1.388 -11.543 -2.526
638 HG23 VAL 79 2HG2 VAL 79 -1.904 -9.929 -3.016
639 H GLY 80 H GLY 80 -1.042 -7.791 0.413
640 HA2 GLY 80 1HA GLY 80 -2.258 -6.753 2.700
641 HA3 GLY 80 2HA GLY 80 -1.506 -8.275 3.156
642 H PHE 81 H PHE 81 -0.863 -5.535 3.980
643 HA PHE 81 HA PHE 81 1.925 -5.458 3.043
644 HB2 PHE 81 1HB PHE 81 0.665 -3.435 2.394
645 HB3 PHE 81 2HB PHE 81 0.250 -3.156 4.082
646 HD1 PHE 81 HD1 PHE 81 3.045 -3.270 1.674
647 HD2 PHE 81 HD2 PHE 81 1.756 -2.085 5.551
648 HE1 PHE 81 HE1 PHE 81 5.116 -1.979 1.963
649 HE2 PHE 81 HE2 PHE 81 3.823 -0.790 5.846
650 HZ PHE 81 HZ PHE 81 5.509 -0.736 4.051
651 H VAL 82 H VAL 82 3.407 -5.901 4.518
652 HA VAL 82 HA VAL 82 2.557 -6.071 7.323
653 HB VAL 82 HB VAL 82 5.024 -7.262 6.038
654 HG11 VAL 82 1HG1 VAL 82 3.779 -7.732 8.745
655 HG12 VAL 82 2HG1 VAL 82 5.279 -6.862 8.426
656 HG13 VAL 82 3HG1 VAL 82 5.174 -8.591 8.090
657 HG21 VAL 82 3HG2 VAL 82 3.848 -9.412 6.186
658 HG22 VAL 82 1HG2 VAL 82 3.019 -8.282 5.115
659 HG23 VAL 82 2HG2 VAL 82 2.400 -8.574 6.741
660 H SER 83 H SER 83 2.815 -4.031 8.063
661 HA SER 83 HA SER 83 5.092 -2.418 7.545
662 HB2 SER 83 1HB SER 83 3.024 -2.235 9.754
663 HB3 SER 83 2HB SER 83 4.185 -0.975 9.336
664 HG SER 83 HG SER 83 3.217 -1.028 7.195
665 H ARG 84 H ARG 84 6.777 -1.866 8.952
666 HA ARG 84 HA ARG 84 8.004 -4.013 10.286
667 HB2 ARG 84 1HB ARG 84 8.529 -1.067 10.694
668 HB3 ARG 84 2HB ARG 84 9.625 -2.386 11.088
669 HG2 ARG 84 1HG ARG 84 8.672 -1.658 8.341
670 HG3 ARG 84 2HG ARG 84 10.250 -1.265 9.026
671 HD2 ARG 84 1HD ARG 84 10.776 -3.625 9.225
672 HD3 ARG 84 2HD ARG 84 9.171 -4.052 8.630
673 HE ARG 84 HE ARG 84 10.518 -2.383 6.776
674 HH11 ARG 84 1HH1 ARG 84 10.407 -5.681 7.963
675 HH12 ARG 84 2HH1 ARG 84 11.002 -6.369 6.483
676 HH21 ARG 84 1HH2 ARG 84 11.319 -3.290 4.836
677 HH22 ARG 84 2HH2 ARG 84 11.525 -5.010 4.711
678 H THR 85 H THR 85 6.964 -4.954 11.940
679 HA THR 85 HA THR 85 5.474 -3.454 13.834
680 HB THR 85 HB THR 85 6.385 -6.332 14.036
681 HG1 THR 85 HG1 THR 85 4.877 -5.309 12.201
682 HG21 THR 85 3HG2 THR 85 5.563 -5.409 16.154
683 HG22 THR 85 1HG2 THR 85 4.430 -6.593 15.499
684 HG23 THR 85 2HG2 THR 85 4.088 -4.869 15.351
685 HA PRO 86 HA PRO 86 9.150 -2.589 16.202
686 HB2 PRO 86 1HB PRO 86 8.193 -0.423 17.472
687 HB3 PRO 86 2HB PRO 86 8.650 -0.383 15.766
688 HG2 PRO 86 1HG PRO 86 5.962 -0.395 16.999
689 HG3 PRO 86 2HG PRO 86 6.484 0.267 15.443
690 HD2 PRO 86 1HD PRO 86 5.175 -2.215 15.919
691 HD3 PRO 86 2HD PRO 86 5.821 -1.615 14.380
692 H ASP 87 H ASP 87 8.834 -4.591 17.426
693 HA ASP 87 HA ASP 87 7.216 -4.666 19.739
694 HB2 ASP 87 1HB ASP 87 8.282 -6.683 18.674
695 HB3 ASP 87 2HB ASP 87 9.824 -6.147 19.337
696 H ASN 88 H ASN 88 7.513 -3.853 21.714
697 HA ASN 88 HA ASN 88 9.115 -1.564 21.896
698 HB2 ASN 88 1HB ASN 88 7.023 -1.761 23.100
699 HB3 ASN 88 2HB ASN 88 7.660 -3.094 24.058
700 HD21 ASN 88 2HD2 ASN 88 7.871 0.341 23.430
701 HD22 ASN 88 1HD2 ASN 88 8.626 0.758 24.937
702 H GLU 89 H GLU 89 9.880 -4.837 22.663
703 HA GLU 89 HA GLU 89 12.035 -3.999 24.455
704 HB2 GLU 89 1HB GLU 89 11.012 -6.767 23.816
705 HB3 GLU 89 2HB GLU 89 12.241 -6.377 25.014
706 HG2 GLU 89 1HG GLU 89 10.544 -4.962 26.175
707 HG3 GLU 89 2HG GLU 89 9.340 -5.598 25.055
708 H LEU 90 H LEU 90 11.692 -4.396 21.220
709 HA LEU 90 HA LEU 90 14.503 -5.228 20.969
710 HB2 LEU 90 1HB LEU 90 12.191 -6.011 19.213
711 HB3 LEU 90 2HB LEU 90 13.862 -6.166 18.709
712 HG LEU 90 HG LEU 90 12.520 -7.609 20.993
713 HD11 LEU 90 1HD1 LEU 90 12.013 -8.487 18.785
714 HD12 LEU 90 2HD1 LEU 90 13.063 -9.593 19.671
715 HD13 LEU 90 3HD1 LEU 90 13.734 -8.562 18.408
716 HD21 LEU 90 3HD2 LEU 90 14.662 -8.735 21.335
717 HD22 LEU 90 1HD2 LEU 90 14.803 -7.000 21.621
718 HD23 LEU 90 2HD2 LEU 90 15.407 -7.700 20.118
719 H GLU 91 H GLU 91 15.673 -3.632 20.321
720 HA GLU 91 HA GLU 91 14.554 -1.415 18.829
721 HB2 GLU 91 1HB GLU 91 16.172 -0.981 20.621
722 HB3 GLU 91 2HB GLU 91 17.375 -1.954 19.784
723 HG2 GLU 91 1HG GLU 91 17.367 -0.363 17.927
724 HG3 GLU 91 2HG GLU 91 16.171 0.614 18.776
725 H HIS 92 H HIS 92 14.519 -1.312 16.681
726 HA HIS 92 HA HIS 92 15.947 -3.337 15.158
727 HB2 HIS 92 1HB HIS 92 14.032 -1.185 14.231
728 HB3 HIS 92 2HB HIS 92 14.701 -2.455 13.215
729 HD1 HIS 92 HD1 HIS 92 13.940 -4.964 13.876
730 HD2 HIS 92 HD2 HIS 92 11.744 -1.847 15.542
731 HE1 HIS 92 HE1 HIS 92 11.775 -5.988 14.636
732 HE2 HIS 92 HE2 HIS 92 10.379 -4.038 15.395
733 H HIS 93 H HIS 93 18.088 -2.722 15.311
734 HA HIS 93 HA HIS 93 18.891 -0.088 14.362
735 HB2 HIS 93 1HB HIS 93 20.019 -1.255 16.303
736 HB3 HIS 93 2HB HIS 93 20.649 -2.425 15.152
737 HD1 HIS 93 HD1 HIS 93 21.109 1.078 16.362
738 HD2 HIS 93 HD2 HIS 93 22.755 -1.490 13.536
739 HE1 HIS 93 HE1 HIS 93 23.238 2.176 15.606
740 HE2 HIS 93 HE2 HIS 93 24.087 0.718 13.739
741 H HIS 94 H HIS 94 20.122 0.248 12.452
742 HA HIS 94 HA HIS 94 19.913 -1.991 10.535
743 HB2 HIS 94 1HB HIS 94 19.538 0.972 10.087
744 HB3 HIS 94 2HB HIS 94 19.776 -0.168 8.771
745 HD1 HIS 94 HD1 HIS 94 17.747 -1.381 7.929
746 HD2 HIS 94 HD2 HIS 94 17.077 0.572 11.542
747 HE1 HIS 94 HE1 HIS 94 15.275 -1.540 8.339
748 HE2 HIS 94 HE2 HIS 94 14.871 -0.122 10.382
749 H HIS 95 H HIS 95 21.409 -1.678 8.622
750 HA HIS 95 HA HIS 95 24.074 -0.927 9.560
751 HB2 HIS 95 1HB HIS 95 23.095 -2.328 7.067
752 HB3 HIS 95 2HB HIS 95 24.774 -1.850 7.295
753 HD1 HIS 95 HD1 HIS 95 25.969 -3.987 7.687
754 HD2 HIS 95 HD2 HIS 95 22.455 -3.734 9.897
755 HE1 HIS 95 HE1 HIS 95 25.953 -6.016 9.179
756 HE2 HIS 95 HE2 HIS 95 23.718 -5.946 10.341
757 H HIS 96 H HIS 96 21.766 0.855 8.853
758 HA HIS 96 HA HIS 96 23.254 2.706 7.127
759 HB2 HIS 96 1HB HIS 96 21.126 1.541 6.136
760 HB3 HIS 96 2HB HIS 96 20.248 2.652 7.179
761 HD1 HIS 96 HD1 HIS 96 20.096 5.091 6.440
762 HD2 HIS 96 HD2 HIS 96 22.547 2.761 4.013
763 HE1 HIS 96 HE1 HIS 96 20.560 6.487 4.398
764 HE2 HIS 96 HE2 HIS 96 22.002 5.041 2.916
765 H HIS 97 H HIS 97 20.808 2.249 9.636
766 HA HIS 97 HA HIS 97 21.699 4.756 10.890
767 HB2 HIS 97 1HB HIS 97 19.309 4.825 10.518
768 HB3 HIS 97 2HB HIS 97 19.104 3.221 11.209
769 HD1 HIS 97 HD1 HIS 97 20.028 6.749 12.271
770 HD2 HIS 97 HD2 HIS 97 18.627 3.188 13.909
771 HE1 HIS 97 HE1 HIS 97 19.456 7.277 14.665
772 HE2 HIS 97 HE2 HIS 97 18.494 5.145 15.601
Start of MODEL 13
1 H1 MET 1 1H MET 1 8.347 -22.611 -4.985
2 H2 MET 1 2H MET 1 7.431 -23.897 -5.610
3 H3 MET 1 3H MET 1 6.812 -22.945 -4.351
4 HA MET 1 HA MET 1 7.456 -21.921 -7.047
5 HB2 MET 1 1HB MET 1 5.620 -23.520 -7.200
6 HB3 MET 1 2HB MET 1 4.787 -22.724 -5.871
7 HG2 MET 1 1HG MET 1 4.522 -20.718 -7.223
8 HG3 MET 1 2HG MET 1 5.385 -21.490 -8.552
9 HE1 MET 1 3HE MET 1 3.307 -20.823 -10.126
10 HE2 MET 1 1HE MET 1 2.459 -20.127 -8.743
11 HE3 MET 1 2HE MET 1 1.643 -21.294 -9.784
12 H ALA 2 H ALA 2 5.076 -21.336 -4.467
13 HA ALA 2 HA ALA 2 4.417 -19.471 -3.375
14 HB1 ALA 2 3HB ALA 2 7.241 -18.515 -3.827
15 HB2 ALA 2 1HB ALA 2 6.700 -19.523 -2.484
16 HB3 ALA 2 2HB ALA 2 6.093 -17.875 -2.649
17 HA PRO 3 HA PRO 3 3.502 -17.121 -7.222
18 HB2 PRO 3 1HB PRO 3 0.854 -16.855 -6.643
19 HB3 PRO 3 2HB PRO 3 1.526 -18.246 -7.500
20 HG2 PRO 3 1HG PRO 3 0.775 -17.973 -4.621
21 HG3 PRO 3 2HG PRO 3 0.515 -19.337 -5.723
22 HD2 PRO 3 1HD PRO 3 2.511 -19.295 -3.893
23 HD3 PRO 3 2HD PRO 3 2.661 -20.126 -5.454
24 H LEU 4 H LEU 4 2.914 -16.597 -3.827
25 HA LEU 4 HA LEU 4 2.059 -13.886 -4.014
26 HB2 LEU 4 1HB LEU 4 1.903 -15.577 -2.031
27 HB3 LEU 4 2HB LEU 4 3.511 -15.001 -1.649
28 HG LEU 4 HG LEU 4 2.664 -12.731 -1.392
29 HD11 LEU 4 1HD1 LEU 4 0.811 -12.841 -2.978
30 HD12 LEU 4 2HD1 LEU 4 0.257 -12.313 -1.389
31 HD13 LEU 4 3HD1 LEU 4 -0.036 -13.969 -1.918
32 HD21 LEU 4 3HD2 LEU 4 2.774 -14.213 0.533
33 HD22 LEU 4 1HD2 LEU 4 1.156 -14.820 0.174
34 HD23 LEU 4 2HD2 LEU 4 1.380 -13.139 0.657
35 H GLN 5 H GLN 5 3.294 -12.298 -4.781
36 HA GLN 5 HA GLN 5 6.194 -12.469 -4.402
37 HB2 GLN 5 1HB GLN 5 4.579 -10.604 -6.154
38 HB3 GLN 5 2HB GLN 5 6.334 -10.693 -6.092
39 HG2 GLN 5 1HG GLN 5 6.214 -13.026 -6.872
40 HG3 GLN 5 2HG GLN 5 4.466 -12.865 -7.006
41 HE21 GLN 5 2HE2 GLN 5 6.433 -13.481 -9.040
42 HE22 GLN 5 1HE2 GLN 5 6.247 -12.273 -10.268
43 H GLN 6 H GLN 6 6.926 -11.536 -2.634
44 HA GLN 6 HA GLN 6 5.455 -9.240 -1.568
45 HB2 GLN 6 1HB GLN 6 7.382 -11.144 -0.244
46 HB3 GLN 6 2HB GLN 6 6.758 -9.696 0.534
47 HG2 GLN 6 1HG GLN 6 4.457 -10.581 0.182
48 HG3 GLN 6 2HG GLN 6 5.181 -12.077 -0.405
49 HE21 GLN 6 2HE2 GLN 6 3.475 -11.557 1.926
50 HE22 GLN 6 1HE2 GLN 6 4.361 -12.126 3.301
51 H LYS 7 H LYS 7 6.179 -7.388 -2.132
52 HA LYS 7 HA LYS 7 9.081 -6.954 -2.426
53 HB2 LYS 7 1HB LYS 7 8.004 -6.622 -4.545
54 HB3 LYS 7 2HB LYS 7 6.719 -5.673 -3.815
55 HG2 LYS 7 1HG LYS 7 8.093 -4.128 -4.913
56 HG3 LYS 7 2HG LYS 7 8.504 -3.981 -3.205
57 HD2 LYS 7 1HD LYS 7 10.534 -3.965 -4.482
58 HD3 LYS 7 2HD LYS 7 10.439 -5.495 -3.607
59 HE2 LYS 7 1HE LYS 7 9.685 -6.632 -5.603
60 HE3 LYS 7 2HE LYS 7 9.634 -5.108 -6.488
61 HZ1 LYS 7 3HZ LYS 7 12.069 -6.389 -5.367
62 HZ2 LYS 7 1HZ LYS 7 12.028 -4.914 -6.202
63 HZ3 LYS 7 2HZ LYS 7 11.629 -6.350 -7.007
64 H GLN 8 H GLN 8 9.968 -5.587 -0.982
65 HA GLN 8 HA GLN 8 8.273 -4.207 0.878
66 HB2 GLN 8 1HB GLN 8 11.269 -4.205 0.521
67 HB3 GLN 8 2HB GLN 8 10.436 -3.297 1.778
68 HG2 GLN 8 1HG GLN 8 9.399 -5.513 2.468
69 HG3 GLN 8 2HG GLN 8 10.601 -6.269 1.425
70 HE21 GLN 8 2HE2 GLN 8 10.194 -6.406 4.319
71 HE22 GLN 8 1HE2 GLN 8 11.700 -5.927 5.025
72 H VAL 9 H VAL 9 7.541 -2.229 0.779
73 HA VAL 9 HA VAL 9 8.569 -0.443 -1.315
74 HB VAL 9 HB VAL 9 6.189 0.190 -1.819
75 HG11 VAL 9 1HG1 VAL 9 5.748 -1.738 -3.269
76 HG12 VAL 9 2HG1 VAL 9 6.966 -2.668 -2.394
77 HG13 VAL 9 3HG1 VAL 9 7.442 -1.251 -3.329
78 HG21 VAL 9 3HG2 VAL 9 5.608 -2.291 -0.207
79 HG22 VAL 9 1HG2 VAL 9 4.440 -1.462 -1.234
80 HG23 VAL 9 2HG2 VAL 9 5.114 -0.642 0.174
81 H VAL 10 H VAL 10 7.805 1.773 -1.075
82 HA VAL 10 HA VAL 10 7.494 2.541 1.744
83 HB VAL 10 HB VAL 10 8.018 4.370 -0.598
84 HG11 VAL 10 1HG1 VAL 10 8.463 4.709 2.364
85 HG12 VAL 10 2HG1 VAL 10 7.194 5.468 1.402
86 HG13 VAL 10 3HG1 VAL 10 8.884 5.888 1.122
87 HG21 VAL 10 3HG2 VAL 10 10.393 4.318 0.018
88 HG22 VAL 10 1HG2 VAL 10 9.815 2.751 -0.543
89 HG23 VAL 10 2HG2 VAL 10 10.052 3.037 1.179
90 H VAL 11 H VAL 11 5.490 3.089 2.425
91 HA VAL 11 HA VAL 11 3.366 3.744 0.619
92 HB VAL 11 HB VAL 11 3.496 4.335 3.585
93 HG11 VAL 11 1HG1 VAL 11 1.049 4.229 3.458
94 HG12 VAL 11 2HG1 VAL 11 1.157 3.972 1.716
95 HG13 VAL 11 3HG1 VAL 11 1.704 5.494 2.419
96 HG21 VAL 11 3HG2 VAL 11 3.956 1.977 3.219
97 HG22 VAL 11 1HG2 VAL 11 2.527 1.841 2.195
98 HG23 VAL 11 2HG2 VAL 11 2.348 2.190 3.914
99 H SER 12 H SER 12 3.924 5.472 -0.645
100 HA SER 12 HA SER 12 5.570 7.569 0.314
101 HB2 SER 12 1HB SER 12 5.022 8.600 -1.949
102 HB3 SER 12 2HB SER 12 5.772 7.004 -1.977
103 HG SER 12 HG SER 12 3.927 7.251 -3.395
104 H ASN 13 H ASN 13 2.125 7.443 -0.523
105 HA ASN 13 HA ASN 13 1.467 9.382 1.453
106 HB2 ASN 13 1HB ASN 13 2.442 10.848 -0.344
107 HB3 ASN 13 2HB ASN 13 1.168 10.289 -1.423
108 HD21 ASN 13 2HD2 ASN 13 0.345 12.366 -1.675
109 HD22 ASN 13 1HD2 ASN 13 -0.540 13.158 -0.414
110 H LYS 14 H LYS 14 -0.749 9.523 1.792
111 HA LYS 14 HA LYS 14 -2.376 7.584 0.350
112 HB2 LYS 14 1HB LYS 14 -4.094 8.088 2.070
113 HB3 LYS 14 2HB LYS 14 -2.577 7.539 2.769
114 HG2 LYS 14 1HG LYS 14 -1.989 9.820 3.343
115 HG3 LYS 14 2HG LYS 14 -3.468 10.408 2.582
116 HD2 LYS 14 1HD LYS 14 -4.786 9.086 4.195
117 HD3 LYS 14 2HD LYS 14 -3.285 8.588 4.980
118 HE2 LYS 14 1HE LYS 14 -2.764 10.936 5.447
119 HE3 LYS 14 2HE LYS 14 -4.277 11.419 4.681
120 HZ1 LYS 14 3HZ LYS 14 -3.987 9.774 7.142
121 HZ2 LYS 14 1HZ LYS 14 -5.465 10.115 6.375
122 HZ3 LYS 14 2HZ LYS 14 -4.547 11.372 7.047
123 H ARG 15 H ARG 15 -3.654 8.174 -1.271
124 HA ARG 15 HA ARG 15 -3.946 11.069 -1.732
125 HB2 ARG 15 1HB ARG 15 -4.068 8.914 -3.839
126 HB3 ARG 15 2HB ARG 15 -3.901 10.646 -4.081
127 HG2 ARG 15 1HG ARG 15 -1.661 10.542 -3.055
128 HG3 ARG 15 2HG ARG 15 -1.835 8.789 -2.918
129 HD2 ARG 15 1HD ARG 15 -2.214 8.738 -5.399
130 HD3 ARG 15 2HD ARG 15 -1.765 10.441 -5.436
131 HE ARG 15 HE ARG 15 0.029 8.236 -4.635
132 HH11 ARG 15 1HH1 ARG 15 -0.502 11.453 -5.900
133 HH12 ARG 15 2HH1 ARG 15 1.160 11.686 -6.364
134 HH21 ARG 15 1HH2 ARG 15 2.225 8.540 -5.242
135 HH22 ARG 15 2HH2 ARG 15 2.700 10.028 -5.992
136 H GLU 16 H GLU 16 -5.919 11.893 -2.265
137 HA GLU 16 HA GLU 16 -8.215 10.098 -2.072
138 HB2 GLU 16 1HB GLU 16 -8.166 12.223 -0.756
139 HB3 GLU 16 2HB GLU 16 -8.136 13.117 -2.268
140 HG2 GLU 16 1HG GLU 16 -10.316 12.047 -2.847
141 HG3 GLU 16 2HG GLU 16 -10.349 11.377 -1.216
142 H LYS 17 H LYS 17 -8.235 9.060 -4.045
143 HA LYS 17 HA LYS 17 -8.182 10.730 -6.450
144 HB2 LYS 17 1HB LYS 17 -7.834 7.770 -6.022
145 HB3 LYS 17 2HB LYS 17 -8.017 8.480 -7.620
146 HG2 LYS 17 1HG LYS 17 -5.859 9.267 -5.675
147 HG3 LYS 17 2HG LYS 17 -5.662 8.044 -6.933
148 HD2 LYS 17 1HD LYS 17 -6.185 9.721 -8.641
149 HD3 LYS 17 2HD LYS 17 -6.379 10.942 -7.381
150 HE2 LYS 17 1HE LYS 17 -4.060 10.749 -6.767
151 HE3 LYS 17 2HE LYS 17 -3.838 9.398 -7.878
152 HZ1 LYS 17 3HZ LYS 17 -3.002 11.504 -8.775
153 HZ2 LYS 17 1HZ LYS 17 -4.564 12.164 -8.691
154 HZ3 LYS 17 2HZ LYS 17 -4.248 10.860 -9.731
155 HA PRO 18 HA PRO 18 -12.579 9.842 -6.789
156 HB2 PRO 18 1HB PRO 18 -13.210 12.207 -7.967
157 HB3 PRO 18 2HB PRO 18 -13.065 12.017 -6.219
158 HG2 PRO 18 1HG PRO 18 -11.296 13.414 -8.089
159 HG3 PRO 18 2HG PRO 18 -11.404 13.556 -6.328
160 HD2 PRO 18 1HD PRO 18 -9.491 12.073 -7.904
161 HD3 PRO 18 2HD PRO 18 -9.538 12.295 -6.145
162 H VAL 19 H VAL 19 -12.633 8.323 -8.365
163 HA VAL 19 HA VAL 19 -11.354 8.669 -10.886
164 HB VAL 19 HB VAL 19 -13.353 6.537 -10.122
165 HG11 VAL 19 1HG1 VAL 19 -11.205 6.595 -12.241
166 HG12 VAL 19 2HG1 VAL 19 -12.944 6.686 -12.520
167 HG13 VAL 19 3HG1 VAL 19 -12.232 5.214 -11.857
168 HG21 VAL 19 3HG2 VAL 19 -11.535 6.598 -8.511
169 HG22 VAL 19 1HG2 VAL 19 -10.353 6.560 -9.819
170 HG23 VAL 19 2HG2 VAL 19 -11.401 5.170 -9.538
171 H ASN 20 H ASN 20 -14.768 7.832 -10.317
172 HA ASN 20 HA ASN 20 -16.621 8.188 -11.568
173 HB2 ASN 20 1HB ASN 20 -15.383 10.943 -11.724
174 HB3 ASN 20 2HB ASN 20 -17.031 10.569 -12.225
175 HD21 ASN 20 2HD2 ASN 20 -16.044 12.338 -10.100
176 HD22 ASN 20 1HD2 ASN 20 -16.789 11.775 -8.638
177 H ASP 21 H ASP 21 -15.616 6.671 -13.053
178 HA ASP 21 HA ASP 21 -14.249 7.480 -15.394
179 HB2 ASP 21 1HB ASP 21 -14.138 5.199 -14.441
180 HB3 ASP 21 2HB ASP 21 -15.835 4.957 -14.831
181 H ARG 22 H ARG 22 -15.162 7.057 -17.626
182 HA ARG 22 HA ARG 22 -17.410 8.678 -18.106
183 HB2 ARG 22 1HB ARG 22 -15.548 8.172 -19.720
184 HB3 ARG 22 2HB ARG 22 -16.258 6.581 -19.954
185 HG2 ARG 22 1HG ARG 22 -18.349 7.709 -20.712
186 HG3 ARG 22 2HG ARG 22 -17.474 9.242 -20.647
187 HD2 ARG 22 1HD ARG 22 -15.809 8.308 -22.219
188 HD3 ARG 22 2HD ARG 22 -16.786 6.845 -22.338
189 HE ARG 22 HE ARG 22 -17.316 9.413 -23.551
190 HH11 ARG 22 1HH1 ARG 22 -18.678 6.327 -22.587
191 HH12 ARG 22 2HH1 ARG 22 -19.958 6.387 -23.767
192 HH21 ARG 22 1HH2 ARG 22 -18.957 9.465 -25.123
193 HH22 ARG 22 2HH2 ARG 22 -20.106 8.164 -25.218
194 H ARG 23 H ARG 23 -17.083 5.335 -17.343
195 HA ARG 23 HA ARG 23 -19.559 4.389 -18.344
196 HB2 ARG 23 1HB ARG 23 -17.579 3.002 -17.580
197 HB3 ARG 23 2HB ARG 23 -18.075 3.345 -15.930
198 HG2 ARG 23 1HG ARG 23 -20.221 2.252 -16.346
199 HG3 ARG 23 2HG ARG 23 -19.718 1.906 -18.002
200 HD2 ARG 23 1HD ARG 23 -18.492 0.857 -15.457
201 HD3 ARG 23 2HD ARG 23 -19.373 -0.062 -16.675
202 HE ARG 23 HE ARG 23 -16.659 1.051 -16.963
203 HH11 ARG 23 1HH1 ARG 23 -19.224 -1.044 -18.118
204 HH12 ARG 23 2HH1 ARG 23 -18.219 -1.838 -19.290
205 HH21 ARG 23 1HH2 ARG 23 -15.323 -0.021 -18.461
206 HH22 ARG 23 2HH2 ARG 23 -15.982 -1.285 -19.459
207 H SER 24 H SER 24 -18.603 6.029 -15.408
208 HA SER 24 HA SER 24 -21.280 5.713 -14.276
209 HB2 SER 24 1HB SER 24 -20.178 6.846 -12.268
210 HB3 SER 24 2HB SER 24 -19.589 5.236 -12.680
211 HG SER 24 HG SER 24 -18.317 7.426 -13.860
212 H ARG 25 H ARG 25 -22.743 7.275 -14.399
213 HA ARG 25 HA ARG 25 -21.817 9.999 -15.062
214 HB2 ARG 25 1HB ARG 25 -24.263 8.574 -16.135
215 HB3 ARG 25 2HB ARG 25 -23.848 10.255 -16.451
216 HG2 ARG 25 1HG ARG 25 -21.855 9.587 -17.633
217 HG3 ARG 25 2HG ARG 25 -22.140 7.896 -17.222
218 HD2 ARG 25 1HD ARG 25 -23.867 9.646 -18.970
219 HD3 ARG 25 2HD ARG 25 -22.827 8.326 -19.503
220 HE ARG 25 HE ARG 25 -25.377 8.086 -18.084
221 HH11 ARG 25 1HH1 ARG 25 -22.641 6.524 -19.619
222 HH12 ARG 25 2HH1 ARG 25 -23.421 4.979 -19.719
223 HH21 ARG 25 1HH2 ARG 25 -26.393 6.059 -18.194
224 HH22 ARG 25 2HH2 ARG 25 -25.544 4.699 -18.866
225 H GLN 26 H GLN 26 -23.927 11.522 -14.756
226 HA GLN 26 HA GLN 26 -24.430 11.374 -11.936
227 HB2 GLN 26 1HB GLN 26 -25.466 13.301 -14.015
228 HB3 GLN 26 2HB GLN 26 -25.733 13.463 -12.284
229 HG2 GLN 26 1HG GLN 26 -23.221 13.463 -12.029
230 HG3 GLN 26 2HG GLN 26 -23.135 13.629 -13.781
231 HE21 GLN 26 2HE2 GLN 26 -22.230 15.446 -11.711
232 HE22 GLN 26 1HE2 GLN 26 -23.063 16.940 -11.971
233 H GLN 27 H GLN 27 -25.781 9.702 -14.337
234 HA GLN 27 HA GLN 27 -28.521 9.715 -13.469
235 HB2 GLN 27 1HB GLN 27 -26.964 7.765 -15.177
236 HB3 GLN 27 2HB GLN 27 -28.696 7.670 -14.889
237 HG2 GLN 27 1HG GLN 27 -29.064 9.743 -16.016
238 HG3 GLN 27 2HG GLN 27 -27.330 10.034 -16.148
239 HE21 GLN 27 2HE2 GLN 27 -29.405 9.843 -18.215
240 HE22 GLN 27 1HE2 GLN 27 -28.850 8.616 -19.303
241 H GLU 28 H GLU 28 -25.590 8.350 -12.421
242 HA GLU 28 HA GLU 28 -26.865 6.312 -10.790
243 HB2 GLU 28 1HB GLU 28 -24.008 7.188 -11.181
244 HB3 GLU 28 2HB GLU 28 -24.460 6.130 -9.854
245 HG2 GLU 28 1HG GLU 28 -23.651 4.768 -11.612
246 HG3 GLU 28 2HG GLU 28 -25.395 4.543 -11.530
247 H VAL 29 H VAL 29 -27.329 6.534 -8.657
248 HA VAL 29 HA VAL 29 -27.215 9.225 -7.579
249 HB VAL 29 HB VAL 29 -28.400 6.744 -6.320
250 HG11 VAL 29 1HG1 VAL 29 -28.798 9.668 -5.698
251 HG12 VAL 29 2HG1 VAL 29 -27.877 8.521 -4.727
252 HG13 VAL 29 3HG1 VAL 29 -29.622 8.322 -4.910
253 HG21 VAL 29 3HG2 VAL 29 -29.488 7.237 -8.446
254 HG22 VAL 29 1HG2 VAL 29 -29.737 8.909 -7.944
255 HG23 VAL 29 2HG2 VAL 29 -30.563 7.602 -7.096
256 H SER 30 H SER 30 -25.704 6.121 -7.119
257 HA SER 30 HA SER 30 -24.071 7.293 -4.967
258 HB2 SER 30 1HB SER 30 -25.425 5.292 -4.311
259 HB3 SER 30 2HB SER 30 -24.538 4.350 -5.508
260 HG SER 30 HG SER 30 -23.662 5.453 -3.074
261 HA PRO 31 HA PRO 31 -21.128 6.655 -8.449
262 HB2 PRO 31 1HB PRO 31 -20.239 9.364 -8.043
263 HB3 PRO 31 2HB PRO 31 -21.092 8.699 -9.437
264 HG2 PRO 31 1HG PRO 31 -22.178 10.543 -7.712
265 HG3 PRO 31 2HG PRO 31 -23.134 9.410 -8.682
266 HD2 PRO 31 1HD PRO 31 -22.325 9.224 -5.805
267 HD3 PRO 31 2HD PRO 31 -23.887 8.843 -6.566
268 H ALA 32 H ALA 32 -20.966 8.022 -5.281
269 HA ALA 32 HA ALA 32 -18.652 6.546 -4.564
270 HB1 ALA 32 3HB ALA 32 -18.348 9.548 -4.709
271 HB2 ALA 32 1HB ALA 32 -17.525 8.376 -5.740
272 HB3 ALA 32 2HB ALA 32 -17.184 8.422 -4.011
273 H GLY 33 H GLY 33 -20.050 5.793 -2.951
274 HA2 GLY 33 1HA GLY 33 -21.434 7.359 -1.088
275 HA3 GLY 33 2HA GLY 33 -20.792 5.750 -0.770
276 H THR 34 H THR 34 -18.198 5.938 -0.771
277 HA THR 34 HA THR 34 -17.471 7.815 1.298
278 HB THR 34 HB THR 34 -15.618 5.983 -0.238
279 HG1 THR 34 HG1 THR 34 -17.261 5.428 2.042
280 HG21 THR 34 3HG2 THR 34 -14.302 6.044 1.831
281 HG22 THR 34 1HG2 THR 34 -15.493 7.121 2.560
282 HG23 THR 34 2HG2 THR 34 -14.539 7.665 1.180
283 H SER 35 H SER 35 -17.468 9.868 0.482
284 HA SER 35 HA SER 35 -16.755 10.541 -2.158
285 HB2 SER 35 1HB SER 35 -18.204 11.919 -0.626
286 HB3 SER 35 2HB SER 35 -16.739 12.395 0.234
287 HG SER 35 HG SER 35 -17.345 13.924 -1.368
288 H MET 36 H MET 36 -14.961 10.494 0.861
289 HA MET 36 HA MET 36 -12.522 11.280 -0.545
290 HB2 MET 36 1HB MET 36 -13.006 10.690 2.382
291 HB3 MET 36 2HB MET 36 -11.470 11.206 1.700
292 HG2 MET 36 1HG MET 36 -12.446 13.326 1.043
293 HG3 MET 36 2HG MET 36 -14.020 12.808 1.645
294 HE1 MET 36 3HE MET 36 -10.510 12.109 3.283
295 HE2 MET 36 1HE MET 36 -10.346 13.498 4.357
296 HE3 MET 36 2HE MET 36 -10.326 13.728 2.609
297 H ARG 37 H ARG 37 -12.542 9.361 -1.867
298 HA ARG 37 HA ARG 37 -12.242 6.780 -0.690
299 HB2 ARG 37 1HB ARG 37 -11.879 7.859 -3.469
300 HB3 ARG 37 2HB ARG 37 -11.369 6.224 -3.071
301 HG2 ARG 37 1HG ARG 37 -13.637 5.675 -2.371
302 HG3 ARG 37 2HG ARG 37 -14.155 7.321 -2.743
303 HD2 ARG 37 1HD ARG 37 -13.716 7.011 -5.066
304 HD3 ARG 37 2HD ARG 37 -12.921 5.467 -4.767
305 HE ARG 37 HE ARG 37 -15.254 4.786 -3.912
306 HH11 ARG 37 1HH1 ARG 37 -14.664 7.017 -6.543
307 HH12 ARG 37 2HH1 ARG 37 -16.106 6.595 -7.409
308 HH21 ARG 37 1HH2 ARG 37 -17.163 4.230 -5.038
309 HH22 ARG 37 2HH2 ARG 37 -17.539 5.018 -6.538
310 H TYR 38 H TYR 38 -10.560 6.186 0.433
311 HA TYR 38 HA TYR 38 -8.048 7.578 0.196
312 HB2 TYR 38 1HB TYR 38 -8.657 5.187 1.936
313 HB3 TYR 38 2HB TYR 38 -7.364 6.360 2.142
314 HD1 TYR 38 HD1 TYR 38 -8.420 8.919 2.214
315 HD2 TYR 38 HD2 TYR 38 -10.324 5.334 3.487
316 HE1 TYR 38 HE1 TYR 38 -9.853 10.224 3.731
317 HE2 TYR 38 HE2 TYR 38 -11.765 6.628 5.000
318 HH TYR 38 HH TYR 38 -12.281 9.804 4.805
319 H GLU 39 H GLU 39 -6.604 7.021 -1.254
320 HA GLU 39 HA GLU 39 -6.147 4.154 -1.709
321 HB2 GLU 39 1HB GLU 39 -5.811 6.449 -3.642
322 HB3 GLU 39 2HB GLU 39 -5.160 4.843 -3.917
323 HG2 GLU 39 1HG GLU 39 -7.624 4.086 -3.559
324 HG3 GLU 39 2HG GLU 39 -7.987 5.769 -3.940
325 H ALA 40 H ALA 40 -4.003 3.472 -1.678
326 HA ALA 40 HA ALA 40 -2.089 5.509 -0.738
327 HB1 ALA 40 3HB ALA 40 -1.006 3.779 0.594
328 HB2 ALA 40 1HB ALA 40 -2.188 2.595 0.036
329 HB3 ALA 40 2HB ALA 40 -2.703 3.947 1.045
330 H SER 41 H SER 41 -0.240 5.705 -1.828
331 HA SER 41 HA SER 41 0.214 3.899 -4.069
332 HB2 SER 41 1HB SER 41 1.584 6.500 -3.342
333 HB3 SER 41 2HB SER 41 1.831 5.587 -4.831
334 HG SER 41 HG SER 41 -0.444 5.900 -5.250
335 H PHE 42 H PHE 42 1.603 2.312 -3.950
336 HA PHE 42 HA PHE 42 3.607 2.309 -1.808
337 HB2 PHE 42 1HB PHE 42 2.580 0.048 -3.544
338 HB3 PHE 42 2HB PHE 42 3.754 -0.120 -2.242
339 HD1 PHE 42 HD1 PHE 42 3.037 0.429 0.106
340 HD2 PHE 42 HD2 PHE 42 0.282 0.027 -3.109
341 HE1 PHE 42 HE1 PHE 42 1.204 0.130 1.719
342 HE2 PHE 42 HE2 PHE 42 -1.557 -0.270 -1.503
343 HZ PHE 42 HZ PHE 42 -1.097 -0.218 0.916
344 H LYS 43 H LYS 43 5.508 2.998 -2.348
345 HA LYS 43 HA LYS 43 6.370 2.921 -5.149
346 HB2 LYS 43 1HB LYS 43 6.286 5.081 -3.902
347 HB3 LYS 43 2HB LYS 43 7.497 4.452 -2.798
348 HG2 LYS 43 1HG LYS 43 9.120 4.340 -4.579
349 HG3 LYS 43 2HG LYS 43 7.903 4.849 -5.754
350 HD2 LYS 43 1HD LYS 43 7.632 6.963 -4.522
351 HD3 LYS 43 2HD LYS 43 8.896 6.456 -3.402
352 HE2 LYS 43 1HE LYS 43 10.511 6.409 -5.209
353 HE3 LYS 43 2HE LYS 43 9.252 6.831 -6.370
354 HZ1 LYS 43 3HZ LYS 43 10.562 8.765 -5.733
355 HZ2 LYS 43 1HZ LYS 43 10.147 8.532 -4.104
356 HZ3 LYS 43 2HZ LYS 43 8.950 8.938 -5.233
357 HA PRO 44 HA PRO 44 8.928 -0.567 -3.990
358 HB2 PRO 44 1HB PRO 44 10.137 -0.096 -6.646
359 HB3 PRO 44 2HB PRO 44 9.355 -1.544 -6.005
360 HG2 PRO 44 1HG PRO 44 8.155 -0.024 -7.850
361 HG3 PRO 44 2HG PRO 44 7.232 -0.801 -6.549
362 HD2 PRO 44 1HD PRO 44 8.127 2.048 -6.800
363 HD3 PRO 44 2HD PRO 44 6.577 1.402 -6.222
364 H LEU 45 H LEU 45 10.841 -0.706 -3.004
365 HA LEU 45 HA LEU 45 12.415 1.571 -2.549
366 HB2 LEU 45 1HB LEU 45 12.933 -1.349 -2.022
367 HB3 LEU 45 2HB LEU 45 14.005 -0.071 -1.481
368 HG LEU 45 HG LEU 45 11.100 -0.279 -0.687
369 HD11 LEU 45 1HD1 LEU 45 12.367 -2.185 0.168
370 HD12 LEU 45 2HD1 LEU 45 11.908 -1.079 1.463
371 HD13 LEU 45 3HD1 LEU 45 13.564 -1.085 0.852
372 HD21 LEU 45 3HD2 LEU 45 11.736 1.342 1.028
373 HD22 LEU 45 1HD2 LEU 45 12.012 1.977 -0.593
374 HD23 LEU 45 2HD2 LEU 45 13.372 1.399 0.371
375 H ASN 46 H ASN 46 12.773 -1.064 -4.846
376 HA ASN 46 HA ASN 46 15.397 -0.077 -5.628
377 HB2 ASN 46 1HB ASN 46 15.472 -2.074 -7.115
378 HB3 ASN 46 2HB ASN 46 15.232 -2.483 -5.421
379 HD21 ASN 46 2HD2 ASN 46 13.787 -2.388 -8.588
380 HD22 ASN 46 1HD2 ASN 46 12.406 -3.362 -8.196
381 H GLY 47 H GLY 47 12.763 1.247 -6.132
382 HA2 GLY 47 1HA GLY 47 12.286 2.832 -7.799
383 HA3 GLY 47 2HA GLY 47 13.327 1.948 -8.904
384 H GLY 48 H GLY 48 10.583 2.986 -9.235
385 HA2 GLY 48 1HA GLY 48 9.449 1.344 -10.978
386 HA3 GLY 48 2HA GLY 48 8.983 0.559 -9.475
387 H LEU 49 H LEU 49 7.048 1.432 -11.167
388 HA LEU 49 HA LEU 49 6.137 4.065 -10.675
389 HB2 LEU 49 1HB LEU 49 5.437 2.670 -12.597
390 HB3 LEU 49 2HB LEU 49 4.567 1.619 -11.498
391 HG LEU 49 HG LEU 49 3.155 3.618 -10.867
392 HD11 LEU 49 1HD1 LEU 49 4.490 4.805 -13.295
393 HD12 LEU 49 2HD1 LEU 49 4.659 5.369 -11.632
394 HD13 LEU 49 3HD1 LEU 49 3.100 5.481 -12.447
395 HD21 LEU 49 3HD2 LEU 49 3.094 2.704 -13.739
396 HD22 LEU 49 1HD2 LEU 49 1.761 3.462 -12.867
397 HD23 LEU 49 2HD2 LEU 49 2.352 1.877 -12.370
398 H GLU 50 H GLU 50 4.764 4.881 -9.159
399 HA GLU 50 HA GLU 50 4.429 3.496 -6.705
400 HB2 GLU 50 1HB GLU 50 3.157 6.032 -7.745
401 HB3 GLU 50 2HB GLU 50 2.955 5.435 -6.104
402 HG2 GLU 50 1HG GLU 50 5.348 5.633 -5.721
403 HG3 GLU 50 2HG GLU 50 5.575 6.194 -7.378
404 H LYS 51 H LYS 51 3.097 1.888 -6.383
405 HA LYS 51 HA LYS 51 0.812 1.452 -8.103
406 HB2 LYS 51 1HB LYS 51 1.891 -0.130 -5.762
407 HB3 LYS 51 2HB LYS 51 0.582 -0.653 -6.815
408 HG2 LYS 51 1HG LYS 51 2.029 -0.849 -8.672
409 HG3 LYS 51 2HG LYS 51 3.331 -0.004 -7.832
410 HD2 LYS 51 1HD LYS 51 3.469 -1.860 -6.224
411 HD3 LYS 51 2HD LYS 51 2.198 -2.705 -7.110
412 HE2 LYS 51 1HE LYS 51 4.534 -3.445 -7.641
413 HE3 LYS 51 2HE LYS 51 3.578 -2.936 -9.032
414 HZ1 LYS 51 3HZ LYS 51 5.393 -1.062 -7.648
415 HZ2 LYS 51 1HZ LYS 51 4.751 -0.949 -9.211
416 HZ3 LYS 51 2HZ LYS 51 5.959 -2.094 -8.864
417 H THR 52 H THR 52 -1.009 2.504 -7.693
418 HA THR 52 HA THR 52 -1.658 3.249 -4.941
419 HB THR 52 HB THR 52 -2.948 4.143 -7.531
420 HG1 THR 52 HG1 THR 52 -1.410 5.592 -7.642
421 HG21 THR 52 3HG2 THR 52 -4.434 4.416 -5.634
422 HG22 THR 52 1HG2 THR 52 -3.837 5.990 -6.155
423 HG23 THR 52 2HG2 THR 52 -3.159 5.222 -4.719
424 H PHE 53 H PHE 53 -3.026 2.021 -3.833
425 HA PHE 53 HA PHE 53 -5.046 0.462 -5.312
426 HB2 PHE 53 1HB PHE 53 -3.512 -0.394 -2.848
427 HB3 PHE 53 2HB PHE 53 -4.825 -1.302 -3.586
428 HD1 PHE 53 HD2 PHE 53 -4.438 -1.686 -6.227
429 HD2 PHE 53 HD1 PHE 53 -1.393 -1.089 -3.318
430 HE1 PHE 53 HE2 PHE 53 -2.823 -2.826 -7.691
431 HE2 PHE 53 HE1 PHE 53 0.229 -2.228 -4.776
432 HZ PHE 53 HZ PHE 53 -0.486 -3.100 -6.965
433 H ARG 54 H ARG 54 -6.950 -0.118 -4.044
434 HA ARG 54 HA ARG 54 -7.966 2.177 -2.635
435 HB2 ARG 54 1HB ARG 54 -9.251 -0.529 -3.086
436 HB3 ARG 54 2HB ARG 54 -10.074 0.940 -2.582
437 HG2 ARG 54 1HG ARG 54 -8.596 0.762 -5.184
438 HG3 ARG 54 2HG ARG 54 -10.276 0.250 -5.019
439 HD2 ARG 54 1HD ARG 54 -11.038 2.384 -4.703
440 HD3 ARG 54 2HD ARG 54 -9.515 2.941 -4.007
441 HE ARG 54 HE ARG 54 -8.600 3.075 -6.211
442 HH11 ARG 54 1HH1 ARG 54 -12.073 2.527 -6.108
443 HH12 ARG 54 2HH1 ARG 54 -12.328 3.095 -7.732
444 HH21 ARG 54 1HH2 ARG 54 -8.946 3.830 -8.319
445 HH22 ARG 54 2HH2 ARG 54 -10.548 3.841 -8.981
446 H LEU 55 H LEU 55 -7.977 2.482 -0.486
447 HA LEU 55 HA LEU 55 -7.821 0.130 1.265
448 HB2 LEU 55 1HB LEU 55 -6.084 2.584 1.371
449 HB3 LEU 55 2HB LEU 55 -6.332 1.561 2.774
450 HG LEU 55 HG LEU 55 -5.074 0.721 0.160
451 HD11 LEU 55 1HD1 LEU 55 -3.636 2.134 1.529
452 HD12 LEU 55 2HD1 LEU 55 -3.051 0.470 1.504
453 HD13 LEU 55 3HD1 LEU 55 -3.910 1.081 2.918
454 HD21 LEU 55 3HD2 LEU 55 -6.358 -1.105 1.141
455 HD22 LEU 55 1HD2 LEU 55 -5.545 -0.857 2.687
456 HD23 LEU 55 2HD2 LEU 55 -4.626 -1.405 1.286
457 H GLN 56 H GLN 56 -9.221 0.168 2.899
458 HA GLN 56 HA GLN 56 -10.860 2.533 3.297
459 HB2 GLN 56 1HB GLN 56 -10.946 -0.201 4.587
460 HB3 GLN 56 2HB GLN 56 -12.095 1.089 4.913
461 HG2 GLN 56 1HG GLN 56 -12.757 1.068 2.546
462 HG3 GLN 56 2HG GLN 56 -11.643 -0.269 2.265
463 HE21 GLN 56 2HE2 GLN 56 -14.549 -0.123 1.951
464 HE22 GLN 56 1HE2 GLN 56 -15.201 -1.384 2.939
465 H ALA 57 H ALA 57 -11.321 3.213 5.602
466 HA ALA 57 HA ALA 57 -8.987 4.177 6.797
467 HB1 ALA 57 3HB ALA 57 -10.414 4.912 8.632
468 HB2 ALA 57 1HB ALA 57 -11.712 3.867 8.054
469 HB3 ALA 57 2HB ALA 57 -11.178 5.233 7.074
470 H GLN 58 H GLN 58 -10.976 1.374 7.584
471 HA GLN 58 HA GLN 58 -9.664 0.610 9.947
472 HB2 GLN 58 1HB GLN 58 -11.847 -0.275 9.271
473 HB3 GLN 58 2HB GLN 58 -11.104 -1.091 7.904
474 HG2 GLN 58 1HG GLN 58 -9.865 -2.535 9.389
475 HG3 GLN 58 2HG GLN 58 -10.487 -1.667 10.792
476 HE21 GLN 58 2HE2 GLN 58 -10.728 -4.493 10.045
477 HE22 GLN 58 1HE2 GLN 58 -12.425 -4.819 10.000
478 H GLN 59 H GLN 59 -8.973 0.003 6.567
479 HA GLN 59 HA GLN 59 -6.928 -1.942 7.084
480 HB2 GLN 59 1HB GLN 59 -7.717 -0.418 4.601
481 HB3 GLN 59 2HB GLN 59 -6.435 -1.621 4.634
482 HG2 GLN 59 1HG GLN 59 -7.982 -3.351 5.205
483 HG3 GLN 59 2HG GLN 59 -9.285 -2.179 5.414
484 HE21 GLN 59 2HE2 GLN 59 -8.995 -4.524 3.638
485 HE22 GLN 59 1HE2 GLN 59 -9.274 -3.918 2.038
486 H TYR 60 H TYR 60 -6.987 1.460 6.067
487 HA TYR 60 HA TYR 60 -4.211 1.803 5.864
488 HB2 TYR 60 1HB TYR 60 -5.728 3.396 4.866
489 HB3 TYR 60 2HB TYR 60 -6.389 3.817 6.442
490 HD1 TYR 60 HD1 TYR 60 -3.165 3.821 4.555
491 HD2 TYR 60 HD2 TYR 60 -5.538 5.650 7.576
492 HE1 TYR 60 HE1 TYR 60 -1.483 5.601 4.792
493 HE2 TYR 60 HE2 TYR 60 -3.866 7.432 7.819
494 HH TYR 60 HH TYR 60 -1.512 7.812 7.398
495 H HIS 61 H HIS 61 -6.292 1.706 8.612
496 HA HIS 61 HA HIS 61 -4.834 3.071 10.539
497 HB2 HIS 61 1HB HIS 61 -7.071 2.225 10.956
498 HB3 HIS 61 2HB HIS 61 -6.520 0.567 10.779
499 HD1 HIS 61 HD1 HIS 61 -7.029 3.210 13.272
500 HD2 HIS 61 HD2 HIS 61 -4.861 -0.330 12.978
501 HE1 HIS 61 HE1 HIS 61 -6.395 2.599 15.629
502 HE2 HIS 61 HE2 HIS 61 -5.300 0.328 15.436
503 H ALA 62 H ALA 62 -3.996 0.173 8.884
504 HA ALA 62 HA ALA 62 -2.268 -0.771 11.035
505 HB1 ALA 62 3HB ALA 62 -1.969 -2.765 9.692
506 HB2 ALA 62 1HB ALA 62 -2.842 -2.017 8.354
507 HB3 ALA 62 2HB ALA 62 -3.682 -2.385 9.860
508 H LEU 63 H LEU 63 -1.927 1.369 8.476
509 HA LEU 63 HA LEU 63 0.969 0.936 8.487
510 HB2 LEU 63 1HB LEU 63 1.128 1.312 6.066
511 HB3 LEU 63 2HB LEU 63 0.268 -0.160 6.465
512 HG LEU 63 HG LEU 63 -1.291 2.332 5.879
513 HD11 LEU 63 1HD1 LEU 63 -1.315 1.736 3.510
514 HD12 LEU 63 2HD1 LEU 63 -0.143 0.455 3.815
515 HD13 LEU 63 3HD1 LEU 63 0.316 2.142 4.046
516 HD21 LEU 63 3HD2 LEU 63 -2.918 0.705 5.054
517 HD22 LEU 63 1HD2 LEU 63 -2.455 0.352 6.720
518 HD23 LEU 63 2HD2 LEU 63 -1.788 -0.605 5.399
519 H THR 64 H THR 64 2.218 2.778 7.804
520 HA THR 64 HA THR 64 0.763 5.320 8.133
521 HB THR 64 HB THR 64 3.565 4.775 9.131
522 HG1 THR 64 HG1 THR 64 2.182 3.507 10.362
523 HG21 THR 64 3HG2 THR 64 3.214 6.816 10.437
524 HG22 THR 64 1HG2 THR 64 1.605 6.992 9.737
525 HG23 THR 64 2HG2 THR 64 3.033 7.132 8.712
526 H VAL 65 H VAL 65 1.444 7.047 6.840
527 HA VAL 65 HA VAL 65 2.811 6.509 4.436
528 HB VAL 65 HB VAL 65 2.086 9.101 5.800
529 HG11 VAL 65 1HG1 VAL 65 3.374 8.766 3.090
530 HG12 VAL 65 2HG1 VAL 65 4.120 9.506 4.507
531 HG13 VAL 65 3HG1 VAL 65 2.725 10.270 3.745
532 HG21 VAL 65 3HG2 VAL 65 0.485 9.268 3.959
533 HG22 VAL 65 1HG2 VAL 65 0.256 7.778 4.876
534 HG23 VAL 65 2HG2 VAL 65 1.072 7.735 3.311
535 H GLY 66 H GLY 66 4.897 6.362 4.009
536 HA2 GLY 66 1HA GLY 66 7.181 6.993 4.198
537 HA3 GLY 66 2HA GLY 66 6.851 7.614 5.810
538 H ASP 67 H ASP 67 5.240 4.995 6.173
539 HA ASP 67 HA ASP 67 7.409 3.635 7.476
540 HB2 ASP 67 1HB ASP 67 5.092 3.825 8.435
541 HB3 ASP 67 2HB ASP 67 4.548 2.699 7.196
542 H GLN 68 H GLN 68 8.764 2.885 5.927
543 HA GLN 68 HA GLN 68 8.017 1.364 3.676
544 HB2 GLN 68 1HB GLN 68 10.621 1.192 5.205
545 HB3 GLN 68 2HB GLN 68 10.351 0.730 3.530
546 HG2 GLN 68 1HG GLN 68 9.862 3.075 2.985
547 HG3 GLN 68 2HG GLN 68 10.200 3.517 4.656
548 HE21 GLN 68 2HE2 GLN 68 11.498 4.390 2.209
549 HE22 GLN 68 1HE2 GLN 68 13.173 3.986 2.371
550 H GLY 69 H GLY 69 7.527 -0.741 3.421
551 HA2 GLY 69 1HA GLY 69 8.174 -2.715 5.423
552 HA3 GLY 69 2HA GLY 69 6.470 -2.281 5.389
553 H THR 70 H THR 70 6.479 -4.701 4.885
554 HA THR 70 HA THR 70 7.349 -5.361 2.180
555 HB THR 70 HB THR 70 6.092 -7.191 4.237
556 HG1 THR 70 HG1 THR 70 7.918 -6.865 5.272
557 HG21 THR 70 3HG2 THR 70 7.217 -8.962 2.971
558 HG22 THR 70 1HG2 THR 70 7.835 -7.763 1.834
559 HG23 THR 70 2HG2 THR 70 6.100 -8.062 1.945
560 H LEU 71 H LEU 71 5.958 -5.938 0.511
561 HA LEU 71 HA LEU 71 3.088 -5.571 1.069
562 HB2 LEU 71 1HB LEU 71 4.050 -3.791 -0.323
563 HB3 LEU 71 2HB LEU 71 4.605 -4.988 -1.476
564 HG LEU 71 HG LEU 71 2.251 -5.592 -1.951
565 HD11 LEU 71 1HD1 LEU 71 0.462 -4.128 -1.150
566 HD12 LEU 71 2HD1 LEU 71 1.623 -3.266 -0.139
567 HD13 LEU 71 3HD1 LEU 71 1.266 -4.962 0.180
568 HD21 LEU 71 3HD2 LEU 71 1.704 -3.561 -3.202
569 HD22 LEU 71 1HD2 LEU 71 3.414 -3.972 -3.352
570 HD23 LEU 71 2HD2 LEU 71 2.911 -2.666 -2.279
571 H SER 72 H SER 72 1.919 -7.310 0.871
572 HA SER 72 HA SER 72 2.866 -9.655 -0.612
573 HB2 SER 72 1HB SER 72 2.003 -9.942 1.680
574 HB3 SER 72 2HB SER 72 0.467 -9.222 1.202
575 HG SER 72 HG SER 72 0.607 -11.600 1.243
576 H TYR 73 H TYR 73 2.395 -9.593 -2.751
577 HA TYR 73 HA TYR 73 -0.372 -9.057 -3.512
578 HB2 TYR 73 1HB TYR 73 0.281 -7.584 -5.353
579 HB3 TYR 73 2HB TYR 73 0.787 -6.910 -3.809
580 HD1 TYR 73 HD1 TYR 73 1.981 -8.611 -6.870
581 HD2 TYR 73 HD2 TYR 73 3.090 -6.505 -3.343
582 HE1 TYR 73 HE1 TYR 73 4.275 -8.403 -7.724
583 HE2 TYR 73 HE2 TYR 73 5.388 -6.293 -4.188
584 HH TYR 73 HH TYR 73 6.236 -7.114 -7.444
585 H LYS 74 H LYS 74 -0.827 -9.702 -5.748
586 HA LYS 74 HA LYS 74 1.124 -11.576 -6.895
587 HB2 LYS 74 1HB LYS 74 -1.863 -12.025 -6.673
588 HB3 LYS 74 2HB LYS 74 -0.771 -13.025 -7.620
589 HG2 LYS 74 1HG LYS 74 0.408 -13.692 -5.609
590 HG3 LYS 74 2HG LYS 74 -0.620 -12.635 -4.638
591 HD2 LYS 74 1HD LYS 74 -2.580 -13.946 -5.297
592 HD3 LYS 74 2HD LYS 74 -1.548 -15.002 -6.263
593 HE2 LYS 74 1HE LYS 74 -0.351 -15.692 -4.259
594 HE3 LYS 74 2HE LYS 74 -1.327 -14.596 -3.281
595 HZ1 LYS 74 3HZ LYS 74 -2.365 -16.912 -4.828
596 HZ2 LYS 74 1HZ LYS 74 -3.288 -15.867 -3.858
597 HZ3 LYS 74 2HZ LYS 74 -2.124 -16.878 -3.147
598 H GLY 75 H GLY 75 1.782 -10.051 -8.392
599 HA2 GLY 75 1HA GLY 75 1.661 -8.946 -10.428
600 HA3 GLY 75 2HA GLY 75 -0.018 -9.459 -10.570
601 H THR 76 H THR 76 -1.463 -7.870 -10.467
602 HA THR 76 HA THR 76 -0.764 -5.454 -8.951
603 HB THR 76 HB THR 76 -2.831 -4.521 -10.174
604 HG1 THR 76 HG1 THR 76 -3.821 -5.986 -11.335
605 HG21 THR 76 3HG2 THR 76 -1.504 -3.993 -12.172
606 HG22 THR 76 1HG2 THR 76 -0.360 -5.267 -11.746
607 HG23 THR 76 2HG2 THR 76 -0.537 -3.856 -10.703
608 H ARG 77 H ARG 77 -2.224 -8.284 -8.448
609 HA ARG 77 HA ARG 77 -4.619 -7.429 -7.120
610 HB2 ARG 77 1HB ARG 77 -3.163 -10.033 -7.383
611 HB3 ARG 77 2HB ARG 77 -4.425 -9.856 -6.171
612 HG2 ARG 77 1HG ARG 77 -6.025 -9.262 -7.902
613 HG3 ARG 77 2HG ARG 77 -4.762 -9.401 -9.126
614 HD2 ARG 77 1HD ARG 77 -5.213 -11.726 -7.344
615 HD3 ARG 77 2HD ARG 77 -6.437 -11.389 -8.564
616 HE ARG 77 HE ARG 77 -4.375 -11.389 -10.129
617 HH11 ARG 77 1HH1 ARG 77 -4.735 -13.438 -7.307
618 HH12 ARG 77 2HH1 ARG 77 -3.967 -14.809 -8.053
619 HH21 ARG 77 1HH2 ARG 77 -3.351 -13.159 -11.092
620 HH22 ARG 77 2HH2 ARG 77 -3.154 -14.644 -10.205
621 H PHE 78 H PHE 78 -4.497 -6.256 -5.356
622 HA PHE 78 HA PHE 78 -2.285 -6.370 -3.541
623 HB2 PHE 78 1HB PHE 78 -3.447 -4.262 -3.952
624 HB3 PHE 78 2HB PHE 78 -4.954 -4.949 -3.364
625 HD1 PHE 78 HD1 PHE 78 -1.557 -3.906 -2.358
626 HD2 PHE 78 HD2 PHE 78 -5.473 -4.957 -1.067
627 HE1 PHE 78 HE1 PHE 78 -1.021 -3.112 -0.092
628 HE2 PHE 78 HE2 PHE 78 -4.942 -4.167 1.201
629 HZ PHE 78 HZ PHE 78 -2.715 -3.242 1.690
630 H VAL 79 H VAL 79 -2.078 -8.195 -2.384
631 HA VAL 79 HA VAL 79 -4.383 -9.562 -1.298
632 HB VAL 79 HB VAL 79 -1.439 -10.113 -0.858
633 HG11 VAL 79 1HG1 VAL 79 -2.177 -12.332 -0.136
634 HG12 VAL 79 2HG1 VAL 79 -3.858 -11.833 -0.318
635 HG13 VAL 79 3HG1 VAL 79 -2.837 -11.064 0.897
636 HG21 VAL 79 3HG2 VAL 79 -3.387 -11.359 -2.797
637 HG22 VAL 79 1HG2 VAL 79 -1.730 -11.896 -2.518
638 HG23 VAL 79 2HG2 VAL 79 -2.035 -10.303 -3.209
639 H GLY 80 H GLY 80 -1.595 -7.740 -0.048
640 HA2 GLY 80 1HA GLY 80 -2.997 -6.340 1.876
641 HA3 GLY 80 2HA GLY 80 -2.473 -7.820 2.665
642 H PHE 81 H PHE 81 -1.689 -5.083 3.245
643 HA PHE 81 HA PHE 81 1.127 -5.058 2.480
644 HB2 PHE 81 1HB PHE 81 -0.168 -2.937 2.382
645 HB3 PHE 81 2HB PHE 81 -0.447 -3.050 4.116
646 HD1 PHE 81 HD2 PHE 81 2.295 -2.890 1.607
647 HD2 PHE 81 HD1 PHE 81 1.038 -2.056 5.585
648 HE1 PHE 81 HE2 PHE 81 4.401 -1.687 2.017
649 HE2 PHE 81 HE1 PHE 81 3.141 -0.853 6.002
650 HZ PHE 81 HZ PHE 81 4.827 -0.667 4.218
651 H VAL 82 H VAL 82 2.745 -5.543 3.864
652 HA VAL 82 HA VAL 82 1.906 -6.614 6.470
653 HB VAL 82 HB VAL 82 4.449 -7.243 4.964
654 HG11 VAL 82 1HG1 VAL 82 4.594 -9.141 6.509
655 HG12 VAL 82 2HG1 VAL 82 3.140 -8.576 7.331
656 HG13 VAL 82 3HG1 VAL 82 4.608 -7.598 7.363
657 HG21 VAL 82 3HG2 VAL 82 2.531 -8.005 3.674
658 HG22 VAL 82 1HG2 VAL 82 1.884 -8.826 5.095
659 HG23 VAL 82 2HG2 VAL 82 3.395 -9.377 4.370
660 H SER 83 H SER 83 2.018 -4.734 7.654
661 HA SER 83 HA SER 83 4.380 -3.129 7.787
662 HB2 SER 83 1HB SER 83 2.164 -3.340 9.839
663 HB3 SER 83 2HB SER 83 3.264 -1.984 9.585
664 HG SER 83 HG SER 83 1.199 -1.630 8.641
665 H ARG 84 H ARG 84 5.853 -3.038 9.579
666 HA ARG 84 HA ARG 84 6.639 -5.608 10.482
667 HB2 ARG 84 1HB ARG 84 7.614 -2.840 11.158
668 HB3 ARG 84 2HB ARG 84 8.309 -4.287 11.877
669 HG2 ARG 84 1HG ARG 84 8.799 -5.117 9.584
670 HG3 ARG 84 2HG ARG 84 8.250 -3.562 8.958
671 HD2 ARG 84 1HD ARG 84 10.455 -3.852 10.985
672 HD3 ARG 84 2HD ARG 84 10.738 -3.809 9.245
673 HE ARG 84 HE ARG 84 9.201 -1.566 9.981
674 HH11 ARG 84 1HH1 ARG 84 12.443 -2.860 10.318
675 HH12 ARG 84 2HH1 ARG 84 13.193 -1.294 10.419
676 HH21 ARG 84 1HH2 ARG 84 10.179 0.483 10.113
677 HH22 ARG 84 2HH2 ARG 84 11.902 0.614 10.309
678 H THR 85 H THR 85 4.617 -3.149 11.816
679 HA THR 85 HA THR 85 3.834 -5.036 13.861
680 HB THR 85 HB THR 85 5.488 -3.837 15.115
681 HG1 THR 85 HG1 THR 85 3.941 -4.083 16.555
682 HG21 THR 85 3HG2 THR 85 5.408 -1.409 15.454
683 HG22 THR 85 1HG2 THR 85 4.088 -1.296 14.290
684 HG23 THR 85 2HG2 THR 85 5.685 -1.827 13.762
685 HA PRO 86 HA PRO 86 0.147 -3.009 12.285
686 HB2 PRO 86 1HB PRO 86 -1.330 -5.212 12.038
687 HB3 PRO 86 2HB PRO 86 0.006 -4.880 10.930
688 HG2 PRO 86 1HG PRO 86 -0.155 -6.819 13.174
689 HG3 PRO 86 2HG PRO 86 0.754 -6.925 11.658
690 HD2 PRO 86 1HD PRO 86 1.739 -6.133 14.204
691 HD3 PRO 86 2HD PRO 86 2.601 -6.078 12.654
692 H ASP 87 H ASP 87 -2.256 -3.370 12.909
693 HA ASP 87 HA ASP 87 -2.520 -2.781 15.702
694 HB2 ASP 87 1HB ASP 87 -3.836 -1.632 13.954
695 HB3 ASP 87 2HB ASP 87 -4.622 -3.152 13.550
696 H ASN 88 H ASN 88 -2.565 -5.600 13.869
697 HA ASN 88 HA ASN 88 -4.562 -7.178 14.941
698 HB2 ASN 88 1HB ASN 88 -1.806 -8.014 14.025
699 HB3 ASN 88 2HB ASN 88 -3.139 -9.121 14.316
700 HD21 ASN 88 2HD2 ASN 88 -3.165 -9.870 12.239
701 HD22 ASN 88 1HD2 ASN 88 -3.716 -8.916 10.897
702 H GLU 89 H GLU 89 -1.318 -6.588 16.183
703 HA GLU 89 HA GLU 89 -1.774 -8.509 18.338
704 HB2 GLU 89 1HB GLU 89 0.713 -7.087 17.391
705 HB3 GLU 89 2HB GLU 89 0.668 -8.136 18.803
706 HG2 GLU 89 1HG GLU 89 -0.041 -8.985 16.006
707 HG3 GLU 89 2HG GLU 89 1.518 -9.255 16.784
708 H LEU 90 H LEU 90 -2.607 -5.464 17.961
709 HA LEU 90 HA LEU 90 -1.838 -4.710 20.700
710 HB2 LEU 90 1HB LEU 90 -2.262 -2.917 18.310
711 HB3 LEU 90 2HB LEU 90 -2.064 -2.340 19.953
712 HG LEU 90 HG LEU 90 0.006 -3.850 18.352
713 HD11 LEU 90 1HD1 LEU 90 -0.317 -1.566 17.577
714 HD12 LEU 90 2HD1 LEU 90 1.230 -1.732 18.407
715 HD13 LEU 90 3HD1 LEU 90 -0.135 -0.970 19.225
716 HD21 LEU 90 3HD2 LEU 90 0.146 -4.373 20.730
717 HD22 LEU 90 1HD2 LEU 90 0.155 -2.652 21.116
718 HD23 LEU 90 2HD2 LEU 90 1.502 -3.363 20.225
719 H GLU 91 H GLU 91 -3.473 -4.503 22.057
720 HA GLU 91 HA GLU 91 -6.178 -4.574 21.020
721 HB2 GLU 91 1HB GLU 91 -5.130 -4.542 23.854
722 HB3 GLU 91 2HB GLU 91 -6.837 -4.601 23.436
723 HG2 GLU 91 1HG GLU 91 -6.269 -6.701 22.114
724 HG3 GLU 91 2HG GLU 91 -4.727 -6.678 22.970
725 H HIS 92 H HIS 92 -7.598 -2.936 21.010
726 HA HIS 92 HA HIS 92 -6.606 -0.298 21.016
727 HB2 HIS 92 1HB HIS 92 -9.478 -1.256 21.110
728 HB3 HIS 92 2HB HIS 92 -8.961 0.382 20.713
729 HD1 HIS 92 HD1 HIS 92 -10.326 -2.163 18.939
730 HD2 HIS 92 HD2 HIS 92 -6.670 -0.226 18.524
731 HE1 HIS 92 HE1 HIS 92 -9.590 -2.597 16.573
732 HE2 HIS 92 HE2 HIS 92 -7.251 -1.661 16.455
733 H HIS 93 H HIS 93 -8.832 -1.936 23.260
734 HA HIS 93 HA HIS 93 -9.249 -1.662 25.484
735 HB2 HIS 93 1HB HIS 93 -6.916 -2.612 25.378
736 HB3 HIS 93 2HB HIS 93 -6.305 -0.981 25.605
737 HD1 HIS 93 HD1 HIS 93 -6.780 -3.897 27.462
738 HD2 HIS 93 HD2 HIS 93 -7.640 0.109 28.190
739 HE1 HIS 93 HE1 HIS 93 -6.999 -3.688 29.956
740 HE2 HIS 93 HE2 HIS 93 -7.318 -1.229 30.380
741 H HIS 94 H HIS 94 -6.658 0.619 25.807
742 HA HIS 94 HA HIS 94 -8.280 2.987 25.675
743 HB2 HIS 94 1HB HIS 94 -7.484 1.803 28.310
744 HB3 HIS 94 2HB HIS 94 -7.416 3.549 28.126
745 HD1 HIS 94 HD1 HIS 94 -9.500 1.365 29.675
746 HD2 HIS 94 HD2 HIS 94 -10.213 4.170 26.685
747 HE1 HIS 94 HE1 HIS 94 -11.957 1.884 29.800
748 HE2 HIS 94 HE2 HIS 94 -12.334 3.698 28.093
749 H HIS 95 H HIS 95 -6.983 4.741 25.262
750 HA HIS 95 HA HIS 95 -4.099 4.187 25.274
751 HB2 HIS 95 1HB HIS 95 -5.748 6.130 23.659
752 HB3 HIS 95 2HB HIS 95 -3.987 6.186 23.710
753 HD1 HIS 95 HD1 HIS 95 -6.134 5.310 21.310
754 HD2 HIS 95 HD2 HIS 95 -3.382 2.989 23.391
755 HE1 HIS 95 HE1 HIS 95 -5.690 3.315 19.851
756 HE2 HIS 95 HE2 HIS 95 -4.175 1.831 21.218
757 H HIS 96 H HIS 96 -3.011 4.949 26.885
758 HA HIS 96 HA HIS 96 -4.078 6.841 28.727
759 HB2 HIS 96 1HB HIS 96 -1.300 5.685 28.439
760 HB3 HIS 96 2HB HIS 96 -1.789 6.737 29.761
761 HD1 HIS 96 HD1 HIS 96 -1.374 3.301 29.017
762 HD2 HIS 96 HD2 HIS 96 -4.194 5.495 31.147
763 HE1 HIS 96 HE1 HIS 96 -2.486 1.661 30.559
764 HE2 HIS 96 HE2 HIS 96 -4.039 3.045 31.975
765 H HIS 97 H HIS 97 -3.970 8.969 28.725
766 HA HIS 97 HA HIS 97 -1.770 10.264 27.268
767 HB2 HIS 97 1HB HIS 97 -4.677 11.099 27.352
768 HB3 HIS 97 2HB HIS 97 -3.383 12.183 26.854
769 HD1 HIS 97 HD1 HIS 97 -5.708 9.739 25.545
770 HD2 HIS 97 HD2 HIS 97 -1.930 11.132 24.504
771 HE1 HIS 97 HE1 HIS 97 -5.373 9.068 23.143
772 HE2 HIS 97 HE2 HIS 97 -3.002 9.739 22.609
Start of MODEL 14
1 H1 MET 1 1H MET 1 10.836 -16.149 -4.932
2 H2 MET 1 2H MET 1 12.201 -16.555 -5.848
3 H3 MET 1 3H MET 1 11.521 -17.696 -4.789
4 HA MET 1 HA MET 1 10.270 -16.587 -7.230
5 HB2 MET 1 1HB MET 1 11.466 -19.271 -6.562
6 HB3 MET 1 2HB MET 1 10.320 -19.064 -7.880
7 HG2 MET 1 1HG MET 1 12.984 -17.695 -7.607
8 HG3 MET 1 2HG MET 1 12.595 -19.023 -8.700
9 HE1 MET 1 3HE MET 1 9.641 -18.205 -9.631
10 HE2 MET 1 1HE MET 1 10.880 -18.809 -10.730
11 HE3 MET 1 2HE MET 1 10.004 -17.329 -11.117
12 H ALA 2 H ALA 2 8.217 -16.231 -6.813
13 HA ALA 2 HA ALA 2 6.487 -18.363 -6.051
14 HB1 ALA 2 3HB ALA 2 5.558 -17.341 -4.026
15 HB2 ALA 2 1HB ALA 2 6.769 -16.061 -4.111
16 HB3 ALA 2 2HB ALA 2 7.266 -17.727 -3.812
17 HA PRO 3 HA PRO 3 3.728 -15.821 -8.470
18 HB2 PRO 3 1HB PRO 3 1.543 -16.880 -6.777
19 HB3 PRO 3 2HB PRO 3 1.759 -16.986 -8.526
20 HG2 PRO 3 1HG PRO 3 2.112 -19.123 -6.966
21 HG3 PRO 3 2HG PRO 3 3.147 -18.833 -8.378
22 HD2 PRO 3 1HD PRO 3 3.723 -18.363 -5.476
23 HD3 PRO 3 2HD PRO 3 4.781 -19.021 -6.741
24 H LEU 4 H LEU 4 3.764 -15.799 -5.008
25 HA LEU 4 HA LEU 4 2.311 -13.294 -4.810
26 HB2 LEU 4 1HB LEU 4 2.270 -15.210 -3.090
27 HB3 LEU 4 2HB LEU 4 3.864 -14.653 -2.622
28 HG LEU 4 HG LEU 4 2.952 -12.487 -1.987
29 HD11 LEU 4 1HD1 LEU 4 0.290 -13.684 -2.744
30 HD12 LEU 4 2HD1 LEU 4 1.117 -12.374 -3.589
31 HD13 LEU 4 3HD1 LEU 4 0.534 -12.133 -1.942
32 HD21 LEU 4 3HD2 LEU 4 1.675 -13.248 -0.041
33 HD22 LEU 4 1HD2 LEU 4 3.077 -14.278 -0.334
34 HD23 LEU 4 2HD2 LEU 4 1.467 -14.829 -0.798
35 H GLN 5 H GLN 5 3.428 -11.605 -5.589
36 HA GLN 5 HA GLN 5 6.306 -11.520 -5.430
37 HB2 GLN 5 1HB GLN 5 4.364 -9.428 -6.437
38 HB3 GLN 5 2HB GLN 5 6.102 -9.448 -6.706
39 HG2 GLN 5 1HG GLN 5 5.882 -11.532 -7.969
40 HG3 GLN 5 2HG GLN 5 4.141 -11.499 -7.710
41 HE21 GLN 5 2HE2 GLN 5 5.647 -11.500 -10.184
42 HE22 GLN 5 1HE2 GLN 5 5.162 -10.083 -11.048
43 H GLN 6 H GLN 6 7.411 -10.701 -3.789
44 HA GLN 6 HA GLN 6 6.151 -8.693 -2.063
45 HB2 GLN 6 1HB GLN 6 7.507 -11.213 -1.096
46 HB3 GLN 6 2HB GLN 6 7.005 -9.883 -0.065
47 HG2 GLN 6 1HG GLN 6 4.674 -10.286 -0.731
48 HG3 GLN 6 2HG GLN 6 5.208 -11.665 -1.694
49 HE21 GLN 6 2HE2 GLN 6 3.394 -11.583 0.594
50 HE22 GLN 6 1HE2 GLN 6 4.085 -12.630 1.784
51 H LYS 7 H LYS 7 7.489 -7.202 -1.225
52 HA LYS 7 HA LYS 7 10.204 -7.715 -0.583
53 HB2 LYS 7 1HB LYS 7 10.402 -7.238 -3.068
54 HB3 LYS 7 2HB LYS 7 9.794 -5.621 -2.736
55 HG2 LYS 7 1HG LYS 7 11.705 -5.294 -1.173
56 HG3 LYS 7 2HG LYS 7 12.339 -6.851 -1.697
57 HD2 LYS 7 1HD LYS 7 12.473 -5.986 -3.997
58 HD3 LYS 7 2HD LYS 7 11.881 -4.424 -3.426
59 HE2 LYS 7 1HE LYS 7 14.453 -5.797 -2.651
60 HE3 LYS 7 2HE LYS 7 14.280 -4.325 -3.605
61 HZ1 LYS 7 3HZ LYS 7 13.799 -4.699 -0.702
62 HZ2 LYS 7 1HZ LYS 7 13.173 -3.368 -1.547
63 HZ3 LYS 7 2HZ LYS 7 14.844 -3.607 -1.470
64 H GLN 8 H GLN 8 11.165 -5.736 0.468
65 HA GLN 8 HA GLN 8 9.178 -4.310 1.946
66 HB2 GLN 8 1HB GLN 8 11.379 -5.008 2.887
67 HB3 GLN 8 2HB GLN 8 12.168 -3.857 1.821
68 HG2 GLN 8 1HG GLN 8 11.157 -2.014 2.940
69 HG3 GLN 8 2HG GLN 8 10.118 -3.087 3.878
70 HE21 GLN 8 2HE2 GLN 8 10.850 -2.333 5.844
71 HE22 GLN 8 1HE2 GLN 8 12.431 -2.698 6.442
72 H VAL 9 H VAL 9 8.172 -2.552 1.310
73 HA VAL 9 HA VAL 9 9.408 -0.846 -0.757
74 HB VAL 9 HB VAL 9 7.084 -0.308 -1.506
75 HG11 VAL 9 1HG1 VAL 9 7.888 -3.213 -1.694
76 HG12 VAL 9 2HG1 VAL 9 8.450 -1.907 -2.739
77 HG13 VAL 9 3HG1 VAL 9 6.754 -2.390 -2.765
78 HG21 VAL 9 3HG2 VAL 9 6.336 -2.629 0.272
79 HG22 VAL 9 1HG2 VAL 9 5.265 -1.828 -0.878
80 HG23 VAL 9 2HG2 VAL 9 5.885 -0.941 0.514
81 H VAL 10 H VAL 10 8.049 1.315 -0.836
82 HA VAL 10 HA VAL 10 7.957 2.345 1.926
83 HB VAL 10 HB VAL 10 8.436 3.933 -0.599
84 HG11 VAL 10 1HG1 VAL 10 8.783 4.645 2.312
85 HG12 VAL 10 2HG1 VAL 10 7.519 5.238 1.233
86 HG13 VAL 10 3HG1 VAL 10 9.203 5.679 0.946
87 HG21 VAL 10 3HG2 VAL 10 10.471 2.949 1.400
88 HG22 VAL 10 1HG2 VAL 10 10.791 4.019 0.035
89 HG23 VAL 10 2HG2 VAL 10 10.274 2.356 -0.248
90 H VAL 11 H VAL 11 5.904 2.703 2.596
91 HA VAL 11 HA VAL 11 3.792 3.453 0.795
92 HB VAL 11 HB VAL 11 3.880 3.791 3.804
93 HG11 VAL 11 1HG1 VAL 11 2.096 5.049 2.738
94 HG12 VAL 11 2HG1 VAL 11 1.430 3.682 3.633
95 HG13 VAL 11 3HG1 VAL 11 1.564 3.604 1.877
96 HG21 VAL 11 3HG2 VAL 11 2.915 1.434 2.181
97 HG22 VAL 11 1HG2 VAL 11 2.754 1.618 3.929
98 HG23 VAL 11 2HG2 VAL 11 4.354 1.475 3.199
99 H SER 12 H SER 12 4.148 5.321 -0.297
100 HA SER 12 HA SER 12 5.905 7.285 0.891
101 HB2 SER 12 1HB SER 12 5.715 8.280 -1.474
102 HB3 SER 12 2HB SER 12 6.501 6.711 -1.298
103 HG SER 12 HG SER 12 4.834 6.954 -3.013
104 H ASN 13 H ASN 13 2.540 7.188 -0.231
105 HA ASN 13 HA ASN 13 1.932 9.593 1.215
106 HB2 ASN 13 1HB ASN 13 3.064 10.462 -0.850
107 HB3 ASN 13 2HB ASN 13 1.793 9.716 -1.808
108 HD21 ASN 13 2HD2 ASN 13 1.113 11.645 -2.663
109 HD22 ASN 13 1HD2 ASN 13 0.269 12.840 -1.732
110 H LYS 14 H LYS 14 -0.381 10.322 0.661
111 HA LYS 14 HA LYS 14 -2.053 7.999 -0.038
112 HB2 LYS 14 1HB LYS 14 -3.692 8.878 1.652
113 HB3 LYS 14 2HB LYS 14 -2.196 8.262 2.343
114 HG2 LYS 14 1HG LYS 14 -1.357 10.586 2.490
115 HG3 LYS 14 2HG LYS 14 -2.927 11.152 1.916
116 HD2 LYS 14 1HD LYS 14 -4.016 10.195 3.852
117 HD3 LYS 14 2HD LYS 14 -2.487 9.506 4.405
118 HE2 LYS 14 1HE LYS 14 -1.570 11.792 4.592
119 HE3 LYS 14 2HE LYS 14 -3.145 12.437 4.130
120 HZ1 LYS 14 3HZ LYS 14 -4.115 11.506 6.093
121 HZ2 LYS 14 1HZ LYS 14 -2.755 12.414 6.552
122 HZ3 LYS 14 2HZ LYS 14 -2.670 10.720 6.502
123 H ARG 15 H ARG 15 -3.873 8.435 -1.285
124 HA ARG 15 HA ARG 15 -4.383 11.213 -2.033
125 HB2 ARG 15 1HB ARG 15 -3.522 9.069 -3.970
126 HB3 ARG 15 2HB ARG 15 -4.401 10.500 -4.484
127 HG2 ARG 15 1HG ARG 15 -2.588 11.895 -3.528
128 HG3 ARG 15 2HG ARG 15 -1.694 10.418 -3.171
129 HD2 ARG 15 1HD ARG 15 -1.570 9.862 -5.502
130 HD3 ARG 15 2HD ARG 15 -2.636 11.201 -5.924
131 HE ARG 15 HE ARG 15 0.076 11.565 -4.805
132 HH11 ARG 15 1HH1 ARG 15 -2.472 12.421 -7.040
133 HH12 ARG 15 2HH1 ARG 15 -1.635 13.808 -7.671
134 HH21 ARG 15 1HH2 ARG 15 1.210 13.371 -5.654
135 HH22 ARG 15 2HH2 ARG 15 0.469 14.328 -6.909
136 H GLU 16 H GLU 16 -6.177 11.079 -3.908
137 HA GLU 16 HA GLU 16 -8.134 8.998 -3.326
138 HB2 GLU 16 1HB GLU 16 -8.689 10.814 -1.766
139 HB3 GLU 16 2HB GLU 16 -8.721 11.960 -3.099
140 HG2 GLU 16 1HG GLU 16 -10.559 10.535 -4.097
141 HG3 GLU 16 2HG GLU 16 -10.627 9.711 -2.541
142 H LYS 17 H LYS 17 -8.734 8.224 -5.245
143 HA LYS 17 HA LYS 17 -8.947 10.101 -7.505
144 HB2 LYS 17 1HB LYS 17 -8.559 7.100 -7.563
145 HB3 LYS 17 2HB LYS 17 -8.686 8.142 -8.973
146 HG2 LYS 17 1HG LYS 17 -6.628 9.263 -8.380
147 HG3 LYS 17 2HG LYS 17 -6.520 8.325 -6.889
148 HD2 LYS 17 1HD LYS 17 -6.496 6.257 -8.350
149 HD3 LYS 17 2HD LYS 17 -6.267 7.344 -9.722
150 HE2 LYS 17 1HE LYS 17 -4.204 8.153 -8.821
151 HE3 LYS 17 2HE LYS 17 -4.471 7.296 -7.303
152 HZ1 LYS 17 3HZ LYS 17 -2.949 6.013 -8.520
153 HZ2 LYS 17 1HZ LYS 17 -3.844 6.136 -9.958
154 HZ3 LYS 17 2HZ LYS 17 -4.431 5.204 -8.667
155 HA PRO 18 HA PRO 18 -13.325 9.405 -7.402
156 HB2 PRO 18 1HB PRO 18 -13.381 10.139 -10.235
157 HB3 PRO 18 2HB PRO 18 -14.060 10.993 -8.847
158 HG2 PRO 18 1HG PRO 18 -11.924 11.922 -10.210
159 HG3 PRO 18 2HG PRO 18 -12.133 12.187 -8.468
160 HD2 PRO 18 1HD PRO 18 -10.408 10.191 -9.890
161 HD3 PRO 18 2HD PRO 18 -10.047 11.172 -8.453
162 H VAL 19 H VAL 19 -13.891 7.312 -7.335
163 HA VAL 19 HA VAL 19 -13.146 5.422 -9.344
164 HB VAL 19 HB VAL 19 -15.168 5.121 -7.116
165 HG11 VAL 19 1HG1 VAL 19 -13.747 3.045 -8.782
166 HG12 VAL 19 2HG1 VAL 19 -15.463 3.449 -8.857
167 HG13 VAL 19 3HG1 VAL 19 -14.792 2.712 -7.401
168 HG21 VAL 19 3HG2 VAL 19 -12.972 5.692 -6.241
169 HG22 VAL 19 1HG2 VAL 19 -12.238 4.405 -7.198
170 HG23 VAL 19 2HG2 VAL 19 -13.356 4.007 -5.893
171 H ASN 20 H ASN 20 -14.102 5.152 -11.227
172 HA ASN 20 HA ASN 20 -16.692 6.327 -11.765
173 HB2 ASN 20 1HB ASN 20 -14.866 6.522 -13.412
174 HB3 ASN 20 2HB ASN 20 -14.835 4.768 -13.578
175 HD21 ASN 20 2HD2 ASN 20 -15.326 4.769 -15.727
176 HD22 ASN 20 1HD2 ASN 20 -16.880 5.227 -16.346
177 H ASP 21 H ASP 21 -15.252 3.076 -12.104
178 HA ASP 21 HA ASP 21 -17.736 1.785 -12.578
179 HB2 ASP 21 1HB ASP 21 -15.095 0.635 -11.645
180 HB3 ASP 21 2HB ASP 21 -16.477 -0.321 -12.167
181 H ARG 22 H ARG 22 -19.214 2.229 -11.024
182 HA ARG 22 HA ARG 22 -18.560 1.381 -8.280
183 HB2 ARG 22 1HB ARG 22 -20.504 3.532 -9.148
184 HB3 ARG 22 2HB ARG 22 -20.189 3.042 -7.488
185 HG2 ARG 22 1HG ARG 22 -17.915 3.835 -7.643
186 HG3 ARG 22 2HG ARG 22 -18.142 4.230 -9.347
187 HD2 ARG 22 1HD ARG 22 -19.541 5.495 -6.995
188 HD3 ARG 22 2HD ARG 22 -18.309 6.237 -8.013
189 HE ARG 22 HE ARG 22 -21.091 5.695 -8.754
190 HH11 ARG 22 1HH1 ARG 22 -17.955 7.000 -9.614
191 HH12 ARG 22 2HH1 ARG 22 -18.575 7.946 -10.928
192 HH21 ARG 22 1HH2 ARG 22 -21.906 6.935 -10.471
193 HH22 ARG 22 2HH2 ARG 22 -20.832 7.901 -11.430
194 H ARG 23 H ARG 23 -20.522 0.770 -7.012
195 HA ARG 23 HA ARG 23 -22.136 -1.090 -8.560
196 HB2 ARG 23 1HB ARG 23 -21.819 -0.644 -5.586
197 HB3 ARG 23 2HB ARG 23 -22.881 -1.858 -6.285
198 HG2 ARG 23 1HG ARG 23 -21.065 -3.084 -7.162
199 HG3 ARG 23 2HG ARG 23 -19.934 -1.765 -6.857
200 HD2 ARG 23 1HD ARG 23 -19.702 -3.581 -5.221
201 HD3 ARG 23 2HD ARG 23 -20.179 -2.060 -4.470
202 HE ARG 23 HE ARG 23 -22.475 -3.605 -5.069
203 HH11 ARG 23 1HH1 ARG 23 -19.740 -3.529 -2.868
204 HH12 ARG 23 2HH1 ARG 23 -20.607 -4.307 -1.574
205 HH21 ARG 23 1HH2 ARG 23 -23.595 -4.629 -3.394
206 HH22 ARG 23 2HH2 ARG 23 -22.810 -4.943 -1.875
207 H SER 24 H SER 24 -22.416 2.004 -8.180
208 HA SER 24 HA SER 24 -25.331 1.955 -7.812
209 HB2 SER 24 1HB SER 24 -24.037 2.930 -5.830
210 HB3 SER 24 2HB SER 24 -23.569 4.244 -6.907
211 HG SER 24 HG SER 24 -25.624 4.950 -6.986
212 H ARG 25 H ARG 25 -23.855 1.718 -10.204
213 HA ARG 25 HA ARG 25 -23.967 2.427 -12.354
214 HB2 ARG 25 1HB ARG 25 -25.688 4.625 -11.203
215 HB3 ARG 25 2HB ARG 25 -25.393 4.404 -12.922
216 HG2 ARG 25 1HG ARG 25 -26.637 2.458 -13.021
217 HG3 ARG 25 2HG ARG 25 -26.490 2.156 -11.287
218 HD2 ARG 25 1HD ARG 25 -28.059 4.414 -12.529
219 HD3 ARG 25 2HD ARG 25 -28.754 2.899 -11.945
220 HE ARG 25 HE ARG 25 -27.523 3.702 -9.754
221 HH11 ARG 25 1HH1 ARG 25 -29.477 5.534 -12.000
222 HH12 ARG 25 2HH1 ARG 25 -29.972 6.705 -10.818
223 HH21 ARG 25 1HH2 ARG 25 -28.159 5.242 -8.193
224 HH22 ARG 25 2HH2 ARG 25 -29.228 6.534 -8.642
225 H GLN 26 H GLN 26 -23.203 4.178 -13.821
226 HA GLN 26 HA GLN 26 -20.934 5.528 -12.531
227 HB2 GLN 26 1HB GLN 26 -21.421 4.829 -15.432
228 HB3 GLN 26 2HB GLN 26 -19.994 5.656 -14.824
229 HG2 GLN 26 1HG GLN 26 -19.444 3.693 -13.470
230 HG3 GLN 26 2HG GLN 26 -20.865 2.866 -14.108
231 HE21 GLN 26 2HE2 GLN 26 -18.023 2.190 -14.291
232 HE22 GLN 26 1HE2 GLN 26 -17.675 2.055 -15.978
233 H GLN 27 H GLN 27 -23.587 6.062 -14.803
234 HA GLN 27 HA GLN 27 -22.985 8.855 -15.094
235 HB2 GLN 27 1HB GLN 27 -24.034 7.651 -16.930
236 HB3 GLN 27 2HB GLN 27 -25.410 7.247 -15.916
237 HG2 GLN 27 1HG GLN 27 -25.814 9.084 -17.546
238 HG3 GLN 27 2HG GLN 27 -26.145 9.506 -15.869
239 HE21 GLN 27 2HE2 GLN 27 -24.971 11.079 -14.884
240 HE22 GLN 27 1HE2 GLN 27 -23.802 12.065 -15.703
241 H GLU 28 H GLU 28 -22.993 9.741 -13.094
242 HA GLU 28 HA GLU 28 -25.634 10.325 -12.001
243 HB2 GLU 28 1HB GLU 28 -23.313 9.180 -10.456
244 HB3 GLU 28 2HB GLU 28 -24.536 10.164 -9.666
245 HG2 GLU 28 1HG GLU 28 -25.182 7.691 -11.245
246 HG3 GLU 28 2HG GLU 28 -24.857 7.681 -9.511
247 H VAL 29 H VAL 29 -25.701 12.328 -10.843
248 HA VAL 29 HA VAL 29 -24.043 14.348 -11.887
249 HB VAL 29 HB VAL 29 -25.781 14.446 -9.413
250 HG11 VAL 29 1HG1 VAL 29 -25.761 16.875 -9.721
251 HG12 VAL 29 2HG1 VAL 29 -24.621 16.696 -11.055
252 HG13 VAL 29 3HG1 VAL 29 -24.140 16.250 -9.418
253 HG21 VAL 29 3HG2 VAL 29 -27.034 13.863 -11.419
254 HG22 VAL 29 1HG2 VAL 29 -26.355 15.257 -12.262
255 HG23 VAL 29 2HG2 VAL 29 -27.433 15.498 -10.888
256 H SER 30 H SER 30 -23.937 12.574 -8.853
257 HA SER 30 HA SER 30 -21.557 14.002 -8.001
258 HB2 SER 30 1HB SER 30 -21.747 12.363 -6.034
259 HB3 SER 30 2HB SER 30 -23.044 13.542 -6.216
260 HG SER 30 HG SER 30 -23.099 10.794 -6.453
261 HA PRO 31 HA PRO 31 -19.340 10.714 -10.123
262 HB2 PRO 31 1HB PRO 31 -17.217 12.219 -10.842
263 HB3 PRO 31 2HB PRO 31 -18.771 12.311 -11.673
264 HG2 PRO 31 1HG PRO 31 -17.502 14.249 -9.863
265 HG3 PRO 31 2HG PRO 31 -18.773 14.501 -11.069
266 HD2 PRO 31 1HD PRO 31 -19.048 14.189 -8.220
267 HD3 PRO 31 2HD PRO 31 -20.315 14.494 -9.422
268 H ALA 32 H ALA 32 -18.786 12.093 -7.179
269 HA ALA 32 HA ALA 32 -16.315 10.543 -6.790
270 HB1 ALA 32 3HB ALA 32 -15.881 12.953 -6.681
271 HB2 ALA 32 1HB ALA 32 -15.596 12.165 -5.130
272 HB3 ALA 32 2HB ALA 32 -17.068 13.102 -5.385
273 H GLY 33 H GLY 33 -18.562 12.173 -4.550
274 HA2 GLY 33 1HA GLY 33 -20.106 11.066 -3.121
275 HA3 GLY 33 2HA GLY 33 -19.267 9.552 -3.432
276 H THR 34 H THR 34 -19.607 9.618 -0.970
277 HA THR 34 HA THR 34 -18.202 11.332 0.712
278 HB THR 34 HB THR 34 -18.659 8.415 1.316
279 HG1 THR 34 HG1 THR 34 -20.518 10.570 1.133
280 HG21 THR 34 3HG2 THR 34 -19.080 9.266 3.582
281 HG22 THR 34 1HG2 THR 34 -18.783 10.911 3.019
282 HG23 THR 34 2HG2 THR 34 -17.475 9.729 3.015
283 H SER 35 H SER 35 -16.144 11.394 1.494
284 HA SER 35 HA SER 35 -14.153 9.836 0.088
285 HB2 SER 35 1HB SER 35 -13.900 12.072 2.111
286 HB3 SER 35 2HB SER 35 -12.536 11.307 1.294
287 HG SER 35 HG SER 35 -13.101 12.207 -0.578
288 H MET 36 H MET 36 -15.357 7.971 1.345
289 HA MET 36 HA MET 36 -13.813 7.397 3.781
290 HB2 MET 36 1HB MET 36 -16.239 6.037 2.591
291 HB3 MET 36 2HB MET 36 -15.361 5.421 3.983
292 HG2 MET 36 1HG MET 36 -16.747 8.088 3.828
293 HG3 MET 36 2HG MET 36 -17.375 6.645 4.624
294 HE1 MET 36 3HE MET 36 -14.864 6.164 7.579
295 HE2 MET 36 1HE MET 36 -14.805 5.410 5.986
296 HE3 MET 36 2HE MET 36 -16.348 5.590 6.819
297 H ARG 37 H ARG 37 -13.552 7.149 0.593
298 HA ARG 37 HA ARG 37 -12.191 4.552 0.649
299 HB2 ARG 37 1HB ARG 37 -12.524 4.893 -1.978
300 HB3 ARG 37 2HB ARG 37 -13.750 4.145 -0.969
301 HG2 ARG 37 1HG ARG 37 -14.968 5.640 -2.249
302 HG3 ARG 37 2HG ARG 37 -14.714 6.531 -0.749
303 HD2 ARG 37 1HD ARG 37 -12.651 7.509 -1.922
304 HD3 ARG 37 2HD ARG 37 -13.367 6.889 -3.406
305 HE ARG 37 HE ARG 37 -15.202 8.481 -1.890
306 HH11 ARG 37 1HH1 ARG 37 -12.603 8.565 -4.235
307 HH12 ARG 37 2HH1 ARG 37 -12.979 10.170 -4.791
308 HH21 ARG 37 1HH2 ARG 37 -15.700 10.610 -2.621
309 HH22 ARG 37 2HH2 ARG 37 -14.725 11.325 -3.864
310 H TYR 38 H TYR 38 -10.188 5.217 1.251
311 HA TYR 38 HA TYR 38 -8.943 7.436 -0.195
312 HB2 TYR 38 1HB TYR 38 -7.790 5.883 2.131
313 HB3 TYR 38 2HB TYR 38 -7.291 7.463 1.540
314 HD1 TYR 38 HD2 TYR 38 -8.857 9.424 1.854
315 HD2 TYR 38 HD1 TYR 38 -9.477 5.667 3.753
316 HE1 TYR 38 HE2 TYR 38 -10.371 10.494 3.469
317 HE2 TYR 38 HE1 TYR 38 -10.994 6.725 5.370
318 HH TYR 38 HH TYR 38 -12.277 9.798 4.932
319 H GLU 39 H GLU 39 -6.609 7.089 -0.825
320 HA GLU 39 HA GLU 39 -6.015 4.275 -1.403
321 HB2 GLU 39 1HB GLU 39 -5.615 6.571 -3.328
322 HB3 GLU 39 2HB GLU 39 -5.032 4.932 -3.571
323 HG2 GLU 39 1HG GLU 39 -7.516 4.270 -3.311
324 HG3 GLU 39 2HG GLU 39 -7.822 5.974 -3.661
325 H ALA 40 H ALA 40 -3.825 3.743 -1.453
326 HA ALA 40 HA ALA 40 -2.050 5.799 -0.305
327 HB1 ALA 40 3HB ALA 40 -0.882 4.022 0.886
328 HB2 ALA 40 1HB ALA 40 -1.985 2.825 0.206
329 HB3 ALA 40 2HB ALA 40 -2.592 4.049 1.321
330 H SER 41 H SER 41 -0.048 6.027 -1.155
331 HA SER 41 HA SER 41 0.406 4.711 -3.724
332 HB2 SER 41 1HB SER 41 0.510 7.224 -3.500
333 HB3 SER 41 2HB SER 41 1.932 7.017 -2.479
334 HG SER 41 HG SER 41 3.099 6.706 -4.203
335 H PHE 42 H PHE 42 1.672 2.995 -3.785
336 HA PHE 42 HA PHE 42 3.690 2.639 -1.678
337 HB2 PHE 42 1HB PHE 42 2.448 0.660 -3.604
338 HB3 PHE 42 2HB PHE 42 3.751 0.265 -2.487
339 HD1 PHE 42 HD2 PHE 42 0.203 1.153 -2.774
340 HD2 PHE 42 HD1 PHE 42 3.338 -0.014 -0.146
341 HE1 PHE 42 HE2 PHE 42 -1.454 0.667 -1.020
342 HE2 PHE 42 HE1 PHE 42 1.688 -0.502 1.612
343 HZ PHE 42 HZ PHE 42 -0.711 -0.160 1.177
344 H LYS 43 H LYS 43 5.629 3.257 -2.165
345 HA LYS 43 HA LYS 43 6.439 3.487 -4.963
346 HB2 LYS 43 1HB LYS 43 6.691 5.394 -3.322
347 HB3 LYS 43 2HB LYS 43 7.905 4.430 -2.495
348 HG2 LYS 43 1HG LYS 43 9.210 4.369 -4.610
349 HG3 LYS 43 2HG LYS 43 8.032 5.482 -5.310
350 HD2 LYS 43 1HD LYS 43 8.536 7.030 -3.380
351 HD3 LYS 43 2HD LYS 43 9.891 5.968 -2.992
352 HE2 LYS 43 1HE LYS 43 9.458 7.524 -5.535
353 HE3 LYS 43 2HE LYS 43 10.698 7.800 -4.315
354 HZ1 LYS 43 3HZ LYS 43 10.476 5.410 -6.066
355 HZ2 LYS 43 1HZ LYS 43 11.655 5.637 -4.866
356 HZ3 LYS 43 2HZ LYS 43 11.610 6.658 -6.217
357 HA PRO 44 HA PRO 44 8.725 -0.320 -4.289
358 HB2 PRO 44 1HB PRO 44 9.434 -0.112 -7.104
359 HB3 PRO 44 2HB PRO 44 8.420 -1.316 -6.303
360 HG2 PRO 44 1HG PRO 44 7.435 0.537 -8.032
361 HG3 PRO 44 2HG PRO 44 6.491 -0.147 -6.697
362 HD2 PRO 44 1HD PRO 44 7.891 2.494 -6.871
363 HD3 PRO 44 2HD PRO 44 6.305 2.099 -6.171
364 H LEU 45 H LEU 45 10.856 -0.668 -3.872
365 HA LEU 45 HA LEU 45 12.736 1.463 -4.200
366 HB2 LEU 45 1HB LEU 45 13.171 -1.412 -3.370
367 HB3 LEU 45 2HB LEU 45 14.372 -0.137 -3.262
368 HG LEU 45 HG LEU 45 11.760 -0.227 -1.747
369 HD11 LEU 45 1HD1 LEU 45 14.596 -0.590 -0.798
370 HD12 LEU 45 2HD1 LEU 45 13.375 -1.855 -0.931
371 HD13 LEU 45 3HD1 LEU 45 13.158 -0.539 0.222
372 HD21 LEU 45 3HD2 LEU 45 14.025 1.761 -1.632
373 HD22 LEU 45 1HD2 LEU 45 12.631 1.723 -0.550
374 HD23 LEU 45 2HD2 LEU 45 12.407 2.058 -2.268
375 H ASN 46 H ASN 46 11.658 -1.116 -6.107
376 HA ASN 46 HA ASN 46 13.884 -1.046 -7.950
377 HB2 ASN 46 1HB ASN 46 12.343 -3.062 -7.600
378 HB3 ASN 46 2HB ASN 46 11.106 -2.148 -8.455
379 HD21 ASN 46 2HD2 ASN 46 12.321 -4.668 -9.185
380 HD22 ASN 46 1HD2 ASN 46 13.062 -4.433 -10.732
381 H GLY 47 H GLY 47 14.170 0.814 -8.974
382 HA2 GLY 47 1HA GLY 47 12.596 3.007 -9.071
383 HA3 GLY 47 2HA GLY 47 13.785 2.646 -10.306
384 H GLY 48 H GLY 48 10.537 3.121 -9.616
385 HA2 GLY 48 1HA GLY 48 9.781 2.902 -12.363
386 HA3 GLY 48 2HA GLY 48 9.114 1.593 -11.397
387 H LEU 49 H LEU 49 7.033 2.512 -12.009
388 HA LEU 49 HA LEU 49 6.353 5.107 -10.904
389 HB2 LEU 49 1HB LEU 49 5.476 4.387 -13.097
390 HB3 LEU 49 2HB LEU 49 4.635 3.063 -12.315
391 HG LEU 49 HG LEU 49 3.279 4.715 -11.047
392 HD11 LEU 49 1HD1 LEU 49 4.648 6.721 -12.831
393 HD12 LEU 49 2HD1 LEU 49 4.847 6.578 -11.086
394 HD13 LEU 49 3HD1 LEU 49 3.287 7.049 -11.759
395 HD21 LEU 49 3HD2 LEU 49 2.423 3.726 -13.099
396 HD22 LEU 49 1HD2 LEU 49 3.197 4.993 -14.048
397 HD23 LEU 49 2HD2 LEU 49 1.886 5.397 -12.938
398 H GLU 50 H GLU 50 5.003 5.479 -9.199
399 HA GLU 50 HA GLU 50 4.785 3.472 -7.185
400 HB2 GLU 50 1HB GLU 50 3.536 6.217 -7.390
401 HB3 GLU 50 2HB GLU 50 3.519 5.212 -5.950
402 HG2 GLU 50 1HG GLU 50 5.890 5.373 -5.729
403 HG3 GLU 50 2HG GLU 50 6.027 6.187 -7.288
404 H LYS 51 H LYS 51 3.021 2.295 -6.553
405 HA LYS 51 HA LYS 51 0.706 2.398 -8.358
406 HB2 LYS 51 1HB LYS 51 1.736 0.218 -6.543
407 HB3 LYS 51 2HB LYS 51 0.151 0.151 -7.301
408 HG2 LYS 51 1HG LYS 51 1.320 0.391 -9.517
409 HG3 LYS 51 2HG LYS 51 2.838 0.151 -8.645
410 HD2 LYS 51 1HD LYS 51 2.154 -2.029 -7.922
411 HD3 LYS 51 2HD LYS 51 0.522 -1.779 -8.544
412 HE2 LYS 51 1HE LYS 51 1.625 -3.158 -10.113
413 HE3 LYS 51 2HE LYS 51 1.555 -1.552 -10.831
414 HZ1 LYS 51 3HZ LYS 51 3.893 -2.915 -9.626
415 HZ2 LYS 51 1HZ LYS 51 3.881 -1.245 -9.935
416 HZ3 LYS 51 2HZ LYS 51 3.710 -2.343 -11.212
417 H THR 52 H THR 52 -1.174 3.158 -7.665
418 HA THR 52 HA THR 52 -1.433 3.822 -4.820
419 HB THR 52 HB THR 52 -3.506 4.690 -6.762
420 HG1 THR 52 HG1 THR 52 -0.779 5.347 -6.972
421 HG21 THR 52 3HG2 THR 52 -3.446 5.372 -4.365
422 HG22 THR 52 1HG2 THR 52 -3.412 6.733 -5.486
423 HG23 THR 52 2HG2 THR 52 -1.930 6.210 -4.686
424 H PHE 53 H PHE 53 -2.413 2.288 -3.644
425 HA PHE 53 HA PHE 53 -4.536 0.693 -4.906
426 HB2 PHE 53 1HB PHE 53 -2.790 0.142 -2.505
427 HB3 PHE 53 2HB PHE 53 -4.194 -0.839 -2.916
428 HD1 PHE 53 HD1 PHE 53 -4.230 -1.955 -5.201
429 HD2 PHE 53 HD2 PHE 53 -0.718 -0.277 -3.485
430 HE1 PHE 53 HE1 PHE 53 -2.848 -3.319 -6.713
431 HE2 PHE 53 HE2 PHE 53 0.671 -1.636 -4.994
432 HZ PHE 53 HZ PHE 53 -0.393 -3.159 -6.610
433 H ARG 54 H ARG 54 -6.552 0.667 -4.121
434 HA ARG 54 HA ARG 54 -7.380 2.828 -2.457
435 HB2 ARG 54 1HB ARG 54 -8.746 2.012 -4.326
436 HB3 ARG 54 2HB ARG 54 -8.937 0.463 -3.517
437 HG2 ARG 54 1HG ARG 54 -9.828 2.175 -1.604
438 HG3 ARG 54 2HG ARG 54 -10.325 3.002 -3.083
439 HD2 ARG 54 1HD ARG 54 -12.085 1.519 -2.332
440 HD3 ARG 54 2HD ARG 54 -11.408 0.932 -3.852
441 HE ARG 54 HE ARG 54 -10.185 -0.230 -1.526
442 HH11 ARG 54 1HH1 ARG 54 -12.851 -0.501 -3.781
443 HH12 ARG 54 2HH1 ARG 54 -13.088 -2.197 -3.488
444 HH21 ARG 54 1HH2 ARG 54 -10.504 -2.464 -1.140
445 HH22 ARG 54 2HH2 ARG 54 -11.772 -3.300 -1.993
446 H LEU 55 H LEU 55 -7.686 2.877 -0.352
447 HA LEU 55 HA LEU 55 -7.945 0.353 1.138
448 HB2 LEU 55 1HB LEU 55 -6.197 2.710 1.850
449 HB3 LEU 55 2HB LEU 55 -6.551 1.382 2.937
450 HG LEU 55 HG LEU 55 -5.093 1.120 0.305
451 HD11 LEU 55 1HD1 LEU 55 -4.054 1.059 3.134
452 HD12 LEU 55 2HD1 LEU 55 -3.780 2.341 1.953
453 HD13 LEU 55 3HD1 LEU 55 -3.112 0.733 1.677
454 HD21 LEU 55 3HD2 LEU 55 -6.331 -0.892 0.911
455 HD22 LEU 55 1HD2 LEU 55 -5.587 -0.877 2.509
456 HD23 LEU 55 2HD2 LEU 55 -4.594 -1.147 1.078
457 H GLN 56 H GLN 56 -9.414 0.388 2.775
458 HA GLN 56 HA GLN 56 -11.253 2.580 2.920
459 HB2 GLN 56 1HB GLN 56 -11.741 0.073 3.238
460 HB3 GLN 56 2HB GLN 56 -11.074 0.269 4.852
461 HG2 GLN 56 1HG GLN 56 -12.790 2.054 5.240
462 HG3 GLN 56 2HG GLN 56 -13.524 1.583 3.706
463 HE21 GLN 56 2HE2 GLN 56 -14.680 1.468 6.349
464 HE22 GLN 56 1HE2 GLN 56 -15.053 -0.194 6.666
465 H ALA 57 H ALA 57 -11.823 3.583 5.074
466 HA ALA 57 HA ALA 57 -9.705 4.938 6.240
467 HB1 ALA 57 3HB ALA 57 -12.048 5.646 6.409
468 HB2 ALA 57 1HB ALA 57 -11.262 5.596 7.988
469 HB3 ALA 57 2HB ALA 57 -12.365 4.306 7.513
470 H GLN 58 H GLN 58 -11.254 1.936 7.229
471 HA GLN 58 HA GLN 58 -9.871 1.592 9.663
472 HB2 GLN 58 1HB GLN 58 -11.943 0.400 9.096
473 HB3 GLN 58 2HB GLN 58 -11.100 -0.466 7.819
474 HG2 GLN 58 1HG GLN 58 -9.646 -1.501 9.505
475 HG3 GLN 58 2HG GLN 58 -10.547 -0.667 10.770
476 HE21 GLN 58 2HE2 GLN 58 -10.177 -3.521 10.270
477 HE22 GLN 58 1HE2 GLN 58 -11.771 -4.188 10.109
478 H GLN 59 H GLN 59 -9.078 0.830 6.339
479 HA GLN 59 HA GLN 59 -6.903 -0.922 6.974
480 HB2 GLN 59 1HB GLN 59 -7.590 0.494 4.392
481 HB3 GLN 59 2HB GLN 59 -6.351 -0.742 4.563
482 HG2 GLN 59 1HG GLN 59 -9.311 -1.092 4.967
483 HG3 GLN 59 2HG GLN 59 -8.344 -1.708 3.627
484 HE21 GLN 59 2HE2 GLN 59 -10.015 -3.180 5.481
485 HE22 GLN 59 1HE2 GLN 59 -8.973 -4.309 6.285
486 H TYR 60 H TYR 60 -7.215 2.468 6.021
487 HA TYR 60 HA TYR 60 -4.439 3.050 6.049
488 HB2 TYR 60 1HB TYR 60 -5.938 4.544 4.898
489 HB3 TYR 60 2HB TYR 60 -6.874 4.820 6.362
490 HD1 TYR 60 HD2 TYR 60 -3.513 5.374 4.856
491 HD2 TYR 60 HD1 TYR 60 -6.338 6.584 7.801
492 HE1 TYR 60 HE2 TYR 60 -2.108 7.318 5.399
493 HE2 TYR 60 HE1 TYR 60 -4.941 8.530 8.351
494 HH TYR 60 HH TYR 60 -2.522 9.168 8.173
495 H HIS 61 H HIS 61 -6.779 2.603 8.506
496 HA HIS 61 HA HIS 61 -5.406 4.062 10.560
497 HB2 HIS 61 1HB HIS 61 -7.926 3.443 10.395
498 HB3 HIS 61 2HB HIS 61 -7.428 1.893 11.060
499 HD1 HIS 61 HD1 HIS 61 -7.285 1.758 13.538
500 HD2 HIS 61 HD2 HIS 61 -7.279 5.680 12.160
501 HE1 HIS 61 HE1 HIS 61 -7.406 3.201 15.597
502 HE2 HIS 61 HE2 HIS 61 -7.609 5.561 14.718
503 H ALA 62 H ALA 62 -4.778 1.203 8.993
504 HA ALA 62 HA ALA 62 -3.526 -0.063 11.321
505 HB1 ALA 62 3HB ALA 62 -3.267 -2.032 9.901
506 HB2 ALA 62 1HB ALA 62 -3.933 -1.141 8.533
507 HB3 ALA 62 2HB ALA 62 -4.945 -1.493 9.933
508 H LEU 63 H LEU 63 -2.660 0.512 7.894
509 HA LEU 63 HA LEU 63 0.152 0.499 8.636
510 HB2 LEU 63 1HB LEU 63 0.555 0.653 6.185
511 HB3 LEU 63 2HB LEU 63 -0.367 -0.751 6.675
512 HG LEU 63 HG LEU 63 -2.425 0.777 6.033
513 HD11 LEU 63 1HD1 LEU 63 -1.936 2.192 4.103
514 HD12 LEU 63 2HD1 LEU 63 -0.210 1.909 4.333
515 HD13 LEU 63 3HD1 LEU 63 -1.131 2.780 5.560
516 HD21 LEU 63 3HD2 LEU 63 -2.372 -0.207 3.798
517 HD22 LEU 63 1HD2 LEU 63 -1.878 -1.371 5.026
518 HD23 LEU 63 2HD2 LEU 63 -0.664 -0.596 4.009
519 H THR 64 H THR 64 1.602 2.225 8.086
520 HA THR 64 HA THR 64 0.253 4.845 8.056
521 HB THR 64 HB THR 64 2.796 4.223 9.572
522 HG1 THR 64 HG1 THR 64 0.073 4.037 10.330
523 HG21 THR 64 3HG2 THR 64 2.456 6.583 8.994
524 HG22 THR 64 1HG2 THR 64 2.296 6.325 10.732
525 HG23 THR 64 2HG2 THR 64 0.855 6.536 9.735
526 H VAL 65 H VAL 65 1.325 6.533 6.975
527 HA VAL 65 HA VAL 65 2.898 5.840 4.740
528 HB VAL 65 HB VAL 65 2.382 8.529 6.021
529 HG11 VAL 65 1HG1 VAL 65 3.635 7.924 3.345
530 HG12 VAL 65 2HG1 VAL 65 4.453 8.628 4.739
531 HG13 VAL 65 3HG1 VAL 65 3.170 9.523 3.926
532 HG21 VAL 65 3HG2 VAL 65 0.392 7.449 5.149
533 HG22 VAL 65 1HG2 VAL 65 1.196 7.173 3.602
534 HG23 VAL 65 2HG2 VAL 65 0.835 8.818 4.129
535 H GLY 66 H GLY 66 5.032 5.694 4.450
536 HA2 GLY 66 1HA GLY 66 7.310 6.169 4.928
537 HA3 GLY 66 2HA GLY 66 6.844 6.656 6.552
538 H ASP 67 H ASP 67 5.117 3.970 6.116
539 HA ASP 67 HA ASP 67 6.869 2.391 7.727
540 HB2 ASP 67 1HB ASP 67 4.270 2.389 7.687
541 HB3 ASP 67 2HB ASP 67 4.449 1.287 6.326
542 H GLN 68 H GLN 68 8.718 1.969 6.594
543 HA GLN 68 HA GLN 68 8.715 0.663 4.053
544 HB2 GLN 68 1HB GLN 68 10.858 0.772 6.185
545 HB3 GLN 68 2HB GLN 68 11.088 0.161 4.554
546 HG2 GLN 68 1HG GLN 68 10.632 2.365 3.644
547 HG3 GLN 68 2HG GLN 68 10.347 2.988 5.270
548 HE21 GLN 68 2HE2 GLN 68 12.352 3.747 3.244
549 HE22 GLN 68 1HE2 GLN 68 13.887 3.564 4.029
550 H GLY 69 H GLY 69 7.835 -1.291 3.805
551 HA2 GLY 69 1HA GLY 69 8.692 -3.495 5.461
552 HA3 GLY 69 2HA GLY 69 7.003 -3.058 5.687
553 H THR 70 H THR 70 7.189 -5.488 4.875
554 HA THR 70 HA THR 70 7.703 -5.823 2.079
555 HB THR 70 HB THR 70 6.508 -8.114 2.658
556 HG1 THR 70 HG1 THR 70 6.064 -6.970 4.852
557 HG21 THR 70 3HG2 THR 70 8.868 -7.860 2.072
558 HG22 THR 70 1HG2 THR 70 8.674 -8.980 3.420
559 HG23 THR 70 2HG2 THR 70 9.231 -7.333 3.715
560 H LEU 71 H LEU 71 6.293 -6.115 0.423
561 HA LEU 71 HA LEU 71 3.451 -5.605 1.007
562 HB2 LEU 71 1HB LEU 71 4.597 -3.787 -0.228
563 HB3 LEU 71 2HB LEU 71 5.003 -4.926 -1.495
564 HG LEU 71 HG LEU 71 2.598 -5.241 -1.962
565 HD11 LEU 71 1HD1 LEU 71 1.718 -4.739 0.250
566 HD12 LEU 71 2HD1 LEU 71 0.973 -3.705 -0.969
567 HD13 LEU 71 3HD1 LEU 71 2.231 -3.060 0.086
568 HD21 LEU 71 3HD2 LEU 71 2.232 -3.058 -2.994
569 HD22 LEU 71 1HD2 LEU 71 3.895 -3.602 -3.217
570 HD23 LEU 71 2HD2 LEU 71 3.524 -2.371 -2.008
571 H SER 72 H SER 72 2.164 -7.234 0.606
572 HA SER 72 HA SER 72 3.102 -9.481 -1.051
573 HB2 SER 72 1HB SER 72 2.438 -9.883 1.332
574 HB3 SER 72 2HB SER 72 0.810 -9.337 0.933
575 HG SER 72 HG SER 72 0.440 -11.278 0.274
576 H TYR 73 H TYR 73 2.352 -9.468 -3.108
577 HA TYR 73 HA TYR 73 -0.491 -9.105 -3.520
578 HB2 TYR 73 1HB TYR 73 -0.223 -7.396 -5.285
579 HB3 TYR 73 2HB TYR 73 0.247 -6.805 -3.697
580 HD1 TYR 73 HD2 TYR 73 2.686 -6.575 -3.154
581 HD2 TYR 73 HD1 TYR 73 1.319 -7.418 -7.092
582 HE1 TYR 73 HE2 TYR 73 4.855 -5.854 -4.053
583 HE2 TYR 73 HE1 TYR 73 3.486 -6.699 -8.002
584 HH TYR 73 HH TYR 73 6.220 -6.126 -5.995
585 H LYS 74 H LYS 74 -1.261 -10.320 -5.133
586 HA LYS 74 HA LYS 74 0.639 -11.411 -7.088
587 HB2 LYS 74 1HB LYS 74 -2.177 -12.265 -6.375
588 HB3 LYS 74 2HB LYS 74 -1.279 -12.919 -7.736
589 HG2 LYS 74 1HG LYS 74 0.498 -13.555 -5.991
590 HG3 LYS 74 2HG LYS 74 -0.783 -13.277 -4.807
591 HD2 LYS 74 1HD LYS 74 -2.205 -14.897 -5.973
592 HD3 LYS 74 2HD LYS 74 -0.923 -15.172 -7.152
593 HE2 LYS 74 1HE LYS 74 -0.763 -16.955 -5.629
594 HE3 LYS 74 2HE LYS 74 0.539 -15.849 -5.197
595 HZ1 LYS 74 3HZ LYS 74 -0.626 -16.643 -3.241
596 HZ2 LYS 74 1HZ LYS 74 -2.095 -16.048 -3.837
597 HZ3 LYS 74 2HZ LYS 74 -0.857 -14.975 -3.418
598 H GLY 75 H GLY 75 0.792 -10.225 -8.871
599 HA2 GLY 75 1HA GLY 75 0.213 -8.903 -10.658
600 HA3 GLY 75 2HA GLY 75 -1.436 -9.475 -10.439
601 H THR 76 H THR 76 -2.876 -7.945 -9.997
602 HA THR 76 HA THR 76 -1.927 -5.489 -8.661
603 HB THR 76 HB THR 76 -4.342 -5.559 -10.456
604 HG1 THR 76 HG1 THR 76 -3.075 -5.275 -12.232
605 HG21 THR 76 3HG2 THR 76 -3.763 -3.197 -10.790
606 HG22 THR 76 1HG2 THR 76 -2.342 -3.397 -9.764
607 HG23 THR 76 2HG2 THR 76 -3.957 -3.564 -9.076
608 H ARG 77 H ARG 77 -3.323 -8.170 -7.847
609 HA ARG 77 HA ARG 77 -5.942 -7.522 -6.992
610 HB2 ARG 77 1HB ARG 77 -4.054 -9.694 -6.089
611 HB3 ARG 77 2HB ARG 77 -5.740 -9.589 -5.605
612 HG2 ARG 77 1HG ARG 77 -6.453 -9.853 -7.895
613 HG3 ARG 77 2HG ARG 77 -4.774 -9.856 -8.441
614 HD2 ARG 77 1HD ARG 77 -4.348 -11.897 -7.206
615 HD3 ARG 77 2HD ARG 77 -5.988 -11.873 -6.558
616 HE ARG 77 HE ARG 77 -6.197 -11.843 -9.332
617 HH11 ARG 77 1HH1 ARG 77 -5.001 -13.982 -6.832
618 HH12 ARG 77 2HH1 ARG 77 -5.347 -15.435 -7.724
619 HH21 ARG 77 1HH2 ARG 77 -6.680 -13.759 -10.502
620 HH22 ARG 77 2HH2 ARG 77 -6.308 -15.303 -9.797
621 H PHE 78 H PHE 78 -2.813 -7.210 -5.484
622 HA PHE 78 HA PHE 78 -2.080 -6.379 -3.509
623 HB2 PHE 78 1HB PHE 78 -3.448 -4.412 -4.152
624 HB3 PHE 78 2HB PHE 78 -4.824 -5.116 -3.313
625 HD1 PHE 78 HD2 PHE 78 -1.353 -3.913 -2.779
626 HD2 PHE 78 HD1 PHE 78 -5.159 -4.701 -1.044
627 HE1 PHE 78 HE2 PHE 78 -0.628 -2.820 -0.699
628 HE2 PHE 78 HE1 PHE 78 -4.440 -3.607 1.040
629 HZ PHE 78 HZ PHE 78 -2.170 -2.665 1.215
630 H VAL 79 H VAL 79 -1.749 -8.084 -2.229
631 HA VAL 79 HA VAL 79 -3.981 -9.489 -1.012
632 HB VAL 79 HB VAL 79 -1.012 -9.972 -0.685
633 HG11 VAL 79 1HG1 VAL 79 -3.375 -11.749 -0.084
634 HG12 VAL 79 2HG1 VAL 79 -2.345 -10.953 1.106
635 HG13 VAL 79 3HG1 VAL 79 -1.677 -12.205 0.062
636 HG21 VAL 79 3HG2 VAL 79 -2.981 -11.258 -2.570
637 HG22 VAL 79 1HG2 VAL 79 -1.307 -11.762 -2.336
638 HG23 VAL 79 2HG2 VAL 79 -1.664 -10.173 -3.016
639 H GLY 80 H GLY 80 -1.401 -7.286 -0.144
640 HA2 GLY 80 1HA GLY 80 -2.554 -5.811 1.711
641 HA3 GLY 80 2HA GLY 80 -2.267 -7.274 2.642
642 H PHE 81 H PHE 81 -1.194 -4.633 3.077
643 HA PHE 81 HA PHE 81 1.632 -4.894 2.478
644 HB2 PHE 81 1HB PHE 81 0.576 -2.659 2.437
645 HB3 PHE 81 2HB PHE 81 0.162 -2.829 4.139
646 HD1 PHE 81 HD1 PHE 81 3.019 -2.661 1.791
647 HD2 PHE 81 HD2 PHE 81 1.679 -2.216 5.805
648 HE1 PHE 81 HE1 PHE 81 5.193 -1.690 2.406
649 HE2 PHE 81 HE2 PHE 81 3.851 -1.245 6.426
650 HZ PHE 81 HZ PHE 81 5.610 -0.981 4.726
651 H VAL 82 H VAL 82 3.105 -5.731 3.845
652 HA VAL 82 HA VAL 82 2.077 -6.664 6.442
653 HB VAL 82 HB VAL 82 4.279 -7.910 4.785
654 HG11 VAL 82 1HG1 VAL 82 4.548 -8.277 7.183
655 HG12 VAL 82 2HG1 VAL 82 4.105 -9.774 6.362
656 HG13 VAL 82 3HG1 VAL 82 2.896 -8.883 7.285
657 HG21 VAL 82 3HG2 VAL 82 1.427 -8.812 5.190
658 HG22 VAL 82 1HG2 VAL 82 2.681 -9.715 4.342
659 HG23 VAL 82 2HG2 VAL 82 2.115 -8.176 3.695
660 H SER 83 H SER 83 2.769 -5.235 7.906
661 HA SER 83 HA SER 83 5.402 -4.103 7.880
662 HB2 SER 83 1HB SER 83 4.672 -3.428 10.273
663 HB3 SER 83 2HB SER 83 3.777 -2.745 8.913
664 HG SER 83 HG SER 83 2.507 -3.666 10.714
665 H ARG 84 H ARG 84 6.172 -6.414 7.563
666 HA ARG 84 HA ARG 84 6.122 -8.362 9.547
667 HB2 ARG 84 1HB ARG 84 6.751 -8.832 7.252
668 HB3 ARG 84 2HB ARG 84 8.168 -7.804 7.395
669 HG2 ARG 84 1HG ARG 84 9.177 -9.336 8.956
670 HG3 ARG 84 2HG ARG 84 7.721 -10.336 8.959
671 HD2 ARG 84 1HD ARG 84 8.028 -10.885 6.639
672 HD3 ARG 84 2HD ARG 84 9.375 -9.756 6.506
673 HE ARG 84 HE ARG 84 10.680 -11.234 7.885
674 HH11 ARG 84 1HH1 ARG 84 7.618 -12.550 6.764
675 HH12 ARG 84 2HH1 ARG 84 8.137 -14.206 6.934
676 HH21 ARG 84 1HH2 ARG 84 11.350 -13.420 8.071
677 HH22 ARG 84 2HH2 ARG 84 10.238 -14.691 7.665
678 H THR 85 H THR 85 6.720 -8.019 11.569
679 HA THR 85 HA THR 85 9.291 -6.661 12.062
680 HB THR 85 HB THR 85 6.991 -6.934 14.007
681 HG1 THR 85 HG1 THR 85 6.772 -5.554 11.941
682 HG21 THR 85 3HG2 THR 85 8.157 -5.162 15.229
683 HG22 THR 85 1HG2 THR 85 9.436 -5.159 14.014
684 HG23 THR 85 2HG2 THR 85 9.188 -6.578 15.032
685 HA PRO 86 HA PRO 86 10.248 -10.881 13.460
686 HB2 PRO 86 1HB PRO 86 12.936 -10.567 13.380
687 HB3 PRO 86 2HB PRO 86 11.976 -10.908 11.935
688 HG2 PRO 86 1HG PRO 86 13.074 -8.303 12.913
689 HG3 PRO 86 2HG PRO 86 13.012 -8.945 11.261
690 HD2 PRO 86 1HD PRO 86 11.246 -7.104 12.221
691 HD3 PRO 86 2HD PRO 86 10.839 -8.275 10.952
692 H ASP 87 H ASP 87 11.423 -11.693 15.334
693 HA ASP 87 HA ASP 87 10.883 -10.373 17.696
694 HB2 ASP 87 1HB ASP 87 12.904 -12.523 17.072
695 HB3 ASP 87 2HB ASP 87 12.639 -11.933 18.709
696 H ASN 88 H ASN 88 11.926 -8.967 19.024
697 HA ASN 88 HA ASN 88 14.006 -7.433 17.706
698 HB2 ASN 88 1HB ASN 88 12.034 -6.296 18.710
699 HB3 ASN 88 2HB ASN 88 12.588 -6.812 20.300
700 HD21 ASN 88 2HD2 ASN 88 12.968 -4.805 21.114
701 HD22 ASN 88 1HD2 ASN 88 14.229 -3.763 20.536
702 H GLU 89 H GLU 89 15.336 -9.493 18.165
703 HA GLU 89 HA GLU 89 17.376 -8.484 19.902
704 HB2 GLU 89 1HB GLU 89 15.866 -9.940 21.396
705 HB3 GLU 89 2HB GLU 89 16.472 -11.308 20.470
706 HG2 GLU 89 1HG GLU 89 18.702 -10.912 21.189
707 HG3 GLU 89 2HG GLU 89 18.258 -9.365 21.907
708 H LEU 90 H LEU 90 16.733 -9.052 17.151
709 HA LEU 90 HA LEU 90 18.911 -10.896 16.455
710 HB2 LEU 90 1HB LEU 90 16.702 -11.921 16.037
711 HB3 LEU 90 2HB LEU 90 16.248 -10.541 15.060
712 HG LEU 90 HG LEU 90 18.089 -11.144 13.474
713 HD11 LEU 90 1HD1 LEU 90 19.472 -12.440 15.005
714 HD12 LEU 90 2HD1 LEU 90 19.013 -13.403 13.599
715 HD13 LEU 90 3HD1 LEU 90 18.198 -13.652 15.144
716 HD21 LEU 90 3HD2 LEU 90 15.964 -13.227 13.966
717 HD22 LEU 90 1HD2 LEU 90 16.858 -13.001 12.463
718 HD23 LEU 90 2HD2 LEU 90 15.768 -11.740 13.039
719 H GLU 91 H GLU 91 20.343 -10.054 14.962
720 HA GLU 91 HA GLU 91 20.253 -7.263 14.519
721 HB2 GLU 91 1HB GLU 91 22.018 -9.413 13.369
722 HB3 GLU 91 2HB GLU 91 22.224 -7.705 12.993
723 HG2 GLU 91 1HG GLU 91 22.343 -8.926 15.742
724 HG3 GLU 91 2HG GLU 91 23.727 -8.431 14.770
725 H HIS 92 H HIS 92 18.972 -9.899 12.734
726 HA HIS 92 HA HIS 92 18.698 -8.580 10.239
727 HB2 HIS 92 1HB HIS 92 17.253 -10.908 11.488
728 HB3 HIS 92 2HB HIS 92 16.785 -10.268 9.916
729 HD1 HIS 92 HD1 HIS 92 18.423 -13.057 10.976
730 HD2 HIS 92 HD2 HIS 92 19.618 -9.967 8.457
731 HE1 HIS 92 HE1 HIS 92 20.274 -14.005 9.566
732 HE2 HIS 92 HE2 HIS 92 20.810 -12.191 7.900
733 H HIS 93 H HIS 93 17.092 -8.225 13.249
734 HA HIS 93 HA HIS 93 14.703 -6.993 12.222
735 HB2 HIS 93 1HB HIS 93 14.679 -8.020 14.438
736 HB3 HIS 93 2HB HIS 93 15.969 -6.958 14.980
737 HD1 HIS 93 HD1 HIS 93 12.367 -7.291 15.038
738 HD2 HIS 93 HD2 HIS 93 15.064 -4.121 15.048
739 HE1 HIS 93 HE1 HIS 93 11.081 -5.300 15.871
740 HE2 HIS 93 HE2 HIS 93 12.770 -3.436 16.013
741 H HIS 94 H HIS 94 17.939 -6.025 12.913
742 HA HIS 94 HA HIS 94 17.255 -3.181 12.930
743 HB2 HIS 94 1HB HIS 94 19.885 -4.602 13.422
744 HB3 HIS 94 2HB HIS 94 19.672 -2.857 13.474
745 HD1 HIS 94 HD1 HIS 94 20.162 -5.385 15.758
746 HD2 HIS 94 HD2 HIS 94 17.206 -2.462 15.420
747 HE1 HIS 94 HE1 HIS 94 19.156 -5.157 18.051
748 HE2 HIS 94 HE2 HIS 94 17.507 -3.261 17.867
749 H HIS 95 H HIS 95 17.404 -5.230 10.581
750 HA HIS 95 HA HIS 95 19.085 -3.561 8.829
751 HB2 HIS 95 1HB HIS 95 18.661 -6.544 8.838
752 HB3 HIS 95 2HB HIS 95 19.187 -5.706 7.386
753 HD1 HIS 95 HD1 HIS 95 21.421 -7.092 7.520
754 HD2 HIS 95 HD2 HIS 95 20.777 -4.466 10.687
755 HE1 HIS 95 HE1 HIS 95 23.638 -6.879 8.698
756 HE2 HIS 95 HE2 HIS 95 23.216 -5.328 10.641
757 H HIS 96 H HIS 96 18.390 -3.856 6.454
758 HA HIS 96 HA HIS 96 15.469 -4.081 6.204
759 HB2 HIS 96 1HB HIS 96 17.143 -1.828 5.055
760 HB3 HIS 96 2HB HIS 96 15.431 -2.086 4.741
761 HD1 HIS 96 HD1 HIS 96 17.695 -0.334 6.955
762 HD2 HIS 96 HD2 HIS 96 13.825 -1.826 7.220
763 HE1 HIS 96 HE1 HIS 96 16.645 0.854 8.906
764 HE2 HIS 96 HE2 HIS 96 14.384 -0.220 9.178
765 H HIS 97 H HIS 97 14.804 -4.371 3.881
766 HA HIS 97 HA HIS 97 16.952 -5.422 2.201
767 HB2 HIS 97 1HB HIS 97 16.050 -7.285 3.658
768 HB3 HIS 97 2HB HIS 97 14.518 -7.100 2.814
769 HD1 HIS 97 HD1 HIS 97 14.371 -7.998 0.413
770 HD2 HIS 97 HD2 HIS 97 18.121 -8.450 2.150
771 HE1 HIS 97 HE1 HIS 97 15.629 -9.563 -1.093
772 HE2 HIS 97 HE2 HIS 97 17.794 -10.010 0.109
Start of MODEL 15
1 H1 MET 1 1H MET 1 8.068 -17.905 -6.409
2 H2 MET 1 2H MET 1 9.659 -18.014 -5.837
3 H3 MET 1 3H MET 1 8.502 -17.137 -4.959
4 HA MET 1 HA MET 1 8.595 -20.063 -5.386
5 HB2 MET 1 1HB MET 1 8.706 -18.400 -2.857
6 HB3 MET 1 2HB MET 1 8.766 -20.155 -2.937
7 HG2 MET 1 1HG MET 1 10.881 -20.034 -4.141
8 HG3 MET 1 2HG MET 1 10.820 -18.273 -4.077
9 HE1 MET 1 3HE MET 1 10.961 -16.875 -1.807
10 HE2 MET 1 1HE MET 1 11.123 -17.615 -0.215
11 HE3 MET 1 2HE MET 1 9.629 -17.813 -1.133
12 H ALA 2 H ALA 2 6.909 -17.644 -3.388
13 HA ALA 2 HA ALA 2 4.505 -19.273 -3.421
14 HB1 ALA 2 3HB ALA 2 3.647 -17.662 -1.812
15 HB2 ALA 2 1HB ALA 2 5.040 -16.617 -2.090
16 HB3 ALA 2 2HB ALA 2 5.259 -18.198 -1.341
17 HA PRO 3 HA PRO 3 2.401 -17.093 -6.702
18 HB2 PRO 3 1HB PRO 3 -0.007 -17.331 -4.986
19 HB3 PRO 3 2HB PRO 3 0.251 -17.881 -6.645
20 HG2 PRO 3 1HG PRO 3 0.177 -19.619 -4.622
21 HG3 PRO 3 2HG PRO 3 1.306 -19.835 -5.973
22 HD2 PRO 3 1HD PRO 3 1.825 -18.806 -3.211
23 HD3 PRO 3 2HD PRO 3 2.822 -19.872 -4.223
24 H LEU 4 H LEU 4 1.990 -16.206 -3.335
25 HA LEU 4 HA LEU 4 1.160 -13.501 -3.941
26 HB2 LEU 4 1HB LEU 4 0.424 -14.705 -1.887
27 HB3 LEU 4 2HB LEU 4 2.087 -14.729 -1.340
28 HG LEU 4 HG LEU 4 2.071 -12.256 -1.266
29 HD11 LEU 4 1HD1 LEU 4 -0.075 -11.090 -1.386
30 HD12 LEU 4 2HD1 LEU 4 -0.864 -12.590 -1.875
31 HD13 LEU 4 3HD1 LEU 4 0.339 -11.842 -2.926
32 HD21 LEU 4 3HD2 LEU 4 0.701 -12.097 0.745
33 HD22 LEU 4 1HD2 LEU 4 1.617 -13.603 0.725
34 HD23 LEU 4 2HD2 LEU 4 -0.103 -13.610 0.329
35 H GLN 5 H GLN 5 2.591 -12.011 -4.605
36 HA GLN 5 HA GLN 5 5.413 -12.477 -4.019
37 HB2 GLN 5 1HB GLN 5 4.705 -11.997 -6.374
38 HB3 GLN 5 2HB GLN 5 4.226 -10.386 -5.850
39 HG2 GLN 5 1HG GLN 5 6.474 -9.824 -5.281
40 HG3 GLN 5 2HG GLN 5 7.008 -11.483 -5.535
41 HE21 GLN 5 2HE2 GLN 5 8.524 -10.946 -7.045
42 HE22 GLN 5 1HE2 GLN 5 8.117 -10.423 -8.643
43 H GLN 6 H GLN 6 6.146 -11.632 -2.226
44 HA GLN 6 HA GLN 6 5.039 -9.085 -1.292
45 HB2 GLN 6 1HB GLN 6 6.573 -11.245 0.161
46 HB3 GLN 6 2HB GLN 6 6.180 -9.687 0.876
47 HG2 GLN 6 1HG GLN 6 3.797 -10.166 0.588
48 HG3 GLN 6 2HG GLN 6 4.205 -11.731 -0.112
49 HE21 GLN 6 2HE2 GLN 6 2.657 -11.045 2.289
50 HE22 GLN 6 1HE2 GLN 6 3.426 -11.892 3.590
51 H LYS 7 H LYS 7 6.254 -7.311 -1.199
52 HA LYS 7 HA LYS 7 9.161 -7.535 -1.367
53 HB2 LYS 7 1HB LYS 7 8.328 -7.269 -3.691
54 HB3 LYS 7 2HB LYS 7 7.524 -5.782 -3.211
55 HG2 LYS 7 1HG LYS 7 9.668 -4.752 -2.713
56 HG3 LYS 7 2HG LYS 7 10.495 -6.256 -3.120
57 HD2 LYS 7 1HD LYS 7 8.826 -4.602 -5.012
58 HD3 LYS 7 2HD LYS 7 10.589 -4.635 -4.960
59 HE2 LYS 7 1HE LYS 7 10.611 -6.961 -5.586
60 HE3 LYS 7 2HE LYS 7 8.855 -7.052 -5.472
61 HZ1 LYS 7 3HZ LYS 7 8.739 -5.421 -7.302
62 HZ2 LYS 7 1HZ LYS 7 9.487 -6.872 -7.755
63 HZ3 LYS 7 2HZ LYS 7 10.428 -5.495 -7.457
64 H GLN 8 H GLN 8 10.253 -5.835 -0.399
65 HA GLN 8 HA GLN 8 8.706 -4.243 1.435
66 HB2 GLN 8 1HB GLN 8 10.899 -5.211 2.067
67 HB3 GLN 8 2HB GLN 8 11.678 -4.185 0.873
68 HG2 GLN 8 1HG GLN 8 11.085 -2.209 2.075
69 HG3 GLN 8 2HG GLN 8 10.074 -3.130 3.188
70 HE21 GLN 8 2HE2 GLN 8 11.204 -2.411 4.983
71 HE22 GLN 8 1HE2 GLN 8 12.794 -2.973 5.363
72 H VAL 9 H VAL 9 7.888 -2.331 1.039
73 HA VAL 9 HA VAL 9 9.097 -0.619 -1.023
74 HB VAL 9 HB VAL 9 6.789 0.062 -1.730
75 HG11 VAL 9 1HG1 VAL 9 7.531 -2.829 -2.164
76 HG12 VAL 9 2HG1 VAL 9 8.095 -1.448 -3.106
77 HG13 VAL 9 3HG1 VAL 9 6.394 -1.908 -3.149
78 HG21 VAL 9 3HG2 VAL 9 5.962 -2.379 -0.161
79 HG22 VAL 9 1HG2 VAL 9 4.924 -1.459 -1.251
80 HG23 VAL 9 2HG2 VAL 9 5.549 -0.707 0.218
81 H VAL 10 H VAL 10 7.971 1.632 -0.921
82 HA VAL 10 HA VAL 10 7.726 2.373 1.927
83 HB VAL 10 HB VAL 10 8.670 4.149 -0.331
84 HG11 VAL 10 1HG1 VAL 10 7.661 5.366 1.519
85 HG12 VAL 10 2HG1 VAL 10 9.403 5.644 1.468
86 HG13 VAL 10 3HG1 VAL 10 8.720 4.536 2.662
87 HG21 VAL 10 3HG2 VAL 10 10.289 2.377 0.015
88 HG22 VAL 10 1HG2 VAL 10 10.293 2.690 1.750
89 HG23 VAL 10 2HG2 VAL 10 10.922 3.903 0.635
90 H VAL 11 H VAL 11 5.788 3.107 2.517
91 HA VAL 11 HA VAL 11 3.798 3.934 0.602
92 HB VAL 11 HB VAL 11 3.740 4.252 3.610
93 HG11 VAL 11 1HG1 VAL 11 2.074 5.595 2.453
94 HG12 VAL 11 2HG1 VAL 11 1.306 4.263 3.319
95 HG13 VAL 11 3HG1 VAL 11 1.520 4.173 1.569
96 HG21 VAL 11 3HG2 VAL 11 2.485 2.138 3.644
97 HG22 VAL 11 1HG2 VAL 11 4.133 1.924 3.050
98 HG23 VAL 11 2HG2 VAL 11 2.783 1.948 1.914
99 H SER 12 H SER 12 4.225 5.794 -0.444
100 HA SER 12 HA SER 12 5.890 7.800 0.722
101 HB2 SER 12 1HB SER 12 4.316 8.009 -1.843
102 HB3 SER 12 2HB SER 12 5.765 8.904 -1.397
103 HG SER 12 HG SER 12 5.755 6.789 -2.791
104 H ASN 13 H ASN 13 2.462 7.813 -0.310
105 HA ASN 13 HA ASN 13 1.824 9.825 1.644
106 HB2 ASN 13 1HB ASN 13 2.915 11.157 -0.157
107 HB3 ASN 13 2HB ASN 13 1.710 10.561 -1.290
108 HD21 ASN 13 2HD2 ASN 13 0.905 12.535 -1.782
109 HD22 ASN 13 1HD2 ASN 13 -0.020 13.498 -0.672
110 H LYS 14 H LYS 14 -0.489 10.470 1.504
111 HA LYS 14 HA LYS 14 -2.105 8.253 0.443
112 HB2 LYS 14 1HB LYS 14 -3.808 8.944 2.094
113 HB3 LYS 14 2HB LYS 14 -2.281 8.523 2.859
114 HG2 LYS 14 1HG LYS 14 -1.736 10.837 3.180
115 HG3 LYS 14 2HG LYS 14 -3.150 11.341 2.253
116 HD2 LYS 14 1HD LYS 14 -4.605 10.302 3.951
117 HD3 LYS 14 2HD LYS 14 -3.173 9.860 4.884
118 HE2 LYS 14 1HE LYS 14 -2.594 12.208 5.140
119 HE3 LYS 14 2HE LYS 14 -3.982 12.673 4.158
120 HZ1 LYS 14 3HZ LYS 14 -5.454 11.777 5.833
121 HZ2 LYS 14 1HZ LYS 14 -4.402 12.902 6.541
122 HZ3 LYS 14 2HZ LYS 14 -4.139 11.244 6.762
123 H ARG 15 H ARG 15 -3.880 8.648 -0.810
124 HA ARG 15 HA ARG 15 -4.736 11.373 -1.354
125 HB2 ARG 15 1HB ARG 15 -3.356 9.622 -3.352
126 HB3 ARG 15 2HB ARG 15 -4.667 10.658 -3.903
127 HG2 ARG 15 1HG ARG 15 -3.508 12.624 -3.158
128 HG3 ARG 15 2HG ARG 15 -2.249 11.647 -2.402
129 HD2 ARG 15 1HD ARG 15 -2.811 11.392 -5.330
130 HD3 ARG 15 2HD ARG 15 -1.825 12.724 -4.728
131 HE ARG 15 HE ARG 15 -0.559 10.709 -3.611
132 HH11 ARG 15 1HH1 ARG 15 -1.892 10.884 -6.845
133 HH12 ARG 15 2HH1 ARG 15 -0.640 9.896 -7.543
134 HH21 ARG 15 1HH2 ARG 15 1.086 9.413 -4.532
135 HH22 ARG 15 2HH2 ARG 15 1.040 9.052 -6.236
136 H GLU 16 H GLU 16 -6.542 10.994 -3.338
137 HA GLU 16 HA GLU 16 -8.051 8.576 -2.727
138 HB2 GLU 16 1HB GLU 16 -8.820 10.305 -1.109
139 HB3 GLU 16 2HB GLU 16 -9.288 11.322 -2.466
140 HG2 GLU 16 1HG GLU 16 -10.773 9.415 -3.211
141 HG3 GLU 16 2HG GLU 16 -10.461 8.684 -1.639
142 H LYS 17 H LYS 17 -8.323 7.732 -4.685
143 HA LYS 17 HA LYS 17 -9.791 9.390 -6.621
144 HB2 LYS 17 1HB LYS 17 -7.800 7.227 -7.356
145 HB3 LYS 17 2HB LYS 17 -8.726 8.217 -8.472
146 HG2 LYS 17 1HG LYS 17 -7.510 10.192 -7.775
147 HG3 LYS 17 2HG LYS 17 -6.625 9.244 -6.580
148 HD2 LYS 17 1HD LYS 17 -6.556 8.627 -9.526
149 HD3 LYS 17 2HD LYS 17 -5.415 9.726 -8.755
150 HE2 LYS 17 1HE LYS 17 -4.386 7.572 -8.913
151 HE3 LYS 17 2HE LYS 17 -4.757 7.879 -7.220
152 HZ1 LYS 17 3HZ LYS 17 -6.591 6.405 -7.305
153 HZ2 LYS 17 1HZ LYS 17 -5.285 5.593 -8.019
154 HZ3 LYS 17 2HZ LYS 17 -6.498 6.257 -8.998
155 HA PRO 18 HA PRO 18 -12.589 6.035 -5.442
156 HB2 PRO 18 1HB PRO 18 -14.638 6.966 -7.062
157 HB3 PRO 18 2HB PRO 18 -14.371 7.454 -5.387
158 HG2 PRO 18 1HG PRO 18 -13.613 8.848 -7.913
159 HG3 PRO 18 2HG PRO 18 -14.203 9.530 -6.385
160 HD2 PRO 18 1HD PRO 18 -11.604 9.636 -7.068
161 HD3 PRO 18 2HD PRO 18 -12.120 9.421 -5.383
162 H VAL 19 H VAL 19 -11.797 4.228 -6.416
163 HA VAL 19 HA VAL 19 -11.634 4.035 -9.284
164 HB VAL 19 HB VAL 19 -11.224 1.790 -7.305
165 HG11 VAL 19 1HG1 VAL 19 -10.227 2.213 -10.122
166 HG12 VAL 19 2HG1 VAL 19 -11.477 1.077 -9.618
167 HG13 VAL 19 3HG1 VAL 19 -9.812 0.851 -9.082
168 HG21 VAL 19 3HG2 VAL 19 -8.847 2.334 -7.349
169 HG22 VAL 19 1HG2 VAL 19 -9.788 3.682 -6.711
170 HG23 VAL 19 2HG2 VAL 19 -9.176 3.738 -8.363
171 H ASN 20 H ASN 20 -13.948 4.508 -9.458
172 HA ASN 20 HA ASN 20 -15.316 2.154 -10.235
173 HB2 ASN 20 1HB ASN 20 -15.802 2.115 -7.774
174 HB3 ASN 20 2HB ASN 20 -16.585 3.683 -7.946
175 HD21 ASN 20 2HD2 ASN 20 -18.543 3.827 -9.028
176 HD22 ASN 20 1HD2 ASN 20 -19.507 2.434 -9.386
177 H ASP 21 H ASP 21 -15.204 3.336 -12.153
178 HA ASP 21 HA ASP 21 -16.896 5.751 -12.263
179 HB2 ASP 21 1HB ASP 21 -14.683 6.439 -12.717
180 HB3 ASP 21 2HB ASP 21 -14.349 5.014 -13.691
181 H ARG 22 H ARG 22 -16.255 2.622 -13.548
182 HA ARG 22 HA ARG 22 -17.545 3.044 -16.065
183 HB2 ARG 22 1HB ARG 22 -16.587 0.545 -14.676
184 HB3 ARG 22 2HB ARG 22 -17.285 0.556 -16.291
185 HG2 ARG 22 1HG ARG 22 -15.515 1.959 -17.109
186 HG3 ARG 22 2HG ARG 22 -14.855 2.135 -15.484
187 HD2 ARG 22 1HD ARG 22 -14.311 -0.221 -15.414
188 HD3 ARG 22 2HD ARG 22 -15.071 -0.470 -16.986
189 HE ARG 22 HE ARG 22 -13.316 1.131 -17.845
190 HH11 ARG 22 1HH1 ARG 22 -12.770 -0.890 -15.033
191 HH12 ARG 22 2HH1 ARG 22 -11.046 -0.924 -15.225
192 HH21 ARG 22 1HH2 ARG 22 -11.050 1.059 -18.125
193 HH22 ARG 22 2HH2 ARG 22 -10.067 0.149 -17.016
194 H ARG 23 H ARG 23 -18.552 1.660 -12.969
195 HA ARG 23 HA ARG 23 -21.302 1.691 -13.987
196 HB2 ARG 23 1HB ARG 23 -19.930 -0.642 -12.680
197 HB3 ARG 23 2HB ARG 23 -21.677 -0.462 -12.642
198 HG2 ARG 23 1HG ARG 23 -21.742 -0.492 -15.078
199 HG3 ARG 23 2HG ARG 23 -19.986 -0.656 -15.124
200 HD2 ARG 23 1HD ARG 23 -21.097 -2.814 -15.424
201 HD3 ARG 23 2HD ARG 23 -20.135 -2.778 -13.948
202 HE ARG 23 HE ARG 23 -23.083 -2.542 -14.037
203 HH11 ARG 23 1HH1 ARG 23 -20.114 -3.461 -12.399
204 HH12 ARG 23 2HH1 ARG 23 -20.943 -4.209 -11.071
205 HH21 ARG 23 1HH2 ARG 23 -24.155 -3.528 -12.290
206 HH22 ARG 23 2HH2 ARG 23 -23.230 -4.259 -11.007
207 H SER 24 H SER 24 -22.400 3.028 -12.737
208 HA SER 24 HA SER 24 -21.792 3.571 -10.023
209 HB2 SER 24 1HB SER 24 -24.427 3.983 -11.461
210 HB3 SER 24 2HB SER 24 -23.881 4.807 -10.000
211 HG SER 24 HG SER 24 -22.784 6.144 -11.193
212 H ARG 25 H ARG 25 -21.864 1.985 -8.568
213 HA ARG 25 HA ARG 25 -23.445 -0.354 -8.892
214 HB2 ARG 25 1HB ARG 25 -21.980 0.591 -6.426
215 HB3 ARG 25 2HB ARG 25 -22.537 -1.047 -6.747
216 HG2 ARG 25 1HG ARG 25 -21.017 -1.116 -8.708
217 HG3 ARG 25 2HG ARG 25 -20.388 0.459 -8.220
218 HD2 ARG 25 1HD ARG 25 -19.753 -0.516 -6.039
219 HD3 ARG 25 2HD ARG 25 -20.297 -2.092 -6.614
220 HE ARG 25 HE ARG 25 -17.999 -0.580 -7.675
221 HH11 ARG 25 1HH1 ARG 25 -19.813 -3.571 -7.409
222 HH12 ARG 25 2HH1 ARG 25 -18.488 -4.562 -7.952
223 HH21 ARG 25 1HH2 ARG 25 -16.270 -1.885 -8.398
224 HH22 ARG 25 2HH2 ARG 25 -16.469 -3.609 -8.506
225 H GLN 26 H GLN 26 -23.967 2.665 -7.363
226 HA GLN 26 HA GLN 26 -26.267 1.660 -5.873
227 HB2 GLN 26 1HB GLN 26 -24.848 4.323 -5.873
228 HB3 GLN 26 2HB GLN 26 -26.343 4.029 -4.996
229 HG2 GLN 26 1HG GLN 26 -25.273 2.365 -3.630
230 HG3 GLN 26 2HG GLN 26 -23.790 2.493 -4.574
231 HE21 GLN 26 2HE2 GLN 26 -24.313 2.929 -1.702
232 HE22 GLN 26 1HE2 GLN 26 -23.737 4.528 -1.376
233 H GLN 27 H GLN 27 -28.065 3.590 -5.909
234 HA GLN 27 HA GLN 27 -29.090 3.318 -8.598
235 HB2 GLN 27 1HB GLN 27 -30.501 2.822 -6.654
236 HB3 GLN 27 2HB GLN 27 -30.343 4.484 -6.108
237 HG2 GLN 27 1HG GLN 27 -31.560 5.285 -8.009
238 HG3 GLN 27 2HG GLN 27 -31.588 3.671 -8.720
239 HE21 GLN 27 2HE2 GLN 27 -33.777 5.482 -7.931
240 HE22 GLN 27 1HE2 GLN 27 -34.760 4.559 -6.846
241 H GLU 28 H GLU 28 -28.116 5.912 -6.409
242 HA GLU 28 HA GLU 28 -28.855 7.938 -8.345
243 HB2 GLU 28 1HB GLU 28 -27.499 8.169 -5.656
244 HB3 GLU 28 2HB GLU 28 -27.978 9.533 -6.658
245 HG2 GLU 28 1HG GLU 28 -29.767 7.512 -5.335
246 HG3 GLU 28 2HG GLU 28 -29.642 9.237 -4.991
247 H VAL 29 H VAL 29 -27.427 9.403 -9.299
248 HA VAL 29 HA VAL 29 -25.193 8.159 -10.490
249 HB VAL 29 HB VAL 29 -25.873 11.105 -10.487
250 HG11 VAL 29 1HG1 VAL 29 -24.679 11.155 -12.624
251 HG12 VAL 29 2HG1 VAL 29 -24.274 9.447 -12.436
252 HG13 VAL 29 3HG1 VAL 29 -23.626 10.638 -11.306
253 HG21 VAL 29 3HG2 VAL 29 -27.091 10.647 -12.567
254 HG22 VAL 29 1HG2 VAL 29 -27.791 9.789 -11.195
255 HG23 VAL 29 2HG2 VAL 29 -26.787 8.923 -12.358
256 H SER 30 H SER 30 -25.513 10.554 -7.940
257 HA SER 30 HA SER 30 -24.089 11.370 -6.384
258 HB2 SER 30 1HB SER 30 -22.166 9.167 -7.148
259 HB3 SER 30 2HB SER 30 -22.283 10.009 -5.602
260 HG SER 30 HG SER 30 -24.165 8.222 -6.752
261 HA PRO 31 HA PRO 31 -21.962 13.488 -9.940
262 HB2 PRO 31 1HB PRO 31 -22.949 15.868 -8.497
263 HB3 PRO 31 2HB PRO 31 -23.116 15.434 -10.201
264 HG2 PRO 31 1HG PRO 31 -25.200 15.307 -8.543
265 HG3 PRO 31 2HG PRO 31 -24.963 14.093 -9.814
266 HD2 PRO 31 1HD PRO 31 -24.365 13.905 -6.882
267 HD3 PRO 31 2HD PRO 31 -25.117 12.705 -7.955
268 H ALA 32 H ALA 32 -21.695 13.729 -6.505
269 HA ALA 32 HA ALA 32 -19.615 15.598 -6.278
270 HB1 ALA 32 3HB ALA 32 -20.923 14.802 -4.366
271 HB2 ALA 32 1HB ALA 32 -19.191 14.613 -4.092
272 HB3 ALA 32 2HB ALA 32 -20.175 13.212 -4.518
273 H GLY 33 H GLY 33 -19.606 12.153 -6.990
274 HA2 GLY 33 1HA GLY 33 -17.984 10.794 -7.871
275 HA3 GLY 33 2HA GLY 33 -17.192 12.262 -8.415
276 H THR 34 H THR 34 -17.840 11.259 -5.087
277 HA THR 34 HA THR 34 -14.946 10.919 -4.701
278 HB THR 34 HB THR 34 -15.456 13.113 -3.823
279 HG1 THR 34 HG1 THR 34 -14.087 11.629 -2.544
280 HG21 THR 34 3HG2 THR 34 -17.873 12.849 -3.518
281 HG22 THR 34 1HG2 THR 34 -17.109 13.476 -2.057
282 HG23 THR 34 2HG2 THR 34 -17.585 11.781 -2.146
283 H SER 35 H SER 35 -14.331 9.423 -3.160
284 HA SER 35 HA SER 35 -16.342 7.985 -1.639
285 HB2 SER 35 1HB SER 35 -14.501 6.550 -3.578
286 HB3 SER 35 2HB SER 35 -15.635 5.786 -2.464
287 HG SER 35 HG SER 35 -17.019 7.533 -3.861
288 H MET 36 H MET 36 -15.525 7.748 0.349
289 HA MET 36 HA MET 36 -12.872 8.745 0.792
290 HB2 MET 36 1HB MET 36 -14.988 7.783 2.717
291 HB3 MET 36 2HB MET 36 -13.467 8.523 3.202
292 HG2 MET 36 1HG MET 36 -14.077 10.556 1.976
293 HG3 MET 36 2HG MET 36 -15.612 9.815 1.531
294 HE1 MET 36 3HE MET 36 -13.630 9.654 4.939
295 HE2 MET 36 1HE MET 36 -14.420 10.942 5.850
296 HE3 MET 36 2HE MET 36 -13.444 11.334 4.436
297 H ARG 37 H ARG 37 -12.766 6.288 -0.571
298 HA ARG 37 HA ARG 37 -11.443 4.568 1.402
299 HB2 ARG 37 1HB ARG 37 -12.251 4.133 -1.468
300 HB3 ARG 37 2HB ARG 37 -11.058 3.099 -0.696
301 HG2 ARG 37 1HG ARG 37 -13.079 1.955 -0.475
302 HG3 ARG 37 2HG ARG 37 -12.802 2.691 1.105
303 HD2 ARG 37 1HD ARG 37 -14.267 4.602 0.301
304 HD3 ARG 37 2HD ARG 37 -14.714 3.557 -1.048
305 HE ARG 37 HE ARG 37 -15.531 3.303 1.721
306 HH11 ARG 37 1HH1 ARG 37 -15.251 1.680 -1.376
307 HH12 ARG 37 2HH1 ARG 37 -16.450 0.483 -1.000
308 HH21 ARG 37 1HH2 ARG 37 -17.091 1.744 2.212
309 HH22 ARG 37 2HH2 ARG 37 -17.513 0.534 1.041
310 H TYR 38 H TYR 38 -9.589 5.490 1.888
311 HA TYR 38 HA TYR 38 -8.201 7.266 0.192
312 HB2 TYR 38 1HB TYR 38 -7.059 5.887 2.620
313 HB3 TYR 38 2HB TYR 38 -6.620 7.462 1.965
314 HD1 TYR 38 HD1 TYR 38 -8.280 9.346 2.129
315 HD2 TYR 38 HD2 TYR 38 -8.800 5.660 4.183
316 HE1 TYR 38 HE1 TYR 38 -9.903 10.418 3.630
317 HE2 TYR 38 HE2 TYR 38 -10.426 6.719 5.690
318 HH TYR 38 HH TYR 38 -11.799 9.734 5.071
319 H GLU 39 H GLU 39 -6.472 6.999 -1.089
320 HA GLU 39 HA GLU 39 -5.431 4.266 -1.377
321 HB2 GLU 39 1HB GLU 39 -5.402 6.584 -3.312
322 HB3 GLU 39 2HB GLU 39 -4.606 5.045 -3.598
323 HG2 GLU 39 1HG GLU 39 -6.803 3.928 -3.454
324 HG3 GLU 39 2HG GLU 39 -7.557 5.516 -3.288
325 H ALA 40 H ALA 40 -3.197 3.969 -1.560
326 HA ALA 40 HA ALA 40 -1.553 6.262 -0.725
327 HB1 ALA 40 3HB ALA 40 -1.216 3.402 0.189
328 HB2 ALA 40 1HB ALA 40 -1.849 4.725 1.170
329 HB3 ALA 40 2HB ALA 40 -0.174 4.758 0.616
330 H SER 41 H SER 41 0.451 6.437 -1.715
331 HA SER 41 HA SER 41 0.776 4.752 -4.073
332 HB2 SER 41 1HB SER 41 2.499 6.439 -4.735
333 HB3 SER 41 2HB SER 41 0.897 7.125 -4.508
334 HG SER 41 HG SER 41 3.222 7.647 -3.195
335 H PHE 42 H PHE 42 2.200 3.175 -4.155
336 HA PHE 42 HA PHE 42 4.077 2.925 -1.920
337 HB2 PHE 42 1HB PHE 42 2.995 0.851 -3.841
338 HB3 PHE 42 2HB PHE 42 4.193 0.523 -2.591
339 HD1 PHE 42 HD2 PHE 42 0.683 1.268 -3.273
340 HD2 PHE 42 HD1 PHE 42 3.572 0.473 -0.255
341 HE1 PHE 42 HE2 PHE 42 -1.124 0.876 -1.651
342 HE2 PHE 42 HE1 PHE 42 1.768 0.077 1.372
343 HZ PHE 42 HZ PHE 42 -0.582 0.279 0.674
344 H LYS 43 H LYS 43 6.062 3.417 -2.256
345 HA LYS 43 HA LYS 43 7.083 3.674 -4.978
346 HB2 LYS 43 1HB LYS 43 7.272 5.550 -3.334
347 HB3 LYS 43 2HB LYS 43 8.307 4.532 -2.347
348 HG2 LYS 43 1HG LYS 43 9.859 4.391 -4.328
349 HG3 LYS 43 2HG LYS 43 8.882 5.658 -5.073
350 HD2 LYS 43 1HD LYS 43 10.289 5.864 -2.411
351 HD3 LYS 43 2HD LYS 43 10.864 6.557 -3.925
352 HE2 LYS 43 1HE LYS 43 8.229 7.252 -2.630
353 HE3 LYS 43 2HE LYS 43 9.711 8.179 -2.413
354 HZ1 LYS 43 3HZ LYS 43 9.630 8.168 -5.035
355 HZ2 LYS 43 1HZ LYS 43 8.778 9.318 -4.124
356 HZ3 LYS 43 2HZ LYS 43 7.964 7.976 -4.754
357 HA PRO 44 HA PRO 44 9.160 -0.233 -4.215
358 HB2 PRO 44 1HB PRO 44 10.082 -0.562 -6.740
359 HB3 PRO 44 2HB PRO 44 8.403 -0.882 -6.292
360 HG2 PRO 44 1HG PRO 44 9.581 1.501 -7.655
361 HG3 PRO 44 2HG PRO 44 8.052 0.665 -7.978
362 HD2 PRO 44 1HD PRO 44 8.239 2.991 -6.553
363 HD3 PRO 44 2HD PRO 44 6.941 1.804 -6.333
364 H LEU 45 H LEU 45 11.102 -0.403 -3.318
365 HA LEU 45 HA LEU 45 13.132 1.539 -3.507
366 HB2 LEU 45 1HB LEU 45 13.342 -1.359 -2.673
367 HB3 LEU 45 2HB LEU 45 14.532 -0.116 -2.343
368 HG LEU 45 HG LEU 45 11.706 -0.028 -1.290
369 HD11 LEU 45 1HD1 LEU 45 12.674 -0.747 0.848
370 HD12 LEU 45 2HD1 LEU 45 14.220 -1.020 0.044
371 HD13 LEU 45 3HD1 LEU 45 12.811 -1.987 -0.398
372 HD21 LEU 45 3HD2 LEU 45 12.620 1.629 0.245
373 HD22 LEU 45 1HD2 LEU 45 12.840 2.130 -1.432
374 HD23 LEU 45 2HD2 LEU 45 14.201 1.478 -0.522
375 H ASN 46 H ASN 46 12.869 -1.724 -4.861
376 HA ASN 46 HA ASN 46 15.025 -1.156 -6.740
377 HB2 ASN 46 1HB ASN 46 13.398 -3.678 -6.325
378 HB3 ASN 46 2HB ASN 46 14.775 -3.523 -7.409
379 HD21 ASN 46 2HD2 ASN 46 14.371 -5.308 -5.149
380 HD22 ASN 46 1HD2 ASN 46 15.685 -5.001 -4.054
381 H GLY 47 H GLY 47 14.210 0.270 -8.234
382 HA2 GLY 47 1HA GLY 47 13.269 -0.145 -10.553
383 HA3 GLY 47 2HA GLY 47 11.810 -0.623 -9.699
384 H GLY 48 H GLY 48 10.613 0.990 -10.773
385 HA2 GLY 48 1HA GLY 48 10.801 3.598 -9.501
386 HA3 GLY 48 2HA GLY 48 11.011 3.580 -11.248
387 H LEU 49 H LEU 49 9.029 5.069 -10.587
388 HA LEU 49 HA LEU 49 6.836 5.505 -10.869
389 HB2 LEU 49 1HB LEU 49 6.737 2.688 -11.941
390 HB3 LEU 49 2HB LEU 49 5.394 3.814 -11.997
391 HG LEU 49 HG LEU 49 8.061 4.261 -13.339
392 HD11 LEU 49 1HD1 LEU 49 5.412 3.440 -14.519
393 HD12 LEU 49 2HD1 LEU 49 6.830 2.406 -14.350
394 HD13 LEU 49 3HD1 LEU 49 6.882 3.806 -15.421
395 HD21 LEU 49 3HD2 LEU 49 6.889 6.093 -14.478
396 HD22 LEU 49 1HD2 LEU 49 6.948 6.334 -12.732
397 HD23 LEU 49 2HD2 LEU 49 5.460 5.778 -13.495
398 H GLU 50 H GLU 50 5.334 5.716 -9.382
399 HA GLU 50 HA GLU 50 5.312 3.778 -7.200
400 HB2 GLU 50 1HB GLU 50 4.255 6.592 -7.423
401 HB3 GLU 50 2HB GLU 50 3.938 5.556 -6.036
402 HG2 GLU 50 1HG GLU 50 6.380 5.348 -5.699
403 HG3 GLU 50 2HG GLU 50 6.619 6.509 -7.004
404 H LYS 51 H LYS 51 3.787 2.331 -7.010
405 HA LYS 51 HA LYS 51 1.426 2.512 -8.700
406 HB2 LYS 51 1HB LYS 51 2.518 0.314 -6.942
407 HB3 LYS 51 2HB LYS 51 0.971 0.197 -7.771
408 HG2 LYS 51 1HG LYS 51 2.123 0.470 -9.925
409 HG3 LYS 51 2HG LYS 51 3.669 0.528 -9.074
410 HD2 LYS 51 1HD LYS 51 1.753 -1.789 -8.862
411 HD3 LYS 51 2HD LYS 51 3.041 -1.710 -10.065
412 HE2 LYS 51 1HE LYS 51 3.556 -1.419 -7.118
413 HE3 LYS 51 2HE LYS 51 3.540 -2.986 -7.923
414 HZ1 LYS 51 3HZ LYS 51 5.379 -2.399 -9.236
415 HZ2 LYS 51 1HZ LYS 51 5.772 -1.879 -7.676
416 HZ3 LYS 51 2HZ LYS 51 5.269 -0.753 -8.840
417 H THR 52 H THR 52 -0.405 3.332 -8.002
418 HA THR 52 HA THR 52 -0.747 3.833 -5.145
419 HB THR 52 HB THR 52 -2.565 4.749 -7.377
420 HG1 THR 52 HG1 THR 52 0.017 5.427 -6.932
421 HG21 THR 52 3HG2 THR 52 -3.037 6.594 -5.821
422 HG22 THR 52 1HG2 THR 52 -1.945 5.868 -4.639
423 HG23 THR 52 2HG2 THR 52 -3.424 5.028 -5.109
424 H PHE 53 H PHE 53 -1.948 2.493 -3.946
425 HA PHE 53 HA PHE 53 -3.912 0.800 -5.340
426 HB2 PHE 53 1HB PHE 53 -2.137 0.151 -2.989
427 HB3 PHE 53 2HB PHE 53 -3.520 -0.838 -3.446
428 HD1 PHE 53 HD1 PHE 53 -3.556 -1.718 -5.870
429 HD2 PHE 53 HD2 PHE 53 -0.063 -0.252 -3.935
430 HE1 PHE 53 HE1 PHE 53 -2.154 -2.951 -7.472
431 HE2 PHE 53 HE2 PHE 53 1.344 -1.481 -5.534
432 HZ PHE 53 HZ PHE 53 0.300 -2.833 -7.306
433 H ARG 54 H ARG 54 -5.829 0.307 -4.298
434 HA ARG 54 HA ARG 54 -6.936 2.437 -2.751
435 HB2 ARG 54 1HB ARG 54 -9.013 1.101 -2.849
436 HB3 ARG 54 2HB ARG 54 -8.274 1.272 -4.436
437 HG2 ARG 54 1HG ARG 54 -7.361 -0.966 -4.288
438 HG3 ARG 54 2HG ARG 54 -8.008 -1.143 -2.657
439 HD2 ARG 54 1HD ARG 54 -10.284 -0.902 -3.563
440 HD3 ARG 54 2HD ARG 54 -9.609 -0.793 -5.191
441 HE ARG 54 HE ARG 54 -8.688 -3.139 -3.912
442 HH11 ARG 54 1HH1 ARG 54 -11.592 -1.816 -5.382
443 HH12 ARG 54 2HH1 ARG 54 -12.222 -3.378 -5.818
444 HH21 ARG 54 1HH2 ARG 54 -9.507 -5.173 -4.475
445 HH22 ARG 54 2HH2 ARG 54 -11.027 -5.289 -5.318
446 H LEU 55 H LEU 55 -7.422 2.502 -0.609
447 HA LEU 55 HA LEU 55 -6.921 0.078 0.984
448 HB2 LEU 55 1HB LEU 55 -6.203 2.911 1.751
449 HB3 LEU 55 2HB LEU 55 -6.038 1.505 2.784
450 HG LEU 55 HG LEU 55 -4.535 1.899 0.195
451 HD11 LEU 55 1HD1 LEU 55 -2.605 2.376 1.603
452 HD12 LEU 55 2HD1 LEU 55 -3.621 2.280 3.042
453 HD13 LEU 55 3HD1 LEU 55 -3.886 3.561 1.858
454 HD21 LEU 55 3HD2 LEU 55 -4.206 -0.110 2.423
455 HD22 LEU 55 1HD2 LEU 55 -3.163 0.049 1.009
456 HD23 LEU 55 2HD2 LEU 55 -4.846 -0.441 0.812
457 H GLN 56 H GLN 56 -8.309 -0.280 2.676
458 HA GLN 56 HA GLN 56 -10.697 1.398 2.788
459 HB2 GLN 56 1HB GLN 56 -10.759 -1.156 2.754
460 HB3 GLN 56 2HB GLN 56 -10.136 -1.098 4.398
461 HG2 GLN 56 1HG GLN 56 -12.116 0.265 5.032
462 HG3 GLN 56 2HG GLN 56 -12.751 0.011 3.406
463 HE21 GLN 56 2HE2 GLN 56 -13.891 -0.784 5.943
464 HE22 GLN 56 1HE2 GLN 56 -14.067 -2.505 5.885
465 H ALA 57 H ALA 57 -11.518 1.985 5.025
466 HA ALA 57 HA ALA 57 -9.775 3.616 6.397
467 HB1 ALA 57 3HB ALA 57 -12.211 3.750 6.586
468 HB2 ALA 57 1HB ALA 57 -11.440 3.701 8.171
469 HB3 ALA 57 2HB ALA 57 -12.221 2.258 7.524
470 H GLN 58 H GLN 58 -10.454 0.207 6.953
471 HA GLN 58 HA GLN 58 -9.130 -0.113 9.409
472 HB2 GLN 58 1HB GLN 58 -9.379 -2.109 7.149
473 HB3 GLN 58 2HB GLN 58 -9.012 -2.488 8.826
474 HG2 GLN 58 1HG GLN 58 -11.201 -1.756 9.514
475 HG3 GLN 58 2HG GLN 58 -11.572 -1.230 7.873
476 HE21 GLN 58 2HE2 GLN 58 -12.942 -3.170 9.559
477 HE22 GLN 58 1HE2 GLN 58 -12.938 -4.664 8.674
478 H GLN 59 H GLN 59 -7.970 -0.698 6.102
479 HA GLN 59 HA GLN 59 -5.308 -1.313 6.791
480 HB2 GLN 59 1HB GLN 59 -6.516 -0.283 4.220
481 HB3 GLN 59 2HB GLN 59 -4.858 -0.844 4.370
482 HG2 GLN 59 1HG GLN 59 -5.523 -3.058 4.758
483 HG3 GLN 59 2HG GLN 59 -7.190 -2.585 5.089
484 HE21 GLN 59 2HE2 GLN 59 -6.040 -4.492 3.125
485 HE22 GLN 59 1HE2 GLN 59 -6.646 -3.967 1.590
486 H TYR 60 H TYR 60 -6.912 1.676 5.879
487 HA TYR 60 HA TYR 60 -4.709 3.354 5.605
488 HB2 TYR 60 1HB TYR 60 -6.877 4.052 4.878
489 HB3 TYR 60 2HB TYR 60 -7.550 3.863 6.488
490 HD1 TYR 60 HD1 TYR 60 -4.909 5.831 4.713
491 HD2 TYR 60 HD2 TYR 60 -7.880 5.745 7.757
492 HE1 TYR 60 HE1 TYR 60 -4.544 8.227 5.132
493 HE2 TYR 60 HE2 TYR 60 -7.517 8.135 8.190
494 HH TYR 60 HH TYR 60 -5.980 9.856 7.853
495 H HIS 61 H HIS 61 -6.427 2.326 8.511
496 HA HIS 61 HA HIS 61 -4.826 4.063 10.198
497 HB2 HIS 61 1HB HIS 61 -7.226 3.619 10.693
498 HB3 HIS 61 2HB HIS 61 -6.830 1.928 10.969
499 HD1 HIS 61 HD1 HIS 61 -6.481 5.340 12.512
500 HD2 HIS 61 HD2 HIS 61 -5.678 1.362 13.439
501 HE1 HIS 61 HE1 HIS 61 -5.944 5.305 14.972
502 HE2 HIS 61 HE2 HIS 61 -5.400 2.898 15.501
503 H ALA 62 H ALA 62 -4.676 0.913 8.912
504 HA ALA 62 HA ALA 62 -3.115 -0.268 11.029
505 HB1 ALA 62 3HB ALA 62 -2.972 -2.203 9.552
506 HB2 ALA 62 1HB ALA 62 -3.676 -1.262 8.237
507 HB3 ALA 62 2HB ALA 62 -4.634 -1.625 9.673
508 H LEU 63 H LEU 63 -2.494 1.044 7.801
509 HA LEU 63 HA LEU 63 0.382 0.723 8.310
510 HB2 LEU 63 1HB LEU 63 0.679 0.979 5.874
511 HB3 LEU 63 2HB LEU 63 -0.291 -0.412 6.310
512 HG LEU 63 HG LEU 63 -2.250 1.397 5.865
513 HD11 LEU 63 1HD1 LEU 63 -0.030 2.113 3.957
514 HD12 LEU 63 2HD1 LEU 63 -0.719 3.160 5.200
515 HD13 LEU 63 3HD1 LEU 63 -1.708 2.642 3.833
516 HD21 LEU 63 3HD2 LEU 63 -0.879 -0.312 3.793
517 HD22 LEU 63 1HD2 LEU 63 -2.516 0.337 3.675
518 HD23 LEU 63 2HD2 LEU 63 -2.122 -0.841 4.929
519 H THR 64 H THR 64 1.795 2.472 7.757
520 HA THR 64 HA THR 64 0.455 5.073 8.109
521 HB THR 64 HB THR 64 3.218 4.358 9.109
522 HG1 THR 64 HG1 THR 64 1.660 3.066 10.186
523 HG21 THR 64 3HG2 THR 64 2.893 6.318 10.557
524 HG22 THR 64 1HG2 THR 64 1.324 6.606 9.806
525 HG23 THR 64 2HG2 THR 64 2.799 6.749 8.850
526 H VAL 65 H VAL 65 1.297 6.856 6.973
527 HA VAL 65 HA VAL 65 2.766 6.375 4.599
528 HB VAL 65 HB VAL 65 2.006 8.903 6.055
529 HG11 VAL 65 1HG1 VAL 65 2.868 10.170 4.132
530 HG12 VAL 65 2HG1 VAL 65 3.566 8.688 3.481
531 HG13 VAL 65 3HG1 VAL 65 4.160 9.346 5.006
532 HG21 VAL 65 3HG2 VAL 65 0.624 9.232 4.038
533 HG22 VAL 65 1HG2 VAL 65 0.230 7.735 4.884
534 HG23 VAL 65 2HG2 VAL 65 1.204 7.686 3.412
535 H GLY 66 H GLY 66 4.863 6.057 4.374
536 HA2 GLY 66 1HA GLY 66 7.163 6.528 4.828
537 HA3 GLY 66 2HA GLY 66 6.705 7.051 6.445
538 H ASP 67 H ASP 67 4.903 4.411 5.986
539 HA ASP 67 HA ASP 67 6.579 2.772 7.635
540 HB2 ASP 67 1HB ASP 67 4.061 2.856 7.765
541 HB3 ASP 67 2HB ASP 67 4.015 1.986 6.239
542 H GLN 68 H GLN 68 8.405 2.332 6.451
543 HA GLN 68 HA GLN 68 8.317 1.033 3.906
544 HB2 GLN 68 1HB GLN 68 10.546 1.109 5.952
545 HB3 GLN 68 2HB GLN 68 10.707 0.642 4.263
546 HG2 GLN 68 1HG GLN 68 10.155 2.879 3.548
547 HG3 GLN 68 2HG GLN 68 9.847 3.366 5.213
548 HE21 GLN 68 2HE2 GLN 68 11.747 4.405 3.232
549 HE22 GLN 68 1HE2 GLN 68 13.302 4.297 3.974
550 H GLY 69 H GLY 69 7.509 -0.959 3.646
551 HA2 GLY 69 1HA GLY 69 8.336 -3.115 5.372
552 HA3 GLY 69 2HA GLY 69 6.652 -2.660 5.581
553 H THR 70 H THR 70 6.419 -4.954 4.906
554 HA THR 70 HA THR 70 7.047 -5.547 2.142
555 HB THR 70 HB THR 70 5.884 -7.786 2.903
556 HG1 THR 70 HG1 THR 70 5.363 -6.543 4.995
557 HG21 THR 70 3HG2 THR 70 8.590 -6.897 3.909
558 HG22 THR 70 1HG2 THR 70 8.242 -7.563 2.313
559 HG23 THR 70 2HG2 THR 70 8.055 -8.571 3.749
560 H LEU 71 H LEU 71 5.610 -5.879 0.530
561 HA LEU 71 HA LEU 71 2.778 -5.328 1.125
562 HB2 LEU 71 1HB LEU 71 3.841 -3.555 -0.177
563 HB3 LEU 71 2HB LEU 71 4.381 -4.726 -1.363
564 HG LEU 71 HG LEU 71 2.032 -5.185 -1.968
565 HD11 LEU 71 1HD1 LEU 71 1.405 -2.953 -0.042
566 HD12 LEU 71 2HD1 LEU 71 0.997 -4.656 0.170
567 HD13 LEU 71 3HD1 LEU 71 0.260 -3.730 -1.136
568 HD21 LEU 71 3HD2 LEU 71 3.291 -3.523 -3.223
569 HD22 LEU 71 1HD2 LEU 71 2.810 -2.272 -2.076
570 HD23 LEU 71 2HD2 LEU 71 1.596 -3.050 -3.092
571 H SER 72 H SER 72 1.363 -6.853 0.625
572 HA SER 72 HA SER 72 2.286 -9.225 -0.850
573 HB2 SER 72 1HB SER 72 -0.169 -8.870 0.892
574 HB3 SER 72 2HB SER 72 0.444 -10.384 0.233
575 HG SER 72 HG SER 72 1.747 -8.705 2.116
576 H TYR 73 H TYR 73 1.808 -9.159 -2.958
577 HA TYR 73 HA TYR 73 -0.934 -8.492 -3.713
578 HB2 TYR 73 1HB TYR 73 -0.131 -7.166 -5.654
579 HB3 TYR 73 2HB TYR 73 0.251 -6.424 -4.107
580 HD1 TYR 73 HD1 TYR 73 2.575 -6.381 -3.293
581 HD2 TYR 73 HD2 TYR 73 1.608 -7.919 -7.142
582 HE1 TYR 73 HE1 TYR 73 4.936 -6.217 -3.945
583 HE2 TYR 73 HE2 TYR 73 3.972 -7.757 -7.804
584 HH TYR 73 HH TYR 73 6.460 -7.328 -5.616
585 H LYS 74 H LYS 74 -1.600 -9.381 -5.712
586 HA LYS 74 HA LYS 74 0.198 -11.435 -6.824
587 HB2 LYS 74 1HB LYS 74 -2.796 -11.597 -6.424
588 HB3 LYS 74 2HB LYS 74 -1.856 -12.763 -7.345
589 HG2 LYS 74 1HG LYS 74 -0.625 -13.391 -5.359
590 HG3 LYS 74 2HG LYS 74 -1.466 -12.154 -4.422
591 HD2 LYS 74 1HD LYS 74 -3.590 -13.292 -4.809
592 HD3 LYS 74 2HD LYS 74 -2.769 -14.513 -5.781
593 HE2 LYS 74 1HE LYS 74 -1.477 -15.213 -3.839
594 HE3 LYS 74 2HE LYS 74 -2.237 -13.957 -2.864
595 HZ1 LYS 74 3HZ LYS 74 -3.515 -16.369 -4.028
596 HZ2 LYS 74 1HZ LYS 74 -4.406 -15.070 -3.392
597 HZ3 LYS 74 2HZ LYS 74 -3.363 -15.951 -2.393
598 H GLY 75 H GLY 75 0.906 -10.070 -8.455
599 HA2 GLY 75 1HA GLY 75 0.816 -9.142 -10.571
600 HA3 GLY 75 2HA GLY 75 -0.862 -9.666 -10.683
601 H THR 76 H THR 76 -2.308 -8.082 -10.770
602 HA THR 76 HA THR 76 -1.591 -5.464 -9.671
603 HB THR 76 HB THR 76 -3.673 -4.696 -10.891
604 HG1 THR 76 HG1 THR 76 -3.514 -7.028 -12.450
605 HG21 THR 76 3HG2 THR 76 -2.593 -4.715 -13.091
606 HG22 THR 76 1HG2 THR 76 -1.480 -5.965 -12.534
607 HG23 THR 76 2HG2 THR 76 -1.437 -4.358 -11.810
608 H ARG 77 H ARG 77 -2.877 -8.136 -8.494
609 HA ARG 77 HA ARG 77 -5.283 -7.061 -7.272
610 HB2 ARG 77 1HB ARG 77 -3.932 -9.742 -6.909
611 HB3 ARG 77 2HB ARG 77 -5.529 -9.305 -6.316
612 HG2 ARG 77 1HG ARG 77 -6.421 -9.209 -8.492
613 HG3 ARG 77 2HG ARG 77 -4.819 -9.243 -9.231
614 HD2 ARG 77 1HD ARG 77 -4.502 -11.524 -8.307
615 HD3 ARG 77 2HD ARG 77 -6.166 -11.479 -7.723
616 HE ARG 77 HE ARG 77 -6.930 -11.733 -9.891
617 HH11 ARG 77 1HH1 ARG 77 -3.452 -11.285 -9.863
618 HH12 ARG 77 2HH1 ARG 77 -3.248 -11.756 -11.520
619 HH21 ARG 77 1HH2 ARG 77 -6.663 -12.354 -12.072
620 HH22 ARG 77 2HH2 ARG 77 -5.077 -12.370 -12.781
621 H PHE 78 H PHE 78 -4.978 -5.705 -5.635
622 HA PHE 78 HA PHE 78 -2.728 -5.869 -3.864
623 HB2 PHE 78 1HB PHE 78 -3.767 -3.709 -4.427
624 HB3 PHE 78 2HB PHE 78 -5.269 -4.229 -3.677
625 HD1 PHE 78 HD1 PHE 78 -1.750 -3.340 -3.014
626 HD2 PHE 78 HD2 PHE 78 -5.600 -4.044 -1.345
627 HE1 PHE 78 HE1 PHE 78 -0.990 -2.406 -0.869
628 HE2 PHE 78 HE2 PHE 78 -4.843 -3.116 0.803
629 HZ PHE 78 HZ PHE 78 -2.533 -2.289 1.044
630 H VAL 79 H VAL 79 -2.616 -7.544 -2.501
631 HA VAL 79 HA VAL 79 -5.007 -8.693 -1.345
632 HB VAL 79 HB VAL 79 -2.097 -9.377 -0.875
633 HG11 VAL 79 1HG1 VAL 79 -4.591 -10.903 -0.126
634 HG12 VAL 79 2HG1 VAL 79 -3.516 -10.061 0.991
635 HG13 VAL 79 3HG1 VAL 79 -2.930 -11.458 0.089
636 HG21 VAL 79 3HG2 VAL 79 -4.166 -10.669 -2.653
637 HG22 VAL 79 1HG2 VAL 79 -2.551 -11.305 -2.338
638 HG23 VAL 79 2HG2 VAL 79 -2.745 -9.768 -3.179
639 H GLY 80 H GLY 80 -2.101 -6.997 -0.195
640 HA2 GLY 80 1HA GLY 80 -3.302 -5.318 1.588
641 HA3 GLY 80 2HA GLY 80 -3.086 -6.805 2.499
642 H PHE 81 H PHE 81 -1.879 -4.210 2.969
643 HA PHE 81 HA PHE 81 0.943 -4.687 2.378
644 HB2 PHE 81 1HB PHE 81 0.055 -2.407 2.047
645 HB3 PHE 81 2HB PHE 81 -0.407 -2.342 3.743
646 HD1 PHE 81 HD1 PHE 81 2.506 -2.624 1.477
647 HD2 PHE 81 HD2 PHE 81 1.109 -1.635 5.370
648 HE1 PHE 81 HE1 PHE 81 4.720 -1.710 2.038
649 HE2 PHE 81 HE2 PHE 81 3.318 -0.719 5.939
650 HZ PHE 81 HZ PHE 81 5.130 -0.758 4.271
651 H VAL 82 H VAL 82 2.349 -5.431 3.873
652 HA VAL 82 HA VAL 82 1.263 -5.925 6.569
653 HB VAL 82 HB VAL 82 3.326 -7.579 5.102
654 HG11 VAL 82 1HG1 VAL 82 3.030 -9.173 6.932
655 HG12 VAL 82 2HG1 VAL 82 1.904 -8.065 7.715
656 HG13 VAL 82 3HG1 VAL 82 3.598 -7.613 7.528
657 HG21 VAL 82 3HG2 VAL 82 0.412 -8.145 5.626
658 HG22 VAL 82 1HG2 VAL 82 1.569 -9.295 4.958
659 HG23 VAL 82 2HG2 VAL 82 1.155 -7.838 4.057
660 H SER 83 H SER 83 2.133 -4.454 7.883
661 HA SER 83 HA SER 83 4.717 -3.322 7.537
662 HB2 SER 83 1HB SER 83 3.029 -3.400 10.050
663 HB3 SER 83 2HB SER 83 4.329 -2.265 9.687
664 HG SER 83 HG SER 83 3.039 -1.143 8.438
665 H ARG 84 H ARG 84 6.611 -3.711 8.766
666 HA ARG 84 HA ARG 84 6.660 -6.403 9.965
667 HB2 ARG 84 1HB ARG 84 8.033 -5.455 7.700
668 HB3 ARG 84 2HB ARG 84 9.239 -5.580 8.973
669 HG2 ARG 84 1HG ARG 84 8.964 -7.866 9.192
670 HG3 ARG 84 2HG ARG 84 7.358 -7.844 8.464
671 HD2 ARG 84 1HD ARG 84 8.326 -7.368 6.285
672 HD3 ARG 84 2HD ARG 84 9.939 -7.303 6.994
673 HE ARG 84 HE ARG 84 9.991 -9.600 7.053
674 HH11 ARG 84 1HH1 ARG 84 6.759 -8.541 6.183
675 HH12 ARG 84 2HH1 ARG 84 6.204 -10.147 5.832
676 HH21 ARG 84 1HH2 ARG 84 9.253 -11.705 6.534
677 HH22 ARG 84 2HH2 ARG 84 7.602 -11.928 6.034
678 H THR 85 H THR 85 6.676 -6.045 12.080
679 HA THR 85 HA THR 85 7.761 -3.840 13.418
680 HB THR 85 HB THR 85 7.395 -6.600 14.592
681 HG1 THR 85 HG1 THR 85 5.380 -6.347 13.999
682 HG21 THR 85 3HG2 THR 85 8.473 -4.980 16.069
683 HG22 THR 85 1HG2 THR 85 6.844 -5.347 16.637
684 HG23 THR 85 2HG2 THR 85 7.162 -3.833 15.788
685 HA PRO 86 HA PRO 86 12.157 -4.508 13.184
686 HB2 PRO 86 1HB PRO 86 12.669 -3.343 15.691
687 HB3 PRO 86 2HB PRO 86 12.673 -2.517 14.131
688 HG2 PRO 86 1HG PRO 86 10.531 -2.664 16.194
689 HG3 PRO 86 2HG PRO 86 10.960 -1.330 15.107
690 HD2 PRO 86 1HD PRO 86 8.798 -2.837 14.659
691 HD3 PRO 86 2HD PRO 86 9.805 -2.256 13.315
692 H ASP 87 H ASP 87 13.278 -6.251 13.643
693 HA ASP 87 HA ASP 87 12.341 -8.213 15.459
694 HB2 ASP 87 1HB ASP 87 14.452 -9.419 14.805
695 HB3 ASP 87 2HB ASP 87 13.430 -8.935 13.456
696 H ASN 88 H ASN 88 13.650 -9.229 17.141
697 HA ASN 88 HA ASN 88 15.245 -7.249 18.631
698 HB2 ASN 88 1HB ASN 88 13.203 -9.197 19.730
699 HB3 ASN 88 2HB ASN 88 14.296 -8.239 20.720
700 HD21 ASN 88 2HD2 ASN 88 11.455 -8.216 18.737
701 HD22 ASN 88 1HD2 ASN 88 10.941 -6.614 19.149
702 H GLU 89 H GLU 89 17.160 -7.945 19.380
703 HA GLU 89 HA GLU 89 18.123 -10.559 18.797
704 HB2 GLU 89 1HB GLU 89 19.599 -8.582 18.902
705 HB3 GLU 89 2HB GLU 89 19.268 -8.429 20.622
706 HG2 GLU 89 1HG GLU 89 21.414 -9.447 20.300
707 HG3 GLU 89 2HG GLU 89 20.304 -10.629 20.991
708 H LEU 90 H LEU 90 16.976 -8.914 21.680
709 HA LEU 90 HA LEU 90 17.167 -11.381 23.229
710 HB2 LEU 90 1HB LEU 90 17.987 -9.243 24.196
711 HB3 LEU 90 2HB LEU 90 16.356 -8.607 24.105
712 HG LEU 90 HG LEU 90 15.595 -10.314 25.701
713 HD11 LEU 90 1HD1 LEU 90 17.230 -11.696 26.886
714 HD12 LEU 90 2HD1 LEU 90 18.505 -11.102 25.819
715 HD13 LEU 90 3HD1 LEU 90 17.186 -12.075 25.163
716 HD21 LEU 90 3HD2 LEU 90 16.304 -8.151 26.544
717 HD22 LEU 90 1HD2 LEU 90 17.975 -8.710 26.632
718 HD23 LEU 90 2HD2 LEU 90 16.748 -9.426 27.679
719 H GLU 91 H GLU 91 15.532 -12.705 22.856
720 HA GLU 91 HA GLU 91 12.970 -11.997 21.967
721 HB2 GLU 91 1HB GLU 91 14.056 -14.245 21.770
722 HB3 GLU 91 2HB GLU 91 13.780 -14.486 23.487
723 HG2 GLU 91 1HG GLU 91 11.497 -13.909 21.646
724 HG3 GLU 91 2HG GLU 91 12.168 -15.533 21.770
725 H HIS 92 H HIS 92 13.781 -13.334 25.175
726 HA HIS 92 HA HIS 92 11.485 -11.947 26.313
727 HB2 HIS 92 1HB HIS 92 13.106 -14.262 27.065
728 HB3 HIS 92 2HB HIS 92 12.791 -13.178 28.416
729 HD1 HIS 92 HD1 HIS 92 10.912 -15.182 25.794
730 HD2 HIS 92 HD2 HIS 92 10.292 -13.374 29.495
731 HE1 HIS 92 HE1 HIS 92 8.626 -15.922 26.546
732 HE2 HIS 92 HE2 HIS 92 8.296 -14.876 28.817
733 H HIS 93 H HIS 93 11.829 -9.869 26.689
734 HA HIS 93 HA HIS 93 14.415 -8.767 27.102
735 HB2 HIS 93 1HB HIS 93 11.643 -7.606 27.291
736 HB3 HIS 93 2HB HIS 93 13.081 -6.658 27.649
737 HD1 HIS 93 HD1 HIS 93 11.104 -8.077 24.854
738 HD2 HIS 93 HD2 HIS 93 14.707 -6.074 25.408
739 HE1 HIS 93 HE1 HIS 93 11.814 -7.311 22.566
740 HE2 HIS 93 HE2 HIS 93 13.872 -5.904 22.966
741 H HIS 94 H HIS 94 15.418 -8.072 28.867
742 HA HIS 94 HA HIS 94 14.045 -8.271 31.463
743 HB2 HIS 94 1HB HIS 94 16.911 -9.062 30.858
744 HB3 HIS 94 2HB HIS 94 16.228 -8.945 32.476
745 HD1 HIS 94 HD1 HIS 94 17.050 -11.388 30.090
746 HD2 HIS 94 HD2 HIS 94 13.754 -10.763 32.555
747 HE1 HIS 94 HE1 HIS 94 15.888 -13.618 30.256
748 HE2 HIS 94 HE2 HIS 94 13.814 -13.179 31.628
749 H HIS 95 H HIS 95 14.111 -6.393 32.562
750 HA HIS 95 HA HIS 95 15.429 -4.138 31.399
751 HB2 HIS 95 1HB HIS 95 13.230 -4.072 32.656
752 HB3 HIS 95 2HB HIS 95 14.162 -4.262 34.138
753 HD1 HIS 95 HD1 HIS 95 13.951 -2.009 35.206
754 HD2 HIS 95 HD2 HIS 95 14.977 -1.770 31.180
755 HE1 HIS 95 HE1 HIS 95 14.426 0.422 34.765
756 HE2 HIS 95 HE2 HIS 95 14.935 0.564 32.298
757 H HIS 96 H HIS 96 17.568 -4.805 31.385
758 HA HIS 96 HA HIS 96 19.379 -4.067 33.285
759 HB2 HIS 96 1HB HIS 96 18.318 -5.705 34.817
760 HB3 HIS 96 2HB HIS 96 18.642 -6.989 33.659
761 HD1 HIS 96 HD1 HIS 96 20.838 -8.163 33.869
762 HD2 HIS 96 HD2 HIS 96 20.746 -4.570 35.962
763 HE1 HIS 96 HE1 HIS 96 22.976 -8.089 35.190
764 HE2 HIS 96 HE2 HIS 96 22.770 -6.031 36.630
765 H HIS 97 H HIS 97 18.348 -6.229 30.819
766 HA HIS 97 HA HIS 97 19.313 -7.218 29.032
767 HB2 HIS 97 1HB HIS 97 21.589 -5.321 29.636
768 HB3 HIS 97 2HB HIS 97 21.526 -6.361 28.219
769 HD1 HIS 97 HD1 HIS 97 21.236 -3.038 28.773
770 HD2 HIS 97 HD2 HIS 97 18.581 -5.765 27.101
771 HE1 HIS 97 HE1 HIS 97 19.648 -1.670 27.376
772 HE2 HIS 97 HE2 HIS 97 18.066 -3.343 26.343
Start of MODEL 16
1 H1 MET 1 1H MET 1 7.079 -21.161 -6.812
2 H2 MET 1 2H MET 1 8.636 -21.452 -7.412
3 H3 MET 1 3H MET 1 8.137 -19.864 -7.086
4 HA MET 1 HA MET 1 8.554 -22.026 -5.109
5 HB2 MET 1 1HB MET 1 10.622 -21.012 -6.033
6 HB3 MET 1 2HB MET 1 10.045 -19.428 -5.537
7 HG2 MET 1 1HG MET 1 10.098 -20.124 -3.207
8 HG3 MET 1 2HG MET 1 10.638 -21.729 -3.690
9 HE1 MET 1 3HE MET 1 12.641 -20.984 -6.083
10 HE2 MET 1 1HE MET 1 13.002 -22.198 -4.856
11 HE3 MET 1 2HE MET 1 14.176 -20.931 -5.215
12 H ALA 2 H ALA 2 7.703 -18.610 -5.643
13 HA ALA 2 HA ALA 2 6.241 -18.709 -3.087
14 HB1 ALA 2 3HB ALA 2 8.246 -17.329 -2.852
15 HB2 ALA 2 1HB ALA 2 6.779 -16.358 -2.726
16 HB3 ALA 2 2HB ALA 2 7.726 -16.337 -4.215
17 HA PRO 3 HA PRO 3 2.934 -17.791 -6.050
18 HB2 PRO 3 1HB PRO 3 1.304 -18.150 -3.616
19 HB3 PRO 3 2HB PRO 3 1.192 -18.976 -5.172
20 HG2 PRO 3 1HG PRO 3 2.118 -20.226 -2.989
21 HG3 PRO 3 2HG PRO 3 2.780 -20.554 -4.602
22 HD2 PRO 3 1HD PRO 3 3.907 -18.867 -2.399
23 HD3 PRO 3 2HD PRO 3 4.738 -19.986 -3.501
24 H LEU 4 H LEU 4 3.126 -16.643 -2.709
25 HA LEU 4 HA LEU 4 1.940 -14.084 -3.475
26 HB2 LEU 4 1HB LEU 4 1.164 -15.254 -1.413
27 HB3 LEU 4 2HB LEU 4 2.778 -15.092 -0.754
28 HG LEU 4 HG LEU 4 2.542 -12.638 -0.814
29 HD11 LEU 4 1HD1 LEU 4 0.340 -11.654 -1.196
30 HD12 LEU 4 2HD1 LEU 4 -0.296 -13.239 -1.640
31 HD13 LEU 4 3HD1 LEU 4 0.935 -12.470 -2.642
32 HD21 LEU 4 3HD2 LEU 4 0.960 -12.491 1.049
33 HD22 LEU 4 1HD2 LEU 4 2.028 -13.882 1.215
34 HD23 LEU 4 2HD2 LEU 4 0.366 -14.108 0.671
35 H GLN 5 H GLN 5 3.394 -12.741 -4.357
36 HA GLN 5 HA GLN 5 6.175 -12.902 -3.622
37 HB2 GLN 5 1HB GLN 5 4.645 -11.190 -5.571
38 HB3 GLN 5 2HB GLN 5 6.351 -10.918 -5.232
39 HG2 GLN 5 1HG GLN 5 5.167 -13.487 -6.267
40 HG3 GLN 5 2HG GLN 5 6.004 -12.276 -7.239
41 HE21 GLN 5 2HE2 GLN 5 6.621 -15.117 -6.667
42 HE22 GLN 5 1HE2 GLN 5 8.235 -15.113 -6.036
43 H GLN 6 H GLN 6 6.873 -12.034 -1.847
44 HA GLN 6 HA GLN 6 5.593 -9.597 -0.842
45 HB2 GLN 6 1HB GLN 6 7.199 -11.724 0.575
46 HB3 GLN 6 2HB GLN 6 6.711 -10.212 1.328
47 HG2 GLN 6 1HG GLN 6 4.350 -10.811 0.900
48 HG3 GLN 6 2HG GLN 6 4.896 -12.369 0.278
49 HE21 GLN 6 2HE2 GLN 6 3.199 -11.692 2.584
50 HE22 GLN 6 1HE2 GLN 6 3.958 -12.434 3.956
51 H LYS 7 H LYS 7 6.635 -7.825 -1.348
52 HA LYS 7 HA LYS 7 9.552 -7.775 -0.996
53 HB2 LYS 7 1HB LYS 7 8.856 -7.838 -3.451
54 HB3 LYS 7 2HB LYS 7 8.128 -6.260 -3.189
55 HG2 LYS 7 1HG LYS 7 10.355 -5.423 -2.462
56 HG3 LYS 7 2HG LYS 7 11.036 -6.983 -2.923
57 HD2 LYS 7 1HD LYS 7 10.134 -6.604 -5.224
58 HD3 LYS 7 2HD LYS 7 9.681 -4.976 -4.716
59 HE2 LYS 7 1HE LYS 7 12.451 -6.151 -4.861
60 HE3 LYS 7 2HE LYS 7 11.787 -4.847 -5.843
61 HZ1 LYS 7 3HZ LYS 7 13.136 -3.842 -4.207
62 HZ2 LYS 7 1HZ LYS 7 12.475 -4.784 -2.959
63 HZ3 LYS 7 2HZ LYS 7 11.542 -3.583 -3.699
64 H GLN 8 H GLN 8 10.316 -5.904 -0.019
65 HA GLN 8 HA GLN 8 8.307 -4.392 1.377
66 HB2 GLN 8 1HB GLN 8 11.322 -4.214 1.459
67 HB3 GLN 8 2HB GLN 8 10.234 -3.313 2.509
68 HG2 GLN 8 1HG GLN 8 9.322 -5.494 3.307
69 HG3 GLN 8 2HG GLN 8 10.590 -6.295 2.385
70 HE21 GLN 8 2HE2 GLN 8 10.055 -6.292 5.239
71 HE22 GLN 8 1HE2 GLN 8 11.498 -5.719 6.005
72 H VAL 9 H VAL 9 7.634 -2.403 1.001
73 HA VAL 9 HA VAL 9 8.927 -0.860 -1.154
74 HB VAL 9 HB VAL 9 6.629 -0.072 -1.809
75 HG11 VAL 9 1HG1 VAL 9 7.176 -3.023 -2.132
76 HG12 VAL 9 2HG1 VAL 9 7.829 -1.731 -3.137
77 HG13 VAL 9 3HG1 VAL 9 6.096 -2.058 -3.140
78 HG21 VAL 9 3HG2 VAL 9 5.745 -2.396 -0.099
79 HG22 VAL 9 1HG2 VAL 9 4.711 -1.464 -1.182
80 HG23 VAL 9 2HG2 VAL 9 5.441 -0.689 0.224
81 H VAL 10 H VAL 10 7.933 1.447 -1.173
82 HA VAL 10 HA VAL 10 7.920 2.430 1.602
83 HB VAL 10 HB VAL 10 8.375 3.998 -0.947
84 HG11 VAL 10 1HG1 VAL 10 7.484 5.363 0.854
85 HG12 VAL 10 2HG1 VAL 10 9.175 5.767 0.557
86 HG13 VAL 10 3HG1 VAL 10 8.735 4.773 1.947
87 HG21 VAL 10 3HG2 VAL 10 10.187 2.414 -0.574
88 HG22 VAL 10 1HG2 VAL 10 10.384 3.012 1.073
89 HG23 VAL 10 2HG2 VAL 10 10.730 4.069 -0.296
90 H VAL 11 H VAL 11 6.011 3.093 2.409
91 HA VAL 11 HA VAL 11 3.747 3.553 0.696
92 HB VAL 11 HB VAL 11 4.032 4.182 3.642
93 HG11 VAL 11 1HG1 VAL 11 1.584 4.083 3.665
94 HG12 VAL 11 2HG1 VAL 11 1.579 3.818 1.922
95 HG13 VAL 11 3HG1 VAL 11 2.169 5.343 2.579
96 HG21 VAL 11 3HG2 VAL 11 2.916 2.026 4.018
97 HG22 VAL 11 1HG2 VAL 11 4.477 1.829 3.219
98 HG23 VAL 11 2HG2 VAL 11 2.988 1.698 2.285
99 H SER 12 H SER 12 4.063 5.247 -0.637
100 HA SER 12 HA SER 12 5.620 7.492 -0.115
101 HB2 SER 12 1HB SER 12 3.295 7.331 -2.044
102 HB3 SER 12 2HB SER 12 4.674 8.427 -2.139
103 HG SER 12 HG SER 12 5.197 6.808 -3.488
104 H ASN 13 H ASN 13 2.065 7.368 -0.304
105 HA ASN 13 HA ASN 13 1.659 8.944 1.997
106 HB2 ASN 13 1HB ASN 13 2.627 10.676 0.418
107 HB3 ASN 13 2HB ASN 13 1.206 10.442 -0.593
108 HD21 ASN 13 2HD2 ASN 13 0.474 12.521 -0.344
109 HD22 ASN 13 1HD2 ASN 13 -0.177 13.114 1.147
110 H LYS 14 H LYS 14 -0.537 9.294 2.422
111 HA LYS 14 HA LYS 14 -2.411 7.648 0.956
112 HB2 LYS 14 1HB LYS 14 -4.018 8.647 2.704
113 HB3 LYS 14 2HB LYS 14 -2.745 7.583 3.291
114 HG2 LYS 14 1HG LYS 14 -1.781 9.207 4.491
115 HG3 LYS 14 2HG LYS 14 -1.973 10.402 3.208
116 HD2 LYS 14 1HD LYS 14 -4.150 9.494 5.089
117 HD3 LYS 14 2HD LYS 14 -3.232 10.994 5.239
118 HE2 LYS 14 1HE LYS 14 -4.071 11.723 3.061
119 HE3 LYS 14 2HE LYS 14 -4.980 10.222 2.904
120 HZ1 LYS 14 3HZ LYS 14 -6.243 10.857 4.883
121 HZ2 LYS 14 1HZ LYS 14 -6.404 11.997 3.635
122 HZ3 LYS 14 2HZ LYS 14 -5.396 12.321 4.963
123 H ARG 15 H ARG 15 -3.615 8.406 -0.702
124 HA ARG 15 HA ARG 15 -3.801 11.334 -0.972
125 HB2 ARG 15 1HB ARG 15 -3.414 9.292 -3.168
126 HB3 ARG 15 2HB ARG 15 -3.677 11.012 -3.425
127 HG2 ARG 15 1HG ARG 15 -1.602 11.518 -2.251
128 HG3 ARG 15 2HG ARG 15 -1.341 9.798 -1.960
129 HD2 ARG 15 1HD ARG 15 -1.237 9.411 -4.376
130 HD3 ARG 15 2HD ARG 15 -1.494 11.132 -4.661
131 HE ARG 15 HE ARG 15 0.673 11.279 -3.178
132 HH11 ARG 15 1HH1 ARG 15 -0.025 9.002 -5.754
133 HH12 ARG 15 2HH1 ARG 15 1.645 8.755 -6.153
134 HH21 ARG 15 1HH2 ARG 15 2.885 10.918 -3.707
135 HH22 ARG 15 2HH2 ARG 15 3.279 9.815 -5.004
136 H GLU 16 H GLU 16 -5.723 12.196 -1.501
137 HA GLU 16 HA GLU 16 -8.012 10.407 -1.663
138 HB2 GLU 16 1HB GLU 16 -7.864 13.426 -1.541
139 HB3 GLU 16 2HB GLU 16 -9.359 12.514 -1.652
140 HG2 GLU 16 1HG GLU 16 -9.200 13.013 0.595
141 HG3 GLU 16 2HG GLU 16 -8.591 11.365 0.505
142 H LYS 17 H LYS 17 -7.952 9.489 -3.634
143 HA LYS 17 HA LYS 17 -7.510 11.124 -6.003
144 HB2 LYS 17 1HB LYS 17 -6.492 8.796 -5.572
145 HB3 LYS 17 2HB LYS 17 -8.093 8.167 -5.929
146 HG2 LYS 17 1HG LYS 17 -7.798 9.631 -8.105
147 HG3 LYS 17 2HG LYS 17 -6.087 9.404 -7.733
148 HD2 LYS 17 1HD LYS 17 -6.776 7.639 -9.203
149 HD3 LYS 17 2HD LYS 17 -6.525 6.948 -7.597
150 HE2 LYS 17 1HE LYS 17 -9.012 7.290 -7.226
151 HE3 LYS 17 2HE LYS 17 -9.126 7.608 -8.955
152 HZ1 LYS 17 3HZ LYS 17 -8.118 5.394 -9.328
153 HZ2 LYS 17 1HZ LYS 17 -9.626 5.330 -8.551
154 HZ3 LYS 17 2HZ LYS 17 -8.200 5.109 -7.657
155 HA PRO 18 HA PRO 18 -11.782 11.936 -7.004
156 HB2 PRO 18 1HB PRO 18 -10.812 10.965 -9.668
157 HB3 PRO 18 2HB PRO 18 -11.825 12.363 -9.285
158 HG2 PRO 18 1HG PRO 18 -9.222 12.657 -9.792
159 HG3 PRO 18 2HG PRO 18 -10.033 13.630 -8.550
160 HD2 PRO 18 1HD PRO 18 -8.108 11.407 -8.243
161 HD3 PRO 18 2HD PRO 18 -8.474 12.745 -7.139
162 H VAL 19 H VAL 19 -13.320 10.602 -6.392
163 HA VAL 19 HA VAL 19 -13.221 7.771 -7.056
164 HB VAL 19 HB VAL 19 -15.193 9.257 -5.305
165 HG11 VAL 19 1HG1 VAL 19 -15.713 7.041 -4.406
166 HG12 VAL 19 2HG1 VAL 19 -14.610 6.312 -5.572
167 HG13 VAL 19 3HG1 VAL 19 -16.062 7.143 -6.131
168 HG21 VAL 19 3HG2 VAL 19 -12.939 9.448 -4.412
169 HG22 VAL 19 1HG2 VAL 19 -12.724 7.702 -4.539
170 HG23 VAL 19 2HG2 VAL 19 -13.910 8.364 -3.414
171 H ASN 20 H ASN 20 -14.793 6.723 -8.272
172 HA ASN 20 HA ASN 20 -15.765 8.289 -10.423
173 HB2 ASN 20 1HB ASN 20 -16.151 5.378 -9.741
174 HB3 ASN 20 2HB ASN 20 -16.734 6.116 -11.230
175 HD21 ASN 20 2HD2 ASN 20 -15.254 6.785 -12.788
176 HD22 ASN 20 1HD2 ASN 20 -13.608 6.252 -12.771
177 H ASP 21 H ASP 21 -17.290 7.125 -7.506
178 HA ASP 21 HA ASP 21 -19.934 7.672 -8.558
179 HB2 ASP 21 1HB ASP 21 -20.752 7.111 -6.276
180 HB3 ASP 21 2HB ASP 21 -19.805 5.831 -7.021
181 H ARG 22 H ARG 22 -17.473 9.542 -7.382
182 HA ARG 22 HA ARG 22 -19.304 11.637 -6.450
183 HB2 ARG 22 1HB ARG 22 -16.455 11.041 -6.014
184 HB3 ARG 22 2HB ARG 22 -16.793 12.737 -6.328
185 HG2 ARG 22 1HG ARG 22 -16.783 12.312 -3.956
186 HG3 ARG 22 2HG ARG 22 -18.408 12.749 -4.484
187 HD2 ARG 22 1HD ARG 22 -19.030 10.378 -4.500
188 HD3 ARG 22 2HD ARG 22 -17.407 9.954 -3.955
189 HE ARG 22 HE ARG 22 -18.434 11.792 -2.131
190 HH11 ARG 22 1HH1 ARG 22 -19.143 8.547 -3.256
191 HH12 ARG 22 2HH1 ARG 22 -19.872 8.055 -1.747
192 HH21 ARG 22 1HH2 ARG 22 -19.356 11.142 -0.138
193 HH22 ARG 22 2HH2 ARG 22 -19.982 9.530 0.019
194 H ARG 23 H ARG 23 -20.158 11.723 -8.645
195 HA ARG 23 HA ARG 23 -20.387 12.566 -10.727
196 HB2 ARG 23 1HB ARG 23 -19.750 14.727 -9.995
197 HB3 ARG 23 2HB ARG 23 -18.061 14.264 -9.843
198 HG2 ARG 23 1HG ARG 23 -17.831 14.126 -12.232
199 HG3 ARG 23 2HG ARG 23 -19.556 14.426 -12.449
200 HD2 ARG 23 1HD ARG 23 -17.855 16.396 -10.978
201 HD3 ARG 23 2HD ARG 23 -17.860 16.371 -12.740
202 HE ARG 23 HE ARG 23 -20.396 16.581 -12.435
203 HH11 ARG 23 1HH1 ARG 23 -18.051 17.949 -10.238
204 HH12 ARG 23 2HH1 ARG 23 -19.033 19.320 -9.822
205 HH21 ARG 23 1HH2 ARG 23 -21.708 18.372 -11.914
206 HH22 ARG 23 2HH2 ARG 23 -21.124 19.567 -10.787
207 H SER 24 H SER 24 -20.095 11.109 -12.231
208 HA SER 24 HA SER 24 -17.611 9.642 -12.377
209 HB2 SER 24 1HB SER 24 -20.043 9.272 -14.125
210 HB3 SER 24 2HB SER 24 -18.814 8.079 -13.700
211 HG SER 24 HG SER 24 -19.564 8.382 -11.466
212 H ARG 25 H ARG 25 -18.693 12.448 -13.781
213 HA ARG 25 HA ARG 25 -17.134 11.967 -16.231
214 HB2 ARG 25 1HB ARG 25 -19.643 12.339 -16.494
215 HB3 ARG 25 2HB ARG 25 -19.352 13.992 -15.965
216 HG2 ARG 25 1HG ARG 25 -17.827 14.323 -17.846
217 HG3 ARG 25 2HG ARG 25 -18.137 12.670 -18.381
218 HD2 ARG 25 1HD ARG 25 -20.558 13.269 -18.547
219 HD3 ARG 25 2HD ARG 25 -20.107 14.943 -18.220
220 HE ARG 25 HE ARG 25 -18.951 13.491 -20.506
221 HH11 ARG 25 1HH1 ARG 25 -20.786 16.176 -19.209
222 HH12 ARG 25 2HH1 ARG 25 -20.884 17.019 -20.724
223 HH21 ARG 25 1HH2 ARG 25 -19.052 14.595 -22.500
224 HH22 ARG 25 2HH2 ARG 25 -19.864 16.130 -22.600
225 H GLN 26 H GLN 26 -15.395 13.185 -16.497
226 HA GLN 26 HA GLN 26 -14.715 15.095 -14.442
227 HB2 GLN 26 1HB GLN 26 -13.065 13.480 -15.255
228 HB3 GLN 26 2HB GLN 26 -13.185 14.157 -16.872
229 HG2 GLN 26 1HG GLN 26 -12.360 16.314 -15.967
230 HG3 GLN 26 2HG GLN 26 -12.112 15.514 -14.414
231 HE21 GLN 26 2HE2 GLN 26 -9.907 15.890 -14.462
232 HE22 GLN 26 1HE2 GLN 26 -8.847 15.024 -15.518
233 H GLN 27 H GLN 27 -14.986 17.212 -14.551
234 HA GLN 27 HA GLN 27 -15.572 18.487 -17.124
235 HB2 GLN 27 1HB GLN 27 -16.325 20.399 -15.793
236 HB3 GLN 27 2HB GLN 27 -17.121 18.926 -15.255
237 HG2 GLN 27 1HG GLN 27 -15.758 18.791 -13.317
238 HG3 GLN 27 2HG GLN 27 -14.684 20.058 -13.907
239 HE21 GLN 27 2HE2 GLN 27 -15.322 22.201 -13.773
240 HE22 GLN 27 1HE2 GLN 27 -16.660 22.706 -12.792
241 H GLU 28 H GLU 28 -14.711 20.944 -17.020
242 HA GLU 28 HA GLU 28 -11.822 20.822 -16.773
243 HB2 GLU 28 1HB GLU 28 -13.408 22.167 -18.485
244 HB3 GLU 28 2HB GLU 28 -13.243 23.401 -17.247
245 HG2 GLU 28 1HG GLU 28 -10.919 22.049 -18.594
246 HG3 GLU 28 2HG GLU 28 -11.621 23.574 -19.127
247 H VAL 29 H VAL 29 -10.648 21.755 -15.107
248 HA VAL 29 HA VAL 29 -10.273 22.146 -12.896
249 HB VAL 29 HB VAL 29 -12.778 23.851 -12.965
250 HG11 VAL 29 1HG1 VAL 29 -11.708 25.062 -11.118
251 HG12 VAL 29 2HG1 VAL 29 -10.360 23.925 -11.161
252 HG13 VAL 29 3HG1 VAL 29 -11.972 23.364 -10.718
253 HG21 VAL 29 3HG2 VAL 29 -11.270 24.552 -14.740
254 HG22 VAL 29 1HG2 VAL 29 -9.934 24.636 -13.591
255 HG23 VAL 29 2HG2 VAL 29 -11.296 25.746 -13.442
256 H SER 30 H SER 30 -10.883 19.842 -12.800
257 HA SER 30 HA SER 30 -13.559 19.345 -11.734
258 HB2 SER 30 1HB SER 30 -12.720 16.885 -12.255
259 HB3 SER 30 2HB SER 30 -13.352 17.930 -13.527
260 HG SER 30 HG SER 30 -11.397 18.163 -14.345
261 HA PRO 31 HA PRO 31 -11.586 18.152 -7.879
262 HB2 PRO 31 1HB PRO 31 -13.727 18.598 -6.332
263 HB3 PRO 31 2HB PRO 31 -12.751 19.934 -6.949
264 HG2 PRO 31 1HG PRO 31 -15.432 19.001 -7.801
265 HG3 PRO 31 2HG PRO 31 -14.740 20.629 -7.846
266 HD2 PRO 31 1HD PRO 31 -14.933 18.782 -9.993
267 HD3 PRO 31 2HD PRO 31 -14.085 20.340 -9.992
268 H ALA 32 H ALA 32 -13.257 16.876 -6.003
269 HA ALA 32 HA ALA 32 -14.577 14.697 -7.427
270 HB1 ALA 32 3HB ALA 32 -12.427 14.201 -5.367
271 HB2 ALA 32 1HB ALA 32 -12.267 13.936 -7.104
272 HB3 ALA 32 2HB ALA 32 -13.410 12.975 -6.167
273 H GLY 33 H GLY 33 -13.509 15.054 -4.067
274 HA2 GLY 33 1HA GLY 33 -15.444 16.165 -2.688
275 HA3 GLY 33 2HA GLY 33 -16.278 14.703 -3.202
276 H THR 34 H THR 34 -16.244 14.813 -0.655
277 HA THR 34 HA THR 34 -13.891 13.961 0.672
278 HB THR 34 HB THR 34 -16.736 13.482 1.575
279 HG1 THR 34 HG1 THR 34 -15.225 15.748 2.341
280 HG21 THR 34 3HG2 THR 34 -15.029 12.344 2.901
281 HG22 THR 34 1HG2 THR 34 -15.746 13.668 3.821
282 HG23 THR 34 2HG2 THR 34 -14.150 13.860 3.095
283 H SER 35 H SER 35 -12.904 12.135 0.106
284 HA SER 35 HA SER 35 -14.406 9.865 -0.874
285 HB2 SER 35 1HB SER 35 -11.421 10.155 -0.469
286 HB3 SER 35 2HB SER 35 -12.244 8.942 -1.452
287 HG SER 35 HG SER 35 -12.812 11.601 -2.030
288 H MET 36 H MET 36 -15.261 8.476 0.526
289 HA MET 36 HA MET 36 -14.193 8.115 3.174
290 HB2 MET 36 1HB MET 36 -16.370 6.595 1.722
291 HB3 MET 36 2HB MET 36 -15.980 6.426 3.428
292 HG2 MET 36 1HG MET 36 -17.066 8.870 2.053
293 HG3 MET 36 2HG MET 36 -17.915 7.820 3.183
294 HE1 MET 36 3HE MET 36 -15.591 7.290 5.355
295 HE2 MET 36 1HE MET 36 -17.275 7.617 5.768
296 HE3 MET 36 2HE MET 36 -15.984 8.544 6.531
297 H ARG 37 H ARG 37 -13.754 6.696 0.099
298 HA ARG 37 HA ARG 37 -12.146 4.548 1.304
299 HB2 ARG 37 1HB ARG 37 -13.254 4.731 -1.509
300 HB3 ARG 37 2HB ARG 37 -12.277 3.413 -0.881
301 HG2 ARG 37 1HG ARG 37 -14.042 2.881 0.733
302 HG3 ARG 37 2HG ARG 37 -15.022 4.195 0.077
303 HD2 ARG 37 1HD ARG 37 -14.114 1.705 -1.361
304 HD3 ARG 37 2HD ARG 37 -15.760 2.113 -0.879
305 HE ARG 37 HE ARG 37 -14.247 3.271 -3.095
306 HH11 ARG 37 1HH1 ARG 37 -17.218 3.083 -1.264
307 HH12 ARG 37 2HH1 ARG 37 -18.147 3.978 -2.431
308 HH21 ARG 37 1HH2 ARG 37 -15.474 4.401 -4.657
309 HH22 ARG 37 2HH2 ARG 37 -17.157 4.723 -4.369
310 H TYR 38 H TYR 38 -10.239 5.554 1.617
311 HA TYR 38 HA TYR 38 -9.128 7.400 -0.298
312 HB2 TYR 38 1HB TYR 38 -7.741 6.137 2.077
313 HB3 TYR 38 2HB TYR 38 -7.304 7.630 1.255
314 HD1 TYR 38 HD1 TYR 38 -9.631 6.064 3.613
315 HD2 TYR 38 HD2 TYR 38 -8.490 9.694 1.712
316 HE1 TYR 38 HE1 TYR 38 -10.990 7.323 5.224
317 HE2 TYR 38 HE2 TYR 38 -9.850 10.967 3.319
318 HH TYR 38 HH TYR 38 -11.798 10.575 4.797
319 H GLU 39 H GLU 39 -6.902 7.042 -1.177
320 HA GLU 39 HA GLU 39 -6.291 4.195 -1.537
321 HB2 GLU 39 1HB GLU 39 -6.063 6.286 -3.717
322 HB3 GLU 39 2HB GLU 39 -5.680 4.576 -3.864
323 HG2 GLU 39 1HG GLU 39 -8.155 4.222 -3.180
324 HG3 GLU 39 2HG GLU 39 -8.346 5.905 -3.664
325 H ALA 40 H ALA 40 -4.125 3.668 -1.537
326 HA ALA 40 HA ALA 40 -2.329 5.886 -0.787
327 HB1 ALA 40 3HB ALA 40 -2.245 3.055 0.245
328 HB2 ALA 40 1HB ALA 40 -2.871 4.448 1.126
329 HB3 ALA 40 2HB ALA 40 -1.161 4.367 0.703
330 H SER 41 H SER 41 -0.419 6.030 -1.781
331 HA SER 41 HA SER 41 0.040 4.197 -4.000
332 HB2 SER 41 1HB SER 41 1.403 6.818 -3.341
333 HB3 SER 41 2HB SER 41 1.552 5.909 -4.847
334 HG SER 41 HG SER 41 -0.676 6.265 -5.209
335 H PHE 42 H PHE 42 1.569 2.714 -3.984
336 HA PHE 42 HA PHE 42 3.601 2.778 -1.867
337 HB2 PHE 42 1HB PHE 42 2.728 0.517 -3.687
338 HB3 PHE 42 2HB PHE 42 3.965 0.392 -2.440
339 HD1 PHE 42 HD2 PHE 42 3.334 0.574 -0.058
340 HD2 PHE 42 HD1 PHE 42 0.419 0.415 -3.153
341 HE1 PHE 42 HE2 PHE 42 1.613 -0.005 1.599
342 HE2 PHE 42 HE1 PHE 42 -1.310 -0.164 -1.500
343 HZ PHE 42 HZ PHE 42 -0.713 -0.376 0.879
344 H LYS 43 H LYS 43 5.677 3.063 -2.332
345 HA LYS 43 HA LYS 43 6.285 3.850 -5.075
346 HB2 LYS 43 1HB LYS 43 6.725 5.163 -2.804
347 HB3 LYS 43 2HB LYS 43 8.205 4.215 -2.826
348 HG2 LYS 43 1HG LYS 43 8.717 5.112 -5.057
349 HG3 LYS 43 2HG LYS 43 7.263 6.109 -4.965
350 HD2 LYS 43 1HD LYS 43 8.264 6.989 -2.763
351 HD3 LYS 43 2HD LYS 43 9.778 6.289 -3.340
352 HE2 LYS 43 1HE LYS 43 9.779 8.560 -4.009
353 HE3 LYS 43 2HE LYS 43 9.456 7.605 -5.455
354 HZ1 LYS 43 3HZ LYS 43 7.961 9.439 -5.432
355 HZ2 LYS 43 1HZ LYS 43 7.487 9.126 -3.833
356 HZ3 LYS 43 2HZ LYS 43 7.046 8.056 -5.067
357 HA PRO 44 HA PRO 44 8.650 0.063 -5.531
358 HB2 PRO 44 1HB PRO 44 9.315 1.105 -8.172
359 HB3 PRO 44 2HB PRO 44 8.355 -0.314 -7.748
360 HG2 PRO 44 1HG PRO 44 7.273 1.915 -8.851
361 HG3 PRO 44 2HG PRO 44 6.383 0.860 -7.738
362 HD2 PRO 44 1HD PRO 44 7.735 3.477 -7.198
363 HD3 PRO 44 2HD PRO 44 6.170 2.873 -6.609
364 H LEU 45 H LEU 45 10.542 0.044 -4.517
365 HA LEU 45 HA LEU 45 12.391 2.118 -4.378
366 HB2 LEU 45 1HB LEU 45 12.726 -0.844 -3.950
367 HB3 LEU 45 2HB LEU 45 13.983 0.324 -3.595
368 HG LEU 45 HG LEU 45 11.254 0.312 -2.304
369 HD11 LEU 45 1HD1 LEU 45 12.417 -0.524 -0.320
370 HD12 LEU 45 2HD1 LEU 45 13.911 -0.648 -1.249
371 HD13 LEU 45 3HD1 LEU 45 12.529 -1.662 -1.663
372 HD21 LEU 45 3HD2 LEU 45 12.276 1.896 -0.743
373 HD22 LEU 45 1HD2 LEU 45 12.285 2.518 -2.394
374 HD23 LEU 45 2HD2 LEU 45 13.765 1.867 -1.690
375 H ASN 46 H ASN 46 12.093 -0.480 -6.706
376 HA ASN 46 HA ASN 46 14.712 0.100 -7.822
377 HB2 ASN 46 1HB ASN 46 12.684 -1.949 -8.732
378 HB3 ASN 46 2HB ASN 46 14.370 -1.853 -9.230
379 HD21 ASN 46 2HD2 ASN 46 16.000 -2.362 -7.704
380 HD22 ASN 46 1HD2 ASN 46 15.645 -3.370 -6.336
381 H GLY 47 H GLY 47 12.345 1.908 -7.980
382 HA2 GLY 47 1HA GLY 47 11.748 3.522 -9.537
383 HA3 GLY 47 2HA GLY 47 12.675 2.647 -10.749
384 H GLY 48 H GLY 48 9.932 3.831 -10.765
385 HA2 GLY 48 1HA GLY 48 8.589 2.402 -12.533
386 HA3 GLY 48 2HA GLY 48 8.242 1.477 -11.077
387 H LEU 49 H LEU 49 6.052 2.311 -12.111
388 HA LEU 49 HA LEU 49 5.333 4.958 -11.195
389 HB2 LEU 49 1HB LEU 49 3.673 2.725 -12.368
390 HB3 LEU 49 2HB LEU 49 3.045 4.308 -11.953
391 HG LEU 49 HG LEU 49 5.182 3.777 -14.016
392 HD11 LEU 49 1HD1 LEU 49 3.455 4.367 -15.642
393 HD12 LEU 49 2HD1 LEU 49 2.271 4.487 -14.339
394 HD13 LEU 49 3HD1 LEU 49 3.010 2.932 -14.718
395 HD21 LEU 49 3HD2 LEU 49 4.853 6.124 -14.622
396 HD22 LEU 49 1HD2 LEU 49 5.414 5.962 -12.957
397 HD23 LEU 49 2HD2 LEU 49 3.716 6.310 -13.287
398 H GLU 50 H GLU 50 4.130 5.448 -9.412
399 HA GLU 50 HA GLU 50 4.313 3.667 -7.222
400 HB2 GLU 50 1HB GLU 50 2.657 6.189 -7.426
401 HB3 GLU 50 2HB GLU 50 3.151 5.380 -5.944
402 HG2 GLU 50 1HG GLU 50 5.530 5.790 -6.645
403 HG3 GLU 50 2HG GLU 50 4.890 6.819 -7.925
404 H LYS 51 H LYS 51 2.981 2.156 -6.534
405 HA LYS 51 HA LYS 51 0.582 1.604 -8.058
406 HB2 LYS 51 1HB LYS 51 1.750 0.108 -5.701
407 HB3 LYS 51 2HB LYS 51 0.487 -0.471 -6.776
408 HG2 LYS 51 1HG LYS 51 2.092 -0.442 -8.641
409 HG3 LYS 51 2HG LYS 51 3.355 0.070 -7.519
410 HD2 LYS 51 1HD LYS 51 2.965 -1.984 -6.201
411 HD3 LYS 51 2HD LYS 51 1.782 -2.502 -7.401
412 HE2 LYS 51 1HE LYS 51 4.719 -2.015 -7.885
413 HE3 LYS 51 2HE LYS 51 3.931 -3.587 -7.766
414 HZ1 LYS 51 3HZ LYS 51 4.199 -3.114 -10.046
415 HZ2 LYS 51 1HZ LYS 51 3.584 -1.542 -9.885
416 HZ3 LYS 51 2HZ LYS 51 2.551 -2.877 -9.717
417 H THR 52 H THR 52 -1.128 2.837 -7.543
418 HA THR 52 HA THR 52 -1.610 3.517 -4.740
419 HB THR 52 HB THR 52 -3.115 4.502 -7.170
420 HG1 THR 52 HG1 THR 52 -0.938 5.090 -7.392
421 HG21 THR 52 3HG2 THR 52 -2.807 5.620 -4.378
422 HG22 THR 52 1HG2 THR 52 -4.254 4.855 -5.036
423 HG23 THR 52 2HG2 THR 52 -3.688 6.387 -5.700
424 H PHE 53 H PHE 53 -2.721 2.002 -3.668
425 HA PHE 53 HA PHE 53 -4.945 0.657 -5.055
426 HB2 PHE 53 1HB PHE 53 -3.329 -0.263 -2.670
427 HB3 PHE 53 2HB PHE 53 -4.719 -1.120 -3.330
428 HD1 PHE 53 HD2 PHE 53 -4.549 -1.619 -5.924
429 HD2 PHE 53 HD1 PHE 53 -1.236 -0.915 -3.347
430 HE1 PHE 53 HE2 PHE 53 -3.077 -2.803 -7.500
431 HE2 PHE 53 HE1 PHE 53 0.242 -2.096 -4.920
432 HZ PHE 53 HZ PHE 53 -0.677 -3.043 -6.998
433 H ARG 54 H ARG 54 -6.880 0.245 -3.823
434 HA ARG 54 HA ARG 54 -7.575 2.625 -2.328
435 HB2 ARG 54 1HB ARG 54 -8.926 1.555 -4.234
436 HB3 ARG 54 2HB ARG 54 -9.432 0.371 -3.037
437 HG2 ARG 54 1HG ARG 54 -10.482 2.055 -1.711
438 HG3 ARG 54 2HG ARG 54 -9.815 3.338 -2.724
439 HD2 ARG 54 1HD ARG 54 -11.858 1.264 -3.499
440 HD3 ARG 54 2HD ARG 54 -12.102 3.005 -3.347
441 HE ARG 54 HE ARG 54 -10.205 2.931 -5.220
442 HH11 ARG 54 1HH1 ARG 54 -13.139 1.030 -4.885
443 HH12 ARG 54 2HH1 ARG 54 -13.337 0.797 -6.604
444 HH21 ARG 54 1HH2 ARG 54 -10.449 2.587 -7.476
445 HH22 ARG 54 2HH2 ARG 54 -11.812 1.683 -8.063
446 H LEU 55 H LEU 55 -8.445 2.669 -0.272
447 HA LEU 55 HA LEU 55 -8.048 0.231 1.339
448 HB2 LEU 55 1HB LEU 55 -7.255 3.049 2.073
449 HB3 LEU 55 2HB LEU 55 -7.099 1.643 3.108
450 HG LEU 55 HG LEU 55 -5.639 1.993 0.490
451 HD11 LEU 55 1HD1 LEU 55 -3.688 2.489 1.846
452 HD12 LEU 55 2HD1 LEU 55 -4.661 2.386 3.313
453 HD13 LEU 55 3HD1 LEU 55 -4.966 3.669 2.143
454 HD21 LEU 55 3HD2 LEU 55 -4.280 0.131 1.295
455 HD22 LEU 55 1HD2 LEU 55 -5.974 -0.338 1.155
456 HD23 LEU 55 2HD2 LEU 55 -5.283 0.012 2.740
457 H GLN 56 H GLN 56 -9.354 0.010 3.145
458 HA GLN 56 HA GLN 56 -11.666 1.767 3.405
459 HB2 GLN 56 1HB GLN 56 -10.843 -0.696 4.971
460 HB3 GLN 56 2HB GLN 56 -12.360 0.168 5.171
461 HG2 GLN 56 1HG GLN 56 -13.081 -0.458 2.983
462 HG3 GLN 56 2HG GLN 56 -11.502 -1.146 2.606
463 HE21 GLN 56 2HE2 GLN 56 -14.178 -2.370 2.631
464 HE22 GLN 56 1HE2 GLN 56 -14.060 -3.725 3.695
465 H ALA 57 H ALA 57 -12.152 2.622 5.663
466 HA ALA 57 HA ALA 57 -10.064 4.187 6.644
467 HB1 ALA 57 3HB ALA 57 -11.503 4.670 8.548
468 HB2 ALA 57 1HB ALA 57 -12.530 3.297 8.134
469 HB3 ALA 57 2HB ALA 57 -12.427 4.681 7.046
470 H GLN 58 H GLN 58 -11.229 1.039 7.748
471 HA GLN 58 HA GLN 58 -9.580 0.775 10.011
472 HB2 GLN 58 1HB GLN 58 -11.516 -0.667 9.556
473 HB3 GLN 58 2HB GLN 58 -10.680 -1.365 8.179
474 HG2 GLN 58 1HG GLN 58 -8.995 -2.305 9.665
475 HG3 GLN 58 2HG GLN 58 -9.810 -1.582 11.052
476 HE21 GLN 58 2HE2 GLN 58 -11.744 -2.455 11.773
477 HE22 GLN 58 1HE2 GLN 58 -12.312 -4.006 11.267
478 H GLN 59 H GLN 59 -9.072 -0.189 6.634
479 HA GLN 59 HA GLN 59 -6.493 -1.320 7.017
480 HB2 GLN 59 1HB GLN 59 -7.642 -0.097 4.496
481 HB3 GLN 59 2HB GLN 59 -6.300 -1.227 4.589
482 HG2 GLN 59 1HG GLN 59 -9.127 -1.851 5.409
483 HG3 GLN 59 2HG GLN 59 -8.417 -2.254 3.847
484 HE21 GLN 59 2HE2 GLN 59 -9.515 -3.976 5.946
485 HE22 GLN 59 1HE2 GLN 59 -8.248 -5.073 6.366
486 H TYR 60 H TYR 60 -7.694 1.841 6.175
487 HA TYR 60 HA TYR 60 -5.398 3.221 5.490
488 HB2 TYR 60 1HB TYR 60 -7.593 4.128 5.172
489 HB3 TYR 60 2HB TYR 60 -7.947 4.042 6.886
490 HD1 TYR 60 HD2 TYR 60 -5.978 5.855 4.330
491 HD2 TYR 60 HD1 TYR 60 -7.453 5.839 8.320
492 HE1 TYR 60 HE2 TYR 60 -5.381 8.229 4.557
493 HE2 TYR 60 HE1 TYR 60 -6.869 8.215 8.556
494 HH TYR 60 HH TYR 60 -5.369 9.863 7.561
495 H HIS 61 H HIS 61 -6.625 2.379 8.683
496 HA HIS 61 HA HIS 61 -4.895 4.002 10.209
497 HB2 HIS 61 1HB HIS 61 -6.846 2.957 11.216
498 HB3 HIS 61 2HB HIS 61 -6.200 1.354 10.886
499 HD1 HIS 61 HD1 HIS 61 -5.962 4.201 13.275
500 HD2 HIS 61 HD2 HIS 61 -4.150 0.511 12.640
501 HE1 HIS 61 HE1 HIS 61 -4.649 3.715 15.370
502 HE2 HIS 61 HE2 HIS 61 -3.421 1.558 14.891
503 H ALA 62 H ALA 62 -4.379 0.973 8.563
504 HA ALA 62 HA ALA 62 -1.988 0.365 10.107
505 HB1 ALA 62 3HB ALA 62 -1.922 -1.704 8.818
506 HB2 ALA 62 1HB ALA 62 -3.255 -1.131 7.816
507 HB3 ALA 62 2HB ALA 62 -3.515 -1.452 9.530
508 H LEU 63 H LEU 63 -2.712 2.261 7.482
509 HA LEU 63 HA LEU 63 -0.220 1.699 6.077
510 HB2 LEU 63 1HB LEU 63 -2.717 3.152 5.404
511 HB3 LEU 63 2HB LEU 63 -1.237 3.715 4.653
512 HG LEU 63 HG LEU 63 -2.413 2.164 3.195
513 HD11 LEU 63 1HD1 LEU 63 0.007 2.238 3.086
514 HD12 LEU 63 2HD1 LEU 63 -0.585 0.609 2.764
515 HD13 LEU 63 3HD1 LEU 63 0.115 0.999 4.334
516 HD21 LEU 63 3HD2 LEU 63 -3.586 0.837 4.855
517 HD22 LEU 63 1HD2 LEU 63 -2.059 0.162 5.421
518 HD23 LEU 63 2HD2 LEU 63 -2.636 -0.203 3.795
519 H THR 64 H THR 64 1.301 2.454 7.499
520 HA THR 64 HA THR 64 1.201 5.225 8.356
521 HB THR 64 HB THR 64 3.408 3.201 8.790
522 HG1 THR 64 HG1 THR 64 0.940 3.203 9.764
523 HG21 THR 64 3HG2 THR 64 2.717 5.770 10.227
524 HG22 THR 64 1HG2 THR 64 4.094 5.521 9.154
525 HG23 THR 64 2HG2 THR 64 4.001 4.652 10.686
526 H VAL 65 H VAL 65 1.779 6.729 6.945
527 HA VAL 65 HA VAL 65 3.264 6.282 4.608
528 HB VAL 65 HB VAL 65 2.527 8.812 6.067
529 HG11 VAL 65 1HG1 VAL 65 3.922 8.573 3.400
530 HG12 VAL 65 2HG1 VAL 65 4.614 9.248 4.877
531 HG13 VAL 65 3HG1 VAL 65 3.259 10.057 4.086
532 HG21 VAL 65 3HG2 VAL 65 1.600 7.575 3.480
533 HG22 VAL 65 1HG2 VAL 65 0.995 9.077 4.183
534 HG23 VAL 65 2HG2 VAL 65 0.727 7.544 5.014
535 H GLY 66 H GLY 66 5.343 6.150 4.222
536 HA2 GLY 66 1HA GLY 66 7.619 6.747 4.467
537 HA3 GLY 66 2HA GLY 66 7.264 7.342 6.085
538 H ASP 67 H ASP 67 5.678 4.788 6.556
539 HA ASP 67 HA ASP 67 7.922 3.359 7.676
540 HB2 ASP 67 1HB ASP 67 5.804 3.597 8.944
541 HB3 ASP 67 2HB ASP 67 4.984 2.623 7.727
542 H GLN 68 H GLN 68 9.072 2.571 5.981
543 HA GLN 68 HA GLN 68 8.064 1.118 3.805
544 HB2 GLN 68 1HB GLN 68 10.745 0.730 5.150
545 HB3 GLN 68 2HB GLN 68 10.329 0.300 3.498
546 HG2 GLN 68 1HG GLN 68 10.025 2.658 2.956
547 HG3 GLN 68 2HG GLN 68 10.430 3.092 4.617
548 HE21 GLN 68 2HE2 GLN 68 11.758 3.909 2.196
549 HE22 GLN 68 1HE2 GLN 68 13.394 3.352 2.308
550 H GLY 69 H GLY 69 7.514 -0.998 3.530
551 HA2 GLY 69 1HA GLY 69 8.051 -2.966 5.569
552 HA3 GLY 69 2HA GLY 69 6.381 -2.418 5.543
553 H THR 70 H THR 70 6.510 -4.932 5.146
554 HA THR 70 HA THR 70 7.258 -5.727 2.493
555 HB THR 70 HB THR 70 5.738 -7.336 4.552
556 HG1 THR 70 HG1 THR 70 7.522 -7.090 5.686
557 HG21 THR 70 3HG2 THR 70 5.814 -8.305 2.296
558 HG22 THR 70 1HG2 THR 70 6.778 -9.250 3.432
559 HG23 THR 70 2HG2 THR 70 7.571 -8.161 2.294
560 H LEU 71 H LEU 71 5.980 -6.080 0.775
561 HA LEU 71 HA LEU 71 3.088 -5.635 1.103
562 HB2 LEU 71 1HB LEU 71 4.278 -3.871 -0.173
563 HB3 LEU 71 2HB LEU 71 4.820 -5.088 -1.314
564 HG LEU 71 HG LEU 71 2.431 -5.540 -1.884
565 HD11 LEU 71 1HD1 LEU 71 1.943 -3.103 -0.178
566 HD12 LEU 71 2HD1 LEU 71 1.405 -4.747 0.168
567 HD13 LEU 71 3HD1 LEU 71 0.756 -3.882 -1.225
568 HD21 LEU 71 3HD2 LEU 71 2.141 -3.533 -3.232
569 HD22 LEU 71 1HD2 LEU 71 3.818 -4.075 -3.262
570 HD23 LEU 71 2HD2 LEU 71 3.355 -2.695 -2.266
571 H SER 72 H SER 72 1.835 -7.299 0.625
572 HA SER 72 HA SER 72 2.992 -9.609 -0.780
573 HB2 SER 72 1HB SER 72 0.485 -9.398 0.908
574 HB3 SER 72 2HB SER 72 1.172 -10.880 0.242
575 HG SER 72 HG SER 72 2.826 -9.268 1.806
576 H TYR 73 H TYR 73 2.581 -9.622 -2.900
577 HA TYR 73 HA TYR 73 -0.151 -9.018 -3.776
578 HB2 TYR 73 1HB TYR 73 0.679 -7.769 -5.715
579 HB3 TYR 73 2HB TYR 73 1.186 -7.006 -4.213
580 HD1 TYR 73 HD2 TYR 73 3.552 -7.072 -3.527
581 HD2 TYR 73 HD1 TYR 73 2.285 -8.714 -7.243
582 HE1 TYR 73 HE2 TYR 73 5.883 -7.089 -4.310
583 HE2 TYR 73 HE1 TYR 73 4.611 -8.733 -8.034
584 HH TYR 73 HH TYR 73 7.252 -8.326 -5.996
585 H LYS 74 H LYS 74 -0.719 -9.957 -5.821
586 HA LYS 74 HA LYS 74 1.080 -12.085 -6.754
587 HB2 LYS 74 1HB LYS 74 -1.895 -12.328 -6.257
588 HB3 LYS 74 2HB LYS 74 -0.951 -13.504 -7.161
589 HG2 LYS 74 1HG LYS 74 0.435 -13.880 -5.152
590 HG3 LYS 74 2HG LYS 74 -0.615 -12.776 -4.261
591 HD2 LYS 74 1HD LYS 74 -2.522 -14.233 -4.672
592 HD3 LYS 74 2HD LYS 74 -1.505 -15.320 -5.622
593 HE2 LYS 74 1HE LYS 74 -0.119 -15.718 -3.623
594 HE3 LYS 74 2HE LYS 74 -1.199 -14.686 -2.689
595 HZ1 LYS 74 3HZ LYS 74 -1.719 -17.015 -2.385
596 HZ2 LYS 74 1HZ LYS 74 -1.966 -17.214 -4.050
597 HZ3 LYS 74 2HZ LYS 74 -3.008 -16.220 -3.147
598 H GLY 75 H GLY 75 1.524 -11.810 -8.836
599 HA2 GLY 75 1HA GLY 75 1.287 -11.200 -11.045
600 HA3 GLY 75 2HA GLY 75 -0.450 -11.123 -10.771
601 H THR 76 H THR 76 -1.335 -9.192 -10.964
602 HA THR 76 HA THR 76 0.364 -6.825 -10.525
603 HB THR 76 HB THR 76 -2.152 -6.719 -12.155
604 HG1 THR 76 HG1 THR 76 0.167 -7.097 -13.613
605 HG21 THR 76 3HG2 THR 76 -1.001 -4.630 -11.589
606 HG22 THR 76 1HG2 THR 76 -0.930 -4.941 -13.322
607 HG23 THR 76 2HG2 THR 76 0.484 -5.247 -12.314
608 H ARG 77 H ARG 77 -1.812 -8.589 -8.937
609 HA ARG 77 HA ARG 77 -3.534 -6.334 -8.172
610 HB2 ARG 77 1HB ARG 77 -4.731 -8.265 -9.080
611 HB3 ARG 77 2HB ARG 77 -4.021 -9.298 -7.846
612 HG2 ARG 77 1HG ARG 77 -5.230 -8.207 -6.117
613 HG3 ARG 77 2HG ARG 77 -5.755 -6.925 -7.209
614 HD2 ARG 77 1HD ARG 77 -7.071 -8.538 -8.481
615 HD3 ARG 77 2HD ARG 77 -6.523 -9.834 -7.419
616 HE ARG 77 HE ARG 77 -7.978 -9.106 -5.782
617 HH11 ARG 77 1HH1 ARG 77 -7.895 -6.803 -8.426
618 HH12 ARG 77 2HH1 ARG 77 -9.263 -5.905 -7.850
619 HH21 ARG 77 1HH2 ARG 77 -9.809 -7.942 -5.055
620 HH22 ARG 77 2HH2 ARG 77 -10.371 -6.567 -5.955
621 H PHE 78 H PHE 78 -3.785 -5.715 -6.131
622 HA PHE 78 HA PHE 78 -1.756 -6.331 -4.216
623 HB2 PHE 78 1HB PHE 78 -2.573 -4.077 -4.369
624 HB3 PHE 78 2HB PHE 78 -4.236 -4.604 -4.161
625 HD1 PHE 78 HD2 PHE 78 -0.996 -4.203 -2.431
626 HD2 PHE 78 HD1 PHE 78 -5.186 -4.812 -2.027
627 HE1 PHE 78 HE2 PHE 78 -0.824 -3.760 -0.017
628 HE2 PHE 78 HE1 PHE 78 -5.024 -4.369 0.386
629 HZ PHE 78 HZ PHE 78 -2.840 -3.843 1.394
630 H VAL 79 H VAL 79 -1.845 -7.710 -2.528
631 HA VAL 79 HA VAL 79 -4.398 -9.081 -2.021
632 HB VAL 79 HB VAL 79 -1.599 -9.999 -1.324
633 HG11 VAL 79 1HG1 VAL 79 -4.252 -11.414 -1.075
634 HG12 VAL 79 2HG1 VAL 79 -3.249 -10.833 0.255
635 HG13 VAL 79 3HG1 VAL 79 -2.672 -12.139 -0.781
636 HG21 VAL 79 3HG2 VAL 79 -2.005 -10.033 -3.733
637 HG22 VAL 79 1HG2 VAL 79 -3.480 -10.964 -3.477
638 HG23 VAL 79 2HG2 VAL 79 -1.913 -11.668 -3.080
639 H GLY 80 H GLY 80 -1.488 -7.947 -0.270
640 HA2 GLY 80 1HA GLY 80 -3.080 -6.619 1.702
641 HA3 GLY 80 2HA GLY 80 -2.424 -8.133 2.309
642 H PHE 81 H PHE 81 -1.860 -5.467 3.240
643 HA PHE 81 HA PHE 81 0.991 -5.239 2.558
644 HB2 PHE 81 1HB PHE 81 -0.266 -3.164 2.225
645 HB3 PHE 81 2HB PHE 81 -0.858 -3.235 3.881
646 HD1 PHE 81 HD1 PHE 81 2.307 -3.058 1.928
647 HD2 PHE 81 HD2 PHE 81 0.287 -2.123 5.557
648 HE1 PHE 81 HE1 PHE 81 4.261 -1.765 2.679
649 HE2 PHE 81 HE2 PHE 81 2.237 -0.827 6.313
650 HZ PHE 81 HZ PHE 81 4.227 -0.649 4.874
651 H VAL 82 H VAL 82 2.524 -5.536 4.112
652 HA VAL 82 HA VAL 82 1.542 -6.197 6.813
653 HB VAL 82 HB VAL 82 3.775 -7.624 5.351
654 HG11 VAL 82 1HG1 VAL 82 2.497 -8.172 8.028
655 HG12 VAL 82 2HG1 VAL 82 4.120 -7.535 7.758
656 HG13 VAL 82 3HG1 VAL 82 3.721 -9.174 7.247
657 HG21 VAL 82 3HG2 VAL 82 2.271 -9.561 5.301
658 HG22 VAL 82 1HG2 VAL 82 1.618 -8.203 4.386
659 HG23 VAL 82 2HG2 VAL 82 0.982 -8.572 5.989
660 H SER 83 H SER 83 2.182 -4.393 7.889
661 HA SER 83 HA SER 83 4.687 -3.114 7.551
662 HB2 SER 83 1HB SER 83 2.788 -1.953 8.585
663 HB3 SER 83 2HB SER 83 2.790 -3.102 9.920
664 HG SER 83 HG SER 83 4.532 -0.980 9.368
665 H ARG 84 H ARG 84 6.469 -3.120 9.074
666 HA ARG 84 HA ARG 84 7.342 -5.747 9.659
667 HB2 ARG 84 1HB ARG 84 8.465 -3.137 10.695
668 HB3 ARG 84 2HB ARG 84 9.304 -4.683 10.632
669 HG2 ARG 84 1HG ARG 84 9.233 -4.659 8.212
670 HG3 ARG 84 2HG ARG 84 8.308 -3.158 8.234
671 HD2 ARG 84 1HD ARG 84 10.260 -2.147 9.495
672 HD3 ARG 84 2HD ARG 84 11.161 -3.601 9.065
673 HE ARG 84 HE ARG 84 9.983 -1.763 7.073
674 HH11 ARG 84 1HH1 ARG 84 12.557 -3.879 8.159
675 HH12 ARG 84 2HH1 ARG 84 13.561 -3.568 6.778
676 HH21 ARG 84 1HH2 ARG 84 11.303 -1.370 5.252
677 HH22 ARG 84 2HH2 ARG 84 12.847 -2.148 5.123
678 H THR 85 H THR 85 5.766 -3.282 11.538
679 HA THR 85 HA THR 85 5.095 -5.258 13.544
680 HB THR 85 HB THR 85 6.497 -2.681 14.294
681 HG1 THR 85 HG1 THR 85 7.156 -5.448 14.552
682 HG21 THR 85 3HG2 THR 85 6.166 -3.371 16.621
683 HG22 THR 85 1HG2 THR 85 5.225 -4.764 16.081
684 HG23 THR 85 2HG2 THR 85 4.620 -3.129 15.808
685 HA PRO 86 HA PRO 86 1.412 -2.782 12.786
686 HB2 PRO 86 1HB PRO 86 -0.077 -4.802 14.207
687 HB3 PRO 86 2HB PRO 86 -0.044 -4.483 12.474
688 HG2 PRO 86 1HG PRO 86 0.977 -6.744 13.634
689 HG3 PRO 86 2HG PRO 86 1.529 -6.087 12.084
690 HD2 PRO 86 1HD PRO 86 2.762 -5.834 14.800
691 HD3 PRO 86 2HD PRO 86 3.540 -6.090 13.223
692 H ASP 87 H ASP 87 -0.736 -2.731 14.454
693 HA ASP 87 HA ASP 87 0.137 -1.127 16.651
694 HB2 ASP 87 1HB ASP 87 -2.594 -2.307 16.061
695 HB3 ASP 87 2HB ASP 87 -2.266 -1.108 17.303
696 H ASN 88 H ASN 88 -0.850 -4.427 16.216
697 HA ASN 88 HA ASN 88 -0.288 -4.991 19.045
698 HB2 ASN 88 1HB ASN 88 -2.450 -6.168 17.284
699 HB3 ASN 88 2HB ASN 88 -1.993 -6.833 18.847
700 HD21 ASN 88 2HD2 ASN 88 -1.565 -4.291 20.113
701 HD22 ASN 88 1HD2 ASN 88 -3.129 -3.587 20.358
702 H GLU 89 H GLU 89 -0.153 -7.592 19.164
703 HA GLU 89 HA GLU 89 2.001 -8.343 17.389
704 HB2 GLU 89 1HB GLU 89 0.621 -9.737 19.679
705 HB3 GLU 89 2HB GLU 89 1.821 -10.547 18.683
706 HG2 GLU 89 1HG GLU 89 2.885 -9.768 20.666
707 HG3 GLU 89 2HG GLU 89 3.455 -8.794 19.316
708 H LEU 90 H LEU 90 -1.392 -8.698 17.569
709 HA LEU 90 HA LEU 90 -1.416 -10.905 15.649
710 HB2 LEU 90 1HB LEU 90 -3.679 -9.569 17.137
711 HB3 LEU 90 2HB LEU 90 -3.850 -10.940 16.057
712 HG LEU 90 HG LEU 90 -2.305 -10.938 18.652
713 HD11 LEU 90 1HD1 LEU 90 -4.100 -12.396 19.452
714 HD12 LEU 90 2HD1 LEU 90 -4.960 -12.167 17.929
715 HD13 LEU 90 3HD1 LEU 90 -4.704 -10.799 19.012
716 HD21 LEU 90 3HD2 LEU 90 -1.357 -12.460 16.989
717 HD22 LEU 90 1HD2 LEU 90 -2.944 -13.188 16.748
718 HD23 LEU 90 2HD2 LEU 90 -2.129 -13.345 18.305
719 H GLU 91 H GLU 91 -2.314 -10.734 13.623
720 HA GLU 91 HA GLU 91 -2.191 -8.145 12.397
721 HB2 GLU 91 1HB GLU 91 -3.069 -10.814 11.281
722 HB3 GLU 91 2HB GLU 91 -2.766 -9.369 10.330
723 HG2 GLU 91 1HG GLU 91 -0.453 -9.447 10.767
724 HG3 GLU 91 2HG GLU 91 -0.664 -10.641 12.051
725 H HIS 92 H HIS 92 -4.591 -9.705 14.092
726 HA HIS 92 HA HIS 92 -6.839 -9.476 14.326
727 HB2 HIS 92 1HB HIS 92 -6.286 -6.985 12.716
728 HB3 HIS 92 2HB HIS 92 -7.911 -7.418 13.229
729 HD1 HIS 92 HD1 HIS 92 -8.597 -6.658 15.500
730 HD2 HIS 92 HD2 HIS 92 -4.465 -6.560 14.983
731 HE1 HIS 92 HE1 HIS 92 -7.681 -5.526 17.548
732 HE2 HIS 92 HE2 HIS 92 -5.191 -5.419 17.196
733 H HIS 93 H HIS 93 -5.606 -10.970 12.090
734 HA HIS 93 HA HIS 93 -7.407 -10.659 9.850
735 HB2 HIS 93 1HB HIS 93 -4.888 -11.555 9.960
736 HB3 HIS 93 2HB HIS 93 -5.716 -13.099 10.136
737 HD1 HIS 93 HD1 HIS 93 -5.770 -14.220 7.919
738 HD2 HIS 93 HD2 HIS 93 -6.356 -10.109 7.603
739 HE1 HIS 93 HE1 HIS 93 -6.138 -13.767 5.472
740 HE2 HIS 93 HE2 HIS 93 -6.350 -11.261 5.286
741 H HIS 94 H HIS 94 -7.428 -12.207 12.822
742 HA HIS 94 HA HIS 94 -9.976 -13.468 12.105
743 HB2 HIS 94 1HB HIS 94 -7.787 -14.659 13.813
744 HB3 HIS 94 2HB HIS 94 -9.461 -15.187 13.938
745 HD1 HIS 94 HD1 HIS 94 -10.396 -16.644 12.046
746 HD2 HIS 94 HD2 HIS 94 -6.450 -15.451 11.466
747 HE1 HIS 94 HE1 HIS 94 -9.545 -18.018 10.117
748 HE2 HIS 94 HE2 HIS 94 -7.106 -17.415 9.912
749 H HIS 95 H HIS 95 -11.324 -12.010 12.969
750 HA HIS 95 HA HIS 95 -10.607 -10.647 15.429
751 HB2 HIS 95 1HB HIS 95 -12.678 -9.312 15.021
752 HB3 HIS 95 2HB HIS 95 -11.508 -9.243 13.713
753 HD1 HIS 95 HD1 HIS 95 -12.182 -10.288 11.451
754 HD2 HIS 95 HD2 HIS 95 -15.128 -10.515 14.385
755 HE1 HIS 95 HE1 HIS 95 -14.301 -10.903 10.244
756 HE2 HIS 95 HE2 HIS 95 -16.104 -10.820 12.005
757 H HIS 96 H HIS 96 -11.982 -13.510 14.781
758 HA HIS 96 HA HIS 96 -12.880 -13.695 17.521
759 HB2 HIS 96 1HB HIS 96 -14.981 -13.148 16.359
760 HB3 HIS 96 2HB HIS 96 -14.716 -14.481 15.240
761 HD1 HIS 96 HD1 HIS 96 -15.329 -13.883 18.939
762 HD2 HIS 96 HD2 HIS 96 -15.712 -16.885 16.079
763 HE1 HIS 96 HE1 HIS 96 -16.509 -15.784 20.095
764 HE2 HIS 96 HE2 HIS 96 -16.575 -17.647 18.396
765 H HIS 97 H HIS 97 -12.482 -15.705 18.369
766 HA HIS 97 HA HIS 97 -11.397 -17.695 16.472
767 HB2 HIS 97 1HB HIS 97 -10.553 -17.499 19.362
768 HB3 HIS 97 2HB HIS 97 -9.747 -18.339 18.045
769 HD1 HIS 97 HD1 HIS 97 -8.851 -15.861 20.093
770 HD2 HIS 97 HD2 HIS 97 -9.367 -15.848 15.964
771 HE1 HIS 97 HE1 HIS 97 -7.524 -13.896 19.247
772 HE2 HIS 97 HE2 HIS 97 -8.025 -13.792 16.782
Start of MODEL 17
1 H1 MET 1 1H MET 1 9.208 -21.297 -5.679
2 H2 MET 1 2H MET 1 9.585 -21.585 -7.305
3 H3 MET 1 3H MET 1 8.088 -22.086 -6.678
4 HA MET 1 HA MET 1 8.999 -19.281 -6.934
5 HB2 MET 1 1HB MET 1 6.973 -20.870 -8.521
6 HB3 MET 1 2HB MET 1 7.160 -19.126 -8.620
7 HG2 MET 1 1HG MET 1 9.456 -19.425 -9.410
8 HG3 MET 1 2HG MET 1 9.248 -21.173 -9.328
9 HE1 MET 1 3HE MET 1 6.897 -18.439 -12.213
10 HE2 MET 1 1HE MET 1 8.133 -17.851 -11.102
11 HE3 MET 1 2HE MET 1 6.611 -18.480 -10.473
12 H ALA 2 H ALA 2 8.036 -17.977 -5.550
13 HA ALA 2 HA ALA 2 5.990 -18.939 -3.793
14 HB1 ALA 2 3HB ALA 2 7.708 -17.371 -3.029
15 HB2 ALA 2 1HB ALA 2 6.086 -16.717 -2.794
16 HB3 ALA 2 2HB ALA 2 7.082 -16.148 -4.135
17 HA PRO 3 HA PRO 3 2.559 -17.836 -6.453
18 HB2 PRO 3 1HB PRO 3 0.960 -18.214 -4.005
19 HB3 PRO 3 2HB PRO 3 0.863 -19.067 -5.548
20 HG2 PRO 3 1HG PRO 3 1.834 -20.247 -3.340
21 HG3 PRO 3 2HG PRO 3 2.479 -20.602 -4.953
22 HD2 PRO 3 1HD PRO 3 3.605 -18.847 -2.803
23 HD3 PRO 3 2HD PRO 3 4.442 -19.971 -3.894
24 H LEU 4 H LEU 4 3.209 -16.529 -3.289
25 HA LEU 4 HA LEU 4 1.652 -14.118 -3.879
26 HB2 LEU 4 1HB LEU 4 1.331 -15.352 -1.704
27 HB3 LEU 4 2HB LEU 4 2.978 -14.926 -1.293
28 HG LEU 4 HG LEU 4 2.408 -12.567 -1.269
29 HD11 LEU 4 1HD1 LEU 4 0.706 -12.583 -3.021
30 HD12 LEU 4 2HD1 LEU 4 0.098 -11.828 -1.547
31 HD13 LEU 4 3HD1 LEU 4 -0.385 -13.473 -1.959
32 HD21 LEU 4 3HD2 LEU 4 2.134 -13.815 0.787
33 HD22 LEU 4 1HD2 LEU 4 0.505 -14.295 0.310
34 HD23 LEU 4 2HD2 LEU 4 0.859 -12.604 0.654
35 H GLN 5 H GLN 5 2.748 -12.493 -4.756
36 HA GLN 5 HA GLN 5 5.632 -12.492 -4.750
37 HB2 GLN 5 1HB GLN 5 3.688 -10.470 -5.888
38 HB3 GLN 5 2HB GLN 5 5.412 -10.548 -6.225
39 HG2 GLN 5 1HG GLN 5 5.159 -12.640 -7.360
40 HG3 GLN 5 2HG GLN 5 3.467 -12.744 -6.881
41 HE21 GLN 5 2HE2 GLN 5 4.667 -12.779 -9.531
42 HE22 GLN 5 1HE2 GLN 5 3.945 -11.469 -10.402
43 H GLN 6 H GLN 6 6.697 -11.738 -3.061
44 HA GLN 6 HA GLN 6 5.568 -9.445 -1.611
45 HB2 GLN 6 1HB GLN 6 7.182 -11.779 -0.597
46 HB3 GLN 6 2HB GLN 6 6.950 -10.308 0.338
47 HG2 GLN 6 1HG GLN 6 4.535 -10.652 0.289
48 HG3 GLN 6 2HG GLN 6 4.763 -12.122 -0.658
49 HE21 GLN 6 2HE2 GLN 6 3.567 -11.675 2.003
50 HE22 GLN 6 1HE2 GLN 6 4.433 -12.724 3.075
51 H LYS 7 H LYS 7 6.784 -7.720 -1.254
52 HA LYS 7 HA LYS 7 9.662 -7.774 -1.487
53 HB2 LYS 7 1HB LYS 7 8.728 -7.464 -3.855
54 HB3 LYS 7 2HB LYS 7 8.124 -5.908 -3.301
55 HG2 LYS 7 1HG LYS 7 10.503 -5.365 -2.644
56 HG3 LYS 7 2HG LYS 7 10.977 -6.809 -3.539
57 HD2 LYS 7 1HD LYS 7 9.869 -5.871 -5.547
58 HD3 LYS 7 2HD LYS 7 9.536 -4.397 -4.634
59 HE2 LYS 7 1HE LYS 7 12.228 -5.538 -5.355
60 HE3 LYS 7 2HE LYS 7 11.509 -4.037 -5.939
61 HZ1 LYS 7 3HZ LYS 7 11.574 -3.219 -3.621
62 HZ2 LYS 7 1HZ LYS 7 13.114 -3.540 -4.255
63 HZ3 LYS 7 2HZ LYS 7 12.399 -4.622 -3.161
64 H GLN 8 H GLN 8 10.581 -5.678 -0.766
65 HA GLN 8 HA GLN 8 8.798 -4.415 1.148
66 HB2 GLN 8 1HB GLN 8 11.757 -3.968 0.710
67 HB3 GLN 8 2HB GLN 8 10.800 -3.364 2.058
68 HG2 GLN 8 1HG GLN 8 10.282 -5.769 2.607
69 HG3 GLN 8 2HG GLN 8 11.516 -6.212 1.432
70 HE21 GLN 8 2HE2 GLN 8 11.415 -6.718 4.266
71 HE22 GLN 8 1HE2 GLN 8 12.839 -6.007 4.951
72 H VAL 9 H VAL 9 7.984 -2.445 0.977
73 HA VAL 9 HA VAL 9 8.852 -0.718 -1.237
74 HB VAL 9 HB VAL 9 6.451 -0.182 -1.704
75 HG11 VAL 9 1HG1 VAL 9 6.002 -2.197 -3.034
76 HG12 VAL 9 2HG1 VAL 9 7.267 -3.052 -2.151
77 HG13 VAL 9 3HG1 VAL 9 7.681 -1.678 -3.176
78 HG21 VAL 9 3HG2 VAL 9 5.483 -0.951 0.388
79 HG22 VAL 9 1HG2 VAL 9 5.934 -2.613 0.004
80 HG23 VAL 9 2HG2 VAL 9 4.733 -1.776 -0.979
81 H VAL 10 H VAL 10 7.638 1.455 -1.047
82 HA VAL 10 HA VAL 10 7.551 2.236 1.795
83 HB VAL 10 HB VAL 10 8.317 3.953 -0.577
84 HG11 VAL 10 1HG1 VAL 10 8.304 4.583 2.372
85 HG12 VAL 10 2HG1 VAL 10 7.192 5.228 1.166
86 HG13 VAL 10 3HG1 VAL 10 8.905 5.640 1.096
87 HG21 VAL 10 3HG2 VAL 10 10.024 2.839 1.646
88 HG22 VAL 10 1HG2 VAL 10 10.563 3.955 0.391
89 HG23 VAL 10 2HG2 VAL 10 10.049 2.324 -0.042
90 H VAL 11 H VAL 11 5.605 2.873 2.487
91 HA VAL 11 HA VAL 11 3.498 3.617 0.678
92 HB VAL 11 HB VAL 11 3.599 4.055 3.671
93 HG11 VAL 11 1HG1 VAL 11 1.152 3.993 3.504
94 HG12 VAL 11 2HG1 VAL 11 1.282 3.826 1.752
95 HG13 VAL 11 3HG1 VAL 11 1.841 5.300 2.542
96 HG21 VAL 11 3HG2 VAL 11 2.613 1.650 2.139
97 HG22 VAL 11 1HG2 VAL 11 2.420 1.911 3.874
98 HG23 VAL 11 2HG2 VAL 11 4.031 1.713 3.184
99 H SER 12 H SER 12 4.227 5.352 -0.495
100 HA SER 12 HA SER 12 5.661 7.488 0.789
101 HB2 SER 12 1HB SER 12 5.519 8.359 -1.700
102 HB3 SER 12 2HB SER 12 6.580 7.015 -1.270
103 HG SER 12 HG SER 12 4.571 7.031 -3.018
104 H ASN 13 H ASN 13 2.622 7.289 -1.083
105 HA ASN 13 HA ASN 13 1.803 9.780 0.249
106 HB2 ASN 13 1HB ASN 13 1.492 9.152 -2.692
107 HB3 ASN 13 2HB ASN 13 0.720 10.505 -1.877
108 HD21 ASN 13 2HD2 ASN 13 3.618 9.265 -3.257
109 HD22 ASN 13 1HD2 ASN 13 4.569 10.707 -3.072
110 H LYS 14 H LYS 14 -0.286 9.929 0.855
111 HA LYS 14 HA LYS 14 -2.061 7.665 0.266
112 HB2 LYS 14 1HB LYS 14 -1.794 8.428 2.640
113 HB3 LYS 14 2HB LYS 14 -2.453 9.989 2.182
114 HG2 LYS 14 1HG LYS 14 -4.008 7.457 1.771
115 HG3 LYS 14 2HG LYS 14 -4.001 8.295 3.321
116 HD2 LYS 14 1HD LYS 14 -4.848 9.488 0.678
117 HD3 LYS 14 2HD LYS 14 -5.937 8.921 1.944
118 HE2 LYS 14 1HE LYS 14 -5.121 10.603 3.465
119 HE3 LYS 14 2HE LYS 14 -3.890 11.107 2.308
120 HZ1 LYS 14 3HZ LYS 14 -5.790 12.608 2.313
121 HZ2 LYS 14 1HZ LYS 14 -6.830 11.334 1.903
122 HZ3 LYS 14 2HZ LYS 14 -5.635 11.841 0.811
123 H ARG 15 H ARG 15 -3.515 7.871 -1.297
124 HA ARG 15 HA ARG 15 -4.125 10.584 -2.270
125 HB2 ARG 15 1HB ARG 15 -3.566 8.046 -3.789
126 HB3 ARG 15 2HB ARG 15 -4.464 9.371 -4.519
127 HG2 ARG 15 1HG ARG 15 -2.602 10.843 -4.325
128 HG3 ARG 15 2HG ARG 15 -1.717 9.684 -3.333
129 HD2 ARG 15 1HD ARG 15 -1.373 8.231 -5.151
130 HD3 ARG 15 2HD ARG 15 -2.591 9.043 -6.136
131 HE ARG 15 HE ARG 15 -1.051 10.926 -6.320
132 HH11 ARG 15 1HH1 ARG 15 0.298 7.878 -5.209
133 HH12 ARG 15 2HH1 ARG 15 1.913 8.283 -5.724
134 HH21 ARG 15 1HH2 ARG 15 1.070 11.420 -6.990
135 HH22 ARG 15 2HH2 ARG 15 2.345 10.265 -6.733
136 H GLU 16 H GLU 16 -6.213 10.936 -3.082
137 HA GLU 16 HA GLU 16 -8.166 8.783 -2.725
138 HB2 GLU 16 1HB GLU 16 -8.358 11.559 -1.560
139 HB3 GLU 16 2HB GLU 16 -9.771 10.548 -1.818
140 HG2 GLU 16 1HG GLU 16 -8.891 8.879 -0.303
141 HG3 GLU 16 2HG GLU 16 -7.417 9.826 -0.088
142 H LYS 17 H LYS 17 -8.388 8.531 -4.909
143 HA LYS 17 HA LYS 17 -9.108 10.893 -6.488
144 HB2 LYS 17 1HB LYS 17 -8.582 8.076 -7.446
145 HB3 LYS 17 2HB LYS 17 -8.736 9.515 -8.444
146 HG2 LYS 17 1HG LYS 17 -6.705 10.428 -7.370
147 HG3 LYS 17 2HG LYS 17 -6.534 8.913 -6.481
148 HD2 LYS 17 1HD LYS 17 -6.438 9.292 -9.472
149 HD3 LYS 17 2HD LYS 17 -5.097 8.858 -8.413
150 HE2 LYS 17 1HE LYS 17 -7.560 7.190 -8.919
151 HE3 LYS 17 2HE LYS 17 -5.971 6.917 -9.629
152 HZ1 LYS 17 3HZ LYS 17 -6.363 5.465 -7.746
153 HZ2 LYS 17 1HZ LYS 17 -6.620 6.793 -6.724
154 HZ3 LYS 17 2HZ LYS 17 -5.094 6.526 -7.413
155 HA PRO 18 HA PRO 18 -13.408 9.665 -5.989
156 HB2 PRO 18 1HB PRO 18 -14.334 11.587 -7.738
157 HB3 PRO 18 2HB PRO 18 -14.049 11.855 -6.015
158 HG2 PRO 18 1HG PRO 18 -12.321 12.538 -8.354
159 HG3 PRO 18 2HG PRO 18 -12.625 13.464 -6.872
160 HD2 PRO 18 1HD PRO 18 -10.354 12.062 -7.242
161 HD3 PRO 18 2HD PRO 18 -11.106 12.231 -5.642
162 H VAL 19 H VAL 19 -13.814 7.809 -7.009
163 HA VAL 19 HA VAL 19 -13.601 7.708 -9.936
164 HB VAL 19 HB VAL 19 -13.853 5.419 -7.969
165 HG11 VAL 19 1HG1 VAL 19 -13.339 5.406 -10.942
166 HG12 VAL 19 2HG1 VAL 19 -14.818 4.880 -10.136
167 HG13 VAL 19 3HG1 VAL 19 -13.314 3.991 -9.889
168 HG21 VAL 19 3HG2 VAL 19 -11.696 6.525 -7.769
169 HG22 VAL 19 1HG2 VAL 19 -11.453 6.402 -9.511
170 HG23 VAL 19 2HG2 VAL 19 -11.511 4.942 -8.523
171 H ASN 20 H ASN 20 -15.434 8.116 -10.943
172 HA ASN 20 HA ASN 20 -17.970 7.892 -9.579
173 HB2 ASN 20 1HB ASN 20 -17.244 8.799 -12.370
174 HB3 ASN 20 2HB ASN 20 -18.886 8.798 -11.737
175 HD21 ASN 20 2HD2 ASN 20 -17.104 10.974 -12.640
176 HD22 ASN 20 1HD2 ASN 20 -17.030 12.091 -11.324
177 H ASP 21 H ASP 21 -17.323 5.467 -9.460
178 HA ASP 21 HA ASP 21 -18.520 4.068 -11.756
179 HB2 ASP 21 1HB ASP 21 -16.205 3.389 -10.877
180 HB3 ASP 21 2HB ASP 21 -17.045 2.773 -9.459
181 H ARG 22 H ARG 22 -20.664 4.380 -11.323
182 HA ARG 22 HA ARG 22 -21.628 4.130 -8.595
183 HB2 ARG 22 1HB ARG 22 -23.057 4.882 -11.149
184 HB3 ARG 22 2HB ARG 22 -23.801 4.865 -9.558
185 HG2 ARG 22 1HG ARG 22 -22.262 6.606 -8.811
186 HG3 ARG 22 2HG ARG 22 -21.499 6.616 -10.404
187 HD2 ARG 22 1HD ARG 22 -23.680 7.228 -11.400
188 HD3 ARG 22 2HD ARG 22 -24.370 7.307 -9.780
189 HE ARG 22 HE ARG 22 -22.364 9.029 -9.544
190 HH11 ARG 22 1HH1 ARG 22 -24.738 8.650 -12.083
191 HH12 ARG 22 2HH1 ARG 22 -24.690 10.321 -12.559
192 HH21 ARG 22 1HH2 ARG 22 -22.308 11.249 -10.169
193 HH22 ARG 22 2HH2 ARG 22 -23.318 11.789 -11.471
194 H ARG 23 H ARG 23 -21.877 2.089 -7.925
195 HA ARG 23 HA ARG 23 -22.772 -0.080 -9.484
196 HB2 ARG 23 1HB ARG 23 -21.658 -0.454 -7.362
197 HB3 ARG 23 2HB ARG 23 -22.927 0.402 -6.499
198 HG2 ARG 23 1HG ARG 23 -24.520 -1.338 -7.061
199 HG3 ARG 23 2HG ARG 23 -23.289 -2.183 -8.003
200 HD2 ARG 23 1HD ARG 23 -21.960 -2.528 -6.006
201 HD3 ARG 23 2HD ARG 23 -23.119 -1.606 -5.049
202 HE ARG 23 HE ARG 23 -24.721 -3.385 -5.400
203 HH11 ARG 23 1HH1 ARG 23 -21.426 -4.105 -6.360
204 HH12 ARG 23 2HH1 ARG 23 -21.593 -5.816 -6.110
205 HH21 ARG 23 1HH2 ARG 23 -24.951 -5.648 -5.084
206 HH22 ARG 23 2HH2 ARG 23 -23.598 -6.699 -5.401
207 H SER 24 H SER 24 -24.410 2.460 -7.768
208 HA SER 24 HA SER 24 -27.018 1.418 -7.769
209 HB2 SER 24 1HB SER 24 -26.300 4.341 -7.998
210 HB3 SER 24 2HB SER 24 -27.708 3.624 -7.211
211 HG SER 24 HG SER 24 -26.483 2.994 -5.539
212 H ARG 25 H ARG 25 -25.086 2.925 -10.245
213 HA ARG 25 HA ARG 25 -25.398 3.271 -12.466
214 HB2 ARG 25 1HB ARG 25 -27.621 1.287 -11.988
215 HB3 ARG 25 2HB ARG 25 -27.160 1.858 -13.586
216 HG2 ARG 25 1HG ARG 25 -25.035 0.850 -13.444
217 HG3 ARG 25 2HG ARG 25 -25.205 0.564 -11.712
218 HD2 ARG 25 1HD ARG 25 -26.886 -1.093 -12.081
219 HD3 ARG 25 2HD ARG 25 -26.974 -0.697 -13.797
220 HE ARG 25 HE ARG 25 -25.006 -1.865 -14.168
221 HH11 ARG 25 1HH1 ARG 25 -25.688 -1.722 -10.727
222 HH12 ARG 25 2HH1 ARG 25 -24.600 -3.013 -10.337
223 HH21 ARG 25 1HH2 ARG 25 -23.588 -3.555 -13.648
224 HH22 ARG 25 2HH2 ARG 25 -23.388 -4.047 -11.991
225 H GLN 26 H GLN 26 -26.703 4.997 -10.518
226 HA GLN 26 HA GLN 26 -29.187 5.820 -11.776
227 HB2 GLN 26 1HB GLN 26 -27.681 6.916 -9.394
228 HB3 GLN 26 2HB GLN 26 -29.240 7.507 -9.949
229 HG2 GLN 26 1HG GLN 26 -30.297 5.440 -9.405
230 HG3 GLN 26 2HG GLN 26 -28.744 4.676 -9.067
231 HE21 GLN 26 2HE2 GLN 26 -31.109 5.037 -7.361
232 HE22 GLN 26 1HE2 GLN 26 -30.549 5.895 -5.964
233 H GLN 27 H GLN 27 -29.528 7.869 -12.682
234 HA GLN 27 HA GLN 27 -27.178 9.192 -13.775
235 HB2 GLN 27 1HB GLN 27 -29.195 8.834 -15.164
236 HB3 GLN 27 2HB GLN 27 -30.127 9.830 -14.056
237 HG2 GLN 27 1HG GLN 27 -28.688 11.748 -14.619
238 HG3 GLN 27 2HG GLN 27 -27.832 10.734 -15.779
239 HE21 GLN 27 2HE2 GLN 27 -29.413 13.172 -16.166
240 HE22 GLN 27 1HE2 GLN 27 -30.637 12.762 -17.320
241 H GLU 28 H GLU 28 -29.243 9.372 -11.121
242 HA GLU 28 HA GLU 28 -29.194 12.113 -10.496
243 HB2 GLU 28 1HB GLU 28 -29.482 9.680 -8.723
244 HB3 GLU 28 2HB GLU 28 -29.781 11.333 -8.202
245 HG2 GLU 28 1HG GLU 28 -31.643 11.551 -9.633
246 HG3 GLU 28 2HG GLU 28 -31.236 10.074 -10.505
247 H VAL 29 H VAL 29 -28.102 13.002 -8.536
248 HA VAL 29 HA VAL 29 -25.249 12.431 -8.757
249 HB VAL 29 HB VAL 29 -26.478 14.687 -7.180
250 HG11 VAL 29 1HG1 VAL 29 -24.377 15.822 -7.716
251 HG12 VAL 29 2HG1 VAL 29 -23.841 14.402 -8.613
252 HG13 VAL 29 3HG1 VAL 29 -24.095 14.300 -6.871
253 HG21 VAL 29 3HG2 VAL 29 -26.337 16.093 -9.179
254 HG22 VAL 29 1HG2 VAL 29 -27.479 14.766 -9.400
255 HG23 VAL 29 2HG2 VAL 29 -25.878 14.685 -10.136
256 H SER 30 H SER 30 -27.418 10.949 -7.125
257 HA SER 30 HA SER 30 -26.838 11.334 -4.386
258 HB2 SER 30 1HB SER 30 -27.995 8.897 -5.760
259 HB3 SER 30 2HB SER 30 -28.101 9.273 -4.040
260 HG SER 30 HG SER 30 -29.997 9.873 -5.177
261 HA PRO 31 HA PRO 31 -23.029 8.933 -4.465
262 HB2 PRO 31 1HB PRO 31 -21.975 9.938 -2.228
263 HB3 PRO 31 2HB PRO 31 -22.058 10.904 -3.708
264 HG2 PRO 31 1HG PRO 31 -23.778 11.013 -1.272
265 HG3 PRO 31 2HG PRO 31 -23.193 12.337 -2.294
266 HD2 PRO 31 1HD PRO 31 -25.726 11.174 -2.428
267 HD3 PRO 31 2HD PRO 31 -24.978 12.173 -3.689
268 H ALA 32 H ALA 32 -25.736 8.236 -3.139
269 HA ALA 32 HA ALA 32 -25.201 7.057 -0.628
270 HB1 ALA 32 3HB ALA 32 -27.391 6.407 -2.596
271 HB2 ALA 32 1HB ALA 32 -27.459 7.655 -1.353
272 HB3 ALA 32 2HB ALA 32 -27.359 5.957 -0.892
273 H GLY 33 H GLY 33 -24.921 5.906 -3.919
274 HA2 GLY 33 1HA GLY 33 -24.243 3.215 -2.954
275 HA3 GLY 33 2HA GLY 33 -24.603 3.648 -4.621
276 H THR 34 H THR 34 -22.465 5.523 -2.603
277 HA THR 34 HA THR 34 -20.095 4.332 -3.802
278 HB THR 34 HB THR 34 -20.676 7.292 -4.088
279 HG1 THR 34 HG1 THR 34 -21.335 5.146 -5.647
280 HG21 THR 34 3HG2 THR 34 -18.675 7.298 -5.510
281 HG22 THR 34 1HG2 THR 34 -18.430 5.584 -5.174
282 HG23 THR 34 2HG2 THR 34 -18.291 6.767 -3.872
283 H SER 35 H SER 35 -18.414 4.355 -2.405
284 HA SER 35 HA SER 35 -18.646 6.064 -0.020
285 HB2 SER 35 1HB SER 35 -17.275 3.372 -0.261
286 HB3 SER 35 2HB SER 35 -17.421 4.338 1.209
287 HG SER 35 HG SER 35 -19.853 4.070 0.254
288 H MET 36 H MET 36 -16.559 6.718 0.940
289 HA MET 36 HA MET 36 -14.840 7.791 -1.078
290 HB2 MET 36 1HB MET 36 -14.567 7.773 1.935
291 HB3 MET 36 2HB MET 36 -13.532 8.682 0.841
292 HG2 MET 36 1HG MET 36 -15.530 9.915 0.054
293 HG3 MET 36 2HG MET 36 -16.487 9.064 1.265
294 HE1 MET 36 3HE MET 36 -12.793 10.398 1.570
295 HE2 MET 36 1HE MET 36 -13.068 12.001 2.251
296 HE3 MET 36 2HE MET 36 -13.609 11.634 0.614
297 H ARG 37 H ARG 37 -12.704 7.290 -1.519
298 HA ARG 37 HA ARG 37 -11.872 4.624 -0.599
299 HB2 ARG 37 1HB ARG 37 -11.360 5.911 -3.289
300 HB3 ARG 37 2HB ARG 37 -10.801 4.321 -2.792
301 HG2 ARG 37 1HG ARG 37 -13.099 3.542 -2.629
302 HG3 ARG 37 2HG ARG 37 -13.686 5.147 -3.073
303 HD2 ARG 37 1HD ARG 37 -12.528 4.954 -5.234
304 HD3 ARG 37 2HD ARG 37 -11.983 3.338 -4.788
305 HE ARG 37 HE ARG 37 -14.814 3.546 -4.618
306 HH11 ARG 37 1HH1 ARG 37 -12.196 3.222 -6.919
307 HH12 ARG 37 2HH1 ARG 37 -13.174 2.435 -8.121
308 HH21 ARG 37 1HH2 ARG 37 -16.116 2.500 -6.230
309 HH22 ARG 37 2HH2 ARG 37 -15.375 2.037 -7.731
310 H TYR 38 H TYR 38 -10.334 4.970 0.876
311 HA TYR 38 HA TYR 38 -8.357 7.068 0.518
312 HB2 TYR 38 1HB TYR 38 -8.815 5.019 2.694
313 HB3 TYR 38 2HB TYR 38 -7.427 6.100 2.680
314 HD1 TYR 38 HD2 TYR 38 -11.098 5.935 2.990
315 HD2 TYR 38 HD1 TYR 38 -7.640 8.394 3.285
316 HE1 TYR 38 HE2 TYR 38 -12.431 7.665 4.122
317 HE2 TYR 38 HE1 TYR 38 -8.960 10.127 4.419
318 HH TYR 38 HH TYR 38 -11.319 10.832 4.582
319 H GLU 39 H GLU 39 -6.787 6.665 -0.893
320 HA GLU 39 HA GLU 39 -6.008 3.872 -1.335
321 HB2 GLU 39 1HB GLU 39 -5.460 6.243 -3.122
322 HB3 GLU 39 2HB GLU 39 -5.336 4.538 -3.536
323 HG2 GLU 39 1HG GLU 39 -7.735 4.288 -3.379
324 HG3 GLU 39 2HG GLU 39 -7.901 5.961 -2.850
325 H ALA 40 H ALA 40 -3.877 3.262 -1.333
326 HA ALA 40 HA ALA 40 -1.970 5.242 -0.278
327 HB1 ALA 40 3HB ALA 40 -0.869 3.418 0.912
328 HB2 ALA 40 1HB ALA 40 -2.060 2.279 0.284
329 HB3 ALA 40 2HB ALA 40 -2.560 3.554 1.396
330 H SER 41 H SER 41 -0.198 5.562 -1.428
331 HA SER 41 HA SER 41 0.200 3.930 -3.813
332 HB2 SER 41 1HB SER 41 1.544 6.519 -3.008
333 HB3 SER 41 2HB SER 41 1.593 5.754 -4.598
334 HG SER 41 HG SER 41 -0.949 6.148 -3.680
335 H PHE 42 H PHE 42 1.673 2.398 -3.853
336 HA PHE 42 HA PHE 42 3.755 2.386 -1.787
337 HB2 PHE 42 1HB PHE 42 2.759 0.148 -3.568
338 HB3 PHE 42 2HB PHE 42 3.999 -0.013 -2.329
339 HD1 PHE 42 HD2 PHE 42 3.403 0.181 0.051
340 HD2 PHE 42 HD1 PHE 42 0.448 0.211 -3.010
341 HE1 PHE 42 HE2 PHE 42 1.666 -0.295 1.727
342 HE2 PHE 42 HE1 PHE 42 -1.294 -0.264 -1.339
343 HZ PHE 42 HZ PHE 42 -0.685 -0.519 1.034
344 H LYS 43 H LYS 43 5.696 3.006 -2.336
345 HA LYS 43 HA LYS 43 6.402 3.217 -5.160
346 HB2 LYS 43 1HB LYS 43 6.670 5.205 -3.743
347 HB3 LYS 43 2HB LYS 43 7.762 4.314 -2.691
348 HG2 LYS 43 1HG LYS 43 9.266 4.007 -4.672
349 HG3 LYS 43 2HG LYS 43 8.221 5.128 -5.548
350 HD2 LYS 43 1HD LYS 43 8.671 6.858 -3.892
351 HD3 LYS 43 2HD LYS 43 9.685 5.736 -2.980
352 HE2 LYS 43 1HE LYS 43 11.138 5.520 -4.990
353 HE3 LYS 43 2HE LYS 43 10.175 6.776 -5.766
354 HZ1 LYS 43 3HZ LYS 43 10.802 8.292 -3.976
355 HZ2 LYS 43 1HZ LYS 43 12.164 7.699 -4.797
356 HZ3 LYS 43 2HZ LYS 43 11.757 7.081 -3.269
357 HA PRO 44 HA PRO 44 9.061 -0.371 -4.801
358 HB2 PRO 44 1HB PRO 44 10.099 0.485 -7.406
359 HB3 PRO 44 2HB PRO 44 9.228 -0.990 -6.979
360 HG2 PRO 44 1HG PRO 44 8.109 0.949 -8.475
361 HG3 PRO 44 2HG PRO 44 7.165 -0.035 -7.341
362 HD2 PRO 44 1HD PRO 44 8.226 2.749 -7.006
363 HD3 PRO 44 2HD PRO 44 6.638 2.086 -6.559
364 H LEU 45 H LEU 45 10.932 -0.459 -3.770
365 HA LEU 45 HA LEU 45 12.543 1.776 -3.267
366 HB2 LEU 45 1HB LEU 45 13.045 -1.167 -2.876
367 HB3 LEU 45 2HB LEU 45 14.155 0.074 -2.326
368 HG LEU 45 HG LEU 45 11.291 -0.208 -1.410
369 HD11 LEU 45 1HD1 LEU 45 13.879 -0.908 -0.027
370 HD12 LEU 45 2HD1 LEU 45 12.674 -2.052 -0.620
371 HD13 LEU 45 3HD1 LEU 45 12.275 -0.958 0.705
372 HD21 LEU 45 3HD2 LEU 45 12.097 2.094 -1.361
373 HD22 LEU 45 1HD2 LEU 45 13.529 1.582 -0.467
374 HD23 LEU 45 2HD2 LEU 45 11.932 1.449 0.273
375 H ASN 46 H ASN 46 12.643 -0.481 -5.882
376 HA ASN 46 HA ASN 46 15.398 0.313 -6.507
377 HB2 ASN 46 1HB ASN 46 13.824 -2.055 -7.544
378 HB3 ASN 46 2HB ASN 46 15.505 -1.691 -7.924
379 HD21 ASN 46 2HD2 ASN 46 17.090 -1.985 -6.343
380 HD22 ASN 46 1HD2 ASN 46 16.797 -2.931 -4.919
381 H GLY 47 H GLY 47 12.882 1.778 -7.034
382 HA2 GLY 47 1HA GLY 47 12.595 3.402 -8.723
383 HA3 GLY 47 2HA GLY 47 13.476 2.364 -9.835
384 H GLY 48 H GLY 48 10.774 3.742 -9.870
385 HA2 GLY 48 1HA GLY 48 9.333 2.356 -11.594
386 HA3 GLY 48 2HA GLY 48 8.958 1.477 -10.117
387 H LEU 49 H LEU 49 6.851 2.530 -11.316
388 HA LEU 49 HA LEU 49 6.331 5.171 -10.208
389 HB2 LEU 49 1HB LEU 49 4.556 3.329 -11.814
390 HB3 LEU 49 2HB LEU 49 4.158 4.974 -11.350
391 HG LEU 49 HG LEU 49 6.361 4.122 -13.229
392 HD11 LEU 49 1HD1 LEU 49 4.128 4.004 -14.193
393 HD12 LEU 49 2HD1 LEU 49 5.055 5.327 -14.899
394 HD13 LEU 49 3HD1 LEU 49 3.815 5.665 -13.691
395 HD21 LEU 49 3HD2 LEU 49 7.066 6.040 -11.895
396 HD22 LEU 49 1HD2 LEU 49 5.576 6.887 -12.316
397 HD23 LEU 49 2HD2 LEU 49 6.759 6.507 -13.568
398 H GLU 50 H GLU 50 4.601 5.596 -8.778
399 HA GLU 50 HA GLU 50 4.420 3.784 -6.620
400 HB2 GLU 50 1HB GLU 50 2.714 6.199 -7.240
401 HB3 GLU 50 2HB GLU 50 2.788 5.373 -5.691
402 HG2 GLU 50 1HG GLU 50 5.126 5.998 -5.455
403 HG3 GLU 50 2HG GLU 50 5.078 6.794 -7.029
404 H LYS 51 H LYS 51 3.095 2.125 -6.316
405 HA LYS 51 HA LYS 51 0.861 1.718 -8.135
406 HB2 LYS 51 1HB LYS 51 2.137 -0.006 -6.014
407 HB3 LYS 51 2HB LYS 51 0.649 -0.466 -6.832
408 HG2 LYS 51 1HG LYS 51 1.755 -0.522 -8.952
409 HG3 LYS 51 2HG LYS 51 3.230 0.142 -8.251
410 HD2 LYS 51 1HD LYS 51 3.576 -1.852 -6.953
411 HD3 LYS 51 2HD LYS 51 2.011 -2.498 -7.452
412 HE2 LYS 51 1HE LYS 51 3.993 -3.459 -8.656
413 HE3 LYS 51 2HE LYS 51 2.746 -2.774 -9.696
414 HZ1 LYS 51 3HZ LYS 51 4.052 -0.867 -10.094
415 HZ2 LYS 51 1HZ LYS 51 5.088 -2.193 -10.298
416 HZ3 LYS 51 2HZ LYS 51 5.165 -1.269 -8.882
417 H THR 52 H THR 52 -0.870 2.890 -7.643
418 HA THR 52 HA THR 52 -1.522 3.510 -4.898
419 HB THR 52 HB THR 52 -3.168 4.169 -7.342
420 HG1 THR 52 HG1 THR 52 -1.181 5.042 -7.789
421 HG21 THR 52 3HG2 THR 52 -3.893 6.075 -5.980
422 HG22 THR 52 1HG2 THR 52 -2.878 5.512 -4.651
423 HG23 THR 52 2HG2 THR 52 -4.254 4.544 -5.183
424 H PHE 53 H PHE 53 -2.219 1.683 -3.874
425 HA PHE 53 HA PHE 53 -4.465 0.220 -5.052
426 HB2 PHE 53 1HB PHE 53 -2.702 -0.381 -2.672
427 HB3 PHE 53 2HB PHE 53 -4.125 -1.331 -3.085
428 HD1 PHE 53 HD2 PHE 53 -4.174 -2.107 -5.632
429 HD2 PHE 53 HD1 PHE 53 -0.669 -1.137 -3.424
430 HE1 PHE 53 HE2 PHE 53 -2.828 -3.463 -7.182
431 HE2 PHE 53 HE1 PHE 53 0.685 -2.489 -4.971
432 HZ PHE 53 HZ PHE 53 -0.396 -3.655 -6.853
433 H ARG 54 H ARG 54 -6.465 0.144 -4.089
434 HA ARG 54 HA ARG 54 -7.038 2.497 -2.493
435 HB2 ARG 54 1HB ARG 54 -9.122 0.560 -3.434
436 HB3 ARG 54 2HB ARG 54 -9.245 2.301 -3.208
437 HG2 ARG 54 1HG ARG 54 -7.682 2.564 -5.155
438 HG3 ARG 54 2HG ARG 54 -7.862 0.830 -5.435
439 HD2 ARG 54 1HD ARG 54 -10.399 1.351 -5.382
440 HD3 ARG 54 2HD ARG 54 -9.889 3.011 -5.680
441 HE ARG 54 HE ARG 54 -9.601 0.734 -7.499
442 HH11 ARG 54 1HH1 ARG 54 -8.948 4.128 -6.876
443 HH12 ARG 54 2HH1 ARG 54 -8.818 4.523 -8.570
444 HH21 ARG 54 1HH2 ARG 54 -9.389 1.266 -9.699
445 HH22 ARG 54 2HH2 ARG 54 -9.049 2.904 -10.163
446 H LEU 55 H LEU 55 -7.836 2.501 -0.458
447 HA LEU 55 HA LEU 55 -8.164 -0.086 0.898
448 HB2 LEU 55 1HB LEU 55 -6.539 2.280 1.838
449 HB3 LEU 55 2HB LEU 55 -6.976 0.926 2.863
450 HG LEU 55 HG LEU 55 -5.287 0.704 0.368
451 HD11 LEU 55 1HD1 LEU 55 -4.149 1.997 2.092
452 HD12 LEU 55 2HD1 LEU 55 -3.412 0.404 1.911
453 HD13 LEU 55 3HD1 LEU 55 -4.482 0.732 3.274
454 HD21 LEU 55 3HD2 LEU 55 -4.774 -1.528 1.223
455 HD22 LEU 55 1HD2 LEU 55 -6.502 -1.341 0.926
456 HD23 LEU 55 2HD2 LEU 55 -5.877 -1.266 2.574
457 H GLN 56 H GLN 56 -9.135 0.232 3.105
458 HA GLN 56 HA GLN 56 -11.247 2.257 3.020
459 HB2 GLN 56 1HB GLN 56 -10.845 -0.086 4.897
460 HB3 GLN 56 2HB GLN 56 -12.252 0.967 4.862
461 HG2 GLN 56 1HG GLN 56 -12.822 0.193 2.646
462 HG3 GLN 56 2HG GLN 56 -11.361 -0.791 2.587
463 HE21 GLN 56 2HE2 GLN 56 -14.152 -1.577 2.339
464 HE22 GLN 56 1HE2 GLN 56 -14.434 -2.757 3.573
465 H ALA 57 H ALA 57 -11.775 3.221 5.275
466 HA ALA 57 HA ALA 57 -9.523 4.715 6.131
467 HB1 ALA 57 3HB ALA 57 -11.011 5.643 7.831
468 HB2 ALA 57 1HB ALA 57 -12.204 4.391 7.483
469 HB3 ALA 57 2HB ALA 57 -11.806 5.596 6.258
470 H GLN 58 H GLN 58 -11.235 1.939 7.434
471 HA GLN 58 HA GLN 58 -9.847 1.638 9.848
472 HB2 GLN 58 1HB GLN 58 -11.837 0.366 9.463
473 HB3 GLN 58 2HB GLN 58 -11.164 -0.367 8.015
474 HG2 GLN 58 1HG GLN 58 -9.541 -1.577 9.380
475 HG3 GLN 58 2HG GLN 58 -10.215 -0.839 10.833
476 HE21 GLN 58 2HE2 GLN 58 -10.007 -3.655 9.941
477 HE22 GLN 58 1HE2 GLN 58 -11.623 -4.273 10.029
478 H GLN 59 H GLN 59 -9.137 0.467 6.593
479 HA GLN 59 HA GLN 59 -6.853 -1.048 7.339
480 HB2 GLN 59 1HB GLN 59 -7.852 -0.017 4.692
481 HB3 GLN 59 2HB GLN 59 -6.378 -0.965 4.844
482 HG2 GLN 59 1HG GLN 59 -7.580 -2.847 5.664
483 HG3 GLN 59 2HG GLN 59 -9.064 -1.907 5.810
484 HE21 GLN 59 2HE2 GLN 59 -8.434 -4.365 4.293
485 HE22 GLN 59 1HE2 GLN 59 -8.877 -4.006 2.658
486 H TYR 60 H TYR 60 -7.346 2.262 6.220
487 HA TYR 60 HA TYR 60 -4.608 2.888 5.877
488 HB2 TYR 60 1HB TYR 60 -6.334 4.308 4.906
489 HB3 TYR 60 2HB TYR 60 -6.954 4.699 6.507
490 HD1 TYR 60 HD2 TYR 60 -3.793 4.910 4.522
491 HD2 TYR 60 HD1 TYR 60 -6.256 6.670 7.513
492 HE1 TYR 60 HE2 TYR 60 -2.257 6.827 4.651
493 HE2 TYR 60 HE1 TYR 60 -4.726 8.589 7.651
494 HH TYR 60 HH TYR 60 -2.341 9.073 7.174
495 H HIS 61 H HIS 61 -6.645 2.622 8.652
496 HA HIS 61 HA HIS 61 -4.963 4.102 10.440
497 HB2 HIS 61 1HB HIS 61 -7.394 3.782 10.824
498 HB3 HIS 61 2HB HIS 61 -7.119 2.060 11.050
499 HD1 HIS 61 HD1 HIS 61 -6.155 5.368 12.658
500 HD2 HIS 61 HD2 HIS 61 -6.589 1.344 13.627
501 HE1 HIS 61 HE1 HIS 61 -5.860 5.234 15.149
502 HE2 HIS 61 HE2 HIS 61 -5.977 2.780 15.698
503 H ALA 62 H ALA 62 -4.633 1.132 8.943
504 HA ALA 62 HA ALA 62 -3.315 -0.191 11.171
505 HB1 ALA 62 3HB ALA 62 -4.796 -1.488 9.716
506 HB2 ALA 62 1HB ALA 62 -3.148 -2.116 9.701
507 HB3 ALA 62 2HB ALA 62 -3.736 -1.152 8.346
508 H LEU 63 H LEU 63 -2.459 1.459 8.190
509 HA LEU 63 HA LEU 63 0.361 0.797 8.721
510 HB2 LEU 63 1HB LEU 63 0.868 0.810 6.444
511 HB3 LEU 63 2HB LEU 63 -0.649 -0.056 6.547
512 HG LEU 63 HG LEU 63 -0.418 2.846 5.737
513 HD11 LEU 63 1HD1 LEU 63 0.718 1.416 4.127
514 HD12 LEU 63 2HD1 LEU 63 -0.781 2.054 3.455
515 HD13 LEU 63 3HD1 LEU 63 -0.709 0.386 4.020
516 HD21 LEU 63 3HD2 LEU 63 -2.696 2.462 4.847
517 HD22 LEU 63 1HD2 LEU 63 -2.604 2.327 6.602
518 HD23 LEU 63 2HD2 LEU 63 -2.692 0.871 5.611
519 H THR 64 H THR 64 1.914 2.481 7.909
520 HA THR 64 HA THR 64 0.853 5.176 8.457
521 HB THR 64 HB THR 64 3.575 4.132 9.262
522 HG1 THR 64 HG1 THR 64 1.161 4.412 10.745
523 HG21 THR 64 3HG2 THR 64 3.504 6.552 8.929
524 HG22 THR 64 1HG2 THR 64 3.685 6.155 10.638
525 HG23 THR 64 2HG2 THR 64 2.116 6.664 10.012
526 H VAL 65 H VAL 65 1.557 6.821 7.130
527 HA VAL 65 HA VAL 65 2.865 6.166 4.684
528 HB VAL 65 HB VAL 65 2.178 8.831 5.935
529 HG11 VAL 65 1HG1 VAL 65 4.150 9.122 4.520
530 HG12 VAL 65 2HG1 VAL 65 2.728 9.858 3.780
531 HG13 VAL 65 3HG1 VAL 65 3.326 8.307 3.192
532 HG21 VAL 65 3HG2 VAL 65 0.282 7.496 5.198
533 HG22 VAL 65 1HG2 VAL 65 1.019 7.302 3.607
534 HG23 VAL 65 2HG2 VAL 65 0.494 8.898 4.146
535 H GLY 66 H GLY 66 4.960 5.944 4.320
536 HA2 GLY 66 1HA GLY 66 7.247 6.618 4.527
537 HA3 GLY 66 2HA GLY 66 6.881 7.255 6.125
538 H ASP 67 H ASP 67 5.249 4.556 6.317
539 HA ASP 67 HA ASP 67 7.361 3.205 7.740
540 HB2 ASP 67 1HB ASP 67 4.939 3.312 8.491
541 HB3 ASP 67 2HB ASP 67 4.580 2.144 7.226
542 H GLN 68 H GLN 68 8.830 2.568 6.231
543 HA GLN 68 HA GLN 68 8.203 1.103 3.892
544 HB2 GLN 68 1HB GLN 68 10.808 0.960 5.413
545 HB3 GLN 68 2HB GLN 68 10.551 0.696 3.694
546 HG2 GLN 68 1HG GLN 68 9.845 3.104 3.541
547 HG3 GLN 68 2HG GLN 68 10.414 3.294 5.198
548 HE21 GLN 68 2HE2 GLN 68 11.368 4.630 2.856
549 HE22 GLN 68 1HE2 GLN 68 13.043 4.212 2.667
550 H GLY 69 H GLY 69 7.735 -0.986 3.606
551 HA2 GLY 69 1HA GLY 69 8.484 -3.010 5.519
552 HA3 GLY 69 2HA GLY 69 6.773 -2.605 5.557
553 H THR 70 H THR 70 6.662 -4.961 4.957
554 HA THR 70 HA THR 70 7.470 -5.520 2.203
555 HB THR 70 HB THR 70 6.419 -7.435 4.296
556 HG1 THR 70 HG1 THR 70 8.608 -6.180 4.466
557 HG21 THR 70 3HG2 THR 70 6.199 -8.255 1.991
558 HG22 THR 70 1HG2 THR 70 7.431 -9.159 2.872
559 HG23 THR 70 2HG2 THR 70 7.908 -7.922 1.709
560 H LEU 71 H LEU 71 6.049 -5.988 0.595
561 HA LEU 71 HA LEU 71 3.185 -5.771 1.259
562 HB2 LEU 71 1HB LEU 71 3.989 -3.846 -0.008
563 HB3 LEU 71 2HB LEU 71 4.652 -4.905 -1.236
564 HG LEU 71 HG LEU 71 2.348 -5.654 -1.786
565 HD11 LEU 71 1HD1 LEU 71 1.530 -3.474 0.129
566 HD12 LEU 71 2HD1 LEU 71 1.293 -5.206 0.363
567 HD13 LEU 71 3HD1 LEU 71 0.450 -4.369 -0.941
568 HD21 LEU 71 3HD2 LEU 71 1.683 -3.593 -2.927
569 HD22 LEU 71 1HD2 LEU 71 3.416 -3.889 -3.076
570 HD23 LEU 71 2HD2 LEU 71 2.822 -2.680 -1.938
571 H SER 72 H SER 72 1.917 -7.403 0.695
572 HA SER 72 HA SER 72 3.021 -9.542 -0.994
573 HB2 SER 72 1HB SER 72 0.620 -9.592 0.853
574 HB3 SER 72 2HB SER 72 1.342 -10.972 0.026
575 HG SER 72 HG SER 72 2.924 -9.383 1.715
576 H TYR 73 H TYR 73 2.415 -9.440 -3.058
577 HA TYR 73 HA TYR 73 -0.349 -8.713 -3.690
578 HB2 TYR 73 1HB TYR 73 0.381 -7.210 -5.494
579 HB3 TYR 73 2HB TYR 73 0.931 -6.638 -3.925
580 HD1 TYR 73 HD1 TYR 73 3.347 -6.894 -3.304
581 HD2 TYR 73 HD2 TYR 73 1.922 -7.759 -7.217
582 HE1 TYR 73 HE1 TYR 73 5.648 -6.764 -4.165
583 HE2 TYR 73 HE2 TYR 73 4.217 -7.636 -8.088
584 HH TYR 73 HH TYR 73 6.938 -7.688 -6.126
585 H LYS 74 H LYS 74 -0.811 -9.149 -6.050
586 HA LYS 74 HA LYS 74 0.950 -11.161 -7.241
587 HB2 LYS 74 1HB LYS 74 -2.047 -11.489 -6.936
588 HB3 LYS 74 2HB LYS 74 -1.023 -12.520 -7.924
589 HG2 LYS 74 1HG LYS 74 0.241 -13.119 -5.861
590 HG3 LYS 74 2HG LYS 74 -0.963 -12.223 -4.931
591 HD2 LYS 74 1HD LYS 74 -2.721 -13.691 -5.813
592 HD3 LYS 74 2HD LYS 74 -1.505 -14.594 -6.720
593 HE2 LYS 74 1HE LYS 74 -0.378 -15.111 -4.558
594 HE3 LYS 74 2HE LYS 74 -1.730 -14.348 -3.724
595 HZ1 LYS 74 3HZ LYS 74 -1.850 -16.747 -5.470
596 HZ2 LYS 74 1HZ LYS 74 -3.208 -15.977 -4.804
597 HZ3 LYS 74 2HZ LYS 74 -2.061 -16.704 -3.787
598 H GLY 75 H GLY 75 1.627 -9.631 -8.716
599 HA2 GLY 75 1HA GLY 75 1.513 -8.377 -10.653
600 HA3 GLY 75 2HA GLY 75 -0.128 -8.976 -10.889
601 H THR 76 H THR 76 -1.231 -7.095 -11.279
602 HA THR 76 HA THR 76 -0.890 -4.871 -9.439
603 HB THR 76 HB THR 76 -2.902 -5.024 -11.690
604 HG1 THR 76 HG1 THR 76 -1.299 -4.840 -13.050
605 HG21 THR 76 3HG2 THR 76 -3.192 -3.191 -10.088
606 HG22 THR 76 1HG2 THR 76 -2.678 -2.579 -11.661
607 HG23 THR 76 2HG2 THR 76 -1.517 -2.700 -10.338
608 H ARG 77 H ARG 77 -1.625 -6.534 -7.749
609 HA ARG 77 HA ARG 77 -4.378 -5.909 -7.125
610 HB2 ARG 77 1HB ARG 77 -4.631 -7.987 -8.399
611 HB3 ARG 77 2HB ARG 77 -3.478 -8.788 -7.338
612 HG2 ARG 77 1HG ARG 77 -4.957 -8.734 -5.511
613 HG3 ARG 77 2HG ARG 77 -6.017 -7.567 -6.303
614 HD2 ARG 77 1HD ARG 77 -5.562 -10.417 -7.182
615 HD3 ARG 77 2HD ARG 77 -6.979 -9.818 -6.319
616 HE ARG 77 HE ARG 77 -6.216 -9.000 -9.055
617 HH11 ARG 77 1HH1 ARG 77 -8.636 -9.597 -6.591
618 HH12 ARG 77 2HH1 ARG 77 -9.976 -9.246 -7.639
619 HH21 ARG 77 1HH2 ARG 77 -7.965 -8.588 -10.449
620 HH22 ARG 77 2HH2 ARG 77 -9.597 -8.699 -9.850
621 H PHE 78 H PHE 78 -4.515 -5.407 -5.083
622 HA PHE 78 HA PHE 78 -2.301 -5.815 -3.300
623 HB2 PHE 78 1HB PHE 78 -3.549 -3.699 -3.328
624 HB3 PHE 78 2HB PHE 78 -5.016 -4.548 -2.864
625 HD1 PHE 78 HD2 PHE 78 -1.707 -3.427 -1.723
626 HD2 PHE 78 HD1 PHE 78 -5.433 -5.148 -0.599
627 HE1 PHE 78 HE2 PHE 78 -1.165 -3.046 0.645
628 HE2 PHE 78 HE1 PHE 78 -4.898 -4.769 1.772
629 HZ PHE 78 HZ PHE 78 -2.761 -3.719 2.397
630 H VAL 79 H VAL 79 -2.042 -7.647 -2.190
631 HA VAL 79 HA VAL 79 -4.408 -9.198 -1.426
632 HB VAL 79 HB VAL 79 -1.485 -9.941 -1.166
633 HG11 VAL 79 1HG1 VAL 79 -2.318 -12.213 -0.793
634 HG12 VAL 79 2HG1 VAL 79 -3.976 -11.614 -0.854
635 HG13 VAL 79 3HG1 VAL 79 -2.900 -11.099 0.445
636 HG21 VAL 79 3HG2 VAL 79 -3.515 -10.771 -3.237
637 HG22 VAL 79 1HG2 VAL 79 -1.883 -11.419 -3.082
638 HG23 VAL 79 2HG2 VAL 79 -2.122 -9.723 -3.502
639 H GLY 80 H GLY 80 -1.446 -7.831 0.000
640 HA2 GLY 80 1HA GLY 80 -2.791 -6.755 2.228
641 HA3 GLY 80 2HA GLY 80 -2.090 -8.301 2.685
642 H PHE 81 H PHE 81 -1.515 -5.360 3.315
643 HA PHE 81 HA PHE 81 1.320 -5.314 2.589
644 HB2 PHE 81 1HB PHE 81 0.096 -3.223 2.230
645 HB3 PHE 81 2HB PHE 81 -0.406 -3.206 3.916
646 HD1 PHE 81 HD2 PHE 81 2.695 -3.305 1.847
647 HD2 PHE 81 HD1 PHE 81 0.814 -1.962 5.421
648 HE1 PHE 81 HE2 PHE 81 4.722 -2.041 2.436
649 HE2 PHE 81 HE1 PHE 81 2.837 -0.696 6.015
650 HZ PHE 81 HZ PHE 81 4.795 -0.734 4.522
651 H VAL 82 H VAL 82 2.813 -5.951 3.985
652 HA VAL 82 HA VAL 82 1.962 -6.415 6.762
653 HB VAL 82 HB VAL 82 4.200 -7.816 5.290
654 HG11 VAL 82 1HG1 VAL 82 4.513 -7.731 7.701
655 HG12 VAL 82 2HG1 VAL 82 4.138 -9.373 7.181
656 HG13 VAL 82 3HG1 VAL 82 2.895 -8.387 7.949
657 HG21 VAL 82 3HG2 VAL 82 2.715 -9.766 5.207
658 HG22 VAL 82 1HG2 VAL 82 2.056 -8.408 4.296
659 HG23 VAL 82 2HG2 VAL 82 1.409 -8.796 5.890
660 H SER 83 H SER 83 2.525 -4.444 7.602
661 HA SER 83 HA SER 83 5.162 -3.372 7.351
662 HB2 SER 83 1HB SER 83 4.381 -1.953 9.322
663 HB3 SER 83 2HB SER 83 3.411 -1.825 7.855
664 HG SER 83 HG SER 83 2.601 -2.492 10.278
665 H ARG 84 H ARG 84 6.564 -3.122 9.383
666 HA ARG 84 HA ARG 84 6.733 -5.802 10.539
667 HB2 ARG 84 1HB ARG 84 8.699 -4.655 9.342
668 HB3 ARG 84 2HB ARG 84 8.845 -3.676 10.798
669 HG2 ARG 84 1HG ARG 84 9.273 -5.604 12.137
670 HG3 ARG 84 2HG ARG 84 8.898 -6.684 10.794
671 HD2 ARG 84 1HD ARG 84 10.820 -5.758 9.558
672 HD3 ARG 84 2HD ARG 84 11.211 -4.758 10.958
673 HE ARG 84 HE ARG 84 11.143 -7.263 11.979
674 HH11 ARG 84 1HH1 ARG 84 12.818 -5.794 9.286
675 HH12 ARG 84 2HH1 ARG 84 14.180 -6.870 9.374
676 HH21 ARG 84 1HH2 ARG 84 12.930 -8.701 12.095
677 HH22 ARG 84 2HH2 ARG 84 14.241 -8.531 10.968
678 H THR 85 H THR 85 5.019 -3.382 11.349
679 HA THR 85 HA THR 85 5.686 -2.780 14.022
680 HB THR 85 HB THR 85 2.841 -2.834 13.698
681 HG1 THR 85 HG1 THR 85 4.240 -1.538 11.562
682 HG21 THR 85 3HG2 THR 85 4.086 -1.250 15.090
683 HG22 THR 85 1HG2 THR 85 3.084 -0.403 13.911
684 HG23 THR 85 2HG2 THR 85 4.822 -0.553 13.647
685 HA PRO 86 HA PRO 86 3.010 -6.656 15.182
686 HB2 PRO 86 1HB PRO 86 2.690 -8.150 12.683
687 HB3 PRO 86 2HB PRO 86 1.468 -7.684 13.868
688 HG2 PRO 86 1HG PRO 86 1.586 -6.568 11.419
689 HG3 PRO 86 2HG PRO 86 1.058 -5.662 12.849
690 HD2 PRO 86 1HD PRO 86 3.723 -5.651 11.477
691 HD3 PRO 86 2HD PRO 86 2.778 -4.286 12.113
692 H ASP 87 H ASP 87 3.397 -9.275 14.556
693 HA ASP 87 HA ASP 87 6.279 -9.465 14.973
694 HB2 ASP 87 1HB ASP 87 4.103 -11.549 15.264
695 HB3 ASP 87 2HB ASP 87 5.792 -11.770 15.711
696 H ASN 88 H ASN 88 4.509 -9.404 12.304
697 HA ASN 88 HA ASN 88 4.582 -10.267 10.201
698 HB2 ASN 88 1HB ASN 88 7.360 -11.000 11.139
699 HB3 ASN 88 2HB ASN 88 6.804 -11.306 9.497
700 HD21 ASN 88 2HD2 ASN 88 6.606 -9.626 8.062
701 HD22 ASN 88 1HD2 ASN 88 7.148 -8.019 8.426
702 H GLU 89 H GLU 89 3.584 -11.874 12.440
703 HA GLU 89 HA GLU 89 4.329 -14.602 12.014
704 HB2 GLU 89 1HB GLU 89 3.495 -13.653 14.178
705 HB3 GLU 89 2HB GLU 89 1.904 -13.507 13.447
706 HG2 GLU 89 1HG GLU 89 1.812 -15.921 13.138
707 HG3 GLU 89 2HG GLU 89 3.419 -16.075 13.850
708 H LEU 90 H LEU 90 2.413 -12.474 10.310
709 HA LEU 90 HA LEU 90 0.454 -14.292 9.295
710 HB2 LEU 90 1HB LEU 90 1.508 -11.728 8.089
711 HB3 LEU 90 2HB LEU 90 0.055 -12.573 7.593
712 HG LEU 90 HG LEU 90 0.480 -11.279 10.289
713 HD11 LEU 90 1HD1 LEU 90 -1.142 -9.628 9.511
714 HD12 LEU 90 2HD1 LEU 90 -1.181 -10.409 7.929
715 HD13 LEU 90 3HD1 LEU 90 0.300 -9.639 8.497
716 HD21 LEU 90 3HD2 LEU 90 -1.011 -13.207 10.400
717 HD22 LEU 90 1HD2 LEU 90 -1.969 -12.551 9.072
718 HD23 LEU 90 2HD2 LEU 90 -1.904 -11.702 10.617
719 H GLU 91 H GLU 91 3.758 -13.631 8.692
720 HA GLU 91 HA GLU 91 3.761 -14.877 6.056
721 HB2 GLU 91 1HB GLU 91 5.967 -13.671 7.728
722 HB3 GLU 91 2HB GLU 91 6.213 -14.392 6.149
723 HG2 GLU 91 1HG GLU 91 4.824 -12.681 5.133
724 HG3 GLU 91 2HG GLU 91 4.519 -11.974 6.724
725 H HIS 92 H HIS 92 4.686 -16.859 5.631
726 HA HIS 92 HA HIS 92 5.798 -18.382 7.835
727 HB2 HIS 92 1HB HIS 92 5.475 -18.986 4.886
728 HB3 HIS 92 2HB HIS 92 6.351 -20.052 5.984
729 HD1 HIS 92 HD1 HIS 92 3.659 -20.810 4.456
730 HD2 HIS 92 HD2 HIS 92 3.994 -19.611 8.430
731 HE1 HIS 92 HE1 HIS 92 1.626 -21.726 5.622
732 HE2 HIS 92 HE2 HIS 92 1.901 -21.082 8.044
733 H HIS 93 H HIS 93 7.795 -18.020 8.484
734 HA HIS 93 HA HIS 93 9.283 -15.941 7.322
735 HB2 HIS 93 1HB HIS 93 10.125 -17.979 9.392
736 HB3 HIS 93 2HB HIS 93 11.041 -16.531 8.980
737 HD1 HIS 93 HD1 HIS 93 9.642 -14.205 9.386
738 HD2 HIS 93 HD2 HIS 93 8.291 -17.598 11.368
739 HE1 HIS 93 HE1 HIS 93 8.142 -13.363 11.214
740 HE2 HIS 93 HE2 HIS 93 7.495 -15.421 12.521
741 H HIS 94 H HIS 94 10.244 -16.021 5.467
742 HA HIS 94 HA HIS 94 11.515 -18.536 4.624
743 HB2 HIS 94 1HB HIS 94 11.166 -17.687 2.292
744 HB3 HIS 94 2HB HIS 94 9.681 -18.000 3.178
745 HD1 HIS 94 HD1 HIS 94 8.300 -15.886 3.950
746 HD2 HIS 94 HD2 HIS 94 11.520 -15.086 1.442
747 HE1 HIS 94 HE1 HIS 94 7.948 -13.536 3.121
748 HE2 HIS 94 HE2 HIS 94 9.775 -13.181 1.423
749 H HIS 95 H HIS 95 12.600 -16.183 6.177
750 HA HIS 95 HA HIS 95 14.940 -15.751 4.444
751 HB2 HIS 95 1HB HIS 95 13.722 -13.971 6.540
752 HB3 HIS 95 2HB HIS 95 15.414 -13.804 6.084
753 HD1 HIS 95 HD1 HIS 95 15.610 -13.720 3.239
754 HD2 HIS 95 HD2 HIS 95 12.193 -12.251 5.113
755 HE1 HIS 95 HE1 HIS 95 14.535 -12.165 1.577
756 HE2 HIS 95 HE2 HIS 95 12.574 -11.153 2.794
757 H HIS 96 H HIS 96 13.882 -16.328 7.772
758 HA HIS 96 HA HIS 96 16.320 -17.916 8.151
759 HB2 HIS 96 1HB HIS 96 15.122 -16.029 10.198
760 HB3 HIS 96 2HB HIS 96 16.432 -17.159 10.512
761 HD1 HIS 96 HD1 HIS 96 15.786 -13.751 9.531
762 HD2 HIS 96 HD2 HIS 96 18.825 -16.517 8.878
763 HE1 HIS 96 HE1 HIS 96 17.782 -12.405 8.785
764 HE2 HIS 96 HE2 HIS 96 19.626 -14.091 8.442
765 H HIS 97 H HIS 97 15.757 -19.950 8.588
766 HA HIS 97 HA HIS 97 13.119 -20.401 9.770
767 HB2 HIS 97 1HB HIS 97 13.370 -22.767 9.052
768 HB3 HIS 97 2HB HIS 97 13.379 -21.627 7.718
769 HD1 HIS 97 HD1 HIS 97 15.353 -21.676 6.170
770 HD2 HIS 97 HD2 HIS 97 15.923 -23.984 9.586
771 HE1 HIS 97 HE1 HIS 97 17.450 -23.002 5.755
772 HE2 HIS 97 HE2 HIS 97 17.873 -24.252 7.906
Start of MODEL 18
1 H1 MET 1 1H MET 1 1.380 -23.400 0.000
2 H2 MET 1 2H MET 1 3.030 -23.096 0.240
3 H3 MET 1 3H MET 1 2.527 -24.601 -0.357
4 HA MET 1 HA MET 1 3.437 -23.278 -2.124
5 HB2 MET 1 1HB MET 1 0.426 -23.560 -2.259
6 HB3 MET 1 2HB MET 1 1.465 -23.276 -3.648
7 HG2 MET 1 1HG MET 1 2.578 -25.395 -3.283
8 HG3 MET 1 2HG MET 1 1.607 -25.676 -1.840
9 HE1 MET 1 3HE MET 1 0.891 -28.056 -2.741
10 HE2 MET 1 1HE MET 1 1.865 -27.806 -4.191
11 HE3 MET 1 2HE MET 1 0.187 -28.330 -4.335
12 H ALA 2 H ALA 2 4.201 -21.273 -2.108
13 HA ALA 2 HA ALA 2 2.267 -19.060 -2.050
14 HB1 ALA 2 3HB ALA 2 3.728 -17.749 -0.598
15 HB2 ALA 2 1HB ALA 2 4.832 -19.119 -0.463
16 HB3 ALA 2 2HB ALA 2 3.202 -19.232 0.199
17 HA PRO 3 HA PRO 3 5.198 -18.303 -5.457
18 HB2 PRO 3 1HB PRO 3 3.225 -18.253 -7.400
19 HB3 PRO 3 2HB PRO 3 4.176 -19.668 -6.950
20 HG2 PRO 3 1HG PRO 3 1.382 -19.252 -6.569
21 HG3 PRO 3 2HG PRO 3 2.350 -20.638 -6.049
22 HD2 PRO 3 1HD PRO 3 1.437 -18.283 -4.501
23 HD3 PRO 3 2HD PRO 3 1.835 -19.922 -3.941
24 H LEU 4 H LEU 4 3.154 -16.482 -3.787
25 HA LEU 4 HA LEU 4 2.653 -14.349 -5.653
26 HB2 LEU 4 1HB LEU 4 1.602 -13.197 -3.909
27 HB3 LEU 4 2HB LEU 4 1.230 -14.883 -3.615
28 HG LEU 4 HG LEU 4 3.362 -13.317 -2.152
29 HD11 LEU 4 1HD1 LEU 4 1.801 -13.350 -0.273
30 HD12 LEU 4 2HD1 LEU 4 0.583 -14.110 -1.297
31 HD13 LEU 4 3HD1 LEU 4 1.137 -12.474 -1.652
32 HD21 LEU 4 3HD2 LEU 4 2.196 -16.052 -1.642
33 HD22 LEU 4 1HD2 LEU 4 3.346 -15.211 -0.601
34 HD23 LEU 4 2HD2 LEU 4 3.824 -15.707 -2.224
35 H GLN 5 H GLN 5 3.523 -12.155 -5.336
36 HA GLN 5 HA GLN 5 6.396 -12.374 -4.817
37 HB2 GLN 5 1HB GLN 5 4.808 -10.253 -6.273
38 HB3 GLN 5 2HB GLN 5 6.554 -10.238 -6.070
39 HG2 GLN 5 1HG GLN 5 6.725 -12.313 -7.343
40 HG3 GLN 5 2HG GLN 5 4.973 -12.336 -7.537
41 HE21 GLN 5 2HE2 GLN 5 5.126 -12.272 -9.771
42 HE22 GLN 5 1HE2 GLN 5 5.578 -10.838 -10.630
43 H GLN 6 H GLN 6 7.173 -11.655 -2.954
44 HA GLN 6 HA GLN 6 5.695 -9.548 -1.547
45 HB2 GLN 6 1HB GLN 6 7.689 -11.580 -0.557
46 HB3 GLN 6 2HB GLN 6 7.164 -10.209 0.412
47 HG2 GLN 6 1HG GLN 6 4.822 -11.009 0.143
48 HG3 GLN 6 2HG GLN 6 5.462 -12.452 -0.641
49 HE21 GLN 6 2HE2 GLN 6 3.941 -12.087 1.858
50 HE22 GLN 6 1HE2 GLN 6 4.891 -12.850 3.094
51 H LYS 7 H LYS 7 6.387 -7.617 -2.037
52 HA LYS 7 HA LYS 7 9.296 -7.133 -2.127
53 HB2 LYS 7 1HB LYS 7 8.261 -6.965 -4.385
54 HB3 LYS 7 2HB LYS 7 7.168 -5.733 -3.768
55 HG2 LYS 7 1HG LYS 7 9.263 -4.414 -3.162
56 HG3 LYS 7 2HG LYS 7 10.136 -5.562 -4.180
57 HD2 LYS 7 1HD LYS 7 7.850 -3.787 -5.037
58 HD3 LYS 7 2HD LYS 7 9.553 -3.565 -5.442
59 HE2 LYS 7 1HE LYS 7 7.957 -6.010 -6.193
60 HE3 LYS 7 2HE LYS 7 8.142 -4.609 -7.243
61 HZ1 LYS 7 3HZ LYS 7 10.441 -6.149 -6.167
62 HZ2 LYS 7 1HZ LYS 7 10.462 -4.972 -7.387
63 HZ3 LYS 7 2HZ LYS 7 9.723 -6.474 -7.668
64 H GLN 8 H GLN 8 9.996 -5.436 -0.877
65 HA GLN 8 HA GLN 8 8.031 -4.206 0.840
66 HB2 GLN 8 1HB GLN 8 11.038 -3.980 0.744
67 HB3 GLN 8 2HB GLN 8 10.033 -3.106 1.893
68 HG2 GLN 8 1HG GLN 8 9.110 -5.354 2.589
69 HG3 GLN 8 2HG GLN 8 10.417 -6.069 1.648
70 HE21 GLN 8 2HE2 GLN 8 9.822 -6.138 4.513
71 HE22 GLN 8 1HE2 GLN 8 11.249 -5.549 5.307
72 H VAL 9 H VAL 9 7.280 -2.205 0.746
73 HA VAL 9 HA VAL 9 8.279 -0.469 -1.410
74 HB VAL 9 HB VAL 9 5.920 0.244 -1.810
75 HG11 VAL 9 1HG1 VAL 9 5.273 -1.742 -3.104
76 HG12 VAL 9 2HG1 VAL 9 6.496 -2.685 -2.253
77 HG13 VAL 9 3HG1 VAL 9 6.982 -1.355 -3.304
78 HG21 VAL 9 3HG2 VAL 9 4.105 -1.213 -1.023
79 HG22 VAL 9 1HG2 VAL 9 4.948 -0.427 0.313
80 HG23 VAL 9 2HG2 VAL 9 5.266 -2.122 -0.056
81 H VAL 10 H VAL 10 7.510 1.791 -1.182
82 HA VAL 10 HA VAL 10 7.543 2.607 1.641
83 HB VAL 10 HB VAL 10 8.050 4.288 -0.824
84 HG11 VAL 10 1HG1 VAL 10 7.224 5.601 1.042
85 HG12 VAL 10 2HG1 VAL 10 8.933 5.938 0.767
86 HG13 VAL 10 3HG1 VAL 10 8.444 4.897 2.103
87 HG21 VAL 10 3HG2 VAL 10 10.405 4.224 -0.177
88 HG22 VAL 10 1HG2 VAL 10 9.790 2.611 -0.541
89 HG23 VAL 10 2HG2 VAL 10 10.014 3.114 1.134
90 H VAL 11 H VAL 11 5.649 3.176 2.501
91 HA VAL 11 HA VAL 11 3.359 3.868 0.945
92 HB VAL 11 HB VAL 11 3.803 4.431 3.883
93 HG11 VAL 11 1HG1 VAL 11 1.881 5.576 2.922
94 HG12 VAL 11 2HG1 VAL 11 1.359 4.296 4.018
95 HG13 VAL 11 3HG1 VAL 11 1.279 4.049 2.274
96 HG21 VAL 11 3HG2 VAL 11 2.718 2.264 4.302
97 HG22 VAL 11 1HG2 VAL 11 4.253 2.086 3.452
98 HG23 VAL 11 2HG2 VAL 11 2.734 1.934 2.570
99 H SER 12 H SER 12 3.625 5.606 -0.313
100 HA SER 12 HA SER 12 5.307 7.788 0.386
101 HB2 SER 12 1HB SER 12 5.006 6.961 -1.928
102 HB3 SER 12 2HB SER 12 3.336 7.517 -1.895
103 HG SER 12 HG SER 12 4.726 9.015 -2.912
104 H ASN 13 H ASN 13 1.785 7.621 -0.203
105 HA ASN 13 HA ASN 13 1.102 9.396 1.872
106 HB2 ASN 13 1HB ASN 13 2.287 11.025 0.392
107 HB3 ASN 13 2HB ASN 13 1.141 10.653 -0.889
108 HD21 ASN 13 2HD2 ASN 13 0.407 12.756 -1.011
109 HD22 ASN 13 1HD2 ASN 13 -0.595 13.458 0.215
110 H LYS 14 H LYS 14 -1.195 9.996 1.795
111 HA LYS 14 HA LYS 14 -2.800 8.060 0.347
112 HB2 LYS 14 1HB LYS 14 -4.699 9.013 1.589
113 HB3 LYS 14 2HB LYS 14 -3.394 8.563 2.676
114 HG2 LYS 14 1HG LYS 14 -2.794 10.797 3.062
115 HG3 LYS 14 2HG LYS 14 -3.718 11.372 1.673
116 HD2 LYS 14 1HD LYS 14 -5.801 10.702 2.821
117 HD3 LYS 14 2HD LYS 14 -4.845 10.216 4.224
118 HE2 LYS 14 1HE LYS 14 -4.095 12.468 4.568
119 HE3 LYS 14 2HE LYS 14 -4.839 12.996 3.060
120 HZ1 LYS 14 3HZ LYS 14 -6.341 11.937 5.396
121 HZ2 LYS 14 1HZ LYS 14 -7.004 12.589 3.979
122 HZ3 LYS 14 2HZ LYS 14 -6.140 13.583 5.046
123 H ARG 15 H ARG 15 -4.018 8.499 -1.416
124 HA ARG 15 HA ARG 15 -4.115 11.279 -2.339
125 HB2 ARG 15 1HB ARG 15 -3.206 8.891 -3.955
126 HB3 ARG 15 2HB ARG 15 -3.638 10.441 -4.667
127 HG2 ARG 15 1HG ARG 15 -1.863 11.530 -3.399
128 HG3 ARG 15 2HG ARG 15 -1.441 9.989 -2.656
129 HD2 ARG 15 1HD ARG 15 -0.808 9.084 -4.813
130 HD3 ARG 15 2HD ARG 15 -1.324 10.570 -5.615
131 HE ARG 15 HE ARG 15 0.494 11.490 -3.864
132 HH11 ARG 15 1HH1 ARG 15 0.638 8.866 -6.196
133 HH12 ARG 15 2HH1 ARG 15 2.358 8.981 -6.409
134 HH21 ARG 15 1HH2 ARG 15 2.756 11.648 -4.165
135 HH22 ARG 15 2HH2 ARG 15 3.554 10.563 -5.268
136 H GLU 16 H GLU 16 -5.811 11.786 -3.703
137 HA GLU 16 HA GLU 16 -8.070 9.909 -3.572
138 HB2 GLU 16 1HB GLU 16 -8.319 12.062 -2.351
139 HB3 GLU 16 2HB GLU 16 -8.081 12.923 -3.863
140 HG2 GLU 16 1HG GLU 16 -10.111 11.824 -4.753
141 HG3 GLU 16 2HG GLU 16 -10.366 11.096 -3.166
142 H LYS 17 H LYS 17 -8.595 8.993 -5.454
143 HA LYS 17 HA LYS 17 -7.654 10.169 -7.939
144 HB2 LYS 17 1HB LYS 17 -8.961 7.534 -7.272
145 HB3 LYS 17 2HB LYS 17 -8.675 8.052 -8.928
146 HG2 LYS 17 1HG LYS 17 -6.258 8.248 -8.380
147 HG3 LYS 17 2HG LYS 17 -6.613 7.544 -6.801
148 HD2 LYS 17 1HD LYS 17 -7.366 5.505 -7.805
149 HD3 LYS 17 2HD LYS 17 -7.278 6.211 -9.421
150 HE2 LYS 17 1HE LYS 17 -4.846 6.457 -9.156
151 HE3 LYS 17 2HE LYS 17 -4.955 5.696 -7.570
152 HZ1 LYS 17 3HZ LYS 17 -5.677 3.667 -8.570
153 HZ2 LYS 17 1HZ LYS 17 -4.276 4.176 -9.375
154 HZ3 LYS 17 2HZ LYS 17 -5.787 4.387 -10.106
155 HA PRO 18 HA PRO 18 -11.361 12.157 -9.274
156 HB2 PRO 18 1HB PRO 18 -11.008 10.568 -11.778
157 HB3 PRO 18 2HB PRO 18 -11.262 12.307 -11.573
158 HG2 PRO 18 1HG PRO 18 -8.851 11.344 -12.155
159 HG3 PRO 18 2HG PRO 18 -9.043 12.697 -11.024
160 HD2 PRO 18 1HD PRO 18 -8.428 9.834 -10.470
161 HD3 PRO 18 2HD PRO 18 -7.877 11.292 -9.622
162 H VAL 19 H VAL 19 -13.287 11.591 -8.586
163 HA VAL 19 HA VAL 19 -14.096 8.924 -8.192
164 HB VAL 19 HB VAL 19 -15.849 11.386 -8.209
165 HG11 VAL 19 1HG1 VAL 19 -17.112 9.303 -8.239
166 HG12 VAL 19 2HG1 VAL 19 -17.265 10.105 -6.676
167 HG13 VAL 19 3HG1 VAL 19 -16.195 8.715 -6.852
168 HG21 VAL 19 3HG2 VAL 19 -13.964 11.730 -6.727
169 HG22 VAL 19 1HG2 VAL 19 -14.246 10.165 -5.964
170 HG23 VAL 19 2HG2 VAL 19 -15.428 11.460 -5.781
171 H ASN 20 H ASN 20 -14.542 7.575 -9.785
172 HA ASN 20 HA ASN 20 -15.781 8.506 -12.242
173 HB2 ASN 20 1HB ASN 20 -14.585 5.900 -11.355
174 HB3 ASN 20 2HB ASN 20 -15.641 5.949 -12.763
175 HD21 ASN 20 2HD2 ASN 20 -12.586 6.965 -11.430
176 HD22 ASN 20 1HD2 ASN 20 -11.871 7.438 -12.928
177 H ASP 21 H ASP 21 -16.796 7.527 -9.244
178 HA ASP 21 HA ASP 21 -19.267 6.284 -10.003
179 HB2 ASP 21 1HB ASP 21 -18.559 7.700 -7.412
180 HB3 ASP 21 2HB ASP 21 -19.936 6.635 -7.668
181 H ARG 22 H ARG 22 -20.475 7.458 -11.357
182 HA ARG 22 HA ARG 22 -20.205 10.259 -11.565
183 HB2 ARG 22 1HB ARG 22 -21.843 8.179 -12.923
184 HB3 ARG 22 2HB ARG 22 -22.285 9.870 -13.140
185 HG2 ARG 22 1HG ARG 22 -20.294 10.394 -14.197
186 HG3 ARG 22 2HG ARG 22 -19.455 8.996 -13.529
187 HD2 ARG 22 1HD ARG 22 -21.725 8.723 -15.475
188 HD3 ARG 22 2HD ARG 22 -20.057 8.935 -16.004
189 HE ARG 22 HE ARG 22 -21.068 6.646 -14.443
190 HH11 ARG 22 1HH1 ARG 22 -18.723 8.082 -16.622
191 HH12 ARG 22 2HH1 ARG 22 -17.879 6.583 -16.898
192 HH21 ARG 22 1HH2 ARG 22 -19.962 4.687 -14.793
193 HH22 ARG 22 2HH2 ARG 22 -18.590 4.648 -15.866
194 H ARG 23 H ARG 23 -21.296 11.889 -10.852
195 HA ARG 23 HA ARG 23 -23.025 11.617 -8.620
196 HB2 ARG 23 1HB ARG 23 -22.473 14.073 -10.296
197 HB3 ARG 23 2HB ARG 23 -23.131 14.049 -8.668
198 HG2 ARG 23 1HG ARG 23 -21.054 13.297 -7.763
199 HG3 ARG 23 2HG ARG 23 -20.385 13.046 -9.379
200 HD2 ARG 23 1HD ARG 23 -20.584 15.454 -9.819
201 HD3 ARG 23 2HD ARG 23 -21.224 15.692 -8.196
202 HE ARG 23 HE ARG 23 -18.914 14.591 -7.584
203 HH11 ARG 23 1HH1 ARG 23 -19.590 16.998 -10.043
204 HH12 ARG 23 2HH1 ARG 23 -18.028 17.747 -9.934
205 HH21 ARG 23 1HH2 ARG 23 -16.871 15.585 -7.413
206 HH22 ARG 23 2HH2 ARG 23 -16.485 16.955 -8.406
207 H SER 24 H SER 24 -25.176 12.576 -8.451
208 HA SER 24 HA SER 24 -26.827 12.049 -10.768
209 HB2 SER 24 1HB SER 24 -27.631 13.101 -8.041
210 HB3 SER 24 2HB SER 24 -28.700 12.410 -9.262
211 HG SER 24 HG SER 24 -26.901 10.582 -8.891
212 H ARG 25 H ARG 25 -27.220 13.562 -12.251
213 HA ARG 25 HA ARG 25 -26.372 16.237 -12.039
214 HB2 ARG 25 1HB ARG 25 -28.441 15.066 -13.911
215 HB3 ARG 25 2HB ARG 25 -27.645 16.620 -14.111
216 HG2 ARG 25 1HG ARG 25 -25.489 15.478 -14.345
217 HG3 ARG 25 2HG ARG 25 -26.306 13.923 -14.171
218 HD2 ARG 25 1HD ARG 25 -26.678 15.951 -16.371
219 HD3 ARG 25 2HD ARG 25 -25.960 14.345 -16.509
220 HE ARG 25 HE ARG 25 -28.472 13.870 -15.567
221 HH11 ARG 25 1HH1 ARG 25 -27.162 15.507 -18.376
222 HH12 ARG 25 2HH1 ARG 25 -28.589 15.253 -19.341
223 HH21 ARG 25 1HH2 ARG 25 -30.329 13.538 -16.814
224 HH22 ARG 25 2HH2 ARG 25 -30.402 14.147 -18.442
225 H GLN 26 H GLN 26 -29.582 14.778 -11.751
226 HA GLN 26 HA GLN 26 -30.625 17.314 -10.719
227 HB2 GLN 26 1HB GLN 26 -32.113 14.767 -11.399
228 HB3 GLN 26 2HB GLN 26 -32.835 16.318 -10.982
229 HG2 GLN 26 1HG GLN 26 -31.801 17.305 -12.988
230 HG3 GLN 26 2HG GLN 26 -31.172 15.718 -13.419
231 HE21 GLN 26 2HE2 GLN 26 -32.951 17.439 -14.897
232 HE22 GLN 26 1HE2 GLN 26 -34.397 16.528 -15.172
233 H GLN 27 H GLN 27 -31.575 17.431 -8.650
234 HA GLN 27 HA GLN 27 -30.084 15.807 -6.808
235 HB2 GLN 27 1HB GLN 27 -30.323 18.235 -6.492
236 HB3 GLN 27 2HB GLN 27 -32.049 18.022 -6.235
237 HG2 GLN 27 1HG GLN 27 -31.652 16.750 -4.238
238 HG3 GLN 27 2HG GLN 27 -29.913 16.771 -4.526
239 HE21 GLN 27 2HE2 GLN 27 -29.467 17.757 -2.585
240 HE22 GLN 27 1HE2 GLN 27 -29.832 19.419 -2.276
241 H GLU 28 H GLU 28 -30.968 13.767 -6.972
242 HA GLU 28 HA GLU 28 -33.625 13.364 -5.839
243 HB2 GLU 28 1HB GLU 28 -31.515 11.398 -6.763
244 HB3 GLU 28 2HB GLU 28 -33.095 10.946 -6.140
245 HG2 GLU 28 1HG GLU 28 -34.174 12.070 -8.000
246 HG3 GLU 28 2HG GLU 28 -32.603 12.583 -8.616
247 H VAL 29 H VAL 29 -33.545 11.450 -4.089
248 HA VAL 29 HA VAL 29 -31.978 12.458 -1.904
249 HB VAL 29 HB VAL 29 -33.644 9.936 -2.032
250 HG11 VAL 29 1HG1 VAL 29 -32.012 9.882 -0.222
251 HG12 VAL 29 2HG1 VAL 29 -33.646 10.071 0.416
252 HG13 VAL 29 3HG1 VAL 29 -32.565 11.461 0.338
253 HG21 VAL 29 3HG2 VAL 29 -35.374 11.248 -0.896
254 HG22 VAL 29 1HG2 VAL 29 -34.985 11.926 -2.478
255 HG23 VAL 29 2HG2 VAL 29 -34.360 12.687 -1.014
256 H SER 30 H SER 30 -32.146 9.329 -3.547
257 HA SER 30 HA SER 30 -30.649 7.674 -3.895
258 HB2 SER 30 1HB SER 30 -28.697 9.988 -3.954
259 HB3 SER 30 2HB SER 30 -28.375 8.365 -4.565
260 HG SER 30 HG SER 30 -29.097 9.967 -6.158
261 HA PRO 31 HA PRO 31 -29.482 7.525 0.555
262 HB2 PRO 31 1HB PRO 31 -30.686 5.193 1.130
263 HB3 PRO 31 2HB PRO 31 -31.593 6.707 1.016
264 HG2 PRO 31 1HG PRO 31 -31.300 4.519 -1.007
265 HG3 PRO 31 2HG PRO 31 -32.757 5.408 -0.526
266 HD2 PRO 31 1HD PRO 31 -31.312 5.985 -2.770
267 HD3 PRO 31 2HD PRO 31 -32.264 7.191 -1.882
268 H ALA 32 H ALA 32 -27.868 6.660 -1.775
269 HA ALA 32 HA ALA 32 -26.803 4.067 -1.028
270 HB1 ALA 32 3HB ALA 32 -26.962 4.676 -3.393
271 HB2 ALA 32 1HB ALA 32 -25.289 4.382 -2.920
272 HB3 ALA 32 2HB ALA 32 -25.870 6.035 -3.119
273 H GLY 33 H GLY 33 -26.046 7.454 -0.682
274 HA2 GLY 33 1HA GLY 33 -24.708 8.376 1.003
275 HA3 GLY 33 2HA GLY 33 -24.016 6.787 1.292
276 H THR 34 H THR 34 -21.884 7.272 1.159
277 HA THR 34 HA THR 34 -20.860 7.825 -1.500
278 HB THR 34 HB THR 34 -20.056 9.543 0.863
279 HG1 THR 34 HG1 THR 34 -22.024 9.805 -0.991
280 HG21 THR 34 3HG2 THR 34 -18.716 10.780 -0.775
281 HG22 THR 34 1HG2 THR 34 -19.182 9.630 -2.029
282 HG23 THR 34 2HG2 THR 34 -18.195 9.098 -0.667
283 H SER 35 H SER 35 -19.504 6.195 -1.816
284 HA SER 35 HA SER 35 -18.247 4.797 0.333
285 HB2 SER 35 1HB SER 35 -17.057 3.646 -1.662
286 HB3 SER 35 2HB SER 35 -18.802 3.438 -1.499
287 HG SER 35 HG SER 35 -17.563 5.414 -3.135
288 H MET 36 H MET 36 -16.894 6.166 1.430
289 HA MET 36 HA MET 36 -14.951 7.816 0.155
290 HB2 MET 36 1HB MET 36 -15.118 6.829 3.010
291 HB3 MET 36 2HB MET 36 -13.991 8.050 2.437
292 HG2 MET 36 1HG MET 36 -15.854 9.504 1.848
293 HG3 MET 36 2HG MET 36 -16.991 8.277 2.404
294 HE1 MET 36 3HE MET 36 -17.160 7.473 4.941
295 HE2 MET 36 1HE MET 36 -16.167 8.128 6.242
296 HE3 MET 36 2HE MET 36 -15.427 7.155 4.972
297 H ARG 37 H ARG 37 -13.231 7.082 -0.891
298 HA ARG 37 HA ARG 37 -11.889 4.674 0.146
299 HB2 ARG 37 1HB ARG 37 -11.935 5.520 -2.753
300 HB3 ARG 37 2HB ARG 37 -11.342 4.004 -2.087
301 HG2 ARG 37 1HG ARG 37 -13.630 3.402 -1.450
302 HG3 ARG 37 2HG ARG 37 -14.213 4.910 -2.157
303 HD2 ARG 37 1HD ARG 37 -12.966 2.553 -3.543
304 HD3 ARG 37 2HD ARG 37 -14.566 3.248 -3.795
305 HE ARG 37 HE ARG 37 -12.037 4.539 -4.600
306 HH11 ARG 37 1HH1 ARG 37 -15.464 3.960 -5.045
307 HH12 ARG 37 2HH1 ARG 37 -15.566 4.902 -6.498
308 HH21 ARG 37 1HH2 ARG 37 -12.155 5.753 -6.521
309 HH22 ARG 37 2HH2 ARG 37 -13.671 5.897 -7.358
310 H TYR 38 H TYR 38 -10.170 5.500 1.202
311 HA TYR 38 HA TYR 38 -8.605 7.636 -0.020
312 HB2 TYR 38 1HB TYR 38 -8.172 6.135 2.577
313 HB3 TYR 38 2HB TYR 38 -7.257 7.537 2.038
314 HD1 TYR 38 HD1 TYR 38 -8.690 9.687 1.561
315 HD2 TYR 38 HD2 TYR 38 -9.963 6.446 4.003
316 HE1 TYR 38 HE1 TYR 38 -10.279 11.177 2.699
317 HE2 TYR 38 HE2 TYR 38 -11.560 7.925 5.149
318 HH TYR 38 HH TYR 38 -11.849 10.318 5.594
319 H GLU 39 H GLU 39 -7.135 7.039 -1.525
320 HA GLU 39 HA GLU 39 -6.160 4.280 -1.346
321 HB2 GLU 39 1HB GLU 39 -6.345 6.140 -3.726
322 HB3 GLU 39 2HB GLU 39 -5.610 4.543 -3.766
323 HG2 GLU 39 1HG GLU 39 -7.776 3.579 -3.046
324 HG3 GLU 39 2HG GLU 39 -8.486 5.184 -3.175
325 H ALA 40 H ALA 40 -3.932 3.863 -1.613
326 HA ALA 40 HA ALA 40 -2.336 6.206 -0.809
327 HB1 ALA 40 3HB ALA 40 -1.053 4.735 0.655
328 HB2 ALA 40 1HB ALA 40 -2.067 3.372 0.180
329 HB3 ALA 40 2HB ALA 40 -2.766 4.720 1.076
330 H SER 41 H SER 41 -0.211 6.296 -1.419
331 HA SER 41 HA SER 41 0.326 4.913 -3.926
332 HB2 SER 41 1HB SER 41 0.451 7.428 -3.706
333 HB3 SER 41 2HB SER 41 1.854 7.199 -2.664
334 HG SER 41 HG SER 41 2.949 7.149 -4.446
335 H PHE 42 H PHE 42 1.415 3.080 -3.777
336 HA PHE 42 HA PHE 42 3.493 2.810 -1.713
337 HB2 PHE 42 1HB PHE 42 2.011 0.702 -3.302
338 HB3 PHE 42 2HB PHE 42 3.317 0.362 -2.172
339 HD1 PHE 42 HD1 PHE 42 -0.164 1.465 -2.499
340 HD2 PHE 42 HD2 PHE 42 2.966 0.444 0.194
341 HE1 PHE 42 HE1 PHE 42 -1.795 1.337 -0.662
342 HE2 PHE 42 HE2 PHE 42 1.344 0.313 2.037
343 HZ PHE 42 HZ PHE 42 -1.042 0.758 1.610
344 H LYS 43 H LYS 43 5.412 3.386 -2.484
345 HA LYS 43 HA LYS 43 6.044 2.886 -5.294
346 HB2 LYS 43 1HB LYS 43 6.547 5.116 -4.567
347 HB3 LYS 43 2HB LYS 43 7.432 4.520 -3.168
348 HG2 LYS 43 1HG LYS 43 9.088 3.504 -4.691
349 HG3 LYS 43 2HG LYS 43 8.229 4.218 -6.054
350 HD2 LYS 43 1HD LYS 43 8.700 6.436 -5.253
351 HD3 LYS 43 2HD LYS 43 9.413 5.790 -3.772
352 HE2 LYS 43 1HE LYS 43 11.114 6.477 -5.419
353 HE3 LYS 43 2HE LYS 43 11.197 4.760 -5.032
354 HZ1 LYS 43 3HZ LYS 43 11.420 5.120 -7.398
355 HZ2 LYS 43 1HZ LYS 43 9.934 5.936 -7.452
356 HZ3 LYS 43 2HZ LYS 43 9.985 4.287 -7.077
357 HA PRO 44 HA PRO 44 8.525 -0.698 -4.149
358 HB2 PRO 44 1HB PRO 44 9.412 -0.429 -6.954
359 HB3 PRO 44 2HB PRO 44 8.667 -1.808 -6.141
360 HG2 PRO 44 1HG PRO 44 7.313 -0.355 -7.936
361 HG3 PRO 44 2HG PRO 44 6.518 -1.032 -6.501
362 HD2 PRO 44 1HD PRO 44 7.456 1.770 -7.006
363 HD3 PRO 44 2HD PRO 44 5.957 1.203 -6.235
364 H LEU 45 H LEU 45 10.549 -0.741 -3.383
365 HA LEU 45 HA LEU 45 12.119 1.586 -3.291
366 HB2 LEU 45 1HB LEU 45 12.777 -1.277 -2.619
367 HB3 LEU 45 2HB LEU 45 13.830 0.076 -2.255
368 HG LEU 45 HG LEU 45 11.010 -0.051 -1.216
369 HD11 LEU 45 1HD1 LEU 45 13.510 -1.109 0.096
370 HD12 LEU 45 2HD1 LEU 45 12.150 -2.073 -0.484
371 HD13 LEU 45 3HD1 LEU 45 11.930 -0.953 0.861
372 HD21 LEU 45 3HD2 LEU 45 13.491 1.403 -0.301
373 HD22 LEU 45 1HD2 LEU 45 11.903 1.483 0.462
374 HD23 LEU 45 2HD2 LEU 45 12.132 2.119 -1.167
375 H ASN 46 H ASN 46 12.870 -1.529 -4.864
376 HA ASN 46 HA ASN 46 15.023 -0.177 -6.308
377 HB2 ASN 46 1HB ASN 46 15.667 -2.161 -5.035
378 HB3 ASN 46 2HB ASN 46 14.483 -3.127 -5.911
379 HD21 ASN 46 2HD2 ASN 46 16.072 -4.536 -6.646
380 HD22 ASN 46 1HD2 ASN 46 17.186 -4.083 -7.895
381 H GLY 47 H GLY 47 13.772 0.841 -7.896
382 HA2 GLY 47 1HA GLY 47 13.187 0.953 -10.122
383 HA3 GLY 47 2HA GLY 47 13.442 -0.780 -10.234
384 H GLY 48 H GLY 48 11.126 1.754 -9.761
385 HA2 GLY 48 1HA GLY 48 8.993 0.343 -10.775
386 HA3 GLY 48 2HA GLY 48 8.947 0.055 -9.043
387 H LEU 49 H LEU 49 7.204 1.548 -10.986
388 HA LEU 49 HA LEU 49 7.245 4.237 -9.884
389 HB2 LEU 49 1HB LEU 49 6.718 3.835 -12.276
390 HB3 LEU 49 2HB LEU 49 5.296 2.930 -11.793
391 HG LEU 49 HG LEU 49 4.363 4.981 -10.769
392 HD11 LEU 49 1HD1 LEU 49 5.395 7.143 -11.267
393 HD12 LEU 49 2HD1 LEU 49 6.773 6.318 -11.996
394 HD13 LEU 49 3HD1 LEU 49 6.447 6.137 -10.273
395 HD21 LEU 49 3HD2 LEU 49 3.834 6.113 -12.872
396 HD22 LEU 49 1HD2 LEU 49 3.758 4.360 -13.045
397 HD23 LEU 49 2HD2 LEU 49 5.148 5.247 -13.668
398 H GLU 50 H GLU 50 5.378 5.120 -8.798
399 HA GLU 50 HA GLU 50 4.575 3.595 -6.605
400 HB2 GLU 50 1HB GLU 50 3.246 6.068 -7.713
401 HB3 GLU 50 2HB GLU 50 3.086 5.452 -6.077
402 HG2 GLU 50 1HG GLU 50 5.476 5.860 -5.707
403 HG3 GLU 50 2HG GLU 50 5.601 6.520 -7.338
404 H LYS 51 H LYS 51 3.003 2.147 -6.311
405 HA LYS 51 HA LYS 51 0.823 2.008 -8.280
406 HB2 LYS 51 1HB LYS 51 1.694 0.007 -6.183
407 HB3 LYS 51 2HB LYS 51 0.311 -0.201 -7.246
408 HG2 LYS 51 1HG LYS 51 1.928 -0.011 -9.179
409 HG3 LYS 51 2HG LYS 51 3.221 -0.142 -7.984
410 HD2 LYS 51 1HD LYS 51 2.260 -2.285 -7.221
411 HD3 LYS 51 2HD LYS 51 1.030 -2.159 -8.479
412 HE2 LYS 51 1HE LYS 51 4.010 -2.395 -8.880
413 HE3 LYS 51 2HE LYS 51 2.803 -3.637 -9.202
414 HZ1 LYS 51 3HZ LYS 51 1.823 -1.975 -10.830
415 HZ2 LYS 51 1HZ LYS 51 3.296 -2.690 -11.268
416 HZ3 LYS 51 2HZ LYS 51 3.267 -1.106 -10.665
417 H THR 52 H THR 52 -1.337 2.131 -7.610
418 HA THR 52 HA THR 52 -1.648 3.390 -4.969
419 HB THR 52 HB THR 52 -3.593 3.673 -7.250
420 HG1 THR 52 HG1 THR 52 -1.053 4.638 -7.076
421 HG21 THR 52 3HG2 THR 52 -4.185 5.739 -6.100
422 HG22 THR 52 1HG2 THR 52 -2.925 5.448 -4.900
423 HG23 THR 52 2HG2 THR 52 -4.310 4.364 -5.003
424 H PHE 53 H PHE 53 -2.628 2.178 -3.485
425 HA PHE 53 HA PHE 53 -4.623 0.203 -4.389
426 HB2 PHE 53 1HB PHE 53 -2.746 0.086 -2.022
427 HB3 PHE 53 2HB PHE 53 -4.071 -1.045 -2.278
428 HD1 PHE 53 HD2 PHE 53 -4.059 -2.454 -4.377
429 HD2 PHE 53 HD1 PHE 53 -0.671 -0.238 -3.064
430 HE1 PHE 53 HE2 PHE 53 -2.601 -3.854 -5.780
431 HE2 PHE 53 HE1 PHE 53 0.789 -1.633 -4.467
432 HZ PHE 53 HZ PHE 53 -0.174 -3.445 -5.825
433 H ARG 54 H ARG 54 -6.479 -0.097 -3.094
434 HA ARG 54 HA ARG 54 -7.451 2.412 -2.051
435 HB2 ARG 54 1HB ARG 54 -8.805 1.013 -3.578
436 HB3 ARG 54 2HB ARG 54 -8.850 -0.251 -2.359
437 HG2 ARG 54 1HG ARG 54 -9.995 1.368 -0.839
438 HG3 ARG 54 2HG ARG 54 -10.095 2.482 -2.204
439 HD2 ARG 54 1HD ARG 54 -11.294 -0.278 -2.032
440 HD3 ARG 54 2HD ARG 54 -12.168 1.250 -1.985
441 HE ARG 54 HE ARG 54 -10.816 1.324 -4.359
442 HH11 ARG 54 1HH1 ARG 54 -13.117 -0.875 -2.876
443 HH12 ARG 54 2HH1 ARG 54 -13.709 -1.480 -4.401
444 HH21 ARG 54 1HH2 ARG 54 -11.621 0.567 -6.348
445 HH22 ARG 54 2HH2 ARG 54 -12.869 -0.643 -6.373
446 H LEU 55 H LEU 55 -7.737 2.940 0.032
447 HA LEU 55 HA LEU 55 -7.696 0.817 2.066
448 HB2 LEU 55 1HB LEU 55 -6.130 3.396 2.056
449 HB3 LEU 55 2HB LEU 55 -6.379 2.432 3.503
450 HG LEU 55 HG LEU 55 -4.934 1.506 1.014
451 HD11 LEU 55 1HD1 LEU 55 -2.928 1.621 2.401
452 HD12 LEU 55 2HD1 LEU 55 -3.880 2.286 3.728
453 HD13 LEU 55 3HD1 LEU 55 -3.685 3.205 2.236
454 HD21 LEU 55 3HD2 LEU 55 -5.316 0.173 3.693
455 HD22 LEU 55 1HD2 LEU 55 -4.291 -0.422 2.386
456 HD23 LEU 55 2HD2 LEU 55 -6.038 -0.332 2.165
457 H GLN 56 H GLN 56 -9.111 1.100 3.738
458 HA GLN 56 HA GLN 56 -10.456 3.707 3.921
459 HB2 GLN 56 1HB GLN 56 -11.560 0.936 4.250
460 HB3 GLN 56 2HB GLN 56 -12.354 2.317 4.997
461 HG2 GLN 56 1HG GLN 56 -12.447 3.395 2.761
462 HG3 GLN 56 2HG GLN 56 -11.822 1.899 2.070
463 HE21 GLN 56 2HE2 GLN 56 -14.371 3.349 1.732
464 HE22 GLN 56 1HE2 GLN 56 -15.609 2.180 2.062
465 H ALA 57 H ALA 57 -11.759 3.213 6.399
466 HA ALA 57 HA ALA 57 -10.052 4.553 8.018
467 HB1 ALA 57 3HB ALA 57 -12.452 4.314 8.418
468 HB2 ALA 57 1HB ALA 57 -11.502 4.022 9.876
469 HB3 ALA 57 2HB ALA 57 -12.187 2.664 8.981
470 H GLN 58 H GLN 58 -10.837 1.180 8.941
471 HA GLN 58 HA GLN 58 -8.560 1.105 10.651
472 HB2 GLN 58 1HB GLN 58 -10.373 -1.138 9.758
473 HB3 GLN 58 2HB GLN 58 -9.166 -1.263 11.031
474 HG2 GLN 58 1HG GLN 58 -10.398 0.632 12.180
475 HG3 GLN 58 2HG GLN 58 -11.691 0.354 11.013
476 HE21 GLN 58 2HE2 GLN 58 -11.725 0.045 13.901
477 HE22 GLN 58 1HE2 GLN 58 -12.154 -1.608 14.212
478 H GLN 59 H GLN 59 -9.041 0.320 7.353
479 HA GLN 59 HA GLN 59 -6.935 -1.582 7.087
480 HB2 GLN 59 1HB GLN 59 -8.190 0.189 4.984
481 HB3 GLN 59 2HB GLN 59 -7.209 -1.238 4.681
482 HG2 GLN 59 1HG GLN 59 -8.885 -2.652 5.686
483 HG3 GLN 59 2HG GLN 59 -9.847 -1.244 6.130
484 HE21 GLN 59 2HE2 GLN 59 -10.556 -3.528 4.478
485 HE22 GLN 59 1HE2 GLN 59 -11.014 -2.885 2.942
486 H TYR 60 H TYR 60 -7.218 1.895 6.475
487 HA TYR 60 HA TYR 60 -4.463 2.213 5.746
488 HB2 TYR 60 1HB TYR 60 -6.097 3.750 4.852
489 HB3 TYR 60 2HB TYR 60 -6.635 4.195 6.467
490 HD1 TYR 60 HD2 TYR 60 -3.728 4.383 4.156
491 HD2 TYR 60 HD1 TYR 60 -5.635 5.982 7.608
492 HE1 TYR 60 HE2 TYR 60 -2.119 6.242 4.179
493 HE2 TYR 60 HE1 TYR 60 -4.032 7.845 7.638
494 HH TYR 60 HH TYR 60 -1.999 8.561 5.044
495 H HIS 61 H HIS 61 -6.264 2.154 8.665
496 HA HIS 61 HA HIS 61 -4.469 3.655 10.288
497 HB2 HIS 61 1HB HIS 61 -6.870 3.280 10.820
498 HB3 HIS 61 2HB HIS 61 -6.514 1.582 11.111
499 HD1 HIS 61 HD1 HIS 61 -5.461 0.955 13.340
500 HD2 HIS 61 HD2 HIS 61 -5.901 5.061 12.806
501 HE1 HIS 61 HE1 HIS 61 -5.039 1.989 15.599
502 HE2 HIS 61 HE2 HIS 61 -5.124 4.477 15.208
503 H ALA 62 H ALA 62 -4.350 0.525 8.977
504 HA ALA 62 HA ALA 62 -2.883 -0.710 11.123
505 HB1 ALA 62 3HB ALA 62 -2.740 -2.640 9.652
506 HB2 ALA 62 1HB ALA 62 -3.367 -1.681 8.313
507 HB3 ALA 62 2HB ALA 62 -4.389 -2.018 9.710
508 H LEU 63 H LEU 63 -2.019 1.476 8.762
509 HA LEU 63 HA LEU 63 0.790 0.821 9.147
510 HB2 LEU 63 1HB LEU 63 1.375 0.991 6.820
511 HB3 LEU 63 2HB LEU 63 0.183 -0.272 7.024
512 HG LEU 63 HG LEU 63 -0.525 2.501 6.056
513 HD11 LEU 63 1HD1 LEU 63 0.064 0.035 4.424
514 HD12 LEU 63 2HD1 LEU 63 1.088 1.468 4.529
515 HD13 LEU 63 3HD1 LEU 63 -0.516 1.581 3.805
516 HD21 LEU 63 3HD2 LEU 63 -2.386 1.194 6.951
517 HD22 LEU 63 1HD2 LEU 63 -1.968 -0.144 5.882
518 HD23 LEU 63 2HD2 LEU 63 -2.526 1.386 5.204
519 H THR 64 H THR 64 2.215 2.626 8.367
520 HA THR 64 HA THR 64 0.819 5.207 8.646
521 HB THR 64 HB THR 64 3.572 4.574 9.734
522 HG1 THR 64 HG1 THR 64 1.822 3.475 10.849
523 HG21 THR 64 3HG2 THR 64 1.736 6.942 10.142
524 HG22 THR 64 1HG2 THR 64 3.231 6.935 9.204
525 HG23 THR 64 2HG2 THR 64 3.284 6.696 10.952
526 H VAL 65 H VAL 65 1.520 6.879 7.331
527 HA VAL 65 HA VAL 65 2.884 6.304 4.947
528 HB VAL 65 HB VAL 65 2.270 8.928 6.307
529 HG11 VAL 65 1HG1 VAL 65 3.473 8.513 3.569
530 HG12 VAL 65 2HG1 VAL 65 4.285 9.236 4.957
531 HG13 VAL 65 3HG1 VAL 65 2.904 10.048 4.223
532 HG21 VAL 65 3HG2 VAL 65 0.633 9.128 4.498
533 HG22 VAL 65 1HG2 VAL 65 0.371 7.666 5.450
534 HG23 VAL 65 2HG2 VAL 65 1.144 7.562 3.867
535 H GLY 66 H GLY 66 4.961 6.117 4.493
536 HA2 GLY 66 1HA GLY 66 7.254 6.741 4.668
537 HA3 GLY 66 2HA GLY 66 6.943 7.306 6.305
538 H ASP 67 H ASP 67 5.317 4.677 6.619
539 HA ASP 67 HA ASP 67 7.544 3.206 7.716
540 HB2 ASP 67 1HB ASP 67 5.370 3.299 8.914
541 HB3 ASP 67 2HB ASP 67 4.626 2.400 7.596
542 H GLN 68 H GLN 68 8.769 2.590 6.006
543 HA GLN 68 HA GLN 68 7.869 1.204 3.729
544 HB2 GLN 68 1HB GLN 68 10.541 0.932 5.126
545 HB3 GLN 68 2HB GLN 68 10.192 0.495 3.460
546 HG2 GLN 68 1HG GLN 68 9.787 2.822 2.910
547 HG3 GLN 68 2HG GLN 68 10.062 3.284 4.588
548 HE21 GLN 68 2HE2 GLN 68 11.461 4.142 2.183
549 HE22 GLN 68 1HE2 GLN 68 13.123 3.731 2.417
550 H GLY 69 H GLY 69 7.398 -0.939 3.389
551 HA2 GLY 69 1HA GLY 69 8.005 -2.926 5.389
552 HA3 GLY 69 2HA GLY 69 6.315 -2.444 5.366
553 H THR 70 H THR 70 6.481 -4.929 4.926
554 HA THR 70 HA THR 70 7.274 -5.614 2.222
555 HB THR 70 HB THR 70 6.042 -7.412 4.316
556 HG1 THR 70 HG1 THR 70 8.038 -7.692 5.137
557 HG21 THR 70 3HG2 THR 70 7.794 -8.008 1.927
558 HG22 THR 70 1HG2 THR 70 6.063 -8.326 2.040
559 HG23 THR 70 2HG2 THR 70 7.190 -9.193 3.084
560 H LEU 71 H LEU 71 5.942 -5.963 0.543
561 HA LEU 71 HA LEU 71 3.043 -5.921 1.062
562 HB2 LEU 71 1HB LEU 71 3.759 -3.922 -0.107
563 HB3 LEU 71 2HB LEU 71 4.609 -4.881 -1.302
564 HG LEU 71 HG LEU 71 2.449 -5.781 -2.094
565 HD11 LEU 71 1HD1 LEU 71 1.258 -3.825 -0.135
566 HD12 LEU 71 2HD1 LEU 71 1.182 -5.585 -0.026
567 HD13 LEU 71 3HD1 LEU 71 0.367 -4.747 -1.347
568 HD21 LEU 71 3HD2 LEU 71 3.422 -3.842 -3.189
569 HD22 LEU 71 1HD2 LEU 71 2.630 -2.772 -2.032
570 HD23 LEU 71 2HD2 LEU 71 1.664 -3.719 -3.162
571 H SER 72 H SER 72 1.982 -7.693 0.543
572 HA SER 72 HA SER 72 3.276 -9.674 -1.201
573 HB2 SER 72 1HB SER 72 0.986 -10.055 0.746
574 HB3 SER 72 2HB SER 72 1.861 -11.325 -0.110
575 HG SER 72 HG SER 72 3.365 -9.565 1.430
576 H TYR 73 H TYR 73 2.446 -9.978 -3.187
577 HA TYR 73 HA TYR 73 -0.355 -9.405 -3.695
578 HB2 TYR 73 1HB TYR 73 0.159 -7.824 -5.536
579 HB3 TYR 73 2HB TYR 73 0.635 -7.200 -3.961
580 HD1 TYR 73 HD1 TYR 73 3.000 -6.977 -3.374
581 HD2 TYR 73 HD2 TYR 73 1.814 -8.372 -7.217
582 HE1 TYR 73 HE1 TYR 73 5.279 -6.594 -4.212
583 HE2 TYR 73 HE2 TYR 73 4.091 -7.995 -8.062
584 HH TYR 73 HH TYR 73 6.722 -7.496 -6.053
585 H LYS 74 H LYS 74 -1.038 -10.039 -5.812
586 HA LYS 74 HA LYS 74 0.833 -11.808 -7.233
587 HB2 LYS 74 1HB LYS 74 -2.121 -12.201 -6.725
588 HB3 LYS 74 2HB LYS 74 -1.231 -13.102 -7.943
589 HG2 LYS 74 1HG LYS 74 0.243 -13.983 -6.186
590 HG3 LYS 74 2HG LYS 74 -0.710 -13.116 -4.979
591 HD2 LYS 74 1HD LYS 74 -2.667 -14.409 -5.529
592 HD3 LYS 74 2HD LYS 74 -1.820 -15.190 -6.866
593 HE2 LYS 74 1HE LYS 74 -0.267 -16.220 -5.292
594 HE3 LYS 74 2HE LYS 74 -1.079 -15.417 -3.950
595 HZ1 LYS 74 3HZ LYS 74 -2.372 -17.373 -5.777
596 HZ2 LYS 74 1HZ LYS 74 -3.062 -16.670 -4.395
597 HZ3 LYS 74 2HZ LYS 74 -1.758 -17.747 -4.240
598 H GLY 75 H GLY 75 1.411 -10.642 -8.953
599 HA2 GLY 75 1HA GLY 75 1.168 -9.578 -10.994
600 HA3 GLY 75 2HA GLY 75 -0.573 -9.785 -10.848
601 H THR 76 H THR 76 -1.702 -7.986 -10.617
602 HA THR 76 HA THR 76 -0.364 -5.645 -9.426
603 HB THR 76 HB THR 76 -2.187 -4.334 -10.639
604 HG1 THR 76 HG1 THR 76 -3.580 -5.442 -11.784
605 HG21 THR 76 3HG2 THR 76 0.141 -4.378 -11.401
606 HG22 THR 76 1HG2 THR 76 -0.975 -4.350 -12.768
607 HG23 THR 76 2HG2 THR 76 -0.181 -5.856 -12.307
608 H ARG 77 H ARG 77 -2.299 -8.024 -8.507
609 HA ARG 77 HA ARG 77 -4.371 -6.363 -7.284
610 HB2 ARG 77 1HB ARG 77 -5.091 -8.371 -8.522
611 HB3 ARG 77 2HB ARG 77 -4.168 -9.376 -7.411
612 HG2 ARG 77 1HG ARG 77 -5.575 -8.775 -5.583
613 HG3 ARG 77 2HG ARG 77 -6.395 -7.550 -6.550
614 HD2 ARG 77 1HD ARG 77 -7.233 -9.344 -8.033
615 HD3 ARG 77 2HD ARG 77 -6.488 -10.534 -6.963
616 HE ARG 77 HE ARG 77 -7.986 -9.732 -5.198
617 HH11 ARG 77 1HH1 ARG 77 -8.814 -9.022 -8.531
618 HH12 ARG 77 2HH1 ARG 77 -10.495 -8.748 -8.192
619 HH21 ARG 77 1HH2 ARG 77 -10.191 -9.371 -4.753
620 HH22 ARG 77 2HH2 ARG 77 -11.286 -8.961 -6.039
621 H PHE 78 H PHE 78 -4.508 -5.973 -5.204
622 HA PHE 78 HA PHE 78 -2.318 -6.455 -3.465
623 HB2 PHE 78 1HB PHE 78 -3.810 -4.439 -3.434
624 HB3 PHE 78 2HB PHE 78 -5.095 -5.452 -2.796
625 HD1 PHE 78 HD1 PHE 78 -5.041 -6.232 -0.498
626 HD2 PHE 78 HD2 PHE 78 -1.944 -3.771 -2.070
627 HE1 PHE 78 HE1 PHE 78 -4.272 -5.744 1.787
628 HE2 PHE 78 HE2 PHE 78 -1.169 -3.284 0.211
629 HZ PHE 78 HZ PHE 78 -2.331 -4.267 2.143
630 H VAL 79 H VAL 79 -1.960 -8.146 -2.161
631 HA VAL 79 HA VAL 79 -4.210 -9.946 -1.558
632 HB VAL 79 HB VAL 79 -1.241 -10.533 -1.478
633 HG11 VAL 79 1HG1 VAL 79 -3.602 -12.352 -1.001
634 HG12 VAL 79 2HG1 VAL 79 -2.442 -11.809 0.211
635 HG13 VAL 79 3HG1 VAL 79 -1.917 -12.864 -1.101
636 HG21 VAL 79 3HG2 VAL 79 -2.082 -10.314 -3.752
637 HG22 VAL 79 1HG2 VAL 79 -3.378 -11.455 -3.397
638 HG23 VAL 79 2HG2 VAL 79 -1.701 -11.998 -3.389
639 H GLY 80 H GLY 80 -1.270 -8.542 -0.107
640 HA2 GLY 80 1HA GLY 80 -2.655 -7.829 2.282
641 HA3 GLY 80 2HA GLY 80 -1.663 -9.260 2.527
642 H PHE 81 H PHE 81 -1.322 -6.708 3.800
643 HA PHE 81 HA PHE 81 1.358 -6.049 2.779
644 HB2 PHE 81 1HB PHE 81 -0.249 -4.214 2.310
645 HB3 PHE 81 2HB PHE 81 -0.600 -4.107 4.032
646 HD1 PHE 81 HD2 PHE 81 2.086 -3.710 1.516
647 HD2 PHE 81 HD1 PHE 81 0.756 -2.825 5.461
648 HE1 PHE 81 HE2 PHE 81 3.943 -2.121 1.782
649 HE2 PHE 81 HE1 PHE 81 2.613 -1.234 5.731
650 HZ PHE 81 HZ PHE 81 4.209 -0.883 3.891
651 H VAL 82 H VAL 82 2.955 -6.118 4.236
652 HA VAL 82 HA VAL 82 2.206 -6.589 7.047
653 HB VAL 82 HB VAL 82 4.784 -7.373 5.669
654 HG11 VAL 82 1HG1 VAL 82 5.032 -6.992 8.065
655 HG12 VAL 82 2HG1 VAL 82 5.189 -8.706 7.681
656 HG13 VAL 82 3HG1 VAL 82 3.694 -8.094 8.389
657 HG21 VAL 82 3HG2 VAL 82 2.419 -9.094 6.410
658 HG22 VAL 82 1HG2 VAL 82 3.954 -9.674 5.765
659 HG23 VAL 82 2HG2 VAL 82 2.909 -8.654 4.775
660 H SER 83 H SER 83 2.187 -4.527 7.813
661 HA SER 83 HA SER 83 4.280 -2.660 7.207
662 HB2 SER 83 1HB SER 83 3.044 -1.326 9.049
663 HB3 SER 83 2HB SER 83 2.185 -1.651 7.544
664 HG SER 83 HG SER 83 0.909 -2.102 9.404
665 H ARG 84 H ARG 84 5.730 -1.756 8.744
666 HA ARG 84 HA ARG 84 6.734 -3.740 10.596
667 HB2 ARG 84 1HB ARG 84 7.744 -1.091 9.609
668 HB3 ARG 84 2HB ARG 84 8.496 -1.889 10.986
669 HG2 ARG 84 1HG ARG 84 9.190 -3.717 9.693
670 HG3 ARG 84 2HG ARG 84 8.109 -3.293 8.363
671 HD2 ARG 84 1HD ARG 84 10.513 -2.779 7.948
672 HD3 ARG 84 2HD ARG 84 9.432 -1.396 7.794
673 HE ARG 84 HE ARG 84 11.148 -1.897 10.149
674 HH11 ARG 84 1HH1 ARG 84 9.532 0.250 7.905
675 HH12 ARG 84 2HH1 ARG 84 10.216 1.695 8.581
676 HH21 ARG 84 1HH2 ARG 84 12.048 -0.001 11.064
677 HH22 ARG 84 2HH2 ARG 84 11.667 1.552 10.376
678 H THR 85 H THR 85 4.897 -0.809 10.680
679 HA THR 85 HA THR 85 4.559 -1.267 13.563
680 HB THR 85 HB THR 85 4.711 1.468 12.277
681 HG1 THR 85 HG1 THR 85 6.659 -0.087 12.977
682 HG21 THR 85 3HG2 THR 85 4.576 2.307 14.582
683 HG22 THR 85 1HG2 THR 85 4.366 0.657 15.169
684 HG23 THR 85 2HG2 THR 85 3.130 1.393 14.148
685 HA PRO 86 HA PRO 86 0.354 -1.130 11.828
686 HB2 PRO 86 1HB PRO 86 -0.375 -3.567 12.891
687 HB3 PRO 86 2HB PRO 86 0.323 -3.345 11.287
688 HG2 PRO 86 1HG PRO 86 1.492 -4.637 13.572
689 HG3 PRO 86 2HG PRO 86 2.169 -4.459 11.948
690 HD2 PRO 86 1HD PRO 86 2.712 -2.898 14.388
691 HD3 PRO 86 2HD PRO 86 3.697 -3.082 12.921
692 H ASP 87 H ASP 87 -1.796 -1.605 13.089
693 HA ASP 87 HA ASP 87 -1.530 -0.313 15.672
694 HB2 ASP 87 1HB ASP 87 -3.998 -0.178 15.661
695 HB3 ASP 87 2HB ASP 87 -3.266 0.558 14.247
696 H ASN 88 H ASN 88 -1.821 -3.438 14.461
697 HA ASN 88 HA ASN 88 -2.084 -4.494 17.162
698 HB2 ASN 88 1HB ASN 88 -3.910 -5.142 14.860
699 HB3 ASN 88 2HB ASN 88 -3.573 -6.353 16.090
700 HD21 ASN 88 2HD2 ASN 88 -5.032 -3.261 15.428
701 HD22 ASN 88 1HD2 ASN 88 -5.998 -3.189 16.874
702 H GLU 89 H GLU 89 -0.763 -6.201 17.508
703 HA GLU 89 HA GLU 89 1.066 -7.101 15.559
704 HB2 GLU 89 1HB GLU 89 0.176 -8.634 18.009
705 HB3 GLU 89 2HB GLU 89 1.688 -8.821 17.138
706 HG2 GLU 89 1HG GLU 89 2.383 -7.600 18.930
707 HG3 GLU 89 2HG GLU 89 2.018 -6.307 17.789
708 H LEU 90 H LEU 90 -2.126 -8.063 16.459
709 HA LEU 90 HA LEU 90 -2.079 -10.352 14.637
710 HB2 LEU 90 1HB LEU 90 -4.206 -9.410 16.566
711 HB3 LEU 90 2HB LEU 90 -4.291 -10.868 15.597
712 HG LEU 90 HG LEU 90 -2.230 -10.350 17.741
713 HD11 LEU 90 1HD1 LEU 90 -3.472 -11.994 19.050
714 HD12 LEU 90 2HD1 LEU 90 -4.697 -12.081 17.784
715 HD13 LEU 90 3HD1 LEU 90 -4.464 -10.583 18.686
716 HD21 LEU 90 3HD2 LEU 90 -1.451 -11.841 15.968
717 HD22 LEU 90 1HD2 LEU 90 -2.888 -12.840 16.172
718 HD23 LEU 90 2HD2 LEU 90 -1.707 -12.718 17.475
719 H GLU 91 H GLU 91 -4.761 -10.351 13.893
720 HA GLU 91 HA GLU 91 -4.787 -8.119 11.996
721 HB2 GLU 91 1HB GLU 91 -6.396 -10.680 12.055
722 HB3 GLU 91 2HB GLU 91 -6.428 -9.482 10.767
723 HG2 GLU 91 1HG GLU 91 -4.450 -10.149 9.907
724 HG3 GLU 91 2HG GLU 91 -3.788 -10.590 11.481
725 H HIS 92 H HIS 92 -7.337 -7.759 11.351
726 HA HIS 92 HA HIS 92 -8.606 -6.894 13.855
727 HB2 HIS 92 1HB HIS 92 -8.965 -6.060 10.980
728 HB3 HIS 92 2HB HIS 92 -10.165 -5.662 12.204
729 HD1 HIS 92 HD1 HIS 92 -9.867 -3.299 12.847
730 HD2 HIS 92 HD2 HIS 92 -6.216 -5.203 12.250
731 HE1 HIS 92 HE1 HIS 92 -8.108 -1.588 13.403
732 HE2 HIS 92 HE2 HIS 92 -5.905 -2.791 13.151
733 H HIS 93 H HIS 93 -8.496 -9.511 12.092
734 HA HIS 93 HA HIS 93 -11.172 -10.366 12.883
735 HB2 HIS 93 1HB HIS 93 -11.062 -9.726 10.382
736 HB3 HIS 93 2HB HIS 93 -10.020 -11.132 10.195
737 HD1 HIS 93 HD1 HIS 93 -11.190 -13.245 9.662
738 HD2 HIS 93 HD2 HIS 93 -13.706 -10.493 11.504
739 HE1 HIS 93 HE1 HIS 93 -13.482 -14.281 9.612
740 HE2 HIS 93 HE2 HIS 93 -14.959 -12.667 10.864
741 H HIS 94 H HIS 94 -11.143 -12.450 13.711
742 HA HIS 94 HA HIS 94 -8.610 -13.380 14.578
743 HB2 HIS 94 1HB HIS 94 -11.362 -14.597 14.745
744 HB3 HIS 94 2HB HIS 94 -9.938 -15.405 15.392
745 HD1 HIS 94 HD1 HIS 94 -9.188 -14.731 17.683
746 HD2 HIS 94 HD2 HIS 94 -11.936 -12.064 16.054
747 HE1 HIS 94 HE1 HIS 94 -9.773 -13.135 19.540
748 HE2 HIS 94 HE2 HIS 94 -11.466 -11.551 18.543
749 H HIS 95 H HIS 95 -10.932 -14.839 12.297
750 HA HIS 95 HA HIS 95 -8.877 -16.683 11.375
751 HB2 HIS 95 1HB HIS 95 -11.747 -16.248 10.518
752 HB3 HIS 95 2HB HIS 95 -10.678 -17.419 9.759
753 HD1 HIS 95 HD1 HIS 95 -12.278 -19.341 10.487
754 HD2 HIS 95 HD2 HIS 95 -10.595 -17.207 13.638
755 HE1 HIS 95 HE1 HIS 95 -12.740 -20.695 12.549
756 HE2 HIS 95 HE2 HIS 95 -11.503 -19.507 14.394
757 H HIS 96 H HIS 96 -7.889 -16.597 9.348
758 HA HIS 96 HA HIS 96 -7.676 -14.033 8.106
759 HB2 HIS 96 1HB HIS 96 -6.909 -16.684 6.862
760 HB3 HIS 96 2HB HIS 96 -6.274 -15.097 6.460
761 HD1 HIS 96 HD1 HIS 96 -5.166 -13.956 8.927
762 HD2 HIS 96 HD2 HIS 96 -5.074 -18.063 8.217
763 HE1 HIS 96 HE1 HIS 96 -3.303 -14.865 10.352
764 HE2 HIS 96 HE2 HIS 96 -3.169 -17.318 9.790
765 H HIS 97 H HIS 97 -9.169 -17.093 7.202
766 HA HIS 97 HA HIS 97 -11.290 -15.597 5.841
767 HB2 HIS 97 1HB HIS 97 -9.894 -18.071 4.792
768 HB3 HIS 97 2HB HIS 97 -11.440 -17.498 4.180
769 HD1 HIS 97 HD1 HIS 97 -8.186 -17.545 3.086
770 HD2 HIS 97 HD2 HIS 97 -10.911 -14.436 3.591
771 HE1 HIS 97 HE1 HIS 97 -7.382 -15.679 1.596
772 HE2 HIS 97 HE2 HIS 97 -9.011 -13.785 1.965
Start of MODEL 19
1 H1 MET 1 1H MET 1 9.720 -19.007 -9.623
2 H2 MET 1 2H MET 1 8.465 -17.902 -9.338
3 H3 MET 1 3H MET 1 8.111 -19.466 -9.885
4 HA MET 1 HA MET 1 8.960 -20.409 -7.845
5 HB2 MET 1 1HB MET 1 9.348 -17.506 -7.106
6 HB3 MET 1 2HB MET 1 9.361 -18.816 -5.935
7 HG2 MET 1 1HG MET 1 11.266 -19.821 -7.096
8 HG3 MET 1 2HG MET 1 11.261 -18.481 -8.241
9 HE1 MET 1 3HE MET 1 13.835 -19.375 -6.599
10 HE2 MET 1 1HE MET 1 14.477 -17.813 -6.091
11 HE3 MET 1 2HE MET 1 13.839 -18.015 -7.722
12 H ALA 2 H ALA 2 7.238 -17.294 -7.467
13 HA ALA 2 HA ALA 2 4.782 -18.747 -6.872
14 HB1 ALA 2 3HB ALA 2 5.906 -18.608 -4.709
15 HB2 ALA 2 1HB ALA 2 4.458 -17.602 -4.734
16 HB3 ALA 2 2HB ALA 2 6.050 -16.859 -4.888
17 HA PRO 3 HA PRO 3 3.024 -15.212 -8.903
18 HB2 PRO 3 1HB PRO 3 0.512 -15.771 -7.503
19 HB3 PRO 3 2HB PRO 3 0.884 -15.899 -9.223
20 HG2 PRO 3 1HG PRO 3 0.467 -18.067 -7.674
21 HG3 PRO 3 2HG PRO 3 1.587 -18.080 -9.047
22 HD2 PRO 3 1HD PRO 3 2.178 -17.832 -6.121
23 HD3 PRO 3 2HD PRO 3 3.028 -18.772 -7.366
24 H LEU 4 H LEU 4 2.751 -15.647 -5.440
25 HA LEU 4 HA LEU 4 1.931 -12.893 -5.001
26 HB2 LEU 4 1HB LEU 4 1.137 -14.810 -3.562
27 HB3 LEU 4 2HB LEU 4 2.771 -14.932 -2.944
28 HG LEU 4 HG LEU 4 2.554 -12.551 -2.155
29 HD11 LEU 4 1HD1 LEU 4 -0.345 -13.034 -2.821
30 HD12 LEU 4 2HD1 LEU 4 0.724 -11.863 -3.593
31 HD13 LEU 4 3HD1 LEU 4 0.285 -11.672 -1.895
32 HD21 LEU 4 3HD2 LEU 4 0.643 -14.593 -1.026
33 HD22 LEU 4 1HD2 LEU 4 1.228 -13.156 -0.187
34 HD23 LEU 4 2HD2 LEU 4 2.356 -14.436 -0.633
35 H GLN 5 H GLN 5 3.491 -11.442 -5.382
36 HA GLN 5 HA GLN 5 6.235 -12.071 -4.618
37 HB2 GLN 5 1HB GLN 5 5.038 -9.782 -6.180
38 HB3 GLN 5 2HB GLN 5 6.741 -9.874 -5.747
39 HG2 GLN 5 1HG GLN 5 6.963 -11.946 -7.001
40 HG3 GLN 5 2HG GLN 5 5.251 -11.891 -7.412
41 HE21 GLN 5 2HE2 GLN 5 7.654 -11.886 -9.094
42 HE22 GLN 5 1HE2 GLN 5 7.532 -10.478 -10.089
43 H GLN 6 H GLN 6 6.808 -11.663 -2.620
44 HA GLN 6 HA GLN 6 5.561 -9.422 -1.197
45 HB2 GLN 6 1HB GLN 6 7.079 -11.824 -0.172
46 HB3 GLN 6 2HB GLN 6 6.537 -10.497 0.845
47 HG2 GLN 6 1HG GLN 6 4.218 -10.989 0.236
48 HG3 GLN 6 2HG GLN 6 4.776 -12.338 -0.755
49 HE21 GLN 6 2HE2 GLN 6 3.026 -12.255 1.615
50 HE22 GLN 6 1HE2 GLN 6 3.751 -13.342 2.751
51 H LYS 7 H LYS 7 6.677 -7.607 -1.240
52 HA LYS 7 HA LYS 7 9.577 -7.737 -0.778
53 HB2 LYS 7 1HB LYS 7 8.187 -5.913 -2.754
54 HB3 LYS 7 2HB LYS 7 9.882 -5.802 -2.305
55 HG2 LYS 7 1HG LYS 7 10.199 -8.102 -3.192
56 HG3 LYS 7 2HG LYS 7 8.533 -8.053 -3.772
57 HD2 LYS 7 1HD LYS 7 9.085 -6.062 -5.114
58 HD3 LYS 7 2HD LYS 7 10.759 -6.176 -4.565
59 HE2 LYS 7 1HE LYS 7 10.907 -8.421 -5.565
60 HE3 LYS 7 2HE LYS 7 9.256 -8.253 -6.155
61 HZ1 LYS 7 3HZ LYS 7 10.876 -7.756 -7.876
62 HZ2 LYS 7 1HZ LYS 7 11.550 -6.526 -6.924
63 HZ3 LYS 7 2HZ LYS 7 9.967 -6.379 -7.506
64 H GLN 8 H GLN 8 10.420 -5.567 -0.049
65 HA GLN 8 HA GLN 8 8.587 -4.386 1.879
66 HB2 GLN 8 1HB GLN 8 11.470 -3.669 1.285
67 HB3 GLN 8 2HB GLN 8 10.533 -3.152 2.677
68 HG2 GLN 8 1HG GLN 8 11.241 -6.016 2.084
69 HG3 GLN 8 2HG GLN 8 12.171 -4.960 3.144
70 HE21 GLN 8 2HE2 GLN 8 10.814 -7.452 3.742
71 HE22 GLN 8 1HE2 GLN 8 9.680 -7.106 5.001
72 H VAL 9 H VAL 9 7.449 -2.575 1.460
73 HA VAL 9 HA VAL 9 8.354 -0.887 -0.782
74 HB VAL 9 HB VAL 9 5.968 -0.353 -1.246
75 HG11 VAL 9 1HG1 VAL 9 5.445 -2.456 -2.399
76 HG12 VAL 9 2HG1 VAL 9 6.702 -3.273 -1.471
77 HG13 VAL 9 3HG1 VAL 9 7.135 -1.997 -2.611
78 HG21 VAL 9 3HG2 VAL 9 5.001 -0.923 0.906
79 HG22 VAL 9 1HG2 VAL 9 5.426 -2.618 0.671
80 HG23 VAL 9 2HG2 VAL 9 4.228 -1.856 -0.375
81 H VAL 10 H VAL 10 7.724 1.339 -0.676
82 HA VAL 10 HA VAL 10 7.543 2.309 2.094
83 HB VAL 10 HB VAL 10 8.257 3.893 -0.380
84 HG11 VAL 10 1HG1 VAL 10 9.163 5.511 1.217
85 HG12 VAL 10 2HG1 VAL 10 8.629 4.490 2.552
86 HG13 VAL 10 3HG1 VAL 10 7.441 5.233 1.481
87 HG21 VAL 10 3HG2 VAL 10 10.138 2.667 1.633
88 HG22 VAL 10 1HG2 VAL 10 10.589 3.695 0.275
89 HG23 VAL 10 2HG2 VAL 10 9.896 2.099 -0.019
90 H VAL 11 H VAL 11 5.547 2.942 2.744
91 HA VAL 11 HA VAL 11 3.450 3.661 0.965
92 HB VAL 11 HB VAL 11 3.732 4.408 3.884
93 HG11 VAL 11 1HG1 VAL 11 1.290 4.580 3.839
94 HG12 VAL 11 2HG1 VAL 11 1.297 4.230 2.111
95 HG13 VAL 11 3HG1 VAL 11 2.038 5.714 2.714
96 HG21 VAL 11 3HG2 VAL 11 3.919 2.000 3.588
97 HG22 VAL 11 1HG2 VAL 11 2.441 1.989 2.626
98 HG23 VAL 11 2HG2 VAL 11 2.377 2.416 4.336
99 H SER 12 H SER 12 3.654 5.359 -0.358
100 HA SER 12 HA SER 12 5.417 7.530 0.478
101 HB2 SER 12 1HB SER 12 5.942 6.361 -1.613
102 HB3 SER 12 2HB SER 12 4.364 6.803 -2.261
103 HG SER 12 HG SER 12 5.260 8.569 -2.902
104 H ASN 13 H ASN 13 2.297 7.216 -1.259
105 HA ASN 13 HA ASN 13 1.614 9.886 -0.220
106 HB2 ASN 13 1HB ASN 13 1.627 8.914 -3.024
107 HB3 ASN 13 2HB ASN 13 0.257 9.908 -2.546
108 HD21 ASN 13 2HD2 ASN 13 3.380 10.323 -1.099
109 HD22 ASN 13 1HD2 ASN 13 3.745 11.837 -1.849
110 H LYS 14 H LYS 14 -0.478 10.237 0.380
111 HA LYS 14 HA LYS 14 -2.353 8.011 -0.024
112 HB2 LYS 14 1HB LYS 14 -3.604 8.838 1.920
113 HB3 LYS 14 2HB LYS 14 -1.957 8.411 2.346
114 HG2 LYS 14 1HG LYS 14 -1.343 10.783 2.323
115 HG3 LYS 14 2HG LYS 14 -3.012 11.199 1.920
116 HD2 LYS 14 1HD LYS 14 -3.756 10.112 4.003
117 HD3 LYS 14 2HD LYS 14 -2.073 9.777 4.408
118 HE2 LYS 14 1HE LYS 14 -1.640 12.229 4.344
119 HE3 LYS 14 2HE LYS 14 -3.370 12.482 4.118
120 HZ1 LYS 14 3HZ LYS 14 -3.745 11.314 6.237
121 HZ2 LYS 14 1HZ LYS 14 -2.804 12.714 6.436
122 HZ3 LYS 14 2HZ LYS 14 -2.068 11.187 6.454
123 H ARG 15 H ARG 15 -4.067 8.379 -1.258
124 HA ARG 15 HA ARG 15 -4.676 11.138 -2.050
125 HB2 ARG 15 1HB ARG 15 -3.838 8.883 -3.881
126 HB3 ARG 15 2HB ARG 15 -4.667 10.320 -4.458
127 HG2 ARG 15 1HG ARG 15 -2.845 11.656 -4.183
128 HG3 ARG 15 2HG ARG 15 -2.205 10.701 -2.845
129 HD2 ARG 15 1HD ARG 15 -1.240 9.139 -4.251
130 HD3 ARG 15 2HD ARG 15 -2.309 9.539 -5.598
131 HE ARG 15 HE ARG 15 -0.789 11.796 -5.102
132 HH11 ARG 15 1HH1 ARG 15 -0.148 8.464 -5.951
133 HH12 ARG 15 2HH1 ARG 15 1.215 8.837 -6.959
134 HH21 ARG 15 1HH2 ARG 15 1.032 12.302 -6.405
135 HH22 ARG 15 2HH2 ARG 15 1.910 11.014 -7.188
136 H GLU 16 H GLU 16 -6.709 11.291 -3.264
137 HA GLU 16 HA GLU 16 -8.344 8.897 -3.409
138 HB2 GLU 16 1HB GLU 16 -9.033 11.288 -1.745
139 HB3 GLU 16 2HB GLU 16 -10.319 10.414 -2.563
140 HG2 GLU 16 1HG GLU 16 -9.174 8.336 -1.429
141 HG3 GLU 16 2HG GLU 16 -8.569 9.565 -0.317
142 H LYS 17 H LYS 17 -8.747 8.821 -5.502
143 HA LYS 17 HA LYS 17 -9.322 11.306 -6.954
144 HB2 LYS 17 1HB LYS 17 -8.878 8.479 -7.925
145 HB3 LYS 17 2HB LYS 17 -9.255 9.835 -8.977
146 HG2 LYS 17 1HG LYS 17 -6.804 9.532 -7.254
147 HG3 LYS 17 2HG LYS 17 -6.886 9.385 -9.011
148 HD2 LYS 17 1HD LYS 17 -7.699 11.756 -9.078
149 HD3 LYS 17 2HD LYS 17 -7.354 11.856 -7.350
150 HE2 LYS 17 1HE LYS 17 -5.472 12.764 -8.469
151 HE3 LYS 17 2HE LYS 17 -4.996 11.167 -7.894
152 HZ1 LYS 17 3HZ LYS 17 -4.254 11.554 -10.161
153 HZ2 LYS 17 1HZ LYS 17 -5.851 11.827 -10.664
154 HZ3 LYS 17 2HZ LYS 17 -5.388 10.291 -10.120
155 HA PRO 18 HA PRO 18 -13.686 10.206 -6.606
156 HB2 PRO 18 1HB PRO 18 -14.183 12.868 -7.655
157 HB3 PRO 18 2HB PRO 18 -14.547 12.228 -6.051
158 HG2 PRO 18 1HG PRO 18 -12.652 14.131 -6.504
159 HG3 PRO 18 2HG PRO 18 -12.570 12.975 -5.162
160 HD2 PRO 18 1HD PRO 18 -11.158 12.917 -7.807
161 HD3 PRO 18 2HD PRO 18 -10.535 12.525 -6.188
162 H VAL 19 H VAL 19 -14.060 8.815 -8.256
163 HA VAL 19 HA VAL 19 -13.568 9.449 -11.000
164 HB VAL 19 HB VAL 19 -15.211 7.171 -9.869
165 HG11 VAL 19 1HG1 VAL 19 -15.572 7.514 -12.247
166 HG12 VAL 19 2HG1 VAL 19 -14.657 6.031 -11.967
167 HG13 VAL 19 3HG1 VAL 19 -13.832 7.484 -12.532
168 HG21 VAL 19 3HG2 VAL 19 -12.262 7.286 -10.492
169 HG22 VAL 19 1HG2 VAL 19 -13.157 5.834 -10.042
170 HG23 VAL 19 2HG2 VAL 19 -12.989 7.159 -8.891
171 H ASN 20 H ASN 20 -14.995 10.050 -12.581
172 HA ASN 20 HA ASN 20 -17.323 11.471 -11.796
173 HB2 ASN 20 1HB ASN 20 -16.182 10.707 -14.475
174 HB3 ASN 20 2HB ASN 20 -17.735 11.527 -14.343
175 HD21 ASN 20 2HD2 ASN 20 -14.293 11.805 -13.902
176 HD22 ASN 20 1HD2 ASN 20 -14.259 13.532 -13.735
177 H ASP 21 H ASP 21 -16.783 8.214 -12.921
178 HA ASP 21 HA ASP 21 -19.555 7.645 -13.373
179 HB2 ASP 21 1HB ASP 21 -17.801 6.281 -14.435
180 HB3 ASP 21 2HB ASP 21 -17.264 5.736 -12.848
181 H ARG 22 H ARG 22 -20.989 7.658 -11.820
182 HA ARG 22 HA ARG 22 -20.139 6.968 -9.087
183 HB2 ARG 22 1HB ARG 22 -22.174 8.946 -10.102
184 HB3 ARG 22 2HB ARG 22 -22.113 8.432 -8.424
185 HG2 ARG 22 1HG ARG 22 -19.940 9.377 -8.142
186 HG3 ARG 22 2HG ARG 22 -19.806 9.712 -9.870
187 HD2 ARG 22 1HD ARG 22 -20.428 11.655 -8.312
188 HD3 ARG 22 2HD ARG 22 -21.375 11.434 -9.781
189 HE ARG 22 HE ARG 22 -23.209 10.847 -8.507
190 HH11 ARG 22 1HH1 ARG 22 -20.380 11.094 -6.456
191 HH12 ARG 22 2HH1 ARG 22 -21.286 11.056 -4.979
192 HH21 ARG 22 1HH2 ARG 22 -24.414 10.841 -6.575
193 HH22 ARG 22 2HH2 ARG 22 -23.590 10.896 -5.043
194 H ARG 23 H ARG 23 -21.953 6.214 -7.685
195 HA ARG 23 HA ARG 23 -23.517 4.134 -8.825
196 HB2 ARG 23 1HB ARG 23 -23.598 5.528 -6.148
197 HB3 ARG 23 2HB ARG 23 -24.678 4.206 -6.562
198 HG2 ARG 23 1HG ARG 23 -22.900 2.666 -6.697
199 HG3 ARG 23 2HG ARG 23 -21.690 3.950 -6.673
200 HD2 ARG 23 1HD ARG 23 -21.929 2.727 -4.515
201 HD3 ARG 23 2HD ARG 23 -22.179 4.467 -4.395
202 HE ARG 23 HE ARG 23 -24.654 3.848 -4.503
203 HH11 ARG 23 1HH1 ARG 23 -22.207 1.752 -3.123
204 HH12 ARG 23 2HH1 ARG 23 -23.288 1.022 -1.976
205 HH21 ARG 23 1HH2 ARG 23 -26.078 2.915 -2.968
206 HH22 ARG 23 2HH2 ARG 23 -25.489 1.670 -1.906
207 H SER 24 H SER 24 -24.703 6.940 -7.036
208 HA SER 24 HA SER 24 -26.998 7.191 -8.767
209 HB2 SER 24 1HB SER 24 -26.066 8.989 -6.509
210 HB3 SER 24 2HB SER 24 -27.654 9.014 -7.275
211 HG SER 24 HG SER 24 -28.241 7.479 -5.985
212 H ARG 25 H ARG 25 -26.974 8.334 -10.591
213 HA ARG 25 HA ARG 25 -24.703 9.648 -11.577
214 HB2 ARG 25 1HB ARG 25 -27.554 10.116 -12.462
215 HB3 ARG 25 2HB ARG 25 -26.098 10.376 -13.410
216 HG2 ARG 25 1HG ARG 25 -25.662 7.972 -13.405
217 HG3 ARG 25 2HG ARG 25 -27.125 7.712 -12.450
218 HD2 ARG 25 1HD ARG 25 -28.408 8.819 -14.299
219 HD3 ARG 25 2HD ARG 25 -26.928 8.791 -15.255
220 HE ARG 25 HE ARG 25 -28.234 6.350 -14.232
221 HH11 ARG 25 1HH1 ARG 25 -26.568 8.131 -16.742
222 HH12 ARG 25 2HH1 ARG 25 -26.640 6.830 -17.897
223 HH21 ARG 25 1HH2 ARG 25 -28.324 4.626 -15.738
224 HH22 ARG 25 2HH2 ARG 25 -27.623 4.827 -17.319
225 H GLN 26 H GLN 26 -27.556 10.813 -9.922
226 HA GLN 26 HA GLN 26 -26.951 13.590 -10.188
227 HB2 GLN 26 1HB GLN 26 -29.227 12.822 -9.853
228 HB3 GLN 26 2HB GLN 26 -28.786 12.074 -8.327
229 HG2 GLN 26 1HG GLN 26 -28.429 14.214 -7.310
230 HG3 GLN 26 2HG GLN 26 -28.657 15.033 -8.858
231 HE21 GLN 26 2HE2 GLN 26 -30.123 15.255 -6.286
232 HE22 GLN 26 1HE2 GLN 26 -31.782 14.948 -6.682
233 H GLN 27 H GLN 27 -25.655 14.822 -8.977
234 HA GLN 27 HA GLN 27 -24.635 13.703 -6.453
235 HB2 GLN 27 1HB GLN 27 -22.880 13.665 -8.159
236 HB3 GLN 27 2HB GLN 27 -23.124 15.381 -8.467
237 HG2 GLN 27 1HG GLN 27 -22.499 15.811 -6.086
238 HG3 GLN 27 2HG GLN 27 -22.068 14.108 -5.955
239 HE21 GLN 27 2HE2 GLN 27 -20.429 16.500 -5.670
240 HE22 GLN 27 1HE2 GLN 27 -19.140 16.339 -6.823
241 H GLU 28 H GLU 28 -25.259 14.856 -4.784
242 HA GLU 28 HA GLU 28 -25.356 17.784 -5.037
243 HB2 GLU 28 1HB GLU 28 -27.157 16.027 -3.354
244 HB3 GLU 28 2HB GLU 28 -27.152 17.786 -3.331
245 HG2 GLU 28 1HG GLU 28 -27.792 17.790 -5.709
246 HG3 GLU 28 2HG GLU 28 -27.868 16.029 -5.669
247 H VAL 29 H VAL 29 -25.620 18.406 -2.339
248 HA VAL 29 HA VAL 29 -22.908 17.800 -1.493
249 HB VAL 29 HB VAL 29 -24.873 19.579 -0.054
250 HG11 VAL 29 1HG1 VAL 29 -22.867 18.959 1.199
251 HG12 VAL 29 2HG1 VAL 29 -22.856 20.676 0.788
252 HG13 VAL 29 3HG1 VAL 29 -21.856 19.544 -0.122
253 HG21 VAL 29 3HG2 VAL 29 -23.913 21.464 -1.300
254 HG22 VAL 29 1HG2 VAL 29 -24.749 20.332 -2.362
255 HG23 VAL 29 2HG2 VAL 29 -22.987 20.331 -2.285
256 H SER 30 H SER 30 -23.917 15.500 -1.292
257 HA SER 30 HA SER 30 -24.608 15.147 1.544
258 HB2 SER 30 1HB SER 30 -26.607 14.750 0.143
259 HB3 SER 30 2HB SER 30 -25.719 13.528 -0.766
260 HG SER 30 HG SER 30 -26.884 12.462 0.792
261 HA PRO 31 HA PRO 31 -20.806 12.736 1.197
262 HB2 PRO 31 1HB PRO 31 -20.737 12.163 3.882
263 HB3 PRO 31 2HB PRO 31 -20.082 13.639 3.168
264 HG2 PRO 31 1HG PRO 31 -22.697 13.196 4.544
265 HG3 PRO 31 2HG PRO 31 -21.593 14.580 4.648
266 HD2 PRO 31 1HD PRO 31 -23.840 14.646 3.164
267 HD3 PRO 31 2HD PRO 31 -22.362 15.504 2.680
268 H ALA 32 H ALA 32 -23.926 11.886 2.432
269 HA ALA 32 HA ALA 32 -23.395 9.090 2.774
270 HB1 ALA 32 3HB ALA 32 -26.017 10.558 2.482
271 HB2 ALA 32 1HB ALA 32 -25.202 10.177 4.000
272 HB3 ALA 32 2HB ALA 32 -25.830 8.878 2.986
273 H GLY 33 H GLY 33 -24.056 11.161 0.137
274 HA2 GLY 33 1HA GLY 33 -24.984 8.980 -1.581
275 HA3 GLY 33 2HA GLY 33 -24.950 10.688 -1.999
276 H THR 34 H THR 34 -22.260 8.992 -0.557
277 HA THR 34 HA THR 34 -20.944 8.394 -3.012
278 HB THR 34 HB THR 34 -20.622 10.882 -2.883
279 HG1 THR 34 HG1 THR 34 -18.041 10.205 -2.621
280 HG21 THR 34 3HG2 THR 34 -20.474 11.148 -0.469
281 HG22 THR 34 1HG2 THR 34 -19.011 11.760 -1.239
282 HG23 THR 34 2HG2 THR 34 -18.994 10.190 -0.433
283 H SER 35 H SER 35 -18.740 7.506 -2.580
284 HA SER 35 HA SER 35 -18.536 6.469 0.165
285 HB2 SER 35 1HB SER 35 -17.654 4.347 -0.906
286 HB3 SER 35 2HB SER 35 -19.368 4.667 -1.170
287 HG SER 35 HG SER 35 -17.313 5.371 -3.000
288 H MET 36 H MET 36 -16.734 7.169 1.080
289 HA MET 36 HA MET 36 -14.476 7.998 -0.555
290 HB2 MET 36 1HB MET 36 -14.941 8.151 2.429
291 HB3 MET 36 2HB MET 36 -13.510 8.762 1.611
292 HG2 MET 36 1HG MET 36 -14.893 10.331 0.355
293 HG3 MET 36 2HG MET 36 -16.329 9.717 1.172
294 HE1 MET 36 3HE MET 36 -12.765 10.275 2.746
295 HE2 MET 36 1HE MET 36 -12.904 11.930 3.339
296 HE3 MET 36 2HE MET 36 -12.916 11.611 1.605
297 H ARG 37 H ARG 37 -12.381 7.161 -0.312
298 HA ARG 37 HA ARG 37 -11.867 4.854 1.277
299 HB2 ARG 37 1HB ARG 37 -11.251 3.591 -1.045
300 HB3 ARG 37 2HB ARG 37 -12.703 3.302 -0.110
301 HG2 ARG 37 1HG ARG 37 -13.473 3.501 -2.285
302 HG3 ARG 37 2HG ARG 37 -13.789 5.088 -1.592
303 HD2 ARG 37 1HD ARG 37 -11.252 4.563 -3.091
304 HD3 ARG 37 2HD ARG 37 -12.748 4.899 -3.960
305 HE ARG 37 HE ARG 37 -11.934 6.793 -1.892
306 HH11 ARG 37 1HH1 ARG 37 -12.099 6.021 -5.300
307 HH12 ARG 37 2HH1 ARG 37 -11.905 7.667 -5.810
308 HH21 ARG 37 1HH2 ARG 37 -11.716 8.942 -2.531
309 HH22 ARG 37 2HH2 ARG 37 -11.696 9.337 -4.228
310 H TYR 38 H TYR 38 -9.978 5.435 1.968
311 HA TYR 38 HA TYR 38 -8.280 7.255 0.678
312 HB2 TYR 38 1HB TYR 38 -7.694 5.324 2.936
313 HB3 TYR 38 2HB TYR 38 -6.620 6.620 2.432
314 HD1 TYR 38 HD2 TYR 38 -10.143 7.435 2.301
315 HD2 TYR 38 HD1 TYR 38 -6.737 7.311 4.850
316 HE1 TYR 38 HE2 TYR 38 -11.267 8.957 3.867
317 HE2 TYR 38 HE1 TYR 38 -7.855 8.834 6.422
318 HH TYR 38 HH TYR 38 -9.650 10.533 6.396
319 H GLU 39 H GLU 39 -6.828 6.982 -0.870
320 HA GLU 39 HA GLU 39 -6.084 4.247 -1.628
321 HB2 GLU 39 1HB GLU 39 -5.811 6.797 -3.244
322 HB3 GLU 39 2HB GLU 39 -5.537 5.160 -3.822
323 HG2 GLU 39 1HG GLU 39 -7.906 4.652 -3.479
324 HG3 GLU 39 2HG GLU 39 -8.171 6.301 -2.917
325 H ALA 40 H ALA 40 -3.973 3.630 -1.657
326 HA ALA 40 HA ALA 40 -2.057 5.617 -0.624
327 HB1 ALA 40 3HB ALA 40 -2.659 3.968 1.078
328 HB2 ALA 40 1HB ALA 40 -0.965 3.824 0.611
329 HB3 ALA 40 2HB ALA 40 -2.149 2.668 0.001
330 H SER 41 H SER 41 -0.311 5.947 -1.763
331 HA SER 41 HA SER 41 0.267 4.224 -4.045
332 HB2 SER 41 1HB SER 41 1.505 6.879 -3.267
333 HB3 SER 41 2HB SER 41 1.711 6.037 -4.802
334 HG SER 41 HG SER 41 -0.576 6.286 -5.119
335 H PHE 42 H PHE 42 1.772 2.710 -3.908
336 HA PHE 42 HA PHE 42 3.667 2.807 -1.666
337 HB2 PHE 42 1HB PHE 42 2.822 0.479 -3.406
338 HB3 PHE 42 2HB PHE 42 3.964 0.384 -2.071
339 HD1 PHE 42 HD1 PHE 42 3.167 0.801 0.252
340 HD2 PHE 42 HD2 PHE 42 0.497 0.426 -3.039
341 HE1 PHE 42 HE1 PHE 42 1.311 0.378 1.812
342 HE2 PHE 42 HE2 PHE 42 -1.365 0.005 -1.487
343 HZ PHE 42 HZ PHE 42 -0.958 -0.018 0.941
344 H LYS 43 H LYS 43 5.744 3.074 -1.990
345 HA LYS 43 HA LYS 43 6.679 3.432 -4.733
346 HB2 LYS 43 1HB LYS 43 6.911 5.176 -2.863
347 HB3 LYS 43 2HB LYS 43 8.158 4.130 -2.205
348 HG2 LYS 43 1HG LYS 43 9.516 4.413 -4.144
349 HG3 LYS 43 2HG LYS 43 8.223 5.269 -4.986
350 HD2 LYS 43 1HD LYS 43 8.320 6.977 -3.124
351 HD3 LYS 43 2HD LYS 43 9.805 6.183 -2.596
352 HE2 LYS 43 1HE LYS 43 10.863 6.656 -4.704
353 HE3 LYS 43 2HE LYS 43 9.361 7.316 -5.353
354 HZ1 LYS 43 3HZ LYS 43 11.126 8.458 -3.271
355 HZ2 LYS 43 1HZ LYS 43 9.511 8.961 -3.441
356 HZ3 LYS 43 2HZ LYS 43 10.600 9.168 -4.720
357 HA PRO 44 HA PRO 44 8.763 -0.503 -4.298
358 HB2 PRO 44 1HB PRO 44 9.853 -0.089 -6.945
359 HB3 PRO 44 2HB PRO 44 8.597 -1.217 -6.434
360 HG2 PRO 44 1HG PRO 44 8.137 0.948 -8.040
361 HG3 PRO 44 2HG PRO 44 6.909 0.219 -6.990
362 HD2 PRO 44 1HD PRO 44 8.564 2.674 -6.558
363 HD3 PRO 44 2HD PRO 44 6.856 2.377 -6.168
364 H LEU 45 H LEU 45 10.681 -0.954 -3.429
365 HA LEU 45 HA LEU 45 12.770 0.955 -3.251
366 HB2 LEU 45 1HB LEU 45 12.747 -1.998 -2.635
367 HB3 LEU 45 2HB LEU 45 14.057 -0.911 -2.225
368 HG LEU 45 HG LEU 45 11.241 -0.690 -1.161
369 HD11 LEU 45 1HD1 LEU 45 12.200 -1.493 0.935
370 HD12 LEU 45 2HD1 LEU 45 13.760 -1.713 0.141
371 HD13 LEU 45 3HD1 LEU 45 12.374 -2.690 -0.351
372 HD21 LEU 45 3HD2 LEU 45 12.433 1.457 -1.292
373 HD22 LEU 45 1HD2 LEU 45 13.773 0.759 -0.384
374 HD23 LEU 45 2HD2 LEU 45 12.192 0.943 0.377
375 H ASN 46 H ASN 46 12.013 -1.492 -5.543
376 HA ASN 46 HA ASN 46 14.736 -1.759 -6.492
377 HB2 ASN 46 1HB ASN 46 12.206 -2.936 -7.659
378 HB3 ASN 46 2HB ASN 46 13.852 -3.401 -8.061
379 HD21 ASN 46 2HD2 ASN 46 14.720 -3.285 -5.236
380 HD22 ASN 46 1HD2 ASN 46 14.055 -4.708 -4.503
381 H GLY 47 H GLY 47 13.055 0.726 -6.672
382 HA2 GLY 47 1HA GLY 47 13.005 2.522 -8.126
383 HA3 GLY 47 2HA GLY 47 13.885 1.545 -9.289
384 H GLY 48 H GLY 48 11.194 3.254 -9.028
385 HA2 GLY 48 1HA GLY 48 9.963 2.293 -11.301
386 HA3 GLY 48 2HA GLY 48 9.204 1.432 -9.971
387 H LEU 49 H LEU 49 7.204 2.366 -10.220
388 HA LEU 49 HA LEU 49 7.061 5.227 -9.556
389 HB2 LEU 49 1HB LEU 49 5.256 3.665 -11.408
390 HB3 LEU 49 2HB LEU 49 4.962 5.312 -10.887
391 HG LEU 49 HG LEU 49 7.336 4.410 -12.519
392 HD11 LEU 49 1HD1 LEU 49 4.859 5.924 -13.330
393 HD12 LEU 49 2HD1 LEU 49 5.260 4.267 -13.780
394 HD13 LEU 49 3HD1 LEU 49 6.256 5.602 -14.357
395 HD21 LEU 49 3HD2 LEU 49 7.829 6.337 -11.100
396 HD22 LEU 49 1HD2 LEU 49 6.410 7.173 -11.733
397 HD23 LEU 49 2HD2 LEU 49 7.764 6.799 -12.801
398 H GLU 50 H GLU 50 5.189 5.869 -8.366
399 HA GLU 50 HA GLU 50 4.648 4.096 -6.218
400 HB2 GLU 50 1HB GLU 50 3.329 6.716 -6.948
401 HB3 GLU 50 2HB GLU 50 3.198 5.905 -5.393
402 HG2 GLU 50 1HG GLU 50 5.412 6.348 -4.838
403 HG3 GLU 50 2HG GLU 50 5.860 6.689 -6.507
404 H LYS 51 H LYS 51 3.335 2.421 -6.328
405 HA LYS 51 HA LYS 51 1.134 2.308 -8.208
406 HB2 LYS 51 1HB LYS 51 2.139 0.380 -6.108
407 HB3 LYS 51 2HB LYS 51 0.744 0.056 -7.124
408 HG2 LYS 51 1HG LYS 51 2.093 0.016 -9.091
409 HG3 LYS 51 2HG LYS 51 3.503 0.597 -8.201
410 HD2 LYS 51 1HD LYS 51 3.582 -1.444 -6.912
411 HD3 LYS 51 2HD LYS 51 2.088 -2.010 -7.656
412 HE2 LYS 51 1HE LYS 51 4.594 -1.423 -9.219
413 HE3 LYS 51 2HE LYS 51 4.218 -3.014 -8.559
414 HZ1 LYS 51 3HZ LYS 51 3.488 -2.998 -10.794
415 HZ2 LYS 51 1HZ LYS 51 2.694 -1.507 -10.617
416 HZ3 LYS 51 2HZ LYS 51 2.094 -2.882 -9.841
417 H THR 52 H THR 52 -0.875 2.984 -7.762
418 HA THR 52 HA THR 52 -1.463 3.663 -4.964
419 HB THR 52 HB THR 52 -2.860 4.664 -7.451
420 HG1 THR 52 HG1 THR 52 -0.591 5.280 -7.244
421 HG21 THR 52 3HG2 THR 52 -2.883 5.654 -4.595
422 HG22 THR 52 1HG2 THR 52 -4.209 4.827 -5.414
423 HG23 THR 52 2HG2 THR 52 -3.697 6.425 -5.957
424 H PHE 53 H PHE 53 -2.587 2.156 -3.945
425 HA PHE 53 HA PHE 53 -4.774 0.803 -5.387
426 HB2 PHE 53 1HB PHE 53 -3.201 -0.134 -2.976
427 HB3 PHE 53 2HB PHE 53 -4.565 -0.992 -3.684
428 HD1 PHE 53 HD1 PHE 53 -4.351 -1.671 -6.159
429 HD2 PHE 53 HD2 PHE 53 -1.049 -0.565 -3.711
430 HE1 PHE 53 HE1 PHE 53 -2.825 -2.843 -7.693
431 HE2 PHE 53 HE2 PHE 53 0.482 -1.732 -5.242
432 HZ PHE 53 HZ PHE 53 -0.405 -2.875 -7.235
433 H ARG 54 H ARG 54 -6.755 0.482 -4.243
434 HA ARG 54 HA ARG 54 -7.322 2.741 -2.502
435 HB2 ARG 54 1HB ARG 54 -9.087 0.774 -3.949
436 HB3 ARG 54 2HB ARG 54 -9.719 1.966 -2.816
437 HG2 ARG 54 1HG ARG 54 -8.817 3.764 -4.163
438 HG3 ARG 54 2HG ARG 54 -8.107 2.597 -5.276
439 HD2 ARG 54 1HD ARG 54 -11.056 2.797 -4.721
440 HD3 ARG 54 2HD ARG 54 -10.248 3.649 -6.037
441 HE ARG 54 HE ARG 54 -10.869 0.830 -5.890
442 HH11 ARG 54 1HH1 ARG 54 -8.885 3.294 -7.399
443 HH12 ARG 54 2HH1 ARG 54 -8.614 2.380 -8.845
444 HH21 ARG 54 1HH2 ARG 54 -10.513 -0.389 -7.796
445 HH22 ARG 54 2HH2 ARG 54 -9.551 0.281 -9.076
446 H LEU 55 H LEU 55 -7.934 2.640 -0.434
447 HA LEU 55 HA LEU 55 -7.986 0.006 0.869
448 HB2 LEU 55 1HB LEU 55 -6.356 2.432 1.622
449 HB3 LEU 55 2HB LEU 55 -6.623 1.076 2.708
450 HG LEU 55 HG LEU 55 -5.234 0.892 0.031
451 HD11 LEU 55 1HD1 LEU 55 -4.096 0.870 2.823
452 HD12 LEU 55 2HD1 LEU 55 -3.947 2.187 1.659
453 HD13 LEU 55 3HD1 LEU 55 -3.192 0.628 1.328
454 HD21 LEU 55 3HD2 LEU 55 -4.591 -1.341 0.797
455 HD22 LEU 55 1HD2 LEU 55 -6.344 -1.181 0.682
456 HD23 LEU 55 2HD2 LEU 55 -5.553 -1.117 2.259
457 H GLN 56 H GLN 56 -8.776 0.146 3.122
458 HA GLN 56 HA GLN 56 -10.842 2.219 3.423
459 HB2 GLN 56 1HB GLN 56 -10.518 -0.456 4.804
460 HB3 GLN 56 2HB GLN 56 -11.800 0.696 5.145
461 HG2 GLN 56 1HG GLN 56 -11.328 -0.668 2.504
462 HG3 GLN 56 2HG GLN 56 -12.551 -1.115 3.693
463 HE21 GLN 56 2HE2 GLN 56 -12.879 -0.289 0.933
464 HE22 GLN 56 1HE2 GLN 56 -13.892 1.116 0.966
465 H ALA 57 H ALA 57 -11.209 2.943 5.736
466 HA ALA 57 HA ALA 57 -8.822 4.027 6.798
467 HB1 ALA 57 3HB ALA 57 -10.999 5.122 7.063
468 HB2 ALA 57 1HB ALA 57 -10.216 4.857 8.621
469 HB3 ALA 57 2HB ALA 57 -11.533 3.804 8.107
470 H GLN 58 H GLN 58 -10.805 1.264 7.637
471 HA GLN 58 HA GLN 58 -9.610 0.435 10.008
472 HB2 GLN 58 1HB GLN 58 -11.647 -0.551 8.987
473 HB3 GLN 58 2HB GLN 58 -10.643 -1.298 7.754
474 HG2 GLN 58 1HG GLN 58 -9.443 -2.493 9.614
475 HG3 GLN 58 2HG GLN 58 -10.705 -1.900 10.694
476 HE21 GLN 58 2HE2 GLN 58 -10.026 -4.626 9.988
477 HE22 GLN 58 1HE2 GLN 58 -11.451 -5.324 9.304
478 H GLN 59 H GLN 59 -8.541 0.111 6.694
479 HA GLN 59 HA GLN 59 -6.381 -1.706 7.374
480 HB2 GLN 59 1HB GLN 59 -7.131 -0.393 4.755
481 HB3 GLN 59 2HB GLN 59 -5.884 -1.617 4.953
482 HG2 GLN 59 1HG GLN 59 -7.472 -3.276 5.515
483 HG3 GLN 59 2HG GLN 59 -8.758 -2.082 5.687
484 HE21 GLN 59 2HE2 GLN 59 -8.619 -4.464 4.010
485 HE22 GLN 59 1HE2 GLN 59 -8.853 -3.906 2.384
486 H TYR 60 H TYR 60 -6.846 1.639 6.364
487 HA TYR 60 HA TYR 60 -4.135 2.366 6.134
488 HB2 TYR 60 1HB TYR 60 -6.027 3.707 5.250
489 HB3 TYR 60 2HB TYR 60 -6.495 4.108 6.898
490 HD1 TYR 60 HD2 TYR 60 -3.649 4.404 4.515
491 HD2 TYR 60 HD1 TYR 60 -5.629 6.016 7.918
492 HE1 TYR 60 HE2 TYR 60 -2.139 6.343 4.467
493 HE2 TYR 60 HE1 TYR 60 -4.123 7.959 7.879
494 HH TYR 60 HH TYR 60 -1.883 8.536 7.038
495 H HIS 61 H HIS 61 -6.093 1.695 8.828
496 HA HIS 61 HA HIS 61 -5.039 3.137 10.925
497 HB2 HIS 61 1HB HIS 61 -6.939 1.528 11.035
498 HB3 HIS 61 2HB HIS 61 -5.792 0.203 10.932
499 HD1 HIS 61 HD1 HIS 61 -7.652 2.115 13.309
500 HD2 HIS 61 HD2 HIS 61 -3.928 0.254 13.291
501 HE1 HIS 61 HE1 HIS 61 -7.021 1.826 15.730
502 HE2 HIS 61 HE2 HIS 61 -4.841 0.553 15.694
503 H ALA 62 H ALA 62 -3.570 0.540 9.107
504 HA ALA 62 HA ALA 62 -1.474 0.175 11.103
505 HB1 ALA 62 3HB ALA 62 -0.755 -1.711 9.755
506 HB2 ALA 62 1HB ALA 62 -1.916 -1.278 8.500
507 HB3 ALA 62 2HB ALA 62 -2.484 -1.809 10.083
508 H LEU 63 H LEU 63 -1.581 0.775 7.579
509 HA LEU 63 HA LEU 63 1.224 1.282 7.499
510 HB2 LEU 63 1HB LEU 63 0.912 1.795 5.141
511 HB3 LEU 63 2HB LEU 63 0.137 0.288 5.578
512 HG LEU 63 HG LEU 63 -1.597 2.688 5.607
513 HD11 LEU 63 1HD1 LEU 63 -0.244 3.099 3.617
514 HD12 LEU 63 2HD1 LEU 63 -1.888 2.633 3.179
515 HD13 LEU 63 3HD1 LEU 63 -0.573 1.463 3.047
516 HD21 LEU 63 3HD2 LEU 63 -1.865 -0.133 4.579
517 HD22 LEU 63 1HD2 LEU 63 -3.144 1.080 4.545
518 HD23 LEU 63 2HD2 LEU 63 -2.515 0.506 6.086
519 H THR 64 H THR 64 2.318 3.101 7.547
520 HA THR 64 HA THR 64 0.848 5.656 7.521
521 HB THR 64 HB THR 64 3.361 5.088 9.111
522 HG1 THR 64 HG1 THR 64 0.860 4.298 9.609
523 HG21 THR 64 3HG2 THR 64 2.986 7.449 8.566
524 HG22 THR 64 1HG2 THR 64 2.767 7.154 10.291
525 HG23 THR 64 2HG2 THR 64 1.360 7.349 9.245
526 H VAL 65 H VAL 65 1.935 7.409 6.487
527 HA VAL 65 HA VAL 65 3.477 6.767 4.241
528 HB VAL 65 HB VAL 65 3.144 9.430 5.633
529 HG11 VAL 65 1HG1 VAL 65 3.903 10.445 3.537
530 HG12 VAL 65 2HG1 VAL 65 4.240 8.842 2.882
531 HG13 VAL 65 3HG1 VAL 65 5.163 9.445 4.258
532 HG21 VAL 65 3HG2 VAL 65 1.522 9.857 3.838
533 HG22 VAL 65 1HG2 VAL 65 1.065 8.467 4.823
534 HG23 VAL 65 2HG2 VAL 65 1.781 8.219 3.231
535 H GLY 66 H GLY 66 5.559 6.383 3.964
536 HA2 GLY 66 1HA GLY 66 7.874 6.646 4.345
537 HA3 GLY 66 2HA GLY 66 7.519 7.342 5.920
538 H ASP 67 H ASP 67 5.556 5.059 6.337
539 HA ASP 67 HA ASP 67 7.449 3.409 7.728
540 HB2 ASP 67 1HB ASP 67 5.272 3.967 8.742
541 HB3 ASP 67 2HB ASP 67 4.451 3.087 7.458
542 H GLN 68 H GLN 68 8.665 2.352 6.273
543 HA GLN 68 HA GLN 68 7.771 0.840 4.095
544 HB2 GLN 68 1HB GLN 68 10.178 0.482 5.876
545 HB3 GLN 68 2HB GLN 68 9.896 -0.475 4.429
546 HG2 GLN 68 1HG GLN 68 9.929 1.568 3.084
547 HG3 GLN 68 2HG GLN 68 10.252 2.509 4.542
548 HE21 GLN 68 2HE2 GLN 68 12.220 3.243 3.723
549 HE22 GLN 68 1HE2 GLN 68 13.608 2.209 3.625
550 H GLY 69 H GLY 69 7.175 -1.267 3.831
551 HA2 GLY 69 1HA GLY 69 7.155 -3.121 6.038
552 HA3 GLY 69 2HA GLY 69 5.555 -2.533 5.597
553 H THR 70 H THR 70 5.655 -5.081 5.318
554 HA THR 70 HA THR 70 6.802 -5.833 2.745
555 HB THR 70 HB THR 70 5.366 -7.586 4.748
556 HG1 THR 70 HG1 THR 70 7.727 -6.350 4.955
557 HG21 THR 70 3HG2 THR 70 6.631 -9.391 3.649
558 HG22 THR 70 1HG2 THR 70 7.295 -8.223 2.508
559 HG23 THR 70 2HG2 THR 70 5.565 -8.561 2.515
560 H LEU 71 H LEU 71 5.639 -6.146 0.957
561 HA LEU 71 HA LEU 71 2.710 -5.952 1.204
562 HB2 LEU 71 1HB LEU 71 3.717 -3.974 0.167
563 HB3 LEU 71 2HB LEU 71 4.498 -4.988 -1.031
564 HG LEU 71 HG LEU 71 2.286 -5.635 -1.912
565 HD11 LEU 71 1HD1 LEU 71 0.985 -5.378 0.126
566 HD12 LEU 71 2HD1 LEU 71 0.297 -4.419 -1.184
567 HD13 LEU 71 3HD1 LEU 71 1.241 -3.635 0.082
568 HD21 LEU 71 3HD2 LEU 71 1.745 -3.482 -2.940
569 HD22 LEU 71 1HD2 LEU 71 3.487 -3.756 -2.902
570 HD23 LEU 71 2HD2 LEU 71 2.740 -2.657 -1.741
571 H SER 72 H SER 72 1.659 -7.692 0.635
572 HA SER 72 HA SER 72 2.891 -9.673 -1.155
573 HB2 SER 72 1HB SER 72 0.358 -9.849 0.502
574 HB3 SER 72 2HB SER 72 1.144 -11.174 -0.358
575 HG SER 72 HG SER 72 2.580 -9.701 1.558
576 H TYR 73 H TYR 73 2.557 -9.043 -3.220
577 HA TYR 73 HA TYR 73 -0.245 -8.592 -3.970
578 HB2 TYR 73 1HB TYR 73 0.643 -7.296 -5.948
579 HB3 TYR 73 2HB TYR 73 0.825 -6.518 -4.385
580 HD1 TYR 73 HD1 TYR 73 3.075 -6.389 -3.331
581 HD2 TYR 73 HD2 TYR 73 2.539 -7.853 -7.288
582 HE1 TYR 73 HE1 TYR 73 5.465 -6.038 -3.777
583 HE2 TYR 73 HE2 TYR 73 4.932 -7.514 -7.740
584 HH TYR 73 HH TYR 73 7.188 -6.885 -5.285
585 H LYS 74 H LYS 74 -1.090 -10.055 -5.214
586 HA LYS 74 HA LYS 74 0.671 -12.050 -6.437
587 HB2 LYS 74 1HB LYS 74 -1.129 -12.765 -4.841
588 HB3 LYS 74 2HB LYS 74 -2.317 -12.166 -5.986
589 HG2 LYS 74 1HG LYS 74 -1.684 -13.809 -7.606
590 HG3 LYS 74 2HG LYS 74 -0.318 -14.326 -6.611
591 HD2 LYS 74 1HD LYS 74 -3.229 -14.534 -5.826
592 HD3 LYS 74 2HD LYS 74 -2.242 -15.864 -6.436
593 HE2 LYS 74 1HE LYS 74 -0.784 -15.724 -4.523
594 HE3 LYS 74 2HE LYS 74 -1.611 -14.280 -3.948
595 HZ1 LYS 74 3HZ LYS 74 -2.318 -16.216 -2.725
596 HZ2 LYS 74 1HZ LYS 74 -2.798 -17.000 -4.149
597 HZ3 LYS 74 2HZ LYS 74 -3.615 -15.607 -3.630
598 H GLY 75 H GLY 75 1.216 -11.456 -8.422
599 HA2 GLY 75 1HA GLY 75 0.920 -10.979 -10.671
600 HA3 GLY 75 2HA GLY 75 -0.816 -10.895 -10.393
601 H THR 76 H THR 76 -1.700 -8.951 -10.568
602 HA THR 76 HA THR 76 0.016 -6.597 -10.092
603 HB THR 76 HB THR 76 -1.606 -5.432 -11.699
604 HG1 THR 76 HG1 THR 76 -3.207 -6.681 -12.302
605 HG21 THR 76 3HG2 THR 76 0.697 -5.965 -12.309
606 HG22 THR 76 1HG2 THR 76 -0.383 -6.208 -13.682
607 HG23 THR 76 2HG2 THR 76 0.209 -7.597 -12.769
608 H ARG 77 H ARG 77 -1.968 -8.214 -8.395
609 HA ARG 77 HA ARG 77 -3.858 -6.044 -7.786
610 HB2 ARG 77 1HB ARG 77 -4.948 -8.069 -8.586
611 HB3 ARG 77 2HB ARG 77 -4.137 -9.017 -7.348
612 HG2 ARG 77 1HG ARG 77 -5.365 -7.890 -5.612
613 HG3 ARG 77 2HG ARG 77 -6.095 -6.798 -6.791
614 HD2 ARG 77 1HD ARG 77 -6.482 -9.784 -6.617
615 HD3 ARG 77 2HD ARG 77 -7.665 -8.541 -6.202
616 HE ARG 77 HE ARG 77 -6.654 -9.049 -8.933
617 HH11 ARG 77 1HH1 ARG 77 -9.183 -8.033 -6.730
618 HH12 ARG 77 2HH1 ARG 77 -10.342 -7.726 -7.988
619 HH21 ARG 77 1HH2 ARG 77 -8.165 -8.635 -10.597
620 HH22 ARG 77 2HH2 ARG 77 -9.766 -8.086 -10.187
621 H PHE 78 H PHE 78 -4.002 -5.253 -5.790
622 HA PHE 78 HA PHE 78 -2.042 -5.806 -3.815
623 HB2 PHE 78 1HB PHE 78 -3.096 -3.599 -4.040
624 HB3 PHE 78 2HB PHE 78 -4.664 -4.291 -3.646
625 HD1 PHE 78 HD1 PHE 78 -5.193 -4.949 -1.359
626 HD2 PHE 78 HD2 PHE 78 -1.468 -3.142 -2.345
627 HE1 PHE 78 HE1 PHE 78 -4.803 -4.467 1.020
628 HE2 PHE 78 HE2 PHE 78 -1.070 -2.662 0.034
629 HZ PHE 78 HZ PHE 78 -2.736 -3.325 1.720
630 H VAL 79 H VAL 79 -2.016 -7.595 -2.591
631 HA VAL 79 HA VAL 79 -4.542 -8.943 -1.991
632 HB VAL 79 HB VAL 79 -1.688 -9.860 -1.596
633 HG11 VAL 79 1HG1 VAL 79 -3.138 -10.817 0.109
634 HG12 VAL 79 2HG1 VAL 79 -2.645 -12.047 -1.055
635 HG13 VAL 79 3HG1 VAL 79 -4.265 -11.357 -1.134
636 HG21 VAL 79 3HG2 VAL 79 -2.390 -9.757 -3.934
637 HG22 VAL 79 1HG2 VAL 79 -3.800 -10.745 -3.559
638 HG23 VAL 79 2HG2 VAL 79 -2.180 -11.424 -3.401
639 H GLY 80 H GLY 80 -1.564 -8.012 -0.244
640 HA2 GLY 80 1HA GLY 80 -3.096 -6.880 1.904
641 HA3 GLY 80 2HA GLY 80 -2.374 -8.425 2.332
642 H PHE 81 H PHE 81 -1.904 -5.590 3.216
643 HA PHE 81 HA PHE 81 1.002 -5.552 2.753
644 HB2 PHE 81 1HB PHE 81 -0.015 -3.551 1.812
645 HB3 PHE 81 2HB PHE 81 -0.867 -3.236 3.320
646 HD1 PHE 81 HD1 PHE 81 2.487 -3.379 1.768
647 HD2 PHE 81 HD2 PHE 81 0.157 -2.041 5.069
648 HE1 PHE 81 HE1 PHE 81 4.382 -2.023 2.553
649 HE2 PHE 81 HE2 PHE 81 2.048 -0.681 5.857
650 HZ PHE 81 HZ PHE 81 4.165 -0.671 4.601
651 H VAL 82 H VAL 82 2.245 -5.834 4.486
652 HA VAL 82 HA VAL 82 1.081 -5.368 7.148
653 HB VAL 82 HB VAL 82 2.788 -7.759 6.408
654 HG11 VAL 82 1HG1 VAL 82 1.492 -6.996 9.023
655 HG12 VAL 82 2HG1 VAL 82 3.220 -6.988 8.668
656 HG13 VAL 82 3HG1 VAL 82 2.332 -8.513 8.700
657 HG21 VAL 82 3HG2 VAL 82 -0.139 -7.626 7.128
658 HG22 VAL 82 1HG2 VAL 82 0.794 -9.102 6.890
659 HG23 VAL 82 2HG2 VAL 82 0.528 -8.000 5.540
660 H SER 83 H SER 83 2.242 -3.716 7.928
661 HA SER 83 HA SER 83 4.877 -3.066 7.272
662 HB2 SER 83 1HB SER 83 3.353 -2.490 9.827
663 HB3 SER 83 2HB SER 83 4.832 -1.675 9.316
664 HG SER 83 HG SER 83 3.578 -0.367 8.280
665 H ARG 84 H ARG 84 6.855 -3.505 8.297
666 HA ARG 84 HA ARG 84 6.974 -6.114 9.469
667 HB2 ARG 84 1HB ARG 84 9.437 -5.711 9.554
668 HB3 ARG 84 2HB ARG 84 8.722 -5.553 7.959
669 HG2 ARG 84 1HG ARG 84 8.695 -3.061 8.350
670 HG3 ARG 84 2HG ARG 84 9.691 -3.368 9.777
671 HD2 ARG 84 1HD ARG 84 11.344 -4.507 8.350
672 HD3 ARG 84 2HD ARG 84 10.361 -4.137 6.937
673 HE ARG 84 HE ARG 84 11.523 -2.017 8.633
674 HH11 ARG 84 1HH1 ARG 84 10.929 -3.443 5.476
675 HH12 ARG 84 2HH1 ARG 84 11.712 -2.153 4.618
676 HH21 ARG 84 1HH2 ARG 84 12.547 -0.339 7.494
677 HH22 ARG 84 2HH2 ARG 84 12.631 -0.392 5.759
678 H THR 85 H THR 85 6.429 -3.081 10.720
679 HA THR 85 HA THR 85 7.273 -3.853 13.408
680 HB THR 85 HB THR 85 5.885 -1.316 12.500
681 HG1 THR 85 HG1 THR 85 7.996 -0.407 12.626
682 HG21 THR 85 3HG2 THR 85 7.333 -1.999 15.064
683 HG22 THR 85 1HG2 THR 85 5.591 -1.787 14.878
684 HG23 THR 85 2HG2 THR 85 6.676 -0.416 14.648
685 HA PRO 86 HA PRO 86 3.238 -5.768 13.673
686 HB2 PRO 86 1HB PRO 86 3.946 -6.247 16.482
687 HB3 PRO 86 2HB PRO 86 3.618 -7.408 15.194
688 HG2 PRO 86 1HG PRO 86 6.094 -7.031 16.180
689 HG3 PRO 86 2HG PRO 86 5.811 -7.426 14.473
690 HD2 PRO 86 1HD PRO 86 6.414 -4.778 15.736
691 HD3 PRO 86 2HD PRO 86 7.031 -5.470 14.220
692 H ASP 87 H ASP 87 1.307 -4.953 14.122
693 HA ASP 87 HA ASP 87 0.959 -2.628 15.742
694 HB2 ASP 87 1HB ASP 87 -0.479 -2.948 13.825
695 HB3 ASP 87 2HB ASP 87 -1.029 -4.502 14.439
696 H ASN 88 H ASN 88 -0.441 -2.522 17.647
697 HA ASN 88 HA ASN 88 0.389 -4.688 19.432
698 HB2 ASN 88 1HB ASN 88 0.993 -2.258 19.829
699 HB3 ASN 88 2HB ASN 88 -0.706 -1.976 20.187
700 HD21 ASN 88 2HD2 ASN 88 -0.406 -1.401 22.280
701 HD22 ASN 88 1HD2 ASN 88 0.109 -2.509 23.513
702 H GLU 89 H GLU 89 -1.926 -5.111 17.762
703 HA GLU 89 HA GLU 89 -4.053 -5.159 19.792
704 HB2 GLU 89 1HB GLU 89 -4.778 -3.970 17.839
705 HB3 GLU 89 2HB GLU 89 -4.217 -5.255 16.782
706 HG2 GLU 89 1HG GLU 89 -6.630 -5.278 16.978
707 HG3 GLU 89 2HG GLU 89 -5.931 -6.744 17.660
708 H LEU 90 H LEU 90 -3.154 -7.118 16.972
709 HA LEU 90 HA LEU 90 -4.341 -9.466 18.027
710 HB2 LEU 90 1HB LEU 90 -2.312 -9.159 15.814
711 HB3 LEU 90 2HB LEU 90 -3.228 -10.616 16.147
712 HG LEU 90 HG LEU 90 -4.395 -7.971 15.271
713 HD11 LEU 90 1HD1 LEU 90 -4.035 -10.569 13.786
714 HD12 LEU 90 2HD1 LEU 90 -3.161 -9.066 13.490
715 HD13 LEU 90 3HD1 LEU 90 -4.895 -9.151 13.186
716 HD21 LEU 90 3HD2 LEU 90 -5.910 -9.212 16.726
717 HD22 LEU 90 1HD2 LEU 90 -5.713 -10.646 15.717
718 HD23 LEU 90 2HD2 LEU 90 -6.490 -9.205 15.060
719 H GLU 91 H GLU 91 -3.569 -11.001 19.321
720 HA GLU 91 HA GLU 91 -0.964 -10.611 20.510
721 HB2 GLU 91 1HB GLU 91 -2.805 -11.162 21.971
722 HB3 GLU 91 2HB GLU 91 -3.171 -12.608 21.041
723 HG2 GLU 91 1HG GLU 91 -1.095 -13.626 21.737
724 HG3 GLU 91 2HG GLU 91 -0.627 -12.152 22.584
725 H HIS 92 H HIS 92 0.824 -11.547 19.830
726 HA HIS 92 HA HIS 92 0.605 -14.054 18.296
727 HB2 HIS 92 1HB HIS 92 2.531 -11.760 17.879
728 HB3 HIS 92 2HB HIS 92 2.696 -13.333 17.107
729 HD1 HIS 92 HD1 HIS 92 0.898 -10.119 16.878
730 HD2 HIS 92 HD2 HIS 92 0.702 -13.889 15.134
731 HE1 HIS 92 HE1 HIS 92 -0.537 -9.847 14.826
732 HE2 HIS 92 HE2 HIS 92 -0.495 -12.099 13.694
733 H HIS 93 H HIS 93 1.882 -15.697 18.905
734 HA HIS 93 HA HIS 93 3.197 -15.574 21.428
735 HB2 HIS 93 1HB HIS 93 2.084 -17.615 20.459
736 HB3 HIS 93 2HB HIS 93 3.425 -17.741 19.326
737 HD1 HIS 93 HD1 HIS 93 2.607 -18.085 22.980
738 HD2 HIS 93 HD2 HIS 93 5.729 -18.884 20.351
739 HE1 HIS 93 HE1 HIS 93 4.242 -19.496 24.274
740 HE2 HIS 93 HE2 HIS 93 5.965 -20.193 22.572
741 H HIS 94 H HIS 94 4.174 -15.233 18.118
742 HA HIS 94 HA HIS 94 6.967 -14.863 18.994
743 HB2 HIS 94 1HB HIS 94 6.268 -16.692 17.225
744 HB3 HIS 94 2HB HIS 94 6.207 -15.318 16.128
745 HD1 HIS 94 HD1 HIS 94 8.319 -14.949 14.909
746 HD2 HIS 94 HD2 HIS 94 8.954 -16.736 18.612
747 HE1 HIS 94 HE1 HIS 94 10.791 -15.409 15.031
748 HE2 HIS 94 HE2 HIS 94 11.107 -16.677 17.184
749 H HIS 95 H HIS 95 7.606 -12.803 18.993
750 HA HIS 95 HA HIS 95 5.887 -10.840 17.642
751 HB2 HIS 95 1HB HIS 95 7.896 -10.490 19.878
752 HB3 HIS 95 2HB HIS 95 6.954 -9.186 19.164
753 HD1 HIS 95 HD1 HIS 95 6.864 -11.706 21.792
754 HD2 HIS 95 HD2 HIS 95 4.085 -9.487 19.634
755 HE1 HIS 95 HE1 HIS 95 4.719 -11.844 23.101
756 HE2 HIS 95 HE2 HIS 95 3.012 -10.644 21.683
757 H HIS 96 H HIS 96 9.264 -11.774 18.052
758 HA HIS 96 HA HIS 96 10.208 -9.676 16.302
759 HB2 HIS 96 1HB HIS 96 11.446 -10.725 18.316
760 HB3 HIS 96 2HB HIS 96 11.814 -12.054 17.224
761 HD1 HIS 96 HD1 HIS 96 12.397 -8.332 17.595
762 HD2 HIS 96 HD2 HIS 96 13.966 -11.621 15.584
763 HE1 HIS 96 HE1 HIS 96 14.529 -7.527 16.528
764 HE2 HIS 96 HE2 HIS 96 15.564 -9.586 15.518
765 H HIS 97 H HIS 97 11.033 -9.967 14.200
766 HA HIS 97 HA HIS 97 10.128 -12.471 12.934
767 HB2 HIS 97 1HB HIS 97 10.076 -9.676 11.778
768 HB3 HIS 97 2HB HIS 97 9.635 -11.139 10.905
769 HD1 HIS 97 HD1 HIS 97 7.471 -12.410 11.787
770 HD2 HIS 97 HD2 HIS 97 8.090 -8.600 13.332
771 HE1 HIS 97 HE1 HIS 97 5.283 -11.741 12.833
772 HE2 HIS 97 HE2 HIS 97 5.772 -9.548 13.973
Start of MODEL 20
1 H1 MET 1 1H MET 1 8.229 -20.533 -5.373
2 H2 MET 1 2H MET 1 9.134 -19.610 -6.465
3 H3 MET 1 3H MET 1 8.867 -21.257 -6.769
4 HA MET 1 HA MET 1 7.447 -19.954 -8.172
5 HB2 MET 1 1HB MET 1 5.920 -21.229 -5.892
6 HB3 MET 1 2HB MET 1 5.249 -20.839 -7.468
7 HG2 MET 1 1HG MET 1 6.783 -22.416 -8.516
8 HG3 MET 1 2HG MET 1 7.462 -22.804 -6.935
9 HE1 MET 1 3HE MET 1 7.041 -25.371 -7.245
10 HE2 MET 1 1HE MET 1 6.419 -25.059 -8.865
11 HE3 MET 1 2HE MET 1 5.498 -26.065 -7.745
12 H ALA 2 H ALA 2 6.785 -19.349 -4.741
13 HA ALA 2 HA ALA 2 5.890 -17.618 -3.609
14 HB1 ALA 2 3HB ALA 2 6.838 -15.953 -5.936
15 HB2 ALA 2 1HB ALA 2 7.816 -16.421 -4.546
16 HB3 ALA 2 2HB ALA 2 6.420 -15.365 -4.327
17 HA PRO 3 HA PRO 3 1.881 -17.721 -5.910
18 HB2 PRO 3 1HB PRO 3 0.456 -18.205 -3.612
19 HB3 PRO 3 2HB PRO 3 1.090 -19.474 -4.665
20 HG2 PRO 3 1HG PRO 3 2.206 -18.400 -2.110
21 HG3 PRO 3 2HG PRO 3 2.132 -20.075 -2.686
22 HD2 PRO 3 1HD PRO 3 4.395 -18.611 -2.806
23 HD3 PRO 3 2HD PRO 3 3.987 -19.822 -4.039
24 H LEU 4 H LEU 4 2.757 -16.371 -2.771
25 HA LEU 4 HA LEU 4 1.281 -13.920 -3.433
26 HB2 LEU 4 1HB LEU 4 0.746 -15.081 -1.268
27 HB3 LEU 4 2HB LEU 4 2.395 -14.781 -0.761
28 HG LEU 4 HG LEU 4 2.000 -12.369 -0.846
29 HD11 LEU 4 1HD1 LEU 4 0.333 -12.317 -2.620
30 HD12 LEU 4 2HD1 LEU 4 -0.267 -11.508 -1.172
31 HD13 LEU 4 3HD1 LEU 4 -0.826 -13.132 -1.570
32 HD21 LEU 4 3HD2 LEU 4 0.473 -12.236 1.062
33 HD22 LEU 4 1HD2 LEU 4 1.608 -13.574 1.234
34 HD23 LEU 4 2HD2 LEU 4 -0.059 -13.889 0.751
35 H GLN 5 H GLN 5 2.585 -12.503 -4.409
36 HA GLN 5 HA GLN 5 5.447 -12.697 -4.104
37 HB2 GLN 5 1HB GLN 5 3.746 -10.766 -5.695
38 HB3 GLN 5 2HB GLN 5 5.500 -10.887 -5.789
39 HG2 GLN 5 1HG GLN 5 5.335 -13.140 -6.639
40 HG3 GLN 5 2HG GLN 5 3.584 -13.112 -6.452
41 HE21 GLN 5 2HE2 GLN 5 5.213 -13.566 -8.819
42 HE22 GLN 5 1HE2 GLN 5 4.731 -12.363 -9.975
43 H GLN 6 H GLN 6 6.429 -11.820 -2.446
44 HA GLN 6 HA GLN 6 5.276 -9.397 -1.239
45 HB2 GLN 6 1HB GLN 6 6.954 -11.563 0.036
46 HB3 GLN 6 2HB GLN 6 6.398 -10.109 0.851
47 HG2 GLN 6 1HG GLN 6 4.077 -10.818 0.518
48 HG3 GLN 6 2HG GLN 6 4.650 -12.286 -0.275
49 HE21 GLN 6 2HE2 GLN 6 3.048 -11.966 2.152
50 HE22 GLN 6 1HE2 GLN 6 3.919 -12.765 3.415
51 H LYS 7 H LYS 7 6.380 -7.650 -1.770
52 HA LYS 7 HA LYS 7 9.288 -7.712 -1.378
53 HB2 LYS 7 1HB LYS 7 8.662 -7.701 -3.861
54 HB3 LYS 7 2HB LYS 7 8.010 -6.091 -3.585
55 HG2 LYS 7 1HG LYS 7 10.227 -5.354 -2.806
56 HG3 LYS 7 2HG LYS 7 10.865 -6.956 -3.170
57 HD2 LYS 7 1HD LYS 7 10.047 -6.588 -5.541
58 HD3 LYS 7 2HD LYS 7 9.791 -4.902 -5.081
59 HE2 LYS 7 1HE LYS 7 12.138 -4.686 -4.492
60 HE3 LYS 7 2HE LYS 7 12.410 -6.381 -4.892
61 HZ1 LYS 7 3HZ LYS 7 11.685 -5.835 -7.192
62 HZ2 LYS 7 1HZ LYS 7 13.123 -5.063 -6.716
63 HZ3 LYS 7 2HZ LYS 7 11.667 -4.194 -6.758
64 H GLN 8 H GLN 8 10.133 -5.685 -0.608
65 HA GLN 8 HA GLN 8 8.141 -4.317 0.978
66 HB2 GLN 8 1HB GLN 8 11.145 -4.022 0.922
67 HB3 GLN 8 2HB GLN 8 10.070 -3.222 2.063
68 HG2 GLN 8 1HG GLN 8 9.289 -5.524 2.741
69 HG3 GLN 8 2HG GLN 8 10.645 -6.154 1.805
70 HE21 GLN 8 2HE2 GLN 8 10.089 -6.308 4.657
71 HE22 GLN 8 1HE2 GLN 8 11.457 -5.605 5.450
72 H VAL 9 H VAL 9 7.592 -2.210 0.893
73 HA VAL 9 HA VAL 9 8.743 -0.537 -1.222
74 HB VAL 9 HB VAL 9 6.446 0.268 -1.815
75 HG11 VAL 9 1HG1 VAL 9 6.992 -2.655 -2.325
76 HG12 VAL 9 2HG1 VAL 9 7.602 -1.298 -3.271
77 HG13 VAL 9 3HG1 VAL 9 5.874 -1.647 -3.243
78 HG21 VAL 9 3HG2 VAL 9 5.279 -0.473 0.191
79 HG22 VAL 9 1HG2 VAL 9 5.566 -2.155 -0.250
80 HG23 VAL 9 2HG2 VAL 9 4.527 -1.145 -1.256
81 H VAL 10 H VAL 10 7.851 1.750 -1.021
82 HA VAL 10 HA VAL 10 7.640 2.479 1.822
83 HB VAL 10 HB VAL 10 8.359 4.276 -0.502
84 HG11 VAL 10 1HG1 VAL 10 8.522 4.705 2.479
85 HG12 VAL 10 2HG1 VAL 10 7.387 5.474 1.369
86 HG13 VAL 10 3HG1 VAL 10 9.111 5.826 1.251
87 HG21 VAL 10 3HG2 VAL 10 10.091 2.603 -0.212
88 HG22 VAL 10 1HG2 VAL 10 10.174 2.961 1.513
89 HG23 VAL 10 2HG2 VAL 10 10.662 4.179 0.335
90 H VAL 11 H VAL 11 5.619 2.924 2.460
91 HA VAL 11 HA VAL 11 3.512 3.706 0.716
92 HB VAL 11 HB VAL 11 3.640 4.247 3.685
93 HG11 VAL 11 1HG1 VAL 11 1.209 4.027 3.567
94 HG12 VAL 11 2HG1 VAL 11 1.316 3.738 1.831
95 HG13 VAL 11 3HG1 VAL 11 1.789 5.302 2.495
96 HG21 VAL 11 3HG2 VAL 11 4.233 1.922 3.322
97 HG22 VAL 11 1HG2 VAL 11 2.821 1.702 2.289
98 HG23 VAL 11 2HG2 VAL 11 2.613 2.037 4.009
99 H SER 12 H SER 12 3.890 5.514 -0.464
100 HA SER 12 HA SER 12 5.596 7.568 0.592
101 HB2 SER 12 1HB SER 12 5.715 6.744 -1.770
102 HB3 SER 12 2HB SER 12 4.158 7.516 -2.068
103 HG SER 12 HG SER 12 6.365 8.953 -1.020
104 H ASN 13 H ASN 13 2.198 7.434 -0.482
105 HA ASN 13 HA ASN 13 1.476 9.569 1.280
106 HB2 ASN 13 1HB ASN 13 2.586 10.840 -0.547
107 HB3 ASN 13 2HB ASN 13 1.447 10.146 -1.694
108 HD21 ASN 13 2HD2 ASN 13 0.608 12.112 -2.298
109 HD22 ASN 13 1HD2 ASN 13 -0.392 13.064 -1.261
110 H LYS 14 H LYS 14 -0.759 9.871 1.416
111 HA LYS 14 HA LYS 14 -2.393 7.797 0.193
112 HB2 LYS 14 1HB LYS 14 -4.191 8.659 1.628
113 HB3 LYS 14 2HB LYS 14 -2.748 8.310 2.572
114 HG2 LYS 14 1HG LYS 14 -2.253 10.569 2.874
115 HG3 LYS 14 2HG LYS 14 -3.312 11.069 1.556
116 HD2 LYS 14 1HD LYS 14 -5.261 10.369 2.869
117 HD3 LYS 14 2HD LYS 14 -4.192 9.894 4.189
118 HE2 LYS 14 1HE LYS 14 -5.227 12.119 4.514
119 HE3 LYS 14 2HE LYS 14 -3.466 12.162 4.493
120 HZ1 LYS 14 3HZ LYS 14 -3.472 13.043 2.313
121 HZ2 LYS 14 1HZ LYS 14 -4.586 13.958 3.205
122 HZ3 LYS 14 2HZ LYS 14 -5.135 12.778 2.117
123 H ARG 15 H ARG 15 -4.240 8.294 -1.087
124 HA ARG 15 HA ARG 15 -4.372 11.028 -2.136
125 HB2 ARG 15 1HB ARG 15 -4.261 8.556 -3.882
126 HB3 ARG 15 2HB ARG 15 -4.499 10.201 -4.445
127 HG2 ARG 15 1HG ARG 15 -2.258 10.790 -3.659
128 HG3 ARG 15 2HG ARG 15 -2.023 9.129 -3.112
129 HD2 ARG 15 1HD ARG 15 -2.366 8.350 -5.425
130 HD3 ARG 15 2HD ARG 15 -2.512 10.026 -5.947
131 HE ARG 15 HE ARG 15 -0.070 9.512 -4.545
132 HH11 ARG 15 1HH1 ARG 15 -1.644 9.318 -7.663
133 HH12 ARG 15 2HH1 ARG 15 -0.160 9.352 -8.558
134 HH21 ARG 15 1HH2 ARG 15 1.886 9.518 -5.713
135 HH22 ARG 15 2HH2 ARG 15 1.850 9.426 -7.457
136 H GLU 16 H GLU 16 -6.330 11.348 -3.468
137 HA GLU 16 HA GLU 16 -8.424 9.345 -3.168
138 HB2 GLU 16 1HB GLU 16 -8.822 10.900 -1.312
139 HB3 GLU 16 2HB GLU 16 -8.772 12.263 -2.422
140 HG2 GLU 16 1HG GLU 16 -10.759 11.300 -3.580
141 HG3 GLU 16 2HG GLU 16 -10.843 10.081 -2.309
142 H LYS 17 H LYS 17 -8.279 8.903 -5.352
143 HA LYS 17 HA LYS 17 -8.961 11.143 -7.143
144 HB2 LYS 17 1HB LYS 17 -7.813 8.440 -7.869
145 HB3 LYS 17 2HB LYS 17 -8.109 9.771 -8.975
146 HG2 LYS 17 1HG LYS 17 -6.271 10.151 -6.654
147 HG3 LYS 17 2HG LYS 17 -5.710 9.307 -8.093
148 HD2 LYS 17 1HD LYS 17 -5.079 11.584 -8.336
149 HD3 LYS 17 2HD LYS 17 -6.431 11.312 -9.430
150 HE2 LYS 17 1HE LYS 17 -7.073 12.294 -6.709
151 HE3 LYS 17 2HE LYS 17 -6.272 13.423 -7.798
152 HZ1 LYS 17 3HZ LYS 17 -8.722 13.531 -7.869
153 HZ2 LYS 17 1HZ LYS 17 -8.761 11.948 -8.472
154 HZ3 LYS 17 2HZ LYS 17 -8.032 13.178 -9.375
155 HA PRO 18 HA PRO 18 -12.906 8.842 -6.804
156 HB2 PRO 18 1HB PRO 18 -14.398 10.969 -7.680
157 HB3 PRO 18 2HB PRO 18 -13.968 10.701 -5.988
158 HG2 PRO 18 1HG PRO 18 -12.696 12.507 -8.004
159 HG3 PRO 18 2HG PRO 18 -13.049 12.810 -6.292
160 HD2 PRO 18 1HD PRO 18 -10.575 12.184 -7.146
161 HD3 PRO 18 2HD PRO 18 -11.191 11.637 -5.573
162 H VAL 19 H VAL 19 -13.749 7.670 -8.422
163 HA VAL 19 HA VAL 19 -12.890 7.855 -11.076
164 HB VAL 19 HB VAL 19 -15.474 6.626 -10.087
165 HG11 VAL 19 1HG1 VAL 19 -15.286 5.188 -12.057
166 HG12 VAL 19 2HG1 VAL 19 -13.839 6.062 -12.558
167 HG13 VAL 19 3HG1 VAL 19 -15.397 6.889 -12.511
168 HG21 VAL 19 3HG2 VAL 19 -12.726 5.406 -10.344
169 HG22 VAL 19 1HG2 VAL 19 -14.201 4.530 -9.938
170 HG23 VAL 19 2HG2 VAL 19 -13.574 5.759 -8.839
171 H ASN 20 H ASN 20 -13.438 9.215 -12.657
172 HA ASN 20 HA ASN 20 -15.034 11.471 -12.058
173 HB2 ASN 20 1HB ASN 20 -13.733 10.547 -14.616
174 HB3 ASN 20 2HB ASN 20 -14.626 12.059 -14.491
175 HD21 ASN 20 2HD2 ASN 20 -11.798 11.518 -15.056
176 HD22 ASN 20 1HD2 ASN 20 -10.914 12.431 -13.881
177 H ASP 21 H ASP 21 -16.025 8.459 -12.916
178 HA ASP 21 HA ASP 21 -18.249 9.210 -14.585
179 HB2 ASP 21 1HB ASP 21 -17.541 6.629 -13.184
180 HB3 ASP 21 2HB ASP 21 -18.982 6.833 -14.176
181 H ARG 22 H ARG 22 -17.545 9.372 -11.311
182 HA ARG 22 HA ARG 22 -20.309 9.203 -10.421
183 HB2 ARG 22 1HB ARG 22 -18.485 8.420 -8.943
184 HB3 ARG 22 2HB ARG 22 -17.805 10.039 -8.930
185 HG2 ARG 22 1HG ARG 22 -19.847 10.871 -7.843
186 HG3 ARG 22 2HG ARG 22 -20.483 9.224 -7.816
187 HD2 ARG 22 1HD ARG 22 -18.606 8.515 -6.425
188 HD3 ARG 22 2HD ARG 22 -17.943 10.147 -6.472
189 HE ARG 22 HE ARG 22 -20.636 10.034 -5.465
190 HH11 ARG 22 1HH1 ARG 22 -17.255 9.652 -4.566
191 HH12 ARG 22 2HH1 ARG 22 -17.519 10.124 -2.913
192 HH21 ARG 22 1HH2 ARG 22 -20.970 10.612 -3.292
193 HH22 ARG 22 2HH2 ARG 22 -19.632 10.660 -2.184
194 H ARG 23 H ARG 23 -21.374 10.833 -11.486
195 HA ARG 23 HA ARG 23 -20.376 13.579 -11.061
196 HB2 ARG 23 1HB ARG 23 -21.997 12.616 -13.420
197 HB3 ARG 23 2HB ARG 23 -21.242 14.190 -13.223
198 HG2 ARG 23 1HG ARG 23 -19.075 13.282 -13.487
199 HG3 ARG 23 2HG ARG 23 -19.684 11.629 -13.368
200 HD2 ARG 23 1HD ARG 23 -21.064 12.155 -15.435
201 HD3 ARG 23 2HD ARG 23 -20.070 13.603 -15.600
202 HE ARG 23 HE ARG 23 -18.176 12.228 -15.979
203 HH11 ARG 23 1HH1 ARG 23 -21.213 10.482 -15.792
204 HH12 ARG 23 2HH1 ARG 23 -20.575 9.043 -16.535
205 HH21 ARG 23 1HH2 ARG 23 -17.334 10.329 -16.949
206 HH22 ARG 23 2HH2 ARG 23 -18.381 8.964 -17.198
207 H SER 24 H SER 24 -22.485 14.953 -12.032
208 HA SER 24 HA SER 24 -24.711 14.223 -10.259
209 HB2 SER 24 1HB SER 24 -23.574 16.388 -9.769
210 HB3 SER 24 2HB SER 24 -23.966 16.937 -11.396
211 HG SER 24 HG SER 24 -25.413 17.403 -9.405
212 H ARG 25 H ARG 25 -26.890 14.960 -11.144
213 HA ARG 25 HA ARG 25 -27.181 14.006 -13.855
214 HB2 ARG 25 1HB ARG 25 -29.120 14.967 -11.765
215 HB3 ARG 25 2HB ARG 25 -29.640 14.715 -13.423
216 HG2 ARG 25 1HG ARG 25 -30.180 12.765 -12.174
217 HG3 ARG 25 2HG ARG 25 -28.841 12.363 -13.249
218 HD2 ARG 25 1HD ARG 25 -27.275 12.638 -11.382
219 HD3 ARG 25 2HD ARG 25 -28.623 13.023 -10.313
220 HE ARG 25 HE ARG 25 -28.775 10.471 -11.692
221 HH11 ARG 25 1HH1 ARG 25 -27.821 12.177 -8.788
222 HH12 ARG 25 2HH1 ARG 25 -27.918 10.771 -7.772
223 HH21 ARG 25 1HH2 ARG 25 -28.920 8.624 -10.368
224 HH22 ARG 25 2HH2 ARG 25 -28.541 8.740 -8.676
225 H GLN 26 H GLN 26 -26.767 16.990 -12.291
226 HA GLN 26 HA GLN 26 -27.097 18.406 -14.840
227 HB2 GLN 26 1HB GLN 26 -28.168 19.235 -12.146
228 HB3 GLN 26 2HB GLN 26 -27.894 20.391 -13.438
229 HG2 GLN 26 1HG GLN 26 -29.476 19.184 -14.851
230 HG3 GLN 26 2HG GLN 26 -29.752 18.028 -13.547
231 HE21 GLN 26 2HE2 GLN 26 -31.567 19.930 -14.917
232 HE22 GLN 26 1HE2 GLN 26 -32.263 20.878 -13.641
233 H GLN 27 H GLN 27 -26.240 20.852 -14.205
234 HA GLN 27 HA GLN 27 -23.535 20.436 -13.172
235 HB2 GLN 27 1HB GLN 27 -24.778 22.865 -14.487
236 HB3 GLN 27 2HB GLN 27 -23.082 22.689 -14.051
237 HG2 GLN 27 1HG GLN 27 -22.873 20.825 -15.618
238 HG3 GLN 27 2HG GLN 27 -24.571 21.011 -16.059
239 HE21 GLN 27 2HE2 GLN 27 -22.197 21.190 -17.718
240 HE22 GLN 27 1HE2 GLN 27 -22.217 22.772 -18.431
241 H GLU 28 H GLU 28 -26.568 21.408 -12.192
242 HA GLU 28 HA GLU 28 -25.740 23.181 -10.069
243 HB2 GLU 28 1HB GLU 28 -28.403 21.804 -10.479
244 HB3 GLU 28 2HB GLU 28 -28.081 23.163 -9.412
245 HG2 GLU 28 1HG GLU 28 -27.486 24.507 -11.424
246 HG3 GLU 28 2HG GLU 28 -28.029 23.156 -12.418
247 H VAL 29 H VAL 29 -24.972 22.513 -8.182
248 HA VAL 29 HA VAL 29 -24.366 21.208 -6.434
249 HB VAL 29 HB VAL 29 -26.805 19.546 -7.103
250 HG11 VAL 29 1HG1 VAL 29 -26.678 18.816 -4.765
251 HG12 VAL 29 2HG1 VAL 29 -25.184 19.732 -4.565
252 HG13 VAL 29 3HG1 VAL 29 -25.235 18.358 -5.670
253 HG21 VAL 29 3HG2 VAL 29 -27.936 20.847 -5.365
254 HG22 VAL 29 1HG2 VAL 29 -27.393 21.877 -6.688
255 HG23 VAL 29 2HG2 VAL 29 -26.495 21.843 -5.171
256 H SER 30 H SER 30 -22.457 20.533 -7.391
257 HA SER 30 HA SER 30 -22.520 17.760 -8.372
258 HB2 SER 30 1HB SER 30 -20.741 19.985 -9.398
259 HB3 SER 30 2HB SER 30 -20.694 18.303 -9.926
260 HG SER 30 HG SER 30 -23.200 19.348 -10.069
261 HA PRO 31 HA PRO 31 -19.792 17.466 -4.790
262 HB2 PRO 31 1HB PRO 31 -19.906 14.601 -5.447
263 HB3 PRO 31 2HB PRO 31 -20.370 15.427 -3.958
264 HG2 PRO 31 1HG PRO 31 -22.201 14.376 -5.619
265 HG3 PRO 31 2HG PRO 31 -22.507 15.868 -4.711
266 HD2 PRO 31 1HD PRO 31 -21.732 15.524 -7.586
267 HD3 PRO 31 2HD PRO 31 -22.919 16.633 -6.864
268 H ALA 32 H ALA 32 -17.605 17.033 -4.554
269 HA ALA 32 HA ALA 32 -16.075 17.020 -6.980
270 HB1 ALA 32 3HB ALA 32 -14.142 17.257 -5.520
271 HB2 ALA 32 1HB ALA 32 -15.143 16.900 -4.112
272 HB3 ALA 32 2HB ALA 32 -15.419 18.373 -5.041
273 H GLY 33 H GLY 33 -17.228 14.659 -4.812
274 HA2 GLY 33 1HA GLY 33 -17.205 12.346 -5.465
275 HA3 GLY 33 2HA GLY 33 -15.635 12.616 -6.212
276 H THR 34 H THR 34 -16.495 13.833 -3.062
277 HA THR 34 HA THR 34 -14.190 12.731 -1.844
278 HB THR 34 HB THR 34 -16.623 13.782 -0.395
279 HG1 THR 34 HG1 THR 34 -14.511 15.186 -1.715
280 HG21 THR 34 3HG2 THR 34 -14.960 14.548 1.242
281 HG22 THR 34 1HG2 THR 34 -13.671 13.853 0.258
282 HG23 THR 34 2HG2 THR 34 -14.870 12.801 1.012
283 H SER 35 H SER 35 -13.950 11.014 -0.448
284 HA SER 35 HA SER 35 -16.249 9.483 0.415
285 HB2 SER 35 1HB SER 35 -15.137 7.347 -0.553
286 HB3 SER 35 2HB SER 35 -16.073 8.370 -1.641
287 HG SER 35 HG SER 35 -13.492 9.185 -1.519
288 H MET 36 H MET 36 -15.536 7.603 1.822
289 HA MET 36 HA MET 36 -13.242 8.485 3.408
290 HB2 MET 36 1HB MET 36 -15.453 6.512 3.986
291 HB3 MET 36 2HB MET 36 -14.088 6.780 5.063
292 HG2 MET 36 1HG MET 36 -16.165 8.797 4.249
293 HG3 MET 36 2HG MET 36 -15.990 8.031 5.826
294 HE1 MET 36 3HE MET 36 -13.826 8.420 7.402
295 HE2 MET 36 1HE MET 36 -12.517 9.528 6.989
296 HE3 MET 36 2HE MET 36 -12.753 8.053 6.051
297 H ARG 37 H ARG 37 -13.800 6.455 0.908
298 HA ARG 37 HA ARG 37 -11.804 4.488 1.741
299 HB2 ARG 37 1HB ARG 37 -13.504 4.622 -0.760
300 HB3 ARG 37 2HB ARG 37 -12.365 3.337 -0.378
301 HG2 ARG 37 1HG ARG 37 -13.678 2.779 1.614
302 HG3 ARG 37 2HG ARG 37 -14.832 4.046 1.193
303 HD2 ARG 37 1HD ARG 37 -15.332 2.902 -0.902
304 HD3 ARG 37 2HD ARG 37 -14.161 1.645 -0.502
305 HE ARG 37 HE ARG 37 -16.432 2.127 1.294
306 HH11 ARG 37 1HH1 ARG 37 -14.749 0.066 -0.979
307 HH12 ARG 37 2HH1 ARG 37 -15.651 -1.361 -0.553
308 HH21 ARG 37 1HH2 ARG 37 -17.628 0.263 1.863
309 HH22 ARG 37 2HH2 ARG 37 -17.287 -1.252 1.071
310 H TYR 38 H TYR 38 -9.910 5.569 1.682
311 HA TYR 38 HA TYR 38 -9.295 7.356 -0.510
312 HB2 TYR 38 1HB TYR 38 -7.613 6.548 1.872
313 HB3 TYR 38 2HB TYR 38 -7.245 7.846 0.743
314 HD1 TYR 38 HD2 TYR 38 -9.025 9.742 0.563
315 HD2 TYR 38 HD1 TYR 38 -8.783 7.013 3.819
316 HE1 TYR 38 HE2 TYR 38 -10.276 11.322 1.973
317 HE2 TYR 38 HE1 TYR 38 -10.034 8.584 5.238
318 HH TYR 38 HH TYR 38 -11.750 11.174 4.045
319 H GLU 39 H GLU 39 -6.702 7.094 -0.980
320 HA GLU 39 HA GLU 39 -6.235 4.310 -1.782
321 HB2 GLU 39 1HB GLU 39 -5.773 6.750 -3.519
322 HB3 GLU 39 2HB GLU 39 -5.397 5.087 -3.957
323 HG2 GLU 39 1HG GLU 39 -7.719 4.502 -3.975
324 HG3 GLU 39 2HG GLU 39 -8.170 6.081 -3.335
325 H ALA 40 H ALA 40 -3.981 3.774 -1.991
326 HA ALA 40 HA ALA 40 -2.203 5.714 -0.657
327 HB1 ALA 40 3HB ALA 40 -1.091 3.865 0.472
328 HB2 ALA 40 1HB ALA 40 -2.197 2.720 -0.286
329 HB3 ALA 40 2HB ALA 40 -2.808 3.900 0.873
330 H SER 41 H SER 41 -0.315 6.114 -1.617
331 HA SER 41 HA SER 41 0.297 4.667 -4.084
332 HB2 SER 41 1HB SER 41 0.155 7.191 -4.042
333 HB3 SER 41 2HB SER 41 1.592 7.190 -3.022
334 HG SER 41 HG SER 41 2.690 7.072 -4.804
335 H PHE 42 H PHE 42 1.711 3.067 -3.994
336 HA PHE 42 HA PHE 42 3.693 3.026 -1.826
337 HB2 PHE 42 1HB PHE 42 2.729 0.806 -3.645
338 HB3 PHE 42 2HB PHE 42 3.937 0.620 -2.379
339 HD1 PHE 42 HD1 PHE 42 3.285 0.798 -0.013
340 HD2 PHE 42 HD2 PHE 42 0.404 0.890 -3.142
341 HE1 PHE 42 HE1 PHE 42 1.505 0.316 1.616
342 HE2 PHE 42 HE2 PHE 42 -1.381 0.410 -1.519
343 HZ PHE 42 HZ PHE 42 -0.831 0.122 0.863
344 H LYS 43 H LYS 43 5.664 3.642 -2.295
345 HA LYS 43 HA LYS 43 6.537 3.676 -5.090
346 HB2 LYS 43 1HB LYS 43 6.654 5.791 -3.831
347 HB3 LYS 43 2HB LYS 43 7.711 5.030 -2.651
348 HG2 LYS 43 1HG LYS 43 9.445 4.765 -4.282
349 HG3 LYS 43 2HG LYS 43 8.380 5.337 -5.568
350 HD2 LYS 43 1HD LYS 43 8.232 7.523 -4.424
351 HD3 LYS 43 2HD LYS 43 9.370 6.938 -3.208
352 HE2 LYS 43 1HE LYS 43 11.077 6.645 -4.905
353 HE3 LYS 43 2HE LYS 43 9.941 7.121 -6.166
354 HZ1 LYS 43 3HZ LYS 43 9.778 9.308 -5.078
355 HZ2 LYS 43 1HZ LYS 43 11.345 8.965 -5.622
356 HZ3 LYS 43 2HZ LYS 43 10.973 8.838 -3.972
357 HA PRO 44 HA PRO 44 8.992 0.052 -4.253
358 HB2 PRO 44 1HB PRO 44 10.345 0.778 -6.770
359 HB3 PRO 44 2HB PRO 44 9.461 -0.692 -6.353
360 HG2 PRO 44 1HG PRO 44 8.451 1.111 -8.057
361 HG3 PRO 44 2HG PRO 44 7.417 0.212 -6.930
362 HD2 PRO 44 1HD PRO 44 8.429 3.026 -6.745
363 HD3 PRO 44 2HD PRO 44 6.821 2.378 -6.352
364 H LEU 45 H LEU 45 10.892 -0.290 -3.281
365 HA LEU 45 HA LEU 45 12.520 1.840 -2.442
366 HB2 LEU 45 1HB LEU 45 13.077 -1.127 -2.480
367 HB3 LEU 45 2HB LEU 45 14.019 0.057 -1.595
368 HG LEU 45 HG LEU 45 11.086 -0.424 -1.093
369 HD11 LEU 45 1HD1 LEU 45 11.802 -1.711 0.863
370 HD12 LEU 45 2HD1 LEU 45 13.479 -1.579 0.330
371 HD13 LEU 45 3HD1 LEU 45 12.310 -2.471 -0.647
372 HD21 LEU 45 3HD2 LEU 45 13.239 0.978 0.488
373 HD22 LEU 45 1HD2 LEU 45 11.579 0.717 1.024
374 HD23 LEU 45 2HD2 LEU 45 11.903 1.746 -0.373
375 H ASN 46 H ASN 46 12.767 -0.368 -5.134
376 HA ASN 46 HA ASN 46 15.523 0.453 -5.657
377 HB2 ASN 46 1HB ASN 46 14.110 -1.623 -7.282
378 HB3 ASN 46 2HB ASN 46 15.805 -1.538 -6.814
379 HD21 ASN 46 2HD2 ASN 46 16.414 -2.226 -4.738
380 HD22 ASN 46 1HD2 ASN 46 15.382 -3.248 -3.785
381 H GLY 47 H GLY 47 13.115 2.092 -6.178
382 HA2 GLY 47 1HA GLY 47 12.585 3.652 -7.814
383 HA3 GLY 47 2HA GLY 47 13.745 2.875 -8.884
384 H GLY 48 H GLY 48 10.988 3.789 -9.412
385 HA2 GLY 48 1HA GLY 48 10.049 2.127 -11.242
386 HA3 GLY 48 2HA GLY 48 9.550 1.274 -9.789
387 H LEU 49 H LEU 49 7.464 1.670 -10.979
388 HA LEU 49 HA LEU 49 6.394 4.348 -10.870
389 HB2 LEU 49 1HB LEU 49 5.046 1.722 -11.503
390 HB3 LEU 49 2HB LEU 49 4.354 3.314 -11.754
391 HG LEU 49 HG LEU 49 6.809 2.257 -13.159
392 HD11 LEU 49 1HD1 LEU 49 3.975 2.587 -14.131
393 HD12 LEU 49 2HD1 LEU 49 4.817 1.061 -13.855
394 HD13 LEU 49 3HD1 LEU 49 5.360 2.149 -15.132
395 HD21 LEU 49 3HD2 LEU 49 5.200 4.773 -13.583
396 HD22 LEU 49 1HD2 LEU 49 6.551 4.230 -14.578
397 HD23 LEU 49 2HD2 LEU 49 6.821 4.683 -12.895
398 H GLU 50 H GLU 50 4.675 5.034 -9.589
399 HA GLU 50 HA GLU 50 4.586 3.808 -6.971
400 HB2 GLU 50 1HB GLU 50 3.359 6.315 -8.111
401 HB3 GLU 50 2HB GLU 50 3.033 5.760 -6.477
402 HG2 GLU 50 1HG GLU 50 5.408 5.916 -5.944
403 HG3 GLU 50 2HG GLU 50 5.738 6.470 -7.585
404 H LYS 51 H LYS 51 3.301 2.171 -6.605
405 HA LYS 51 HA LYS 51 0.962 1.693 -8.236
406 HB2 LYS 51 1HB LYS 51 2.230 0.170 -5.962
407 HB3 LYS 51 2HB LYS 51 0.728 -0.334 -6.720
408 HG2 LYS 51 1HG LYS 51 1.876 -0.554 -8.863
409 HG3 LYS 51 2HG LYS 51 3.386 -0.037 -8.108
410 HD2 LYS 51 1HD LYS 51 3.416 -1.975 -6.698
411 HD3 LYS 51 2HD LYS 51 1.801 -2.446 -7.227
412 HE2 LYS 51 1HE LYS 51 3.508 -3.804 -8.311
413 HE3 LYS 51 2HE LYS 51 2.643 -2.816 -9.487
414 HZ1 LYS 51 3HZ LYS 51 4.461 -1.341 -9.655
415 HZ2 LYS 51 1HZ LYS 51 5.108 -2.905 -9.764
416 HZ3 LYS 51 2HZ LYS 51 5.251 -2.028 -8.319
417 H THR 52 H THR 52 -0.869 2.698 -7.814
418 HA THR 52 HA THR 52 -1.451 3.549 -5.077
419 HB THR 52 HB THR 52 -2.913 4.283 -7.622
420 HG1 THR 52 HG1 THR 52 -0.484 5.007 -6.834
421 HG21 THR 52 3HG2 THR 52 -4.208 4.611 -5.561
422 HG22 THR 52 1HG2 THR 52 -3.771 6.153 -6.297
423 HG23 THR 52 2HG2 THR 52 -2.889 5.567 -4.886
424 H PHE 53 H PHE 53 -2.596 2.173 -3.896
425 HA PHE 53 HA PHE 53 -4.751 0.638 -5.203
426 HB2 PHE 53 1HB PHE 53 -3.141 -0.091 -2.743
427 HB3 PHE 53 2HB PHE 53 -4.481 -1.030 -3.394
428 HD1 PHE 53 HD1 PHE 53 -4.203 -1.618 -5.975
429 HD2 PHE 53 HD2 PHE 53 -1.020 -0.754 -3.290
430 HE1 PHE 53 HE1 PHE 53 -2.646 -2.844 -7.433
431 HE2 PHE 53 HE2 PHE 53 0.543 -1.975 -4.744
432 HZ PHE 53 HZ PHE 53 -0.269 -3.022 -6.820
433 H ARG 54 H ARG 54 -6.723 0.396 -4.015
434 HA ARG 54 HA ARG 54 -7.293 2.826 -2.523
435 HB2 ARG 54 1HB ARG 54 -8.702 2.024 -4.443
436 HB3 ARG 54 2HB ARG 54 -9.218 0.686 -3.429
437 HG2 ARG 54 1HG ARG 54 -10.486 2.032 -2.062
438 HG3 ARG 54 2HG ARG 54 -9.555 3.483 -2.451
439 HD2 ARG 54 1HD ARG 54 -11.471 2.033 -4.276
440 HD3 ARG 54 2HD ARG 54 -11.741 3.594 -3.497
441 HE ARG 54 HE ARG 54 -9.564 4.168 -4.845
442 HH11 ARG 54 1HH1 ARG 54 -12.362 2.355 -5.920
443 HH12 ARG 54 2HH1 ARG 54 -12.097 2.701 -7.603
444 HH21 ARG 54 1HH2 ARG 54 -9.206 4.634 -7.022
445 HH22 ARG 54 2HH2 ARG 54 -10.308 4.021 -8.234
446 H LEU 55 H LEU 55 -7.598 2.948 -0.413
447 HA LEU 55 HA LEU 55 -7.938 0.473 1.140
448 HB2 LEU 55 1HB LEU 55 -5.915 2.661 1.602
449 HB3 LEU 55 2HB LEU 55 -6.339 1.472 2.821
450 HG LEU 55 HG LEU 55 -5.093 0.861 0.137
451 HD11 LEU 55 1HD1 LEU 55 -3.548 1.973 1.659
452 HD12 LEU 55 2HD1 LEU 55 -3.114 0.277 1.442
453 HD13 LEU 55 3HD1 LEU 55 -3.928 0.797 2.917
454 HD21 LEU 55 3HD2 LEU 55 -4.863 -1.412 1.006
455 HD22 LEU 55 1HD2 LEU 55 -6.557 -0.932 0.908
456 HD23 LEU 55 2HD2 LEU 55 -5.733 -0.945 2.467
457 H GLN 56 H GLN 56 -9.327 0.615 2.794
458 HA GLN 56 HA GLN 56 -10.849 3.045 3.151
459 HB2 GLN 56 1HB GLN 56 -11.033 0.471 4.726
460 HB3 GLN 56 2HB GLN 56 -12.262 1.722 4.586
461 HG2 GLN 56 1HG GLN 56 -12.603 1.202 2.268
462 HG3 GLN 56 2HG GLN 56 -11.267 0.053 2.292
463 HE21 GLN 56 2HE2 GLN 56 -14.013 -0.391 1.575
464 HE22 GLN 56 1HE2 GLN 56 -14.597 -1.629 2.634
465 H ALA 57 H ALA 57 -11.387 3.616 5.566
466 HA ALA 57 HA ALA 57 -9.064 4.711 6.690
467 HB1 ALA 57 3HB ALA 57 -11.730 4.240 8.019
468 HB2 ALA 57 1HB ALA 57 -11.286 5.650 7.057
469 HB3 ALA 57 2HB ALA 57 -10.469 5.333 8.588
470 H GLN 58 H GLN 58 -10.965 1.884 7.700
471 HA GLN 58 HA GLN 58 -9.380 1.184 9.921
472 HB2 GLN 58 1HB GLN 58 -11.199 -0.448 8.154
473 HB3 GLN 58 2HB GLN 58 -10.406 -1.109 9.576
474 HG2 GLN 58 1HG GLN 58 -11.587 0.359 11.020
475 HG3 GLN 58 2HG GLN 58 -12.204 1.297 9.660
476 HE21 GLN 58 2HE2 GLN 58 -13.608 -0.130 11.822
477 HE22 GLN 58 1HE2 GLN 58 -14.696 -1.216 11.021
478 H GLN 59 H GLN 59 -9.060 0.500 6.506
479 HA GLN 59 HA GLN 59 -7.071 -1.549 6.868
480 HB2 GLN 59 1HB GLN 59 -7.834 -0.032 4.366
481 HB3 GLN 59 2HB GLN 59 -6.883 -1.508 4.433
482 HG2 GLN 59 1HG GLN 59 -8.785 -2.743 5.259
483 HG3 GLN 59 2HG GLN 59 -9.748 -1.267 5.326
484 HE21 GLN 59 2HE2 GLN 59 -10.295 -3.697 3.863
485 HE22 GLN 59 1HE2 GLN 59 -10.393 -3.247 2.193
486 H TYR 60 H TYR 60 -7.122 1.857 5.947
487 HA TYR 60 HA TYR 60 -4.423 2.183 5.324
488 HB2 TYR 60 1HB TYR 60 -6.009 3.906 4.768
489 HB3 TYR 60 2HB TYR 60 -6.440 4.131 6.459
490 HD1 TYR 60 HD1 TYR 60 -3.746 4.635 3.971
491 HD2 TYR 60 HD2 TYR 60 -5.189 5.573 7.862
492 HE1 TYR 60 HE1 TYR 60 -2.035 6.391 4.177
493 HE2 TYR 60 HE2 TYR 60 -3.488 7.332 8.078
494 HH TYR 60 HH TYR 60 -1.165 7.759 7.056
495 H HIS 61 H HIS 61 -6.067 2.166 8.440
496 HA HIS 61 HA HIS 61 -3.687 3.075 9.806
497 HB2 HIS 61 1HB HIS 61 -6.457 2.395 10.709
498 HB3 HIS 61 2HB HIS 61 -5.152 2.547 11.884
499 HD1 HIS 61 HD1 HIS 61 -3.659 4.943 11.186
500 HD2 HIS 61 HD2 HIS 61 -7.770 4.750 10.567
501 HE1 HIS 61 HE1 HIS 61 -4.443 7.332 11.087
502 HE2 HIS 61 HE2 HIS 61 -6.889 7.185 10.479
503 H ALA 62 H ALA 62 -3.876 0.414 8.347
504 HA ALA 62 HA ALA 62 -2.847 -1.255 10.526
505 HB1 ALA 62 3HB ALA 62 -3.263 -1.902 7.604
506 HB2 ALA 62 1HB ALA 62 -4.343 -2.344 8.927
507 HB3 ALA 62 2HB ALA 62 -2.723 -3.036 8.843
508 H LEU 63 H LEU 63 -1.873 1.025 8.291
509 HA LEU 63 HA LEU 63 0.935 0.355 8.684
510 HB2 LEU 63 1HB LEU 63 1.473 0.761 6.320
511 HB3 LEU 63 2HB LEU 63 0.447 -0.643 6.533
512 HG LEU 63 HG LEU 63 -0.716 2.025 5.762
513 HD11 LEU 63 1HD1 LEU 63 -0.573 1.320 3.428
514 HD12 LEU 63 2HD1 LEU 63 0.352 -0.102 3.912
515 HD13 LEU 63 3HD1 LEU 63 1.030 1.510 4.140
516 HD21 LEU 63 3HD2 LEU 63 -2.271 0.295 6.515
517 HD22 LEU 63 1HD2 LEU 63 -1.611 -0.824 5.322
518 HD23 LEU 63 2HD2 LEU 63 -2.470 0.622 4.792
519 H THR 64 H THR 64 2.318 2.239 7.767
520 HA THR 64 HA THR 64 0.949 4.782 8.370
521 HB THR 64 HB THR 64 3.864 4.382 8.958
522 HG1 THR 64 HG1 THR 64 3.346 2.925 10.397
523 HG21 THR 64 3HG2 THR 64 2.923 6.635 9.092
524 HG22 THR 64 1HG2 THR 64 3.406 6.062 10.688
525 HG23 THR 64 2HG2 THR 64 1.703 6.066 10.232
526 H VAL 65 H VAL 65 1.700 6.640 7.200
527 HA VAL 65 HA VAL 65 2.941 6.160 4.671
528 HB VAL 65 HB VAL 65 2.328 8.723 6.151
529 HG11 VAL 65 1HG1 VAL 65 4.317 9.090 4.777
530 HG12 VAL 65 2HG1 VAL 65 2.920 9.926 4.100
531 HG13 VAL 65 3HG1 VAL 65 3.480 8.420 3.375
532 HG21 VAL 65 3HG2 VAL 65 0.407 7.502 5.278
533 HG22 VAL 65 1HG2 VAL 65 1.151 7.457 3.679
534 HG23 VAL 65 2HG2 VAL 65 0.658 8.999 4.379
535 H GLY 66 H GLY 66 5.029 5.951 4.250
536 HA2 GLY 66 1HA GLY 66 7.339 6.387 4.498
537 HA3 GLY 66 2HA GLY 66 7.017 7.074 6.085
538 H ASP 67 H ASP 67 5.219 4.407 6.099
539 HA ASP 67 HA ASP 67 7.095 2.958 7.728
540 HB2 ASP 67 1HB ASP 67 4.386 3.146 7.760
541 HB3 ASP 67 2HB ASP 67 4.582 1.629 6.894
542 H GLN 68 H GLN 68 8.736 2.380 6.309
543 HA GLN 68 HA GLN 68 8.354 0.946 3.908
544 HB2 GLN 68 1HB GLN 68 10.711 0.938 5.807
545 HB3 GLN 68 2HB GLN 68 10.727 0.274 4.179
546 HG2 GLN 68 1HG GLN 68 10.289 2.496 3.267
547 HG3 GLN 68 2HG GLN 68 10.276 3.161 4.900
548 HE21 GLN 68 2HE2 GLN 68 12.018 3.791 2.644
549 HE22 GLN 68 1HE2 GLN 68 13.636 3.480 3.180
550 H GLY 69 H GLY 69 7.611 -1.054 3.636
551 HA2 GLY 69 1HA GLY 69 8.277 -3.166 5.480
552 HA3 GLY 69 2HA GLY 69 6.594 -2.666 5.564
553 H THR 70 H THR 70 6.777 -5.133 4.957
554 HA THR 70 HA THR 70 7.351 -5.694 2.205
555 HB THR 70 HB THR 70 5.894 -7.479 4.157
556 HG1 THR 70 HG1 THR 70 7.736 -7.813 5.171
557 HG21 THR 70 3HG2 THR 70 5.957 -8.246 1.831
558 HG22 THR 70 1HG2 THR 70 6.949 -9.275 2.865
559 HG23 THR 70 2HG2 THR 70 7.713 -8.078 1.819
560 H LEU 71 H LEU 71 5.939 -5.977 0.546
561 HA LEU 71 HA LEU 71 3.094 -5.457 1.102
562 HB2 LEU 71 1HB LEU 71 4.215 -3.667 -0.177
563 HB3 LEU 71 2HB LEU 71 4.687 -4.839 -1.392
564 HG LEU 71 HG LEU 71 2.270 -5.246 -1.862
565 HD11 LEU 71 1HD1 LEU 71 1.353 -4.530 0.271
566 HD12 LEU 71 2HD1 LEU 71 0.644 -3.607 -1.054
567 HD13 LEU 71 3HD1 LEU 71 1.887 -2.878 -0.038
568 HD21 LEU 71 3HD2 LEU 71 3.587 -3.750 -3.258
569 HD22 LEU 71 1HD2 LEU 71 3.233 -2.405 -2.173
570 HD23 LEU 71 2HD2 LEU 71 1.933 -3.160 -3.096
571 H SER 72 H SER 72 1.915 -7.207 0.877
572 HA SER 72 HA SER 72 2.854 -9.406 -0.797
573 HB2 SER 72 1HB SER 72 0.863 -10.586 0.312
574 HB3 SER 72 2HB SER 72 2.225 -10.158 1.346
575 HG SER 72 HG SER 72 0.273 -8.219 1.113
576 H TYR 73 H TYR 73 2.279 -9.338 -2.839
577 HA TYR 73 HA TYR 73 -0.520 -8.794 -3.495
578 HB2 TYR 73 1HB TYR 73 0.172 -7.425 -5.444
579 HB3 TYR 73 2HB TYR 73 0.615 -6.683 -3.913
580 HD1 TYR 73 HD2 TYR 73 2.954 -6.478 -3.258
581 HD2 TYR 73 HD1 TYR 73 1.876 -8.259 -6.971
582 HE1 TYR 73 HE2 TYR 73 5.278 -6.263 -4.031
583 HE2 TYR 73 HE1 TYR 73 4.198 -8.048 -7.754
584 HH TYR 73 HH TYR 73 6.776 -7.346 -5.692
585 H LYS 74 H LYS 74 -1.035 -9.505 -5.735
586 HA LYS 74 HA LYS 74 0.788 -11.617 -6.680
587 HB2 LYS 74 1HB LYS 74 -2.239 -11.725 -6.648
588 HB3 LYS 74 2HB LYS 74 -1.191 -12.927 -7.385
589 HG2 LYS 74 1HG LYS 74 -0.209 -13.367 -5.151
590 HG3 LYS 74 2HG LYS 74 -1.389 -12.254 -4.458
591 HD2 LYS 74 1HD LYS 74 -3.208 -13.661 -5.313
592 HD3 LYS 74 2HD LYS 74 -2.021 -14.778 -5.990
593 HE2 LYS 74 1HE LYS 74 -1.138 -15.147 -3.701
594 HE3 LYS 74 2HE LYS 74 -2.429 -14.123 -3.074
595 HZ1 LYS 74 3HZ LYS 74 -4.033 -15.694 -4.074
596 HZ2 LYS 74 1HZ LYS 74 -3.072 -16.401 -2.870
597 HZ3 LYS 74 2HZ LYS 74 -2.744 -16.706 -4.505
598 H GLY 75 H GLY 75 1.701 -10.365 -8.265
599 HA2 GLY 75 1HA GLY 75 1.852 -9.382 -10.344
600 HA3 GLY 75 2HA GLY 75 0.199 -9.907 -10.648
601 H THR 76 H THR 76 -1.238 -8.336 -10.895
602 HA THR 76 HA THR 76 -0.609 -5.658 -9.927
603 HB THR 76 HB THR 76 -2.725 -5.079 -11.246
604 HG1 THR 76 HG1 THR 76 -3.722 -6.655 -12.265
605 HG21 THR 76 3HG2 THR 76 -1.546 -5.177 -13.406
606 HG22 THR 76 1HG2 THR 76 -0.365 -6.283 -12.701
607 HG23 THR 76 2HG2 THR 76 -0.487 -4.627 -12.107
608 H ARG 77 H ARG 77 -2.099 -8.319 -8.712
609 HA ARG 77 HA ARG 77 -4.443 -7.001 -7.607
610 HB2 ARG 77 1HB ARG 77 -3.430 -9.837 -7.360
611 HB3 ARG 77 2HB ARG 77 -4.932 -9.251 -6.655
612 HG2 ARG 77 1HG ARG 77 -5.853 -8.810 -8.805
613 HG3 ARG 77 2HG ARG 77 -4.311 -9.142 -9.591
614 HD2 ARG 77 1HD ARG 77 -4.448 -11.473 -8.901
615 HD3 ARG 77 2HD ARG 77 -5.969 -11.148 -8.066
616 HE ARG 77 HE ARG 77 -6.781 -10.460 -10.384
617 HH11 ARG 77 1HH1 ARG 77 -4.405 -12.981 -9.815
618 HH12 ARG 77 2HH1 ARG 77 -4.762 -13.817 -11.295
619 HH21 ARG 77 1HH2 ARG 77 -7.244 -11.563 -12.325
620 HH22 ARG 77 2HH2 ARG 77 -6.369 -13.010 -12.722
621 H PHE 78 H PHE 78 -4.200 -5.779 -5.877
622 HA PHE 78 HA PHE 78 -2.128 -6.135 -3.939
623 HB2 PHE 78 1HB PHE 78 -3.002 -3.919 -4.339
624 HB3 PHE 78 2HB PHE 78 -4.635 -4.442 -3.950
625 HD1 PHE 78 HD1 PHE 78 -1.277 -3.858 -2.513
626 HD2 PHE 78 HD2 PHE 78 -5.426 -4.405 -1.741
627 HE1 PHE 78 HE1 PHE 78 -0.927 -3.190 -0.172
628 HE2 PHE 78 HE2 PHE 78 -5.081 -3.740 0.602
629 HZ PHE 78 HZ PHE 78 -2.829 -3.130 1.389
630 H VAL 79 H VAL 79 -2.115 -7.483 -2.250
631 HA VAL 79 HA VAL 79 -4.669 -8.706 -1.465
632 HB VAL 79 HB VAL 79 -1.860 -9.723 -0.994
633 HG11 VAL 79 1HG1 VAL 79 -2.964 -11.795 -0.271
634 HG12 VAL 79 2HG1 VAL 79 -4.534 -11.007 -0.432
635 HG13 VAL 79 3HG1 VAL 79 -3.376 -10.432 0.769
636 HG21 VAL 79 3HG2 VAL 79 -3.988 -10.648 -2.928
637 HG22 VAL 79 1HG2 VAL 79 -2.437 -11.439 -2.652
638 HG23 VAL 79 2HG2 VAL 79 -2.489 -9.820 -3.348
639 H GLY 80 H GLY 80 -1.616 -7.484 -0.054
640 HA2 GLY 80 1HA GLY 80 -2.959 -6.016 1.958
641 HA3 GLY 80 2HA GLY 80 -2.415 -7.550 2.621
642 H PHE 81 H PHE 81 -1.380 -5.532 3.860
643 HA PHE 81 HA PHE 81 1.347 -5.258 2.785
644 HB2 PHE 81 1HB PHE 81 0.081 -3.112 2.671
645 HB3 PHE 81 2HB PHE 81 -0.167 -3.195 4.410
646 HD1 PHE 81 HD1 PHE 81 2.291 -2.654 1.746
647 HD2 PHE 81 HD2 PHE 81 1.596 -2.650 5.943
648 HE1 PHE 81 HE1 PHE 81 4.409 -1.454 2.091
649 HE2 PHE 81 HE2 PHE 81 3.713 -1.451 6.296
650 HZ PHE 81 HZ PHE 81 5.123 -0.851 4.369
651 H VAL 82 H VAL 82 2.971 -5.760 4.190
652 HA VAL 82 HA VAL 82 2.179 -6.444 6.945
653 HB VAL 82 HB VAL 82 4.041 -8.072 5.200
654 HG11 VAL 82 1HG1 VAL 82 4.043 -9.668 7.057
655 HG12 VAL 82 2HG1 VAL 82 3.054 -8.559 8.008
656 HG13 VAL 82 3HG1 VAL 82 4.694 -8.103 7.546
657 HG21 VAL 82 3HG2 VAL 82 2.316 -9.810 5.307
658 HG22 VAL 82 1HG2 VAL 82 1.722 -8.352 4.515
659 HG23 VAL 82 2HG2 VAL 82 1.257 -8.702 6.180
660 H SER 83 H SER 83 3.116 -4.685 7.919
661 HA SER 83 HA SER 83 5.924 -4.105 7.456
662 HB2 SER 83 1HB SER 83 4.343 -2.266 7.981
663 HB3 SER 83 2HB SER 83 4.023 -3.002 9.550
664 HG SER 83 HG SER 83 5.821 -1.232 9.099
665 H ARG 84 H ARG 84 7.534 -4.308 9.159
666 HA ARG 84 HA ARG 84 7.520 -6.829 10.391
667 HB2 ARG 84 1HB ARG 84 9.217 -4.424 11.076
668 HB3 ARG 84 2HB ARG 84 9.536 -6.072 11.594
669 HG2 ARG 84 1HG ARG 84 9.683 -6.693 9.164
670 HG3 ARG 84 2HG ARG 84 9.640 -4.965 8.805
671 HD2 ARG 84 1HD ARG 84 11.619 -4.677 10.292
672 HD3 ARG 84 2HD ARG 84 11.698 -6.431 10.451
673 HE ARG 84 HE ARG 84 12.571 -4.848 8.227
674 HH11 ARG 84 1HH1 ARG 84 11.433 -8.023 9.194
675 HH12 ARG 84 2HH1 ARG 84 12.132 -8.830 7.814
676 HH21 ARG 84 1HH2 ARG 84 13.495 -5.889 6.435
677 HH22 ARG 84 2HH2 ARG 84 13.313 -7.614 6.243
678 H THR 85 H THR 85 7.134 -3.613 11.794
679 HA THR 85 HA THR 85 5.263 -4.627 13.734
680 HB THR 85 HB THR 85 7.856 -3.376 14.689
681 HG1 THR 85 HG1 THR 85 7.043 -5.967 14.344
682 HG21 THR 85 3HG2 THR 85 5.452 -4.319 16.263
683 HG22 THR 85 1HG2 THR 85 5.929 -2.639 16.014
684 HG23 THR 85 2HG2 THR 85 6.965 -3.721 16.945
685 HA PRO 86 HA PRO 86 4.178 -0.423 12.372
686 HB2 PRO 86 1HB PRO 86 1.456 -1.240 13.023
687 HB3 PRO 86 2HB PRO 86 2.133 -0.780 11.460
688 HG2 PRO 86 1HG PRO 86 1.371 -3.319 12.047
689 HG3 PRO 86 2HG PRO 86 2.681 -2.941 10.914
690 HD2 PRO 86 1HD PRO 86 2.840 -3.823 13.772
691 HD3 PRO 86 2HD PRO 86 3.837 -4.311 12.384
692 H ASP 87 H ASP 87 3.070 1.354 13.469
693 HA ASP 87 HA ASP 87 3.666 1.561 16.193
694 HB2 ASP 87 1HB ASP 87 1.838 3.190 14.429
695 HB3 ASP 87 2HB ASP 87 2.129 3.596 16.117
696 H ASN 88 H ASN 88 0.965 0.160 14.641
697 HA ASN 88 HA ASN 88 -0.970 0.344 16.691
698 HB2 ASN 88 1HB ASN 88 -1.322 -0.379 14.276
699 HB3 ASN 88 2HB ASN 88 -0.638 -1.934 14.727
700 HD21 ASN 88 2HD2 ASN 88 -3.248 -1.374 13.694
701 HD22 ASN 88 1HD2 ASN 88 -4.391 -1.904 14.876
702 H GLU 89 H GLU 89 1.741 -1.801 16.115
703 HA GLU 89 HA GLU 89 0.869 -3.720 18.098
704 HB2 GLU 89 1HB GLU 89 2.005 -4.344 15.934
705 HB3 GLU 89 2HB GLU 89 3.485 -3.660 16.594
706 HG2 GLU 89 1HG GLU 89 3.468 -5.272 18.391
707 HG3 GLU 89 2HG GLU 89 1.930 -5.922 17.824
708 H LEU 90 H LEU 90 2.611 -0.838 18.098
709 HA LEU 90 HA LEU 90 4.455 -1.381 20.199
710 HB2 LEU 90 1HB LEU 90 3.228 1.232 19.315
711 HB3 LEU 90 2HB LEU 90 4.562 1.082 20.443
712 HG LEU 90 HG LEU 90 4.602 0.292 17.530
713 HD11 LEU 90 1HD1 LEU 90 5.966 2.528 19.018
714 HD12 LEU 90 2HD1 LEU 90 4.622 2.699 17.889
715 HD13 LEU 90 3HD1 LEU 90 6.190 2.132 17.315
716 HD21 LEU 90 3HD2 LEU 90 5.990 -1.207 18.847
717 HD22 LEU 90 1HD2 LEU 90 6.771 0.170 19.624
718 HD23 LEU 90 2HD2 LEU 90 6.997 -0.113 17.898
719 H GLU 91 H GLU 91 1.096 -0.793 20.041
720 HA GLU 91 HA GLU 91 0.616 -0.046 22.725
721 HB2 GLU 91 1HB GLU 91 -0.985 0.061 20.747
722 HB3 GLU 91 2HB GLU 91 -1.184 -1.674 20.913
723 HG2 GLU 91 1HG GLU 91 -1.744 0.189 23.189
724 HG3 GLU 91 2HG GLU 91 -2.944 -0.140 21.941
725 H HIS 92 H HIS 92 0.840 -1.246 24.525
726 HA HIS 92 HA HIS 92 2.130 -3.788 24.250
727 HB2 HIS 92 1HB HIS 92 1.394 -2.113 26.639
728 HB3 HIS 92 2HB HIS 92 2.181 -3.682 26.791
729 HD1 HIS 92 HD1 HIS 92 2.785 -0.211 25.443
730 HD2 HIS 92 HD2 HIS 92 4.894 -3.684 26.313
731 HE1 HIS 92 HE1 HIS 92 5.216 0.396 25.211
732 HE2 HIS 92 HE2 HIS 92 6.463 -1.771 25.557
733 H HIS 93 H HIS 93 -1.023 -3.171 24.068
734 HA HIS 93 HA HIS 93 -2.856 -4.492 24.056
735 HB2 HIS 93 1HB HIS 93 -0.905 -6.747 24.581
736 HB3 HIS 93 2HB HIS 93 -2.570 -6.930 24.042
737 HD1 HIS 93 HD1 HIS 93 -2.114 -4.376 21.975
738 HD2 HIS 93 HD2 HIS 93 -0.018 -7.967 22.205
739 HE1 HIS 93 HE1 HIS 93 -1.093 -4.721 19.699
740 HE2 HIS 93 HE2 HIS 93 0.345 -6.781 19.939
741 H HIS 94 H HIS 94 -2.238 -3.165 26.401
742 HA HIS 94 HA HIS 94 -2.369 -4.863 28.678
743 HB2 HIS 94 1HB HIS 94 -2.906 -2.746 29.926
744 HB3 HIS 94 2HB HIS 94 -1.422 -2.695 28.987
745 HD1 HIS 94 HD1 HIS 94 -1.130 -0.658 27.638
746 HD2 HIS 94 HD2 HIS 94 -5.144 -1.416 28.426
747 HE1 HIS 94 HE1 HIS 94 -2.398 1.260 26.618
748 HE2 HIS 94 HE2 HIS 94 -4.829 0.678 26.942
749 H HIS 95 H HIS 95 -4.763 -3.697 26.502
750 HA HIS 95 HA HIS 95 -6.827 -4.917 28.176
751 HB2 HIS 95 1HB HIS 95 -6.744 -2.420 28.589
752 HB3 HIS 95 2HB HIS 95 -7.219 -2.200 26.910
753 HD1 HIS 95 HD1 HIS 95 -8.513 -3.330 30.230
754 HD2 HIS 95 HD2 HIS 95 -9.919 -2.700 26.365
755 HE1 HIS 95 HE1 HIS 95 -11.025 -3.391 30.398
756 HE2 HIS 95 HE2 HIS 95 -11.853 -2.852 28.080
757 H HIS 96 H HIS 96 -6.461 -6.559 26.480
758 HA HIS 96 HA HIS 96 -8.328 -6.058 24.272
759 HB2 HIS 96 1HB HIS 96 -5.546 -7.188 23.990
760 HB3 HIS 96 2HB HIS 96 -6.808 -7.526 22.814
761 HD1 HIS 96 HD1 HIS 96 -7.389 -5.681 21.139
762 HD2 HIS 96 HD2 HIS 96 -4.602 -4.527 24.002
763 HE1 HIS 96 HE1 HIS 96 -6.445 -3.497 20.327
764 HE2 HIS 96 HE2 HIS 96 -4.597 -2.954 21.954
765 H HIS 97 H HIS 97 -6.329 -8.526 25.855
766 HA HIS 97 HA HIS 97 -6.656 -10.709 26.341
767 HB2 HIS 97 1HB HIS 97 -9.521 -9.769 26.479
768 HB3 HIS 97 2HB HIS 97 -9.051 -11.424 26.843
769 HD1 HIS 97 HD1 HIS 97 -10.148 -8.901 28.736
770 HD2 HIS 97 HD2 HIS 97 -6.463 -10.834 28.733
771 HE1 HIS 97 HE1 HIS 97 -9.182 -8.531 31.030
772 HE2 HIS 97 HE2 HIS 97 -7.060 -9.894 31.068
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